A0A077ZDI5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 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
1M40.4Very low30.5Very low245 Ų245156.7 Ų156.7100%1.20780%0.802SS**  0104.50-77.8-173.1169.100107.7
2D37.2Very low30Very low162 Ų162152.2 Ų152.287%0.86679%0.788SS**  trans43.986.1160.7-59.7-6.2000120.9
3N33.5Very low29.7Very low151 Ų151150.9 Ų150.981%0.80777%0.773SS**  trans-83.2107.5160.9-162.99.1000108.7
4K36.5Very low29.4Very low202 Ų202151 Ų15188%0.87878%0.775SS**  trans-109.4104.6169-95-176.3179175.80109.2
5T33.2Very low29.4Very low124 Ų124148.3 Ų148.376%0.76178%0.784SS**  trans-83.6108.1176-14.20000109
6E30.6Very low29.2Very low166 Ų166147.6 Ų147.678%0.77678%0.781SS**  trans-77.6119.9163.8-78-172.6148.800109.1K8E6-K8 PolarHBondContact O-N 3.39Å
7Q25.2Very low29.1Very low191 Ų191146.8 Ų146.889%0.89378%0.777SS**  trans-82.4102.3166.1-89.7-179.9-28.600109.1
8K24.9Very low29.1Very low172 Ų172144.2 Ų144.275%0.74877%0.773SS**  trans-83.2116.8162.8-81.2178.5177.3174.10108.7E6 V10E6-K8 PolarHBondContact O-N 3.39Å; K8-V10 HydrophobicContact CB-CG2 4.37Å
9V24.3Very low28.9Very low127 Ų127142.5 Ų142.577%0.7777%0.773SS**  trans-90.8103.7165.6-178.10000107.2
10V25.1Very low28.9Very low106 Ų106146.1 Ų146.164%0.64278%0.775SS**  trans-100.9112.8173.2-179.20000106.8K8 T12K8-V10 HydrophobicContact CB-CG2 4.37Å; V10-T12 WeakPolarHBondContact CG1-OG1 3.3Å
11T24.8Very low28.9Very low78 Ų78146.3 Ų146.348%0.47978%0.782SS.*  trans-97.798.9172-41.90000108F13T11-F13 HydrophobicContact CG2-CD2 4.26Å; T11-F13 HydrophobicContact CG2-CE2 3.73Å; T11-F13 HydrophobicContact CG2-CZ 4.49Å
12T24.4Very low28.6Very low102 Ų102140.2 Ų140.263%0.62675%0.754SS**  trans-100.5119.3175.7-41.70000108.7V10V10-T12 WeakPolarHBondContact CG1-OG1 3.3Å
13F25.7Very low28.3Very low136 Ų136140.3 Ų140.360%0.59675%0.749SS**  trans-92.8108.3168.1-79-90.3000109.1T11 P86T11-F13 HydrophobicContact CG2-CD2 4.26Å; T11-F13 HydrophobicContact CG2-CE2 3.73Å; T11-F13 HydrophobicContact CG2-CZ 4.49Å; F13-P86 HydrophobicContact CD2-CG 4.24Å; F13-P86 HydrophobicContact CE2-CG 3.64Å; F13-P86 HydrophobicContact CZ-CG 4.3Å; F13-P86 WeakPolarHBondContact CZ-O 3.37Å
14L25.7Very low28.3Very low152 Ų152144.2 Ų144.280%0.79675%0.752SS**  trans-98.1107.5163.3-74.4166.8000107N16L14-N16 PolarHBondContact O-N 3.09Å
15A29.1Very low28.2Very low111 Ų111137.8 Ų137.892%0.91773%0.732SS**  trans-71.4107.6165.100000107.6
16N25.8Very low28.4Very low136 Ų136138.4 Ų138.473%0.72772%0.721SS**  trans-101.1128.7174.5-15948.8000109.3L14L14-N16 PolarHBondContact O-N 3.09Å
17D27.8Very low28.7Very low135 Ų135135.6 Ų135.672%0.72271%0.706SS**SBendtrans62.9135.5161.9-74.4-40000122.2
18S28.9Very low29.6Very low100 Ų100128.7 Ų128.770%0.69968%0.675SS**  trans90.3131.8158.674.30000118.8
19S26.5Very low30.3Very low112 Ų112123.7 Ų123.778%0.78367%0.666SS**  trans-55123.6-166.156.80000115.2
20W27.9Very low30.9Very low213 Ų213120.6 Ų120.681%0.80764%0.644SS**  trans-136.1118.2158.8-63.890.6000108.9I22W20-I22 HydrophobicContact CB-CD1 4.39Å; W20-I22 HydrophobicContact CB-CG1 4.08Å; W20-I22 PolarHBondContact O-N 2.79Å
21T28.8Very low31.5Very low151 Ų151118.8 Ų118.893%0.92663%0.634SS**  trans-67.695.8166.340.40000108
22I35.1Very low31.8Very low118 Ų118118.7 Ų118.761%0.60563%0.627SS**  trans-96.9107.8179.3-64.2172.5000108.3W20 F27W20-I22 HydrophobicContact CB-CD1 4.39Å; W20-I22 HydrophobicContact CB-CG1 4.08Å; W20-I22 PolarHBondContact O-N 2.79Å; I22-F27 HydrophobicContact CG2-CE2 4.07Å
23E30.9Very low32Very low163 Ų163120.7 Ų120.776%0.76263%0.633SS**  trans-78.5121.9174.2-144.4178.5178.900110.1S25E23-S25 PolarHBondContact O-N 3.5Å
24R33.5Very low32.4Very low233 Ų233118.4 Ų118.488%0.87963%0.63SS**SBendtrans39.165.1157.7-62.5-176.7177.1-174.11.1118.5
25S33.7Very low32.3Very low67 Ų67116.7 Ų116.747%0.46963%0.631SS.*  trans-125132163.5-64.80000111.5E23 F27E23-S25 PolarHBondContact O-N 3.5Å; S25-F27 WeakPolarHBondContact O-CD2 3.49Å; S25-F27 PolarHBondContact O-N 3.43Å
26R37Very low32.4Very low138 Ų138117.3 Ų117.352%0.52162%0.623SS.*  trans-70.2115170.7-71.5-173.4176.5177.50.4108.7D210 F274R26-D210 IonicContact NH1-OD2 2.76Å; R26-D210 PolarHBondContact NH1-OD2 3.2Å; R26-F274 VanDerWaalsContact CA-CE1 3.5Å; R26-F274 HydrophobicContact CB-CE1 4.25Å; R26-F274 HydrophobicContact CB-CE2 3.96Å; R26-F274 HydrophobicContact CB-CZ 3.58Å; R26-F274 HydrophobicContact CG-CD2 4.27Å; R26-F274 HydrophobicContact CG-CE1 4.4Å; R26-F274 HydrophobicContact CG-CE2 3.66Å; R26-F274 HydrophobicContact CG-CZ 3.76Å
27F38Very low32.5Very low106 Ų106117.3 Ų117.347%0.46563%0.628SS.*  trans-97.6126.5170.2-71.5-87.5000109.6I22 S25 F89I22-F27 HydrophobicContact CG2-CE2 4.07Å; S25-F27 WeakPolarHBondContact O-CD2 3.49Å; S25-F27 PolarHBondContact O-N 3.43Å; F27-F89 AromaticContact CD1-CD1 3.76Å; F27-F89 HydrophobicContact CD1-CD1 3.76Å; F27-F89 AromaticContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CE1-CD1 4.05Å; F27-F89 HydrophobicContact CE1-CE1 4.34Å
28I43.5Very low32.6Very low46 Ų46116.5 Ų116.524%0.23663%0.633CS.*  trans-123.7108.4174.4-52.4-177.6000107.1I30 F89 W245I28-I30 HydrophobicContact CG2-CG1 4.14Å; I28-F89 WeakPolarHBondContact O-CZ 3.5Å; I28-W245 HydrophobicContact CD1-CH2 3.19Å; I28-W245 HydrophobicContact CD1-CZ2 3.56Å; I28-W245 HydrophobicContact CD1-CZ3 3.76Å; I28-W245 HydrophobicContact CG1-CH2 4.29Å; I28-W245 HydrophobicContact CG2-CH2 3.77Å; I28-W245 HydrophobicContact CG2-CZ3 3.79Å
29A38.9Very low32.8Very low68 Ų68116.5 Ų116.556%0.56264%0.639SS**  trans-92.1103.5173.600000108.7T31A29-T31 PolarHBondContact O-N 3Å
30I37.9Very low33.1Very low61 Ų61118.1 Ų118.131%0.31364%0.644SS.*  trans-83.7112.4173-55.8176.3000107.5I28 F32I28-I30 HydrophobicContact CG2-CG1 4.14Å; I30-F32 HydrophobicContact CG2-CD2 4.37Å; I30-F32 HydrophobicContact CG2-CE1 4Å; I30-F32 HydrophobicContact CG2-CE2 3.77Å; I30-F32 HydrophobicContact CG2-CZ 3.57Å
31T37.2Very low33.5Very low68 Ų68114.9 Ų114.942%0.41765%0.649SS.*  trans-108.7122.3175.8-56.20000108.9A29A29-T31 PolarHBondContact O-N 3Å
32F31.6Very low33.8Very low77 Ų77112.3 Ų112.334%0.33864%0.637SS.*  trans-91.4125.2-178.3-63.4-84.3000111.4I30 T34 I84I30-F32 HydrophobicContact CG2-CD2 4.37Å; I30-F32 HydrophobicContact CG2-CE1 4Å; I30-F32 HydrophobicContact CG2-CE2 3.77Å; I30-F32 HydrophobicContact CG2-CZ 3.57Å; F32-T34 HydrophobicContact CB-CG2 4.42Å; F32-I84 HydrophobicContact CE2-CB 4.46Å; F32-I84 HydrophobicContact CE2-CD1 4.26Å; F32-I84 HydrophobicContact CZ-CD1 4.45Å
33L29.3Very low33.6Very low143 Ų143118.5 Ų118.575%0.74965%0.652SS**  trans-110.592.3161.3-78.2164.1000107.2
34T32.5Very low33.9Very low89 Ų89116 Ų11655%0.54665%0.648SS.*  trans-101.8115.6179.551.80000111.3F32F32-T34 HydrophobicContact CB-CG2 4.42Å
35S25.5Very low34.1Very low116 Ų116112.4 Ų112.481%0.81165%0.646SS**  trans-87109.5151.158.50000107.8T37S35-T37 PolarHBondContact O-N 3.22Å
36V29.6Very low34.2Very low124 Ų124111.3 Ų111.375%0.75264%0.638SS**  trans-87.2113.3-178.6-178.20000109.8
37T28.2Very low34.5Very low135 Ų135111.4 Ų111.483%0.82865%0.645SS**  trans-101.3119.3157.143.50000108S35S35-T37 PolarHBondContact O-N 3.22Å
38S30.2Very low34.5Very low119 Ų119107.7 Ų107.783%0.83263%0.631SS**  trans-72.1129.5-176.243.50000111.7
39A33.1Very low34.3Very low100 Ų100108.7 Ų108.783%0.82664%0.637SS**  trans-119.5141.7165.200000109.5
40T32.3Very low34.4Very low145 Ų145108 Ų10889%0.8963%0.627SS**PPolyproline II helixtrans-64.9136.7-167.7290000114.4
41T36.7Very low34.6Very low146 Ų146108.4 Ų108.490%0.89663%0.632SS**PPolyproline II helixtrans-62.5125173.934.30000112.7
42S35.4Very low34.7Very low96 Ų96112.3 Ų112.367%0.67165%0.645SS**PPolyproline II helixtrans-96.1120.1163.91730000109.7T44S42-T44 PolarHBondContact O-N 3.32Å; S42-T44 VanDerWaalsContact O-N 3.15Å
43R30.7Very low35.1Very low249 Ų249119 Ų11994%0.9467%0.668SS**  trans-66.7104.5169-87.8-178176.7173.5-1.1108.8
44T36.4Very low35.3Very low109 Ų109122.7 Ų122.767%0.66967%0.672SS**  trans-135.6135.3160.443.20000107.7S42 C46S42-T44 PolarHBondContact O-N 3.32Å; S42-T44 VanDerWaalsContact O-N 3.15Å; T44-C46 PolarHBondContact O-N 3.43Å
45N37.5Very low35.4Very low158 Ų158127.2 Ų127.285%0.84569%0.687SS**  trans-43.5139.1170.6-78.1-18.3000108.8H47N45-H47 PolarHBondContact O-N 2.75Å
46C37.4Very low36Very low44 Ų44130.2 Ų130.230%0.29769%0.686SS.*SBendtrans-65.770.1-177.5-70.30000111.5T44T44-C46 PolarHBondContact O-N 3.43Å
47H41.9Very low36Very low141 Ų141131.5 Ų131.565%0.65369%0.688SS**  trans-91.892.5153.4-106.8-44.4000105.8N45 N49N45-H47 PolarHBondContact O-N 2.75Å; H47-N49 PolarHBondContact O-N 3.4Å
48C38.4Very low36.3Very low27 Ų27131 Ų13118%0.18268%0.68CS.*  trans-6687.2161.9-58.50000107P50 C293 A303C48-P50 WeakPolarHBondContact O-CD 3.06Å; C48-C293 PolarHBondContact SG-SG 2.96Å; C48-A303 HydrophobicContact CB-CB 4.43Å
49N39.5Very low36.2Very low67 Ų67132.4 Ų132.436%0.35868%0.678SS.*  trans-99.578.6161.4-152.77.9000107.5H47 V51 E52H47-N49 PolarHBondContact O-N 3.4Å; N49-V51 PolarHBondContact O-N 2.96Å; N49-E52 PolarHBondContact ND2-OE2 3.25Å; N49-E52 PolarHBondContact O-N 2.99Å
50P41.4Very low36.1Very low55 Ų55139 Ų13936%0.35768%0.682SS.*THydrogen-bonded Turntrans-66.91.4-179.129-35.3000112.8C48 P214C48-P50 WeakPolarHBondContact O-CD 3.06Å; P50-P214 HydrophobicContact CG-CB 4.38Å; P50-P214 HydrophobicContact CG-CG 4.2Å
51V41.6Very low35.8Very low68 Ų68141 Ų14141%0.41268%0.678SS.*THydrogen-bonded Turntrans-100.4-9.7-175-1750000112.4N49 P214N49-V51 PolarHBondContact O-N 2.96Å; V51-P214 HydrophobicContact CG2-CG 4.23Å
52E39.4Very low35.3Very low150 Ų150142.9 Ų142.970%0.70168%0.677SS**  trans-105.6-3.7-171.3-149160.7-162.500115.1N49 R54N49-E52 PolarHBondContact ND2-OE2 3.25Å; N49-E52 PolarHBondContact O-N 2.99Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.45Å; E52-R54 VanDerWaalsContact O-N 3.13Å
53R39.5Very low34.9Very low218 Ų218146.8 Ų146.882%0.82369%0.689SS**SBendtrans-84.184158.9-74.8-169.2-168.2-179.46.5108.8
54R34.7Very low34.6Very low220 Ų220142.5 Ų142.583%0.8369%0.685SS**  trans20.9129.6159.3-56.9-174.7-152.5179.46.9117.1E52 F56E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.45Å; E52-R54 VanDerWaalsContact O-N 3.13Å; R54-F56 PolarHBondContact O-N 3.02Å
55H33.9Very low34.1Very low184 Ų184143.5 Ų143.585%0.85270%0.695SS**  trans-15108151.2-77.2-5.5000112.7D57H55-D57 PolarHBondContact O-N 3.24Å
56F38.4Very low33.5Very low180 Ų180139.2 Ų139.279%0.78969%0.688SS**  trans-70.986.5159.8-92.3-84.5000106.8R54 L58R54-F56 PolarHBondContact O-N 3.02Å; F56-L58 HydrophobicContact CB-CD1 4.41Å; F56-L58 HydrophobicContact CD1-CD1 4.26Å; F56-L58 HydrophobicContact CD1-CG 4.4Å; F56-L58 PolarHBondContact O-N 2.95Å
57D30.3Very low32.9Very low150 Ų150146.7 Ų146.780%0.80272%0.718SS**  trans-61.889.1156.6-118.7-20.2000106.7H55H55-D57 PolarHBondContact O-N 3.24Å
58L34Very low32.2Very low126 Ų126148 Ų14866%0.6672%0.724SS**  trans-100.670169.3-86.9163.1000108F56F56-L58 HydrophobicContact CB-CD1 4.41Å; F56-L58 HydrophobicContact CD1-CD1 4.26Å; F56-L58 HydrophobicContact CD1-CG 4.4Å; F56-L58 PolarHBondContact O-N 2.95Å
59D28.4Very low31.7Very low147 Ų147153.5 Ų153.579%0.78676%0.757SS**  trans-152.665.5166-117.7-11.8000109.6
60R29.8Very low31.1Very low239 Ų239158.7 Ų158.790%0.90278%0.779SS**  trans-167.8112.3158.3-119.3164.2-176.9168.10.6115.3
61K26.7Very low30.5Very low187 Ų187160.5 Ų160.581%0.81380%0.799SS**  trans19.5128.4134.5-70.2-179.7173.3-177.70118.3
62E26.2Very low29.7Very low186 Ų186162.8 Ų162.887%0.86982%0.815SS**  trans18.8112.9142-66.8-173.5133.700116.9
63L27.6Very low29.1Very low177 Ų177163.8 Ų163.893%0.92782%0.824SS**  trans-155.5117.5146.8-102.9132.2000111.1
64N23.8Very low28.6Very low160 Ų160159.6 Ų159.686%0.85682%0.823SS**  trans-50.4136.4167.8-80.8-41.3000113.1
65C25.6Very low28.1Very low130 Ų130155.9 Ų155.988%0.87883%0.825SS**  trans-168.7114.8147.4-96.80000105.6
66G24.5Very low27.7Very low67 Ų67152.4 Ų152.469%0.69182%0.821SS**  cis82.367.425.600000111.3
67Q26.3Very low27.1Very low201 Ų201153.6 Ų153.694%0.93983%0.826SS**  trans169.3126.1133-96.3177.4-28.900112.5
68Q25.8Very low26.9Very low168 Ų168157.3 Ų157.379%0.78583%0.829SS**  trans-67.5141.9168.9-73.7172.5-39.300111.3
69V27.6Very low26.5Very low144 Ų144158.1 Ų158.187%0.87383%0.833SS**  trans-131.7111.2146-179.60000107.6
70Q27.4Very low26.5Very low176 Ų176157.7 Ų157.782%0.82283%0.83SS**  trans-75.2135.1169.6-90.8161.7-39.200110.2
71A28.6Very low26.5Very low93 Ų93152.5 Ų152.577%0.76982%0.821SS**  trans-145.2152.5160.800000109
72P26.2Very low26.7Very low115 Ų115149 Ų14975%0.74781%0.806SS**  trans-88.3153.7-133.432.4-35.5000115.2T74P72-T74 PolarHBondContact O-N 3.32Å; P72-T74 VanDerWaalsContact O-N 3.17Å
73L25.6Very low26.7Very low171 Ų171143.5 Ų143.590%0.89579%0.791SS**  trans-48.9113.8168.1-78.484.5000110.9
74T28.9Very low27Very low131 Ų131139.5 Ų139.580%0.80477%0.77SS**  trans-128.4112.2151.943.60000108.8P72 S76P72-T74 PolarHBondContact O-N 3.32Å; P72-T74 VanDerWaalsContact O-N 3.17Å; T74-S76 PolarHBondContact O-N 2.97Å
75T24.6Very low27.3Very low142 Ų142135.1 Ų135.187%0.87175%0.749SS**  trans-59.4107.7175.530.40000110.9
76S26.4Very low27.6Very low110 Ų110131 Ų13177%0.76972%0.721SS**  trans-131.289.8156.3-170.60000108.6T74 R78T74-S76 PolarHBondContact O-N 2.97Å; S76-R78 PolarHBondContact O-N 3.47Å
77K24.7Very low27.8Very low205 Ų205131.8 Ų131.889%0.89172%0.716SS**  trans-72101168.3-80.8178.5172.3-179.90108.1
78R26.9Very low28.3Very low228 Ų228131.7 Ų131.786%0.8671%0.707SS**  trans-138.1101.9156.3-76.7-163.5-179.7-172.10.5110.4S76S76-R78 PolarHBondContact O-N 3.47Å
79L26Very low28.5Very low144 Ų144128.5 Ų128.575%0.75469%0.69SS**  trans-12.4112.4158.5-70.5146.9000115.4D81L79-D81 HydrophobicContact CD2-CB 4.28Å; L79-D81 WeakPolarHBondContact CD2-OD2 3.25Å
80L28Very low28.6Very low137 Ų137129 Ų12972%0.71769%0.688SS**  trans-106.968.5147-102150.3000106.1F82L80-F82 HydrophobicContact CD2-CD2 3.5Å; L80-F82 HydrophobicContact CD2-CE2 3.25Å; L80-F82 HydrophobicContact CD2-CZ 4.35Å; L80-F82 PolarHBondContact O-N 2.96Å
81D28.6Very low28.6Very low131 Ų131126 Ų12670%0.70169%0.686SS**  trans-76.283.4165.4-80.4-3.8000106.9L79 A83L79-D81 HydrophobicContact CD2-CB 4.28Å; L79-D81 WeakPolarHBondContact CD2-OD2 3.25Å; D81-A83 PolarHBondContact O-N 3.37Å
82F31.3Very low28.8Very low114 Ų114127.9 Ų127.950%0.569%0.689SS.*  trans-74.373.8155.7-87.1-74.1000107.6L80 I84 L294L80-F82 HydrophobicContact CD2-CD2 3.5Å; L80-F82 HydrophobicContact CD2-CE2 3.25Å; L80-F82 HydrophobicContact CD2-CZ 4.35Å; L80-F82 PolarHBondContact O-N 2.96Å; F82-I84 PolarHBondContact O-N 3.01Å; F82-L294 HydrophobicContact CZ-CD1 3.98Å
83A26.9Very low28.8Very low69 Ų69127 Ų12757%0.5769%0.69SS**  trans-71.786.1155.900000106.6D81 T85D81-A83 PolarHBondContact O-N 3.37Å; A83-T85 HydrophobicContact CB-CG2 4.2Å; A83-T85 PolarHBondContact O-N 2.8Å
84I33.9Very low29.3Very low94 Ų94129.8 Ų129.848%0.48269%0.689SS.*  trans-7072.4148.2-52.9176.6000104.4F32 F82 P86F32-I84 HydrophobicContact CE2-CB 4.46Å; F32-I84 HydrophobicContact CE2-CD1 4.26Å; F32-I84 HydrophobicContact CZ-CD1 4.45Å; F82-I84 PolarHBondContact O-N 3.01Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å
85T29.3Very low29.6Very low68 Ų68131.6 Ų131.642%0.41769%0.688SS.*  trans-62.4121.7170.126.10000106.1A83 S87 W88A83-T85 HydrophobicContact CB-CG2 4.2Å; A83-T85 PolarHBondContact O-N 2.8Å; T85-S87 PolarHBondContact O-N 3.41Å; T85-W88 PolarHBondContact O-NE1 2.95Å; T85-W88 VanDerWaalsContact O-NE1 3.15Å
86P32.6Very low29.9Very low44 Ų44130.3 Ų130.329%0.28668%0.682SS.*  trans-79.261.4174.632.3-29.9000108.9F13 I84 W88 F89F13-P86 HydrophobicContact CD2-CG 4.24Å; F13-P86 HydrophobicContact CE2-CG 3.64Å; F13-P86 HydrophobicContact CZ-CG 4.3Å; F13-P86 WeakPolarHBondContact CZ-O 3.37Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-W88 PolarHBondContact O-N 2.99Å; P86-F89 HydrophobicContact CB-CD2 4.44Å
87S29.4Very low30.6Very low82 Ų82133.3 Ų133.357%0.57369%0.689SS**  trans-78.84163.455.20000112.5T85T85-S87 PolarHBondContact O-N 3.41Å
88W35.1Very low31.3Very low199 Ų199126.9 Ų126.975%0.75468%0.681SS**  trans-102.83-163.2-53.674.7000113.8T85 P86 N90T85-W88 PolarHBondContact O-NE1 2.95Å; T85-W88 VanDerWaalsContact O-NE1 3.15Å; P86-W88 PolarHBondContact O-N 2.99Å; W88-N90 PolarHBondContact O-N 2.97Å
89F31.7Very low31.8Very low101 Ų101123.7 Ų123.744%0.44368%0.681SS.*  trans-8913.1-170.1-105.8-78.3000115.9F27 I28 P86F27-F89 AromaticContact CD1-CD1 3.76Å; F27-F89 HydrophobicContact CD1-CD1 3.76Å; F27-F89 AromaticContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CE1-CD1 4.05Å; F27-F89 HydrophobicContact CE1-CE1 4.34Å; I28-F89 WeakPolarHBondContact O-CZ 3.5Å; P86-F89 HydrophobicContact CB-CD2 4.44Å
90N28.8Very low32.5Very low155 Ų155124.8 Ų124.883%0.82969%0.688SS**SBendtrans-106.18.3-168.1-82-9.7000117.3W88W88-N90 PolarHBondContact O-N 2.97Å
91S27.5Very low32.8Very low112 Ų112127.6 Ų127.678%0.78369%0.694SS**  trans-146.780.4-177.3-82.40000114.4
92V32.7Very low33.1Very low134 Ų134129.2 Ų129.281%0.81270%0.702SS**  trans-148.497.2148.4-171.30000109.4
93A26.9Very low33.1Very low95 Ų95131.9 Ų131.979%0.78572%0.721SS**  trans-118.5122.5158.500000106.5
94R34.8Very low33.5Very low231 Ų231134.7 Ų134.787%0.87273%0.73SS**  trans-160.3112.5162.6-115.4176.4-141.4171.96.3114.2
95E36.2Very low33.6Very low168 Ų168138.4 Ų138.479%0.78575%0.746SS**  trans39.9124.2136.3-62.5-172.6148.400120.9
96P29.6Very low33.7Very low115 Ų115141 Ų14175%0.74776%0.764SS**  trans-100117.5166.635.2-23.5000110.8
97L42.4Very low33.8Very low173 Ų173143.1 Ų143.191%0.90679%0.785SS**  trans-154.8129155.9-87.7113.6000105.5
98G38.7Very low34.2Very low71 Ų71146 Ų14673%0.73279%0.794SS**  cis135.6127.835.600000103.9D100G98-D100 PolarHBondContact O-N 3.33Å
99D36.9Very low34.6Very low160 Ų160146.2 Ų146.286%0.85680%0.803SS**  trans-52.2127.2-170.7-69.6-57.4000113.2
100D41.3Very low35.1Very low168 Ų168144.3 Ų144.390%0.89881%0.811SS**  trans-156.5133.2144.9-101.2-31.7000113G98G98-D100 PolarHBondContact O-N 3.33Å
101K34.4Very low36Very low195 Ų195141.8 Ų141.885%0.84880%0.797SS**  trans-66.7130.5178.9-69.6169.6175.9173.70110.2
102L35.3Very low37.2Very low166 Ų166140.6 Ų140.687%0.86978%0.782SS**  trans-150.7117.3152.9-136.882.9000111.7
103L30.4Very low38.1Very low169 Ų169137.8 Ų137.889%0.88577%0.768SS**  trans-65.2128.8163.2-85.389.2000109.5
104V35.3Very low39Very low128 Ų128136.7 Ų136.778%0.77675%0.754SS**  trans-154.1139.5143.7-173.70000111.2
105H35.4Very low40Very low173 Ų173130.4 Ų130.480%0.80174%0.741SS**  trans-38161.4-177.4-76.1-86.5000122.1
106P31.9Very low41Very low123 Ų123129.1 Ų129.180%0.79974%0.735SS**  trans-85.6118.1173.134.7-27.9000110.7
107A34.3Very low42.2Very low88 Ų88131.8 Ų131.873%0.72773%0.731SS**  trans-160.9100.6165.200000110
108N39.2Very low43.4Very low142 Ų142128 Ų12876%0.75971%0.712SS**  trans-171.161.9153.6-99.7-14.3000110.4
109Q43.5Very low44.6Very low204 Ų204129.5 Ų129.595%0.95370%0.698SS**SBendtrans-118.295.4159.6-76.3-178.3-800106.1
110G41.9Very low46.2Very low60 Ų60127.1 Ų127.162%0.61969%0.685SS**SBendtrans169.4-14.7179.200000117.4
111I48.4Very low47.6Very low102 Ų102121.6 Ų121.652%0.52366%0.663SS.*Hα-helixtrans-87-23.1-171.9-55.7177.2000112.7S113 C114I111-S113 PolarHBondContact O-N 2.93Å; I111-C114 WeakPolarHBondContact O-CB 3.49Å; I111-C114 PolarHBondContact O-N 3.14Å; I111-C114 VanDerWaalsContact O-N 3.08Å
112D51.6Low49.5Very low87 Ų87118.5 Ų118.547%0.46565%0.649SS.*Hα-helixtrans-69-32.4-173.5-79.1-15.9000113.7C114 K221D112-C114 VanDerWaalsContact C-N 3.33Å; D112-K221 IonicContact OD2-NZ 3.94Å; D112-K221 PolarHBondContact OD2-NZ 3.47Å
113S50.9Low51.3Low76 Ų76113 Ų11353%0.53162%0.619SS.*Hα-helixtrans-69.5-33.9172.2-61.40000111.5I111 V115 Q116 Y117I111-S113 PolarHBondContact O-N 2.93Å; S113-V115 VanDerWaalsContact C-N 3.35Å; S113-V115 PolarHBondContact O-N 2.82Å; S113-Q116 PolarHBondContact O-N 3.46Å; S113-Y117 WeakPolarHBondContact O-CB 3.3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.39Å; S113-Y117 PolarHBondContact O-N 2.9Å
114C46.1Very low53.5Low71 Ų71106.9 Ų106.948%0.4860%0.596SS.*Hα-helixtrans-66.9-34.9-172.3-157.50000112.7I111 D112 L118I111-C114 WeakPolarHBondContact O-CB 3.49Å; I111-C114 PolarHBondContact O-N 3.14Å; I111-C114 VanDerWaalsContact O-N 3.08Å; D112-C114 VanDerWaalsContact C-N 3.33Å; C114-L118 WeakPolarHBondContact O-CB 3.27Å; C114-L118 PolarHBondContact O-N 3.39Å
115V57.1Low55.6Low100 Ų100105.5 Ų105.561%0.60658%0.583SS**Hα-helixtrans-73.5-39.8179.6-178.30000111.5S113 L118 F119S113-V115 VanDerWaalsContact C-N 3.35Å; S113-V115 PolarHBondContact O-N 2.82Å; V115-L118 PolarHBondContact O-N 3.29Å; V115-F119 PolarHBondContact O-N 3.38Å
116Q55.8Low57.6Low141 Ų141101 Ų10166%0.65957%0.565SS**Hα-helixtrans-69-39177.2-161.4165.8-2.800111.3S113 F119 L120S113-Q116 PolarHBondContact O-N 3.46Å; Q116-F119 PolarHBondContact O-N 3.35Å; Q116-L120 WeakPolarHBondContact O-CG 3.43Å; Q116-L120 PolarHBondContact O-N 3.03Å
117Y56.5Low59.7Low170 Ų17099.4 Ų99.467%0.66755%0.549SS*.Hα-helixtrans-64.4-39.8170.2-85-72.5000112.2S113 F119 L120 A121S113-Y117 WeakPolarHBondContact O-CB 3.3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.39Å; S113-Y117 PolarHBondContact O-N 2.9Å; Y117-F119 VanDerWaalsContact C-N 3.32Å; Y117-F119 PolarHBondContact O-N 3.48Å; Y117-L120 PolarHBondContact O-N 2.88Å; Y117-A121 WeakPolarHBondContact O-CB 3.47Å; Y117-A121 PolarHBondContact O-N 3.23Å
118L66.8Low61.8Low95 Ų95102.6 Ų102.650%0.49754%0.543SS..Hα-helixtrans-63.4-38.7176.5-123.891.1000112C114 V115 K122C114-L118 WeakPolarHBondContact O-CB 3.27Å; C114-L118 PolarHBondContact O-N 3.39Å; V115-L118 PolarHBondContact O-N 3.29Å; L118-K122 WeakPolarHBondContact O-CB 3.08Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.26Å
119F63.6Low63.8Low102 Ų102100.4 Ų100.445%0.44753%0.531SS..Hα-helixtrans-68.2-48178.6-170.8-95000111.4V115 Q116 Y117 A121 K122 Q123V115-F119 PolarHBondContact O-N 3.38Å; Q116-F119 PolarHBondContact O-N 3.35Å; Y117-F119 VanDerWaalsContact C-N 3.32Å; Y117-F119 PolarHBondContact O-N 3.48Å; F119-A121 VanDerWaalsContact C-N 3.32Å; F119-A121 PolarHBondContact O-N 2.93Å; F119-K122 PolarHBondContact O-N 3.37Å; F119-Q123 PolarHBondContact O-N 2.92Å
120L69.9Low65.6Low110 Ų11092.6 Ų92.658%0.57650%0.495SS*.Hα-helixtrans-62.4-39175.9-69.3173.9000111.9Q116 Y117 Q123 G124Q116-L120 WeakPolarHBondContact O-CG 3.43Å; Q116-L120 PolarHBondContact O-N 3.03Å; Y117-L120 PolarHBondContact O-N 2.88Å; L120-Q123 PolarHBondContact O-N 3.43Å; L120-G124 PolarHBondContact O-N 3.42Å
121A71.2Confident67.5Low52 Ų5293.9 Ų93.943%0.4349%0.491SS..Hα-helixtrans-65.2-44.1175.600000111.9Y117 F119 G124 I125Y117-A121 WeakPolarHBondContact O-CB 3.47Å; Y117-A121 PolarHBondContact O-N 3.23Å; F119-A121 VanDerWaalsContact C-N 3.32Å; F119-A121 PolarHBondContact O-N 2.93Å; A121-G124 PolarHBondContact O-N 3.03Å; A121-I125 VanDerWaalsContact O-CG1 3.27Å; A121-I125 WeakPolarHBondContact O-CG1 3.28Å; A121-I125 PolarHBondContact O-N 3.48Å
122K73.8Confident69.2Low130 Ų13093.4 Ų93.457%0.56549%0.486SS*.Hα-helixtrans-62.1-43.7175.8-79.6-177.9177.3-175.20111.8L118 F119 I125 I126L118-K122 WeakPolarHBondContact O-CB 3.08Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.26Å; F119-K122 PolarHBondContact O-N 3.37Å; K122-I125 PolarHBondContact O-N 3.06Å; K122-I126 WeakPolarHBondContact O-CG1 3.29Å; K122-I126 PolarHBondContact O-N 3.28Å
123Q73.9Confident70.6Confident51 Ų5193.2 Ų93.224%0.23849%0.485CS..Hα-helixtrans-65.5-39.7177.7-154.9713.500111.8F119 L120 I126 N127F119-Q123 PolarHBondContact O-N 2.92Å; L120-Q123 PolarHBondContact O-N 3.43Å; Q123-I126 PolarHBondContact O-N 3.38Å; Q123-N127 WeakPolarHBondContact O-CB 3.49Å; Q123-N127 PolarHBondContact O-N 3.04Å
124G77Confident72.1Confident39 Ų3993.2 Ų93.240%0.40248%0.478SS..Hα-helixtrans-61.4-44.3174.800000112.8L120 A121 N127 W128L120-G124 PolarHBondContact O-N 3.42Å; A121-G124 PolarHBondContact O-N 3.03Å; G124-N127 PolarHBondContact O-N 3.34Å; G124-W128 VanDerWaalsContact O-CB 3.29Å; G124-W128 WeakPolarHBondContact O-CB 3.37Å; G124-W128 PolarHBondContact O-N 2.97Å
125I78.2Confident73.8Confident99 Ų9995.7 Ų95.751%0.50848%0.483SS..Hα-helixtrans-64.2-43.9177.5-68.3164.5000111A121 K122 W128 L129A121-I125 VanDerWaalsContact O-CG1 3.27Å; A121-I125 WeakPolarHBondContact O-CG1 3.28Å; A121-I125 PolarHBondContact O-N 3.48Å; K122-I125 PolarHBondContact O-N 3.06Å; I125-W128 PolarHBondContact O-N 3.4Å; I125-L129 HydrophobicContact CG2-CD1 3.82Å; I125-L129 HydrophobicContact CG2-CG 4.31Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 VanDerWaalsContact O-CG 3.3Å; I125-L129 WeakPolarHBondContact O-CG 3.33Å; I125-L129 PolarHBondContact O-N 3.48Å
126I77.7Confident75Confident79 Ų7997.3 Ų97.341%0.40548%0.481SS..Hα-helixtrans-62.6-47.1178.8-67.9168.1000110.5K122 Q123 W128 L129 L130K122-I126 WeakPolarHBondContact O-CG1 3.29Å; K122-I126 PolarHBondContact O-N 3.28Å; Q123-I126 PolarHBondContact O-N 3.38Å; I126-W128 PolarHBondContact O-N 3.06Å; I126-L129 PolarHBondContact O-N 2.95Å; I126-L130 WeakPolarHBondContact O-CB 3.49Å; I126-L130 PolarHBondContact O-N 3.34Å
127N76Confident76.1Confident89 Ų8993.6 Ų93.648%0.47647%0.466SS..Hα-helixtrans-62.5-42.1177.2-78.1-16.3000112Q123 G124 L130 V131Q123-N127 WeakPolarHBondContact O-CB 3.49Å; Q123-N127 PolarHBondContact O-N 3.04Å; G124-N127 PolarHBondContact O-N 3.34Å; N127-L130 WeakPolarHBondContact O-CB 3.32Å; N127-L130 PolarHBondContact O-N 3.23Å; N127-V131 WeakPolarHBondContact O-CG2 3.33Å; N127-V131 PolarHBondContact O-N 3.24Å
128W79.9Confident77.2Confident156 Ų15693.3 Ų93.359%0.59147%0.468SS*.Hα-helixtrans-63.2-45.5177.2-177.983.4000112.1G124 I125 I126 L130 V131 Q132G124-W128 VanDerWaalsContact O-CB 3.29Å; G124-W128 WeakPolarHBondContact O-CB 3.37Å; G124-W128 PolarHBondContact O-N 2.97Å; I125-W128 PolarHBondContact O-N 3.4Å; I126-W128 PolarHBondContact O-N 3.06Å; W128-L130 VanDerWaalsContact C-N 3.26Å; W128-L130 PolarHBondContact O-N 2.84Å; W128-V131 PolarHBondContact O-N 3.43Å; W128-Q132 HydrophobicContact CD2-CG 4.16Å; W128-Q132 HydrophobicContact CE3-CG 4.35Å; W128-Q132 HydrophobicContact CH2-CG 4.2Å; W128-Q132 HydrophobicContact CZ2-CG 3.99Å; W128-Q132 HydrophobicContact CZ3-CG 4.37Å; W128-Q132 WeakPolarHBondContact O-CG 3.33Å; W128-Q132 PolarHBondContact O-N 2.95Å
129L81.1Confident77.7Confident96 Ų9693.1 Ų93.150%0.50348%0.475SS..Hα-helixtrans-61-37.1174.3-74.6170.7000111.7I125 I126 Q132 L133I125-L129 HydrophobicContact CG2-CD1 3.82Å; I125-L129 HydrophobicContact CG2-CG 4.31Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 VanDerWaalsContact O-CG 3.3Å; I125-L129 WeakPolarHBondContact O-CG 3.33Å; I125-L129 PolarHBondContact O-N 3.48Å; I126-L129 PolarHBondContact O-N 2.95Å; L129-Q132 PolarHBondContact O-N 3.02Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 PolarHBondContact O-N 2.89Å
130L79.8Confident78Confident39 Ų3997.6 Ų97.620%0.20449%0.488CS..Hα-helixtrans-62.8-46.8176.7-139.286.5000112I126 N127 W128 Q132 L133 I134 F169 L172I126-L130 WeakPolarHBondContact O-CB 3.49Å; I126-L130 PolarHBondContact O-N 3.34Å; N127-L130 WeakPolarHBondContact O-CB 3.32Å; N127-L130 PolarHBondContact O-N 3.23Å; W128-L130 VanDerWaalsContact C-N 3.26Å; W128-L130 PolarHBondContact O-N 2.84Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; L130-L133 PolarHBondContact O-N 3.28Å; L130-I134 HydrophobicContact CD2-CD1 4.44Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.97Å; L130-F169 HydrophobicContact CD2-CE1 4.18Å; L130-F169 HydrophobicContact CD2-CZ 4.19Å; L130-L172 HydrophobicContact CD1-CD1 3.3Å; L130-L172 HydrophobicContact CD1-CD2 4.47Å; L130-L172 HydrophobicContact CD2-CD1 4.24Å; L130-L172 HydrophobicContact CG-CD1 4.35Å
131V82.6Confident77.7Confident87 Ų8799.6 Ų99.653%0.52750%0.495SS..Hα-helixtrans-61.7-44.9178.2172.80000110.4N127 W128 L133 I134 E135N127-V131 WeakPolarHBondContact O-CG2 3.33Å; N127-V131 PolarHBondContact O-N 3.24Å; W128-V131 PolarHBondContact O-N 3.43Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 3.35Å; V131-I134 PolarHBondContact O-N 2.9Å; V131-E135 WeakPolarHBondContact O-CB 3.15Å; V131-E135 WeakPolarHBondContact O-CG 3.49Å; V131-E135 PolarHBondContact O-N 3.46Å
132Q83.9Confident77.3Confident92 Ų92101.7 Ų101.743%0.4350%0.504SS..Hα-helixtrans-61-39.3176.5-71.9-67.1-12.600112.5W128 L129 L130 K136W128-Q132 HydrophobicContact CD2-CG 4.16Å; W128-Q132 HydrophobicContact CE3-CG 4.35Å; W128-Q132 HydrophobicContact CH2-CG 4.2Å; W128-Q132 HydrophobicContact CZ2-CG 3.99Å; W128-Q132 HydrophobicContact CZ3-CG 4.37Å; W128-Q132 WeakPolarHBondContact O-CG 3.33Å; W128-Q132 PolarHBondContact O-N 2.95Å; L129-Q132 PolarHBondContact O-N 3.02Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; Q132-K136 VanDerWaalsContact O-CB 3.3Å; Q132-K136 WeakPolarHBondContact O-CB 3.36Å; Q132-K136 PolarHBondContact O-N 3.08Å
133L82Confident76.7Confident84 Ų84102 Ų10244%0.4452%0.517SS..Hα-helixtrans-66.8-41.8177.6-161.178.3000111.4L129 L130 V131 K136 I137 L168L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 PolarHBondContact O-N 2.89Å; L130-L133 PolarHBondContact O-N 3.28Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 3.35Å; L133-K136 PolarHBondContact O-N 2.88Å; L133-I137 HydrophobicContact CG-CD1 4.25Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 3.33Å; L133-L168 HydrophobicContact CD2-CD2 4.07Å
134I81.6Confident75.9Confident75 Ų75107.3 Ų107.339%0.38555%0.546SS..Hα-helixtrans-64.5-46178-67.5165.2000110.9L130 V131 K136 I137 K138 F169L130-I134 HydrophobicContact CD2-CD1 4.44Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.97Å; V131-I134 PolarHBondContact O-N 2.9Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.36Å; I134-I137 PolarHBondContact O-N 3.02Å; I134-K138 WeakPolarHBondContact O-CB 3.48Å; I134-K138 PolarHBondContact O-N 3.39Å; I134-F169 HydrophobicContact CD1-CZ 4.11Å
135E82.7Confident75Confident124 Ų124113.6 Ų113.658%0.57957%0.57SS**Hα-helixtrans-57.2-46.5174.4-79.3-93.8132.600111.3V131 I137 K138 S139V131-E135 WeakPolarHBondContact O-CB 3.15Å; V131-E135 WeakPolarHBondContact O-CG 3.49Å; V131-E135 PolarHBondContact O-N 3.46Å; E135-I137 PolarHBondContact O-N 3.44Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.38Å; E135-S139 PolarHBondContact O-N 3.01Å
136K82Confident74.1Confident133 Ų133112.4 Ų112.458%0.57858%0.582SS**Hα-helixtrans-65.9-37.1-179.6-162.4167.3-171.91720112.4Q132 L133 I134 S139 R140Q132-K136 VanDerWaalsContact O-CB 3.3Å; Q132-K136 WeakPolarHBondContact O-CB 3.36Å; Q132-K136 PolarHBondContact O-N 3.08Å; L133-K136 PolarHBondContact O-N 2.88Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.36Å; K136-S139 PolarHBondContact O-OG 3.3Å; K136-R140 PolarHBondContact O-N 2.9Å
137I77.7Confident73.3Confident64 Ų64120.7 Ų120.733%0.32861%0.608SS.*Hα-helixtrans-66.8-41.6174-68.9165.5000110.7L133 I134 E135 S139 R140 L161L133-I137 HydrophobicContact CG-CD1 4.25Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 3.33Å; I134-I137 PolarHBondContact O-N 3.02Å; E135-I137 PolarHBondContact O-N 3.44Å; I137-S139 VanDerWaalsContact C-N 3.33Å; I137-S139 PolarHBondContact O-N 3.34Å; I137-R140 PolarHBondContact O-N 3.46Å; I137-L161 HydrophobicContact CG2-CD2 4.2Å
138K80.1Confident72.3Confident163 Ų163128.7 Ų128.771%0.70963%0.632SS**Hα-helixtrans-62.2-38.9177.8-167.9178.1179.6-175.30112.1I134 E135 R140I134-K138 WeakPolarHBondContact O-CB 3.48Å; I134-K138 PolarHBondContact O-N 3.39Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.38Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 2.98Å
139S78.3Confident71.2Confident92 Ų92124.6 Ų124.664%0.64364%0.637SS**Hα-helixtrans-67.3-21.6178.175.60000114.5E135 K136 I137E135-S139 PolarHBondContact O-N 3.01Å; K136-S139 PolarHBondContact O-OG 3.3Å; I137-S139 VanDerWaalsContact C-N 3.33Å; I137-S139 PolarHBondContact O-N 3.34Å
140R69.8Low70Confident195 Ų195131 Ų13174%0.73666%0.655SS**THydrogen-bonded Turntrans-947.6-176.8-79.1-169.7179.6-164.6-0.2114.3K136 I137 K138 P142K136-R140 PolarHBondContact O-N 2.9Å; I137-R140 PolarHBondContact O-N 3.46Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 2.98Å; R140-P142 WeakPolarHBondContact O-CD 3.15Å
141Q62.6Low68.7Low152 Ų152136.9 Ų136.971%0.7168%0.683SS**  trans-80.1105.6167.1-76.9-151.8-21.700109.7T143Q141-T143 PolarHBondContact O-N 3Å
142P63Low67.5Low96 Ų96141 Ų14162%0.62370%0.697SS**  trans-68.7131172.531.1-32.7000108.1R140 L144R140-P142 WeakPolarHBondContact O-CD 3.15Å; P142-L144 HydrophobicContact CG-CD1 4.39Å; P142-L144 HydrophobicContact CG-CG 4.46Å; P142-L144 PolarHBondContact O-N 3.38Å
143T61Low66.4Low137 Ų137143.3 Ų143.384%0.8472%0.717SS**  trans-58.276.9168290000110.5Q141 L145Q141-T143 PolarHBondContact O-N 3Å; T143-L145 PolarHBondContact O-N 2.96Å; T143-L145 VanDerWaalsContact O-N 3.09Å
144L57.9Low64.8Low162 Ų162143 Ų14385%0.84874%0.735SS**  trans-83.760.8168.9-76.2169.6000109.7P142P142-L144 HydrophobicContact CG-CD1 4.39Å; P142-L144 HydrophobicContact CG-CG 4.46Å; P142-L144 PolarHBondContact O-N 3.38Å
145L58Low63.8Low172 Ų172150.7 Ų150.790%0.90176%0.759SS**  trans-114.376.7170.3-104.2155.6000107.3T143T143-L145 PolarHBondContact O-N 2.96Å; T143-L145 VanDerWaalsContact O-N 3.09Å
146G58.1Low62.9Low74 Ų74154.4 Ų154.476%0.76377%0.773SS**  trans-178.135.4-174.300000117.1
147R61.4Low61.9Low253 Ų253154.8 Ų154.896%0.95578%0.78SS**  trans-156.5111.4157.8-130168.6-177.8161.3-0.4113.1
148R54.8Low61.1Low257 Ų257156.8 Ų156.897%0.9780%0.797SS**  trans-87.3117.6178-158.6-179.5-156.5176.54.9107.7
149G56.7Low60.6Low69 Ų69154.3 Ų154.371%0.71180%0.796SS**  trans166.683.7176.700000109.2
150R57Low60.5Low232 Ų232156.5 Ų156.588%0.87580%0.799SS**  77.4106.996.9-161.6179.3-142.1165.26.5112.1
151M52.1Low60.7Low162 Ų162151.4 Ų151.480%0.79879%0.786SS**  trans61.8107.5150.8-76.3177.9154.600117.9
152E57.7Low61.4Low173 Ų173145.4 Ų145.481%0.80877%0.765SS**  171.4135.397.6-102.7165.8165.100111.8
153T59.3Low62.1Low140 Ų140143.5 Ų143.586%0.85976%0.757SS**  trans45.370.7158.749.40000118.7R155T153-R155 PolarHBondContact O-N 3.37Å
154G49.2Very low63.1Low78 Ų78142.7 Ų142.780%0.80475%0.747SS**  trans-65.389.2173.300000114.7K156G154-K156 PolarHBondContact O-N 3.05Å
155R60.8Low64.2Low237 Ų237139.3 Ų139.389%0.89473%0.727SS**  trans-71.1106.9158.1-160.1179.3-88.3172.1-6.6106.8T153 I157T153-R155 PolarHBondContact O-N 3.37Å; R155-I157 PolarHBondContact O-N 3.4Å
156K62.5Low65.2Low201 Ų201140.8 Ų140.887%0.87472%0.721SS**  trans-55.894.4178.5-67.6175.8-179.4175.20109.2G154 P158G154-K156 PolarHBondContact O-N 3.05Å; K156-P158 WeakPolarHBondContact O-CD 3.46Å
157I61.4Low66.3Low141 Ų141141.9 Ų141.972%0.72371%0.713SS**  trans-72.5108.2167.2-62173.7000105R155 T159R155-I157 PolarHBondContact O-N 3.4Å; I157-T159 PolarHBondContact O-N 2.71Å; I157-T159 VanDerWaalsContact O-N 3.14Å
158P62.2Low67.3Low107 Ų107133.4 Ų133.470%0.69569%0.686SS**  trans-59.4123.6169.527-32.1000106.5K156 I160K156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-I160 PolarHBondContact O-N 2.87Å
159T68.6Low68.4Low110 Ų110125.2 Ų125.268%0.67566%0.657SS**  trans-54.1110.5177.814.40000108.1I157 L161 G162 A163I157-T159 PolarHBondContact O-N 2.71Å; I157-T159 VanDerWaalsContact O-N 3.14Å; T159-L161 PolarHBondContact O-N 3.49Å; T159-G162 PolarHBondContact O-N 2.88Å; T159-A163 PolarHBondContact O-N 3.23Å
160I75.9Confident69.6Low138 Ų138124.3 Ų124.371%0.70864%0.643SS**Hα-helixtrans-47.3-32.4179.4-64.9167.4000110.9P158 A163 L164P158-I160 PolarHBondContact O-N 2.87Å; I160-A163 PolarHBondContact O-N 3.48Å; I160-L164 PolarHBondContact O-N 3.37Å
161L75Confident70.7Confident88 Ų88119.1 Ų119.146%0.46163%0.627SS.*Hα-helixtrans-60.7-41.3175.1-168.965.1000114I137 T159 L164 Q165I137-L161 HydrophobicContact CG2-CD2 4.2Å; T159-L161 PolarHBondContact O-N 3.49Å; L161-L164 PolarHBondContact O-N 3.4Å; L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 PolarHBondContact O-N 3.37Å
162G76.9Confident72Confident27 Ų27113.5 Ų113.528%0.27860%0.6SS.*Hα-helixtrans-69.9-34.317800000112.4T159 R166T159-G162 PolarHBondContact O-N 2.88Å; G162-R166 WeakPolarHBondContact O-CG 3.41Å; G162-R166 PolarHBondContact O-N 2.98Å
163A77.2Confident73Confident55 Ų55110.7 Ų110.746%0.45559%0.59SS.*Hα-helixtrans-66.4-46.7172.200000110.9T159 I160 Q165 R166 T167T159-A163 PolarHBondContact O-N 3.23Å; I160-A163 PolarHBondContact O-N 3.48Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.9Å; A163-R166 PolarHBondContact O-N 2.92Å; A163-T167 PolarHBondContact O-N 2.75Å; A163-T167 PolarHBondContact O-OG1 3.38Å; A163-T167 VanDerWaalsContact O-OG1 3.06Å
164L81.5Confident73.9Confident121 Ų121109.4 Ų109.463%0.63458%0.577SS**Hα-helixtrans-60.2-42.8179-156.297000112.3I160 L161 T167 L168I160-L164 PolarHBondContact O-N 3.37Å; L161-L164 PolarHBondContact O-N 3.4Å; L164-T167 PolarHBondContact O-N 3.09Å; L164-L168 WeakPolarHBondContact O-CB 3.37Å; L164-L168 PolarHBondContact O-N 3.47Å
165Q81.2Confident75.3Confident91 Ų91109.9 Ų109.943%0.42556%0.561SS.*Hα-helixtrans-61.5-45.6177.3-176.7178.5-8.200111.5L161 A163 T167 L168 F169L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 PolarHBondContact O-N 3.37Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.9Å; Q165-T167 PolarHBondContact O-N 3.38Å; Q165-L168 PolarHBondContact O-N 3.28Å; Q165-F169 HydrophobicContact CG-CD2 3.95Å; Q165-F169 HydrophobicContact CG-CE2 4.02Å; Q165-F169 WeakPolarHBondContact O-CD2 3.36Å; Q165-F169 PolarHBondContact O-N 3.25Å
166R80.1Confident75.8Confident203 Ų203103 Ų10377%0.76654%0.539SS*.Hα-helixtrans-63.1-41.6178.5-71174.4-173.9-175.21.4111.9G162 A163 F169 A170G162-R166 WeakPolarHBondContact O-CG 3.41Å; G162-R166 PolarHBondContact O-N 2.98Å; A163-R166 PolarHBondContact O-N 2.92Å; R166-F169 PolarHBondContact O-N 3.49Å; R166-A170 PolarHBondContact O-N 3.04Å
167T80.3Confident76.1Confident97 Ų9795.5 Ų95.560%0.59552%0.515SS*.Hα-helixtrans-64.9-40.9177.3-52.70000111.8A163 L164 Q165 A170 F171A163-T167 PolarHBondContact O-N 2.75Å; A163-T167 PolarHBondContact O-OG1 3.38Å; A163-T167 VanDerWaalsContact O-OG1 3.06Å; L164-T167 PolarHBondContact O-N 3.09Å; Q165-T167 PolarHBondContact O-N 3.38Å; T167-A170 PolarHBondContact O-N 3.48Å; T167-F171 WeakPolarHBondContact O-CB 3.35Å; T167-F171 PolarHBondContact O-N 2.76Å
168L83Confident76.3Confident75 Ų7595.5 Ų95.539%0.39351%0.512SS..Hα-helixtrans-62.9-45.1176.1-176.268.7000111.9L133 L164 Q165 F171 L172L133-L168 HydrophobicContact CD2-CD2 4.07Å; L164-L168 WeakPolarHBondContact O-CB 3.37Å; L164-L168 PolarHBondContact O-N 3.47Å; Q165-L168 PolarHBondContact O-N 3.28Å; L168-F171 PolarHBondContact O-N 3.2Å; L168-L172 HydrophobicContact CG-CD1 4.11Å; L168-L172 WeakPolarHBondContact O-CG 3.42Å; L168-L172 PolarHBondContact O-N 3.4Å
169F78.6Confident76.2Confident84 Ų8492.3 Ų92.337%0.36849%0.492SS..Hα-helixtrans-61.1-43.9175.9-93.7-83.3000112.1L130 I134 Q165 R166 F171 L172 L173L130-F169 HydrophobicContact CD2-CE1 4.18Å; L130-F169 HydrophobicContact CD2-CZ 4.19Å; I134-F169 HydrophobicContact CD1-CZ 4.11Å; Q165-F169 HydrophobicContact CG-CD2 3.95Å; Q165-F169 HydrophobicContact CG-CE2 4.02Å; Q165-F169 WeakPolarHBondContact O-CD2 3.36Å; Q165-F169 PolarHBondContact O-N 3.25Å; R166-F169 PolarHBondContact O-N 3.49Å; F169-F171 VanDerWaalsContact C-N 3.34Å; F169-F171 PolarHBondContact O-N 3.49Å; F169-L172 PolarHBondContact O-N 3.39Å; F169-L173 WeakPolarHBondContact O-CG 3.44Å; F169-L173 PolarHBondContact O-N 3.33Å
170A80.1Confident75.7Confident51 Ų5193.8 Ų93.842%0.42149%0.491SS..Hα-helixtrans-61.3-41.9176.300000112.1R166 T167 L173 L174R166-A170 PolarHBondContact O-N 3.04Å; T167-A170 PolarHBondContact O-N 3.48Å; A170-L173 PolarHBondContact O-N 3.42Å; A170-L174 WeakPolarHBondContact O-CG 3.48Å; A170-L174 PolarHBondContact O-N 3.42Å
171F81.3Confident74.7Confident123 Ų12395.9 Ų95.954%0.53950%0.495SS..Hα-helixtrans-63.7-40.9177.3-174.8-103.9000112.5T167 L168 F169 L174 L175T167-F171 WeakPolarHBondContact O-CB 3.35Å; T167-F171 PolarHBondContact O-N 2.76Å; L168-F171 PolarHBondContact O-N 3.2Å; F169-F171 VanDerWaalsContact C-N 3.34Å; F169-F171 PolarHBondContact O-N 3.49Å; F171-L174 PolarHBondContact O-N 2.76Å; F171-L175 HydrophobicContact CD1-CD1 3.72Å; F171-L175 HydrophobicContact CD1-CG 4.28Å; F171-L175 HydrophobicContact CE1-CD1 3.36Å; F171-L175 HydrophobicContact CE1-CG 4Å; F171-L175 HydrophobicContact CZ-CD1 4.02Å; F171-L175 HydrophobicContact CZ-CD2 4.4Å; F171-L175 HydrophobicContact CZ-CG 4.25Å; F171-L175 WeakPolarHBondContact O-CG 3.23Å; F171-L175 PolarHBondContact O-N 3.08Å
172L79.2Confident73.8Confident44 Ų4495.5 Ų95.523%0.2351%0.505CS..Hα-helixtrans-67.4-38.7176.8-69.5162.9000112.6L130 L168 F169 L174 L175 Q176L130-L172 HydrophobicContact CD1-CD1 3.3Å; L130-L172 HydrophobicContact CD1-CD2 4.47Å; L130-L172 HydrophobicContact CD2-CD1 4.24Å; L130-L172 HydrophobicContact CG-CD1 4.35Å; L168-L172 HydrophobicContact CG-CD1 4.11Å; L168-L172 WeakPolarHBondContact O-CG 3.42Å; L168-L172 PolarHBondContact O-N 3.4Å; F169-L172 PolarHBondContact O-N 3.39Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L175 PolarHBondContact O-N 3.47Å; L172-Q176 WeakPolarHBondContact O-CB 3.29Å; L172-Q176 PolarHBondContact O-N 3.15Å
173L79.6Confident73.4Confident114 Ų114100.5 Ų100.560%0.59753%0.525SS*.Hα-helixtrans-64.4-39.8173.6-70.5174.6000111.6F169 A170 Q176 A177F169-L173 WeakPolarHBondContact O-CG 3.44Å; F169-L173 PolarHBondContact O-N 3.33Å; A170-L173 PolarHBondContact O-N 3.42Å; L173-Q176 PolarHBondContact O-N 2.89Å; L173-A177 WeakPolarHBondContact O-CB 3.28Å; L173-A177 PolarHBondContact O-N 2.86Å
174L78.2Confident73.6Confident113 Ų113100.2 Ų100.259%0.59252%0.522SS*.Hα-helixtrans-64.2-43.1174.1-75.1167.2000112A170 F171 L172 A177 H178A170-L174 WeakPolarHBondContact O-CG 3.48Å; A170-L174 PolarHBondContact O-N 3.42Å; F171-L174 PolarHBondContact O-N 2.76Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L174-A177 PolarHBondContact O-N 3.36Å; L174-H178 WeakPolarHBondContact O-CB 3.44Å; L174-H178 PolarHBondContact O-N 2.89Å
175L77.5Confident74Confident88 Ų8895.6 Ų95.646%0.46150%0.498SS..Hα-helixtrans-62.2-42.3174.6-76.3174.8000111.9F171 L172 H178 S179F171-L175 HydrophobicContact CD1-CD1 3.72Å; F171-L175 HydrophobicContact CD1-CG 4.28Å; F171-L175 HydrophobicContact CE1-CD1 3.36Å; F171-L175 HydrophobicContact CE1-CG 4Å; F171-L175 HydrophobicContact CZ-CD1 4.02Å; F171-L175 HydrophobicContact CZ-CD2 4.4Å; F171-L175 HydrophobicContact CZ-CG 4.25Å; F171-L175 WeakPolarHBondContact O-CG 3.23Å; F171-L175 PolarHBondContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 3.47Å; L175-H178 PolarHBondContact O-N 3.33Å; L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 2.85Å
176Q71.4Confident74.6Confident91 Ų9193.9 Ų93.943%0.42549%0.489SS..Hα-helixtrans-65.2-43.6176.9-174.3172.1-29.500111.2L172 L173 H178 S179 Q180L172-Q176 WeakPolarHBondContact O-CB 3.29Å; L172-Q176 PolarHBondContact O-N 3.15Å; L173-Q176 PolarHBondContact O-N 2.89Å; Q176-H178 PolarHBondContact O-N 3.49Å; Q176-S179 PolarHBondContact O-N 2.9Å; Q176-S179 PolarHBondContact O-OG 3.29Å; Q176-Q180 PolarHBondContact O-N 3.4Å
177A68.2Low75.2Confident45 Ų4584.2 Ų84.237%0.37245%0.453SS..Hα-helixtrans-60-45.217500000111.5L173 L174 S179 Q180 F181L173-A177 WeakPolarHBondContact O-CB 3.28Å; L173-A177 PolarHBondContact O-N 2.86Å; L174-A177 PolarHBondContact O-N 3.36Å; A177-S179 PolarHBondContact O-N 3.27Å; A177-Q180 PolarHBondContact O-N 3.46Å; A177-F181 VanDerWaalsContact O-CD2 3.23Å; A177-F181 WeakPolarHBondContact O-CD2 3.36Å
178H66.6Low75.9Confident141 Ų14181.6 Ų81.665%0.65343%0.432SS*.Hα-helixtrans-66.1-33.5175.5-89.45.9000113.8L174 L175 Q176 Q180 F181L174-H178 WeakPolarHBondContact O-CB 3.44Å; L174-H178 PolarHBondContact O-N 2.89Å; L175-H178 PolarHBondContact O-N 3.33Å; Q176-H178 PolarHBondContact O-N 3.49Å; H178-Q180 PolarHBondContact O-N 3.49Å; H178-F181 PolarHBondContact O-N 3.4Å; H178-F181 VanDerWaalsContact O-N 3.15Å
179S60.4Low76.3Confident40 Ų4078 Ų7828%0.2841%0.413SS..Hα-helixtrans-65.3-28.6179.372.60000113.1L175 Q176 A177 F181 A182L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 2.85Å; Q176-S179 PolarHBondContact O-N 2.9Å; Q176-S179 PolarHBondContact O-OG 3.29Å; A177-S179 PolarHBondContact O-N 3.27Å; S179-F181 VanDerWaalsContact C-N 3.29Å; S179-F181 PolarHBondContact O-N 2.9Å; S179-A182 PolarHBondContact O-N 2.9Å
180Q56.7Low76.8Confident141 Ų14174 Ų7466%0.65940%0.396SS*.Hα-helixtrans-72.4-23.1176.4-68.8-174-12.600112.8Q176 A177 H178 A182Q176-Q180 PolarHBondContact O-N 3.4Å; A177-Q180 PolarHBondContact O-N 3.46Å; H178-Q180 PolarHBondContact O-N 3.49Å; Q180-A182 VanDerWaalsContact C-N 3.26Å; Q180-A182 PolarHBondContact O-N 3.04Å
181F54.9Low77.1Confident181 Ų18172.6 Ų72.679%0.79438%0.384SS*.THydrogen-bonded Turntrans-80-2.7176.9-77.5-80.1000113.9A177 H178 S179A177-F181 VanDerWaalsContact O-CD2 3.23Å; A177-F181 WeakPolarHBondContact O-CD2 3.36Å; H178-F181 PolarHBondContact O-N 3.4Å; H178-F181 VanDerWaalsContact O-N 3.15Å; S179-F181 VanDerWaalsContact C-N 3.29Å; S179-F181 PolarHBondContact O-N 2.9Å
182A56.7Low76.9Confident81 Ų8169.5 Ų69.567%0.66938%0.375SS*.THydrogen-bonded Turntrans-96.4-2.2-174.100000114.8S179 Q180 A184S179-A182 PolarHBondContact O-N 2.9Å; Q180-A182 VanDerWaalsContact C-N 3.26Å; Q180-A182 PolarHBondContact O-N 3.04Å; A182-A184 PolarHBondContact O-N 2.81Å
183L68.5Low76.4Confident132 Ų13271 Ų7169%0.69139%0.39SS*.  trans-92.9105.3180-64.4174.5000109.5L185L183-L185 PolarHBondContact O-N 3.31Å
184A82.5Confident75.4Confident49 Ų4976 Ų7641%0.40541%0.407SS..  trans-62131.7169.600000109.6A182A182-A184 PolarHBondContact O-N 2.81Å
185L89.2Confident74.3Confident23 Ų2374.5 Ų74.512%0.1242%0.418CS..  trans-56.7141.2175.8179.470.7000109.6L183 C224 N229L183-L185 PolarHBondContact O-N 3.31Å; L185-C224 HydrophobicContact CB-CB 4.05Å; L185-C224 VanDerWaalsContact O-CB 3.24Å; L185-C224 WeakPolarHBondContact O-CB 3.45Å; L185-C224 PolarHBondContact O-N 3.5Å; L185-C224 PolarHBondContact O-SG 3.49Å; L185-N229 VanDerWaalsContact CD2-C 3.48Å
186K92.7Very high73.2Confident55 Ų5571.7 Ų71.724%0.23941%0.408CS..EExtended strand (participates in β ladder)trans-111.3136.8174.7-56.6-174.1-163.9-162.60110.4V222 Y223 C231 D298 L299K186-V222 WeakPolarHBondContact CA-O 3.29Å; K186-Y223 HydrophobicContact CD-CD1 4.32Å; K186-Y223 HydrophobicContact CD-CE1 3.87Å; K186-Y223 HydrophobicContact CG-CD1 4.04Å; K186-Y223 HydrophobicContact CG-CE1 4.11Å; K186-Y223 PolarHBondContact NZ-OH 2.64Å; K186-Y223 VanDerWaalsContact NZ-OH 3.08Å; K186-C231 PolarHBondContact O-SG 3.2Å; K186-D298 PolarHBondContact N-OD1 2.76Å; K186-L299 HydrophobicContact CB-CD2 3.9Å; K186-L299 HydrophobicContact CB-CG 4.22Å; K186-L299 PolarHBondContact O-N 2.78Å
187C93.7Very high72.5Confident0 Ų074.7 Ų74.70%043%0.425CS..EExtended strand (participates in β ladder)trans-129.6161.7175.3-600000111.4V222 C224 C231C187-V222 HydrophobicContact CB-CG2 4.34Å; C187-V222 PolarHBondContact N-O 2.9Å; C187-V222 WeakPolarHBondContact O-CG2 3Å; C187-V222 PolarHBondContact O-N 2.95Å; C187-C224 PolarHBondContact SG-SG 3.09Å; C187-C231 VanDerWaalsContact CA-SG 3.54Å; C187-C231 HydrophobicContact CB-CB 3.84Å; C187-C231 WeakPolarHBondContact CB-SG 3.23Å; C187-C231 WeakPolarHBondContact SG-CA 3.44Å; C187-C231 WeakPolarHBondContact SG-CB 3.45Å; C187-C231 CovalentContact SG-SG 2.03Å; C187-C231 PolarHBondContact SG-SG 3.46Å
188Y94.2Very high72Confident42 Ų4275.7 Ų75.717%0.16542%0.424CS..EExtended strand (participates in β ladder)trans-86.3141.2167-72.9-66.1000111.3F219 E220 K221 K248 L299 N301 F302Y188-F219 HydrophobicContact CD1-CB 3.74Å; Y188-F219 HydrophobicContact CD1-CG 4.47Å; Y188-F219 HydrophobicContact CE1-CB 4.27Å; Y188-F219 HydrophobicContact CG-CB 4.33Å; Y188-E220 CarbonylContact C-O 3.59Å; Y188-E220 WeakPolarHBondContact CA-O 3.49Å; Y188-K221 HydrophobicContact CD1-CG 4.13Å; Y188-K221 HydrophobicContact CE1-CG 3.69Å; Y188-K248 WeakPolarHBondContact O-CB 3.48Å; Y188-L299 HydrophobicContact CD1-CD2 4.34Å; Y188-L299 HydrophobicContact CD2-CB 4.05Å; Y188-L299 HydrophobicContact CD2-CD2 4.18Å; Y188-L299 HydrophobicContact CE1-CD2 4.18Å; Y188-L299 HydrophobicContact CE2-CB 3.55Å; Y188-L299 HydrophobicContact CE2-CD1 4.45Å; Y188-L299 HydrophobicContact CE2-CD2 4.02Å; Y188-L299 HydrophobicContact CE2-CG 4.21Å; Y188-L299 HydrophobicContact CG-CD2 4.34Å; Y188-N301 WeakPolarHBondContact CB-OD1 3.43Å; Y188-N301 PolarHBondContact N-OD1 3.31Å; Y188-N301 PolarHBondContact O-ND2 3.11Å; Y188-F302 HydrophobicContact CD2-CB 3.77Å; Y188-F302 AromaticContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CG 4.24Å; Y188-F302 HydrophobicContact CE2-CB 3.68Å; Y188-F302 AromaticContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CE2 4.47Å; Y188-F302 AromaticContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CG-CD2 4.5Å
189V92.2Very high71.8Confident0 Ų070.7 Ų70.70%040%0.401CS..EExtended strand (participates in β ladder)trans-119.6164.1163-60.40000109.1R206 F219 E220 V222 K248V189-R206 HydrophobicContact CB-CB 4.35Å; V189-R206 HydrophobicContact CB-CG 4.13Å; V189-R206 HydrophobicContact CG1-CG 4.38Å; V189-R206 HydrophobicContact CG2-CG 4.48Å; V189-F219 WeakPolarHBondContact O-CA 3.35Å; V189-E220 HydrophobicContact CG2-CB 3.82Å; V189-E220 PolarHBondContact N-O 3.02Å; V189-E220 PolarHBondContact O-N 3.45Å; V189-V222 HydrophobicContact CB-CG1 4.37Å; V189-V222 HydrophobicContact CG1-CB 4.35Å; V189-V222 HydrophobicContact CG1-CG1 3.79Å; V189-V222 HydrophobicContact CG1-CG2 3.6Å; V189-V222 HydrophobicContact CG2-CG1 3.63Å; V189-K248 WeakPolarHBondContact CG1-O 3.24Å
190C89.1Confident71.8Confident1 Ų172.4 Ų72.41%0.00741%0.41CS..EExtended strand (participates in β ladder)trans-72.2132.6169.7-65.60000110.3R206 T208 C216C190-R206 WeakPolarHBondContact O-CD 3.28Å; C190-R206 PolarHBondContact O-NH1 2.86Å; C190-R206 VanDerWaalsContact O-NH1 3.11Å; C190-T208 WeakPolarHBondContact CB-OG1 2.95Å; C190-C216 HydrophobicContact CB-CB 3.82Å; C190-C216 WeakPolarHBondContact CB-SG 3.36Å; C190-C216 WeakPolarHBondContact SG-CB 3.39Å; C190-C216 CovalentContact SG-SG 2.01Å; C190-C216 PolarHBondContact SG-SG 3.29Å
191A86.2Confident72.1Confident21 Ų2169 Ų6917%0.17440%0.399CS..PPolyproline II helixtrans-67.5136.6175.100000109.5R218 E220A191-R218 HydrophobicContact CB-CB 3.61Å; A191-R218 PolarHBondContact N-O 3.23Å; A191-E220 VanDerWaalsContact CA-OE1 3.28Å; A191-E220 WeakPolarHBondContact CA-OE1 3.06Å; A191-E220 HydrophobicContact CB-CG 3.79Å; A191-E220 VanDerWaalsContact CB-OE1 3.25Å; A191-E220 WeakPolarHBondContact CB-OE1 3.04Å
192T76.9Confident72.7Confident57 Ų5763.8 Ų63.835%0.3538%0.382SS..PPolyproline II helixtrans-87.2128.4174.658.10000108.9H199T192-H199 HydrophobicContact CG2-CB 3.92Å; T192-H199 VanDerWaalsContact CG2-CD2 3.44Å; T192-H199 WeakPolarHBondContact CG2-CD2 3.36Å
193S68.2Low73.3Confident76 Ų7666.3 Ų66.353%0.53138%0.384SS..PPolyproline II helixtrans-76.7134.9165.846.40000108.7G195 A196S193-G195 PolarHBondContact O-N 2.87Å; S193-G195 VanDerWaalsContact O-N 3.09Å; S193-A196 PolarHBondContact O-N 3.42Å; S193-A196 VanDerWaalsContact OG-CB 3.27Å; S193-A196 WeakPolarHBondContact OG-CB 3.36Å
194K60.2Low74Confident220 Ų22062 Ų6296%0.95736%0.362SS*.THydrogen-bonded Turntrans-52.2119.8172.8-70.8-172.1176.8-173.10109.3
195G53.5Low74.3Confident81 Ų8161.2 Ų61.284%0.83535%0.349SS*.THydrogen-bonded Turntrans95.6-2.8179.400000116.3S193 I197S193-G195 PolarHBondContact O-N 2.87Å; S193-G195 VanDerWaalsContact O-N 3.09Å; G195-I197 PolarHBondContact O-N 3.35Å
196A55.3Low74.3Confident29 Ų2962.4 Ų62.424%0.2435%0.352CS..  trans-81.2119.317200000110.4S193 D198S193-A196 PolarHBondContact O-N 3.42Å; S193-A196 VanDerWaalsContact OG-CB 3.27Å; S193-A196 WeakPolarHBondContact OG-CB 3.36Å; A196-D198 PolarHBondContact O-N 3.32Å
197I57.2Low74Confident153 Ų15361.4 Ų61.479%0.78535%0.351SS*.  trans-77.2-2.4173.7-55.6170.6000110.3G195 H199G195-I197 PolarHBondContact O-N 3.35Å; I197-H199 PolarHBondContact O-N 2.96Å
198D57.7Low73.7Confident67 Ų6761.9 Ų61.936%0.35835%0.353SS..  trans-83.917.5-166.2-53.6-31.6000113.8A196 T208 I209A196-D198 PolarHBondContact O-N 3.32Å; D198-T208 WeakPolarHBondContact O-CA 3.17Å; D198-I209 HydrophobicContact CB-CG1 3.84Å; D198-I209 PolarHBondContact O-N 3.01Å; D198-I209 VanDerWaalsContact O-N 3.12Å
199H60.8Low73.3Confident35 Ų3560.7 Ų60.716%0.16235%0.35CS..EExtended strand (participates in β ladder)trans-123.5116.6-174.9-51-67.8000111.5T192 I197 T201 V207 T208T192-H199 HydrophobicContact CG2-CB 3.92Å; T192-H199 VanDerWaalsContact CG2-CD2 3.44Å; T192-H199 WeakPolarHBondContact CG2-CD2 3.36Å; I197-H199 PolarHBondContact O-N 2.96Å; H199-T201 HydrophobicContact CB-CG2 4.25Å; H199-V207 VanDerWaalsContact CA-O 3.27Å; H199-V207 WeakPolarHBondContact CA-O 3.32Å; H199-T208 PolarHBondContact ND1-OG1 3.31Å
200V60.8Low72.9Confident77 Ų7763.8 Ų63.847%0.46737%0.366SS..EExtended strand (participates in β ladder)trans-93.3115162.7-177.60000106.7R206 V207V200-R206 WeakPolarHBondContact O-CA 3.25Å; V200-V207 HydrophobicContact CB-CB 4.45Å; V200-V207 PolarHBondContact N-O 2.69Å; V200-V207 VanDerWaalsContact N-O 3.11Å; V200-V207 PolarHBondContact O-N 3.11Å
201T63.5Low72.8Confident69 Ų6965.3 Ų65.342%0.42337%0.374SS..EExtended strand (participates in β ladder)trans-110.4121.9-179.164.10000109.9H199 R206H199-T201 HydrophobicContact CB-CG2 4.25Å; T201-R206 HydrophobicContact CG2-CB 4.43Å; T201-R206 HydrophobicContact CG2-CG 3.76Å
202T67.7Low72.8Confident72 Ų7275.4 Ų75.444%0.44241%0.408SS..EExtended strand (participates in β ladder)trans-111167.2161.857.90000108.1N204 F205T202-N204 PolarHBondContact O-N 2.79Å; T202-F205 PolarHBondContact N-O 2.94Å; T202-F205 PolarHBondContact O-N 2.99Å
203D68.5Low73.3Confident133 Ų13376.2 Ų76.271%0.71141%0.408SS*.THydrogen-bonded Turntrans-50110.6-176.8-64.2-35.1000111.1F205 Q228D203-F205 VanDerWaalsContact C-N 3.27Å; D203-F205 PolarHBondContact O-N 3.15Å; D203-Q228 PolarHBondContact O-NE2 3.34Å
204N84.3Confident74.3Confident42 Ų4273.3 Ų73.323%0.22539%0.387CS..THydrogen-bonded Turntrans61.515.9-177.9-56.8-49.7000117.5T202 V222 Y223 D225 G249 C250T202-N204 PolarHBondContact O-N 2.79Å; N204-V222 HydrophobicContact CB-CB 4.46Å; N204-V222 HydrophobicContact CB-CG2 4.2Å; N204-Y223 VanDerWaalsContact CG-O 3.29Å; N204-Y223 PolarHBondContact ND2-O 2.97Å; N204-Y223 VanDerWaalsContact ND2-O 3.14Å; N204-Y223 PolarHBondContact OD1-O 3.38Å; N204-D225 PolarHBondContact ND2-OD2 3.26Å; N204-G249 CarbonylContact O-C 3.46Å; N204-G249 WeakPolarHBondContact O-CA 3.2Å; N204-C250 HydrophobicContact CB-CB 3.92Å; N204-C250 PolarHBondContact O-N 3.14Å
205F87.9Confident75.5Confident32 Ų3265.8 Ų65.814%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-133.3132173.3178.9-99.8000112T202 D203 V207 L232 I234 K248T202-F205 PolarHBondContact N-O 2.94Å; T202-F205 PolarHBondContact O-N 2.99Å; D203-F205 VanDerWaalsContact C-N 3.27Å; D203-F205 PolarHBondContact O-N 3.15Å; F205-V207 HydrophobicContact CD1-CG2 4.18Å; F205-V207 HydrophobicContact CE1-CG2 3.33Å; F205-V207 HydrophobicContact CZ-CG2 3.85Å; F205-L232 HydrophobicContact CD2-CD2 4.09Å; F205-L232 HydrophobicContact CE2-CD2 3.63Å; F205-L232 HydrophobicContact CE2-CG 4.04Å; F205-L232 HydrophobicContact CZ-CD2 4.23Å; F205-I234 HydrophobicContact CZ-CD1 4.11Å; F205-K248 VanDerWaalsContact CD2-C 3.49Å; F205-K248 WeakPolarHBondContact CD2-O 3.12Å
206R89.3Confident77.1Confident49 Ų4962.4 Ų62.419%0.18532%0.316CS..EExtended strand (participates in β ladder)trans-130.1129.4-178-58-167.6-179155.40.2111.2V189 C190 V200 T201 E220 G247 K248V189-R206 HydrophobicContact CB-CB 4.35Å; V189-R206 HydrophobicContact CB-CG 4.13Å; V189-R206 HydrophobicContact CG1-CG 4.38Å; V189-R206 HydrophobicContact CG2-CG 4.48Å; C190-R206 WeakPolarHBondContact O-CD 3.28Å; C190-R206 PolarHBondContact O-NH1 2.86Å; C190-R206 VanDerWaalsContact O-NH1 3.11Å; V200-R206 WeakPolarHBondContact O-CA 3.25Å; T201-R206 HydrophobicContact CG2-CB 4.43Å; T201-R206 HydrophobicContact CG2-CG 3.76Å; R206-E220 IonicContact CZ-OE2 3.31Å; R206-E220 IonicContact NH1-OE1 3.44Å; R206-E220 IonicContact NH1-OE2 2.91Å; R206-E220 PolarHBondContact NH1-OE2 3.29Å; R206-E220 IonicContact NH2-OE2 2.69Å; R206-E220 PolarHBondContact NH2-OE2 2.01Å; R206-G247 CarbonylContact O-C 3.58Å; R206-G247 WeakPolarHBondContact O-CA 3.41Å; R206-K248 PolarHBondContact N-O 3.03Å; R206-K248 PolarHBondContact O-N 3.07Å
207V87.2Confident78.4Confident34 Ų3469.8 Ų69.821%0.20635%0.346CS..EExtended strand (participates in β ladder)trans-101.6123.5171.1-174.80000108.7H199 V200 F205 I209 L246H199-V207 VanDerWaalsContact CA-O 3.27Å; H199-V207 WeakPolarHBondContact CA-O 3.32Å; V200-V207 HydrophobicContact CB-CB 4.45Å; V200-V207 PolarHBondContact N-O 2.69Å; V200-V207 VanDerWaalsContact N-O 3.11Å; V200-V207 PolarHBondContact O-N 3.11Å; F205-V207 HydrophobicContact CD1-CG2 4.18Å; F205-V207 HydrophobicContact CE1-CG2 3.33Å; F205-V207 HydrophobicContact CZ-CG2 3.85Å; V207-I209 HydrophobicContact CG1-CG2 4.19Å; V207-L246 CarbonylContact C-O 3.54Å; V207-L246 WeakPolarHBondContact CA-O 3.43Å
208T87.1Confident79.9Confident10 Ų1072 Ų726%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-105.4122.6170.7-51.60000109.1C190 D198 H199 L211 W245 L246C190-T208 WeakPolarHBondContact CB-OG1 2.95Å; D198-T208 WeakPolarHBondContact O-CA 3.17Å; H199-T208 PolarHBondContact ND1-OG1 3.31Å; T208-L211 HydrophobicContact CG2-CD1 4.22Å; T208-L211 HydrophobicContact CG2-CD2 3.67Å; T208-L211 HydrophobicContact CG2-CG 3.98Å; T208-W245 CarbonylContact O-C 3.31Å; T208-W245 WeakPolarHBondContact O-CA 3.49Å; T208-L246 PolarHBondContact N-O 3.36Å; T208-L246 PolarHBondContact O-N 2.82Å
209I85.7Confident81.4Confident16 Ų1671.2 Ų71.28%0.08234%0.338CS..EExtended strand (participates in β ladder)trans-96.5169.3-178.164.1174.5000111.8D198 V207 L211 W245D198-I209 HydrophobicContact CB-CG1 3.84Å; D198-I209 PolarHBondContact O-N 3.01Å; D198-I209 VanDerWaalsContact O-N 3.12Å; V207-I209 HydrophobicContact CG1-CG2 4.19Å; I209-L211 PolarHBondContact O-N 2.04Å; I209-L211 VanDerWaalsContact O-N 3.12Å; I209-W245 HydrophobicContact CB-CD2 4.46Å; I209-W245 HydrophobicContact CB-CG 4.15Å; I209-W245 HydrophobicContact CG2-CD2 3.97Å; I209-W245 HydrophobicContact CG2-CG 3.92Å
210D84.6Confident82.8Confident66 Ų6673 Ų7335%0.35335%0.346SS..EExtended strand (participates in β ladder)trans54.232.3172.1-61.8-28.5000115.8R26 T243 Y244R26-D210 IonicContact NH1-OD2 2.76Å; R26-D210 PolarHBondContact NH1-OD2 3.2Å; D210-T243 PolarHBondContact OD1-OG1 2.03Å; D210-Y244 PolarHBondContact N-O 3.27Å
211L85.7Confident84.3Confident33 Ų3374.1 Ų74.117%0.17335%0.345CS..EExtended strand (participates in β ladder)trans-74.5139.7176.5-63.3172.5000111.3T208 I209 Q213 Y244 L246T208-L211 HydrophobicContact CG2-CD1 4.22Å; T208-L211 HydrophobicContact CG2-CD2 3.67Å; T208-L211 HydrophobicContact CG2-CG 3.98Å; I209-L211 PolarHBondContact O-N 2.04Å; I209-L211 VanDerWaalsContact O-N 3.12Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 WeakPolarHBondContact CB-O 3.13Å; L211-Q213 PolarHBondContact O-N 3.48Å; L211-Y244 VanDerWaalsContact CB-O 3.32Å; L211-Y244 WeakPolarHBondContact CB-O 3.31Å; L211-Y244 PolarHBondContact N-O 2.87Å; L211-Y244 PolarHBondContact O-N 3.39Å; L211-L246 HydrophobicContact CD1-CB 3.45Å; L211-L246 VanDerWaalsContact CD1-CB 3.45Å; L211-L246 HydrophobicContact CD1-CD2 4.06Å; L211-L246 HydrophobicContact CD1-CG 4.4Å
212R87.3Confident85.6Confident232 Ų23271.7 Ų71.788%0.87533%0.33SS*.SBendtrans-74.2-19.2172.2-66.1-173.8179.7-175.9-0.1113.5
213Q87.6Confident86.8Confident75 Ų7574.6 Ų74.635%0.3533%0.334SS..SBendtrans-142.5152.7-176-58.7-17231.700109.5L211 Y215L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 WeakPolarHBondContact CB-O 3.13Å; L211-Q213 PolarHBondContact O-N 3.48Å; Q213-Y215 HydrophobicContact CB-CD1 3.84Å; Q213-Y215 HydrophobicContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CD-OH 3.3Å; Q213-Y215 HydrophobicContact CG-CE1 4.18Å; Q213-Y215 PolarHBondContact O-N 2.84Å; Q213-Y215 PolarHBondContact OE1-OH 2.98Å
214P87.7Confident87.8Confident14 Ų1468.5 Ų68.59%0.09130%0.301CS..SBendtrans-78.739-173.633.8-38.2000113.5P50 V51 V235 Y244P50-P214 HydrophobicContact CG-CB 4.38Å; P50-P214 HydrophobicContact CG-CG 4.2Å; V51-P214 HydrophobicContact CG2-CG 4.23Å; P214-V235 HydrophobicContact CB-CG1 3.74Å; P214-Y244 HydrophobicContact CB-CD1 3.84Å; P214-Y244 HydrophobicContact CB-CE1 4.1Å; P214-Y244 HydrophobicContact CB-CG 4.19Å; P214-Y244 HydrophobicContact CG-CE1 4.38Å
215Y87.1Confident88Confident63 Ų6370 Ų7025%0.24731%0.309CS..SBendtrans-152.1158.9177.564-93.5000111.5Q213 R305Q213-Y215 HydrophobicContact CB-CD1 3.84Å; Q213-Y215 HydrophobicContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CD-OH 3.3Å; Q213-Y215 HydrophobicContact CG-CE1 4.18Å; Q213-Y215 PolarHBondContact O-N 2.84Å; Q213-Y215 PolarHBondContact OE1-OH 2.98Å; Y215-R305 HydrophobicContact CE1-CG 4.42Å
216C85.5Confident87.9Confident9 Ų980.9 Ų80.96%0.06135%0.349CS..  trans-92140.2175-71.40000110.8C190 R218 F219 L246C190-C216 HydrophobicContact CB-CB 3.82Å; C190-C216 WeakPolarHBondContact CB-SG 3.36Å; C190-C216 WeakPolarHBondContact SG-CB 3.39Å; C190-C216 CovalentContact SG-SG 2.01Å; C190-C216 PolarHBondContact SG-SG 3.29Å; C216-R218 VanDerWaalsContact C-N 3.25Å; C216-R218 PolarHBondContact O-N 3.18Å; C216-F219 HydrophobicContact CB-CD1 4.4Å; C216-F219 HydrophobicContact CB-CE1 3.97Å; C216-F219 HydrophobicContact CB-CZ 4.16Å; C216-F219 WeakPolarHBondContact O-CE2 3.46Å; C216-L246 HydrophobicContact CB-CD2 4.38Å; C216-L246 WeakPolarHBondContact SG-CD2 3.36Å
217Q83.9Confident87.7Confident185 Ų18583.5 Ų83.586%0.86437%0.367SS*.SBendtrans-69.3-29.1176.7-65.3-176.33.100112
218R87.4Confident87.8Confident198 Ų19883.1 Ų83.175%0.74736%0.363SS*.SBendtrans-134.9138.6-179.5-67.6-176.8-177.4174.61.5109.5A191 C216A191-R218 HydrophobicContact CB-CB 3.61Å; A191-R218 PolarHBondContact N-O 3.23Å; C216-R218 VanDerWaalsContact C-N 3.25Å; C216-R218 PolarHBondContact O-N 3.18Å
219F89.2Confident87.8Confident52 Ų5285.6 Ų85.623%0.22838%0.376CS..EExtended strand (participates in β ladder)trans-116.4144.5178.3-65.3-81.1000110Y188 V189 C216 K248 F302 A303Y188-F219 HydrophobicContact CD1-CB 3.74Å; Y188-F219 HydrophobicContact CD1-CG 4.47Å; Y188-F219 HydrophobicContact CE1-CB 4.27Å; Y188-F219 HydrophobicContact CG-CB 4.33Å; V189-F219 WeakPolarHBondContact O-CA 3.35Å; C216-F219 HydrophobicContact CB-CD1 4.4Å; C216-F219 HydrophobicContact CB-CE1 3.97Å; C216-F219 HydrophobicContact CB-CZ 4.16Å; C216-F219 WeakPolarHBondContact O-CE2 3.46Å; F219-K248 HydrophobicContact CD1-CD 4.42Å; F219-K248 HydrophobicContact CE1-CD 3.85Å; F219-F302 HydrophobicContact CD2-CD2 4.38Å; F219-F302 AromaticContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CE2-CD2 4.48Å; F219-F302 HydrophobicContact CE2-CE2 4.1Å; F219-A303 WeakPolarHBondContact CZ-O 3.49Å
220E90.6Very high88Confident71 Ų7184.9 Ų84.933%0.33237%0.372SS..EExtended strand (participates in β ladder)trans-116.6146.2169.8-78.5168.1-153.300109Y188 V189 A191 R206Y188-E220 CarbonylContact C-O 3.59Å; Y188-E220 WeakPolarHBondContact CA-O 3.49Å; V189-E220 HydrophobicContact CG2-CB 3.82Å; V189-E220 PolarHBondContact N-O 3.02Å; V189-E220 PolarHBondContact O-N 3.45Å; A191-E220 VanDerWaalsContact CA-OE1 3.28Å; A191-E220 WeakPolarHBondContact CA-OE1 3.06Å; A191-E220 HydrophobicContact CB-CG 3.79Å; A191-E220 VanDerWaalsContact CB-OE1 3.25Å; A191-E220 WeakPolarHBondContact CB-OE1 3.04Å; R206-E220 IonicContact CZ-OE2 3.31Å; R206-E220 IonicContact NH1-OE1 3.44Å; R206-E220 IonicContact NH1-OE2 2.91Å; R206-E220 PolarHBondContact NH1-OE2 3.29Å; R206-E220 IonicContact NH2-OE2 2.69Å; R206-E220 PolarHBondContact NH2-OE2 2.01Å
221K92.2Very high88.3Confident102 Ų10281.7 Ų81.744%0.44336%0.355SS..EExtended strand (participates in β ladder)trans-89.7134.5174.2-59179.4-170.6176.70108.7D112 Y188 L299D112-K221 IonicContact OD2-NZ 3.94Å; D112-K221 PolarHBondContact OD2-NZ 3.47Å; Y188-K221 HydrophobicContact CD1-CG 4.13Å; Y188-K221 HydrophobicContact CE1-CG 3.69Å; K221-L299 HydrophobicContact CB-CD2 4.38Å; K221-L299 HydrophobicContact CD-CD1 4.16Å; K221-L299 HydrophobicContact CD-CD2 4.29Å; K221-L299 HydrophobicContact CG-CD2 3.98Å
222V91.7Very high88.6Confident18 Ų1881.1 Ų81.111%0.10935%0.352CS..EExtended strand (participates in β ladder)trans-121.3149.1172.2-63.80000110.1K186 C187 V189 N204K186-V222 WeakPolarHBondContact CA-O 3.29Å; C187-V222 HydrophobicContact CB-CG2 4.34Å; C187-V222 PolarHBondContact N-O 2.9Å; C187-V222 WeakPolarHBondContact O-CG2 3Å; C187-V222 PolarHBondContact O-N 2.95Å; V189-V222 HydrophobicContact CB-CG1 4.37Å; V189-V222 HydrophobicContact CG1-CB 4.35Å; V189-V222 HydrophobicContact CG1-CG1 3.79Å; V189-V222 HydrophobicContact CG1-CG2 3.6Å; V189-V222 HydrophobicContact CG2-CG1 3.63Å; N204-V222 HydrophobicContact CB-CB 4.46Å; N204-V222 HydrophobicContact CB-CG2 4.2Å
223Y92Very high88.8Confident133 Ų13370.3 Ų70.352%0.52231%0.312SS..EExtended strand (participates in β ladder)trans-92.3122.8171.4-69.6-93.8000107.5K186 N204K186-Y223 HydrophobicContact CD-CD1 4.32Å; K186-Y223 HydrophobicContact CD-CE1 3.87Å; K186-Y223 HydrophobicContact CG-CD1 4.04Å; K186-Y223 HydrophobicContact CG-CE1 4.11Å; K186-Y223 PolarHBondContact NZ-OH 2.64Å; K186-Y223 VanDerWaalsContact NZ-OH 3.08Å; N204-Y223 VanDerWaalsContact CG-O 3.29Å; N204-Y223 PolarHBondContact ND2-O 2.97Å; N204-Y223 VanDerWaalsContact ND2-O 3.14Å; N204-Y223 PolarHBondContact OD1-O 3.38Å
224C90.5Very high88.9Confident5 Ų567.8 Ų67.83%0.03430%0.301CS..PPolyproline II helixtrans-71.4148.8177.1-56.80000110.8L185 C187 Q228 C250L185-C224 HydrophobicContact CB-CB 4.05Å; L185-C224 VanDerWaalsContact O-CB 3.24Å; L185-C224 WeakPolarHBondContact O-CB 3.45Å; L185-C224 PolarHBondContact O-N 3.5Å; L185-C224 PolarHBondContact O-SG 3.49Å; C187-C224 PolarHBondContact SG-SG 3.09Å; C224-Q228 HydrophobicContact CB-CB 3.8Å; C224-C250 WeakPolarHBondContact CA-SG 3.08Å; C224-C250 HydrophobicContact CB-CB 3.67Å; C224-C250 WeakPolarHBondContact CB-SG 3.37Å; C224-C250 WeakPolarHBondContact SG-CB 3.48Å; C224-C250 CovalentContact SG-SG 2.04Å; C224-C250 PolarHBondContact SG-SG 3.17Å
225D88.5Confident89Confident72 Ų7267.7 Ų67.739%0.38530%0.3SS..PPolyproline II helixtrans-69.1164.7173-64.6-53.1000111N204 D227 Q228N204-D225 PolarHBondContact ND2-OD2 3.26Å; D225-D227 WeakPolarHBondContact CB-OD1 3.39Å; D225-D227 PolarHBondContact O-N 3.03Å; D225-D227 VanDerWaalsContact O-N 3.15Å; D225-Q228 HydrophobicContact CB-CG 4.29Å; D225-Q228 WeakPolarHBondContact O-CB 3.34Å; D225-Q228 PolarHBondContact O-N 2.91Å
226R84.9Confident89Confident261 Ų26165.1 Ų65.199%0.98529%0.291SS*.THydrogen-bonded Turntrans-63.3-23.7-173.6-67.5-176.6178.9-175.20.3113.7
227D85.4Confident89.1Confident104 Ų10467.6 Ų67.656%0.55630%0.3SS*.THydrogen-bonded Turntrans-87.3-12.1177.562.8-39.4000112.9D225 S252D225-D227 WeakPolarHBondContact CB-OD1 3.39Å; D225-D227 PolarHBondContact O-N 3.03Å; D225-D227 VanDerWaalsContact O-N 3.15Å; D227-S252 WeakPolarHBondContact O-CB 2.95Å; D227-S252 PolarHBondContact O-OG 2.91Å
228Q88.7Confident89.1Confident26 Ų2658.8 Ų58.812%0.12126%0.259CS..  trans-96.7108.2-179.4-66174.8-18.900110.4D203 C224 D225 C250 T251D203-Q228 PolarHBondContact O-NE2 3.34Å; C224-Q228 HydrophobicContact CB-CB 3.8Å; D225-Q228 HydrophobicContact CB-CG 4.29Å; D225-Q228 WeakPolarHBondContact O-CB 3.34Å; D225-Q228 PolarHBondContact O-N 2.91Å; Q228-C250 HydrophobicContact CB-CB 3.98Å; Q228-C250 VanDerWaalsContact CD-CB 3.44Å; Q228-C250 HydrophobicContact CG-CB 4.17Å; Q228-T251 CarbonylContact C-O 3.59Å; Q228-T251 VanDerWaalsContact CA-O 3.3Å; Q228-T251 WeakPolarHBondContact CA-O 3.41Å
229N87.4Confident88.8Confident63 Ų6354.8 Ų54.834%0.33724%0.244SC..  trans-111.87.9-173.765.7-10.2000113.9L185 T251 V253L185-N229 VanDerWaalsContact CD2-C 3.48Å; N229-T251 PolarHBondContact N-O 2.83Å; N229-T251 VanDerWaalsContact N-O 3.1Å; N229-V253 PolarHBondContact ND2-O 2.88Å; N229-V253 PolarHBondContact OD1-N 3.43Å; N229-V253 PolarHBondContact OD1-O 3.15Å
230A89.4Confident88.3Confident0 Ų057.4 Ų57.40%026%0.257CS..EExtended strand (participates in β ladder)trans-145.4150.117700000112.4T251 V253 L294 C295A230-T251 HydrophobicContact CB-CG2 4.05Å; A230-T251 PolarHBondContact N-O 2.64Å; A230-T251 VanDerWaalsContact N-O 3.11Å; A230-T251 PolarHBondContact O-N 3.4Å; A230-V253 HydrophobicContact CB-CG2 3.98Å; A230-L294 HydrophobicContact CB-CD2 4.42Å; A230-C295 CarbonylContact C-O 3.58Å; A230-C295 WeakPolarHBondContact CA-O 3.36Å
231C92.4Very high88Confident0 Ų056.8 Ų56.80%026%0.261CS..EExtended strand (participates in β ladder)trans-87.3135.7164.5-57.40000110.4K186 C187 G249 L294 C295 N301K186-C231 PolarHBondContact O-SG 3.2Å; C187-C231 VanDerWaalsContact CA-SG 3.54Å; C187-C231 HydrophobicContact CB-CB 3.84Å; C187-C231 WeakPolarHBondContact CB-SG 3.23Å; C187-C231 WeakPolarHBondContact SG-CA 3.44Å; C187-C231 WeakPolarHBondContact SG-CB 3.45Å; C187-C231 CovalentContact SG-SG 2.03Å; C187-C231 PolarHBondContact SG-SG 3.46Å; C231-G249 CarbonylContact C-O 3.48Å; C231-G249 WeakPolarHBondContact CA-O 3.42Å; C231-L294 WeakPolarHBondContact O-CA 3.05Å; C231-C295 PolarHBondContact N-O 3.29Å; C231-C295 PolarHBondContact O-N 2.92Å; C231-C295 VanDerWaalsContact O-N 3.07Å; C231-N301 HydrophobicContact CB-CB 3.74Å
232L91.3Very high87.7Confident20 Ų2061.6 Ų61.611%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-110.7142.7-179.4178.461.6000110.7F205 I234 K248 G249 T251 V292 L294 N301F205-L232 HydrophobicContact CD2-CD2 4.09Å; F205-L232 HydrophobicContact CE2-CD2 3.63Å; F205-L232 HydrophobicContact CE2-CG 4.04Å; F205-L232 HydrophobicContact CZ-CD2 4.23Å; L232-I234 HydrophobicContact CD1-CD1 4.22Å; L232-I234 HydrophobicContact CD1-CG1 3.83Å; L232-I234 HydrophobicContact CD2-CD1 3.85Å; L232-I234 HydrophobicContact CD2-CG1 4.21Å; L232-I234 HydrophobicContact CG-CD1 4.19Å; L232-I234 HydrophobicContact CG-CG1 3.97Å; L232-K248 WeakPolarHBondContact O-CA 3.37Å; L232-G249 PolarHBondContact N-O 3.17Å; L232-G249 PolarHBondContact O-N 3.44Å; L232-T251 HydrophobicContact CB-CG2 3.79Å; L232-T251 HydrophobicContact CD2-CG2 4.4Å; L232-V292 HydrophobicContact CD1-CG1 3.7Å; L232-L294 HydrophobicContact CB-CD2 4.19Å; L232-L294 HydrophobicContact CD1-CD2 3.65Å; L232-L294 HydrophobicContact CD1-CG 4.22Å; L232-L294 HydrophobicContact CG-CD2 4.5Å; L232-N301 PolarHBondContact O-ND2 3.06Å
233T91.3Very high87.6Confident5 Ų561.9 Ų61.93%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-133.9126.2163.3-65.30000109.1V235 L246 G247 K248 V292 C293T233-V235 HydrophobicContact CG2-CG2 4.16Å; T233-L246 HydrophobicContact CG2-CD1 4Å; T233-G247 CarbonylContact C-O 3.59Å; T233-G247 VanDerWaalsContact CA-O 3.31Å; T233-G247 WeakPolarHBondContact CA-O 3.3Å; T233-K248 HydrophobicContact CG2-CG 4.21Å; T233-K248 VanDerWaalsContact CG2-NZ 3.3Å; T233-K248 PolarHBondContact OG1-NZ 2.74Å; T233-V292 CarbonylContact O-C 3.59Å; T233-V292 WeakPolarHBondContact O-CA 3.02Å; T233-C293 PolarHBondContact N-O 2.92Å; T233-C293 PolarHBondContact O-N 3.22Å
234I89.7Confident87.3Confident23 Ų2358.5 Ų58.512%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-119.6122174.9-63.7176.9000107.3F205 L232 L246 G247 Q290 D291 V292F205-I234 HydrophobicContact CZ-CD1 4.11Å; L232-I234 HydrophobicContact CD1-CD1 4.22Å; L232-I234 HydrophobicContact CD1-CG1 3.83Å; L232-I234 HydrophobicContact CD2-CD1 3.85Å; L232-I234 HydrophobicContact CD2-CG1 4.21Å; L232-I234 HydrophobicContact CG-CD1 4.19Å; L232-I234 HydrophobicContact CG-CG1 3.97Å; I234-L246 CarbonylContact O-C 3.52Å; I234-L246 VanDerWaalsContact O-CA 3.32Å; I234-L246 WeakPolarHBondContact O-CA 3.48Å; I234-G247 PolarHBondContact N-O 2.75Å; I234-G247 PolarHBondContact O-N 2.83Å; I234-Q290 HydrophobicContact CG2-CG 3.83Å; I234-Q290 VanDerWaalsContact CG2-NE2 3.25Å; I234-D291 CarbonylContact C-O 3.58Å; I234-D291 WeakPolarHBondContact CA-O 3.43Å; I234-V292 HydrophobicContact CG1-CG1 4.25Å; I234-V292 HydrophobicContact CG1-CG2 4.28Å
235V89.7Confident87.3Confident12 Ų1259.1 Ų59.17%0.07327%0.266CS..EExtended strand (participates in β ladder)trans-114.5116.8171.5-176.10000107.6P214 T233 Y244 W245 L246 Q290 D291P214-V235 HydrophobicContact CB-CG1 3.74Å; T233-V235 HydrophobicContact CG2-CG2 4.16Å; V235-Y244 HydrophobicContact CG1-CD1 4.06Å; V235-W245 CarbonylContact C-O 3.51Å; V235-W245 WeakPolarHBondContact CA-O 2.98Å; V235-L246 HydrophobicContact CG2-CD1 3.82Å; V235-Q290 CarbonylContact O-C 3.55Å; V235-Q290 VanDerWaalsContact O-CA 3.28Å; V235-Q290 WeakPolarHBondContact O-CA 3.27Å; V235-D291 HydrophobicContact CB-CB 4.38Å; V235-D291 PolarHBondContact N-O 2.9Å; V235-D291 PolarHBondContact O-N 3.46Å
236T87.7Confident87.3Confident9 Ų955.7 Ų55.76%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-109.7127.5172.3-52.30000108.7L238 Y244 W245 T288 V289 Q290T236-L238 HydrophobicContact CG2-CD1 3.93Å; T236-Y244 CarbonylContact O-C 3.51Å; T236-Y244 VanDerWaalsContact O-CA 3.29Å; T236-Y244 WeakPolarHBondContact O-CA 3.34Å; T236-W245 PolarHBondContact N-O 2.01Å; T236-W245 PolarHBondContact O-N 2.83Å; T236-T288 HydrophobicContact CG2-CG2 3.97Å; T236-V289 WeakPolarHBondContact CA-O 3.44Å; T236-Q290 PolarHBondContact OG1-NE2 3.34Å
237F86.5Confident87.6Confident60 Ų6043.4 Ų43.426%0.26320%0.202SC..EExtended strand (participates in β ladder)trans-100.5121.9171178.8-115.4000110.3R239 Y244 V289F237-R239 HydrophobicContact CD1-CG 4.16Å; F237-R239 HydrophobicContact CE1-CG 3.95Å; F237-Y244 HydrophobicContact CB-CD1 4.03Å; F237-Y244 HydrophobicContact CB-CE1 3.93Å; F237-Y244 AromaticContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD2 4.34Å; F237-Y244 AromaticContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE2 4.03Å; F237-Y244 HydrophobicContact CD2-CG 4.22Å; F237-Y244 AromaticContact CD2-CZ 3.53Å; F237-Y244 HydrophobicContact CE2-CE1 4.2Å; F237-Y244 HydrophobicContact CE2-CE2 4.17Å; F237-Y244 AromaticContact CE2-CZ 3.87Å; F237-Y244 HydrophobicContact CG-CD1 4.34Å; F237-Y244 AromaticContact CG-CE1 3.94Å; F237-Y244 HydrophobicContact CG-CE1 3.94Å; F237-V289 PolarHBondContact N-O 2.89Å; F237-V289 PolarHBondContact O-N 3.39Å
238L83.9Confident88Confident1 Ų138.5 Ų38.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-94.4113.7176-80.575.4000109T236 E240 S241 R242 T243 W245 E271 T288T236-L238 HydrophobicContact CG2-CD1 3.93Å; L238-E240 PolarHBondContact O-N 2.69Å; L238-S241 VanDerWaalsContact CB-OG 3.26Å; L238-S241 WeakPolarHBondContact CB-OG 3.09Å; L238-R242 VanDerWaalsContact O-CA 3.25Å; L238-R242 WeakPolarHBondContact O-CA 3.14Å; L238-R242 PolarHBondContact O-N 2.92Å; L238-T243 PolarHBondContact N-O 3.1Å; L238-T243 PolarHBondContact O-N 2.79Å; L238-W245 HydrophobicContact CD1-CD2 3.65Å; L238-W245 HydrophobicContact CD1-CE3 4.14Å; L238-W245 HydrophobicContact CD1-CG 3.86Å; L238-W245 HydrophobicContact CD1-CH2 4.43Å; L238-W245 HydrophobicContact CD1-CZ2 4.08Å; L238-W245 HydrophobicContact CD1-CZ3 4.49Å; L238-W245 HydrophobicContact CD2-CD2 4.45Å; L238-W245 HydrophobicContact CD2-CH2 3.96Å; L238-W245 HydrophobicContact CD2-CZ2 3.36Å; L238-W245 HydrophobicContact CG-CZ2 4.35Å; L238-E271 WeakPolarHBondContact CD2-OE1 3.35Å; L238-T288 HydrophobicContact CD1-CG2 4.48Å; L238-T288 HydrophobicContact CG-CG2 4.2Å
239R81.3Confident88.2Confident114 Ų11437.2 Ų37.243%0.4317%0.17SC..THydrogen-bonded Turntrans-66.4-37.4-176.8-73.6-177172.7169.8-2.3112.9F237 D287F237-R239 HydrophobicContact CD1-CG 4.16Å; F237-R239 HydrophobicContact CE1-CG 3.95Å; R239-D287 IonicContact NH1-OD2 3.14Å; R239-D287 PolarHBondContact NH1-OD2 3.34Å; R239-D287 VanDerWaalsContact NH1-OD2 3.14Å
240E79.8Confident88.4Confident107 Ų10734.5 Ų34.550%0.516%0.156SC..THydrogen-bonded Turntrans-66.7-51.1-175.2-64.7179.4-159.700111.9L238 G286L238-E240 PolarHBondContact O-N 2.69Å; E240-G286 VanDerWaalsContact OE1-CA 3.27Å; E240-G286 WeakPolarHBondContact OE1-CA 3.45Å
241S83.8Confident88.4Confident58 Ų5836.2 Ų36.241%0.40617%0.166SC..THydrogen-bonded Turntrans-82.7-14.7178.959.50000113.6L238 T243L238-S241 VanDerWaalsContact CB-OG 3.26Å; L238-S241 WeakPolarHBondContact CB-OG 3.09Å; S241-T243 WeakPolarHBondContact CB-OG1 3.47Å; S241-T243 PolarHBondContact O-N 3.2Å; S241-T243 PolarHBondContact OG-N 3.11Å; S241-T243 PolarHBondContact OG-OG1 2.83Å
242R86.3Confident88.2Confident203 Ų20339.5 Ų39.577%0.76619%0.189SC*.THydrogen-bonded Turntrans53.332-166.5-55.9-177.1175.9-167.4-2.2112.6L238L238-R242 VanDerWaalsContact O-CA 3.25Å; L238-R242 WeakPolarHBondContact O-CA 3.14Å; L238-R242 PolarHBondContact O-N 2.92Å
243T88.2Confident87.8Confident23 Ų2339.2 Ų39.214%0.14119%0.188CC..EExtended strand (participates in β ladder)trans-107.4161177630000111.8D210 L238 S241D210-T243 PolarHBondContact OD1-OG1 2.03Å; L238-T243 PolarHBondContact N-O 3.1Å; L238-T243 PolarHBondContact O-N 2.79Å; S241-T243 WeakPolarHBondContact CB-OG1 3.47Å; S241-T243 PolarHBondContact O-N 3.2Å; S241-T243 PolarHBondContact OG-N 3.11Å; S241-T243 PolarHBondContact OG-OG1 2.83Å
244Y87.5Confident87.2Confident63 Ų6341.8 Ų41.825%0.24721%0.21CC..EExtended strand (participates in β ladder)trans-109.9140.7174.9-62.9-90.7000109.7D210 L211 P214 V235 T236 F237D210-Y244 PolarHBondContact N-O 3.27Å; L211-Y244 VanDerWaalsContact CB-O 3.32Å; L211-Y244 WeakPolarHBondContact CB-O 3.31Å; L211-Y244 PolarHBondContact N-O 2.87Å; L211-Y244 PolarHBondContact O-N 3.39Å; P214-Y244 HydrophobicContact CB-CD1 3.84Å; P214-Y244 HydrophobicContact CB-CE1 4.1Å; P214-Y244 HydrophobicContact CB-CG 4.19Å; P214-Y244 HydrophobicContact CG-CE1 4.38Å; V235-Y244 HydrophobicContact CG1-CD1 4.06Å; T236-Y244 CarbonylContact O-C 3.51Å; T236-Y244 VanDerWaalsContact O-CA 3.29Å; T236-Y244 WeakPolarHBondContact O-CA 3.34Å; F237-Y244 HydrophobicContact CB-CD1 4.03Å; F237-Y244 HydrophobicContact CB-CE1 3.93Å; F237-Y244 AromaticContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD2 4.34Å; F237-Y244 AromaticContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE2 4.03Å; F237-Y244 HydrophobicContact CD2-CG 4.22Å; F237-Y244 AromaticContact CD2-CZ 3.53Å; F237-Y244 HydrophobicContact CE2-CE1 4.2Å; F237-Y244 HydrophobicContact CE2-CE2 4.17Å; F237-Y244 AromaticContact CE2-CZ 3.87Å; F237-Y244 HydrophobicContact CG-CD1 4.34Å; F237-Y244 AromaticContact CG-CE1 3.94Å; F237-Y244 HydrophobicContact CG-CE1 3.94Å
245W89.1Confident86.1Confident17 Ų1746.8 Ų46.86%0.06424%0.244CC..EExtended strand (participates in β ladder)trans-106.5136.4162.4-60.5-4.7000108.8I28 T208 I209 V235 T236 L238I28-W245 HydrophobicContact CD1-CH2 3.19Å; I28-W245 HydrophobicContact CD1-CZ2 3.56Å; I28-W245 HydrophobicContact CD1-CZ3 3.76Å; I28-W245 HydrophobicContact CG1-CH2 4.29Å; I28-W245 HydrophobicContact CG2-CH2 3.77Å; I28-W245 HydrophobicContact CG2-CZ3 3.79Å; T208-W245 CarbonylContact O-C 3.31Å; T208-W245 WeakPolarHBondContact O-CA 3.49Å; I209-W245 HydrophobicContact CB-CD2 4.46Å; I209-W245 HydrophobicContact CB-CG 4.15Å; I209-W245 HydrophobicContact CG2-CD2 3.97Å; I209-W245 HydrophobicContact CG2-CG 3.92Å; V235-W245 CarbonylContact C-O 3.51Å; V235-W245 WeakPolarHBondContact CA-O 2.98Å; T236-W245 PolarHBondContact N-O 2.01Å; T236-W245 PolarHBondContact O-N 2.83Å; L238-W245 HydrophobicContact CD1-CD2 3.65Å; L238-W245 HydrophobicContact CD1-CE3 4.14Å; L238-W245 HydrophobicContact CD1-CG 3.86Å; L238-W245 HydrophobicContact CD1-CH2 4.43Å; L238-W245 HydrophobicContact CD1-CZ2 4.08Å; L238-W245 HydrophobicContact CD1-CZ3 4.49Å; L238-W245 HydrophobicContact CD2-CD2 4.45Å; L238-W245 HydrophobicContact CD2-CH2 3.96Å; L238-W245 HydrophobicContact CD2-CZ2 3.36Å; L238-W245 HydrophobicContact CG-CZ2 4.35Å
246L89.6Confident84.8Confident1 Ų152.7 Ų52.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-128.1109.4-176.4178.260.4000110.2V207 T208 L211 C216 T233 I234 V235 K248V207-L246 CarbonylContact C-O 3.54Å; V207-L246 WeakPolarHBondContact CA-O 3.43Å; T208-L246 PolarHBondContact N-O 3.36Å; T208-L246 PolarHBondContact O-N 2.82Å; L211-L246 HydrophobicContact CD1-CB 3.45Å; L211-L246 VanDerWaalsContact CD1-CB 3.45Å; L211-L246 HydrophobicContact CD1-CD2 4.06Å; L211-L246 HydrophobicContact CD1-CG 4.4Å; C216-L246 HydrophobicContact CB-CD2 4.38Å; C216-L246 WeakPolarHBondContact SG-CD2 3.36Å; T233-L246 HydrophobicContact CG2-CD1 4Å; I234-L246 CarbonylContact O-C 3.52Å; I234-L246 VanDerWaalsContact O-CA 3.32Å; I234-L246 WeakPolarHBondContact O-CA 3.48Å; V235-L246 HydrophobicContact CG2-CD1 3.82Å; L246-K248 HydrophobicContact CD1-CD 4.46Å; L246-K248 HydrophobicContact CD1-CG 4.08Å; L246-K248 HydrophobicContact CG-CG 4.27Å
247G90.8Very high83.5Confident2 Ų254.3 Ų54.32%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-92.1129.2167.600000111R206 T233 I234R206-G247 CarbonylContact O-C 3.58Å; R206-G247 WeakPolarHBondContact O-CA 3.41Å; T233-G247 CarbonylContact C-O 3.59Å; T233-G247 VanDerWaalsContact CA-O 3.31Å; T233-G247 WeakPolarHBondContact CA-O 3.3Å; I234-G247 PolarHBondContact N-O 2.75Å; I234-G247 PolarHBondContact O-N 2.83Å
248K93.1Very high82.2Confident1 Ų161 Ų610%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-139.8144.7170.6-74.5-173.8173.9-700110.7Y188 V189 F205 R206 F219 L232 T233 L246 N301Y188-K248 WeakPolarHBondContact O-CB 3.48Å; V189-K248 WeakPolarHBondContact CG1-O 3.24Å; F205-K248 VanDerWaalsContact CD2-C 3.49Å; F205-K248 WeakPolarHBondContact CD2-O 3.12Å; R206-K248 PolarHBondContact N-O 3.03Å; R206-K248 PolarHBondContact O-N 3.07Å; F219-K248 HydrophobicContact CD1-CD 4.42Å; F219-K248 HydrophobicContact CE1-CD 3.85Å; L232-K248 WeakPolarHBondContact O-CA 3.37Å; T233-K248 HydrophobicContact CG2-CG 4.21Å; T233-K248 VanDerWaalsContact CG2-NZ 3.3Å; T233-K248 PolarHBondContact OG1-NZ 2.74Å; L246-K248 HydrophobicContact CD1-CD 4.46Å; L246-K248 HydrophobicContact CD1-CG 4.08Å; L246-K248 HydrophobicContact CG-CG 4.27Å; K248-N301 PolarHBondContact NZ-O 2.56Å
249G93.1Very high81.1Confident0 Ų062.5 Ų62.50%033%0.334CS..EExtended strand (participates in β ladder)trans159-155.8174.600000113.9N204 C231 L232N204-G249 CarbonylContact O-C 3.46Å; N204-G249 WeakPolarHBondContact O-CA 3.2Å; C231-G249 CarbonylContact C-O 3.48Å; C231-G249 WeakPolarHBondContact CA-O 3.42Å; L232-G249 PolarHBondContact N-O 3.17Å; L232-G249 PolarHBondContact O-N 3.44Å
250C91.8Very high80.6Confident5 Ų561.3 Ų61.33%0.03434%0.343CS..EExtended strand (participates in β ladder)trans-91.7149.9178-58.80000111.1N204 C224 Q228N204-C250 HydrophobicContact CB-CB 3.92Å; N204-C250 PolarHBondContact O-N 3.14Å; C224-C250 WeakPolarHBondContact CA-SG 3.08Å; C224-C250 HydrophobicContact CB-CB 3.67Å; C224-C250 WeakPolarHBondContact CB-SG 3.37Å; C224-C250 WeakPolarHBondContact SG-CB 3.48Å; C224-C250 CovalentContact SG-SG 2.04Å; C224-C250 PolarHBondContact SG-SG 3.17Å; Q228-C250 HydrophobicContact CB-CB 3.98Å; Q228-C250 VanDerWaalsContact CD-CB 3.44Å; Q228-C250 HydrophobicContact CG-CB 4.17Å
251T90.2Very high80.6Confident37 Ų3757.5 Ų57.523%0.22733%0.333CS..EExtended strand (participates in β ladder)trans-148.6165.1173.3-167.60000110.6Q228 N229 A230 L232 V253 L294Q228-T251 CarbonylContact C-O 3.59Å; Q228-T251 VanDerWaalsContact CA-O 3.3Å; Q228-T251 WeakPolarHBondContact CA-O 3.41Å; N229-T251 PolarHBondContact N-O 2.83Å; N229-T251 VanDerWaalsContact N-O 3.1Å; A230-T251 HydrophobicContact CB-CG2 4.05Å; A230-T251 PolarHBondContact N-O 2.64Å; A230-T251 VanDerWaalsContact N-O 3.11Å; A230-T251 PolarHBondContact O-N 3.4Å; L232-T251 HydrophobicContact CB-CG2 3.79Å; L232-T251 HydrophobicContact CD2-CG2 4.4Å; T251-V253 HydrophobicContact CG2-CG2 4.11Å; T251-L294 HydrophobicContact CG2-CD2 3.52Å
252S86.5Confident80.6Confident69 Ų6958 Ų5848%0.48334%0.336SS..  trans-104.1134.6172.4-166.20000109.9D227D227-S252 WeakPolarHBondContact O-CB 2.95Å; D227-S252 PolarHBondContact O-OG 2.91Å
253V83.6Confident80.3Confident14 Ų1452.4 Ų52.49%0.08532%0.324CS..  trans-129140.1174.1-176.80000109.5N229 A230 T251 A257 I259 L294N229-V253 PolarHBondContact ND2-O 2.88Å; N229-V253 PolarHBondContact OD1-N 3.43Å; N229-V253 PolarHBondContact OD1-O 3.15Å; A230-V253 HydrophobicContact CB-CG2 3.98Å; T251-V253 HydrophobicContact CG2-CG2 4.11Å; V253-A257 HydrophobicContact CG1-CB 3.64Å; V253-I259 HydrophobicContact CB-CD1 3.47Å; V253-I259 VanDerWaalsContact CB-CD1 3.47Å; V253-I259 HydrophobicContact CB-CG1 4.23Å; V253-I259 HydrophobicContact CB-CG2 4.13Å; V253-I259 HydrophobicContact CG1-CB 4.48Å; V253-I259 HydrophobicContact CG1-CD1 3.49Å; V253-I259 VanDerWaalsContact CG1-CD1 3.49Å; V253-I259 HydrophobicContact CG1-CG1 3.74Å; V253-I259 HydrophobicContact CG1-CG2 3.85Å; V253-I259 HydrophobicContact CG2-CD1 4.16Å; V253-I259 HydrophobicContact CG2-CG2 3.79Å; V253-L294 HydrophobicContact CG2-CD1 4.31Å; V253-L294 HydrophobicContact CG2-CD2 4.18Å
254A78Confident79.9Confident59 Ų5954.9 Ų54.949%0.48834%0.342SS..  trans-53134.5176.700000111.1T256 A257A254-T256 PolarHBondContact O-N 3.05Å; A254-A257 PolarHBondContact O-N 3.12Å
255P67Low79.2Confident128 Ų12854.6 Ų54.683%0.83134%0.344SS*.THydrogen-bonded Turntrans-55.9-20.3-177-26.533000115.2
256T62.2Low78.3Confident135 Ų13558.1 Ų58.183%0.82838%0.376SS*.THydrogen-bonded Turntrans-88.6-9-178.653.10000114.1A254A254-T256 PolarHBondContact O-N 3.05Å
257A61.5Low77Confident43 Ų4359.3 Ų59.336%0.35539%0.389SS..SBendtrans-81.5132.8176.400000109.5V253 A254 I259V253-A257 HydrophobicContact CG1-CB 3.64Å; A254-A257 PolarHBondContact O-N 3.12Å; A257-I259 HydrophobicContact CB-CG1 4.17Å; A257-I259 WeakPolarHBondContact O-CG1 3.01Å; A257-I259 PolarHBondContact O-N 3.37Å
258Q59.9Low75.5Confident202 Ų20261.8 Ų61.894%0.94440%0.404SS*.  trans-81.6108.4166.6-74.7-177.8-12.500107.6
259I60.7Low74.1Confident32 Ų3262.2 Ų62.216%0.16441%0.405CS..  trans-102.9-6.2-156.9-29.4170.5000114.1V253 A257 G261 L294V253-I259 HydrophobicContact CB-CD1 3.47Å; V253-I259 VanDerWaalsContact CB-CD1 3.47Å; V253-I259 HydrophobicContact CB-CG1 4.23Å; V253-I259 HydrophobicContact CB-CG2 4.13Å; V253-I259 HydrophobicContact CG1-CB 4.48Å; V253-I259 HydrophobicContact CG1-CD1 3.49Å; V253-I259 VanDerWaalsContact CG1-CD1 3.49Å; V253-I259 HydrophobicContact CG1-CG1 3.74Å; V253-I259 HydrophobicContact CG1-CG2 3.85Å; V253-I259 HydrophobicContact CG2-CD1 4.16Å; V253-I259 HydrophobicContact CG2-CG2 3.79Å; A257-I259 HydrophobicContact CB-CG1 4.17Å; A257-I259 WeakPolarHBondContact O-CG1 3.01Å; A257-I259 PolarHBondContact O-N 3.37Å; I259-G261 PolarHBondContact O-N 2.95Å; I259-G261 VanDerWaalsContact O-N 3.17Å; I259-L294 HydrophobicContact CG2-CB 3.46Å; I259-L294 VanDerWaalsContact CG2-CB 3.46Å; I259-L294 HydrophobicContact CG2-CD1 3.53Å; I259-L294 HydrophobicContact CG2-CD2 4.41Å; I259-L294 HydrophobicContact CG2-CG 3.98Å; I259-L294 CarbonylContact O-C 3.56Å; I259-L294 VanDerWaalsContact O-C 3.31Å; I259-L294 WeakPolarHBondContact O-CB 3.35Å
260S69.4Low72.2Confident88 Ų8866 Ų6662%0.61542%0.422SS*.  trans-83.3103-177.9-59.70000110.5
261G80.5Confident70.4Confident27 Ų2768.9 Ų68.928%0.27844%0.435SS..EExtended strand (participates in β ladder)trans165.6177.7176.100000114.2I259 C293 L294I259-G261 PolarHBondContact O-N 2.95Å; I259-G261 VanDerWaalsContact O-N 3.17Å; G261-C293 WeakPolarHBondContact O-CA 3.21Å; G261-L294 PolarHBondContact N-O 2.8Å; G261-L294 PolarHBondContact O-N 2.83Å
262C83.7Confident68.5Low69 Ų6969.5 Ų69.547%0.46644%0.444SS..EExtended strand (participates in β ladder)trans-118.3138173.5-64.60000109.8V292 C293C262-V292 CarbonylContact C-O 3.52Å; C262-V292 WeakPolarHBondContact CA-O 3.46Å; C262-C293 HydrophobicContact CB-CB 4.08Å; C262-C293 WeakPolarHBondContact CB-SG 3.05Å; C262-C293 WeakPolarHBondContact SG-CB 3.03Å; C262-C293 CovalentContact SG-SG 2.04Å; C262-C293 PolarHBondContact SG-SG 3.48Å
263V80Confident66.5Low86 Ų8670 Ų7052%0.52145%0.446SS..EExtended strand (participates in β ladder)trans-119.5125.3172.6-176.20000108M265 V292V263-M265 HydrophobicContact CG1-CE 4.47Å; V263-M265 HydrophobicContact CG1-CG 4.04Å; V263-V292 PolarHBondContact N-O 2.81Å; V263-V292 PolarHBondContact O-N 2.86Å
264S79.2Confident64.9Low74 Ų7475.1 Ų75.152%0.51747%0.467SS..EExtended strand (participates in β ladder)trans-92.7126.7172.7-58.80000109D291S264-D291 WeakPolarHBondContact CA-OD1 3.31Å; S264-D291 WeakPolarHBondContact CB-OD1 3.34Å; S264-D291 PolarHBondContact OG-OD1 2.96Å
265M73.5Confident63.1Low58 Ų5880 Ų8029%0.28648%0.48SS..EExtended strand (participates in β ladder)trans-124.5127.5178.2-67.7-179.4-87.500108.8V263 Q290 V292V263-M265 HydrophobicContact CG1-CE 4.47Å; V263-M265 HydrophobicContact CG1-CG 4.04Å; M265-Q290 PolarHBondContact N-O 3.15Å; M265-Q290 PolarHBondContact O-N 2.91Å; M265-V292 HydrophobicContact CE-CB 4.04Å; M265-V292 HydrophobicContact CE-CG2 3.57Å
266A70Confident62Low90 Ų9081.8 Ų81.874%0.74448%0.482SS*.EExtended strand (participates in β ladder)trans-86.8131.4166.500000108
267G63.3Low61.2Low26 Ų2683.6 Ų83.627%0.26848%0.481SS..EExtended strand (participates in β ladder)trans-146.3160.7-179.300000111.7T288G267-T288 PolarHBondContact N-O 3.4Å; G267-T288 PolarHBondContact O-N 3.11Å; G267-T288 PolarHBondContact O-OG1 3.45Å
268T58.3Low60.4Low55 Ų5587.7 Ų87.734%0.33750%0.501SS..EExtended strand (participates in β ladder)trans-91126.6171.155.50000109G286T268-G286 CarbonylContact C-O 3.54Å; T268-G286 WeakPolarHBondContact CA-O 3.37Å
269H63.8Low59.6Low9 Ų981.3 Ų81.34%0.04248%0.479CS..EExtended strand (participates in β ladder)trans-93.7150.7167.376.3-48.7000109.9E271 S285 G286 T288H269-E271 WeakPolarHBondContact CD2-CG 3.39Å; H269-E271 IonicContact CD2-OE1 3.56Å; H269-E271 IonicContact NE2-OE1 3.46Å; H269-E271 PolarHBondContact NE2-OE1 2.78Å; H269-S285 WeakPolarHBondContact O-CA 3.01Å; H269-G286 VanDerWaalsContact CE1-CA 3.41Å; H269-G286 WeakPolarHBondContact CE1-CA 3.36Å; H269-G286 PolarHBondContact N-O 2.94Å; H269-G286 WeakPolarHBondContact ND1-CA 3.27Å; H269-G286 PolarHBondContact ND1-O 3.38Å; H269-G286 PolarHBondContact O-N 3.12Å; H269-T288 HydrophobicContact CB-CG2 3.67Å; H269-T288 VanDerWaalsContact ND1-CG2 3.31Å; H269-T288 WeakPolarHBondContact ND1-CG2 3.32Å
270F53.6Low59Low80 Ų8088.9 Ų88.935%0.35151%0.511SS..EExtended strand (participates in β ladder)trans-115.9113.2174.2-69.2-77.2000107.9I283 S284F270-I283 HydrophobicContact CB-CG2 3.62Å; F270-I283 HydrophobicContact CD1-CG2 3.48Å; F270-I283 VanDerWaalsContact CD1-CG2 3.48Å; F270-I283 HydrophobicContact CG-CG2 3.96Å; F270-S284 WeakPolarHBondContact CA-O 3.45Å
271E54.1Low57.9Low65 Ų6593 Ų9330%0.30452%0.518SS..EExtended strand (participates in β ladder)trans-98.5127.3171.7-60.2-162.1151.800109.2L238 H269 S284L238-E271 WeakPolarHBondContact CD2-OE1 3.35Å; H269-E271 WeakPolarHBondContact CD2-CG 3.39Å; H269-E271 IonicContact CD2-OE1 3.56Å; H269-E271 IonicContact NE2-OE1 3.46Å; H269-E271 PolarHBondContact NE2-OE1 2.78Å; E271-S284 PolarHBondContact N-O 2.8Å; E271-S284 PolarHBondContact O-N 2.83Å
272A49Very low56.5Low51 Ų5198.6 Ų98.642%0.42153%0.534SS..PPolyproline II helixtrans-102.4118.4169.400000108.2F274A272-F274 PolarHBondContact O-N 2.79Å
273P45.9Very low55.1Low80 Ų8099.8 Ų99.852%0.51954%0.535SS..PPolyproline II helixtrans-65.3131.4175.624.5-29.1000110.2Q275 F282P273-Q275 VanDerWaalsContact C-N 3.33Å; P273-Q275 PolarHBondContact O-N 2.84Å; P273-F282 WeakPolarHBondContact CD-O 3.32Å; P273-F282 HydrophobicContact CG-CB 4.02Å
274F49.4Very low53.8Low120 Ų12098.2 Ų98.253%0.52653%0.528SS..  trans-74.480.6177.9-63.1-84.6000110.5R26 A272R26-F274 VanDerWaalsContact CA-CE1 3.5Å; R26-F274 HydrophobicContact CB-CE1 4.25Å; R26-F274 HydrophobicContact CB-CE2 3.96Å; R26-F274 HydrophobicContact CB-CZ 3.58Å; R26-F274 HydrophobicContact CG-CD2 4.27Å; R26-F274 HydrophobicContact CG-CE1 4.4Å; R26-F274 HydrophobicContact CG-CE2 3.66Å; R26-F274 HydrophobicContact CG-CZ 3.76Å; A272-F274 PolarHBondContact O-N 2.79Å
275Q39.4Very low52.9Low161 Ų16198.3 Ų98.375%0.75253%0.529SS*.SBendtrans-133.9144.1164.1-78.6-175.3-10.800109.5P273 H277P273-Q275 VanDerWaalsContact C-N 3.33Å; P273-Q275 PolarHBondContact O-N 2.84Å; Q275-H277 CarbonylContact O-C 3.39Å; Q275-H277 PolarHBondContact O-N 2.78Å
276D45.1Very low52.3Low166 Ų16695.8 Ų95.889%0.88852%0.517SS*.SBendtrans-56.27.8-162.4-68.8-46.3000117.5
277H44.7Very low52.1Low174 Ų17495.8 Ų95.881%0.80651%0.505SS*.  trans-133.397.7166.5-66-40.1000109Q275 S279Q275-H277 CarbonylContact O-C 3.39Å; Q275-H277 PolarHBondContact O-N 2.78Å; H277-S279 PolarHBondContact O-N 2.98Å
278V45.3Very low52.7Low128 Ų12895.1 Ų95.178%0.77650%0.496SS*.  trans-68.272.2163.9-170.70000107.9K280V278-K280 PolarHBondContact O-N 2.92Å
279S43.1Very low53.6Low68 Ų6895 Ų9548%0.47650%0.495SS..  trans-65.4126.2159.8-169.50000105.3H277 K281 F282H277-S279 PolarHBondContact O-N 2.98Å; S279-K281 PolarHBondContact O-N 2.86Å; S279-F282 PolarHBondContact O-N 2.94Å
280K47.5Very low54.6Low192 Ų19295.3 Ų95.384%0.83550%0.497SS*.THydrogen-bonded Turntrans-48.8-3.2174-79.7-179.9174.41770114.7V278V278-K280 PolarHBondContact O-N 2.92Å
281K46.4Very low56.2Low174 Ų17493.6 Ų93.676%0.75749%0.491SS*.THydrogen-bonded Turntrans-86.9-11.1-170.8-148.5173.7-177.2-177.60115.2S279S279-K281 PolarHBondContact O-N 2.86Å
282F51Low57.7Low144 Ų14491.5 Ų91.563%0.63248%0.482SS*.  trans-126.140-174.4-69-78.9000114.3P273 S279 S284P273-F282 WeakPolarHBondContact CD-O 3.32Å; P273-F282 HydrophobicContact CG-CB 4.02Å; S279-F282 PolarHBondContact O-N 2.94Å; F282-S284 PolarHBondContact O-N 2.04Å
283I53.8Low59.7Low95 Ų9589.7 Ų89.749%0.48747%0.466SS..  trans-82.7108.5167-51.7179000106.8F270 S285F270-I283 HydrophobicContact CB-CG2 3.62Å; F270-I283 HydrophobicContact CD1-CG2 3.48Å; F270-I283 VanDerWaalsContact CD1-CG2 3.48Å; F270-I283 HydrophobicContact CG-CG2 3.96Å; I283-S285 PolarHBondContact O-N 2.82Å
284S54.1Low61.8Low52 Ų5286.7 Ų86.736%0.36445%0.446SS..EExtended strand (participates in β ladder)trans-77.8116.9172.9-165.80000107.9F270 E271 F282F270-S284 WeakPolarHBondContact CA-O 3.45Å; E271-S284 PolarHBondContact N-O 2.8Å; E271-S284 PolarHBondContact O-N 2.83Å; F282-S284 PolarHBondContact O-N 2.04Å
285S59.9Low63.7Low76 Ų7681.4 Ų81.453%0.53142%0.424SS..EExtended strand (participates in β ladder)trans-90119.3169620000108.5H269 I283H269-S285 WeakPolarHBondContact O-CA 3.01Å; I283-S285 PolarHBondContact O-N 2.82Å
286G59.9Low66Low5 Ų576.8 Ų76.85%0.05241%0.41CS..EExtended strand (participates in β ladder)trans-122.6158.8174.400000112.4E240 T268 H269E240-G286 VanDerWaalsContact OE1-CA 3.27Å; E240-G286 WeakPolarHBondContact OE1-CA 3.45Å; T268-G286 CarbonylContact C-O 3.54Å; T268-G286 WeakPolarHBondContact CA-O 3.37Å; H269-G286 VanDerWaalsContact CE1-CA 3.41Å; H269-G286 WeakPolarHBondContact CE1-CA 3.36Å; H269-G286 PolarHBondContact N-O 2.94Å; H269-G286 WeakPolarHBondContact ND1-CA 3.27Å; H269-G286 PolarHBondContact ND1-O 3.38Å; H269-G286 PolarHBondContact O-N 3.12Å
287D66.9Low68Low91 Ų9175.7 Ų75.749%0.48740%0.399SS..EExtended strand (participates in β ladder)trans-77.9130.2173.6-70.6-21.4000110.6R239R239-D287 IonicContact NH1-OD2 3.14Å; R239-D287 PolarHBondContact NH1-OD2 3.34Å; R239-D287 VanDerWaalsContact NH1-OD2 3.14Å
288T74.9Confident70.2Confident12 Ų1271.7 Ų71.77%0.07438%0.384CS..EExtended strand (participates in β ladder)trans-123.9145.1171.4530000110.8T236 L238 G267 H269T236-T288 HydrophobicContact CG2-CG2 3.97Å; L238-T288 HydrophobicContact CD1-CG2 4.48Å; L238-T288 HydrophobicContact CG-CG2 4.2Å; G267-T288 PolarHBondContact N-O 3.4Å; G267-T288 PolarHBondContact O-N 3.11Å; G267-T288 PolarHBondContact O-OG1 3.45Å; H269-T288 HydrophobicContact CB-CG2 3.67Å; H269-T288 VanDerWaalsContact ND1-CG2 3.31Å; H269-T288 WeakPolarHBondContact ND1-CG2 3.32Å
289V77Confident72.4Confident53 Ų5367.4 Ų67.432%0.32136%0.356SS..EExtended strand (participates in β ladder)trans-106.4123.4166.9-178.80000106.7T236 F237T236-V289 WeakPolarHBondContact CA-O 3.44Å; F237-V289 PolarHBondContact N-O 2.89Å; F237-V289 PolarHBondContact O-N 3.39Å
290Q85.9Confident74.7Confident15 Ų1565.6 Ų65.67%0.0734%0.343CS..EExtended strand (participates in β ladder)trans-117.2120.5179.9-173.7175.659.600110I234 V235 T236 M265 V292I234-Q290 HydrophobicContact CG2-CG 3.83Å; I234-Q290 VanDerWaalsContact CG2-NE2 3.25Å; V235-Q290 CarbonylContact O-C 3.55Å; V235-Q290 VanDerWaalsContact O-CA 3.28Å; V235-Q290 WeakPolarHBondContact O-CA 3.27Å; T236-Q290 PolarHBondContact OG1-NE2 3.34Å; M265-Q290 PolarHBondContact N-O 3.15Å; M265-Q290 PolarHBondContact O-N 2.91Å; Q290-V292 HydrophobicContact CG-CG2 3.96Å
291D86.5Confident76.8Confident44 Ų4456.6 Ų56.624%0.23530%0.304CS..EExtended strand (participates in β ladder)trans-100.5120.4170.9-66.9-37000109.3I234 V235 S264I234-D291 CarbonylContact C-O 3.58Å; I234-D291 WeakPolarHBondContact CA-O 3.43Å; V235-D291 HydrophobicContact CB-CB 4.38Å; V235-D291 PolarHBondContact N-O 2.9Å; V235-D291 PolarHBondContact O-N 3.46Å; S264-D291 WeakPolarHBondContact CA-OD1 3.31Å; S264-D291 WeakPolarHBondContact CB-OD1 3.34Å; S264-D291 PolarHBondContact OG-OD1 2.96Å
292V86.8Confident78.8Confident20 Ų2052.7 Ų52.712%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-112.3114.9178-175.20000108.6L232 T233 I234 C262 V263 M265 Q290L232-V292 HydrophobicContact CD1-CG1 3.7Å; T233-V292 CarbonylContact O-C 3.59Å; T233-V292 WeakPolarHBondContact O-CA 3.02Å; I234-V292 HydrophobicContact CG1-CG1 4.25Å; I234-V292 HydrophobicContact CG1-CG2 4.28Å; C262-V292 CarbonylContact C-O 3.52Å; C262-V292 WeakPolarHBondContact CA-O 3.46Å; V263-V292 PolarHBondContact N-O 2.81Å; V263-V292 PolarHBondContact O-N 2.86Å; M265-V292 HydrophobicContact CE-CB 4.04Å; M265-V292 HydrophobicContact CE-CG2 3.57Å; Q290-V292 HydrophobicContact CG-CG2 3.96Å
293C89.7Confident79.7Confident13 Ų1346.3 Ų46.39%0.08826%0.261CS..EExtended strand (participates in β ladder)trans-114.8138178.5-58.30000110.8C48 T233 G261 C262C48-C293 PolarHBondContact SG-SG 2.96Å; T233-C293 PolarHBondContact N-O 2.92Å; T233-C293 PolarHBondContact O-N 3.22Å; G261-C293 WeakPolarHBondContact O-CA 3.21Å; C262-C293 HydrophobicContact CB-CB 4.08Å; C262-C293 WeakPolarHBondContact CB-SG 3.05Å; C262-C293 WeakPolarHBondContact SG-CB 3.03Å; C262-C293 CovalentContact SG-SG 2.04Å; C262-C293 PolarHBondContact SG-SG 3.48Å
294L90.2Very high80Confident17 Ų1743.7 Ų43.79%0.08925%0.251CS..EExtended strand (participates in β ladder)trans-129.2146179-69.1161.5000110.1F82 A230 C231 L232 T251 V253 I259 G261F82-L294 HydrophobicContact CZ-CD1 3.98Å; A230-L294 HydrophobicContact CB-CD2 4.42Å; C231-L294 WeakPolarHBondContact O-CA 3.05Å; L232-L294 HydrophobicContact CB-CD2 4.19Å; L232-L294 HydrophobicContact CD1-CD2 3.65Å; L232-L294 HydrophobicContact CD1-CG 4.22Å; L232-L294 HydrophobicContact CG-CD2 4.5Å; T251-L294 HydrophobicContact CG2-CD2 3.52Å; V253-L294 HydrophobicContact CG2-CD1 4.31Å; V253-L294 HydrophobicContact CG2-CD2 4.18Å; I259-L294 HydrophobicContact CG2-CB 3.46Å; I259-L294 VanDerWaalsContact CG2-CB 3.46Å; I259-L294 HydrophobicContact CG2-CD1 3.53Å; I259-L294 HydrophobicContact CG2-CD2 4.41Å; I259-L294 HydrophobicContact CG2-CG 3.98Å; I259-L294 CarbonylContact O-C 3.56Å; I259-L294 VanDerWaalsContact O-C 3.31Å; I259-L294 WeakPolarHBondContact O-CB 3.35Å; G261-L294 PolarHBondContact N-O 2.8Å; G261-L294 PolarHBondContact O-N 2.83Å
295C89.6Confident79.8Confident10 Ų1047.6 Ų47.67%0.06826%0.258CS..EExtended strand (participates in β ladder)trans-156.2153173.956.90000110A230 C231 C300A230-C295 CarbonylContact C-O 3.58Å; A230-C295 WeakPolarHBondContact CA-O 3.36Å; C231-C295 PolarHBondContact N-O 3.29Å; C231-C295 PolarHBondContact O-N 2.92Å; C231-C295 VanDerWaalsContact O-N 3.07Å; C295-C300 HydrophobicContact CB-CB 3.77Å; C295-C300 WeakPolarHBondContact CB-SG 3.43Å; C295-C300 WeakPolarHBondContact SG-CB 3.29Å; C295-C300 CovalentContact SG-SG 2.01Å; C295-C300 PolarHBondContact SG-SG 3.13Å
296S87.6Confident79.2Confident64 Ų6449.3 Ų49.345%0.44826%0.26SS..  trans-112.610.1-171.261.50000114.2
297E87.6Confident78.8Confident143 Ų14356.5 Ų56.567%0.66829%0.29SS*.SBendtrans-99.6153.6-179.7-69.6177.5-167.500110.9L299 C300E297-L299 PolarHBondContact O-N 2.54Å; E297-C300 HydrophobicContact CB-CB 3.9Å; E297-C300 WeakPolarHBondContact O-CB 3.42Å; E297-C300 PolarHBondContact O-N 2.84Å; E297-C300 PolarHBondContact O-SG 2.8Å
298D90.6Very high78.3Confident90 Ų9056.6 Ų56.648%0.48130%0.296SS..THydrogen-bonded Turntrans-57.1125.8176.5-84.1-19.8000110.9K186 C300K186-D298 PolarHBondContact N-OD1 2.76Å; D298-C300 PolarHBondContact O-N 2.86Å; D298-C300 VanDerWaalsContact O-N 3.11Å
299L92.5Very high77.5Confident38 Ų3859.8 Ų59.820%0.19932%0.316CS..THydrogen-bonded Turntrans6119.9173.6-55.3177.2000113.8K186 Y188 K221 E297 N301 F302K186-L299 HydrophobicContact CB-CD2 3.9Å; K186-L299 HydrophobicContact CB-CG 4.22Å; K186-L299 PolarHBondContact O-N 2.78Å; Y188-L299 HydrophobicContact CD1-CD2 4.34Å; Y188-L299 HydrophobicContact CD2-CB 4.05Å; Y188-L299 HydrophobicContact CD2-CD2 4.18Å; Y188-L299 HydrophobicContact CE1-CD2 4.18Å; Y188-L299 HydrophobicContact CE2-CB 3.55Å; Y188-L299 HydrophobicContact CE2-CD1 4.45Å; Y188-L299 HydrophobicContact CE2-CD2 4.02Å; Y188-L299 HydrophobicContact CE2-CG 4.21Å; Y188-L299 HydrophobicContact CG-CD2 4.34Å; K221-L299 HydrophobicContact CB-CD2 4.38Å; K221-L299 HydrophobicContact CD-CD1 4.16Å; K221-L299 HydrophobicContact CD-CD2 4.29Å; K221-L299 HydrophobicContact CG-CD2 3.98Å; E297-L299 PolarHBondContact O-N 2.54Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.06Å; L299-F302 PolarHBondContact O-N 2.86Å
300C91Very high76.7Confident29 Ų2963.2 Ų63.220%0.19633%0.33CS..THydrogen-bonded Turntrans-67.1-23.1-176.762.80000114C295 E297 D298 F302C295-C300 HydrophobicContact CB-CB 3.77Å; C295-C300 WeakPolarHBondContact CB-SG 3.43Å; C295-C300 WeakPolarHBondContact SG-CB 3.29Å; C295-C300 CovalentContact SG-SG 2.01Å; C295-C300 PolarHBondContact SG-SG 3.13Å; E297-C300 HydrophobicContact CB-CB 3.9Å; E297-C300 WeakPolarHBondContact O-CB 3.42Å; E297-C300 PolarHBondContact O-N 2.84Å; E297-C300 PolarHBondContact O-SG 2.8Å; D298-C300 PolarHBondContact O-N 2.86Å; D298-C300 VanDerWaalsContact O-N 3.11Å; C300-F302 PolarHBondContact O-N 2.89Å
301N91.5Very high75.7Confident4 Ų466.9 Ų66.92%0.02135%0.353CS..THydrogen-bonded Turntrans-79.422.6-179.772.3-24.9000113.1Y188 C231 L232 K248 L299 A303Y188-N301 WeakPolarHBondContact CB-OD1 3.43Å; Y188-N301 PolarHBondContact N-OD1 3.31Å; Y188-N301 PolarHBondContact O-ND2 3.11Å; C231-N301 HydrophobicContact CB-CB 3.74Å; L232-N301 PolarHBondContact O-ND2 3.06Å; K248-N301 PolarHBondContact NZ-O 2.56Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.06Å; N301-A303 PolarHBondContact O-N 3Å
302F87.2Confident74.9Confident92 Ų9268.8 Ų68.840%0.40437%0.366SS..  trans-74.7101.5175.7-170.5-118.3000111.1Y188 F219 L299 C300 S304Y188-F302 HydrophobicContact CD2-CB 3.77Å; Y188-F302 AromaticContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CG 4.24Å; Y188-F302 HydrophobicContact CE2-CB 3.68Å; Y188-F302 AromaticContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CE2 4.47Å; Y188-F302 AromaticContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CG-CD2 4.5Å; F219-F302 HydrophobicContact CD2-CD2 4.38Å; F219-F302 AromaticContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CE2-CD2 4.48Å; F219-F302 HydrophobicContact CE2-CE2 4.1Å; L299-F302 PolarHBondContact O-N 2.86Å; C300-F302 PolarHBondContact O-N 2.89Å; F302-S304 WeakPolarHBondContact CE1-OG 3.28Å; F302-S304 VanDerWaalsContact CZ-CB 3.4Å
303A70.5Confident74.2Confident9 Ų972.7 Ų72.77%0.07439%0.386CS..  trans-10087.5168.600000108.2C48 F219 N301C48-A303 HydrophobicContact CB-CB 4.43Å; F219-A303 WeakPolarHBondContact CZ-O 3.49Å; N301-A303 PolarHBondContact O-N 3Å
304S59.3Low73.6Confident40 Ų4080 Ų8028%0.2841%0.412SS..  trans-99.1143.7164.665.10000109.5F302 L306F302-S304 WeakPolarHBondContact CE1-OG 3.28Å; F302-S304 VanDerWaalsContact CZ-CB 3.4Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.73Å
305R50.9Low73.1Confident134 Ų13483.9 Ų83.951%0.50643%0.432SS..  trans-61.499.7156.3-86.3-168.4-179-164.32.7106.4Y215 K307Y215-R305 HydrophobicContact CE1-CG 4.42Å; R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.28Å
306L47.2Very low72.6Confident112 Ų11286.1 Ų86.159%0.58645%0.451SS*.  trans-59.4107.7150.3-89.387.8000104.3S304 P308S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.73Å; L306-P308 WeakPolarHBondContact O-CD 3.1Å
307K51.6Low72.3Confident156 Ų15688 Ų8868%0.67846%0.455SS*.  trans-64.2106.6166.5-73.3178.8179.1175.90104.9R305 T309 M310R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.28Å; K307-T309 PolarHBondContact O-N 3.25Å; K307-M310 PolarHBondContact O-N 3.44Å
308P55.3Low71.9Confident94 Ų9485.7 Ų85.761%0.6145%0.447SS*.Hα-helixtrans-64.7-10.2-177.628.5-34000111.6L306 M310 T312L306-P308 WeakPolarHBondContact O-CD 3.1Å; P308-M310 PolarHBondContact O-N 3.49Å; P308-T312 PolarHBondContact O-N 2.83Å; P308-T312 PolarHBondContact O-OG1 3.28Å
309T59.4Low71.5Confident79 Ų7986 Ų8649%0.48545%0.452SS..Hα-helixtrans-64.9-31.4-179.858.10000113.7K307 T312 L313K307-T309 PolarHBondContact O-N 3.25Å; T309-T312 WeakPolarHBondContact CA-OG1 3.43Å; T309-T312 PolarHBondContact O-OG1 3.01Å; T309-L313 WeakPolarHBondContact O-CB 3.3Å; T309-L313 WeakPolarHBondContact O-CD1 3.5Å; T309-L313 WeakPolarHBondContact O-CG 3.09Å; T309-L313 PolarHBondContact O-N 2.98Å
310M60.4Low70.8Confident125 Ų12586.8 Ų86.862%0.61646%0.461SS*.Hα-helixtrans-74.9-47.1-178.9-83.8-79.2-158.200112K307 P308 L313 W314K307-M310 PolarHBondContact O-N 3.44Å; P308-M310 PolarHBondContact O-N 3.49Å; M310-L313 PolarHBondContact O-N 3.47Å; M310-W314 WeakPolarHBondContact O-CB 3.26Å; M310-W314 PolarHBondContact O-N 3.18Å
311V64.8Low70.2Confident91 Ų9193.5 Ų93.555%0.55248%0.483SS*.Hα-helixtrans-67.8-39.1-179.4178.90000111W314 L315V311-W314 PolarHBondContact O-N 2.91Å; V311-L315 HydrophobicContact CG1-CD1 3.91Å; V311-L315 HydrophobicContact CG1-CG 4.38Å; V311-L315 WeakPolarHBondContact O-CB 3.37Å; V311-L315 VanDerWaalsContact O-CG 3.32Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 2.89Å
312T69.2Low69.1Low85 Ų8597.3 Ų97.352%0.52151%0.511SS..Hα-helixtrans-67.6-38.3174.747.10000112.6P308 T309 A316P308-T312 PolarHBondContact O-N 2.83Å; P308-T312 PolarHBondContact O-OG1 3.28Å; T309-T312 WeakPolarHBondContact CA-OG1 3.43Å; T309-T312 PolarHBondContact O-OG1 3.01Å; T312-A316 WeakPolarHBondContact O-CB 3.06Å; T312-A316 PolarHBondContact O-N 2.96Å
313L72.4Confident68.3Low101 Ų10198.1 Ų98.153%0.52952%0.523SS..Hα-helixtrans-64-43.6172.1-91.2159.9000112.2T309 M310 A316 L317T309-L313 WeakPolarHBondContact O-CB 3.3Å; T309-L313 WeakPolarHBondContact O-CD1 3.5Å; T309-L313 WeakPolarHBondContact O-CG 3.09Å; T309-L313 PolarHBondContact O-N 2.98Å; M310-L313 PolarHBondContact O-N 3.47Å; L313-A316 PolarHBondContact O-N 3.43Å; L313-L317 WeakPolarHBondContact O-CB 3.41Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 3.45Å
314W77.7Confident68Low167 Ų167106.1 Ų106.163%0.63356%0.561SS**Hα-helixtrans-64.6-43.4177.2-88.4100.8000112.1M310 V311 L317 L318M310-W314 WeakPolarHBondContact O-CB 3.26Å; M310-W314 PolarHBondContact O-N 3.18Å; V311-W314 PolarHBondContact O-N 2.91Å; W314-L317 PolarHBondContact O-N 3.46Å; W314-L318 WeakPolarHBondContact O-CB 3.34Å; W314-L318 VanDerWaalsContact O-CG 3.29Å; W314-L318 WeakPolarHBondContact O-CG 3.37Å; W314-L318 PolarHBondContact O-N 2.86Å
315L79.3Confident68.1Low98 Ų98111.7 Ų111.751%0.51359%0.593SS.*Hα-helixtrans-64.4-41.7174.2-74.7169.2000111.6V311 L317 L318 V319V311-L315 HydrophobicContact CG1-CD1 3.91Å; V311-L315 HydrophobicContact CG1-CG 4.38Å; V311-L315 WeakPolarHBondContact O-CB 3.37Å; V311-L315 VanDerWaalsContact O-CG 3.32Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 2.89Å; L315-L317 PolarHBondContact O-N 2.91Å; L315-L318 PolarHBondContact O-N 2.98Å; L315-V319 WeakPolarHBondContact O-CB 3.31Å; L315-V319 VanDerWaalsContact O-CG2 3.23Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 2.98Å
316A79.8Confident68.9Low58 Ų58110.6 Ų110.648%0.47960%0.598SS.*Hα-helixtrans-63.5-40.2176.200000112.2T312 L313 V319 S320T312-A316 WeakPolarHBondContact O-CB 3.06Å; T312-A316 PolarHBondContact O-N 2.96Å; L313-A316 PolarHBondContact O-N 3.43Å; A316-V319 PolarHBondContact O-N 2.82Å; A316-S320 WeakPolarHBondContact O-CB 2.97Å; A316-S320 PolarHBondContact O-N 3.17Å; A316-S320 PolarHBondContact O-OG 2.69Å
317L81.2Confident70.1Confident102 Ų102110.5 Ų110.553%0.53460%0.598SS.*Hα-helixtrans-67.6-38.4174.8-78.3166.9000112.6L313 W314 L315 S320 Y321L313-L317 WeakPolarHBondContact O-CB 3.41Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 3.45Å; W314-L317 PolarHBondContact O-N 3.46Å; L315-L317 PolarHBondContact O-N 2.91Å; L317-S320 WeakPolarHBondContact CA-OG 3.39Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-OG 2.8Å; L317-S320 VanDerWaalsContact O-OG 3.04Å; L317-Y321 VanDerWaalsContact O-CB 3.28Å; L317-Y321 WeakPolarHBondContact O-CB 3.27Å; L317-Y321 PolarHBondContact O-N 2.71Å
318L78.4Confident71.1Confident95 Ų95108 Ų10850%0.49759%0.594SS.*Hα-helixtrans-68.1-39175.7-75.9168.2000111.7W314 L315 S322W314-L318 WeakPolarHBondContact O-CB 3.34Å; W314-L318 VanDerWaalsContact O-CG 3.29Å; W314-L318 WeakPolarHBondContact O-CG 3.37Å; W314-L318 PolarHBondContact O-N 2.86Å; L315-L318 PolarHBondContact O-N 2.98Å; L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.41Å; L318-S322 VanDerWaalsContact O-N 3.09Å; L318-S322 PolarHBondContact O-OG 3.47Å
319V81.6Confident72Confident96 Ų96108.8 Ų108.858%0.58259%0.593SS**Hα-helixtrans-66.6-44.1174.7171.40000110.5L315 A316 S322 T323L315-V319 WeakPolarHBondContact O-CB 3.31Å; L315-V319 VanDerWaalsContact O-CG2 3.23Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 2.98Å; A316-V319 PolarHBondContact O-N 2.82Å; V319-S322 PolarHBondContact O-N 3.14Å; V319-T323 WeakPolarHBondContact O-CG2 3.37Å; V319-T323 PolarHBondContact O-N 2.96Å; V319-T323 PolarHBondContact O-OG1 3.5Å
320S78.9Confident72.8Confident55 Ų55110.7 Ų110.739%0.38560%0.6SS.*Hα-helixtrans-67.5-38.9178.666.60000112.7A316 L317 S322 T323 M324A316-S320 WeakPolarHBondContact O-CB 2.97Å; A316-S320 PolarHBondContact O-N 3.17Å; A316-S320 PolarHBondContact O-OG 2.69Å; L317-S320 WeakPolarHBondContact CA-OG 3.39Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-OG 2.8Å; L317-S320 VanDerWaalsContact O-OG 3.04Å; S320-S322 VanDerWaalsContact C-N 3.34Å; S320-S322 PolarHBondContact O-N 3.4Å; S320-T323 PolarHBondContact O-N 3.22Å; S320-T323 PolarHBondContact O-OG1 2.66Å; S320-M324 PolarHBondContact O-N 3.36Å
321Y78Confident73.7Confident170 Ų170109.7 Ų109.767%0.66760%0.599SS**Hα-helixtrans-62.8-40.4175.6-171.3-95.2000112L317 T323 M324 V325L317-Y321 VanDerWaalsContact O-CB 3.28Å; L317-Y321 WeakPolarHBondContact O-CB 3.27Å; L317-Y321 PolarHBondContact O-N 2.71Å; Y321-T323 PolarHBondContact O-N 3.37Å; Y321-M324 PolarHBondContact O-N 2.96Å; Y321-V325 HydrophobicContact CE1-CG2 4.14Å
322S67.3Low74.3Confident85 Ų85111.1 Ų111.159%0.59460%0.602SS**Hα-helixtrans-70.2-15.6178.5-530000113.6L318 V319 S320L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.41Å; L318-S322 VanDerWaalsContact O-N 3.09Å; L318-S322 PolarHBondContact O-OG 3.47Å; V319-S322 PolarHBondContact O-N 3.14Å; S320-S322 VanDerWaalsContact C-N 3.34Å; S320-S322 PolarHBondContact O-N 3.4Å
323T71.8Confident74.7Confident109 Ų109113.1 Ų113.167%0.66961%0.608SS**THydrogen-bonded Turntrans-92.4-8.7175.454.70000114.2V319 S320 Y321V319-T323 WeakPolarHBondContact O-CG2 3.37Å; V319-T323 PolarHBondContact O-N 2.96Å; V319-T323 PolarHBondContact O-OG1 3.5Å; S320-T323 PolarHBondContact O-N 3.22Å; S320-T323 PolarHBondContact O-OG1 2.66Å; Y321-T323 PolarHBondContact O-N 3.37Å
324M64.2Low74.9Confident176 Ų176114.1 Ų114.187%0.86762%0.615SS**THydrogen-bonded Turntrans-106.1-4.8180-68.1-165.292.700114.3S320 Y321S320-M324 PolarHBondContact O-N 3.36Å; Y321-M324 PolarHBondContact O-N 2.96Å
325V60.5Low74.6Confident158 Ų158109.3 Ų109.396%0.95861%0.613SS**  trans-107.20173.8-178.10000109Y321Y321-V325 HydrophobicContact CE1-CG2 4.14Å

Retrieved 325 of 325 residues in 46.5 ms (Link to these results)