A0A087YLB5_POEFO Loading...

Translocase of outer mitochondrial membrane 40 like

AlphaFold DB , UniProt , Accession A0A087YLB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.3Very low30.6Very low251 Ų251136.5 Ų136.5100%1.23685%0.847SS**  0122.70-78.3-176.2164.900108.4
2G32.4Very low30.2Very low75 Ų75131 Ų13177%0.77384%0.837SS**  trans61112.5162.900000118.6
3S28.7Very low30.1Very low120 Ų120135.5 Ų135.584%0.83984%0.84SS**  54.8134.476.7-810000113.9
4V31.3Very low29.8Very low114 Ų114138.1 Ų138.169%0.69184%0.838SS**  cis-176.9148.913.9119.70000110.2
5L31.3Very low29.6Very low164 Ų164138.6 Ų138.686%0.85983%0.833SS**  trans55150.7152.6-65.8168.3000120.8
6A29.6Very low29.3Very low93 Ų93143.3 Ų143.377%0.76983%0.832SS**  cis-154.8157.414.700000110.5
7L26.6Very low29.1Very low181 Ų181141.2 Ų141.295%0.94883%0.825SS**  trans-111.2130.4173-91.5153000110.3
8S27Very low28.9Very low116 Ų116143.8 Ų143.881%0.81182%0.824SS**  trans-140.8132.9161.9104.10000108.7
9S28.5Very low28.8Very low111 Ų111142.1 Ų142.178%0.77682%0.822SS**  trans-176122.4143.852.60000110.2
10N31Very low28.9Very low156 Ų156143.5 Ų143.583%0.83482%0.818SS**  trans-64.3157.6162.4-139.211.9000109.7
11P35.5Very low28.7Very low121 Ų121144 Ų14479%0.78682%0.818SS**  -156.9168.286.638.1-17.9000116.8
12G24.8Very low28.3Very low70 Ų70139.2 Ų139.272%0.72279%0.792SS**  trans113.2114.5144.500000118.2
13H29.4Very low28Very low190 Ų190143 Ų14388%0.8879%0.794SS**  trans-52.8139.3177.3-81.4-100.1000116.7
14Q26Very low27.8Very low172 Ų172142.8 Ų142.880%0.80479%0.79SS**  trans-139.6123.5153.6-136.9173.129.100109.3
15N26.5Very low27.4Very low145 Ų145140.2 Ų140.278%0.77578%0.777SS**  trans-73.5122.7-176.9-78.2-23.1000111.6
16W25.5Very low27.3Very low213 Ų213142.9 Ų142.981%0.80778%0.776SS**  trans-113147.7162.9-85.4168.8000112.2F18W16-F18 PolarHBondContact O-N 3.04Å
17P25.1Very low27.2Very low109 Ų109149.7 Ų149.771%0.70878%0.782SS**SBendtrans-80.512.6-163.733.6-34.7000114.6
18F26.4Very low27.1Very low187 Ų187147.1 Ų147.182%0.8277%0.769SS**  trans-125.381.9177.3-65.4-74.8000109.8W16 K20W16-F18 PolarHBondContact O-N 3.04Å; F18-K20 PolarHBondContact O-N 3.16Å
19S26.3Very low27.1Very low111 Ų111145 Ų14578%0.77676%0.759SS**  trans-67.6121.7166.7-177.10000109.4N21S19-N21 PolarHBondContact O-N 3.41Å; S19-N21 VanDerWaalsContact O-N 3.16Å
20K30.6Very low26.8Very low171 Ų171147.9 Ų147.974%0.74376%0.759SS**  trans-72.698.4171.9-79-178.5174.31770109.8F18F18-K20 PolarHBondContact O-N 3.16Å
21N25.5Very low26.5Very low154 Ų154145.3 Ų145.382%0.82475%0.751SS**  trans-111.976.1144.6-83.2-14.7000107.4S19 L23S19-N21 PolarHBondContact O-N 3.41Å; S19-N21 VanDerWaalsContact O-N 3.16Å; N21-L23 PolarHBondContact O-N 3.12Å; N21-L23 VanDerWaalsContact O-N 3.12Å
22H25.8Very low26.1Very low150 Ų150142.8 Ų142.869%0.69474%0.74SS**  trans-74.198.1167.2-83.8-72.7000108.4
23L26.6Very low26.3Very low155 Ų155145.5 Ų145.581%0.81273%0.734SS**PPolyproline II helixtrans-58.3130.9142.3-75.5147.2000106.3N21 S25N21-L23 PolarHBondContact O-N 3.12Å; N21-L23 VanDerWaalsContact O-N 3.12Å; L23-S25 PolarHBondContact O-N 3.04Å
24P24.9Very low26.5Very low116 Ų116146.6 Ų146.675%0.75373%0.731SS**PPolyproline II helixtrans-60.5119.3-176.621.9-29.9000109.4R26P24-R26 PolarHBondContact O-N 3.07Å
25S23.3Very low26.6Very low60 Ų60142.2 Ų142.242%0.4271%0.713SS.*PPolyproline II helixtrans-61.2130.4172.5430000109.2L23 W27 D28L23-S25 PolarHBondContact O-N 3.04Å; S25-W27 PolarHBondContact O-N 3.46Å; S25-D28 PolarHBondContact O-N 3.25Å
26R29Very low26.6Very low219 Ų219142 Ų14283%0.82670%0.701SS**G310 helixtrans-56.63.8179.3-166.4175.1176.7-178.50.3115.2P24 A29P24-R26 PolarHBondContact O-N 3.07Å; R26-A29 WeakPolarHBondContact O-CB 3.48Å
27W28Very low26.8Very low237 Ų237133.6 Ų133.690%0.89867%0.674SS**G310 helixtrans-84.2-12.6176.6-60.7110.1000113.7S25 A29S25-W27 PolarHBondContact O-N 3.46Å; W27-A29 PolarHBondContact O-N 3.47Å
28D23.8Very low27.4Very low127 Ų127133.6 Ų133.668%0.67967%0.674SS**G310 helixtrans-85.68.2169.4-65.2-39.1000112.9S25 H30S25-D28 PolarHBondContact O-N 3.25Å; D28-H30 PolarHBondContact O-N 2.76Å; D28-H30 VanDerWaalsContact O-N 3.07Å
29A25.8Very low27.9Very low72 Ų72131.3 Ų131.360%0.59566%0.659SS**  trans-7599.9171.200000109.2R26 W27R26-A29 WeakPolarHBondContact O-CB 3.48Å; W27-A29 PolarHBondContact O-N 3.47Å
30H23.4Very low28.8Very low171 Ų171129.9 Ų129.979%0.79264%0.637SS**  trans-32.9132.8163.4-65.5-72.5000111.3D28 A32D28-H30 PolarHBondContact O-N 2.76Å; D28-H30 VanDerWaalsContact O-N 3.07Å; H30-A32 PolarHBondContact O-N 2.85Å; H30-A32 VanDerWaalsContact O-N 3.1Å
31P23.8Very low29Very low102 Ų102127.4 Ų127.466%0.66263%0.628SS**  trans-57.1124.9176.423-30.4000107.9H33P31-H33 PolarHBondContact O-N 3.23Å
32A28.7Very low29.8Very low67 Ų67128.4 Ų128.455%0.55462%0.62SS**  trans-44.9104.9-172.800000110.6H30 W34H30-A32 PolarHBondContact O-N 2.85Å; H30-A32 VanDerWaalsContact O-N 3.1Å; A32-W34 HydrophobicContact CB-CE3 4.05Å; A32-W34 HydrophobicContact CB-CH2 4.04Å; A32-W34 HydrophobicContact CB-CZ3 3.46Å; A32-W34 VanDerWaalsContact CB-CZ3 3.46Å; A32-W34 PolarHBondContact O-N 3.11Å
33H27.2Very low30.6Very low127 Ų127131.1 Ų131.159%0.58863%0.625SS**  trans-63.7120.4174.5-169.1-87.7000106.7P31 D35P31-H33 PolarHBondContact O-N 3.23Å; H33-D35 IonicContact CE1-OD1 2.78Å; H33-D35 PolarHBondContact CE1-OD1 3.45Å; H33-D35 IonicContact CE1-OD2 3.31Å; H33-D35 PolarHBondContact CE1-OD2 2.62Å; H33-D35 IonicContact CG-OD2 3.42Å; H33-D35 WeakPolarHBondContact ND1-CB 3.49Å; H33-D35 IonicContact ND1-OD1 2.82Å; H33-D35 PolarHBondContact ND1-OD1 3.03Å; H33-D35 IonicContact ND1-OD2 3.43Å; H33-D35 PolarHBondContact ND1-OD2 3.1Å; H33-D35 PolarHBondContact O-N 3.36Å
34W34.8Very low31.5Very low214 Ų214130.5 Ų130.581%0.81162%0.622SS**  trans-70.549.1174.7-70.1168000112.4A32 R36A32-W34 HydrophobicContact CB-CE3 4.05Å; A32-W34 HydrophobicContact CB-CH2 4.04Å; A32-W34 HydrophobicContact CB-CZ3 3.46Å; A32-W34 VanDerWaalsContact CB-CZ3 3.46Å; A32-W34 PolarHBondContact O-N 3.11Å; W34-R36 PolarHBondContact O-N 3.45Å
35D28.6Very low32.9Very low80 Ų80128.4 Ų128.443%0.42862%0.622SS.*  trans-70.585.8167.3-95-23.1000109.6H33H33-D35 IonicContact CE1-OD1 2.78Å; H33-D35 PolarHBondContact CE1-OD1 3.45Å; H33-D35 IonicContact CE1-OD2 3.31Å; H33-D35 PolarHBondContact CE1-OD2 2.62Å; H33-D35 IonicContact CG-OD2 3.42Å; H33-D35 WeakPolarHBondContact ND1-CB 3.49Å; H33-D35 IonicContact ND1-OD1 2.82Å; H33-D35 PolarHBondContact ND1-OD1 3.03Å; H33-D35 IonicContact ND1-OD2 3.43Å; H33-D35 PolarHBondContact ND1-OD2 3.1Å; H33-D35 PolarHBondContact O-N 3.36Å
36R26.2Very low34.9Very low140 Ų140134.6 Ų134.653%0.52864%0.636SS.*  139.8137.6129-71145-176.2-174.14.7109.6W34 R39W34-R36 PolarHBondContact O-N 3.45Å; R36-R39 HydrophobicContact CB-CG 4.47Å; R36-R39 VanDerWaalsContact CZ-CZ 3.5Å
37P29.5Very low37.3Very low36 Ų36127.1 Ų127.123%0.23461%0.612CS.*SBendtrans-54.2159.5160.826.4-32.3000109.1R39 P227P37-R39 PolarHBondContact O-N 2.88Å; P37-P227 WeakPolarHBondContact CG-O 3.32Å
38P38Very low39.7Very low109 Ų109117.5 Ų117.571%0.70858%0.58SS**  trans-46110.8-176.8-18.221.7000109.8W40P38-W40 PolarHBondContact O-N 2.75Å
39R37.1Very low42.6Very low139 Ų139114 Ų11453%0.52556%0.562SS.*  trans-70102.1176.7-96.8-178.3165.5-162.20.4106.4R36 P37 E41R36-R39 HydrophobicContact CB-CG 4.47Å; R36-R39 VanDerWaalsContact CZ-CZ 3.5Å; P37-R39 PolarHBondContact O-N 2.88Å; R39-E41 HydrophobicContact CB-CG 4.22Å; R39-E41 VanDerWaalsContact CD-OE1 3.27Å; R39-E41 WeakPolarHBondContact CD-OE1 3.26Å; R39-E41 HydrophobicContact CG-CG 4.47Å; R39-E41 IonicContact CZ-OE1 3.09Å; R39-E41 IonicContact NE-OE1 3.86Å; R39-E41 PolarHBondContact NE-OE1 3.09Å; R39-E41 IonicContact NH1-OE1 3.18Å; R39-E41 PolarHBondContact NH1-OE1 3.25Å; R39-E41 IonicContact NH1-OE2 3.94Å; R39-E41 IonicContact NH2-OE1 3.99Å; R39-E41 PolarHBondContact O-N 3.04Å
40W43.4Very low45.3Very low82 Ų82111.3 Ų111.331%0.31154%0.538SS..  trans-71.770.1161.891.9-88.7000106.8P38 R42 P48 S197P38-W40 PolarHBondContact O-N 2.75Å; W40-R42 HydrophobicContact CE3-CG 4.49Å; W40-R42 HydrophobicContact CH2-CG 3.86Å; W40-R42 HydrophobicContact CZ3-CG 3.48Å; W40-R42 VanDerWaalsContact CZ3-CG 3.48Å; W40-P48 HydrophobicContact CB-CG 4.11Å; W40-P48 HydrophobicContact CE3-CG 4.07Å; W40-S197 VanDerWaalsContact CZ2-CB 3.47Å
41E36.6Very low48.3Very low119 Ų119104.2 Ų104.256%0.55651%0.511SS*.  trans-83125.2174.3-88.9176.2-179.200108.6R39 R43R39-E41 HydrophobicContact CB-CG 4.22Å; R39-E41 VanDerWaalsContact CD-OE1 3.27Å; R39-E41 WeakPolarHBondContact CD-OE1 3.26Å; R39-E41 HydrophobicContact CG-CG 4.47Å; R39-E41 IonicContact CZ-OE1 3.09Å; R39-E41 IonicContact NE-OE1 3.86Å; R39-E41 PolarHBondContact NE-OE1 3.09Å; R39-E41 IonicContact NH1-OE1 3.18Å; R39-E41 PolarHBondContact NH1-OE1 3.25Å; R39-E41 IonicContact NH1-OE2 3.94Å; R39-E41 IonicContact NH2-OE1 3.99Å; R39-E41 PolarHBondContact O-N 3.04Å; E41-R43 PolarHBondContact O-N 3.25Å
42R42Very low51.2Low174 Ų174100.5 Ų100.566%0.65749%0.488SS*.  trans-59.8102.4167.3-69.7-175.7-174.5172.62.1107.9W40W40-R42 HydrophobicContact CE3-CG 4.49Å; W40-R42 HydrophobicContact CH2-CG 3.86Å; W40-R42 HydrophobicContact CZ3-CG 3.48Å; W40-R42 VanDerWaalsContact CZ3-CG 3.48Å
43R41.4Very low53.9Low207 Ų20798.2 Ų98.278%0.78147%0.465SS*.SBendtrans-82.9113.7148.1-89.9-173.6-178.6-168.8-0.5107E41 G45 R46E41-R43 PolarHBondContact O-N 3.25Å; R43-G45 PolarHBondContact O-N 3.18Å; R43-R46 PolarHBondContact O-N 3.5Å
44D46.9Very low56.5Low142 Ų14297.8 Ų97.876%0.75946%0.463SS*.THydrogen-bonded Turntrans64.839.6158.7-43.9-38.3000116.1R46D44-R46 PolarHBondContact O-N 3.09Å
45G54Low58.9Low73 Ų7389.1 Ų89.175%0.75344%0.435SS*.THydrogen-bonded Turntrans68.33174.700000115.1R43R43-G45 PolarHBondContact O-N 3.18Å
46R64.1Low61.7Low190 Ų19085.4 Ų85.472%0.71742%0.415SS*.PPolyproline II helixtrans-86.6140.6175.6-67.1179.2176.2169.8-0.6110.2R43 D44R43-R46 PolarHBondContact O-N 3.5Å; D44-R46 PolarHBondContact O-N 3.09Å
47L79.3Confident64.8Low61 Ų6179.3 Ų79.332%0.31939%0.393SS..PPolyproline II helixtrans-66.7139.4173.3-66.5173.1000109.1D168 S194L47-D168 HydrophobicContact CB-CB 4.27Å; L47-S194 VanDerWaalsContact CD1-O 3.23Å; L47-S194 WeakPolarHBondContact CD1-O 3.35Å
48P80.3Confident67.7Low35 Ų3585.1 Ų85.123%0.22741%0.41CS..PPolyproline II helixtrans-71.6152.4179.232.4-36.9000110.6W40 S167 S194W40-P48 HydrophobicContact CB-CG 4.11Å; W40-P48 HydrophobicContact CE3-CG 4.07Å; P48-S167 CarbonylContact C-O 3.56Å; P48-S194 WeakPolarHBondContact O-CB 3.44Å
49N83.5Confident70.1Confident54 Ų5481.3 Ų81.329%0.28939%0.386SS..PPolyproline II helixtrans-63.2131.7171.4-178.2-53.3000109.3G51 G166 S167 T170N49-G51 PolarHBondContact O-N 3.01Å; N49-G51 PolarHBondContact OD1-N 2.81Å; N49-G166 PolarHBondContact ND2-O 2.95Å; N49-S167 WeakPolarHBondContact CA-O 3.43Å; N49-S167 PolarHBondContact N-O 2.8Å; N49-S167 VanDerWaalsContact N-O 3.14Å; N49-T170 PolarHBondContact ND2-OG1 2.82Å; N49-T170 PolarHBondContact OD1-OG1 2.82Å
50P82.9Confident72.7Confident16 Ų1674.8 Ų74.810%0.10436%0.362CS..  trans-68.5-12.7-177.226.9-35.4000115.3L192 V200P50-L192 HydrophobicContact CB-CB 4.32Å; P50-L192 HydrophobicContact CG-CB 3.95Å; P50-V200 HydrophobicContact CB-CB 4.19Å; P50-V200 HydrophobicContact CB-CG1 3.4Å; P50-V200 VanDerWaalsContact CB-CG1 3.4Å; P50-V200 HydrophobicContact CB-CG2 3.67Å; P50-V200 HydrophobicContact CG-CG1 4.33Å
51G85.9Confident75Confident21 Ų2176 Ų7622%0.21637%0.369CS..  trans85.4-162.9-170.600000112.5N49 T170N49-G51 PolarHBondContact O-N 3.01Å; N49-G51 PolarHBondContact OD1-N 2.81Å; G51-T170 VanDerWaalsContact O-CB 3.26Å; G51-T170 WeakPolarHBondContact O-CB 3.43Å; G51-T170 WeakPolarHBondContact O-CG2 3.17Å; G51-T170 PolarHBondContact O-OG1 3.09Å; G51-T170 VanDerWaalsContact O-OG1 3.07Å
52S85.6Confident77.5Confident25 Ų2574 Ų7418%0.17536%0.362CS..  trans-91.6153.1-179.3690000111.8H54 S55 E163S52-H54 VanDerWaalsContact C-N 3.27Å; S52-H54 PolarHBondContact O-N 3.19Å; S52-S55 PolarHBondContact N-OG 3.08Å; S52-S55 WeakPolarHBondContact O-CB 3.4Å; S52-S55 PolarHBondContact O-N 3.02Å; S52-S55 PolarHBondContact O-OG 3.08Å; S52-E163 WeakPolarHBondContact CB-OE1 3.44Å
53F85.6Confident80Confident19 Ų1965.8 Ų65.88%0.08333%0.331CS..G310 helixtrans-58.9-37.9179.5-169.5-90.4000113S55 L56 H190 L192 E204 A221F53-S55 PolarHBondContact O-N 2.77Å; F53-L56 HydrophobicContact CD2-CD1 3.88Å; F53-L56 HydrophobicContact CE2-CD1 4Å; F53-L56 HydrophobicContact CG-CD1 4.26Å; F53-L56 HydrophobicContact CZ-CD1 4.46Å; F53-L56 WeakPolarHBondContact O-CG 3.49Å; F53-L56 PolarHBondContact O-N 2.83Å; F53-H190 HydrophobicContact CB-CB 3.93Å; F53-H190 AromaticContact CD1-CE1 3.66Å; F53-H190 AromaticContact CD1-ND1 3.29Å; F53-H190 VanDerWaalsContact CD1-ND1 3.29Å; F53-H190 WeakPolarHBondContact CD1-ND1 3.32Å; F53-H190 HydrophobicContact CD2-CB 4.26Å; F53-H190 AromaticContact CD2-ND1 3.91Å; F53-H190 AromaticContact CE1-ND1 3.76Å; F53-H190 HydrophobicContact CG-CB 4.14Å; F53-H190 AromaticContact CG-CG 3.98Å; F53-H190 AromaticContact CG-ND1 3.37Å; F53-H190 WeakPolarHBondContact CG-ND1 3.27Å; F53-L192 HydrophobicContact CB-CD1 4Å; F53-L192 HydrophobicContact CD2-CD1 4Å; F53-L192 HydrophobicContact CD2-CD2 4.17Å; F53-L192 HydrophobicContact CD2-CG 4.03Å; F53-L192 HydrophobicContact CG-CD1 4.44Å; F53-E204 HydrophobicContact CE1-CB 3.92Å; F53-E204 HydrophobicContact CE1-CG 4.37Å; F53-E204 VanDerWaalsContact CE1-OE2 3.32Å; F53-E204 WeakPolarHBondContact CE1-OE2 3.5Å; F53-E204 HydrophobicContact CE2-CB 3.91Å; F53-E204 HydrophobicContact CZ-CB 3.51Å; F53-E204 HydrophobicContact CZ-CG 4.41Å; F53-A221 HydrophobicContact CD2-CB 4.42Å; F53-A221 HydrophobicContact CE2-CB 3.48Å; F53-A221 VanDerWaalsContact CE2-CB 3.48Å; F53-A221 HydrophobicContact CZ-CB 4.02Å
54H81.2Confident82.5Confident118 Ų11856.7 Ų56.755%0.54630%0.298SS..G310 helixtrans-63.1-23.8175.5-66-66.3000113.7S52S52-H54 VanDerWaalsContact C-N 3.27Å; S52-H54 PolarHBondContact O-N 3.19Å
55S84.7Confident84.7Confident32 Ų3250.4 Ų50.422%0.22426%0.264CS..G310 helixtrans-82.3-11.3-177.574.40000114.3S52 F53 H57 R58S52-S55 PolarHBondContact N-OG 3.08Å; S52-S55 WeakPolarHBondContact O-CB 3.4Å; S52-S55 PolarHBondContact O-N 3.02Å; S52-S55 PolarHBondContact O-OG 3.08Å; F53-S55 PolarHBondContact O-N 2.77Å; S55-H57 PolarHBondContact O-N 3.25Å; S55-R58 WeakPolarHBondContact O-CB 3.26Å; S55-R58 PolarHBondContact O-N 3.13Å
56L88.1Confident86.5Confident1 Ų152.9 Ų52.91%0.00526%0.256CS..THydrogen-bonded Turntrans-54.5-48.5-175.5-69.9173.8000112.7F53 L192 A221 Q223 T232F53-L56 HydrophobicContact CD2-CD1 3.88Å; F53-L56 HydrophobicContact CE2-CD1 4Å; F53-L56 HydrophobicContact CG-CD1 4.26Å; F53-L56 HydrophobicContact CZ-CD1 4.46Å; F53-L56 WeakPolarHBondContact O-CG 3.49Å; F53-L56 PolarHBondContact O-N 2.83Å; L56-L192 HydrophobicContact CD1-CD1 4.24Å; L56-L192 HydrophobicContact CD1-CD2 4.17Å; L56-L192 HydrophobicContact CD2-CD1 4.2Å; L56-L192 HydrophobicContact CD2-CD2 4.42Å; L56-L192 HydrophobicContact CG-CD1 4.29Å; L56-A221 HydrophobicContact CD1-CB 3.87Å; L56-Q223 HydrophobicContact CD2-CB 3.82Å; L56-Q223 HydrophobicContact CD2-CG 4.49Å; L56-T232 HydrophobicContact CB-CG2 4.49Å; L56-T232 WeakPolarHBondContact O-CG2 3.32Å
57H90.8Very high87.6Confident13 Ų1349.3 Ų49.36%0.0625%0.247CC..THydrogen-bonded Turntrans-90.4-1.4-179.2-66.8-84.7000113.6S55 S59 C60 K61 T232 N234 H241 S243S55-H57 PolarHBondContact O-N 3.25Å; H57-S59 VanDerWaalsContact C-N 3.35Å; H57-S59 PolarHBondContact O-N 3.17Å; H57-C60 PolarHBondContact O-N 2.8Å; H57-C60 VanDerWaalsContact O-N 3.15Å; H57-K61 HydrophobicContact CB-CD 4.37Å; H57-K61 HydrophobicContact CB-CG 4.45Å; H57-K61 WeakPolarHBondContact O-CG 3.48Å; H57-K61 PolarHBondContact O-N 2.82Å; H57-T232 PolarHBondContact CE1-OG1 2.73Å; H57-T232 PolarHBondContact ND1-OG1 2.77Å; H57-N234 PolarHBondContact NE2-ND2 2.83Å; H57-H241 AromaticContact CD2-CE1 3.74Å; H57-H241 AromaticContact CD2-ND1 3.7Å; H57-H241 AromaticContact CE1-CD2 3.91Å; H57-H241 AromaticContact CE1-CE1 3.42Å; H57-H241 PolarHBondContact CE1-CE1 2.83Å; H57-H241 VanDerWaalsContact CE1-CE1 3.42Å; H57-H241 AromaticContact CE1-CG 3.68Å; H57-H241 AromaticContact CE1-ND1 3.36Å; H57-H241 PolarHBondContact CE1-ND1 3.07Å; H57-H241 AromaticContact CE1-NE2 3.69Å; H57-H241 PolarHBondContact CE1-O 2.83Å; H57-H241 AromaticContact CG-CE1 3.38Å; H57-H241 AromaticContact CG-ND1 3.81Å; H57-H241 AromaticContact ND1-CE1 3.18Å; H57-H241 PolarHBondContact ND1-CE1 3.15Å; H57-H241 AromaticContact ND1-ND1 3.63Å; H57-H241 AromaticContact ND1-NE2 3.44Å; H57-H241 PolarHBondContact ND1-NE2 2.95Å; H57-H241 AromaticContact NE2-CE1 3.77Å; H57-H241 AromaticContact NE2-ND1 3.42Å; H57-H241 PolarHBondContact NE2-ND1 2.93Å; H57-S243 WeakPolarHBondContact ND1-CB 3.37Å; H57-S243 PolarHBondContact ND1-OG 3.03Å
58R90.1Very high88Confident157 Ų15747.4 Ų47.459%0.59224%0.238SC*.Hα-helixtrans-59.8-43.9-171.5-174176.1-171.9169.46.9112.1S55 C60 K61 D62S55-R58 WeakPolarHBondContact O-CB 3.26Å; S55-R58 PolarHBondContact O-N 3.13Å; R58-C60 VanDerWaalsContact C-N 3.25Å; R58-C60 PolarHBondContact O-N 2.89Å; R58-K61 PolarHBondContact O-N 2.79Å; R58-D62 WeakPolarHBondContact CG-OD2 3.45Å; R58-D62 IonicContact NE-OD2 3.33Å; R58-D62 VanDerWaalsContact O-CB 3.28Å; R58-D62 WeakPolarHBondContact O-CB 3.42Å; R58-D62 PolarHBondContact O-N 3.05Å
59S88.3Confident88.5Confident30 Ų3047.6 Ų47.621%0.2124%0.235CC..Hα-helixtrans-60-34.6179.8-58.20000113.2H57 Y245H57-S59 VanDerWaalsContact C-N 3.35Å; H57-S59 PolarHBondContact O-N 3.17Å; S59-Y245 WeakPolarHBondContact O-CD2 3.32Å
60C91.7Very high88.9Confident1 Ų146 Ų461%0.00723%0.232CC..Hα-helixtrans-77.9-48176-1650000110.9H57 R58 D62 V63 F64 G255 V256H57-C60 PolarHBondContact O-N 2.8Å; H57-C60 VanDerWaalsContact O-N 3.15Å; R58-C60 VanDerWaalsContact C-N 3.25Å; R58-C60 PolarHBondContact O-N 2.89Å; C60-D62 VanDerWaalsContact C-N 3.28Å; C60-D62 PolarHBondContact O-N 2.79Å; C60-V63 WeakPolarHBondContact O-CB 3.33Å; C60-V63 PolarHBondContact O-N 2.79Å; C60-F64 VanDerWaalsContact O-CD2 3.25Å; C60-F64 WeakPolarHBondContact O-CD2 3.46Å; C60-G255 VanDerWaalsContact SG-CA 3.59Å; C60-V256 PolarHBondContact SG-N 2.81Å; C60-V256 PolarHBondContact SG-O 2.81Å
61K91Very high89.4Confident107 Ų10748.8 Ų48.847%0.46525%0.249SC..Hα-helixtrans-58-39179.8-72.9-172.6175-169.80113H57 R58 V63 F64 E257H57-K61 HydrophobicContact CB-CD 4.37Å; H57-K61 HydrophobicContact CB-CG 4.45Å; H57-K61 WeakPolarHBondContact O-CG 3.48Å; H57-K61 PolarHBondContact O-N 2.82Å; R58-K61 PolarHBondContact O-N 2.79Å; K61-V63 PolarHBondContact O-N 2.91Å; K61-V63 VanDerWaalsContact O-N 3.11Å; K61-F64 PolarHBondContact O-N 3.44Å; K61-F64 VanDerWaalsContact O-N 3.12Å; K61-E257 WeakPolarHBondContact CE-OE1 3.32Å
62D90.9Very high89.8Confident78 Ų7851.2 Ų51.242%0.41725%0.253SS..THydrogen-bonded Turntrans-65.8-10.2178.8-74.1-8000113.3R58 C60 R285R58-D62 WeakPolarHBondContact CG-OD2 3.45Å; R58-D62 IonicContact NE-OD2 3.33Å; R58-D62 VanDerWaalsContact O-CB 3.28Å; R58-D62 WeakPolarHBondContact O-CB 3.42Å; R58-D62 PolarHBondContact O-N 3.05Å; C60-D62 VanDerWaalsContact C-N 3.28Å; C60-D62 PolarHBondContact O-N 2.79Å; D62-R285 PolarHBondContact O-NH1 2.93Å; D62-R285 PolarHBondContact O-NH2 2.91Å
63V93.4Very high90.2Very high1 Ų153.7 Ų53.71%0.00626%0.263CS..THydrogen-bonded Turntrans-84.6-32.6173.7178.60000111.4C60 K61 Y245 Q253 Q274 R285C60-V63 WeakPolarHBondContact O-CB 3.33Å; C60-V63 PolarHBondContact O-N 2.79Å; K61-V63 PolarHBondContact O-N 2.91Å; K61-V63 VanDerWaalsContact O-N 3.11Å; V63-Y245 HydrophobicContact CG2-CD2 3.67Å; V63-Y245 HydrophobicContact CG2-CE2 3.64Å; V63-Q253 HydrophobicContact CG2-CB 4.27Å; V63-Q274 HydrophobicContact CG1-CB 3.99Å; V63-R285 PolarHBondContact O-NH1 2.81Å
64F94.2Very high90.6Very high17 Ų1754.1 Ų54.18%0.07527%0.266CS..SBendtrans-69148.8-175.2-71.8-91.4000112.2C60 K61 E257 M287C60-F64 VanDerWaalsContact O-CD2 3.25Å; C60-F64 WeakPolarHBondContact O-CD2 3.46Å; K61-F64 PolarHBondContact O-N 3.44Å; K61-F64 VanDerWaalsContact O-N 3.12Å; F64-E257 HydrophobicContact CE2-CB 4.18Å; F64-E257 HydrophobicContact CZ-CB 4Å; F64-M287 HydrophobicContact CD1-CB 3.91Å; F64-M287 HydrophobicContact CD1-CE 4.34Å; F64-M287 HydrophobicContact CD1-SD 4.43Å; F64-M287 HydrophobicContact CE1-CB 4.36Å
65P93.9Very high91.2Very high9 Ų951.3 Ų51.36%0.05825%0.254CS..PPolyproline II helixtrans-72.5138.4173.629.5-32.1000110.9R285 M287 V297 F314P65-R285 HydrophobicContact CB-CB 3.74Å; P65-R285 HydrophobicContact CG-CB 4.49Å; P65-M287 HydrophobicContact CG-CB 3.89Å; P65-M287 HydrophobicContact CG-CG 3.54Å; P65-M287 HydrophobicContact CG-SD 3.78Å; P65-V297 HydrophobicContact CB-CB 3.95Å; P65-V297 HydrophobicContact CB-CG2 3.72Å; P65-F314 HydrophobicContact CB-CE1 4.49Å; P65-F314 HydrophobicContact CB-CZ 4Å; P65-F314 HydrophobicContact CG-CE1 4.03Å; P65-F314 HydrophobicContact CG-CZ 4.05Å
66H90.7Very high91.6Very high126 Ų12652.5 Ų52.558%0.58326%0.258SS*.PPolyproline II helixtrans-77.4128.9171.6-66.286.1000109.4I68 V297H66-I68 PolarHBondContact O-N 2.9Å; H66-V297 VanDerWaalsContact O-CG2 3.22Å; H66-V297 WeakPolarHBondContact O-CG2 3.34Å
67Q87.6Confident91.7Very high114 Ų11458.8 Ų58.853%0.53329%0.285SS..PPolyproline II helixtrans-64.4131.3176.2-73177.2-5.400110.7F314Q67-F314 HydrophobicContact CB-CE2 4.18Å; Q67-F314 HydrophobicContact CB-CZ 4.24Å; Q67-F314 HydrophobicContact CG-CD1 3.82Å; Q67-F314 HydrophobicContact CG-CD2 4.08Å; Q67-F314 HydrophobicContact CG-CE1 3.56Å; Q67-F314 HydrophobicContact CG-CE2 3.87Å; Q67-F314 HydrophobicContact CG-CG 4.07Å; Q67-F314 HydrophobicContact CG-CZ 3.59Å
68I87.8Confident91.6Very high22 Ų2262.4 Ų62.411%0.11331%0.308CS..  trans-126.6138.1178.3-54.5169.6000107.1H66 V297 I310 G325H66-I68 PolarHBondContact O-N 2.9Å; I68-V297 HydrophobicContact CD1-CG1 4.12Å; I68-V297 HydrophobicContact CD1-CG2 4.36Å; I68-I310 HydrophobicContact CD1-CB 4.3Å; I68-I310 HydrophobicContact CD1-CG2 3.24Å; I68-G325 PolarHBondContact O-N 3.47Å
69E89.9Confident91.4Very high38 Ų3859.9 Ų59.918%0.17831%0.306CS..  trans-132.9141.7178.9-168.3-171.6124.600110H90 S92 V94 Q323E69-H90 PolarHBondContact O-NE2 2.84Å; E69-S92 PolarHBondContact OE1-OG 2.77Å; E69-V94 VanDerWaalsContact OE1-CB 3.24Å; E69-V94 WeakPolarHBondContact OE1-CB 3.4Å; E69-V94 WeakPolarHBondContact OE1-CG2 3.34Å; E69-Q323 HydrophobicContact CB-CG 3.99Å; E69-Q323 HydrophobicContact CG-CG 3.77Å; E69-Q323 PolarHBondContact OE2-NE2 3Å
70G92.2Very high91.3Very high22 Ų2261 Ų6123%0.22731%0.314CS..EExtended strand (participates in β ladder)trans67.3-141.5175.700000111.7L91 V324 G325 L326G70-L91 CarbonylContact C-O 3.51Å; G70-L91 WeakPolarHBondContact CA-O 3.48Å; G70-V324 PolarHBondContact N-O 3.15Å; G70-G325 CarbonylContact O-C 3.46Å; G70-G325 VanDerWaalsContact O-CA 3.29Å; G70-G325 WeakPolarHBondContact O-CA 3.47Å; G70-L326 PolarHBondContact O-N 3.43Å
71V94.6Very high90.8Very high74 Ų7465.2 Ų65.245%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-117.1118.4-178.5-176.20000110L91 L326V71-L91 HydrophobicContact CB-CB 4.32Å; V71-L91 PolarHBondContact N-O 2.84Å; V71-L91 PolarHBondContact O-N 2.9Å; V71-L326 CarbonylContact C-O 3.58Å; V71-L326 VanDerWaalsContact CA-O 3.23Å; V71-L326 WeakPolarHBondContact CA-O 3.14Å
72K93.4Very high90.5Very high72 Ų7264.2 Ų64.231%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-114.5111.4178.2-170-178.2-174.2-175.90111.5I74 T88 L89 L326 G327 V328K72-I74 HydrophobicContact CD-CD1 4.18Å; K72-I74 HydrophobicContact CD-CG1 4.35Å; K72-I74 HydrophobicContact CG-CG1 4.17Å; K72-T88 HydrophobicContact CG-CG2 4.34Å; K72-L89 CarbonylContact C-O 3.58Å; K72-L89 WeakPolarHBondContact CA-O 3.28Å; K72-L326 PolarHBondContact N-O 3.43Å; K72-G327 CarbonylContact O-C 3.54Å; K72-G327 WeakPolarHBondContact O-CA 3.2Å; K72-V328 PolarHBondContact O-N 2.97Å
73M94.8Very high90.4Very high77 Ų7763.7 Ų63.738%0.37933%0.333SS..EExtended strand (participates in β ladder)trans-103.4125.3172.4-172.8-176.5-170.300109.7I75 T88 L89 V328M73-I75 HydrophobicContact CE-CD1 3.69Å; M73-I75 HydrophobicContact CE-CG1 3.84Å; M73-I75 HydrophobicContact CG-CG1 4.34Å; M73-I75 HydrophobicContact SD-CD1 4.2Å; M73-I75 HydrophobicContact SD-CG1 4.5Å; M73-T88 CarbonylContact O-C 3.55Å; M73-T88 WeakPolarHBondContact O-CA 3.21Å; M73-L89 HydrophobicContact CB-CB 4.24Å; M73-L89 PolarHBondContact N-O 2.65Å; M73-L89 PolarHBondContact O-N 3.33Å; M73-L89 HydrophobicContact SD-CD1 4.21Å; M73-V328 CarbonylContact C-O 3.53Å; M73-V328 WeakPolarHBondContact CA-O 3.46Å
74I94.3Very high90.2Very high27 Ų2768.2 Ų68.214%0.13835%0.353CS..EExtended strand (participates in β ladder)trans-117.7123175.3-52.1174.9000107.4K72 H87 T88 V328 N329 V330K72-I74 HydrophobicContact CD-CD1 4.18Å; K72-I74 HydrophobicContact CD-CG1 4.35Å; K72-I74 HydrophobicContact CG-CG1 4.17Å; I74-H87 CarbonylContact C-O 3.56Å; I74-H87 WeakPolarHBondContact CA-O 3.39Å; I74-T88 HydrophobicContact CG1-CG2 4.26Å; I74-V328 PolarHBondContact N-O 2.95Å; I74-N329 HydrophobicContact CB-CB 4.4Å; I74-N329 CarbonylContact O-C 3.53Å; I74-N329 VanDerWaalsContact O-CA 3.32Å; I74-N329 WeakPolarHBondContact O-CA 3.23Å; I74-N329 PolarHBondContact O-OD1 3.13Å; I74-V330 PolarHBondContact O-N 3.09Å
75I93.7Very high90.2Very high60 Ų6068 Ų6831%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-114.2109.8173.8-59160000107.5M73 S86 H87 V330M73-I75 HydrophobicContact CE-CD1 3.69Å; M73-I75 HydrophobicContact CE-CG1 3.84Å; M73-I75 HydrophobicContact CG-CG1 4.34Å; M73-I75 HydrophobicContact SD-CD1 4.2Å; M73-I75 HydrophobicContact SD-CG1 4.5Å; I75-S86 CarbonylContact O-C 3.53Å; I75-S86 WeakPolarHBondContact O-CA 3.32Å; I75-H87 HydrophobicContact CB-CB 4.28Å; I75-H87 PolarHBondContact N-O 2.72Å; I75-H87 PolarHBondContact O-N 2.85Å; I75-V330 CarbonylContact C-O 3.51Å; I75-V330 WeakPolarHBondContact CA-O 3.45Å
76N92.4Very high90.2Very high56 Ų5668.1 Ų68.130%0.29935%0.354SS..EExtended strand (participates in β ladder)trans-98.9123.3176.5-66.1-50.2000109.4S86 N329 V330 G331N76-S86 WeakPolarHBondContact OD1-CB 3.27Å; N76-S86 PolarHBondContact OD1-OG 2.77Å; N76-N329 PolarHBondContact ND2-OD1 3.44Å; N76-V330 PolarHBondContact N-O 2.84Å; N76-G331 VanDerWaalsContact O-CA 3.27Å; N76-G331 WeakPolarHBondContact O-CA 3.39Å
77K90.8Very high90.4Very high134 Ų13465 Ų6558%0.58334%0.339SS*.EExtended strand (participates in β ladder)trans-123.6115.9175-168167.8-178.6172.50109.8L79 V85K77-L79 HydrophobicContact CD-CD2 3.95Å; K77-L79 HydrophobicContact CG-CD2 3.86Å; K77-L79 PolarHBondContact O-N 3.32Å; K77-V85 PolarHBondContact N-O 2.76Å; K77-V85 PolarHBondContact O-N 2.98Å
78T87.1Confident90.7Very high88 Ų8860.3 Ų60.354%0.5432%0.319SS..EExtended strand (participates in β ladder)trans-86110.9172.9-55.30000108.1S80 K84T78-S80 WeakPolarHBondContact CG2-O 3.49Å; T78-K84 HydrophobicContact CG2-CG 4.12Å
79L86.9Confident91Very high105 Ų10562.5 Ų62.555%0.5533%0.33SS..EExtended strand (participates in β ladder)trans-86.8-33179-58.1-176.9000111.4K77 F83 V85K77-L79 HydrophobicContact CD-CD2 3.95Å; K77-L79 HydrophobicContact CG-CD2 3.86Å; K77-L79 PolarHBondContact O-N 3.32Å; L79-F83 HydrophobicContact CB-CD1 4.07Å; L79-F83 HydrophobicContact CD1-CD1 3.77Å; L79-F83 HydrophobicContact CD1-CE1 3.78Å; L79-F83 HydrophobicContact CG-CD1 4.2Å; L79-F83 PolarHBondContact N-O 2.81Å; L79-V85 HydrophobicContact CD1-CG2 3.92Å; L79-V85 HydrophobicContact CG-CG2 4.31Å
80S86.2Confident91.1Very high52 Ų5261.6 Ų61.636%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-149.4172.9173.677.70000110.5T78 F82 F83T78-S80 WeakPolarHBondContact CG2-O 3.49Å; S80-F82 PolarHBondContact O-N 2.67Å; S80-F82 VanDerWaalsContact O-N 3.09Å; S80-F82 PolarHBondContact OG-N 3.06Å; S80-F83 PolarHBondContact N-O 2.84Å; S80-F83 PolarHBondContact O-N 2.82Å; S80-F83 VanDerWaalsContact OG-CB 3.32Å; S80-F83 WeakPolarHBondContact OG-CB 3.33Å; S80-F83 PolarHBondContact OG-N 2.82Å; S80-F83 VanDerWaalsContact OG-N 3.09Å
81S81.3Confident91.1Very high91 Ų9165.3 Ų65.364%0.63634%0.34SS*.THydrogen-bonded Turntrans-59.2-20.6174.7-57.80000113.7
82F84.6Confident90.9Very high85 Ų8562.6 Ų62.637%0.37333%0.325SS..THydrogen-bonded Turntrans-111.7-3.7-175.2-58.7-57.7000112.9S80 H105 L106 S108S80-F82 PolarHBondContact O-N 2.67Å; S80-F82 VanDerWaalsContact O-N 3.09Å; S80-F82 PolarHBondContact OG-N 3.06Å; F82-H105 CarbonylContact O-C 3.55Å; F82-H105 VanDerWaalsContact O-CA 3.27Å; F82-H105 WeakPolarHBondContact O-CA 3.41Å; F82-H105 PolarHBondContact O-ND1 3.37Å; F82-L106 WeakPolarHBondContact CB-O 3.23Å; F82-L106 VanDerWaalsContact CD1-O 3.28Å; F82-L106 WeakPolarHBondContact CD1-O 3.36Å; F82-L106 PolarHBondContact O-N 2.84Å; F82-S108 WeakPolarHBondContact CE1-OG 3.07Å
83F87.9Confident90.4Very high68 Ų6864.2 Ų64.230%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-140.2115.2-172.8-164.1-96.3000111.2L79 S80 V85 V103 E104 H105L79-F83 HydrophobicContact CB-CD1 4.07Å; L79-F83 HydrophobicContact CD1-CD1 3.77Å; L79-F83 HydrophobicContact CD1-CE1 3.78Å; L79-F83 HydrophobicContact CG-CD1 4.2Å; L79-F83 PolarHBondContact N-O 2.81Å; S80-F83 PolarHBondContact N-O 2.84Å; S80-F83 PolarHBondContact O-N 2.82Å; S80-F83 VanDerWaalsContact OG-CB 3.32Å; S80-F83 WeakPolarHBondContact OG-CB 3.33Å; S80-F83 PolarHBondContact OG-N 2.82Å; S80-F83 VanDerWaalsContact OG-N 3.09Å; F83-V85 HydrophobicContact CD1-CG2 3.83Å; F83-V85 HydrophobicContact CE1-CG2 3.26Å; F83-V85 HydrophobicContact CZ-CG2 4.08Å; F83-V103 HydrophobicContact CD2-CG1 4.3Å; F83-V103 HydrophobicContact CE1-CG1 4.24Å; F83-V103 HydrophobicContact CE2-CG1 3.38Å; F83-V103 HydrophobicContact CZ-CG1 3.35Å; F83-E104 WeakPolarHBondContact CA-O 3.27Å; F83-H105 HydrophobicContact CD2-CB 4.28Å
84K90.6Very high89.8Confident95 Ų9566.6 Ų66.641%0.41337%0.37SS..EExtended strand (participates in β ladder)trans-121138.2177.9-66.3177.2-172.5165.50109.7T78 E104T78-K84 HydrophobicContact CG2-CG 4.12Å; K84-E104 HydrophobicContact CB-CB 4.42Å; K84-E104 PolarHBondContact N-O 3.25Å; K84-E104 IonicContact NZ-OE2 2.81Å; K84-E104 PolarHBondContact O-N 2.84Å
85V93.9Very high89.3Confident14 Ų1467.4 Ų67.49%0.08538%0.378CS..EExtended strand (participates in β ladder)trans-122134.3177.3-177.90000108.1K77 L79 F83 F101 H102K77-V85 PolarHBondContact N-O 2.76Å; K77-V85 PolarHBondContact O-N 2.98Å; L79-V85 HydrophobicContact CD1-CG2 3.92Å; L79-V85 HydrophobicContact CG-CG2 4.31Å; F83-V85 HydrophobicContact CD1-CG2 3.83Å; F83-V85 HydrophobicContact CE1-CG2 3.26Å; F83-V85 HydrophobicContact CZ-CG2 4.08Å; V85-F101 HydrophobicContact CG1-CD2 4.22Å; V85-F101 HydrophobicContact CG1-CE2 3.25Å; V85-F101 HydrophobicContact CG1-CZ 3.64Å; V85-H102 CarbonylContact C-O 3.59Å
86S94.1Very high88.9Confident11 Ų1170 Ų708%0.07740%0.399CS..EExtended strand (participates in β ladder)trans-130.5128.8179.2-1760000110.1I75 N76 H102I75-S86 CarbonylContact O-C 3.53Å; I75-S86 WeakPolarHBondContact O-CA 3.32Å; N76-S86 WeakPolarHBondContact OD1-CB 3.27Å; N76-S86 PolarHBondContact OD1-OG 2.77Å; S86-H102 PolarHBondContact N-O 2.71Å; S86-H102 PolarHBondContact O-N 3.3Å
87H94.8Very high88.8Confident59 Ų5970.5 Ų70.527%0.27341%0.407SS..EExtended strand (participates in β ladder)trans-107.8115.1175.5-61.9-96.7000107.9I74 I75 Y99 F101I74-H87 CarbonylContact C-O 3.56Å; I74-H87 WeakPolarHBondContact CA-O 3.39Å; I75-H87 HydrophobicContact CB-CB 4.28Å; I75-H87 PolarHBondContact N-O 2.72Å; I75-H87 PolarHBondContact O-N 2.85Å; H87-Y99 HydrophobicContact CB-CE2 4.09Å; H87-Y99 PolarHBondContact CE1-OH 2.85Å; H87-Y99 AromaticContact ND1-CE2 3.92Å; H87-Y99 AromaticContact ND1-CZ 3.71Å; H87-Y99 PolarHBondContact ND1-OH 2.79Å; H87-F101 AromaticContact CE1-CD2 3.57Å; H87-F101 AromaticContact CE1-CE2 3.41Å; H87-F101 VanDerWaalsContact CE1-CE2 3.41Å; H87-F101 WeakPolarHBondContact CE1-CE2 3.33Å; H87-F101 AromaticContact ND1-CD2 3.69Å; H87-F101 AromaticContact NE2-CE2 3.8Å
88T94.1Very high88.8Confident17 Ų1767.4 Ų67.410%0.10439%0.392CS..EExtended strand (participates in β ladder)trans-110.2115.8176.7-62.90000109.5K72 M73 I74 R100K72-T88 HydrophobicContact CG-CG2 4.34Å; M73-T88 CarbonylContact O-C 3.55Å; M73-T88 WeakPolarHBondContact O-CA 3.21Å; I74-T88 HydrophobicContact CG1-CG2 4.26Å; T88-R100 PolarHBondContact N-O 3Å; T88-R100 PolarHBondContact O-N 2.84Å
89L93.9Very high89.1Confident67 Ų6767.1 Ų67.135%0.35138%0.382SS..EExtended strand (participates in β ladder)trans-102.4120170.5-67.6157.1000107.7K72 M73 Y99K72-L89 CarbonylContact C-O 3.58Å; K72-L89 WeakPolarHBondContact CA-O 3.28Å; M73-L89 HydrophobicContact CB-CB 4.24Å; M73-L89 PolarHBondContact N-O 2.65Å; M73-L89 PolarHBondContact O-N 3.33Å; M73-L89 HydrophobicContact SD-CD1 4.21Å; L89-Y99 HydrophobicContact CD2-CD2 3.5Å; L89-Y99 VanDerWaalsContact CD2-CD2 3.5Å; L89-Y99 HydrophobicContact CD2-CE2 4.37Å; L89-Y99 HydrophobicContact CD2-CG 4.22Å; L89-Y99 HydrophobicContact CG-CD2 3.97Å
90H92.9Very high89.5Confident20 Ų2065.4 Ų65.49%0.09337%0.368CS..EExtended strand (participates in β ladder)trans-119.1112.5176.4-174.5-92.5000109.4E69 S97 Y98E69-H90 PolarHBondContact O-NE2 2.84Å; H90-S97 CarbonylContact O-C 3.55Å; H90-S97 VanDerWaalsContact O-CA 3.26Å; H90-S97 WeakPolarHBondContact O-CA 3.39Å; H90-Y98 HydrophobicContact CB-CD1 4.14Å; H90-Y98 HydrophobicContact CB-CD2 4.29Å; H90-Y98 HydrophobicContact CB-CE1 3.69Å; H90-Y98 HydrophobicContact CB-CE2 3.85Å; H90-Y98 HydrophobicContact CB-CG 4.42Å; H90-Y98 AromaticContact CG-CE1 3.71Å; H90-Y98 AromaticContact CG-CZ 3.79Å; H90-Y98 PolarHBondContact N-O 2.84Å; H90-Y98 AromaticContact ND1-CE1 3.49Å; H90-Y98 WeakPolarHBondContact ND1-CE1 3.39Å; H90-Y98 PolarHBondContact O-N 2.61Å
91L92Very high89.8Confident100 Ų10066.5 Ų66.552%0.52437%0.366SS..EExtended strand (participates in β ladder)trans-105.3117.5176.4-58.4174.4000108.2G70 V71 S97G70-L91 CarbonylContact C-O 3.51Å; G70-L91 WeakPolarHBondContact CA-O 3.48Å; V71-L91 HydrophobicContact CB-CB 4.32Å; V71-L91 PolarHBondContact N-O 2.84Å; V71-L91 PolarHBondContact O-N 2.9Å; L91-S97 WeakPolarHBondContact CA-OG 3.38Å
92S88.7Confident90.4Very high17 Ų1763.8 Ų63.812%0.11934%0.343CS..  trans-126.9151177.7161.90000110.3E69 V94 S95 S97E69-S92 PolarHBondContact OE1-OG 2.77Å; S92-V94 PolarHBondContact OG-N 2.8Å; S92-S95 WeakPolarHBondContact CB-O 3.43Å; S92-S95 WeakPolarHBondContact CB-OG 3.34Å; S92-S95 PolarHBondContact OG-N 2.87Å; S92-S95 PolarHBondContact OG-O 2.81Å; S92-S95 PolarHBondContact OG-OG 2.83Å; S92-S97 PolarHBondContact N-OG 2.82Å
93A82.9Confident90.9Very high106 Ų10661.2 Ų61.288%0.87634%0.335SS*.SBendtrans-89-15.3173.300000112.8
94V82.9Confident91Very high126 Ų12660.2 Ų60.276%0.76433%0.331SS*.SBendtrans-110.3-37.9-176.3-1700000111.5E69 S92E69-V94 VanDerWaalsContact OE1-CB 3.24Å; E69-V94 WeakPolarHBondContact OE1-CB 3.4Å; E69-V94 WeakPolarHBondContact OE1-CG2 3.34Å; S92-V94 PolarHBondContact OG-N 2.8Å
95S83.4Confident90.9Very high45 Ų4559.3 Ų59.332%0.31533%0.328SS..SBendtrans-106.5153.9177.258.40000111.1S92 S97S92-S95 WeakPolarHBondContact CB-O 3.43Å; S92-S95 WeakPolarHBondContact CB-OG 3.34Å; S92-S95 PolarHBondContact OG-N 2.87Å; S92-S95 PolarHBondContact OG-O 2.81Å; S92-S95 PolarHBondContact OG-OG 2.83Å; S95-S97 PolarHBondContact O-N 2.77Å
96P86.4Confident90.5Very high114 Ų11461.5 Ų61.574%0.7434%0.339SS*.  trans-55.5132.6175.5-24.233.7000111
97S90.3Very high89.4Confident67 Ų6765.7 Ų65.747%0.46936%0.357SS..  trans-67.1136.2172.7-65.40000109.5H90 L91 S92 S95H90-S97 CarbonylContact O-C 3.55Å; H90-S97 VanDerWaalsContact O-CA 3.26Å; H90-S97 WeakPolarHBondContact O-CA 3.39Å; L91-S97 WeakPolarHBondContact CA-OG 3.38Å; S92-S97 PolarHBondContact N-OG 2.82Å; S95-S97 PolarHBondContact O-N 2.77Å
98Y90.4Very high87.8Confident68 Ų6866 Ų6627%0.26737%0.366SS..EExtended strand (participates in β ladder)trans-138.2151.1-179.364.4-92.5000111.4H90 R100H90-Y98 HydrophobicContact CB-CD1 4.14Å; H90-Y98 HydrophobicContact CB-CD2 4.29Å; H90-Y98 HydrophobicContact CB-CE1 3.69Å; H90-Y98 HydrophobicContact CB-CE2 3.85Å; H90-Y98 HydrophobicContact CB-CG 4.42Å; H90-Y98 AromaticContact CG-CE1 3.71Å; H90-Y98 AromaticContact CG-CZ 3.79Å; H90-Y98 PolarHBondContact N-O 2.84Å; H90-Y98 AromaticContact ND1-CE1 3.49Å; H90-Y98 WeakPolarHBondContact ND1-CE1 3.39Å; H90-Y98 PolarHBondContact O-N 2.61Å; Y98-R100 HydrophobicContact CD2-CB 4.22Å; Y98-R100 HydrophobicContact CE2-CB 4.29Å
99Y93.8Very high85.9Confident83 Ų8368.1 Ų68.133%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-106.5133.6166.4167.8-104000108.4H87 L89 F101 D125 S126H87-Y99 HydrophobicContact CB-CE2 4.09Å; H87-Y99 PolarHBondContact CE1-OH 2.85Å; H87-Y99 AromaticContact ND1-CE2 3.92Å; H87-Y99 AromaticContact ND1-CZ 3.71Å; H87-Y99 PolarHBondContact ND1-OH 2.79Å; L89-Y99 HydrophobicContact CD2-CD2 3.5Å; L89-Y99 VanDerWaalsContact CD2-CD2 3.5Å; L89-Y99 HydrophobicContact CD2-CE2 4.37Å; L89-Y99 HydrophobicContact CD2-CG 4.22Å; L89-Y99 HydrophobicContact CG-CD2 3.97Å; Y99-F101 HydrophobicContact CE1-CB 4.06Å; Y99-D125 CarbonylContact O-C 3.54Å; Y99-D125 WeakPolarHBondContact O-CA 3.44Å; Y99-S126 PolarHBondContact N-OG 2.83Å; Y99-S126 PolarHBondContact O-N 2.82Å
100R93.8Very high83.7Confident68 Ų6872.8 Ų72.826%0.25740%0.402SS..EExtended strand (participates in β ladder)trans-124.9126.9176.9-170.3-179.9-57.7171.15.3110.2T88 Y98 E123 M124T88-R100 PolarHBondContact N-O 3Å; T88-R100 PolarHBondContact O-N 2.84Å; Y98-R100 HydrophobicContact CD2-CB 4.22Å; Y98-R100 HydrophobicContact CE2-CB 4.29Å; R100-E123 WeakPolarHBondContact CD-OE2 3.03Å; R100-E123 HydrophobicContact CG-CB 4.38Å; R100-E123 IonicContact CZ-OE2 2.69Å; R100-E123 IonicContact NE-OE2 3.84Å; R100-E123 IonicContact NH1-OE2 3.65Å; R100-E123 PolarHBondContact NH1-OE2 2.93Å; R100-E123 VanDerWaalsContact NH1-OE2 3.16Å; R100-M124 WeakPolarHBondContact CA-O 3.28Å
101F94.3Very high81.5Confident75 Ų7581.3 Ų81.333%0.32944%0.435SS..EExtended strand (participates in β ladder)trans-101.8118.9173.5-175.6-114.9000108.9V85 H87 Y99 V103 E123 M124V85-F101 HydrophobicContact CG1-CD2 4.22Å; V85-F101 HydrophobicContact CG1-CE2 3.25Å; V85-F101 HydrophobicContact CG1-CZ 3.64Å; H87-F101 AromaticContact CE1-CD2 3.57Å; H87-F101 AromaticContact CE1-CE2 3.41Å; H87-F101 VanDerWaalsContact CE1-CE2 3.41Å; H87-F101 WeakPolarHBondContact CE1-CE2 3.33Å; H87-F101 AromaticContact ND1-CD2 3.69Å; H87-F101 AromaticContact NE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE1-CB 4.06Å; F101-V103 HydrophobicContact CD1-CG2 3.9Å; F101-V103 HydrophobicContact CE1-CG2 3.2Å; F101-V103 HydrophobicContact CE2-CG2 4.38Å; F101-V103 HydrophobicContact CZ-CG2 3.49Å; F101-V103 VanDerWaalsContact CZ-CG2 3.49Å; F101-E123 CarbonylContact O-C 3.6Å; F101-E123 WeakPolarHBondContact O-CA 3.18Å; F101-M124 PolarHBondContact N-O 2.72Å; F101-M124 PolarHBondContact O-N 3.49Å
102H93.7Very high79.2Confident35 Ų3578.9 Ų78.916%0.16243%0.426CS..EExtended strand (participates in β ladder)trans-114.6131.2179165.8-78.1000109.4V85 S86 I121 G122 E123V85-H102 CarbonylContact C-O 3.59Å; S86-H102 PolarHBondContact N-O 2.71Å; S86-H102 PolarHBondContact O-N 3.3Å; H102-I121 VanDerWaalsContact NE2-CG2 3.32Å; H102-I121 WeakPolarHBondContact NE2-CG2 3.38Å; H102-G122 CarbonylContact C-O 3.54Å; H102-G122 WeakPolarHBondContact CA-O 3.32Å; H102-E123 HydrophobicContact CB-CG 3.96Å; H102-E123 VanDerWaalsContact CD2-CG 3.43Å; H102-E123 WeakPolarHBondContact CD2-CG 3.42Å; H102-E123 IonicContact CD2-OE1 2.96Å; H102-E123 PolarHBondContact CD2-OE1 2.8Å; H102-E123 VanDerWaalsContact CD2-OE1 3.24Å
103V93.7Very high77.3Confident31 Ų3188.9 Ų88.919%0.18847%0.467CS..EExtended strand (participates in β ladder)trans-126.2130.2175.3179.30000108.3F83 F101 I121 G122F83-V103 HydrophobicContact CD2-CG1 4.3Å; F83-V103 HydrophobicContact CE1-CG1 4.24Å; F83-V103 HydrophobicContact CE2-CG1 3.38Å; F83-V103 HydrophobicContact CZ-CG1 3.35Å; F101-V103 HydrophobicContact CD1-CG2 3.9Å; F101-V103 HydrophobicContact CE1-CG2 3.2Å; F101-V103 HydrophobicContact CE2-CG2 4.38Å; F101-V103 HydrophobicContact CZ-CG2 3.49Å; F101-V103 VanDerWaalsContact CZ-CG2 3.49Å; V103-I121 CarbonylContact O-C 3.45Å; V103-I121 WeakPolarHBondContact O-CA 3.5Å; V103-G122 PolarHBondContact N-O 3Å; V103-G122 PolarHBondContact O-N 3.43Å
104E90.8Very high75.7Confident46 Ų4687.7 Ų87.722%0.21545%0.446CS..EExtended strand (participates in β ladder)trans-120.9121.7174.3173.9-177.1-153.800108.6F83 K84 I121F83-E104 WeakPolarHBondContact CA-O 3.27Å; K84-E104 HydrophobicContact CB-CB 4.42Å; K84-E104 PolarHBondContact N-O 3.25Å; K84-E104 IonicContact NZ-OE2 2.81Å; K84-E104 PolarHBondContact O-N 2.84Å; E104-I121 HydrophobicContact CB-CG1 4.28Å; E104-I121 HydrophobicContact CG-CG1 4.04Å
105H89.1Confident74.3Confident76 Ų7691.2 Ų91.235%0.35245%0.451SS..EExtended strand (participates in β ladder)trans-109113.8169.8-176.350.8000109.4F82 F83 A119 L120F82-H105 CarbonylContact O-C 3.55Å; F82-H105 VanDerWaalsContact O-CA 3.27Å; F82-H105 WeakPolarHBondContact O-CA 3.41Å; F82-H105 PolarHBondContact O-ND1 3.37Å; F83-H105 HydrophobicContact CD2-CB 4.28Å; H105-A119 CarbonylContact O-C 3.55Å; H105-A119 WeakPolarHBondContact O-CA 3.28Å; H105-L120 HydrophobicContact CB-CB 4.4Å; H105-L120 PolarHBondContact N-O 2.6Å; H105-L120 PolarHBondContact O-N 3.48Å
106L84.2Confident73.2Confident60 Ų6092 Ų9231%0.31445%0.452SS..EExtended strand (participates in β ladder)trans-92.7125174.1-159.487.6000108.4F82 A117 A119F82-L106 WeakPolarHBondContact CB-O 3.23Å; F82-L106 VanDerWaalsContact CD1-O 3.28Å; F82-L106 WeakPolarHBondContact CD1-O 3.36Å; F82-L106 PolarHBondContact O-N 2.84Å; L106-A117 HydrophobicContact CD1-CB 4.16Å; L106-A117 HydrophobicContact CD2-CB 4.22Å; L106-A117 HydrophobicContact CG-CB 4.1Å; L106-A119 HydrophobicContact CD1-CB 4.14Å
107Q72.3Confident72.3Confident100 Ų10087.7 Ų87.747%0.46743%0.426SS..  trans-88.1128.4173.1176.7170.72.800109.1D109 P118Q107-D109 PolarHBondContact O-N 3.08Å; Q107-D109 VanDerWaalsContact O-N 3.17Å; Q107-P118 HydrophobicContact CB-CB 4.26Å; Q107-P118 HydrophobicContact CB-CG 3.94Å; Q107-P118 HydrophobicContact CG-CG 4.17Å; Q107-P118 PolarHBondContact N-O 2.79Å
108S59.8Low71.9Confident65 Ų6584.8 Ų84.846%0.45541%0.406SS..  trans-71.7107.2174.4-151.60000108.9F82F82-S108 WeakPolarHBondContact CE1-OG 3.07Å
109D53.9Low71.8Confident62 Ų6282 Ų8233%0.33240%0.396SS..  trans-93.3111.5160.7-94.1-13.2000108.4Q107 Y111 P118Q107-D109 PolarHBondContact O-N 3.08Å; Q107-D109 VanDerWaalsContact O-N 3.17Å; D109-Y111 PolarHBondContact O-N 3.46Å; D109-P118 HydrophobicContact CB-CG 4.43Å; D109-P118 WeakPolarHBondContact OD2-CD 3.42Å; D109-P118 WeakPolarHBondContact OD2-CG 3.35Å
110D48.6Very low71.6Confident164 Ų16482.2 Ų82.288%0.87740%0.403SS*.THydrogen-bonded Turntrans-62.6-7.1171.3-78.6-26.2000112.7
111Y46.9Very low71.6Confident200 Ų20081.1 Ų81.178%0.78440%0.402SS*.THydrogen-bonded Turntrans-93.4-11.6-171.1-114.8-92.9000115.8D109D109-Y111 PolarHBondContact O-N 3.46Å
112S43.4Very low71.5Confident49 Ų4978.8 Ų78.834%0.34340%0.398SS..  trans-142.5124.2-179.5104.30000113.6D114S112-D114 PolarHBondContact O-N 3.2Å; S112-D114 VanDerWaalsContact O-N 3.07Å; S112-D114 WeakPolarHBondContact OG-CB 3.37Å; S112-D114 PolarHBondContact OG-N 3.13Å
113K47.8Very low71.5Confident226 Ų22679.1 Ų79.198%0.98340%0.4SS*.  trans-71.921.8160.7-72.6-178.1175.4176.50111.9
114D50.3Low71.5Confident82 Ų8282.6 Ų82.644%0.43942%0.415SS..SBendtrans-92.1146.7-177.2-154.77.8000110.7S112 D116 R143S112-D114 PolarHBondContact O-N 3.2Å; S112-D114 VanDerWaalsContact O-N 3.07Å; S112-D114 WeakPolarHBondContact OG-CB 3.37Å; S112-D114 PolarHBondContact OG-N 3.13Å; D114-D116 PolarHBondContact O-N 2.88Å; D114-R143 IonicContact OD2-CZ 3.16Å; D114-R143 IonicContact OD2-NH2 3.85Å; D114-R143 PolarHBondContact OD2-NH2 2.96Å
115K53.6Low71.5Confident199 Ų19981.9 Ų81.987%0.86541%0.413SS*.SBendtrans-71.5-1.6-166.1-75.1-176.6174.9-178.20115.2
116D60.5Low71.4Confident61 Ų6182.1 Ų82.133%0.32642%0.423SS..  trans-123.560.3-170.5-61.8-32.4000110.9D114 L135 H137 R143 R165D114-D116 PolarHBondContact O-N 2.88Å; D116-L135 HydrophobicContact CB-CD2 4.4Å; D116-H137 PolarHBondContact O-CE1 2.7Å; D116-H137 PolarHBondContact O-NE2 2.84Å; D116-R143 IonicContact OD2-CZ 3.08Å; D116-R143 IonicContact OD2-NH1 3.19Å; D116-R143 PolarHBondContact OD2-NH1 2.96Å; D116-R165 IonicContact OD2-NH1 3.91Å; D116-R165 PolarHBondContact OD2-NH1 3.11Å
117A67.6Low71.5Confident24 Ų2482.2 Ų82.220%0.19843%0.429CS..  trans-59.4152.1176.300000111.7L106 A119L106-A117 HydrophobicContact CD1-CB 4.16Å; L106-A117 HydrophobicContact CD2-CB 4.22Å; L106-A117 HydrophobicContact CG-CB 4.1Å; A117-A119 PolarHBondContact O-N 2.93Å
118P82.3Confident72Confident6 Ų678.7 Ų78.74%0.03942%0.419CS..  trans-53.6132.117518.9-29.2000110.6Q107 D109 L135Q107-P118 HydrophobicContact CB-CB 4.26Å; Q107-P118 HydrophobicContact CB-CG 3.94Å; Q107-P118 HydrophobicContact CG-CG 4.17Å; Q107-P118 PolarHBondContact N-O 2.79Å; D109-P118 HydrophobicContact CB-CG 4.43Å; D109-P118 WeakPolarHBondContact OD2-CD 3.42Å; D109-P118 WeakPolarHBondContact OD2-CG 3.35Å; P118-L135 CarbonylContact C-O 3.47Å; P118-L135 VanDerWaalsContact CA-O 3.23Å; P118-L135 WeakPolarHBondContact CA-O 3.41Å; P118-L135 WeakPolarHBondContact CB-O 3.49Å
119A87.3Confident73.4Confident9 Ų976.2 Ų76.27%0.07440%0.402CS..EExtended strand (participates in β ladder)trans-141.4137.6-171.600000110.9H105 L106 A117 L135H105-A119 CarbonylContact O-C 3.55Å; H105-A119 WeakPolarHBondContact O-CA 3.28Å; L106-A119 HydrophobicContact CD1-CB 4.14Å; A117-A119 PolarHBondContact O-N 2.93Å; A119-L135 PolarHBondContact N-O 2.87Å; A119-L135 PolarHBondContact O-N 2.82Å
120L90.6Very high75.2Confident89 Ų8976.7 Ų76.747%0.46640%0.404SS..EExtended strand (participates in β ladder)trans-111.7119170.4-67.1169.9000107.9H105 A134H105-L120 HydrophobicContact CB-CB 4.4Å; H105-L120 PolarHBondContact N-O 2.6Å; H105-L120 PolarHBondContact O-N 3.48Å; L120-A134 HydrophobicContact CD2-CB 3.47Å; L120-A134 VanDerWaalsContact CD2-CB 3.47Å
121I92.2Very high77.3Confident45 Ų4570.3 Ų70.323%0.23137%0.37CS..EExtended strand (participates in β ladder)trans-119.6127.5-179.3-59.7165.9000107.8H102 V103 E104 A132 H133H102-I121 VanDerWaalsContact NE2-CG2 3.32Å; H102-I121 WeakPolarHBondContact NE2-CG2 3.38Å; V103-I121 CarbonylContact O-C 3.45Å; V103-I121 WeakPolarHBondContact O-CA 3.5Å; E104-I121 HydrophobicContact CB-CG1 4.28Å; E104-I121 HydrophobicContact CG-CG1 4.04Å; I121-A132 CarbonylContact O-C 3.59Å; I121-A132 WeakPolarHBondContact O-CA 3.43Å; I121-H133 HydrophobicContact CB-CB 4.24Å; I121-H133 PolarHBondContact N-O 2.79Å; I121-H133 PolarHBondContact O-N 3.21Å
122G93.8Very high79.4Confident25 Ų2562.1 Ų62.126%0.25834%0.344SS..EExtended strand (participates in β ladder)trans-126.7126.117400000110.4H102 V103H102-G122 CarbonylContact C-O 3.54Å; H102-G122 WeakPolarHBondContact CA-O 3.32Å; V103-G122 PolarHBondContact N-O 3Å; V103-G122 PolarHBondContact O-N 3.43Å
123E93.6Very high81.7Confident43 Ų4362.2 Ų62.220%0.20134%0.339CS..EExtended strand (participates in β ladder)trans-117.5128.3171.2-63.5-169.7177.500109.8R100 F101 H102 L130 N131R100-E123 WeakPolarHBondContact CD-OE2 3.03Å; R100-E123 HydrophobicContact CG-CB 4.38Å; R100-E123 IonicContact CZ-OE2 2.69Å; R100-E123 IonicContact NE-OE2 3.84Å; R100-E123 IonicContact NH1-OE2 3.65Å; R100-E123 PolarHBondContact NH1-OE2 2.93Å; R100-E123 VanDerWaalsContact NH1-OE2 3.16Å; F101-E123 CarbonylContact O-C 3.6Å; F101-E123 WeakPolarHBondContact O-CA 3.18Å; H102-E123 HydrophobicContact CB-CG 3.96Å; H102-E123 VanDerWaalsContact CD2-CG 3.43Å; H102-E123 WeakPolarHBondContact CD2-CG 3.42Å; H102-E123 IonicContact CD2-OE1 2.96Å; H102-E123 PolarHBondContact CD2-OE1 2.8Å; H102-E123 VanDerWaalsContact CD2-OE1 3.24Å; E123-L130 CarbonylContact O-C 3.59Å; E123-L130 WeakPolarHBondContact O-CA 3.3Å; E123-N131 HydrophobicContact CB-CB 4.25Å; E123-N131 PolarHBondContact N-O 2.84Å; E123-N131 PolarHBondContact O-N 2.8Å
124M93.1Very high83.8Confident103 Ų10352.2 Ų52.251%0.50730%0.298SS..EExtended strand (participates in β ladder)trans-124.5130.8171.8-169.7174.9-177.300109.6R100 F101 L130R100-M124 WeakPolarHBondContact CA-O 3.28Å; F101-M124 PolarHBondContact N-O 2.72Å; F101-M124 PolarHBondContact O-N 3.49Å; M124-L130 HydrophobicContact CB-CD1 4.19Å
125D90.6Very high85.7Confident32 Ų3250.4 Ų50.417%0.17129%0.288CS..EExtended strand (participates in β ladder)trans-95.2164.9172.674.621.7000112.5Y99 S127 G128 S129Y99-D125 CarbonylContact O-C 3.54Å; Y99-D125 WeakPolarHBondContact O-CA 3.44Å; D125-S127 PolarHBondContact O-N 2.81Å; D125-S127 VanDerWaalsContact O-N 3.14Å; D125-S127 WeakPolarHBondContact OD1-CA 3.49Å; D125-S127 WeakPolarHBondContact OD1-CB 3.01Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 2.76Å; D125-S127 PolarHBondContact OD2-OG 3.01Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; D125-G128 PolarHBondContact O-N 2.8Å; D125-G128 VanDerWaalsContact O-N 3.13Å; D125-G128 PolarHBondContact OD1-N 2.84Å; D125-G128 VanDerWaalsContact OD1-N 3.08Å; D125-S129 PolarHBondContact N-O 2.82Å; D125-S129 WeakPolarHBondContact OD1-CB 3.41Å; D125-S129 PolarHBondContact OD1-N 3.18Å; D125-S129 VanDerWaalsContact OD2-CB 3.26Å; D125-S129 WeakPolarHBondContact OD2-CB 3.22Å; D125-S129 PolarHBondContact OD2-OG 2.84Å
126S87.6Confident87.3Confident80 Ų8044.3 Ų44.356%0.55927%0.265SS*.THydrogen-bonded Turntrans-64.4-12.3177.954.10000114.4Y99 G128Y99-S126 PolarHBondContact N-OG 2.83Å; Y99-S126 PolarHBondContact O-N 2.82Å; S126-G128 VanDerWaalsContact C-N 3.34Å
127S84.8Confident88.5Confident63 Ų6343.5 Ų43.544%0.44126%0.259SS..THydrogen-bonded Turntrans-88.2-5.617777.70000112.9D125 S129 Q152D125-S127 PolarHBondContact O-N 2.81Å; D125-S127 VanDerWaalsContact O-N 3.14Å; D125-S127 WeakPolarHBondContact OD1-CA 3.49Å; D125-S127 WeakPolarHBondContact OD1-CB 3.01Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 2.76Å; D125-S127 PolarHBondContact OD2-OG 3.01Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; S127-S129 PolarHBondContact OG-OG 3.24Å; S127-S129 VanDerWaalsContact OG-OG 3.08Å; S127-Q152 WeakPolarHBondContact O-CG 3.14Å
128G83.9Confident89.1Confident25 Ų2547.5 Ų47.526%0.25828%0.277SS..SBendtrans86.313.9-175.900000113.6D125 S126D125-G128 PolarHBondContact O-N 2.8Å; D125-G128 VanDerWaalsContact O-N 3.13Å; D125-G128 PolarHBondContact OD1-N 2.84Å; D125-G128 VanDerWaalsContact OD1-N 3.08Å; S126-G128 VanDerWaalsContact C-N 3.34Å
129S89.4Confident89.1Confident14 Ų1451.5 Ų51.510%0.09830%0.301CS..  trans-83.3124.1170.9-48.30000109.3D125 S127 T150D125-S129 PolarHBondContact N-O 2.82Å; D125-S129 WeakPolarHBondContact OD1-CB 3.41Å; D125-S129 PolarHBondContact OD1-N 3.18Å; D125-S129 VanDerWaalsContact OD2-CB 3.26Å; D125-S129 WeakPolarHBondContact OD2-CB 3.22Å; D125-S129 PolarHBondContact OD2-OG 2.84Å; S127-S129 PolarHBondContact OG-OG 3.24Å; S127-S129 VanDerWaalsContact OG-OG 3.08Å; S129-T150 VanDerWaalsContact CA-O 3.22Å; S129-T150 WeakPolarHBondContact CA-O 3.36Å; S129-T150 VanDerWaalsContact CB-O 3.24Å; S129-T150 WeakPolarHBondContact CB-O 3.43Å
130L90.6Very high88.6Confident71 Ų7158.7 Ų58.737%0.37233%0.333SS..EExtended strand (participates in β ladder)trans-109.1128.5179.4177.474000108.9E123 M124 Q149 T150E123-L130 CarbonylContact O-C 3.59Å; E123-L130 WeakPolarHBondContact O-CA 3.3Å; M124-L130 HydrophobicContact CB-CD1 4.19Å; L130-Q149 CarbonylContact O-C 3.58Å; L130-Q149 WeakPolarHBondContact O-CA 3.29Å; L130-T150 VanDerWaalsContact CB-OG1 3.31Å; L130-T150 WeakPolarHBondContact CB-OG1 3.3Å; L130-T150 PolarHBondContact N-O 2.85Å; L130-T150 PolarHBondContact N-OG1 2.78Å; L130-T150 PolarHBondContact O-N 2.86Å
131N92.6Very high88.3Confident31 Ų3160.7 Ų60.717%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-112.7117.6165.1-59.6-51.3000108.8E123 F148 Q149E123-N131 HydrophobicContact CB-CB 4.25Å; E123-N131 PolarHBondContact N-O 2.84Å; E123-N131 PolarHBondContact O-N 2.8Å; N131-F148 CarbonylContact C-O 3.59Å; N131-F148 WeakPolarHBondContact CA-O 3.47Å; N131-Q149 WeakPolarHBondContact OD1-CG 3.5Å
132A92.7Very high88.1Confident28 Ų2860.1 Ų60.123%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-115.1131.3174.400000109.7I121 V147 F148I121-A132 CarbonylContact O-C 3.59Å; I121-A132 WeakPolarHBondContact O-CA 3.43Å; A132-V147 CarbonylContact O-C 3.56Å; A132-V147 WeakPolarHBondContact O-CA 3.29Å; A132-F148 HydrophobicContact CB-CB 4.37Å; A132-F148 PolarHBondContact N-O 2.79Å; A132-F148 PolarHBondContact O-N 2.77Å
133H92Very high87.8Confident51 Ų5159.8 Ų59.824%0.23632%0.324CS..EExtended strand (participates in β ladder)trans-122126.9172.7-54.2-86000108.8I121 T146 V147I121-H133 HydrophobicContact CB-CB 4.24Å; I121-H133 PolarHBondContact N-O 2.79Å; I121-H133 PolarHBondContact O-N 3.21Å; H133-T146 CarbonylContact C-O 3.55Å; H133-T146 WeakPolarHBondContact CA-O 3.4Å; H133-V147 WeakPolarHBondContact CE1-CG1 3.23Å; H133-V147 WeakPolarHBondContact ND1-CG1 3.32Å; H133-V147 VanDerWaalsContact ND1-CG2 3.28Å; H133-V147 WeakPolarHBondContact ND1-CG2 3.38Å
134A90.9Very high87.7Confident16 Ų1658.3 Ų58.313%0.13232%0.319CS..EExtended strand (participates in β ladder)trans-116.8126.1169.500000108.9L120 R145 T146L120-A134 HydrophobicContact CD2-CB 3.47Å; L120-A134 VanDerWaalsContact CD2-CB 3.47Å; A134-R145 CarbonylContact O-C 3.56Å; A134-R145 VanDerWaalsContact O-CA 3.31Å; A134-R145 WeakPolarHBondContact O-CA 3.2Å; A134-T146 WeakPolarHBondContact CB-OG1 3.34Å; A134-T146 PolarHBondContact N-O 2.85Å; A134-T146 PolarHBondContact O-N 3.41Å
135L89.6Confident87.6Confident43 Ų4358.6 Ų58.623%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-109.8118.1170.7-176.670.3000107.8D116 P118 A119 R145D116-L135 HydrophobicContact CB-CD2 4.4Å; P118-L135 CarbonylContact C-O 3.47Å; P118-L135 VanDerWaalsContact CA-O 3.23Å; P118-L135 WeakPolarHBondContact CA-O 3.41Å; P118-L135 WeakPolarHBondContact CB-O 3.49Å; A119-L135 PolarHBondContact N-O 2.87Å; A119-L135 PolarHBondContact O-N 2.82Å; L135-R145 HydrophobicContact CD1-CB 4.12Å; L135-R145 HydrophobicContact CD1-CG 4.4Å
136L87.5Confident87.7Confident71 Ų7158.3 Ų58.337%0.37231%0.314SS..EExtended strand (participates in β ladder)trans-121.5136.5-176.9-59.7174.9000109.6R143 A144L136-R143 WeakPolarHBondContact O-CA 3.38Å; L136-A144 HydrophobicContact CB-CB 4.46Å; L136-A144 PolarHBondContact N-O 2.95Å; L136-A144 PolarHBondContact O-N 2.87Å
137H85.4Confident88Confident45 Ų4555.5 Ų55.521%0.20829%0.293CS..EExtended strand (participates in β ladder)trans-96.9103.8169.6-74.4-176.5000108.6D116 R143D116-H137 PolarHBondContact O-CE1 2.7Å; D116-H137 PolarHBondContact O-NE2 2.84Å; H137-R143 WeakPolarHBondContact NE2-CD 3.39Å; H137-R143 PolarHBondContact NE2-NE 3.41Å
138L80.6Confident88.4Confident108 Ų10855.8 Ų55.857%0.56529%0.287SS*.EExtended strand (participates in β ladder)trans-78.6-32.5179.1-62.4178.8000111.1V142 A144L138-V142 HydrophobicContact CB-CB 4.37Å; L138-V142 HydrophobicContact CB-CG1 4.19Å; L138-V142 HydrophobicContact CD1-CG1 4.16Å; L138-V142 PolarHBondContact N-O 2.85Å; L138-A144 HydrophobicContact CD1-CB 3.79Å; L138-A144 HydrophobicContact CG-CB 4.03Å
139T81.8Confident88.7Confident89 Ų8958.4 Ų58.455%0.54629%0.292SS..EExtended strand (participates in β ladder)trans-155.3167178.5-47.40000108.6R141 V142T139-R141 PolarHBondContact O-N 3.34Å; T139-V142 PolarHBondContact N-O 2.87Å; T139-V142 PolarHBondContact O-N 2.78Å; T139-V142 VanDerWaalsContact O-N 3.09Å; T139-V142 VanDerWaalsContact O-O 3.06Å
140E78.5Confident88.8Confident160 Ų16058.6 Ų58.675%0.74829%0.293SS*.THydrogen-bonded Turntrans-50.6-27176.4-65-174.6169.500114.3
141R83.4Confident88.6Confident132 Ų13260.9 Ų60.950%0.49830%0.301SS..THydrogen-bonded Turntrans-113.3-9.7-178.6-61.8-173.4-173.2-175.91.8114.4T139 Y164 R165T139-R141 PolarHBondContact O-N 3.34Å; R141-Y164 HydrophobicContact CB-CE2 4.2Å; R141-Y164 CarbonylContact O-C 3.55Å; R141-Y164 WeakPolarHBondContact O-CA 3.43Å; R141-R165 WeakPolarHBondContact CB-O 3.26Å; R141-R165 PolarHBondContact O-N 3.04Å
142V86.9Confident88.1Confident33 Ų3366.2 Ų66.220%0.233%0.325CS..EExtended strand (participates in β ladder)trans-117.8121.9-173.5-1760000109.5L138 T139 T162 E163 Y164L138-V142 HydrophobicContact CB-CB 4.37Å; L138-V142 HydrophobicContact CB-CG1 4.19Å; L138-V142 HydrophobicContact CD1-CG1 4.16Å; L138-V142 PolarHBondContact N-O 2.85Å; T139-V142 PolarHBondContact N-O 2.87Å; T139-V142 PolarHBondContact O-N 2.78Å; T139-V142 VanDerWaalsContact O-N 3.09Å; T139-V142 VanDerWaalsContact O-O 3.06Å; V142-T162 HydrophobicContact CG1-CG2 4.05Å; V142-E163 WeakPolarHBondContact CA-O 3.41Å; V142-Y164 HydrophobicContact CG2-CD2 3.84Å; V142-Y164 HydrophobicContact CG2-CE2 4.33Å
143R88.1Confident87.3Confident18 Ų1870.5 Ų70.57%0.06835%0.354CS..EExtended strand (participates in β ladder)trans-118.4136.6177.4-55.4-173.1-177.5-170.62.7109D114 D116 L136 H137 T162 E163D114-R143 IonicContact OD2-CZ 3.16Å; D114-R143 IonicContact OD2-NH2 3.85Å; D114-R143 PolarHBondContact OD2-NH2 2.96Å; D116-R143 IonicContact OD2-CZ 3.08Å; D116-R143 IonicContact OD2-NH1 3.19Å; D116-R143 PolarHBondContact OD2-NH1 2.96Å; L136-R143 WeakPolarHBondContact O-CA 3.38Å; H137-R143 WeakPolarHBondContact NE2-CD 3.39Å; H137-R143 PolarHBondContact NE2-NE 3.41Å; R143-T162 CarbonylContact O-C 3.57Å; R143-T162 WeakPolarHBondContact O-CA 3.32Å; R143-E163 HydrophobicContact CB-CB 4.44Å; R143-E163 PolarHBondContact N-O 3.07Å; R143-E163 PolarHBondContact O-N 2.99Å
144A91.1Very high86.8Confident12 Ų1275.2 Ų75.210%0.09938%0.376CS..EExtended strand (participates in β ladder)trans-114.5133.4172.600000108.5L136 L138 E161L136-A144 HydrophobicContact CB-CB 4.46Å; L136-A144 PolarHBondContact N-O 2.95Å; L136-A144 PolarHBondContact O-N 2.87Å; L138-A144 HydrophobicContact CD1-CB 3.79Å; L138-A144 HydrophobicContact CG-CB 4.03Å; A144-E161 CarbonylContact C-O 3.6Å; A144-E161 WeakPolarHBondContact CA-O 3.46Å
145R91.6Very high86.3Confident109 Ų10982 Ų8241%0.41140%0.403SS..EExtended strand (participates in β ladder)trans-124126.5174.5-175.5-177.6-172.6175.41.8108.5A134 L135 V147 E161A134-R145 CarbonylContact O-C 3.56Å; A134-R145 VanDerWaalsContact O-CA 3.31Å; A134-R145 WeakPolarHBondContact O-CA 3.2Å; L135-R145 HydrophobicContact CD1-CB 4.12Å; L135-R145 HydrophobicContact CD1-CG 4.4Å; R145-V147 HydrophobicContact CG-CG2 4.47Å; R145-E161 HydrophobicContact CB-CB 4.23Å; R145-E161 PolarHBondContact N-O 2.81Å; R145-E161 PolarHBondContact O-N 2.79Å
146T93.5Very high86Confident25 Ų2582.8 Ų82.815%0.15341%0.409CS..EExtended strand (participates in β ladder)trans-120.1134176.869.20000109.8H133 A134 Q159 F160H133-T146 CarbonylContact C-O 3.55Å; H133-T146 WeakPolarHBondContact CA-O 3.4Å; A134-T146 WeakPolarHBondContact CB-OG1 3.34Å; A134-T146 PolarHBondContact N-O 2.85Å; A134-T146 PolarHBondContact O-N 3.41Å; T146-Q159 CarbonylContact C-O 3.56Å; T146-Q159 VanDerWaalsContact CA-O 3.3Å; T146-Q159 WeakPolarHBondContact CA-O 3.47Å; T146-F160 HydrophobicContact CG2-CD1 3.57Å; T146-F160 HydrophobicContact CG2-CE1 4.02Å
147V92.8Very high86Confident22 Ų2280.5 Ų80.513%0.13340%0.398CS..EExtended strand (participates in β ladder)trans-125.3124.4179.3-178.20000109.1A132 H133 R145 W158 Q159A132-V147 CarbonylContact O-C 3.56Å; A132-V147 WeakPolarHBondContact O-CA 3.29Å; H133-V147 WeakPolarHBondContact CE1-CG1 3.23Å; H133-V147 WeakPolarHBondContact ND1-CG1 3.32Å; H133-V147 VanDerWaalsContact ND1-CG2 3.28Å; H133-V147 WeakPolarHBondContact ND1-CG2 3.38Å; R145-V147 HydrophobicContact CG-CG2 4.47Å; V147-W158 CarbonylContact O-C 3.5Å; V147-W158 VanDerWaalsContact O-CA 3.31Å; V147-W158 WeakPolarHBondContact O-CA 3.42Å; V147-Q159 HydrophobicContact CB-CB 4.3Å; V147-Q159 PolarHBondContact N-O 3.3Å; V147-Q159 PolarHBondContact O-N 3.17Å
148F92.8Very high86.2Confident69 Ų6983.4 Ų83.430%0.30341%0.408SS..EExtended strand (participates in β ladder)trans-118.7129.6174.1-62.5-83.3000109.3N131 A132 W158 F160N131-F148 CarbonylContact C-O 3.59Å; N131-F148 WeakPolarHBondContact CA-O 3.47Å; A132-F148 HydrophobicContact CB-CB 4.37Å; A132-F148 PolarHBondContact N-O 2.79Å; A132-F148 PolarHBondContact O-N 2.77Å; F148-W158 HydrophobicContact CD1-CB 3.79Å; F148-W158 HydrophobicContact CE1-CB 3.98Å; F148-F160 HydrophobicContact CE1-CE1 4.31Å; F148-F160 AromaticContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE2-CE1 4.49Å; F148-F160 AromaticContact CZ-CE1 3.68Å; F148-F160 HydrophobicContact CZ-CE1 3.68Å; F148-F160 AromaticContact CZ-CZ 3.64Å; F148-F160 HydrophobicContact CZ-CZ 3.64Å
149Q91.5Very high86.8Confident79 Ų7981.8 Ų81.837%0.36940%0.397SS..EExtended strand (participates in β ladder)trans-128.8120.2176.9175.616720.600109.4L130 N131 V156 T157L130-Q149 CarbonylContact O-C 3.58Å; L130-Q149 WeakPolarHBondContact O-CA 3.29Å; N131-Q149 WeakPolarHBondContact OD1-CG 3.5Å; Q149-V156 PolarHBondContact O-N 2.85Å; Q149-T157 PolarHBondContact N-O 2.87Å; Q149-T157 PolarHBondContact O-N 3.26Å; Q149-T157 VanDerWaalsContact O-N 3.12Å
150T90.2Very high87.4Confident18 Ų1881 Ų8111%0.1139%0.386CS..EExtended strand (participates in β ladder)trans-106.1146.5169.574.80000109.3S129 L130 Q154 F155S129-T150 VanDerWaalsContact CA-O 3.22Å; S129-T150 WeakPolarHBondContact CA-O 3.36Å; S129-T150 VanDerWaalsContact CB-O 3.24Å; S129-T150 WeakPolarHBondContact CB-O 3.43Å; L130-T150 VanDerWaalsContact CB-OG1 3.31Å; L130-T150 WeakPolarHBondContact CB-OG1 3.3Å; L130-T150 PolarHBondContact N-O 2.85Å; L130-T150 PolarHBondContact N-OG1 2.78Å; L130-T150 PolarHBondContact O-N 2.86Å; T150-Q154 CarbonylContact C-O 3.56Å; T150-Q154 WeakPolarHBondContact CA-O 3.14Å; T150-F155 HydrophobicContact CG2-CD1 3.63Å; T150-F155 HydrophobicContact CG2-CE1 3.6Å; T150-F155 HydrophobicContact CG2-CG 4.29Å; T150-F155 HydrophobicContact CG2-CZ 4.23Å
151Q86.1Confident88.1Confident119 Ų11974.6 Ų74.656%0.55636%0.356SS*.EExtended strand (participates in β ladder)trans-119.7110.3166.8-171.3175.518.200106.7S153 Q154 V156Q151-S153 PolarHBondContact O-N 3.14Å; Q151-Q154 PolarHBondContact N-O 2.84Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q151-V156 HydrophobicContact CB-CG2 3.46Å; Q151-V156 VanDerWaalsContact CB-CG2 3.46Å
152Q82.9Confident88.7Confident143 Ų14371.6 Ų71.667%0.66835%0.353SS*.THydrogen-bonded Turntrans52.5-109.1-172.9-58.8176-15.200111.8S127S127-Q152 WeakPolarHBondContact O-CG 3.14Å
153S76.1Confident88.9Confident119 Ų11970.9 Ų70.983%0.83235%0.347SS*.THydrogen-bonded Turntrans-96.9-3-175.7-1630000113.7Q151Q151-S153 PolarHBondContact O-N 3.14Å
154Q82.4Confident89.1Confident150 Ų15074 Ų7470%0.70136%0.359SS*.EExtended strand (participates in β ladder)trans-114.3136.8-175.1-64.9-171.9-6.600112T150 Q151 V156T150-Q154 CarbonylContact C-O 3.56Å; T150-Q154 WeakPolarHBondContact CA-O 3.14Å; Q151-Q154 PolarHBondContact N-O 2.84Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q154-V156 PolarHBondContact O-N 2.78Å
155F79.2Confident89Confident158 Ų15876 Ų7669%0.69336%0.364SS*.EExtended strand (participates in β ladder)trans-75.6113.8167.6-71.7-88.5000108.5T150T150-F155 HydrophobicContact CG2-CD1 3.63Å; T150-F155 HydrophobicContact CG2-CE1 3.6Å; T150-F155 HydrophobicContact CG2-CG 4.29Å; T150-F155 HydrophobicContact CG2-CZ 4.23Å
156V84.3Confident88.8Confident60 Ų6071.1 Ų71.136%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-93-45.5-177.9-179.10000110.1Q149 Q151 Q154 N177Q149-V156 PolarHBondContact O-N 2.85Å; Q151-V156 HydrophobicContact CB-CG2 3.46Å; Q151-V156 VanDerWaalsContact CB-CG2 3.46Å; Q154-V156 PolarHBondContact O-N 2.78Å; V156-N177 PolarHBondContact O-ND2 3.15Å
157T86.9Confident88.4Confident22 Ų2273.3 Ų73.314%0.13537%0.365CS..EExtended strand (participates in β ladder)trans-139134.8-174.9-39.90000111.6Q149 Q159 N177Q149-T157 PolarHBondContact N-O 2.87Å; Q149-T157 PolarHBondContact O-N 3.26Å; Q149-T157 VanDerWaalsContact O-N 3.12Å; T157-Q159 HydrophobicContact CG2-CG 3.64Å; T157-N177 VanDerWaalsContact CA-OD1 3.23Å; T157-N177 WeakPolarHBondContact CA-OD1 3.28Å; T157-N177 WeakPolarHBondContact CG2-OD1 3.38Å
158W89.8Confident88.2Confident107 Ų10774.6 Ų74.641%0.40537%0.371SS..EExtended strand (participates in β ladder)trans-139.7117.1171.153.6-36.1000107.7V147 F148 F160 N177 P178V147-W158 CarbonylContact O-C 3.5Å; V147-W158 VanDerWaalsContact O-CA 3.31Å; V147-W158 WeakPolarHBondContact O-CA 3.42Å; F148-W158 HydrophobicContact CD1-CB 3.79Å; F148-W158 HydrophobicContact CE1-CB 3.98Å; W158-F160 HydrophobicContact CD2-CE2 4.38Å; W158-F160 AromaticContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CZ 4.16Å; W158-N177 PolarHBondContact N-OD1 2.8Å; W158-N177 PolarHBondContact O-N 3.34Å; W158-N177 PolarHBondContact O-OD1 3.04Å; W158-P178 HydrophobicContact CH2-CG 4.44Å; W158-P178 HydrophobicContact CZ2-CG 4.15Å; W158-P178 WeakPolarHBondContact CZ2-O 3.41Å
159Q93.2Very high88.1Confident73 Ų7374 Ų7434%0.34137%0.368SS..EExtended strand (participates in β ladder)trans-125134-174.1-51.2-174-18.600109.8T146 V147 T157 T174 V175 A176T146-Q159 CarbonylContact C-O 3.56Å; T146-Q159 VanDerWaalsContact CA-O 3.3Å; T146-Q159 WeakPolarHBondContact CA-O 3.47Å; V147-Q159 HydrophobicContact CB-CB 4.3Å; V147-Q159 PolarHBondContact N-O 3.3Å; V147-Q159 PolarHBondContact O-N 3.17Å; T157-Q159 HydrophobicContact CG2-CG 3.64Å; Q159-T174 HydrophobicContact CB-CG2 4.49Å; Q159-V175 CarbonylContact C-O 3.44Å; Q159-V175 VanDerWaalsContact CA-O 3.31Å; Q159-V175 WeakPolarHBondContact CA-O 3.38Å; Q159-A176 HydrophobicContact CB-CB 4.47Å; Q159-A176 HydrophobicContact CG-CB 3.86Å
160F94.4Very high88.2Confident74 Ų7470.5 Ų70.533%0.32535%0.352SS..EExtended strand (participates in β ladder)trans-122.6109.1176.3-59.1-84.6000108T146 F148 W158 T174 V175T146-F160 HydrophobicContact CG2-CD1 3.57Å; T146-F160 HydrophobicContact CG2-CE1 4.02Å; F148-F160 HydrophobicContact CE1-CE1 4.31Å; F148-F160 AromaticContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE1-CZ 3.8Å; F148-F160 HydrophobicContact CE2-CE1 4.49Å; F148-F160 AromaticContact CZ-CE1 3.68Å; F148-F160 HydrophobicContact CZ-CE1 3.68Å; F148-F160 AromaticContact CZ-CZ 3.64Å; F148-F160 HydrophobicContact CZ-CZ 3.64Å; W158-F160 HydrophobicContact CD2-CE2 4.38Å; W158-F160 AromaticContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CE2 3.82Å; W158-F160 HydrophobicContact CE3-CZ 4.16Å; F160-T174 CarbonylContact O-C 3.54Å; F160-T174 WeakPolarHBondContact O-CA 3.36Å; F160-V175 PolarHBondContact N-O 2.89Å; F160-V175 PolarHBondContact O-N 3.18Å
161E94Very high88.4Confident25 Ų2571 Ų7112%0.11736%0.358CS..EExtended strand (participates in β ladder)trans-106.8131.4177.3175.7177.9-166.500109A144 R145 V173 T174A144-E161 CarbonylContact C-O 3.6Å; A144-E161 WeakPolarHBondContact CA-O 3.46Å; R145-E161 HydrophobicContact CB-CB 4.23Å; R145-E161 PolarHBondContact N-O 2.81Å; R145-E161 PolarHBondContact O-N 2.79Å; E161-V173 CarbonylContact C-O 3.58Å; E161-V173 WeakPolarHBondContact CA-O 3.25Å; E161-T174 HydrophobicContact CB-CG2 4.2Å; E161-T174 WeakPolarHBondContact CB-OG1 3.25Å; E161-T174 WeakPolarHBondContact CG-OG1 3.28Å
162T94.1Very high88.8Confident69 Ų6965.7 Ų65.742%0.42334%0.335SS..EExtended strand (participates in β ladder)trans-121.3117.2171.6-560000108.5V142 R143 A172 V173V142-T162 HydrophobicContact CG1-CG2 4.05Å; R143-T162 CarbonylContact O-C 3.57Å; R143-T162 WeakPolarHBondContact O-CA 3.32Å; T162-A172 CarbonylContact O-C 3.45Å; T162-A172 VanDerWaalsContact O-CA 3.29Å; T162-A172 WeakPolarHBondContact O-CA 3.43Å; T162-V173 PolarHBondContact N-O 2.9Å; T162-V173 PolarHBondContact O-N 3.21Å
163E92.8Very high89.5Confident17 Ų1762.5 Ų62.58%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-109125.1-178.8-174.2-175.4-169.700109.9S52 V142 R143 R165 T170 A171 A172S52-E163 WeakPolarHBondContact CB-OE1 3.44Å; V142-E163 WeakPolarHBondContact CA-O 3.41Å; R143-E163 HydrophobicContact CB-CB 4.44Å; R143-E163 PolarHBondContact N-O 3.07Å; R143-E163 PolarHBondContact O-N 2.99Å; E163-R165 HydrophobicContact CG-CG 4.17Å; E163-R165 IonicContact OE1-CZ 3.99Å; E163-R165 IonicContact OE1-NE 3.33Å; E163-R165 PolarHBondContact OE1-NE 2.85Å; E163-R165 IonicContact OE1-NH2 3.76Å; E163-R165 PolarHBondContact OE1-NH2 3.41Å; E163-R165 IonicContact OE2-CZ 3.02Å; E163-R165 IonicContact OE2-NE 2.65Å; E163-R165 PolarHBondContact OE2-NE 3.26Å; E163-R165 IonicContact OE2-NH2 3.04Å; E163-R165 PolarHBondContact OE2-NH2 2.65Å; E163-T170 HydrophobicContact CG-CG2 3.88Å; E163-T170 WeakPolarHBondContact OE1-CG2 3.37Å; E163-A171 CarbonylContact C-O 3.52Å; E163-A171 WeakPolarHBondContact CA-O 3.45Å; E163-A172 HydrophobicContact CB-CB 4.25Å; E163-A172 HydrophobicContact CG-CB 4.25Å
164Y92.1Very high90.4Very high84 Ų8457.4 Ų57.433%0.32929%0.289SS..EExtended strand (participates in β ladder)trans-104.6116.1170.7-177.9-86.6000109.6R141 V142 F169 T170 A171R141-Y164 HydrophobicContact CB-CE2 4.2Å; R141-Y164 CarbonylContact O-C 3.55Å; R141-Y164 WeakPolarHBondContact O-CA 3.43Å; V142-Y164 HydrophobicContact CG2-CD2 3.84Å; V142-Y164 HydrophobicContact CG2-CE2 4.33Å; Y164-F169 AromaticContact CD1-CE2 3.62Å; Y164-F169 HydrophobicContact CD1-CE2 3.62Å; Y164-F169 AromaticContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CE1-CE1 4.41Å; Y164-F169 AromaticContact CE1-CE2 3.7Å; Y164-F169 HydrophobicContact CE1-CE2 3.7Å; Y164-F169 AromaticContact CE1-CZ 3.47Å; Y164-F169 HydrophobicContact CE1-CZ 3.47Å; Y164-F169 VanDerWaalsContact CE1-CZ 3.47Å; Y164-T170 WeakPolarHBondContact O-CA 3.43Å; Y164-A171 PolarHBondContact N-O 3.3Å; Y164-A171 PolarHBondContact O-N 3.31Å
165R89.2Confident90.9Very high53 Ų5352.2 Ų52.220%0.227%0.267CS..EExtended strand (participates in β ladder)trans-101.8105.2175.9-68.4-168.7-175.7163.714.8110.4D116 R141 E163 T170D116-R165 IonicContact OD2-NH1 3.91Å; D116-R165 PolarHBondContact OD2-NH1 3.11Å; R141-R165 WeakPolarHBondContact CB-O 3.26Å; R141-R165 PolarHBondContact O-N 3.04Å; E163-R165 HydrophobicContact CG-CG 4.17Å; E163-R165 IonicContact OE1-CZ 3.99Å; E163-R165 IonicContact OE1-NE 3.33Å; E163-R165 PolarHBondContact OE1-NE 2.85Å; E163-R165 IonicContact OE1-NH2 3.76Å; E163-R165 PolarHBondContact OE1-NH2 3.41Å; E163-R165 IonicContact OE2-CZ 3.02Å; E163-R165 IonicContact OE2-NE 2.65Å; E163-R165 PolarHBondContact OE2-NE 3.26Å; E163-R165 IonicContact OE2-NH2 3.04Å; E163-R165 PolarHBondContact OE2-NH2 2.65Å; R165-T170 HydrophobicContact CG-CG2 4.09Å
166G87Confident91.6Very high8 Ų845 Ų458%0.08224%0.237CC..  trans-79.6-172.6169.800000112.4N49 F169N49-G166 PolarHBondContact ND2-O 2.95Å; G166-F169 VanDerWaalsContact CA-O 3.28Å; G166-F169 WeakPolarHBondContact CA-O 3.19Å; G166-F169 PolarHBondContact N-O 3.12Å
167S85.6Confident91.8Very high70 Ų7044.5 Ų44.549%0.4923%0.232SC..SBendtrans-69.8-41.9174.436.30000112.8P48 N49P48-S167 CarbonylContact C-O 3.56Å; N49-S167 WeakPolarHBondContact CA-O 3.43Å; N49-S167 PolarHBondContact N-O 2.8Å; N49-S167 VanDerWaalsContact N-O 3.14Å
168D88.6Confident91.8Very high49 Ų4945.1 Ų45.126%0.26224%0.236SC..SBendtrans-128.4-6.2-16756.8-37.7000112.4L47 S194L47-D168 HydrophobicContact CB-CB 4.27Å; D168-S194 PolarHBondContact O-N 2.83Å
169F90.8Very high91.6Very high57 Ų5742.3 Ų42.325%0.2523%0.229CC..EExtended strand (participates in β ladder)trans-138.1159.4177.174.3-86.9000112Y164 G166 F191 L192 Q193Y164-F169 AromaticContact CD1-CE2 3.62Å; Y164-F169 HydrophobicContact CD1-CE2 3.62Å; Y164-F169 AromaticContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CD1-CZ 3.92Å; Y164-F169 HydrophobicContact CE1-CE1 4.41Å; Y164-F169 AromaticContact CE1-CE2 3.7Å; Y164-F169 HydrophobicContact CE1-CE2 3.7Å; Y164-F169 AromaticContact CE1-CZ 3.47Å; Y164-F169 HydrophobicContact CE1-CZ 3.47Å; Y164-F169 VanDerWaalsContact CE1-CZ 3.47Å; G166-F169 VanDerWaalsContact CA-O 3.28Å; G166-F169 WeakPolarHBondContact CA-O 3.19Å; G166-F169 PolarHBondContact N-O 3.12Å; F169-F191 HydrophobicContact CB-CE2 4.24Å; F169-F191 HydrophobicContact CB-CZ 4.09Å; F169-F191 AromaticContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CZ 4.28Å; F169-F191 HydrophobicContact CE2-CE2 4.36Å; F169-F191 HydrophobicContact CG-CE2 4.2Å; F169-F191 HydrophobicContact CG-CZ 4.36Å; F169-L192 CarbonylContact C-O 3.55Å; F169-L192 WeakPolarHBondContact CA-O 3.07Å; F169-L192 VanDerWaalsContact CB-O 3.32Å; F169-L192 WeakPolarHBondContact CB-O 3.45Å; F169-Q193 HydrophobicContact CB-CB 4.29Å; F169-Q193 HydrophobicContact CB-CG 4.32Å
170T93Very high91.1Very high5 Ų546.5 Ų46.53%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-133.9128.6172.2-61.50000108.5N49 G51 E163 Y164 R165 L192N49-T170 PolarHBondContact ND2-OG1 2.82Å; N49-T170 PolarHBondContact OD1-OG1 2.82Å; G51-T170 VanDerWaalsContact O-CB 3.26Å; G51-T170 WeakPolarHBondContact O-CB 3.43Å; G51-T170 WeakPolarHBondContact O-CG2 3.17Å; G51-T170 PolarHBondContact O-OG1 3.09Å; G51-T170 VanDerWaalsContact O-OG1 3.07Å; E163-T170 HydrophobicContact CG-CG2 3.88Å; E163-T170 WeakPolarHBondContact OE1-CG2 3.37Å; Y164-T170 WeakPolarHBondContact O-CA 3.43Å; R165-T170 HydrophobicContact CG-CG2 4.09Å; T170-L192 PolarHBondContact N-O 3Å; T170-L192 PolarHBondContact O-N 2.91Å
171A94.8Very high90.5Very high29 Ų2950.9 Ų50.924%0.2428%0.278CS..EExtended strand (participates in β ladder)trans-119.5137.5174.800000109E163 Y164 H190 F191E163-A171 CarbonylContact C-O 3.52Å; E163-A171 WeakPolarHBondContact CA-O 3.45Å; Y164-A171 PolarHBondContact N-O 3.3Å; Y164-A171 PolarHBondContact O-N 3.31Å; A171-H190 CarbonylContact C-O 3.42Å; A171-H190 WeakPolarHBondContact CA-O 3.41Å; A171-F191 HydrophobicContact CB-CD2 4.01Å
172A94.6Very high89.8Confident7 Ų758 Ų586%0.05830%0.304CS..EExtended strand (participates in β ladder)trans-136.6141.7175.900000110.4T162 E163 A189 H190T162-A172 CarbonylContact O-C 3.45Å; T162-A172 VanDerWaalsContact O-CA 3.29Å; T162-A172 WeakPolarHBondContact O-CA 3.43Å; E163-A172 HydrophobicContact CB-CB 4.25Å; E163-A172 HydrophobicContact CG-CB 4.25Å; A172-A189 CarbonylContact O-C 3.48Å; A172-A189 WeakPolarHBondContact O-CA 3.31Å; A172-H190 HydrophobicContact CB-CB 4.38Å; A172-H190 PolarHBondContact N-O 2.82Å; A172-H190 PolarHBondContact O-N 2.78Å
173V96.1Very high89.4Confident76 Ų7660.5 Ų60.546%0.46131%0.311SS..EExtended strand (participates in β ladder)trans-126.3123.8174.1179.20000108.5E161 T162 V188E161-V173 CarbonylContact C-O 3.58Å; E161-V173 WeakPolarHBondContact CA-O 3.25Å; T162-V173 PolarHBondContact N-O 2.9Å; T162-V173 PolarHBondContact O-N 3.21Å; V173-V188 CarbonylContact C-O 3.5Å; V173-V188 WeakPolarHBondContact CA-O 3.26Å
174T94.9Very high89Confident12 Ų1261.4 Ų61.47%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-116123.2178.5-55.70000109.7Q159 F160 E161 L187 V188Q159-T174 HydrophobicContact CB-CG2 4.49Å; F160-T174 CarbonylContact O-C 3.54Å; F160-T174 WeakPolarHBondContact O-CA 3.36Å; E161-T174 HydrophobicContact CB-CG2 4.2Å; E161-T174 WeakPolarHBondContact CB-OG1 3.25Å; E161-T174 WeakPolarHBondContact CG-OG1 3.28Å; T174-L187 CarbonylContact O-C 3.59Å; T174-L187 WeakPolarHBondContact O-CA 3.3Å; T174-V188 PolarHBondContact N-O 3.16Å; T174-V188 PolarHBondContact O-N 2.78Å
175V94.8Very high88.9Confident42 Ų4259 Ų5926%0.25531%0.313SS..EExtended strand (participates in β ladder)trans-103.4119.7170.7-172.70000107.4Q159 F160 P178 V185 L187Q159-V175 CarbonylContact C-O 3.44Å; Q159-V175 VanDerWaalsContact CA-O 3.31Å; Q159-V175 WeakPolarHBondContact CA-O 3.38Å; F160-V175 PolarHBondContact N-O 2.89Å; F160-V175 PolarHBondContact O-N 3.18Å; V175-P178 HydrophobicContact CG1-CB 4.15Å; V175-P178 HydrophobicContact CG1-CG 4.13Å; V175-V185 HydrophobicContact CG1-CG2 3.96Å; V175-L187 HydrophobicContact CB-CD2 4.16Å; V175-L187 HydrophobicContact CG1-CD2 3.97Å; V175-L187 HydrophobicContact CG2-CD2 3.66Å
176A92.1Very high89Confident6 Ų659.7 Ų59.75%0.0532%0.32CS..EExtended strand (participates in β ladder)trans-120.5133.7178.900000110.7Q159 I186Q159-A176 HydrophobicContact CB-CB 4.47Å; Q159-A176 HydrophobicContact CG-CB 3.86Å; A176-I186 HydrophobicContact CB-CB 4.14Å; A176-I186 HydrophobicContact CB-CG2 4.47Å; A176-I186 PolarHBondContact N-O 3.38Å; A176-I186 PolarHBondContact O-N 2.83Å
177N89.9Confident89.4Confident50 Ų5062.3 Ų62.327%0.26733%0.332SS..EExtended strand (participates in β ladder)trans49.952.9175.3-61.8-5.7000115.1V156 T157 W158 D179V156-N177 PolarHBondContact O-ND2 3.15Å; T157-N177 VanDerWaalsContact CA-OD1 3.23Å; T157-N177 WeakPolarHBondContact CA-OD1 3.28Å; T157-N177 WeakPolarHBondContact CG2-OD1 3.38Å; W158-N177 PolarHBondContact N-OD1 2.8Å; W158-N177 PolarHBondContact O-N 3.34Å; W158-N177 PolarHBondContact O-OD1 3.04Å; N177-D179 PolarHBondContact O-N 2.98Å
178P86.5Confident89.8Confident34 Ų3460 Ų6022%0.22131%0.314CS..EExtended strand (participates in β ladder)trans-70.9114.9176.630.4-33.7000110.7W158 V175 V185W158-P178 HydrophobicContact CH2-CG 4.44Å; W158-P178 HydrophobicContact CZ2-CG 4.15Å; W158-P178 WeakPolarHBondContact CZ2-O 3.41Å; V175-P178 HydrophobicContact CG1-CB 4.15Å; V175-P178 HydrophobicContact CG1-CG 4.13Å; P178-V185 HydrophobicContact CB-CG2 4.18Å
179D84.9Confident90.1Very high49 Ų4959.6 Ų59.626%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-117.6106.7172.9-171.9-18.8000109.5N177 L181 R182 E183 S184N177-D179 PolarHBondContact O-N 2.98Å; D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; D179-L181 WeakPolarHBondContact OD1-CB 3.35Å; D179-L181 PolarHBondContact OD1-N 3.46Å; D179-R182 HydrophobicContact CB-CB 4.17Å; D179-R182 PolarHBondContact OD1-N 2.98Å; D179-R182 VanDerWaalsContact OD1-N 3.15Å; D179-R182 WeakPolarHBondContact OD2-CD 3.36Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-NE 3.13Å; D179-E183 WeakPolarHBondContact O-CA 3.36Å; D179-E183 PolarHBondContact O-N 2.87Å; D179-S184 WeakPolarHBondContact CB-OG 3.49Å; D179-S184 PolarHBondContact N-O 2.77Å; D179-S184 PolarHBondContact O-N 2.84Å; D179-S184 VanDerWaalsContact O-N 3.07Å
180I82.6Confident90.3Very high160 Ų16057.4 Ų57.482%0.82131%0.309SS*.THydrogen-bonded Turntrans-66.4-33.8-179.2-58.3171.8000110.8
181L83.1Confident90.4Very high167 Ų16761.6 Ų61.687%0.87433%0.327SS*.THydrogen-bonded Turntrans-76.5-34-177-64.5173.4000111.8D179D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; D179-L181 WeakPolarHBondContact OD1-CB 3.35Å; D179-L181 PolarHBondContact OD1-N 3.46Å
182R79.3Confident90.4Very high174 Ų17460.3 Ų60.366%0.65732%0.316SS*.THydrogen-bonded Turntrans-95.10.9178.8-62.6-175.3-178.9171.1-1.5113.5D179 S184D179-R182 HydrophobicContact CB-CB 4.17Å; D179-R182 PolarHBondContact OD1-N 2.98Å; D179-R182 VanDerWaalsContact OD1-N 3.15Å; D179-R182 WeakPolarHBondContact OD2-CD 3.36Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-NE 3.13Å; R182-S184 PolarHBondContact O-N 3.3Å
183E84.8Confident90.4Very high122 Ų12263.9 Ų63.957%0.5733%0.331SS*.THydrogen-bonded Turntrans47.338-172.7-62.1-171.3-172.500113.1D179 R209D179-E183 WeakPolarHBondContact O-CA 3.36Å; D179-E183 PolarHBondContact O-N 2.87Å; E183-R209 IonicContact OE2-NH2 3.24Å; E183-R209 PolarHBondContact OE2-NH2 2.8Å; E183-R209 VanDerWaalsContact OE2-NH2 3.13Å
184S84.9Confident90.2Very high36 Ų3660.4 Ų60.425%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-108.8131.4-179.967.70000111.4D179 R182 R209D179-S184 WeakPolarHBondContact CB-OG 3.49Å; D179-S184 PolarHBondContact N-O 2.77Å; D179-S184 PolarHBondContact O-N 2.84Å; D179-S184 VanDerWaalsContact O-N 3.07Å; R182-S184 PolarHBondContact O-N 3.3Å; S184-R209 CarbonylContact C-O 3.55Å; S184-R209 WeakPolarHBondContact CA-O 3.32Å
185V89.8Confident90Very high33 Ų3363.8 Ų63.820%0.233%0.331CS..EExtended strand (participates in β ladder)trans-151.8143.4175.366.50000110.3V175 P178 L187 R209V175-V185 HydrophobicContact CG1-CG2 3.96Å; P178-V185 HydrophobicContact CB-CG2 4.18Å; V185-L187 HydrophobicContact CG1-CG 4.46Å; V185-L187 HydrophobicContact CG2-CD2 4.02Å; V185-L187 HydrophobicContact CG2-CG 4.06Å; V185-R209 HydrophobicContact CG1-CB 4.36Å; V185-R209 PolarHBondContact N-O 2.79Å; V185-R209 PolarHBondContact O-N 2.87Å
186I91.8Very high89.8Confident67 Ų6763.8 Ų63.834%0.34433%0.333SS..EExtended strand (participates in β ladder)trans-110.7120.9167.2-59.3167.7000107A176 V188 Y207 H208A176-I186 HydrophobicContact CB-CB 4.14Å; A176-I186 HydrophobicContact CB-CG2 4.47Å; A176-I186 PolarHBondContact N-O 3.38Å; A176-I186 PolarHBondContact O-N 2.83Å; I186-V188 HydrophobicContact CG2-CG2 4.14Å; I186-Y207 WeakPolarHBondContact CA-O 3.38Å; I186-H208 HydrophobicContact CG1-CB 4.14Å
187L93.9Very high89.3Confident63 Ų6365.3 Ų65.333%0.3334%0.343SS..EExtended strand (participates in β ladder)trans-113.1126.1173.9-64.7174.9000108T174 V175 V185 Y207T174-L187 CarbonylContact O-C 3.59Å; T174-L187 WeakPolarHBondContact O-CA 3.3Å; V175-L187 HydrophobicContact CB-CD2 4.16Å; V175-L187 HydrophobicContact CG1-CD2 3.97Å; V175-L187 HydrophobicContact CG2-CD2 3.66Å; V185-L187 HydrophobicContact CG1-CG 4.46Å; V185-L187 HydrophobicContact CG2-CD2 4.02Å; V185-L187 HydrophobicContact CG2-CG 4.06Å; L187-Y207 HydrophobicContact CB-CD1 4.44Å; L187-Y207 HydrophobicContact CD1-CD1 4.18Å; L187-Y207 PolarHBondContact N-O 2.96Å; L187-Y207 PolarHBondContact O-N 2.79Å; L187-Y207 VanDerWaalsContact O-O 3.14Å
188V94.9Very high89.1Confident21 Ų2163.3 Ų63.313%0.12734%0.335CS..EExtended strand (participates in β ladder)trans-119.1124172.5-168.90000108.1V173 T174 I186 H190 E204 L205 V206V173-V188 CarbonylContact C-O 3.5Å; V173-V188 WeakPolarHBondContact CA-O 3.26Å; T174-V188 PolarHBondContact N-O 3.16Å; T174-V188 PolarHBondContact O-N 2.78Å; I186-V188 HydrophobicContact CG2-CG2 4.14Å; V188-H190 WeakPolarHBondContact CG1-CE1 3.31Å; V188-H190 WeakPolarHBondContact CG1-NE2 3.39Å; V188-E204 HydrophobicContact CG1-CG 3.83Å; V188-E204 WeakPolarHBondContact CG1-OE1 3.13Å; V188-L205 CarbonylContact C-O 3.58Å; V188-L205 WeakPolarHBondContact CA-O 3.4Å; V188-V206 HydrophobicContact CG1-CG2 3.99Å; V188-V206 HydrophobicContact CG2-CG1 4.32Å; V188-V206 HydrophobicContact CG2-CG2 4.29Å
189A95.6Very high89.4Confident41 Ų4164.2 Ų64.234%0.33934%0.337SS..EExtended strand (participates in β ladder)trans-117.7125.9175.500000109.2A172 E204 L205A172-A189 CarbonylContact O-C 3.48Å; A172-A189 WeakPolarHBondContact O-CA 3.31Å; A189-E204 CarbonylContact O-C 3.56Å; A189-E204 WeakPolarHBondContact O-CA 3.47Å; A189-L205 PolarHBondContact N-O 3Å; A189-L205 PolarHBondContact O-N 3.36Å
190H94.9Very high89.8Confident12 Ų1262.5 Ų62.56%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-115.4141.5176.6-49.4-91.8000109.9F53 A171 A172 V188 G203 E204F53-H190 HydrophobicContact CB-CB 3.93Å; F53-H190 AromaticContact CD1-CE1 3.66Å; F53-H190 AromaticContact CD1-ND1 3.29Å; F53-H190 VanDerWaalsContact CD1-ND1 3.29Å; F53-H190 WeakPolarHBondContact CD1-ND1 3.32Å; F53-H190 HydrophobicContact CD2-CB 4.26Å; F53-H190 AromaticContact CD2-ND1 3.91Å; F53-H190 AromaticContact CE1-ND1 3.76Å; F53-H190 HydrophobicContact CG-CB 4.14Å; F53-H190 AromaticContact CG-CG 3.98Å; F53-H190 AromaticContact CG-ND1 3.37Å; F53-H190 WeakPolarHBondContact CG-ND1 3.27Å; A171-H190 CarbonylContact C-O 3.42Å; A171-H190 WeakPolarHBondContact CA-O 3.41Å; A172-H190 HydrophobicContact CB-CB 4.38Å; A172-H190 PolarHBondContact N-O 2.82Å; A172-H190 PolarHBondContact O-N 2.78Å; V188-H190 WeakPolarHBondContact CG1-CE1 3.31Å; V188-H190 WeakPolarHBondContact CG1-NE2 3.39Å; H190-G203 WeakPolarHBondContact CA-O 3.42Å; H190-E204 VanDerWaalsContact CE1-CD 3.44Å; H190-E204 IonicContact CE1-OE1 2.67Å; H190-E204 PolarHBondContact CE1-OE1 3.02Å; H190-E204 WeakPolarHBondContact ND1-CG 3.46Å; H190-E204 IonicContact ND1-OE1 3.78Å
191F95.3Very high90.5Very high92 Ų9258.7 Ų58.740%0.40431%0.309SS..EExtended strand (participates in β ladder)trans-139.1127.1171.1-175.3-97.5000109.2F169 A171 Q193 G202 G203F169-F191 HydrophobicContact CB-CE2 4.24Å; F169-F191 HydrophobicContact CB-CZ 4.09Å; F169-F191 AromaticContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CE2 3.67Å; F169-F191 HydrophobicContact CD2-CZ 4.28Å; F169-F191 HydrophobicContact CE2-CE2 4.36Å; F169-F191 HydrophobicContact CG-CE2 4.2Å; F169-F191 HydrophobicContact CG-CZ 4.36Å; A171-F191 HydrophobicContact CB-CD2 4.01Å; F191-Q193 HydrophobicContact CE1-CB 3.94Å; F191-Q193 HydrophobicContact CZ-CB 4.39Å; F191-G202 CarbonylContact O-C 3.55Å; F191-G202 WeakPolarHBondContact O-CA 3.35Å; F191-G203 PolarHBondContact N-O 3.26Å; F191-G203 PolarHBondContact O-N 2.91Å
192L94.6Very high91Very high3 Ų351.7 Ų51.72%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-128.8138.6174.8-74.7169.5000109.7P50 F53 L56 F169 T170 V200 A221P50-L192 HydrophobicContact CB-CB 4.32Å; P50-L192 HydrophobicContact CG-CB 3.95Å; F53-L192 HydrophobicContact CB-CD1 4Å; F53-L192 HydrophobicContact CD2-CD1 4Å; F53-L192 HydrophobicContact CD2-CD2 4.17Å; F53-L192 HydrophobicContact CD2-CG 4.03Å; F53-L192 HydrophobicContact CG-CD1 4.44Å; L56-L192 HydrophobicContact CD1-CD1 4.24Å; L56-L192 HydrophobicContact CD1-CD2 4.17Å; L56-L192 HydrophobicContact CD2-CD1 4.2Å; L56-L192 HydrophobicContact CD2-CD2 4.42Å; L56-L192 HydrophobicContact CG-CD1 4.29Å; F169-L192 CarbonylContact C-O 3.55Å; F169-L192 WeakPolarHBondContact CA-O 3.07Å; F169-L192 VanDerWaalsContact CB-O 3.32Å; F169-L192 WeakPolarHBondContact CB-O 3.45Å; T170-L192 PolarHBondContact N-O 3Å; T170-L192 PolarHBondContact O-N 2.91Å; L192-V200 HydrophobicContact CB-CG1 4.21Å; L192-V200 HydrophobicContact CD2-CG1 3.9Å; L192-A221 HydrophobicContact CD2-CB 4.4Å
193Q93.6Very high91.8Very high81 Ų8144.1 Ų44.138%0.37925%0.253SS..EExtended strand (participates in β ladder)trans-135.1132.2178.2-174.1173.94.500110.1F169 F191 V195 V200 L201F169-Q193 HydrophobicContact CB-CB 4.29Å; F169-Q193 HydrophobicContact CB-CG 4.32Å; F191-Q193 HydrophobicContact CE1-CB 3.94Å; F191-Q193 HydrophobicContact CZ-CB 4.39Å; Q193-V195 PolarHBondContact O-N 2.59Å; Q193-V200 WeakPolarHBondContact O-CA 3.26Å; Q193-L201 PolarHBondContact N-O 3.46Å; Q193-L201 PolarHBondContact O-N 3.11Å
194S92.7Very high92.3Very high3 Ų340.2 Ų40.22%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-73.3116167.5-174.90000108.4L47 P48 D168 S196L47-S194 VanDerWaalsContact CD1-O 3.23Å; L47-S194 WeakPolarHBondContact CD1-O 3.35Å; P48-S194 WeakPolarHBondContact O-CB 3.44Å; D168-S194 PolarHBondContact O-N 2.83Å; S194-S196 PolarHBondContact OG-O 2.91Å; S194-S196 VanDerWaalsContact OG-O 3.06Å
195V90.8Very high92.8Very high83 Ų8342.6 Ų42.650%0.50324%0.244SC..EExtended strand (participates in β ladder)trans-93.9-33.2177.9179.30000110.4Q193 L199 L201Q193-V195 PolarHBondContact O-N 2.59Å; V195-L199 PolarHBondContact N-O 3.16Å; V195-L201 HydrophobicContact CG2-CB 4.2Å; V195-L201 HydrophobicContact CG2-CD1 4.11Å; V195-L201 HydrophobicContact CG2-CG 4.19Å
196S88.9Confident93Very high43 Ų4342.6 Ų42.630%0.30125%0.245SC..EExtended strand (participates in β ladder)trans-141.8171.5173820000110.3S194 G198 L199S194-S196 PolarHBondContact OG-O 2.91Å; S194-S196 VanDerWaalsContact OG-O 3.06Å; S196-G198 PolarHBondContact O-N 3.11Å; S196-G198 PolarHBondContact OG-N 3.06Å; S196-L199 PolarHBondContact N-O 3.08Å; S196-L199 VanDerWaalsContact N-O 3.16Å; S196-L199 PolarHBondContact O-N 3.13Å; S196-L199 VanDerWaalsContact O-N 3.13Å; S196-L199 WeakPolarHBondContact OG-CB 3.38Å; S196-L199 PolarHBondContact OG-N 3.14Å; S196-L199 VanDerWaalsContact OG-N 3.11Å
197S83.4Confident93Very high37 Ų3742.3 Ų42.326%0.25924%0.239SC..THydrogen-bonded Turntrans-44.7-34.1174.734.80000115.6W40W40-S197 VanDerWaalsContact CZ2-CB 3.47Å
198G85.9Confident92.9Very high9 Ų942.4 Ų42.49%0.09324%0.238CC..THydrogen-bonded Turntrans-123.74.3-178.400000113.4S196 Y224 S225S196-G198 PolarHBondContact O-N 3.11Å; S196-G198 PolarHBondContact OG-N 3.06Å; G198-Y224 CarbonylContact O-C 3.51Å; G198-Y224 WeakPolarHBondContact O-CA 3.21Å; G198-Y224 VanDerWaalsContact O-CD2 3.31Å; G198-Y224 WeakPolarHBondContact O-CD2 3.31Å; G198-S225 WeakPolarHBondContact CA-O 3.16Å; G198-S225 PolarHBondContact O-N 3.13Å
199L91.3Very high92.5Very high53 Ų5346.4 Ų46.428%0.27725%0.251SS..EExtended strand (participates in β ladder)trans-121.6122.1-176.4-175.468.2000109.9V195 S196 L201 Q223 Y224V195-L199 PolarHBondContact N-O 3.16Å; S196-L199 PolarHBondContact N-O 3.08Å; S196-L199 VanDerWaalsContact N-O 3.16Å; S196-L199 PolarHBondContact O-N 3.13Å; S196-L199 VanDerWaalsContact O-N 3.13Å; S196-L199 WeakPolarHBondContact OG-CB 3.38Å; S196-L199 PolarHBondContact OG-N 3.14Å; S196-L199 VanDerWaalsContact OG-N 3.11Å; L199-L201 HydrophobicContact CD1-CD2 4.17Å; L199-L201 HydrophobicContact CD2-CD1 4.42Å; L199-L201 HydrophobicContact CD2-CG 4.4Å; L199-L201 HydrophobicContact CG-CD2 4.38Å; L199-L201 HydrophobicContact CG-CG 4.24Å; L199-Q223 WeakPolarHBondContact CA-O 3.38Å; L199-Y224 HydrophobicContact CB-CD2 4.21Å; L199-Y224 HydrophobicContact CD1-CD2 3.97Å
200V94.4Very high91.9Very high12 Ų1245.9 Ų45.97%0.07325%0.25CC..EExtended strand (participates in β ladder)trans-115.9130.9172.4176.80000107.5P50 L192 Q193 G222 Q223P50-V200 HydrophobicContact CB-CB 4.19Å; P50-V200 HydrophobicContact CB-CG1 3.4Å; P50-V200 VanDerWaalsContact CB-CG1 3.4Å; P50-V200 HydrophobicContact CB-CG2 3.67Å; P50-V200 HydrophobicContact CG-CG1 4.33Å; L192-V200 HydrophobicContact CB-CG1 4.21Å; L192-V200 HydrophobicContact CD2-CG1 3.9Å; Q193-V200 WeakPolarHBondContact O-CA 3.26Å; V200-G222 CarbonylContact O-C 3.55Å; V200-G222 WeakPolarHBondContact O-CA 3.35Å; V200-Q223 HydrophobicContact CB-CB 4.28Å; V200-Q223 PolarHBondContact N-O 2.8Å; V200-Q223 PolarHBondContact O-N 2.78Å
201L95.8Very high90.9Very high81 Ų8156.5 Ų56.542%0.42429%0.289SS..EExtended strand (participates in β ladder)trans-123.6153.4173.8-63.4-179.7000109.2Q193 V195 L199 A221Q193-L201 PolarHBondContact N-O 3.46Å; Q193-L201 PolarHBondContact O-N 3.11Å; V195-L201 HydrophobicContact CG2-CB 4.2Å; V195-L201 HydrophobicContact CG2-CD1 4.11Å; V195-L201 HydrophobicContact CG2-CG 4.19Å; L199-L201 HydrophobicContact CD1-CD2 4.17Å; L199-L201 HydrophobicContact CD2-CD1 4.42Å; L199-L201 HydrophobicContact CD2-CG 4.4Å; L199-L201 HydrophobicContact CG-CD2 4.38Å; L199-L201 HydrophobicContact CG-CG 4.24Å; L201-A221 CarbonylContact C-O 3.55Å; L201-A221 WeakPolarHBondContact CA-O 3.23Å
202G95.5Very high89.8Confident19 Ų1956.8 Ų56.820%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-178.4-163.6175.800000112.9F191 A221F191-G202 CarbonylContact O-C 3.55Å; F191-G202 WeakPolarHBondContact O-CA 3.35Å; G202-A221 PolarHBondContact N-O 3.26Å; G202-A221 PolarHBondContact O-N 3.03Å
203G95.2Very high89Confident15 Ų1563.5 Ų63.516%0.15534%0.34CS..EExtended strand (participates in β ladder)trans-160.3164.6177.500000112.7H190 F191 T219H190-G203 WeakPolarHBondContact CA-O 3.42Å; F191-G203 PolarHBondContact N-O 3.26Å; F191-G203 PolarHBondContact O-N 2.91Å; G203-T219 CarbonylContact C-O 3.56Å; G203-T219 WeakPolarHBondContact CA-O 3.25Å
204E95.5Very high88.8Confident41 Ų4166 Ų6619%0.19235%0.352CS..EExtended strand (participates in β ladder)trans-126126.8175.3170.1-176.9-148.600107.9F53 V188 A189 H190 V206 L218 T219F53-E204 HydrophobicContact CE1-CB 3.92Å; F53-E204 HydrophobicContact CE1-CG 4.37Å; F53-E204 VanDerWaalsContact CE1-OE2 3.32Å; F53-E204 WeakPolarHBondContact CE1-OE2 3.5Å; F53-E204 HydrophobicContact CE2-CB 3.91Å; F53-E204 HydrophobicContact CZ-CB 3.51Å; F53-E204 HydrophobicContact CZ-CG 4.41Å; V188-E204 HydrophobicContact CG1-CG 3.83Å; V188-E204 WeakPolarHBondContact CG1-OE1 3.13Å; A189-E204 CarbonylContact O-C 3.56Å; A189-E204 WeakPolarHBondContact O-CA 3.47Å; H190-E204 VanDerWaalsContact CE1-CD 3.44Å; H190-E204 IonicContact CE1-OE1 2.67Å; H190-E204 PolarHBondContact CE1-OE1 3.02Å; H190-E204 WeakPolarHBondContact ND1-CG 3.46Å; H190-E204 IonicContact ND1-OE1 3.78Å; E204-V206 HydrophobicContact CG-CG2 3.94Å; E204-L218 WeakPolarHBondContact O-CA 3.38Å; E204-T219 PolarHBondContact N-O 3Å; E204-T219 PolarHBondContact O-N 3.36Å
205L94.8Very high88.5Confident85 Ų8566.8 Ų66.845%0.44536%0.36SS..EExtended strand (participates in β ladder)trans-109.2112.1171.3178.667.1000108.1V188 A189 L218V188-L205 CarbonylContact C-O 3.58Å; V188-L205 WeakPolarHBondContact CA-O 3.4Å; A189-L205 PolarHBondContact N-O 3Å; A189-L205 PolarHBondContact O-N 3.36Å; L205-L218 HydrophobicContact CB-CD1 4.43Å; L205-L218 HydrophobicContact CD1-CB 4.46Å; L205-L218 HydrophobicContact CD1-CD1 4.5Å
206V94Very high88.5Confident34 Ų3465 Ų6521%0.20636%0.359CS..EExtended strand (participates in β ladder)trans-98.9111.2171.1-178.20000107.9V188 E204 G216 I217V188-V206 HydrophobicContact CG1-CG2 3.99Å; V188-V206 HydrophobicContact CG2-CG1 4.32Å; V188-V206 HydrophobicContact CG2-CG2 4.29Å; E204-V206 HydrophobicContact CG-CG2 3.94Å; V206-G216 CarbonylContact O-C 3.55Å; V206-G216 WeakPolarHBondContact O-CA 3.36Å; V206-I217 PolarHBondContact N-O 2.84Å; V206-I217 PolarHBondContact O-N 2.66Å
207Y92.4Very high88.6Confident60 Ų6064.9 Ų64.924%0.23535%0.354CS..EExtended strand (participates in β ladder)trans-105.9119.9171.2177.8-101.9000108.9I186 L187 R209 E214I186-Y207 WeakPolarHBondContact CA-O 3.38Å; L187-Y207 HydrophobicContact CB-CD1 4.44Å; L187-Y207 HydrophobicContact CD1-CD1 4.18Å; L187-Y207 PolarHBondContact N-O 2.96Å; L187-Y207 PolarHBondContact O-N 2.79Å; L187-Y207 VanDerWaalsContact O-O 3.14Å; Y207-R209 HydrophobicContact CE1-CB 3.84Å; Y207-E214 HydrophobicContact CE2-CG 3.82Å; Y207-E214 VanDerWaalsContact CE2-OE1 3.23Å; Y207-E214 WeakPolarHBondContact CE2-OE1 3.13Å; Y207-E214 VanDerWaalsContact CZ-OE1 3.3Å; Y207-E214 VanDerWaalsContact OH-CD 3.26Å; Y207-E214 PolarHBondContact OH-OE1 2.79Å
208H90.9Very high89.1Confident65 Ų6567.9 Ų67.930%0.30137%0.367SS..EExtended strand (participates in β ladder)trans-119.4127.8172.262.9-72.9000108.6I186 G215I186-H208 HydrophobicContact CG1-CB 4.14Å; H208-G215 VanDerWaalsContact CE1-CA 3.45Å; H208-G215 WeakPolarHBondContact CE1-CA 3.2Å; H208-G215 PolarHBondContact CE1-O 2.82Å; H208-G215 PolarHBondContact N-O 2.86Å; H208-G215 PolarHBondContact ND1-O 2.77Å; H208-G215 PolarHBondContact O-N 2.8Å
209R86.7Confident89.5Confident106 Ų10668.5 Ų68.540%0.437%0.369SS..EExtended strand (participates in β ladder)trans-117.2121.8171.9179.6173.4169.1154.6-4.8107.3E183 S184 V185 Y207E183-R209 IonicContact OE2-NH2 3.24Å; E183-R209 PolarHBondContact OE2-NH2 2.8Å; E183-R209 VanDerWaalsContact OE2-NH2 3.13Å; S184-R209 CarbonylContact C-O 3.55Å; S184-R209 WeakPolarHBondContact CA-O 3.32Å; V185-R209 HydrophobicContact CG1-CB 4.36Å; V185-R209 PolarHBondContact N-O 2.79Å; V185-R209 PolarHBondContact O-N 2.87Å; Y207-R209 HydrophobicContact CE1-CB 3.84Å
210G84Confident89.8Confident30 Ų3071.2 Ų71.231%0.30938%0.383SS..  trans-120.9171.6167.800000110.2A212 E213G210-A212 PolarHBondContact O-N 2.8Å; G210-A212 VanDerWaalsContact O-N 3.09Å; G210-E213 PolarHBondContact N-O 3.48Å
211R73.1Confident89.9Confident234 Ų23471 Ų7188%0.88338%0.382SS*.SBendtrans-59-25.3-176.4-166.5175.9-179.8-174.41.3114.4
212A72Confident89.8Confident99 Ų9968 Ų6882%0.81837%0.371SS*.SBendtrans-119.8-17.4-176.800000114.1G210G210-A212 PolarHBondContact O-N 2.8Å; G210-A212 VanDerWaalsContact O-N 3.09Å
213E78.9Confident89.8Confident144 Ų14468 Ų6867%0.67337%0.366SS*.  trans-138.7132-172.9-67.8-175.2170.900110.3G210G210-E213 PolarHBondContact N-O 3.48Å
214E87.9Confident89.7Confident134 Ų13470.9 Ų70.963%0.62637%0.373SS*.EExtended strand (participates in β ladder)trans-119.5131.9171.6-176.3176.5-179.600108.3Y207Y207-E214 HydrophobicContact CE2-CG 3.82Å; Y207-E214 VanDerWaalsContact CE2-OE1 3.23Å; Y207-E214 WeakPolarHBondContact CE2-OE1 3.13Å; Y207-E214 VanDerWaalsContact CZ-OE1 3.3Å; Y207-E214 VanDerWaalsContact OH-CD 3.26Å; Y207-E214 PolarHBondContact OH-OE1 2.79Å
215G87.9Confident89.5Confident18 Ų1870.2 Ų70.219%0.18637%0.372CS..EExtended strand (participates in β ladder)trans-152.3137.9-179.400000113.2H208H208-G215 VanDerWaalsContact CE1-CA 3.45Å; H208-G215 WeakPolarHBondContact CE1-CA 3.2Å; H208-G215 PolarHBondContact CE1-O 2.82Å; H208-G215 PolarHBondContact N-O 2.86Å; H208-G215 PolarHBondContact ND1-O 2.77Å; H208-G215 PolarHBondContact O-N 2.8Å
216G89.8Confident89.3Confident47 Ų4772.1 Ų72.149%0.48537%0.374SS..EExtended strand (participates in β ladder)trans-114132.1169.900000110.5V206V206-G216 CarbonylContact O-C 3.55Å; V206-G216 WeakPolarHBondContact O-CA 3.36Å
217I91.8Very high88.9Confident39 Ų3974.9 Ų74.920%0.239%0.392CS..EExtended strand (participates in β ladder)trans-120118.9170.3-57.8176.2000107.5V206 K237V206-I217 PolarHBondContact N-O 2.84Å; V206-I217 PolarHBondContact O-N 2.66Å; I217-K237 HydrophobicContact CG2-CB 4.43Å
218L93.7Very high88.8Confident101 Ų10176.6 Ų76.653%0.52941%0.406SS..EExtended strand (participates in β ladder)trans-96.1128.5168.8-177.967.5000108.9E204 L205 G236E204-L218 WeakPolarHBondContact O-CA 3.38Å; L205-L218 HydrophobicContact CB-CD1 4.43Å; L205-L218 HydrophobicContact CD1-CB 4.46Å; L205-L218 HydrophobicContact CD1-CD1 4.5Å; L218-G236 WeakPolarHBondContact O-CA 3.39Å
219T94.9Very high88.9Confident21 Ų2177.4 Ų77.413%0.12941%0.406CS..EExtended strand (participates in β ladder)trans-119.9126.8174-56.60000107.9G203 E204 N234G203-T219 CarbonylContact C-O 3.56Å; G203-T219 WeakPolarHBondContact CA-O 3.25Å; E204-T219 PolarHBondContact N-O 3Å; E204-T219 PolarHBondContact O-N 3.36Å; T219-N234 HydrophobicContact CG2-CB 4.08Å
220L96.7Very high89.3Confident111 Ų11173 Ų7358%0.58139%0.391SS*.EExtended strand (participates in β ladder)trans-90.2140.6171.9-60.5178000108.9N234 A235L220-N234 CarbonylContact O-C 3.54Å; L220-N234 VanDerWaalsContact O-CA 3.25Å; L220-N234 WeakPolarHBondContact O-CA 3.36Å; L220-A235 PolarHBondContact N-O 3.07Å; L220-A235 PolarHBondContact O-N 2.89Å
221A95.6Very high89.9Confident6 Ų673 Ų735%0.0539%0.388CS..EExtended strand (participates in β ladder)trans-124.8139.3-179.900000110.6F53 L56 L192 L201 G202 L233 N234F53-A221 HydrophobicContact CD2-CB 4.42Å; F53-A221 HydrophobicContact CE2-CB 3.48Å; F53-A221 VanDerWaalsContact CE2-CB 3.48Å; F53-A221 HydrophobicContact CZ-CB 4.02Å; L56-A221 HydrophobicContact CD1-CB 3.87Å; L192-A221 HydrophobicContact CD2-CB 4.4Å; L201-A221 CarbonylContact C-O 3.55Å; L201-A221 WeakPolarHBondContact CA-O 3.23Å; G202-A221 PolarHBondContact N-O 3.26Å; G202-A221 PolarHBondContact O-N 3.03Å; A221-L233 CarbonylContact C-O 3.59Å; A221-L233 WeakPolarHBondContact CA-O 3.48Å; A221-N234 WeakPolarHBondContact CA-OD1 3.39Å; A221-N234 WeakPolarHBondContact CB-OD1 3.19Å
222G95.1Very high90.9Very high18 Ų1862.2 Ų62.219%0.18635%0.348CS..EExtended strand (participates in β ladder)trans-138.3136.2174.100000110.6V200 T232 L233V200-G222 CarbonylContact O-C 3.55Å; V200-G222 WeakPolarHBondContact O-CA 3.35Å; G222-T232 CarbonylContact O-C 3.54Å; G222-T232 VanDerWaalsContact O-CA 3.25Å; G222-T232 WeakPolarHBondContact O-CA 3.29Å; G222-L233 PolarHBondContact N-O 2.91Å; G222-L233 PolarHBondContact O-N 2.8Å
223Q94.7Very high92.1Very high21 Ų2161.9 Ų61.910%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-129.6132.1172.6167.6178.145.200109.8L56 L199 V200 V230 A231 T232L56-Q223 HydrophobicContact CD2-CB 3.82Å; L56-Q223 HydrophobicContact CD2-CG 4.49Å; L199-Q223 WeakPolarHBondContact CA-O 3.38Å; V200-Q223 HydrophobicContact CB-CB 4.28Å; V200-Q223 PolarHBondContact N-O 2.8Å; V200-Q223 PolarHBondContact O-N 2.78Å; Q223-V230 HydrophobicContact CG-CG1 4.03Å; Q223-A231 CarbonylContact C-O 3.41Å; Q223-A231 WeakPolarHBondContact CA-O 3.44Å; Q223-T232 HydrophobicContact CB-CG2 3.78Å; Q223-T232 HydrophobicContact CG-CG2 3.76Å
224Y93.8Very high92.9Very high75 Ų7555.8 Ų55.829%0.29430%0.304SS..EExtended strand (participates in β ladder)trans-119.2115.9173.8-166.9-103.5000110.9G198 L199 R226 W229 V230 A231G198-Y224 CarbonylContact O-C 3.51Å; G198-Y224 WeakPolarHBondContact O-CA 3.21Å; G198-Y224 VanDerWaalsContact O-CD2 3.31Å; G198-Y224 WeakPolarHBondContact O-CD2 3.31Å; L199-Y224 HydrophobicContact CB-CD2 4.21Å; L199-Y224 HydrophobicContact CD1-CD2 3.97Å; Y224-R226 HydrophobicContact CD1-CG 4.18Å; Y224-R226 HydrophobicContact CE1-CG 3.61Å; Y224-R226 VanDerWaalsContact OH-CZ 3.26Å; Y224-R226 PolarHBondContact OH-NE 2.86Å; Y224-R226 PolarHBondContact OH-NH2 3.29Å; Y224-W229 AromaticContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CZ2 4.01Å; Y224-W229 AromaticContact CD1-CZ3 3.6Å; Y224-W229 HydrophobicContact CD1-CZ3 3.6Å; Y224-W229 AromaticContact CE1-CH2 3.48Å; Y224-W229 HydrophobicContact CE1-CH2 3.48Å; Y224-W229 VanDerWaalsContact CE1-CH2 3.48Å; Y224-W229 AromaticContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ3 4.27Å; Y224-V230 CarbonylContact O-C 3.53Å; Y224-V230 WeakPolarHBondContact O-CA 3.29Å; Y224-A231 PolarHBondContact N-O 2.99Å; Y224-A231 PolarHBondContact O-N 2.85Å
225S91.1Very high93.2Very high27 Ų2751.4 Ų51.419%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-115125.8-172.9-63.50000110.9G198G198-S225 WeakPolarHBondContact CA-O 3.16Å; G198-S225 PolarHBondContact O-N 3.13Å
226R90.5Very high93.5Very high125 Ų12551.8 Ų51.847%0.47229%0.294SS..  trans-124.6167.7172.2-72.1-62.3-168.3159.63.8109.4Y224 N228 W229Y224-R226 HydrophobicContact CD1-CG 4.18Å; Y224-R226 HydrophobicContact CE1-CG 3.61Å; Y224-R226 VanDerWaalsContact OH-CZ 3.26Å; Y224-R226 PolarHBondContact OH-NE 2.86Å; Y224-R226 PolarHBondContact OH-NH2 3.29Å; R226-N228 PolarHBondContact O-N 2.95Å; R226-N228 VanDerWaalsContact O-N 3.08Å; R226-W229 CarbonylContact C-O 3.58Å; R226-W229 HydrophobicContact CB-CD2 4.12Å; R226-W229 HydrophobicContact CB-CG 4.25Å; R226-W229 HydrophobicContact CB-CZ2 4.31Å; R226-W229 HydrophobicContact CG-CD2 4.43Å; R226-W229 HydrophobicContact CG-CH2 4.44Å; R226-W229 HydrophobicContact CG-CZ2 3.76Å; R226-W229 PolarHBondContact N-O 2.86Å; R226-W229 PolarHBondContact O-N 2.92Å
227P86.3Confident93.4Very high91 Ų9157.8 Ų57.859%0.59131%0.307SS*.SBendtrans-55.5-32.3-173.7-29.236.5000115.2P37P37-P227 WeakPolarHBondContact CG-O 3.32Å
228N90.1Very high93.1Very high97 Ų9757.5 Ų57.552%0.51931%0.314SS..SBendtrans-113.3-10.8-174.5-62.8-7.1000113.7R226 R247R226-N228 PolarHBondContact O-N 2.95Å; R226-N228 VanDerWaalsContact O-N 3.08Å; N228-R247 PolarHBondContact O-N 3.31Å
229W92.9Very high93Very high82 Ų8253.5 Ų53.531%0.31130%0.297SS..EExtended strand (participates in β ladder)trans-151.2152.8-174.664.7-93.3000112.5Y224 R226 A231 Y244 Y245 H246Y224-W229 AromaticContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CH2 3.26Å; Y224-W229 HydrophobicContact CD1-CZ2 4.01Å; Y224-W229 AromaticContact CD1-CZ3 3.6Å; Y224-W229 HydrophobicContact CD1-CZ3 3.6Å; Y224-W229 AromaticContact CE1-CH2 3.48Å; Y224-W229 HydrophobicContact CE1-CH2 3.48Å; Y224-W229 VanDerWaalsContact CE1-CH2 3.48Å; Y224-W229 AromaticContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ2 3.82Å; Y224-W229 HydrophobicContact CE1-CZ3 4.27Å; R226-W229 CarbonylContact C-O 3.58Å; R226-W229 HydrophobicContact CB-CD2 4.12Å; R226-W229 HydrophobicContact CB-CG 4.25Å; R226-W229 HydrophobicContact CB-CZ2 4.31Å; R226-W229 HydrophobicContact CG-CD2 4.43Å; R226-W229 HydrophobicContact CG-CH2 4.44Å; R226-W229 HydrophobicContact CG-CZ2 3.76Å; R226-W229 PolarHBondContact N-O 2.86Å; R226-W229 PolarHBondContact O-N 2.92Å; W229-A231 HydrophobicContact CE3-CB 4.2Å; W229-A231 HydrophobicContact CZ3-CB 3.76Å; W229-Y244 HydrophobicContact CB-CE2 4.17Å; W229-Y244 HydrophobicContact CD2-CE2 4.13Å; W229-Y244 HydrophobicContact CE3-CD2 4.34Å; W229-Y244 AromaticContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CG-CE2 4.38Å; W229-Y244 HydrophobicContact CZ3-CE2 4.33Å; W229-Y245 CarbonylContact C-O 3.6Å; W229-Y245 WeakPolarHBondContact CA-O 3.35Å; W229-Y245 VanDerWaalsContact CB-O 3.29Å; W229-Y245 WeakPolarHBondContact CB-O 3.46Å; W229-H246 HydrophobicContact CB-CB 4.37Å; W229-H246 WeakPolarHBondContact CB-ND1 3.49Å
230V94.4Very high93Very high13 Ų1354 Ų548%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-135.6127179.6179.70000107.8Q223 Y224 T232 Y245Q223-V230 HydrophobicContact CG-CG1 4.03Å; Y224-V230 CarbonylContact O-C 3.53Å; Y224-V230 WeakPolarHBondContact O-CA 3.29Å; V230-T232 HydrophobicContact CG1-CG2 4.16Å; V230-Y245 HydrophobicContact CB-CD1 4.41Å; V230-Y245 HydrophobicContact CG2-CD1 4.32Å; V230-Y245 PolarHBondContact N-O 2.83Å; V230-Y245 PolarHBondContact O-N 3.21Å
231A95.8Very high92.9Very high30 Ų3050.2 Ų50.225%0.24828%0.283CS..EExtended strand (participates in β ladder)trans-113135.5171.700000109.3Q223 Y224 W229 S243 Y244Q223-A231 CarbonylContact C-O 3.41Å; Q223-A231 WeakPolarHBondContact CA-O 3.44Å; Y224-A231 PolarHBondContact N-O 2.99Å; Y224-A231 PolarHBondContact O-N 2.85Å; W229-A231 HydrophobicContact CE3-CB 4.2Å; W229-A231 HydrophobicContact CZ3-CB 3.76Å; A231-S243 CarbonylContact C-O 3.51Å; A231-S243 WeakPolarHBondContact CA-O 3.24Å; A231-Y244 HydrophobicContact CB-CD2 4.15Å
232T95.8Very high93Very high7 Ų751.3 Ų51.34%0.04329%0.292CS..EExtended strand (participates in β ladder)trans-129.7148.917466.70000111.2L56 H57 G222 Q223 V230 A242 S243L56-T232 HydrophobicContact CB-CG2 4.49Å; L56-T232 WeakPolarHBondContact O-CG2 3.32Å; H57-T232 PolarHBondContact CE1-OG1 2.73Å; H57-T232 PolarHBondContact ND1-OG1 2.77Å; G222-T232 CarbonylContact O-C 3.54Å; G222-T232 VanDerWaalsContact O-CA 3.25Å; G222-T232 WeakPolarHBondContact O-CA 3.29Å; Q223-T232 HydrophobicContact CB-CG2 3.78Å; Q223-T232 HydrophobicContact CG-CG2 3.76Å; V230-T232 HydrophobicContact CG1-CG2 4.16Å; T232-A242 CarbonylContact O-C 3.56Å; T232-A242 VanDerWaalsContact O-CA 3.31Å; T232-A242 WeakPolarHBondContact O-CA 3.49Å; T232-S243 PolarHBondContact N-O 2.89Å; T232-S243 PolarHBondContact O-N 2.92Å; T232-S243 PolarHBondContact OG1-OG 2.98Å
233L96.3Very high93Very high92 Ų9250.8 Ų50.848%0.48229%0.285SS..EExtended strand (participates in β ladder)trans-143121.3177.4176.665.7000109.1A221 G222 A242A221-L233 CarbonylContact C-O 3.59Å; A221-L233 WeakPolarHBondContact CA-O 3.48Å; G222-L233 PolarHBondContact N-O 2.91Å; G222-L233 PolarHBondContact O-N 2.8Å; L233-A242 HydrophobicContact CD1-CB 3.88Å
234N94.9Very high93.1Very high17 Ų1754.1 Ų54.19%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-112.2125.4167.6-70.44000107.9H57 T219 L220 A221 A240 H241H57-N234 PolarHBondContact NE2-ND2 2.83Å; T219-N234 HydrophobicContact CG2-CB 4.08Å; L220-N234 CarbonylContact O-C 3.54Å; L220-N234 VanDerWaalsContact O-CA 3.25Å; L220-N234 WeakPolarHBondContact O-CA 3.36Å; A221-N234 WeakPolarHBondContact CA-OD1 3.39Å; A221-N234 WeakPolarHBondContact CB-OD1 3.19Å; N234-A240 CarbonylContact O-C 3.41Å; N234-A240 VanDerWaalsContact O-CA 3.26Å; N234-A240 WeakPolarHBondContact O-CA 3.35Å; N234-H241 HydrophobicContact CB-CB 4.49Å; N234-H241 PolarHBondContact N-O 2.78Å; N234-H241 PolarHBondContact O-N 2.58Å
235A95.8Very high93.3Very high41 Ų4151.3 Ų51.334%0.33929%0.287SS..EExtended strand (participates in β ladder)trans-139.9130.4-179.300000110.5L220 A240L220-A235 PolarHBondContact N-O 3.07Å; L220-A235 PolarHBondContact O-N 2.89Å; A235-A240 HydrophobicContact CB-CB 4.39Å
236G92.6Very high93.5Very high26 Ų2652.7 Ų52.727%0.26829%0.29SS..EExtended strand (participates in β ladder)trans-158-175179.900000111.6L218 G238 G239L218-G236 WeakPolarHBondContact O-CA 3.39Å; G236-G238 PolarHBondContact O-N 2.79Å; G236-G239 PolarHBondContact N-O 2.82Å; G236-G239 PolarHBondContact O-N 2.79Å; G236-G239 VanDerWaalsContact O-N 3.16Å; G236-G239 VanDerWaalsContact O-O 3.07Å
237K88.4Confident93.6Very high173 Ų17348.8 Ų48.875%0.75228%0.275SS*.THydrogen-bonded Turntrans-59.6-30.3178.9-172.3178.8177.1-176.50112.6I217 T262I217-K237 HydrophobicContact CG2-CB 4.43Å; K237-T262 PolarHBondContact O-OG1 2.85Å
238G84.8Confident93.8Very high33 Ų3347.4 Ų47.434%0.3427%0.272SS..THydrogen-bonded Turntrans-74-21.518000000114.9G236 T262G236-G238 PolarHBondContact O-N 2.79Å; G238-T262 PolarHBondContact O-N 2.79Å
239G92.8Very high93.8Very high18 Ų1847.3 Ų47.319%0.18627%0.271CS..EExtended strand (participates in β ladder)trans151.3-173.9-173.800000112.9G236 A260G236-G239 PolarHBondContact N-O 2.82Å; G236-G239 PolarHBondContact O-N 2.79Å; G236-G239 VanDerWaalsContact O-N 3.16Å; G236-G239 VanDerWaalsContact O-O 3.07Å; G239-A260 CarbonylContact C-O 3.52Å; G239-A260 WeakPolarHBondContact CA-O 3.36Å
240A94.5Very high93.5Very high31 Ų3150.3 Ų50.326%0.25629%0.287SS..EExtended strand (participates in β ladder)trans-128.713817400000110.3N234 A235 A260N234-A240 CarbonylContact O-C 3.41Å; N234-A240 VanDerWaalsContact O-CA 3.26Å; N234-A240 WeakPolarHBondContact O-CA 3.35Å; A235-A240 HydrophobicContact CB-CB 4.39Å; A240-A260 PolarHBondContact N-O 2.83Å; A240-A260 PolarHBondContact O-N 2.86Å
241H95.7Very high93.3Very high31 Ų3153.6 Ų53.614%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-130.6112.1174.8178.4-155.4000108.6H57 N234 E257 F258H57-H241 AromaticContact CD2-CE1 3.74Å; H57-H241 AromaticContact CD2-ND1 3.7Å; H57-H241 AromaticContact CE1-CD2 3.91Å; H57-H241 AromaticContact CE1-CE1 3.42Å; H57-H241 PolarHBondContact CE1-CE1 2.83Å; H57-H241 VanDerWaalsContact CE1-CE1 3.42Å; H57-H241 AromaticContact CE1-CG 3.68Å; H57-H241 AromaticContact CE1-ND1 3.36Å; H57-H241 PolarHBondContact CE1-ND1 3.07Å; H57-H241 AromaticContact CE1-NE2 3.69Å; H57-H241 PolarHBondContact CE1-O 2.83Å; H57-H241 AromaticContact CG-CE1 3.38Å; H57-H241 AromaticContact CG-ND1 3.81Å; H57-H241 AromaticContact ND1-CE1 3.18Å; H57-H241 PolarHBondContact ND1-CE1 3.15Å; H57-H241 AromaticContact ND1-ND1 3.63Å; H57-H241 AromaticContact ND1-NE2 3.44Å; H57-H241 PolarHBondContact ND1-NE2 2.95Å; H57-H241 AromaticContact NE2-CE1 3.77Å; H57-H241 AromaticContact NE2-ND1 3.42Å; H57-H241 PolarHBondContact NE2-ND1 2.93Å; N234-H241 HydrophobicContact CB-CB 4.49Å; N234-H241 PolarHBondContact N-O 2.78Å; N234-H241 PolarHBondContact O-N 2.58Å; H241-E257 IonicContact CE1-OE1 3.85Å; H241-E257 PolarHBondContact CE1-OE1 3.32Å; H241-E257 WeakPolarHBondContact NE2-CG 3.31Å; H241-E257 IonicContact NE2-OE1 3.7Å; H241-E257 PolarHBondContact NE2-OE1 3.13Å; H241-F258 CarbonylContact C-O 3.59Å; H241-F258 WeakPolarHBondContact CA-O 3.47Å
242A96.4Very high93.2Very high29 Ų2955.1 Ų55.124%0.2430%0.304CS..EExtended strand (participates in β ladder)trans-111140.8176.300000109.8T232 L233 F258T232-A242 CarbonylContact O-C 3.56Å; T232-A242 VanDerWaalsContact O-CA 3.31Å; T232-A242 WeakPolarHBondContact O-CA 3.49Å; L233-A242 HydrophobicContact CD1-CB 3.88Å; A242-F258 HydrophobicContact CB-CB 4.38Å; A242-F258 PolarHBondContact N-O 3.49Å; A242-F258 PolarHBondContact O-N 3.06Å
243S96.3Very high93.2Very high8 Ų856.4 Ų56.46%0.05631%0.31CS..EExtended strand (participates in β ladder)trans-138144.1172.582.40000112.1H57 A231 T232 V256H57-S243 WeakPolarHBondContact ND1-CB 3.37Å; H57-S243 PolarHBondContact ND1-OG 3.03Å; A231-S243 CarbonylContact C-O 3.51Å; A231-S243 WeakPolarHBondContact CA-O 3.24Å; T232-S243 PolarHBondContact N-O 2.89Å; T232-S243 PolarHBondContact O-N 2.92Å; T232-S243 PolarHBondContact OG1-OG 2.98Å; S243-V256 CarbonylContact C-O 3.51Å; S243-V256 VanDerWaalsContact CA-O 3.25Å; S243-V256 WeakPolarHBondContact CA-O 3.25Å
244Y96.9Very high93.2Very high91 Ų9153.5 Ų53.536%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-131.2115.2179.2178-101.6000109.3W229 A231 H246 G255 V256W229-Y244 HydrophobicContact CB-CE2 4.17Å; W229-Y244 HydrophobicContact CD2-CE2 4.13Å; W229-Y244 HydrophobicContact CE3-CD2 4.34Å; W229-Y244 AromaticContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CE3-CE2 3.69Å; W229-Y244 HydrophobicContact CG-CE2 4.38Å; W229-Y244 HydrophobicContact CZ3-CE2 4.33Å; A231-Y244 HydrophobicContact CB-CD2 4.15Å; Y244-H246 HydrophobicContact CD1-CB 4.47Å; Y244-H246 HydrophobicContact CE1-CB 3.67Å; Y244-H246 PolarHBondContact OH-ND1 2.83Å; Y244-G255 CarbonylContact O-C 3.52Å; Y244-G255 WeakPolarHBondContact O-CA 3.31Å; Y244-V256 PolarHBondContact N-O 2.88Å; Y244-V256 PolarHBondContact O-N 2.79Å
245Y96.5Very high93.3Very high16 Ų1652.7 Ų52.76%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-104.8135.3174.9168.3-97.9000109.7S59 V63 W229 V230 R247 Q253S59-Y245 WeakPolarHBondContact O-CD2 3.32Å; V63-Y245 HydrophobicContact CG2-CD2 3.67Å; V63-Y245 HydrophobicContact CG2-CE2 3.64Å; W229-Y245 CarbonylContact C-O 3.6Å; W229-Y245 WeakPolarHBondContact CA-O 3.35Å; W229-Y245 VanDerWaalsContact CB-O 3.29Å; W229-Y245 WeakPolarHBondContact CB-O 3.46Å; V230-Y245 HydrophobicContact CB-CD1 4.41Å; V230-Y245 HydrophobicContact CG2-CD1 4.32Å; V230-Y245 PolarHBondContact N-O 2.83Å; V230-Y245 PolarHBondContact O-N 3.21Å; Y245-R247 HydrophobicContact CE1-CB 4.36Å; Y245-Q253 HydrophobicContact CE2-CB 4.15Å; Y245-Q253 PolarHBondContact OH-OE1 3.08Å
246H94.8Very high93.4Very high56 Ų5653.3 Ų53.326%0.25929%0.291SS..EExtended strand (participates in β ladder)trans-140.7126.4176.6-170.988.9000111.5W229 Y244 A248 V254W229-H246 HydrophobicContact CB-CB 4.37Å; W229-H246 WeakPolarHBondContact CB-ND1 3.49Å; Y244-H246 HydrophobicContact CD1-CB 4.47Å; Y244-H246 HydrophobicContact CE1-CB 3.67Å; Y244-H246 PolarHBondContact OH-ND1 2.83Å; H246-A248 PolarHBondContact O-N 2.87Å; H246-V254 PolarHBondContact N-O 3.18Å; H246-V254 PolarHBondContact O-N 2.85Å
247R93.7Very high93.6Very high42 Ų4253.6 Ų53.616%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-92.796.8172.2-173.8172.4-172.2176.74.7109.3N228 Y245 N249 Q253N228-R247 PolarHBondContact O-N 3.31Å; Y245-R247 HydrophobicContact CE1-CB 4.36Å; R247-N249 WeakPolarHBondContact CG-O 3.13Å; R247-N249 PolarHBondContact NE-O 2.82Å; R247-Q253 HydrophobicContact CG-CG 4.35Å
248A89.7Confident93.9Very high63 Ų6349.7 Ų49.752%0.52127%0.268SS..  trans-70.1-41.1-179.900000112H246 I252H246-A248 PolarHBondContact O-N 2.87Å; A248-I252 HydrophobicContact CB-CG2 4.48Å; A248-I252 PolarHBondContact N-O 2.86Å
249N89.9Confident94.4Very high95 Ų9553.2 Ų53.251%0.50828%0.276SS..SBendtrans-149.4-179.6176.9-159.7-1.2000111R247 Q251 I252R247-N249 WeakPolarHBondContact CG-O 3.13Å; R247-N249 PolarHBondContact NE-O 2.82Å; N249-Q251 PolarHBondContact O-N 3.46Å; N249-I252 PolarHBondContact N-O 2.81Å; N249-I252 VanDerWaalsContact N-O 3.13Å; N249-I252 VanDerWaalsContact O-O 3.11Å
250K87.4Confident94.5Very high145 Ų14553.4 Ų53.463%0.6328%0.276SS*.SBendtrans-59.4-34.5174.4-69.5-173179.6-177.50112.5
251Q90.3Very high94.4Very high82 Ų8253.5 Ų53.538%0.38328%0.275SS..SBendtrans-92.5-27.5-177.8-67.2172.9-33.300113.6N249 M275 D276N249-Q251 PolarHBondContact O-N 3.46Å; Q251-M275 CarbonylContact O-C 3.51Å; Q251-M275 WeakPolarHBondContact O-CA 3.24Å; Q251-D276 WeakPolarHBondContact CB-O 3.22Å; Q251-D276 WeakPolarHBondContact CG-O 3.33Å; Q251-D276 PolarHBondContact O-N 2.8Å
252I94.1Very high94.1Very high61 Ų6156.5 Ų56.531%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-118.5127.7-169.8-56.6178.6000110.8A248 N249 V254 Q274 M275A248-I252 HydrophobicContact CB-CG2 4.48Å; A248-I252 PolarHBondContact N-O 2.86Å; N249-I252 PolarHBondContact N-O 2.81Å; N249-I252 VanDerWaalsContact N-O 3.13Å; N249-I252 VanDerWaalsContact O-O 3.11Å; I252-V254 HydrophobicContact CG2-CG2 4.33Å; I252-Q274 WeakPolarHBondContact CA-O 3.44Å; I252-M275 HydrophobicContact CG1-CG 4.35Å
253Q95.5Very high93.6Very high34 Ų3464.8 Ų64.816%0.15932%0.32CS..EExtended strand (participates in β ladder)trans-127.4144.2174.5-51.4-177.538.700109.2V63 Y245 R247 Y273 Q274V63-Q253 HydrophobicContact CG2-CB 4.27Å; Y245-Q253 HydrophobicContact CE2-CB 4.15Å; Y245-Q253 PolarHBondContact OH-OE1 3.08Å; R247-Q253 HydrophobicContact CG-CG 4.35Å; Q253-Y273 CarbonylContact O-C 3.56Å; Q253-Y273 VanDerWaalsContact O-CA 3.28Å; Q253-Y273 WeakPolarHBondContact O-CA 3.39Å; Q253-Q274 HydrophobicContact CB-CB 4.42Å; Q253-Q274 PolarHBondContact N-O 3.42Å; Q253-Q274 PolarHBondContact O-N 3.36Å
254V96.9Very high93.3Very high31 Ų3168.3 Ų68.319%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-129.9140.3-176.7-177.90000108.9H246 I252 F271H246-V254 PolarHBondContact N-O 3.18Å; H246-V254 PolarHBondContact O-N 2.85Å; I252-V254 HydrophobicContact CG2-CG2 4.33Å; V254-F271 HydrophobicContact CG1-CD2 4.3Å; V254-F271 HydrophobicContact CG1-CE2 3.41Å; V254-F271 VanDerWaalsContact CG1-CE2 3.41Å; V254-F271 HydrophobicContact CG1-CZ 3.62Å
255G96.8Very high93Very high0 Ų072.5 Ų72.50%036%0.364CS..EExtended strand (participates in β ladder)trans-131.4137.4176.700000110.3C60 Y244 G272C60-G255 VanDerWaalsContact SG-CA 3.59Å; Y244-G255 CarbonylContact O-C 3.52Å; Y244-G255 WeakPolarHBondContact O-CA 3.31Å; G255-G272 PolarHBondContact N-O 3.44Å; G255-G272 PolarHBondContact O-N 3.22Å; G255-G272 VanDerWaalsContact O-O 3.07Å
256V97.1Very high92.7Very high55 Ų5576.3 Ų76.333%0.33338%0.383SS..EExtended strand (participates in β ladder)trans-124.1132.3170.5-172.80000107.8C60 S243 Y244 S270 F271C60-V256 PolarHBondContact SG-N 2.81Å; C60-V256 PolarHBondContact SG-O 2.81Å; S243-V256 CarbonylContact C-O 3.51Å; S243-V256 VanDerWaalsContact CA-O 3.25Å; S243-V256 WeakPolarHBondContact CA-O 3.25Å; Y244-V256 PolarHBondContact N-O 2.88Å; Y244-V256 PolarHBondContact O-N 2.79Å; V256-S270 CarbonylContact C-O 3.55Å; V256-S270 WeakPolarHBondContact CA-O 3.47Å; V256-F271 HydrophobicContact CG2-CD2 3.87Å; V256-F271 HydrophobicContact CG2-CE2 4.4Å
257E96.4Very high92.7Very high32 Ų3278 Ų7815%0.1540%0.397CS..EExtended strand (participates in β ladder)trans-125.4134178.8-164.2174.8-156.700108.4K61 F64 H241 A269 S270K61-E257 WeakPolarHBondContact CE-OE1 3.32Å; F64-E257 HydrophobicContact CE2-CB 4.18Å; F64-E257 HydrophobicContact CZ-CB 4Å; H241-E257 IonicContact CE1-OE1 3.85Å; H241-E257 PolarHBondContact CE1-OE1 3.32Å; H241-E257 WeakPolarHBondContact NE2-CG 3.31Å; H241-E257 IonicContact NE2-OE1 3.7Å; H241-E257 PolarHBondContact NE2-OE1 3.13Å; E257-A269 CarbonylContact O-C 3.49Å; E257-A269 WeakPolarHBondContact O-CA 3.49Å; E257-S270 PolarHBondContact N-O 2.99Å; E257-S270 PolarHBondContact O-N 3.04Å
258F96.4Very high92.8Very high90 Ų9077 Ų7740%0.39540%0.396SS..EExtended strand (participates in β ladder)trans-128116.1174.3175.6-97.6000108.2H241 A242 A260 T267 T268 A269H241-F258 CarbonylContact C-O 3.59Å; H241-F258 WeakPolarHBondContact CA-O 3.47Å; A242-F258 HydrophobicContact CB-CB 4.38Å; A242-F258 PolarHBondContact N-O 3.49Å; A242-F258 PolarHBondContact O-N 3.06Å; F258-A260 HydrophobicContact CE1-CB 3.83Å; F258-A260 HydrophobicContact CZ-CB 4.08Å; F258-T267 HydrophobicContact CZ-CG2 4.43Å; F258-T268 WeakPolarHBondContact CA-O 2.99Å; F258-A269 HydrophobicContact CD2-CB 4.23Å
259E95.3Very high93.1Very high108 Ų10876 Ų7651%0.50539%0.388SS..EExtended strand (participates in β ladder)trans-117.9124.3-180-170.7178-174.300109.3T267 T268E259-T267 CarbonylContact O-C 3.57Å; E259-T267 WeakPolarHBondContact O-CA 3.18Å; E259-T268 PolarHBondContact N-O 3.04Å; E259-T268 PolarHBondContact O-N 2.92Å
260A94.7Very high93.4Very high22 Ų2272.3 Ų72.318%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-124.8119.3175.800000108.4G239 A240 F258 T267G239-A260 CarbonylContact C-O 3.52Å; G239-A260 WeakPolarHBondContact CA-O 3.36Å; A240-A260 PolarHBondContact N-O 2.83Å; A240-A260 PolarHBondContact O-N 2.86Å; F258-A260 HydrophobicContact CE1-CB 3.83Å; F258-A260 HydrophobicContact CZ-CB 4.08Å; A260-T267 HydrophobicContact CB-CG2 3.89Å
261S92.3Very high93.9Very high33 Ų3369.6 Ų69.623%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-109.5119.4179.1170.60000109.7R263 T264 Q265 E266S261-R263 PolarHBondContact O-N 3.33Å; S261-R263 PolarHBondContact OG-N 3.09Å; S261-T264 VanDerWaalsContact CB-OG1 3.22Å; S261-T264 WeakPolarHBondContact CB-OG1 3.5Å; S261-T264 PolarHBondContact OG-N 3.42Å; S261-T264 PolarHBondContact OG-OG1 3.34Å; S261-T264 VanDerWaalsContact OG-OG1 3.09Å; S261-Q265 VanDerWaalsContact O-CA 3.31Å; S261-Q265 WeakPolarHBondContact O-CA 3.38Å; S261-Q265 PolarHBondContact O-N 3.42Å; S261-E266 PolarHBondContact N-O 3.3Å; S261-E266 PolarHBondContact O-N 2.96Å
262T89.3Confident94.2Very high93 Ų9365.7 Ų65.757%0.57134%0.339SS*.THydrogen-bonded Turntrans-67.7-29.5176.9-48.60000111K237 G238K237-T262 PolarHBondContact O-OG1 2.85Å; G238-T262 PolarHBondContact O-N 2.79Å
263R85.5Confident94.3Very high204 Ų20466 Ų6677%0.7734%0.337SS*.THydrogen-bonded Turntrans-71.2-47.3-178.1-175.4-175.9-62.4-174-0.4112.2S261S261-R263 PolarHBondContact O-N 3.33Å; S261-R263 PolarHBondContact OG-N 3.09Å
264T89Confident94.3Very high81 Ų8165.4 Ų65.450%0.49733%0.334SS..THydrogen-bonded Turntrans-88.4-10.5-179.857.10000112.3S261 E266S261-T264 VanDerWaalsContact CB-OG1 3.22Å; S261-T264 WeakPolarHBondContact CB-OG1 3.5Å; S261-T264 PolarHBondContact OG-N 3.42Å; S261-T264 PolarHBondContact OG-OG1 3.34Å; S261-T264 VanDerWaalsContact OG-OG1 3.09Å; T264-E266 PolarHBondContact O-N 3.36Å
265Q90.8Very high94.3Very high179 Ų17967.3 Ų67.384%0.83634%0.342SS*.THydrogen-bonded Turntrans55.127.7-171.4-58.7-173.3-31.400112.7S261S261-Q265 VanDerWaalsContact O-CA 3.31Å; S261-Q265 WeakPolarHBondContact O-CA 3.38Å; S261-Q265 PolarHBondContact O-N 3.42Å
266E91.2Very high94.2Very high96 Ų9670.1 Ų70.145%0.44936%0.357SS..EExtended strand (participates in β ladder)trans-104.4142.1178.7-64.5-172.1154.500110.6S261 T264 R291S261-E266 PolarHBondContact N-O 3.3Å; S261-E266 PolarHBondContact O-N 2.96Å; T264-E266 PolarHBondContact O-N 3.36Å; E266-R291 IonicContact OE2-CZ 3.91Å; E266-R291 IonicContact OE2-NH1 2.72Å; E266-R291 IonicContact OE2-NH2 3.49Å; E266-R291 PolarHBondContact OE2-NH2 3.41Å
267T94.8Very high93.9Very high92 Ų9270.9 Ų70.956%0.56436%0.359SS*.EExtended strand (participates in β ladder)trans-122.6133.9170.556.80000109F258 E259 A260F258-T267 HydrophobicContact CZ-CG2 4.43Å; E259-T267 CarbonylContact O-C 3.57Å; E259-T267 WeakPolarHBondContact O-CA 3.18Å; A260-T267 HydrophobicContact CB-CG2 3.89Å
268T94.8Very high93.6Very high20 Ų2072.9 Ų72.912%0.12338%0.375CS..EExtended strand (participates in β ladder)trans-132.4125.2179.1-51.10000108.8F258 E259 N289 R291F258-T268 WeakPolarHBondContact CA-O 2.99Å; E259-T268 PolarHBondContact N-O 3.04Å; E259-T268 PolarHBondContact O-N 2.92Å; T268-N289 HydrophobicContact CG2-CB 4.42Å; T268-R291 PolarHBondContact OG1-NE 3.46Å; T268-R291 PolarHBondContact OG1-NH2 3.06Å; T268-R291 VanDerWaalsContact OG1-NH2 3.15Å
269A96.6Very high93.1Very high44 Ų4477.8 Ų77.836%0.36440%0.399SS..EExtended strand (participates in β ladder)trans-108.3130.1170.100000108.2E257 F258 N289 S290E257-A269 CarbonylContact O-C 3.49Å; E257-A269 WeakPolarHBondContact O-CA 3.49Å; F258-A269 HydrophobicContact CD2-CB 4.23Å; A269-N289 CarbonylContact O-C 3.56Å; A269-N289 WeakPolarHBondContact O-CA 3.31Å; A269-S290 PolarHBondContact N-OG 2.8Å; A269-S290 VanDerWaalsContact N-OG 3.1Å; A269-S290 PolarHBondContact O-N 3.23Å
270S96.6Very high92.8Very high16 Ų1674.4 Ų74.411%0.11239%0.389CS..EExtended strand (participates in β ladder)trans-126.7132-178.6-600000109.3V256 E257 I288V256-S270 CarbonylContact C-O 3.55Å; V256-S270 WeakPolarHBondContact CA-O 3.47Å; E257-S270 PolarHBondContact N-O 2.99Å; E257-S270 PolarHBondContact O-N 3.04Å; S270-I288 WeakPolarHBondContact CA-O 3.33Å
271F97.4Very high92.6Very high88 Ų8876.7 Ų76.739%0.38640%0.398SS..EExtended strand (participates in β ladder)trans-113.3128.1172175.4-87.1000108.1V254 V256 Y273 M287 I288V254-F271 HydrophobicContact CG1-CD2 4.3Å; V254-F271 HydrophobicContact CG1-CE2 3.41Å; V254-F271 VanDerWaalsContact CG1-CE2 3.41Å; V254-F271 HydrophobicContact CG1-CZ 3.62Å; V256-F271 HydrophobicContact CG2-CD2 3.87Å; V256-F271 HydrophobicContact CG2-CE2 4.4Å; F271-Y273 HydrophobicContact CE1-CD1 4.09Å; F271-M287 CarbonylContact O-C 3.57Å; F271-M287 WeakPolarHBondContact O-CA 3.37Å; F271-I288 HydrophobicContact CB-CG2 3.89Å; F271-I288 HydrophobicContact CD1-CG2 4.08Å; F271-I288 HydrophobicContact CG-CG2 4.42Å; F271-I288 PolarHBondContact N-O 2.83Å; F271-I288 PolarHBondContact O-N 2.76Å
272G96.8Very high92.7Very high0 Ų077.1 Ų77.10%040%0.397CS..EExtended strand (participates in β ladder)trans-130.1150.6-179.900000111.1G255 G286G255-G272 PolarHBondContact N-O 3.44Å; G255-G272 PolarHBondContact O-N 3.22Å; G255-G272 VanDerWaalsContact O-O 3.07Å; G272-G286 CarbonylContact C-O 3.57Å; G272-G286 VanDerWaalsContact CA-O 3.25Å; G272-G286 WeakPolarHBondContact CA-O 3.44Å
273Y96.5Very high92.9Very high68 Ų6873.7 Ų73.727%0.26738%0.376SS..EExtended strand (participates in β ladder)trans-143.3151.5172.771.3-90.3000111Q253 F271 M275 F284 R285 G286Q253-Y273 CarbonylContact O-C 3.56Å; Q253-Y273 VanDerWaalsContact O-CA 3.28Å; Q253-Y273 WeakPolarHBondContact O-CA 3.39Å; F271-Y273 HydrophobicContact CE1-CD1 4.09Å; Y273-M275 HydrophobicContact CD2-CE 3.72Å; Y273-M275 HydrophobicContact CD2-CG 3.8Å; Y273-M275 HydrophobicContact CD2-SD 4.16Å; Y273-M275 HydrophobicContact CE2-CE 3.43Å; Y273-M275 VanDerWaalsContact CE2-CE 3.43Å; Y273-M275 HydrophobicContact CE2-CG 3.86Å; Y273-M275 HydrophobicContact CE2-SD 3.67Å; Y273-F284 AromaticContact CE2-CD1 3.7Å; Y273-F284 HydrophobicContact CE2-CD1 3.7Å; Y273-F284 AromaticContact CE2-CE1 3.73Å; Y273-F284 HydrophobicContact CE2-CE1 3.73Å; Y273-F284 AromaticContact CZ-CE1 3.59Å; Y273-F284 WeakPolarHBondContact OH-CE1 3.2Å; Y273-R285 CarbonylContact O-C 3.59Å; Y273-R285 WeakPolarHBondContact O-CA 3.2Å; Y273-G286 PolarHBondContact N-O 3.42Å; Y273-G286 PolarHBondContact O-N 2.94Å
274Q96.3Very high93.5Very high21 Ų2166.9 Ų66.910%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-124.1128.3174.6179.3-174.3-25.200108.6V63 I252 Q253 V283 F284 R285V63-Q274 HydrophobicContact CG1-CB 3.99Å; I252-Q274 WeakPolarHBondContact CA-O 3.44Å; Q253-Q274 HydrophobicContact CB-CB 4.42Å; Q253-Q274 PolarHBondContact N-O 3.42Å; Q253-Q274 PolarHBondContact O-N 3.36Å; Q274-V283 HydrophobicContact CG-CG1 3.88Å; Q274-F284 CarbonylContact C-O 3.49Å; Q274-F284 WeakPolarHBondContact CA-O 3.42Å; Q274-R285 HydrophobicContact CB-CG 4.32Å; Q274-R285 HydrophobicContact CG-CG 4.06Å; Q274-R285 VanDerWaalsContact OE1-CZ 3.23Å; Q274-R285 VanDerWaalsContact OE1-NH2 3.12Å
275M95.7Very high93.8Very high71 Ų7164.7 Ų64.735%0.3534%0.335SS..EExtended strand (participates in β ladder)trans-115.1118.6173.6-66.1178.7178.200108.9Q251 I252 Y273 V283 F284Q251-M275 CarbonylContact O-C 3.51Å; Q251-M275 WeakPolarHBondContact O-CA 3.24Å; I252-M275 HydrophobicContact CG1-CG 4.35Å; Y273-M275 HydrophobicContact CD2-CE 3.72Å; Y273-M275 HydrophobicContact CD2-CG 3.8Å; Y273-M275 HydrophobicContact CD2-SD 4.16Å; Y273-M275 HydrophobicContact CE2-CE 3.43Å; Y273-M275 VanDerWaalsContact CE2-CE 3.43Å; Y273-M275 HydrophobicContact CE2-CG 3.86Å; Y273-M275 HydrophobicContact CE2-SD 3.67Å; M275-V283 WeakPolarHBondContact O-CA 3.29Å; M275-F284 HydrophobicContact CB-CB 4.5Å; M275-F284 PolarHBondContact N-O 2.84Å; M275-F284 PolarHBondContact O-N 2.77Å
276D94.2Very high94.1Very high60 Ų6056.2 Ų56.232%0.32130%0.296SS..EExtended strand (participates in β ladder)trans-99.8119.6173.5-165.1-14.2000109.4Q251 P278Q251-D276 WeakPolarHBondContact CB-O 3.22Å; Q251-D276 WeakPolarHBondContact CG-O 3.33Å; Q251-D276 PolarHBondContact O-N 2.8Å; D276-P278 VanDerWaalsContact O-CD 3.26Å; D276-P278 WeakPolarHBondContact O-CD 3.23Å
277L92.1Very high94.4Very high71 Ų7152.9 Ų52.937%0.37228%0.28SS..EExtended strand (participates in β ladder)trans-114.283.4-178.1-74151.6000108.3E279 A280 N281 M282L277-E279 VanDerWaalsContact C-N 3.32Å; L277-E279 PolarHBondContact O-N 2.94Å; L277-A280 HydrophobicContact CB-CB 4.32Å; L277-A280 CarbonylContact O-C 3.45Å; L277-A280 PolarHBondContact O-N 3.12Å; L277-A280 VanDerWaalsContact O-N 3.11Å; L277-N281 PolarHBondContact O-N 2.81Å; L277-N281 VanDerWaalsContact O-N 3.08Å; L277-M282 WeakPolarHBondContact CA-O 3.37Å; L277-M282 HydrophobicContact CB-CB 4.38Å; L277-M282 WeakPolarHBondContact CB-O 3.32Å; L277-M282 HydrophobicContact CD1-CE 3.37Å; L277-M282 PolarHBondContact N-O 2.82Å; L277-M282 PolarHBondContact O-N 2.83Å; L277-M282 VanDerWaalsContact O-N 3.13Å
278P88.8Confident94.5Very high74 Ų7452.3 Ų52.348%0.48127%0.273SS..G310 helixtrans-64.3-35.5-174.123.6-33.9000112.6D276 A280 N281D276-P278 VanDerWaalsContact O-CD 3.26Å; D276-P278 WeakPolarHBondContact O-CD 3.23Å; P278-A280 PolarHBondContact O-N 3.3Å; P278-N281 PolarHBondContact O-N 2.95Å; P278-N281 PolarHBondContact O-OD1 3.42Å
279E87.5Confident94.5Very high193 Ų19352.4 Ų52.490%0.90227%0.273SS*.G310 helixtrans-60.8-30.7177-64.5179.3-177.300112.4L277L277-E279 VanDerWaalsContact C-N 3.32Å; L277-E279 PolarHBondContact O-N 2.94Å
280A87.8Confident94.3Very high36 Ų3653.6 Ų53.630%0.29828%0.278SS..G310 helixtrans-101.37.5177.200000112.5L277 P278 M282 K300L277-A280 HydrophobicContact CB-CB 4.32Å; L277-A280 CarbonylContact O-C 3.45Å; L277-A280 PolarHBondContact O-N 3.12Å; L277-A280 VanDerWaalsContact O-N 3.11Å; P278-A280 PolarHBondContact O-N 3.3Å; A280-M282 HydrophobicContact CB-CB 4.08Å; A280-M282 WeakPolarHBondContact O-CB 3.45Å; A280-M282 PolarHBondContact O-N 3.03Å; A280-M282 VanDerWaalsContact O-N 3.15Å; A280-K300 WeakPolarHBondContact O-CD 3.46Å; A280-K300 WeakPolarHBondContact O-CE 3.44Å; A280-K300 PolarHBondContact O-NZ 2.8Å
281N91.3Very high94.1Very high70 Ų7057.6 Ų57.637%0.37429%0.291SS..THydrogen-bonded Turntrans47.142.7-175.7-69.6-40000113.1L277 P278 R301L277-N281 PolarHBondContact O-N 2.81Å; L277-N281 VanDerWaalsContact O-N 3.08Å; P278-N281 PolarHBondContact O-N 2.95Å; P278-N281 PolarHBondContact O-OD1 3.42Å; N281-R301 HydrophobicContact CB-CB 4.24Å; N281-R301 PolarHBondContact O-N 3.38Å
282M93.3Very high93.8Very high43 Ų4356.6 Ų56.621%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-136.1137.9-165.8-174173.983.600111.4L277 A280 L298 E299 K300L277-M282 WeakPolarHBondContact CA-O 3.37Å; L277-M282 HydrophobicContact CB-CB 4.38Å; L277-M282 WeakPolarHBondContact CB-O 3.32Å; L277-M282 HydrophobicContact CD1-CE 3.37Å; L277-M282 PolarHBondContact N-O 2.82Å; L277-M282 PolarHBondContact O-N 2.83Å; L277-M282 VanDerWaalsContact O-N 3.13Å; A280-M282 HydrophobicContact CB-CB 4.08Å; A280-M282 WeakPolarHBondContact O-CB 3.45Å; A280-M282 PolarHBondContact O-N 3.03Å; A280-M282 VanDerWaalsContact O-N 3.15Å; M282-L298 HydrophobicContact CE-CD1 3.89Å; M282-L298 HydrophobicContact CG-CD1 3.29Å; M282-L298 HydrophobicContact CG-CG 4.09Å; M282-L298 HydrophobicContact SD-CD1 3.33Å; M282-L298 WeakPolarHBondContact SD-CD1 3.42Å; M282-L298 HydrophobicContact SD-CD2 3.82Å; M282-L298 HydrophobicContact SD-CG 3.96Å; M282-E299 CarbonylContact C-O 3.56Å; M282-E299 VanDerWaalsContact CA-O 3.32Å; M282-E299 WeakPolarHBondContact CA-O 3.3Å; M282-K300 HydrophobicContact CB-CD 4.07Å; M282-K300 HydrophobicContact CG-CD 4.36Å
283V95.1Very high93.7Very high21 Ų2158 Ų5813%0.12730%0.302CS..EExtended strand (participates in β ladder)trans-122.6123.8173.4-178.50000108.2Q274 M275 R285 E299Q274-V283 HydrophobicContact CG-CG1 3.88Å; M275-V283 WeakPolarHBondContact O-CA 3.29Å; V283-R285 HydrophobicContact CG1-CG 4.41Å; V283-E299 HydrophobicContact CB-CB 4.42Å; V283-E299 PolarHBondContact N-O 2.92Å; V283-E299 PolarHBondContact O-N 3.01Å
284F96.4Very high93.7Very high61 Ų6158.3 Ų58.327%0.26831%0.307SS..EExtended strand (participates in β ladder)trans-108.5135.4173.2-178.7-88.5000109.7Y273 Q274 M275 V297 L298Y273-F284 AromaticContact CE2-CD1 3.7Å; Y273-F284 HydrophobicContact CE2-CD1 3.7Å; Y273-F284 AromaticContact CE2-CE1 3.73Å; Y273-F284 HydrophobicContact CE2-CE1 3.73Å; Y273-F284 AromaticContact CZ-CE1 3.59Å; Y273-F284 WeakPolarHBondContact OH-CE1 3.2Å; Q274-F284 CarbonylContact C-O 3.49Å; Q274-F284 WeakPolarHBondContact CA-O 3.42Å; M275-F284 HydrophobicContact CB-CB 4.5Å; M275-F284 PolarHBondContact N-O 2.84Å; M275-F284 PolarHBondContact O-N 2.77Å; F284-V297 WeakPolarHBondContact CA-O 3.47Å; F284-L298 HydrophobicContact CB-CD1 3.9Å; F284-L298 HydrophobicContact CD2-CB 4.3Å; F284-L298 HydrophobicContact CD2-CD1 3.94Å; F284-L298 HydrophobicContact CG-CD1 4.43Å
285R97.1Very high93.7Very high34 Ų3457.9 Ų57.913%0.12831%0.308CS..EExtended strand (participates in β ladder)trans-124.4125.8175.3-64.5168.4177.4-75.92.4108.2D62 V63 P65 Y273 Q274 V283 G296 V297D62-R285 PolarHBondContact O-NH1 2.93Å; D62-R285 PolarHBondContact O-NH2 2.91Å; V63-R285 PolarHBondContact O-NH1 2.81Å; P65-R285 HydrophobicContact CB-CB 3.74Å; P65-R285 HydrophobicContact CG-CB 4.49Å; Y273-R285 CarbonylContact O-C 3.59Å; Y273-R285 WeakPolarHBondContact O-CA 3.2Å; Q274-R285 HydrophobicContact CB-CG 4.32Å; Q274-R285 HydrophobicContact CG-CG 4.06Å; Q274-R285 VanDerWaalsContact OE1-CZ 3.23Å; Q274-R285 VanDerWaalsContact OE1-NH2 3.12Å; V283-R285 HydrophobicContact CG1-CG 4.41Å; R285-G296 CarbonylContact O-C 3.54Å; R285-G296 WeakPolarHBondContact O-CA 3.39Å; R285-V297 PolarHBondContact N-O 3.06Å; R285-V297 PolarHBondContact O-N 2.78Å
286G96.9Very high93.7Very high2 Ų255 Ų552%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-121.3152.4178.100000111.3G272 Y273 G295G272-G286 CarbonylContact C-O 3.57Å; G272-G286 VanDerWaalsContact CA-O 3.25Å; G272-G286 WeakPolarHBondContact CA-O 3.44Å; Y273-G286 PolarHBondContact N-O 3.42Å; Y273-G286 PolarHBondContact O-N 2.94Å; G286-G295 CarbonylContact C-O 3.57Å; G286-G295 WeakPolarHBondContact CA-O 3.43Å
287M96.8Very high93.8Very high25 Ų2552.2 Ų52.212%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-145.8154.4170.469.5177.8-70.500113.1F64 P65 F271 I294 G295 F314F64-M287 HydrophobicContact CD1-CB 3.91Å; F64-M287 HydrophobicContact CD1-CE 4.34Å; F64-M287 HydrophobicContact CD1-SD 4.43Å; F64-M287 HydrophobicContact CE1-CB 4.36Å; P65-M287 HydrophobicContact CG-CB 3.89Å; P65-M287 HydrophobicContact CG-CG 3.54Å; P65-M287 HydrophobicContact CG-SD 3.78Å; F271-M287 CarbonylContact O-C 3.57Å; F271-M287 WeakPolarHBondContact O-CA 3.37Å; M287-I294 WeakPolarHBondContact O-CA 3.38Å; M287-G295 PolarHBondContact N-O 2.86Å; M287-G295 PolarHBondContact O-N 2.83Å; M287-F314 HydrophobicContact CG-CE1 4.2Å; M287-F314 HydrophobicContact SD-CE1 3.84Å
288I96.4Very high94Very high80 Ų8050.8 Ų50.841%0.4128%0.275SS..EExtended strand (participates in β ladder)trans-138.7140.8167.8-177.7165.2000108.7S270 F271 I293 I294S270-I288 WeakPolarHBondContact CA-O 3.33Å; F271-I288 HydrophobicContact CB-CG2 3.89Å; F271-I288 HydrophobicContact CD1-CG2 4.08Å; F271-I288 HydrophobicContact CG-CG2 4.42Å; F271-I288 PolarHBondContact N-O 2.83Å; F271-I288 PolarHBondContact O-N 2.76Å; I288-I293 WeakPolarHBondContact CA-O 3.45Å; I288-I294 HydrophobicContact CB-CG1 4.45Å; I288-I294 HydrophobicContact CD1-CD1 4.08Å; I288-I294 HydrophobicContact CD1-CG1 3.98Å; I288-I294 HydrophobicContact CG1-CG1 3.95Å
289N94.5Very high94.3Very high23 Ų2350.1 Ų50.112%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-125.7167.3175.271.515.8000113T268 A269 R291 C292 I293T268-N289 HydrophobicContact CG2-CB 4.42Å; A269-N289 CarbonylContact O-C 3.56Å; A269-N289 WeakPolarHBondContact O-CA 3.31Å; N289-R291 PolarHBondContact O-N 2.88Å; N289-R291 VanDerWaalsContact O-N 3.13Å; N289-R291 WeakPolarHBondContact OD1-CA 3.41Å; N289-R291 WeakPolarHBondContact OD1-CB 3.23Å; N289-R291 PolarHBondContact OD1-N 2.79Å; N289-R291 VanDerWaalsContact OD1-N 3.09Å; N289-C292 PolarHBondContact O-N 3.1Å; N289-C292 PolarHBondContact OD1-N 2.82Å; N289-I293 PolarHBondContact N-O 2.78Å; N289-I293 WeakPolarHBondContact OD1-CA 3Å; N289-I293 VanDerWaalsContact OD1-CB 3.3Å; N289-I293 WeakPolarHBondContact OD1-CB 3.25Å; N289-I293 PolarHBondContact OD1-N 2.8Å; N289-I293 PolarHBondContact OD1-O 3.15Å
290S94Very high94.7Very high68 Ų6844.2 Ų44.248%0.47624%0.236SC..THydrogen-bonded Turntrans-65.2-10.9177.761.10000114.1A269A269-S290 PolarHBondContact N-OG 2.8Å; A269-S290 VanDerWaalsContact N-OG 3.1Å; A269-S290 PolarHBondContact O-N 3.23Å
291R90.8Very high94.9Very high101 Ų10149.3 Ų49.338%0.38125%0.248SC..THydrogen-bonded Turntrans-87.19.2173.3-59.8-178.8-174.3-157.5-8112.5E266 T268 N289 I293E266-R291 IonicContact OE2-CZ 3.91Å; E266-R291 IonicContact OE2-NH1 2.72Å; E266-R291 IonicContact OE2-NH2 3.49Å; E266-R291 PolarHBondContact OE2-NH2 3.41Å; T268-R291 PolarHBondContact OG1-NE 3.46Å; T268-R291 PolarHBondContact OG1-NH2 3.06Å; T268-R291 VanDerWaalsContact OG1-NH2 3.15Å; N289-R291 PolarHBondContact O-N 2.88Å; N289-R291 VanDerWaalsContact O-N 3.13Å; N289-R291 WeakPolarHBondContact OD1-CA 3.41Å; N289-R291 WeakPolarHBondContact OD1-CB 3.23Å; N289-R291 PolarHBondContact OD1-N 2.79Å; N289-R291 VanDerWaalsContact OD1-N 3.09Å; R291-I293 HydrophobicContact CB-CD1 4.4Å; R291-I293 HydrophobicContact CB-CG1 4.21Å; R291-I293 PolarHBondContact O-N 2.88Å
292C92.4Very high94.9Very high66 Ų6649.2 Ų49.245%0.44625%0.247SC..SBendtrans59.732-175.7-53.60000113N289 H317N289-C292 PolarHBondContact O-N 3.1Å; N289-C292 PolarHBondContact OD1-N 2.82Å; C292-H317 HydrophobicContact CB-CB 4.15Å; C292-H317 PolarHBondContact O-CD2 2.8Å; C292-H317 PolarHBondContact O-N 3.08Å
293I94.2Very high94.5Very high31 Ų3152.2 Ų52.216%0.15927%0.268CS..EExtended strand (participates in β ladder)trans-92.5122.3168.5-50.3179.5000107.4I288 N289 R291 V315 N316I288-I293 WeakPolarHBondContact CA-O 3.45Å; N289-I293 PolarHBondContact N-O 2.78Å; N289-I293 WeakPolarHBondContact OD1-CA 3Å; N289-I293 VanDerWaalsContact OD1-CB 3.3Å; N289-I293 WeakPolarHBondContact OD1-CB 3.25Å; N289-I293 PolarHBondContact OD1-N 2.8Å; N289-I293 PolarHBondContact OD1-O 3.15Å; R291-I293 HydrophobicContact CB-CD1 4.4Å; R291-I293 HydrophobicContact CB-CG1 4.21Å; R291-I293 PolarHBondContact O-N 2.88Å; I293-V315 CarbonylContact C-O 3.56Å; I293-V315 VanDerWaalsContact CA-O 3.29Å; I293-V315 WeakPolarHBondContact CA-O 3.36Å; I293-N316 HydrophobicContact CG1-CB 4.05Å
294I95.9Very high94Very high74 Ų7457.6 Ų57.638%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-117134.9175.6-57.9177.8000106.8M287 I288 F314 V315M287-I294 WeakPolarHBondContact O-CA 3.38Å; I288-I294 HydrophobicContact CB-CG1 4.45Å; I288-I294 HydrophobicContact CD1-CD1 4.08Å; I288-I294 HydrophobicContact CD1-CG1 3.98Å; I288-I294 HydrophobicContact CG1-CG1 3.95Å; I294-F314 CarbonylContact O-C 3.49Å; I294-F314 WeakPolarHBondContact O-CA 3.36Å; I294-V315 PolarHBondContact N-O 3.49Å; I294-V315 PolarHBondContact O-N 2.88Å
295G95.8Very high93.5Very high11 Ų1160 Ų6011%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-161.1168175.100000113.3G286 M287 A313G286-G295 CarbonylContact C-O 3.57Å; G286-G295 WeakPolarHBondContact CA-O 3.43Å; M287-G295 PolarHBondContact N-O 2.86Å; M287-G295 PolarHBondContact O-N 2.83Å; G295-A313 CarbonylContact C-O 3.54Å; G295-A313 WeakPolarHBondContact CA-O 3.26Å
296G96.6Very high93.1Very high12 Ų1262.6 Ų62.612%0.12434%0.339CS..EExtended strand (participates in β ladder)trans-158.8159.3176.600000112.2R285 G312 A313R285-G296 CarbonylContact O-C 3.54Å; R285-G296 WeakPolarHBondContact O-CA 3.39Å; G296-G312 VanDerWaalsContact O-CA 3.3Å; G296-G312 WeakPolarHBondContact O-CA 3.31Å; G296-A313 PolarHBondContact N-O 2.69Å; G296-A313 PolarHBondContact O-N 2.85Å
297V96.9Very high92.9Very high1 Ų163 Ų631%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-129.4129.7176.7174.90000108.7P65 H66 I68 F284 R285 E299 I310 M311 F314P65-V297 HydrophobicContact CB-CB 3.95Å; P65-V297 HydrophobicContact CB-CG2 3.72Å; H66-V297 VanDerWaalsContact O-CG2 3.22Å; H66-V297 WeakPolarHBondContact O-CG2 3.34Å; I68-V297 HydrophobicContact CD1-CG1 4.12Å; I68-V297 HydrophobicContact CD1-CG2 4.36Å; F284-V297 WeakPolarHBondContact CA-O 3.47Å; R285-V297 PolarHBondContact N-O 3.06Å; R285-V297 PolarHBondContact O-N 2.78Å; V297-E299 HydrophobicContact CG1-CG 4.22Å; V297-I310 HydrophobicContact CG1-CG2 3.57Å; V297-M311 CarbonylContact C-O 3.51Å; V297-M311 VanDerWaalsContact CA-O 3.3Å; V297-M311 WeakPolarHBondContact CA-O 3.08Å; V297-F314 HydrophobicContact CG2-CE2 4.01Å; V297-F314 HydrophobicContact CG2-CZ 4.07Å
298L96.1Very high92.7Very high41 Ų4163.3 Ų63.322%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-107.1118172.8-172.662.6000109.7M282 F284 I310 M311M282-L298 HydrophobicContact CE-CD1 3.89Å; M282-L298 HydrophobicContact CG-CD1 3.29Å; M282-L298 HydrophobicContact CG-CG 4.09Å; M282-L298 HydrophobicContact SD-CD1 3.33Å; M282-L298 WeakPolarHBondContact SD-CD1 3.42Å; M282-L298 HydrophobicContact SD-CD2 3.82Å; M282-L298 HydrophobicContact SD-CG 3.96Å; F284-L298 HydrophobicContact CB-CD1 3.9Å; F284-L298 HydrophobicContact CD2-CB 4.3Å; F284-L298 HydrophobicContact CD2-CD1 3.94Å; F284-L298 HydrophobicContact CG-CD1 4.43Å; L298-I310 CarbonylContact O-C 3.56Å; L298-I310 WeakPolarHBondContact O-CA 3.34Å; L298-M311 HydrophobicContact CD2-CE 3.77Å; L298-M311 HydrophobicContact CG-CE 4.43Å; L298-M311 PolarHBondContact N-O 2.82Å; L298-M311 PolarHBondContact O-N 3.26Å
299E95.4Very high92.6Very high60 Ų6061.5 Ų61.528%0.2834%0.337SS..EExtended strand (participates in β ladder)trans-104.2116.6171.3-65.5176.3-16400108.5M282 V283 V297 T308 L309 I310M282-E299 CarbonylContact C-O 3.56Å; M282-E299 VanDerWaalsContact CA-O 3.32Å; M282-E299 WeakPolarHBondContact CA-O 3.3Å; V283-E299 HydrophobicContact CB-CB 4.42Å; V283-E299 PolarHBondContact N-O 2.92Å; V283-E299 PolarHBondContact O-N 3.01Å; V297-E299 HydrophobicContact CG1-CG 4.22Å; E299-T308 HydrophobicContact CB-CG2 4.36Å; E299-L309 CarbonylContact C-O 3.59Å; E299-L309 WeakPolarHBondContact CA-O 3.07Å; E299-I310 HydrophobicContact CG-CG1 4.23Å; E299-I310 HydrophobicContact CG-CG2 4.03Å
300K94.8Very high92.7Very high68 Ų6861.7 Ų61.730%0.29634%0.338SS..EExtended strand (participates in β ladder)trans-117.5116.5178.3175.668.2177.3-165.30108.8A280 M282 L302 T308 L309A280-K300 WeakPolarHBondContact O-CD 3.46Å; A280-K300 WeakPolarHBondContact O-CE 3.44Å; A280-K300 PolarHBondContact O-NZ 2.8Å; M282-K300 HydrophobicContact CB-CD 4.07Å; M282-K300 HydrophobicContact CG-CD 4.36Å; K300-L302 HydrophobicContact CG-CD2 4.23Å; K300-L302 PolarHBondContact O-N 3.06Å; K300-T308 WeakPolarHBondContact O-CA 3.37Å; K300-L309 PolarHBondContact N-O 3.19Å; K300-L309 PolarHBondContact O-N 3.16Å
301R92.9Very high92.8Very high143 Ų14362.1 Ų62.154%0.5433%0.333SS..EExtended strand (participates in β ladder)trans-76.5124169.9-61.2-179.8-179.5170.91.8108.1N281 T308N281-R301 HydrophobicContact CB-CB 4.24Å; N281-R301 PolarHBondContact O-N 3.38Å; R301-T308 HydrophobicContact CG-CG2 4.22Å
302L90.1Very high93Very high69 Ų6957.5 Ų57.536%0.36132%0.317SS..EExtended strand (participates in β ladder)trans-82.9135.6175.9-57.2176.3000107.2K300 A307 L309K300-L302 HydrophobicContact CG-CD2 4.23Å; K300-L302 PolarHBondContact O-N 3.06Å; L302-A307 WeakPolarHBondContact CB-O 3.34Å; L302-A307 HydrophobicContact CD1-CB 4.33Å; L302-A307 PolarHBondContact N-O 2.95Å; L302-L309 HydrophobicContact CD1-CB 4.47Å
303T85.2Confident93.2Very high105 Ų10556.4 Ų56.464%0.64431%0.313SS*.THydrogen-bonded Turntrans-121.3130.5171.347.80000106.3
304P84.2Confident93.2Very high134 Ų13455.1 Ų55.187%0.8731%0.306SS*.THydrogen-bonded Turncis-95.4-0.517.936.4-36.8000116.6
305L87Confident93.1Very high113 Ų11354 Ų5459%0.59230%0.302SS*.THydrogen-bonded Turntrans-75.9140.9-176.6-65166.4000111.2A307L305-A307 HydrophobicContact CB-CB 4.27Å; L305-A307 PolarHBondContact O-N 3.49Å
306P88Confident93Very high87 Ų8755.5 Ų55.557%0.56531%0.308SS*.THydrogen-bonded Turntrans-75.162.3172.333.7-36000110.4G331P306-G331 PolarHBondContact O-N 3.4Å
307A92.3Very high92.7Very high12 Ų1260.5 Ų60.510%0.09933%0.328CS..EExtended strand (participates in β ladder)trans-135137.7-175.800000110.7L302 L305 N329 V330L302-A307 WeakPolarHBondContact CB-O 3.34Å; L302-A307 HydrophobicContact CD1-CB 4.33Å; L302-A307 PolarHBondContact N-O 2.95Å; L305-A307 HydrophobicContact CB-CB 4.27Å; L305-A307 PolarHBondContact O-N 3.49Å; A307-N329 CarbonylContact C-O 3.54Å; A307-N329 VanDerWaalsContact CA-O 3.26Å; A307-N329 WeakPolarHBondContact CA-O 3.47Å; A307-V330 HydrophobicContact CB-CG2 4.45Å
308T93.8Very high92.4Very high30 Ų3070.9 Ų70.918%0.18437%0.367CS..EExtended strand (participates in β ladder)trans-115.4119.7173.4-54.50000108.8E299 K300 R301 I310 N329E299-T308 HydrophobicContact CB-CG2 4.36Å; K300-T308 WeakPolarHBondContact O-CA 3.37Å; R301-T308 HydrophobicContact CG-CG2 4.22Å; T308-I310 HydrophobicContact CG2-CG1 4.32Å; T308-N329 PolarHBondContact N-O 2.83Å; T308-N329 PolarHBondContact O-N 2.98Å
309L94.8Very high92Very high42 Ų4270.8 Ų70.822%0.2238%0.376CS..EExtended strand (participates in β ladder)trans-83.3133.5170.7-175.567.9000108.8E299 K300 L302 M311 L326 V328E299-L309 CarbonylContact C-O 3.59Å; E299-L309 WeakPolarHBondContact CA-O 3.07Å; K300-L309 PolarHBondContact N-O 3.19Å; K300-L309 PolarHBondContact O-N 3.16Å; L302-L309 HydrophobicContact CD1-CB 4.47Å; L309-M311 HydrophobicContact CD2-CE 3.93Å; L309-M311 HydrophobicContact CD2-CG 4.38Å; L309-M311 HydrophobicContact CD2-SD 3.96Å; L309-M311 HydrophobicContact CG-CG 4.26Å; L309-M311 HydrophobicContact CG-SD 4.48Å; L309-L326 HydrophobicContact CD1-CD1 3.83Å; L309-V328 HydrophobicContact CD1-CG2 3.92Å
310I95.6Very high91.7Very high27 Ų2775.1 Ų75.114%0.13840%0.401CS..EExtended strand (participates in β ladder)trans-123.8124.6179.3-48.3178.3000107.4I68 V297 L298 E299 T308 L326 G327I68-I310 HydrophobicContact CD1-CB 4.3Å; I68-I310 HydrophobicContact CD1-CG2 3.24Å; V297-I310 HydrophobicContact CG1-CG2 3.57Å; L298-I310 CarbonylContact O-C 3.56Å; L298-I310 WeakPolarHBondContact O-CA 3.34Å; E299-I310 HydrophobicContact CG-CG1 4.23Å; E299-I310 HydrophobicContact CG-CG2 4.03Å; T308-I310 HydrophobicContact CG2-CG1 4.32Å; I310-L326 CarbonylContact O-C 3.57Å; I310-G327 PolarHBondContact N-O 3.35Å; I310-G327 PolarHBondContact O-N 2.56Å
311M96Very high91.5Very high77 Ų7779.1 Ų79.138%0.37942%0.418SS..EExtended strand (participates in β ladder)trans-127.1123.6178.5-68.7175.9-65.100108.6V297 L298 L309 L326V297-M311 CarbonylContact C-O 3.51Å; V297-M311 VanDerWaalsContact CA-O 3.3Å; V297-M311 WeakPolarHBondContact CA-O 3.08Å; L298-M311 HydrophobicContact CD2-CE 3.77Å; L298-M311 HydrophobicContact CG-CE 4.43Å; L298-M311 PolarHBondContact N-O 2.82Å; L298-M311 PolarHBondContact O-N 3.26Å; L309-M311 HydrophobicContact CD2-CE 3.93Å; L309-M311 HydrophobicContact CD2-CG 4.38Å; L309-M311 HydrophobicContact CD2-SD 3.96Å; L309-M311 HydrophobicContact CG-CG 4.26Å; L309-M311 HydrophobicContact CG-SD 4.48Å; M311-L326 HydrophobicContact CG-CD1 3.51Å; M311-L326 HydrophobicContact SD-CD1 4.38Å
312G95.8Very high91.4Very high4 Ų478.1 Ų78.14%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-127.3142.1-178.300000111.8G296 V324 G325G296-G312 VanDerWaalsContact O-CA 3.3Å; G296-G312 WeakPolarHBondContact O-CA 3.31Å; G312-V324 WeakPolarHBondContact O-CA 3.17Å; G312-G325 PolarHBondContact N-O 3.21Å; G312-G325 PolarHBondContact O-N 2.94Å
313A95.3Very high91.5Very high44 Ų4477.4 Ų77.436%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-142134.9170.900000110G295 G296 Q323 V324G295-A313 CarbonylContact C-O 3.54Å; G295-A313 WeakPolarHBondContact CA-O 3.26Å; G296-A313 PolarHBondContact N-O 2.69Å; G296-A313 PolarHBondContact O-N 2.85Å; A313-Q323 CarbonylContact C-O 3.55Å; A313-Q323 WeakPolarHBondContact CA-O 3.22Å; A313-V324 HydrophobicContact CB-CG2 4.26Å
314F94.8Very high91.9Very high4 Ų476.4 Ų76.42%0.01841%0.412CS..EExtended strand (participates in β ladder)trans-132.9127.5178.4-65.6-98000109P65 Q67 M287 I294 V297 Q323P65-F314 HydrophobicContact CB-CE1 4.49Å; P65-F314 HydrophobicContact CB-CZ 4Å; P65-F314 HydrophobicContact CG-CE1 4.03Å; P65-F314 HydrophobicContact CG-CZ 4.05Å; Q67-F314 HydrophobicContact CB-CE2 4.18Å; Q67-F314 HydrophobicContact CB-CZ 4.24Å; Q67-F314 HydrophobicContact CG-CD1 3.82Å; Q67-F314 HydrophobicContact CG-CD2 4.08Å; Q67-F314 HydrophobicContact CG-CE1 3.56Å; Q67-F314 HydrophobicContact CG-CE2 3.87Å; Q67-F314 HydrophobicContact CG-CG 4.07Å; Q67-F314 HydrophobicContact CG-CZ 3.59Å; M287-F314 HydrophobicContact CG-CE1 4.2Å; M287-F314 HydrophobicContact SD-CE1 3.84Å; I294-F314 CarbonylContact O-C 3.49Å; I294-F314 WeakPolarHBondContact O-CA 3.36Å; V297-F314 HydrophobicContact CG2-CE2 4.01Å; V297-F314 HydrophobicContact CG2-CZ 4.07Å; F314-Q323 HydrophobicContact CB-CB 4.38Å; F314-Q323 PolarHBondContact N-O 3.09Å; F314-Q323 PolarHBondContact O-N 3.3Å
315V94.4Very high92.4Very high49 Ų4970.2 Ų70.230%0.29737%0.372SS..EExtended strand (participates in β ladder)trans-118.7121.2-178.7-1760000108I293 I294 L322I293-V315 CarbonylContact C-O 3.56Å; I293-V315 VanDerWaalsContact CA-O 3.29Å; I293-V315 WeakPolarHBondContact CA-O 3.36Å; I294-V315 PolarHBondContact N-O 3.49Å; I294-V315 PolarHBondContact O-N 2.88Å; V315-L322 HydrophobicContact CG2-CD1 3.68Å
316N93.2Very high92.8Very high43 Ų4368.5 Ų68.523%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-96.1102.1167.7-179-10.5000108.8I293 R318 G319 D320 K321I293-N316 HydrophobicContact CG1-CB 4.05Å; N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 2.79Å; N316-R318 PolarHBondContact OD1-N 2.92Å; N316-R318 VanDerWaalsContact OD1-N 3.08Å; N316-G319 PolarHBondContact OD1-N 2.93Å; N316-D320 WeakPolarHBondContact O-CA 3.47Å; N316-D320 PolarHBondContact O-N 2.95Å; N316-K321 HydrophobicContact CB-CB 4.41Å; N316-K321 PolarHBondContact N-O 3.07Å; N316-K321 PolarHBondContact O-N 2.92Å
317H90.7Very high93.1Very high117 Ų11764.6 Ų64.654%0.54234%0.338SS..THydrogen-bonded Turntrans-68.2-28.7-178.4-71.9-72.9000113.5C292C292-H317 HydrophobicContact CB-CB 4.15Å; C292-H317 PolarHBondContact O-CD2 2.8Å; C292-H317 PolarHBondContact O-N 3.08Å
318R89.9Confident93.2Very high219 Ų21966.5 Ų66.583%0.82635%0.348SS*.THydrogen-bonded Turntrans-78.7-36.3-179.3-173.9174.9-179.8174.2-0.3112N316N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 2.79Å; N316-R318 PolarHBondContact OD1-N 2.92Å; N316-R318 VanDerWaalsContact OD1-N 3.08Å
319G87.5Confident93.2Very high39 Ų3967.2 Ų67.240%0.40235%0.351SS..THydrogen-bonded Turntrans-94.9-3.9-179.300000114.7N316 K321N316-G319 PolarHBondContact OD1-N 2.93Å; G319-K321 VanDerWaalsContact C-N 3.33Å; G319-K321 PolarHBondContact O-N 3.19Å
320D89.8Confident93.1Very high152 Ų15267.7 Ų67.781%0.81336%0.356SS*.THydrogen-bonded Turntrans48.450.8-173-160.226.6000113.1N316N316-D320 WeakPolarHBondContact O-CA 3.47Å; N316-D320 PolarHBondContact O-N 2.95Å
321K90.8Very high92.2Very high152 Ų15270.5 Ų70.566%0.66139%0.391SS*.EExtended strand (participates in β ladder)trans-121.4129.7179.5-68.1-175.9-177.2-176.60110.5N316 G319N316-K321 HydrophobicContact CB-CB 4.41Å; N316-K321 PolarHBondContact N-O 3.07Å; N316-K321 PolarHBondContact O-N 2.92Å; G319-K321 VanDerWaalsContact C-N 3.33Å; G319-K321 PolarHBondContact O-N 3.19Å
322L90.8Very high92Very high122 Ų12270.2 Ų70.264%0.63939%0.391SS*.EExtended strand (participates in β ladder)trans-108.8129172.617367.6000109.1V315 V324V315-L322 HydrophobicContact CG2-CD1 3.68Å; L322-V324 HydrophobicContact CD1-CG2 3.71Å; L322-V324 HydrophobicContact CD2-CG2 4Å; L322-V324 HydrophobicContact CG-CG2 3.77Å
323Q91.8Very high91.8Very high53 Ų5373.6 Ų73.625%0.24841%0.41CS..EExtended strand (participates in β ladder)trans-120.2119.5172.8-167.5-177.718.800108.1E69 A313 F314E69-Q323 HydrophobicContact CB-CG 3.99Å; E69-Q323 HydrophobicContact CG-CG 3.77Å; E69-Q323 PolarHBondContact OE2-NE2 3Å; A313-Q323 CarbonylContact C-O 3.55Å; A313-Q323 WeakPolarHBondContact CA-O 3.22Å; F314-Q323 HydrophobicContact CB-CB 4.38Å; F314-Q323 PolarHBondContact N-O 3.09Å; F314-Q323 PolarHBondContact O-N 3.3Å
324V93.7Very high91.7Very high85 Ų8575.3 Ų75.352%0.51541%0.412SS..EExtended strand (participates in β ladder)trans-122.4141.2179.3-179.40000108.7G70 G312 A313 L322G70-V324 PolarHBondContact N-O 3.15Å; G312-V324 WeakPolarHBondContact O-CA 3.17Å; A313-V324 HydrophobicContact CB-CG2 4.26Å; L322-V324 HydrophobicContact CD1-CG2 3.71Å; L322-V324 HydrophobicContact CD2-CG2 4Å; L322-V324 HydrophobicContact CG-CG2 3.77Å
325G94.1Very high91.5Very high3 Ų379.5 Ų79.53%0.03144%0.436CS..EExtended strand (participates in β ladder)trans-136.1138.2179.600000111.8I68 G70 G312I68-G325 PolarHBondContact O-N 3.47Å; G70-G325 CarbonylContact O-C 3.46Å; G70-G325 VanDerWaalsContact O-CA 3.29Å; G70-G325 WeakPolarHBondContact O-CA 3.47Å; G312-G325 PolarHBondContact N-O 3.21Å; G312-G325 PolarHBondContact O-N 2.94Å
326L95.5Very high91.3Very high78 Ų7881.4 Ų81.441%0.40844%0.444SS..EExtended strand (participates in β ladder)trans-118.8132.4168.4-175.668.7000108.1G70 V71 K72 L309 I310 M311G70-L326 PolarHBondContact O-N 3.43Å; V71-L326 CarbonylContact C-O 3.58Å; V71-L326 VanDerWaalsContact CA-O 3.23Å; V71-L326 WeakPolarHBondContact CA-O 3.14Å; K72-L326 PolarHBondContact N-O 3.43Å; L309-L326 HydrophobicContact CD1-CD1 3.83Å; I310-L326 CarbonylContact O-C 3.57Å; M311-L326 HydrophobicContact CG-CD1 3.51Å; M311-L326 HydrophobicContact SD-CD1 4.38Å
327G94.3Very high91.2Very high4 Ų483.9 Ų83.94%0.04146%0.459CS..EExtended strand (participates in β ladder)trans-133.3147.2176.900000112.2K72 I310K72-G327 CarbonylContact O-C 3.54Å; K72-G327 WeakPolarHBondContact O-CA 3.2Å; I310-G327 PolarHBondContact N-O 3.35Å; I310-G327 PolarHBondContact O-N 2.56Å
328V94.9Very high91.2Very high52 Ų5281.6 Ų81.632%0.31545%0.453SS..EExtended strand (participates in β ladder)trans-129.1122.4171.3-176.80000107.7K72 M73 I74 L309 V330K72-V328 PolarHBondContact O-N 2.97Å; M73-V328 CarbonylContact C-O 3.53Å; M73-V328 WeakPolarHBondContact CA-O 3.46Å; I74-V328 PolarHBondContact N-O 2.95Å; L309-V328 HydrophobicContact CD1-CG2 3.92Å; V328-V330 HydrophobicContact CG1-CG2 3.81Å
329N93.4Very high91.3Very high46 Ų4671 Ų7125%0.24642%0.424CS..EExtended strand (participates in β ladder)trans-105.4120.4171.1-175.65.9000108.8I74 N76 A307 T308I74-N329 HydrophobicContact CB-CB 4.4Å; I74-N329 CarbonylContact O-C 3.53Å; I74-N329 VanDerWaalsContact O-CA 3.32Å; I74-N329 WeakPolarHBondContact O-CA 3.23Å; I74-N329 PolarHBondContact O-OD1 3.13Å; N76-N329 PolarHBondContact ND2-OD1 3.44Å; A307-N329 CarbonylContact C-O 3.54Å; A307-N329 VanDerWaalsContact CA-O 3.26Å; A307-N329 WeakPolarHBondContact CA-O 3.47Å; T308-N329 PolarHBondContact N-O 2.83Å; T308-N329 PolarHBondContact O-N 2.98Å
330V92Very high91.6Very high52 Ų5273.7 Ų73.732%0.31543%0.426SS..EExtended strand (participates in β ladder)trans-115.2125.4178.9-174.40000108.4I74 I75 N76 A307 V328I74-V330 PolarHBondContact O-N 3.09Å; I75-V330 CarbonylContact C-O 3.51Å; I75-V330 WeakPolarHBondContact CA-O 3.45Å; N76-V330 PolarHBondContact N-O 2.84Å; A307-V330 HydrophobicContact CB-CG2 4.45Å; V328-V330 HydrophobicContact CG1-CG2 3.81Å
331G78.3Confident91.8Very high85 Ų8566.5 Ų66.588%0.87639%0.391SS*.  trans169.60179.600000113.6N76 P306N76-G331 VanDerWaalsContact O-CA 3.27Å; N76-G331 WeakPolarHBondContact O-CA 3.39Å; P306-G331 PolarHBondContact O-N 3.4Å

Retrieved 331 of 331 residues in 474.8 ms (Link to these results)