A0A5K4F9W5_SCHMA Loading...

RanBD1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9W5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 399 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low68.3Low246 Ų246135.5 Ų135.5100%1.21269%0.694SS**  0100.10-117167.2-178.300108.4K3M1-K3 PolarHBondContact O-N 3.37Å
2A58.9Low69.6Low95 Ų95139.7 Ų139.779%0.78571%0.708SS**PPolyproline II helixtrans-70127.2174.800000108.8R4A2-R4 PolarHBondContact O-N 3.23Å
3K66.1Low70.8Confident211 Ų211140.5 Ų140.592%0.91772%0.716SS**PPolyproline II helixtrans-66.2116.5174-67.9179.1176.8179.10107.9M1M1-K3 PolarHBondContact O-N 3.37Å
4R59.6Low71.3Confident142 Ų142133.3 Ų133.354%0.53668%0.679SS.*PPolyproline II helixtrans-72150.6178.9-59.5-176.5178134.9-12.8110.1A2 L19A2-R4 PolarHBondContact O-N 3.23Å; R4-L19 HydrophobicContact CB-CD1 4.42Å; R4-L19 HydrophobicContact CG-CD1 4Å
5R70.6Confident71.9Confident163 Ų163137.3 Ų137.362%0.61568%0.683SS**PPolyproline II helixtrans-76155.7177.2-73.6-171.9176.5-177.34.9110.4D7R5-D7 WeakPolarHBondContact CB-OD1 3.28Å; R5-D7 PolarHBondContact O-N 3Å
6A71.5Confident72.6Confident109 Ų109138 Ų13890%0.90169%0.69SS**THydrogen-bonded Turntrans-76.8-1-177.900000114.2
7D75.7Confident72.8Confident109 Ų109136.7 Ų136.758%0.58369%0.686SS**THydrogen-bonded Turntrans-84.9-13.7-176.952.4-8.6000113.6R5R5-D7 WeakPolarHBondContact CB-OD1 3.28Å; R5-D7 PolarHBondContact O-N 3Å
8I73Confident72.7Confident78 Ų78137.6 Ų137.640%0.469%0.693SS.*SBendtrans-129.9107.6-179.2-66.9164.9000108.9N14 L19I8-N14 WeakPolarHBondContact CG2-ND2 3.44Å; I8-L19 HydrophobicContact CD1-CD2 3.86Å
9E73.9Confident72.3Confident175 Ų175135.2 Ų135.282%0.81868%0.682SS**  trans-69.8137.9171-69.2-171.9169.300110.4N14E9-N14 PolarHBondContact O-ND2 3.48Å
10L75.3Confident72Confident73 Ų73140.2 Ų140.238%0.38269%0.692SS.*  trans-83.1115.4169.2-90.7103.3000110.1W15L10-W15 HydrophobicContact CD2-CB 4.45Å; L10-W15 HydrophobicContact CD2-CG 4.37Å
11N81.8Confident71.6Confident90 Ų90139.6 Ų139.648%0.48170%0.697SS.*  trans-108.1171.2164.254.714000109.7D13 N14 W15N11-D13 PolarHBondContact O-N 3.49Å; N11-D13 VanDerWaalsContact O-N 3.1Å; N11-N14 PolarHBondContact O-N 3.37Å; N11-N14 VanDerWaalsContact O-N 3.15Å; N11-N14 WeakPolarHBondContact OD1-CB 3.2Å; N11-N14 PolarHBondContact OD1-N 3.43Å; N11-W15 PolarHBondContact O-N 2.98Å
12Q84.3Confident72.6Confident185 Ų185133.7 Ų133.786%0.86468%0.675SS**THydrogen-bonded Turntrans-58.1-24.1-178.1-172.2168-6.100112.9
13D84.1Confident72.8Confident151 Ų151135 Ų13581%0.80767%0.673SS**THydrogen-bonded Turntrans-87.9-23.4-179.2-58.4-33.9000113.8N11N11-D13 PolarHBondContact O-N 3.49Å; N11-D13 VanDerWaalsContact O-N 3.1Å
14N78.7Confident72.9Confident39 Ų39133.7 Ų133.721%0.20967%0.667CS.*SBendtrans-108.918.2-175.3-17432.9000112.8I8 E9 N11 D17I8-N14 WeakPolarHBondContact CG2-ND2 3.44Å; E9-N14 PolarHBondContact O-ND2 3.48Å; N11-N14 PolarHBondContact O-N 3.37Å; N11-N14 VanDerWaalsContact O-N 3.15Å; N11-N14 WeakPolarHBondContact OD1-CB 3.2Å; N11-N14 PolarHBondContact OD1-N 3.43Å; N14-D17 WeakPolarHBondContact OD1-CB 3.33Å; N14-D17 PolarHBondContact OD1-OD2 2.92Å
15W80.6Confident73.4Confident193 Ų193129.7 Ų129.773%0.73167%0.671SS**SBendtrans-68.9-37.9-178.8-172.7-56.8000112L10 N11L10-W15 HydrophobicContact CD2-CB 4.45Å; L10-W15 HydrophobicContact CD2-CG 4.37Å; N11-W15 PolarHBondContact O-N 2.98Å
16D82.7Confident73.7Confident149 Ų149129.7 Ų129.780%0.79768%0.683SS**SBendtrans-99.62.4-172.6-153.822.1000113.6D18D16-D18 PolarHBondContact O-N 2.97Å
17D76Confident73.7Confident116 Ų116134.4 Ų134.462%0.6268%0.683SS**  trans-75.8108.7177.8-103.11.2000109.2N14 L19N14-D17 WeakPolarHBondContact OD1-CB 3.33Å; N14-D17 PolarHBondContact OD1-OD2 2.92Å; D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 VanDerWaalsContact O-N 3.08Å
18D70.6Confident73.8Confident152 Ų152136.8 Ų136.881%0.81370%0.696SS**  trans-56.6115.1173.5-80.5-36.3000109.7D16 R20D16-D18 PolarHBondContact O-N 2.97Å; D18-R20 PolarHBondContact O-N 2.92Å
19L65.1Low74.3Confident93 Ų93141.9 Ų141.949%0.48772%0.715SS.*  trans-52100.5176.9-84163000109.7R4 I8 D17 T21R4-L19 HydrophobicContact CB-CD1 4.42Å; R4-L19 HydrophobicContact CG-CD1 4Å; I8-L19 HydrophobicContact CD1-CD2 3.86Å; D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 VanDerWaalsContact O-N 3.08Å; L19-T21 PolarHBondContact O-N 2.64Å
20R67.2Low74.6Confident235 Ų235135.5 Ų135.589%0.88769%0.692SS**  trans-62.1102.5170.9-67.1-174.2-175.8-1451.1107.4D18 T22D18-R20 PolarHBondContact O-N 2.92Å; R20-T22 VanDerWaalsContact C-N 3.31Å; R20-T22 PolarHBondContact O-N 2.95Å
21T63.6Low75Confident128 Ų128137.9 Ų137.979%0.78571%0.705SS**  trans-61.299.3171.453.30000107.2L19 T23L19-T21 PolarHBondContact O-N 2.64Å; T21-T23 PolarHBondContact O-N 3.17Å; T21-T23 VanDerWaalsContact O-N 3.09Å
22T64.9Low75Confident122 Ų122142.5 Ų142.575%0.74872%0.721SS**  trans-69.6111.3169.4-57.30000105.1R20 K24R20-T22 VanDerWaalsContact C-N 3.31Å; R20-T22 PolarHBondContact O-N 2.95Å; T22-K24 PolarHBondContact O-N 2.93Å; T22-K24 VanDerWaalsContact O-N 3.14Å
23T64.3Low75Confident123 Ų123140.6 Ų140.676%0.75571%0.712SS**PPolyproline II helixtrans-50.2120.6170.8430000107.3T21 G25T21-T23 PolarHBondContact O-N 3.17Å; T21-T23 VanDerWaalsContact O-N 3.09Å; T23-G25 PolarHBondContact O-N 2.83Å
24K68Low74.8Confident182 Ų182137.6 Ų137.679%0.79170%0.696SS**PPolyproline II helixtrans-52.6116.5171-82.1-177.1174.2-176.70106.3T22 D26T22-K24 PolarHBondContact O-N 2.93Å; T22-K24 VanDerWaalsContact O-N 3.14Å; K24-D26 PolarHBondContact O-N 3.11Å
25G70.4Confident74.7Confident59 Ų59139.1 Ų139.161%0.60870%0.703SS**PPolyproline II helixtrans-58.3132.3171.500000108.3T23 F27T23-G25 PolarHBondContact O-N 2.83Å; G25-F27 PolarHBondContact O-N 3.47Å
26D75.4Confident74.6Confident162 Ų162134.3 Ų134.387%0.86670%0.699SS**PPolyproline II helixtrans-64.6124.6166.1-104.4-18.9000107.2K24 D28K24-D26 PolarHBondContact O-N 3.11Å; D26-D28 PolarHBondContact O-N 2.97Å
27F72.3Confident74.6Confident209 Ų209134.4 Ų134.492%0.91770%0.695SS**  trans-75.3106.8172.9-92.5-90.5000107.9G25 K29G25-F27 PolarHBondContact O-N 3.47Å; F27-K29 PolarHBondContact O-N 3.35Å; F27-K29 VanDerWaalsContact O-N 3.15Å
28D78.6Confident74.9Confident158 Ų158137.3 Ų137.385%0.84570%0.697SS**  trans-64.1115.2168.1-81.1-33.9000109.2D26 A30D26-D28 PolarHBondContact O-N 2.97Å; D28-A30 PolarHBondContact O-N 2.94Å
29K81.9Confident75.4Confident186 Ų186138.6 Ų138.681%0.80970%0.695SS**PPolyproline II helixtrans-66.9121.8174.6-172.9177.3-178.6-179.30107.9F27F27-K29 PolarHBondContact O-N 3.35Å; F27-K29 VanDerWaalsContact O-N 3.15Å
30A79.8Confident75.9Confident41 Ų41140 Ų14034%0.33970%0.702SS.*PPolyproline II helixtrans-54.6146.1177.600000111.8D28 I34 L35D28-A30 PolarHBondContact O-N 2.94Å; A30-I34 HydrophobicContact CB-CB 4.29Å; A30-I34 HydrophobicContact CB-CG2 4.29Å; A30-L35 HydrophobicContact CB-CG 4.44Å; A30-L35 VanDerWaalsContact O-CD1 3.27Å; A30-L35 WeakPolarHBondContact O-CD1 3.29Å
31D84.3Confident76.2Confident122 Ų122135.6 Ų135.665%0.65270%0.695SS**PPolyproline II helixtrans-55.1149177.1-76.4-37.3000111.8E33 I34 L35D31-E33 PolarHBondContact O-N 2.83Å; D31-I34 HydrophobicContact CB-CD1 4.34Å; D31-I34 HydrophobicContact CB-CG1 4.42Å; D31-I34 PolarHBondContact O-N 3.22Å; D31-L35 PolarHBondContact O-N 3.22Å
32K82.9Confident76.6Confident187 Ų187135 Ų13581%0.81369%0.692SS**Hα-helixtrans-57.4-27.4-174.4-165.6178.2179.6-174.10112.8S36K32-S36 PolarHBondContact O-N 3.39Å; K32-S36 VanDerWaalsContact O-N 3.13Å; K32-S36 PolarHBondContact O-OG 3.12Å
33E83.1Confident76.9Confident145 Ų145133.8 Ų133.868%0.67869%0.694SS**Hα-helixtrans-74.9-33.9176.8-167167.9-163.300113D31 S36 Q37D31-E33 PolarHBondContact O-N 2.83Å; E33-S36 PolarHBondContact O-OG 2.96Å; E33-Q37 WeakPolarHBondContact O-CG 3.31Å; E33-Q37 PolarHBondContact O-N 3.12Å
34I79.6Confident76.9Confident89 Ų89138.6 Ų138.646%0.45670%0.698SS.*Hα-helixtrans-74.7-37.5174.9-56.5174.3000109.9A30 D31 S36 Q37 R38A30-I34 HydrophobicContact CB-CB 4.29Å; A30-I34 HydrophobicContact CB-CG2 4.29Å; D31-I34 HydrophobicContact CB-CD1 4.34Å; D31-I34 HydrophobicContact CB-CG1 4.42Å; D31-I34 PolarHBondContact O-N 3.22Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 2.94Å; I34-Q37 PolarHBondContact O-N 3.31Å; I34-R38 PolarHBondContact O-N 3.35Å
35L77.2Confident76.2Confident71 Ų71134.8 Ų134.837%0.37269%0.69SS.*Hα-helixtrans-64.4-34.8174.6-83.3162.1000112.7A30 D31A30-L35 HydrophobicContact CB-CG 4.44Å; A30-L35 VanDerWaalsContact O-CD1 3.27Å; A30-L35 WeakPolarHBondContact O-CD1 3.29Å; D31-L35 PolarHBondContact O-N 3.22Å
36S78.1Confident75.4Confident91 Ų91138.8 Ų138.864%0.63670%0.698SS**Hα-helixtrans-74.8-27.2179.363.40000113.2K32 E33 I34K32-S36 PolarHBondContact O-N 3.39Å; K32-S36 VanDerWaalsContact O-N 3.13Å; K32-S36 PolarHBondContact O-OG 3.12Å; E33-S36 PolarHBondContact O-OG 2.96Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 2.94Å
37Q84.2Confident74.2Confident152 Ų152138.4 Ų138.471%0.7168%0.684SS**Hα-helixtrans-75.9-21.3175.5-70.1177.5-3.600113.2E33 I34 K39E33-Q37 WeakPolarHBondContact O-CG 3.31Å; E33-Q37 PolarHBondContact O-N 3.12Å; I34-Q37 PolarHBondContact O-N 3.31Å; Q37-K39 PolarHBondContact O-N 3.19Å
38R80.7Confident73.4Confident177 Ų177134 Ų13467%0.66867%0.674SS**SBendtrans-76.8114.7174.4-94.3-179.6168.1159.7-2.7110.9I34 I40I34-R38 PolarHBondContact O-N 3.35Å; R38-I40 PolarHBondContact O-N 3.44Å
39K81.1Confident72.1Confident178 Ų178132.7 Ų132.777%0.77467%0.674SS**  trans-71.986.5172.1-168.4-179.1-176-176.90110.5Q37 L41Q37-K39 PolarHBondContact O-N 3.19Å; K39-L41 HydrophobicContact CG-CD2 4.41Å; K39-L41 HydrophobicContact CG-CG 4.35Å; K39-L41 PolarHBondContact O-N 2.79Å; K39-L41 VanDerWaalsContact O-N 3.07Å
40I76.5Confident70.3Confident123 Ų123129.5 Ų129.563%0.63167%0.671SS**  trans-76.994.6173.7-55.6175.1000108.4R38 T42R38-I40 PolarHBondContact O-N 3.44Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.02Å
41L73.8Confident68.7Low143 Ų143130.8 Ų130.875%0.74969%0.688SS**  trans-70.492.7171-71.7172.7000109.1K39 A43K39-L41 HydrophobicContact CG-CD2 4.41Å; K39-L41 HydrophobicContact CG-CG 4.35Å; K39-L41 PolarHBondContact O-N 2.79Å; K39-L41 VanDerWaalsContact O-N 3.07Å; L41-A43 PolarHBondContact O-N 2.89Å
42T71.7Confident67Low115 Ų115130.8 Ų130.871%0.70669%0.693SS**  trans-81.6116.1169.5-56.20000107.8I40 R44I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.02Å; T42-R44 PolarHBondContact O-N 3.04Å
43A71Confident65.1Low96 Ų96126.2 Ų126.279%0.79368%0.684SS**  trans-61.6104.517200000109L41 T45L41-A43 PolarHBondContact O-N 2.89Å; A43-T45 PolarHBondContact O-N 3.45Å
44R64.5Low63.7Low225 Ų225120.8 Ų120.885%0.84967%0.667SS**  trans-73.496.7176.6-172.6172.8179.5170.10.3108.6T42T42-R44 PolarHBondContact O-N 3.04Å
45T53.1Low62.8Low101 Ų101123.6 Ų123.662%0.6268%0.682SS**  trans-76.7118.8165.2179.50000108.8A43 R47A43-T45 PolarHBondContact O-N 3.45Å; T45-R47 VanDerWaalsContact C-N 3.26Å; T45-R47 PolarHBondContact O-N 3.27Å
46N54.1Low61.9Low144 Ų144129.1 Ų129.177%0.7770%0.704SS**  trans-71.285.6168.2-85.1-7.2000108.3
47R50.3Low60.7Low154 Ų154131.4 Ų131.458%0.58170%0.702SS**  trans-133.9106.5167.9-69.3-173.3-170-146.12.4110.1T45 S53T45-R47 VanDerWaalsContact C-N 3.26Å; T45-R47 PolarHBondContact O-N 3.27Å; R47-S53 PolarHBondContact NH1-O 3.18Å
48T55.6Low59.2Low115 Ų115129.5 Ų129.571%0.70671%0.706SS**  trans-49.2138.4159.537.10000110.6T50T48-T50 PolarHBondContact O-N 2.67Å
49P50.6Low57.7Low131 Ų131128.4 Ų128.485%0.85171%0.706SS**SBendtrans-80.972.6-176.835-33.9000109.4
50T43.6Very low56.7Low120 Ų120124.8 Ų124.874%0.73670%0.699SS**  trans-158.4120177.86.10000109T48T48-T50 PolarHBondContact O-N 2.67Å
51G47.7Very low55.6Low67 Ų67121.6 Ų121.669%0.69169%0.691SS**  trans101.4123.6165.300000114.5S53G51-S53 VanDerWaalsContact C-N 3.31Å; G51-S53 PolarHBondContact O-N 2.79Å
52T47.4Very low55.1Low123 Ų123123.7 Ų123.776%0.75569%0.694SS**SBendtrans-68.773.1-179.748.60000111.7K57T52-K57 WeakPolarHBondContact O-CE 3.48Å; T52-K57 PolarHBondContact O-NZ 3.48Å
53S43.7Very low54.1Low90 Ų90122.5 Ų122.563%0.62969%0.691SS**  trans-141.164.8178.850.70000112R47 G51R47-S53 PolarHBondContact NH1-O 3.18Å; G51-S53 VanDerWaalsContact C-N 3.31Å; G51-S53 PolarHBondContact O-N 2.79Å
54G52.5Low52.9Low32 Ų32124.8 Ų124.833%0.3369%0.69SS.*  trans-99.1134.9172.100000111.7F56 K57G54-F56 PolarHBondContact O-N 3.45Å; G54-K57 PolarHBondContact O-N 3.45Å
55L61.2Low51.6Low147 Ų147120.7 Ų120.777%0.7769%0.694SS**THydrogen-bonded Turntrans-60.90.9175.2-64.4157.1000113.8
56F58.1Low51.3Low187 Ų187119.5 Ų119.582%0.8269%0.69SS**THydrogen-bonded Turntrans-97.12.8174.2-56.3-77.7000113.4G54 S58 F59G54-F56 PolarHBondContact O-N 3.45Å; F56-S58 PolarHBondContact O-N 2.98Å; F56-F59 PolarHBondContact O-N 2.95Å
57K54.4Low50.8Low140 Ų140124.1 Ų124.161%0.60970%0.696SS**THydrogen-bonded Turntrans-65.1-10.9170.4-78.1-174.8166.4-173.50113.9T52 G54 F59T52-K57 WeakPolarHBondContact O-CE 3.48Å; T52-K57 PolarHBondContact O-NZ 3.48Å; G54-K57 PolarHBondContact O-N 3.45Å; K57-F59 VanDerWaalsContact C-N 3.26Å; K57-F59 PolarHBondContact O-N 3.04Å
58S51.7Low50.3Low112 Ų112120.5 Ų120.578%0.78371%0.707SS**THydrogen-bonded Turntrans-79.8-1.4175.3-168.90000113.9F56 T60F56-S58 PolarHBondContact O-N 2.98Å; S58-T60 PolarHBondContact O-N 3.28Å
59F49.6Very low50Low154 Ų154122 Ų12268%0.67571%0.711SS**  trans-96.478.1175.4-160.4-100.2000110.1F56 K57 A61 F62F56-F59 PolarHBondContact O-N 2.95Å; K57-F59 VanDerWaalsContact C-N 3.26Å; K57-F59 PolarHBondContact O-N 3.04Å; F59-A61 VanDerWaalsContact C-N 3.26Å; F59-A61 HydrophobicContact CD1-CB 4.17Å; F59-A61 HydrophobicContact CD2-CB 4.38Å; F59-A61 HydrophobicContact CE1-CB 3.8Å; F59-A61 HydrophobicContact CE2-CB 4.02Å; F59-A61 HydrophobicContact CG-CB 4.46Å; F59-A61 HydrophobicContact CZ-CB 3.72Å; F59-F62 HydrophobicContact CE1-CD2 4.03Å; F59-F62 HydrophobicContact CE1-CE2 4.06Å; F59-F62 HydrophobicContact CZ-CE2 4.36Å
60T60Low50.2Low101 Ų101121.6 Ų121.662%0.6271%0.708SS**  trans-89.718.8173.651.40000112.9S58 F62 S63S58-T60 PolarHBondContact O-N 3.28Å; T60-F62 PolarHBondContact O-N 3.4Å; T60-S63 PolarHBondContact O-N 2.83Å
61A53.4Low50.6Low57 Ų57121.5 Ų121.547%0.47171%0.707SS.*THydrogen-bonded Turntrans-670.7-169.500000116.1F59F59-A61 VanDerWaalsContact C-N 3.26Å; F59-A61 HydrophobicContact CD1-CB 4.17Å; F59-A61 HydrophobicContact CD2-CB 4.38Å; F59-A61 HydrophobicContact CE1-CB 3.8Å; F59-A61 HydrophobicContact CE2-CB 4.02Å; F59-A61 HydrophobicContact CG-CB 4.46Å; F59-A61 HydrophobicContact CZ-CB 3.72Å
62F62.6Low51Low187 Ų187123.6 Ų123.682%0.8271%0.711SS**THydrogen-bonded Turntrans-135.312.3-178.9-73.3-78.1000114.8F59 T60F59-F62 HydrophobicContact CE1-CD2 4.03Å; F59-F62 HydrophobicContact CE1-CE2 4.06Å; F59-F62 HydrophobicContact CZ-CE2 4.36Å; T60-F62 PolarHBondContact O-N 3.4Å
63S51.6Low51.4Low89 Ų89126.4 Ų126.462%0.62271%0.714SS**SBendtrans-140.158-174.359.80000112.9T60T60-S63 PolarHBondContact O-N 2.83Å
64D44.7Very low52Low145 Ų145129.7 Ų129.778%0.77572%0.724SS**  trans-175.697.5135.7-135.5-22.4000109.9S66D64-S66 PolarHBondContact O-N 3.32Å
65C37.6Very low51.8Low138 Ų138138.2 Ų138.293%0.93275%0.752SS**  trans-95.772.9172.1-670000108.3
66S47.3Very low51.9Low77 Ų77133.7 Ų133.754%0.53874%0.741SS.*  trans-153.4108.1170.2157.10000109.5D64D64-S66 PolarHBondContact O-N 3.32Å
67R44.3Very low52.1Low240 Ų240131 Ų13191%0.90674%0.742SS**SBendtrans97123.6167.3-61.2161.9-176.3-145.7-5114.9
68G39.5Very low51.9Low79 Ų79131.8 Ų131.881%0.81475%0.753SS**  trans-69.8133.4-166.300000113.9
69N49.2Very low52.1Low146 Ų146132 Ų13278%0.78175%0.751SS**  -160.4144129.1-120.70.1000107.8V71N69-V71 PolarHBondContact O-N 2.87Å
70P55.1Low51.8Low122 Ų122129.8 Ų129.879%0.79276%0.756SS**  trans-71.6105-18029.2-31.4000109.2S72P70-S72 PolarHBondContact O-N 3.4Å
71V51.3Low50.9Low119 Ų119130.1 Ų130.172%0.72176%0.762SS**  trans-74.2107.2171-800000109.2N69N69-V71 PolarHBondContact O-N 2.87Å
72S56Low50.5Low111 Ų111133.4 Ų133.478%0.77678%0.776SS**  trans-67.7122.9167.947.50000110.2P70 N74P70-S72 PolarHBondContact O-N 3.4Å; S72-N74 PolarHBondContact O-N 3.07Å
73F54.8Low49.4Very low182 Ų182134.2 Ų134.280%0.79878%0.779SS**  trans-76.8106173.3-59.9-83.9000109.4
74N58.2Low48.8Very low158 Ų158138.1 Ų138.185%0.84579%0.787SS**  trans-101.595.4174.4-142.930.9000109.1S72S72-N74 PolarHBondContact O-N 3.07Å
75F48.1Very low48.5Very low212 Ų212138.9 Ų138.993%0.9379%0.791SS**  trans-90.592.1168-99.9-91.1000108.2
76G63.5Low48.6Very low51 Ų51135.7 Ų135.753%0.52678%0.782SS.*SBendtrans-161.2133.8173.500000110.5N78G76-N78 PolarHBondContact O-N 2.74Å
77P61.7Low48.7Very low131 Ų131139.5 Ų139.585%0.85179%0.791SS**  trans-66.8126.517928.2-31.2000109.3P79P77-P79 VanDerWaalsContact O-CD 3.29Å; P77-P79 WeakPolarHBondContact O-CD 3.29Å
78N48.9Very low49.3Very low157 Ų157136 Ų13684%0.8478%0.783SS**  trans-71.7114.1175.4-151.716.3000108.3G76 S80G76-N78 PolarHBondContact O-N 2.74Å; N78-S80 PolarHBondContact O-N 3Å; N78-S80 VanDerWaalsContact O-N 3.15Å
79P57Low50.7Low115 Ų115136.7 Ų136.775%0.74777%0.767SS**  trans-74.6108.1172.329.3-30.2000108.3P77 S81P77-P79 VanDerWaalsContact O-CD 3.29Å; P77-P79 WeakPolarHBondContact O-CD 3.29Å; P79-S81 PolarHBondContact O-N 3.45Å
80S42.7Very low52.3Low109 Ų109133.7 Ų133.776%0.76275%0.749SS**  trans-55.1120.2171.546.50000110.5N78 V82N78-S80 PolarHBondContact O-N 3Å; N78-S80 VanDerWaalsContact O-N 3.15Å; S80-V82 PolarHBondContact O-N 2.8Å
81S42.4Very low53.8Low107 Ų107133.1 Ų133.175%0.74874%0.735SS**  trans-52.7116.1171.654.10000112.2P79P79-S81 PolarHBondContact O-N 3.45Å
82V44.5Very low55.7Low127 Ų127131.1 Ų131.177%0.7772%0.724SS**  trans-107.7106.5151.5178.50000106.1S80 E84S80-V82 PolarHBondContact O-N 2.8Å; V82-E84 PolarHBondContact O-N 3.36Å
83K38.1Very low57.3Low204 Ų204129 Ų12989%0.88770%0.702SS**  trans-76.2108166-71.5-176.8177.2-178.70106.9
84E40.4Very low59.2Low170 Ų170121.9 Ų121.979%0.79467%0.67SS**  trans-137.1138.1155.5-150.8169.3-167.100109.5V82V82-E84 PolarHBondContact O-N 3.36Å
85N39Very low60.9Low161 Ų161118.8 Ų118.886%0.86165%0.653SS**  trans-55.7144.4-165.8-58.7-65.1000115.3
86G37.9Very low63.1Low72 Ų72114.1 Ų114.174%0.74263%0.634SS**SBendtrans12411.3131.700000121.2
87H49.8Very low64.5Low157 Ų157115 Ų11573%0.72762%0.624SS**  trans-164.1118.7158.6-130.2-93.3000105.6D89H87-D89 PolarHBondContact O-N 3.02Å
88K56.4Low66.1Low167 Ų167110.4 Ų110.473%0.72659%0.592SS**  trans-68.9107.3166.6-78.3-171178.6-174.50105.4E90 E93K88-E90 PolarHBondContact O-N 2.87Å; K88-E90 VanDerWaalsContact O-N 3.08Å; K88-E93 WeakPolarHBondContact CD-OE1 2.98Å
89D69.9Low68.3Low92 Ų92108.6 Ų108.649%0.49258%0.579SS.*  trans-61115.9-179.7-61-41.2000106.8H87 E91 T92H87-D89 PolarHBondContact O-N 3.02Å; D89-E91 HydrophobicContact CB-CB 4.33Å; D89-E91 CarbonylContact O-C 3.53Å; D89-E91 PolarHBondContact O-N 2.97Å; D89-T92 HydrophobicContact CB-CG2 4.2Å; D89-T92 PolarHBondContact O-N 3.34Å; D89-T92 PolarHBondContact O-OG1 3.5Å
90E83Confident70.2Confident84 Ų84107.3 Ų107.339%0.39357%0.565SS.*Hα-helixtrans-46.3-25.5175-68.2172.5-179.300111K88 Y94 F139 K141K88-E90 PolarHBondContact O-N 2.87Å; K88-E90 VanDerWaalsContact O-N 3.08Å; E90-Y94 WeakPolarHBondContact O-CB 3.3Å; E90-Y94 PolarHBondContact O-N 2.92Å; E90-F139 HydrophobicContact CB-CD1 4.15Å; E90-F139 WeakPolarHBondContact O-CD1 3.1Å; E90-K141 IonicContact OE1-NZ 3.41Å; E90-K141 PolarHBondContact OE1-NZ 2.66Å; E90-K141 VanDerWaalsContact OE1-NZ 3.14Å; E90-K141 WeakPolarHBondContact OE2-CD 3.48Å; E90-K141 IonicContact OE2-NZ 3.14Å; E90-K141 PolarHBondContact OE2-NZ 2.95Å
91E86.9Confident72.7Confident109 Ų109103.2 Ų103.251%0.50954%0.535SS..Hα-helixtrans-60.9-49.1171.1-175.5155.2-145.800115.8D89 E93 Y94 L95 Q142D89-E91 HydrophobicContact CB-CB 4.33Å; D89-E91 CarbonylContact O-C 3.53Å; D89-E91 PolarHBondContact O-N 2.97Å; E91-E93 VanDerWaalsContact C-N 3.29Å; E91-E93 PolarHBondContact O-N 3.3Å; E91-Y94 PolarHBondContact O-N 2.9Å; E91-L95 HydrophobicContact CG-CD1 4.11Å; E91-L95 WeakPolarHBondContact O-CB 3.04Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.12Å; E91-L95 PolarHBondContact O-N 3.15Å; E91-Q142 VanDerWaalsContact CA-NE2 3.27Å; E91-Q142 VanDerWaalsContact CA-OE1 3.31Å
92T90.1Very high75.2Confident78 Ų78101.3 Ų101.348%0.47952%0.516SS..Hα-helixtrans-64-38.9179.958.50000111.2D89 E96D89-T92 HydrophobicContact CB-CG2 4.2Å; D89-T92 PolarHBondContact O-N 3.34Å; D89-T92 PolarHBondContact O-OG1 3.5Å; T92-E96 WeakPolarHBondContact O-CB 3.29Å; T92-E96 PolarHBondContact O-N 3.1Å
93E90.9Very high77.7Confident67 Ų6799.8 Ų99.831%0.31350%0.501SS..Hα-helixtrans-69.8-40.7176.8-63.3-171173.900111.6K88 E91 E96 H97 F139K88-E93 WeakPolarHBondContact CD-OE1 2.98Å; E91-E93 VanDerWaalsContact C-N 3.29Å; E91-E93 PolarHBondContact O-N 3.3Å; E93-E96 PolarHBondContact O-N 3.48Å; E93-H97 PolarHBondContact O-N 2.9Å; E93-H97 PolarHBondContact O-ND1 3Å; E93-F139 HydrophobicContact CB-CE1 3.82Å; E93-F139 HydrophobicContact CB-CZ 3.68Å
94Y94.1Very high80.4Confident31 Ų3193.7 Ų93.712%0.12248%0.484CS..Hα-helixtrans-60.1-47.6173.7170.7-94.1000112E90 E91 E96 H97 L98 I135 F139 Q142E90-Y94 WeakPolarHBondContact O-CB 3.3Å; E90-Y94 PolarHBondContact O-N 2.92Å; E91-Y94 PolarHBondContact O-N 2.9Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 3.04Å; Y94-H97 PolarHBondContact O-N 2.89Å; Y94-L98 HydrophobicContact CE1-CD2 4.01Å; Y94-L98 WeakPolarHBondContact O-CB 3.34Å; Y94-L98 PolarHBondContact O-N 3.48Å; Y94-I135 HydrophobicContact CD2-CG2 3.41Å; Y94-I135 VanDerWaalsContact CD2-CG2 3.41Å; Y94-I135 HydrophobicContact CE2-CG2 3.49Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.49Å; Y94-I135 HydrophobicContact CG-CG2 4.43Å; Y94-F139 HydrophobicContact CD2-CB 3.81Å; Y94-F139 AromaticContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CG 4.14Å; Y94-F139 HydrophobicContact CG-CB 4.35Å; Y94-F139 HydrophobicContact CG-CD2 4.41Å; Y94-F139 HydrophobicContact CG-CG 4.49Å; Y94-Q142 HydrophobicContact CD1-CB 4.11Å; Y94-Q142 HydrophobicContact CD1-CG 4.41Å; Y94-Q142 HydrophobicContact CD2-CB 4Å; Y94-Q142 HydrophobicContact CE1-CB 4.33Å; Y94-Q142 HydrophobicContact CE2-CB 4.24Å; Y94-Q142 HydrophobicContact CG-CB 3.92Å; Y94-Q142 HydrophobicContact CG-CG 4.12Å
95L94Very high83.1Confident93 Ų9386.9 Ų86.949%0.48745%0.453SS..Hα-helixtrans-63.6-38.1179.9-70.3174.7000112.1E91 L98 Q99E91-L95 HydrophobicContact CG-CD1 4.11Å; E91-L95 WeakPolarHBondContact O-CB 3.04Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.12Å; E91-L95 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 2.82Å; L95-Q99 VanDerWaalsContact O-CB 3.24Å; L95-Q99 WeakPolarHBondContact O-CB 3.3Å; L95-Q99 PolarHBondContact O-N 3.4Å
96E94Very high85.8Confident114 Ų11483.6 Ų83.653%0.53344%0.435SS..Hα-helixtrans-63-44.2173.9-173.3180-178.500111.4T92 E93 Y94 Q99 N100T92-E96 WeakPolarHBondContact O-CB 3.29Å; T92-E96 PolarHBondContact O-N 3.1Å; E93-E96 PolarHBondContact O-N 3.48Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 3.04Å; E96-Q99 PolarHBondContact O-N 3.48Å; E96-N100 WeakPolarHBondContact O-CB 3.23Å; E96-N100 VanDerWaalsContact O-CG 3.26Å; E96-N100 PolarHBondContact O-N 2.83Å; E96-N100 PolarHBondContact O-ND2 3.38Å
97H93.7Very high88.5Confident71 Ų7185.5 Ų85.533%0.32943%0.428SS..Hα-helixtrans-63.1-43.6175.7-76.684.8000112E93 Y94 N100 L101 I135 F139E93-H97 PolarHBondContact O-N 2.9Å; E93-H97 PolarHBondContact O-ND1 3Å; Y94-H97 PolarHBondContact O-N 2.89Å; H97-N100 PolarHBondContact O-N 2.84Å; H97-L101 WeakPolarHBondContact O-CB 3.26Å; H97-L101 PolarHBondContact O-N 3.43Å; H97-I135 HydrophobicContact CB-CD1 4.05Å; H97-I135 HydrophobicContact CB-CG1 4.14Å; H97-I135 HydrophobicContact CB-CG2 4.23Å; H97-F139 AromaticContact ND1-CE2 3.86Å
98L94.9Very high90.6Very high34 Ų3482.3 Ų82.318%0.17841%0.409CS..Hα-helixtrans-66.6-40.6178.8-174.561.4000111.6Y94 L95 L101 N102 L132Y94-L98 HydrophobicContact CE1-CD2 4.01Å; Y94-L98 WeakPolarHBondContact O-CB 3.34Å; Y94-L98 PolarHBondContact O-N 3.48Å; L95-L98 PolarHBondContact O-N 2.82Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-N102 WeakPolarHBondContact O-CB 3.19Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-ND2 3.09Å; L98-L132 HydrophobicContact CD1-CD1 3.77Å
99Q95.2Very high92.4Very high118 Ų11876.1 Ų76.155%0.55138%0.384SS*.Hα-helixtrans-61.9-48.2175.2-176.4-179.514.900111.3L95 E96 L101 N102 Q103L95-Q99 VanDerWaalsContact O-CB 3.24Å; L95-Q99 WeakPolarHBondContact O-CB 3.3Å; L95-Q99 PolarHBondContact O-N 3.4Å; E96-Q99 PolarHBondContact O-N 3.48Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.08Å; Q99-N102 PolarHBondContact O-N 2.82Å; Q99-Q103 HydrophobicContact CG-CG 4.48Å; Q99-Q103 WeakPolarHBondContact O-CG 3.33Å; Q99-Q103 PolarHBondContact O-N 3.14Å
100N95.7Very high93.6Very high88 Ų8874.2 Ų74.247%0.47138%0.376SS..Hα-helixtrans-61-39.2178.6-74.3-23.8000112E96 H97 S104E96-N100 WeakPolarHBondContact O-CB 3.23Å; E96-N100 VanDerWaalsContact O-CG 3.26Å; E96-N100 PolarHBondContact O-N 2.83Å; E96-N100 PolarHBondContact O-ND2 3.38Å; H97-N100 PolarHBondContact O-N 2.84Å; N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 2.85Å; N100-S104 PolarHBondContact O-OG 2.86Å
101L95.9Very high94.1Very high24 Ų2476 Ų7613%0.12638%0.382CS..Hα-helixtrans-63.7-47.717518062.1000111.5H97 L98 Q99 Q103 S104 L105 Y128 H131 L132 I135H97-L101 WeakPolarHBondContact O-CB 3.26Å; H97-L101 PolarHBondContact O-N 3.43Å; L98-L101 PolarHBondContact O-N 3.18Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.08Å; L101-Q103 PolarHBondContact O-N 3.49Å; L101-S104 PolarHBondContact O-N 3.41Å; L101-L105 WeakPolarHBondContact O-CB 3.01Å; L101-L105 PolarHBondContact O-N 2.79Å; L101-Y128 HydrophobicContact CD1-CD2 4Å; L101-Y128 HydrophobicContact CD1-CE2 4.35Å; L101-Y128 HydrophobicContact CD2-CD2 3.83Å; L101-Y128 HydrophobicContact CD2-CE2 3.58Å; L101-Y128 HydrophobicContact CG-CD2 3.7Å; L101-Y128 HydrophobicContact CG-CE2 3.54Å; L101-H131 HydrophobicContact CD1-CB 3.57Å; L101-H131 HydrophobicContact CD2-CB 3.87Å; L101-H131 HydrophobicContact CG-CB 4.38Å; L101-L132 HydrophobicContact CD2-CB 4.49Å; L101-I135 HydrophobicContact CB-CD1 4.23Å; L101-I135 HydrophobicContact CD2-CD1 3.79Å
102N95.6Very high94.4Very high66 Ų6673.4 Ų73.435%0.35337%0.37SS..Hα-helixtrans-63.5-39.9-179.6-70.9-11.3000112.4L98 Q99 L105 L106 Y128L98-N102 WeakPolarHBondContact O-CB 3.19Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-ND2 3.09Å; Q99-N102 PolarHBondContact O-N 2.82Å; N102-L105 PolarHBondContact O-N 2.91Å; N102-L106 PolarHBondContact O-N 3.21Å; N102-Y128 WeakPolarHBondContact OD1-CE2 3.43Å; N102-Y128 PolarHBondContact OD1-OH 3.15Å
103Q96.5Very high94.6Very high96 Ų9672.6 Ų72.645%0.44937%0.365SS..Hα-helixtrans-68-42175.8-65.2-66.32200111.8Q99 L101 L105 L106 D107Q99-Q103 HydrophobicContact CG-CG 4.48Å; Q99-Q103 WeakPolarHBondContact O-CG 3.33Å; Q99-Q103 PolarHBondContact O-N 3.14Å; L101-Q103 PolarHBondContact O-N 3.49Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.01Å; Q103-L106 PolarHBondContact O-N 2.74Å; Q103-D107 PolarHBondContact O-N 3.39Å
104S94.9Very high94.7Very high75 Ų7577.4 Ų77.452%0.52439%0.385SS..Hα-helixtrans-61.7-39.5176-58.40000111.8N100 L101 W108N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 2.85Å; N100-S104 PolarHBondContact O-OG 2.86Å; L101-S104 PolarHBondContact O-N 3.41Å; S104-W108 WeakPolarHBondContact O-CB 3.41Å; S104-W108 PolarHBondContact O-N 2.69Å
105L96Very high94.6Very high28 Ų2881.7 Ų81.715%0.14741%0.406CS..Hα-helixtrans-62.3-46.7174.1178.768.6000111.3L101 N102 Q103 W108 I109 I124 Y128L101-L105 WeakPolarHBondContact O-CB 3.01Å; L101-L105 PolarHBondContact O-N 2.79Å; N102-L105 PolarHBondContact O-N 2.91Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.01Å; L105-W108 PolarHBondContact O-N 3.38Å; L105-I109 HydrophobicContact CD1-CD1 3.91Å; L105-I109 HydrophobicContact CD1-CG1 4.27Å; L105-I109 HydrophobicContact CD2-CD1 4.41Å; L105-I109 HydrophobicContact CG-CD1 3.82Å; L105-I109 HydrophobicContact CG-CG1 4.48Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.49Å; L105-I109 PolarHBondContact O-N 3.39Å; L105-I124 HydrophobicContact CD1-CD1 4.42Å; L105-I124 HydrophobicContact CD1-CG1 3.46Å; L105-I124 VanDerWaalsContact CD1-CG1 3.46Å; L105-I124 HydrophobicContact CD1-CG2 4.35Å; L105-Y128 HydrophobicContact CB-CD2 4.22Å; L105-Y128 HydrophobicContact CD1-CD2 4.38Å; L105-Y128 HydrophobicContact CD2-CD2 3.68Å; L105-Y128 HydrophobicContact CD2-CE2 3.87Å; L105-Y128 HydrophobicContact CD2-CG 4.25Å; L105-Y128 HydrophobicContact CG-CD2 4.3Å
106L95.5Very high94.5Very high92 Ų9282.4 Ų82.448%0.48241%0.41SS..Hα-helixtrans-62.4-45179.7-179.363.9000111.8N102 Q103 W108 I109 T110N102-L106 PolarHBondContact O-N 3.21Å; Q103-L106 PolarHBondContact O-N 2.74Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 2.82Å; L106-I109 PolarHBondContact O-N 3.33Å; L106-T110 VanDerWaalsContact O-CB 3.25Å; L106-T110 WeakPolarHBondContact O-CB 2.96Å; L106-T110 PolarHBondContact O-N 3.47Å; L106-T110 PolarHBondContact O-OG1 2.87Å
107D95.6Very high94.3Very high111 Ų11181.6 Ų81.659%0.59441%0.414SS*.Hα-helixtrans-61.6-42.3176.6-77-16.1000111.2Q103 T110 K111Q103-D107 PolarHBondContact O-N 3.39Å; D107-T110 PolarHBondContact O-N 2.89Å; D107-K111 WeakPolarHBondContact O-CB 3.37Å; D107-K111 PolarHBondContact O-N 2.83Å
108W93.6Very high94.1Very high90 Ų9087.7 Ų87.734%0.34144%0.44SS..Hα-helixtrans-64-48.6178-169.398.8000112.1S104 L105 L106 T110 K111 H112 L121 I124S104-W108 WeakPolarHBondContact O-CB 3.41Å; S104-W108 PolarHBondContact O-N 2.69Å; L105-W108 PolarHBondContact O-N 3.38Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 2.82Å; W108-T110 VanDerWaalsContact C-N 3.33Å; W108-T110 PolarHBondContact O-N 2.81Å; W108-K111 PolarHBondContact O-N 3.15Å; W108-H112 AromaticContact CD1-CE1 3.72Å; W108-H112 AromaticContact CD2-CE1 3.64Å; W108-H112 AromaticContact CD2-ND1 3.4Å; W108-H112 AromaticContact CE2-CE1 3.15Å; W108-H112 AromaticContact CE2-ND1 3.37Å; W108-H112 AromaticContact CE2-NE2 3.79Å; W108-H112 AromaticContact CE3-ND1 3.72Å; W108-H112 AromaticContact CG-CE1 3.98Å; W108-H112 AromaticContact CG-ND1 3.88Å; W108-H112 HydrophobicContact CH2-CB 4.45Å; W108-H112 AromaticContact CH2-CG 3.93Å; W108-H112 AromaticContact CH2-ND1 3.97Å; W108-H112 AromaticContact CZ2-CD2 3.95Å; W108-H112 AromaticContact CZ2-CE1 3.48Å; W108-H112 VanDerWaalsContact CZ2-CE1 3.48Å; W108-H112 WeakPolarHBondContact CZ2-CE1 3.49Å; W108-H112 AromaticContact CZ2-CG 3.97Å; W108-H112 AromaticContact CZ2-ND1 3.68Å; W108-H112 AromaticContact CZ2-NE2 3.64Å; W108-H112 HydrophobicContact CZ3-CB 4.26Å; W108-H112 AromaticContact CZ3-ND1 3.98Å; W108-H112 AromaticContact NE1-CE1 3.22Å; W108-H112 PolarHBondContact NE1-CE1 2.98Å; W108-H112 AromaticContact NE1-ND1 3.81Å; W108-H112 AromaticContact NE1-NE2 3.99Å; W108-H112 PolarHBondContact O-N 2.95Å; W108-H112 VanDerWaalsContact O-N 3.09Å; W108-H112 PolarHBondContact O-ND1 3.25Å; W108-L121 HydrophobicContact CZ3-CD2 4.07Å; W108-I124 HydrophobicContact CD2-CB 4.2Å; W108-I124 HydrophobicContact CD2-CD1 3.69Å; W108-I124 HydrophobicContact CD2-CG1 3.78Å; W108-I124 HydrophobicContact CE3-CB 3.67Å; W108-I124 HydrophobicContact CE3-CD1 4.02Å; W108-I124 HydrophobicContact CE3-CG1 3.55Å; W108-I124 HydrophobicContact CE3-CG2 3.76Å; W108-I124 HydrophobicContact CG-CD1 3.96Å; W108-I124 HydrophobicContact CG-CG1 4.34Å; W108-I124 HydrophobicContact CH2-CB 3.81Å; W108-I124 HydrophobicContact CH2-CG1 4.46Å; W108-I124 HydrophobicContact CH2-CG2 4.13Å; W108-I124 HydrophobicContact CZ2-CB 4.29Å; W108-I124 HydrophobicContact CZ2-CD1 4.41Å; W108-I124 HydrophobicContact CZ3-CB 3.47Å; W108-I124 VanDerWaalsContact CZ3-CB 3.47Å; W108-I124 HydrophobicContact CZ3-CG1 3.93Å; W108-I124 HydrophobicContact CZ3-CG2 3.41Å; W108-I124 VanDerWaalsContact CZ3-CG2 3.41Å
109I95.3Very high93.8Very high38 Ų3888 Ų8820%0.19545%0.445CS..Hα-helixtrans-61.8-45.3177.7-68.4171000109.6L105 L106 K111 H112 V113 L121 I124L105-I109 HydrophobicContact CD1-CD1 3.91Å; L105-I109 HydrophobicContact CD1-CG1 4.27Å; L105-I109 HydrophobicContact CD2-CD1 4.41Å; L105-I109 HydrophobicContact CG-CD1 3.82Å; L105-I109 HydrophobicContact CG-CG1 4.48Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.49Å; L105-I109 PolarHBondContact O-N 3.39Å; L106-I109 PolarHBondContact O-N 3.33Å; I109-K111 VanDerWaalsContact C-N 3.28Å; I109-K111 PolarHBondContact O-N 2.79Å; I109-H112 PolarHBondContact O-N 2.81Å; I109-V113 HydrophobicContact CG2-CG2 3.81Å; I109-V113 VanDerWaalsContact O-CB 3.28Å; I109-V113 WeakPolarHBondContact O-CB 3.45Å; I109-V113 VanDerWaalsContact O-CG2 3.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.22Å; I109-V113 PolarHBondContact O-N 2.87Å; I109-L121 HydrophobicContact CG1-CD2 4.45Å; I109-L121 HydrophobicContact CG2-CD1 4.28Å; I109-L121 HydrophobicContact CG2-CD2 4.46Å; I109-I124 HydrophobicContact CG1-CG2 4.5Å
110T94.5Very high93.5Very high51 Ų5189 Ų8931%0.31345%0.453SS..Hα-helixtrans-60.1-39.7180-60.40000111.7L106 D107 W108 K114L106-T110 VanDerWaalsContact O-CB 3.25Å; L106-T110 WeakPolarHBondContact O-CB 2.96Å; L106-T110 PolarHBondContact O-N 3.47Å; L106-T110 PolarHBondContact O-OG1 2.87Å; D107-T110 PolarHBondContact O-N 2.89Å; W108-T110 VanDerWaalsContact C-N 3.33Å; W108-T110 PolarHBondContact O-N 2.81Å; T110-K114 HydrophobicContact CG2-CD 4.04Å; T110-K114 VanDerWaalsContact CG2-CE 3.48Å; T110-K114 VanDerWaalsContact O-CB 3.3Å; T110-K114 WeakPolarHBondContact O-CB 3.19Å; T110-K114 WeakPolarHBondContact O-CD 3.47Å; T110-K114 WeakPolarHBondContact O-CG 3.47Å; T110-K114 PolarHBondContact O-N 3.37Å
111K93.6Very high93.3Very high123 Ų12387 Ų8754%0.53544%0.442SS..Hα-helixtrans-66.1-50.3177.1-173.3-177.9175.4-173.90111.8D107 W108 I109 K114 E115D107-K111 WeakPolarHBondContact O-CB 3.37Å; D107-K111 PolarHBondContact O-N 2.83Å; W108-K111 PolarHBondContact O-N 3.15Å; I109-K111 VanDerWaalsContact C-N 3.28Å; I109-K111 PolarHBondContact O-N 2.79Å; K111-K114 PolarHBondContact O-N 3.14Å; K111-E115 VanDerWaalsContact CE-OE1 3.22Å; K111-E115 WeakPolarHBondContact CE-OE1 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.44Å; K111-E115 PolarHBondContact O-N 2.98Å; K111-E115 VanDerWaalsContact O-N 3.08Å
112H92.3Very high93.1Very high54 Ų5489.6 Ų89.625%0.2546%0.462CS..Hα-helixtrans-74.2-34.3-174.4-68.680.4000113W108 I109 K114 E115 D116W108-H112 AromaticContact CD1-CE1 3.72Å; W108-H112 AromaticContact CD2-CE1 3.64Å; W108-H112 AromaticContact CD2-ND1 3.4Å; W108-H112 AromaticContact CE2-CE1 3.15Å; W108-H112 AromaticContact CE2-ND1 3.37Å; W108-H112 AromaticContact CE2-NE2 3.79Å; W108-H112 AromaticContact CE3-ND1 3.72Å; W108-H112 AromaticContact CG-CE1 3.98Å; W108-H112 AromaticContact CG-ND1 3.88Å; W108-H112 HydrophobicContact CH2-CB 4.45Å; W108-H112 AromaticContact CH2-CG 3.93Å; W108-H112 AromaticContact CH2-ND1 3.97Å; W108-H112 AromaticContact CZ2-CD2 3.95Å; W108-H112 AromaticContact CZ2-CE1 3.48Å; W108-H112 VanDerWaalsContact CZ2-CE1 3.48Å; W108-H112 WeakPolarHBondContact CZ2-CE1 3.49Å; W108-H112 AromaticContact CZ2-CG 3.97Å; W108-H112 AromaticContact CZ2-ND1 3.68Å; W108-H112 AromaticContact CZ2-NE2 3.64Å; W108-H112 HydrophobicContact CZ3-CB 4.26Å; W108-H112 AromaticContact CZ3-ND1 3.98Å; W108-H112 AromaticContact NE1-CE1 3.22Å; W108-H112 PolarHBondContact NE1-CE1 2.98Å; W108-H112 AromaticContact NE1-ND1 3.81Å; W108-H112 AromaticContact NE1-NE2 3.99Å; W108-H112 PolarHBondContact O-N 2.95Å; W108-H112 VanDerWaalsContact O-N 3.09Å; W108-H112 PolarHBondContact O-ND1 3.25Å; I109-H112 PolarHBondContact O-N 2.81Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 2.88Å; H112-E115 PolarHBondContact O-N 2.82Å; H112-D116 CarbonylContact O-C 3.56Å; H112-D116 PolarHBondContact O-N 3.07Å; H112-D116 VanDerWaalsContact O-O 3.14Å
113V94.2Very high92.9Very high61 Ų6190.5 Ų90.537%0.3747%0.472SS..Hα-helixtrans-69.4-29.8174.4174.30000111.5I109 D116 L121I109-V113 HydrophobicContact CG2-CG2 3.81Å; I109-V113 VanDerWaalsContact O-CB 3.28Å; I109-V113 WeakPolarHBondContact O-CB 3.45Å; I109-V113 VanDerWaalsContact O-CG2 3.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.22Å; I109-V113 PolarHBondContact O-N 2.87Å; V113-D116 CarbonylContact O-C 3.59Å; V113-L121 HydrophobicContact CG2-CD2 4.33Å
114K93.1Very high92.7Very high168 Ų16886.9 Ų86.973%0.7346%0.455SS*.Hα-helixtrans-73.5-36.4173.1-78.3174.5-177.4174.40112.9T110 K111 H112T110-K114 HydrophobicContact CG2-CD 4.04Å; T110-K114 VanDerWaalsContact CG2-CE 3.48Å; T110-K114 VanDerWaalsContact O-CB 3.3Å; T110-K114 WeakPolarHBondContact O-CB 3.19Å; T110-K114 WeakPolarHBondContact O-CD 3.47Å; T110-K114 WeakPolarHBondContact O-CG 3.47Å; T110-K114 PolarHBondContact O-N 3.37Å; K111-K114 PolarHBondContact O-N 3.14Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 2.88Å
115E93.4Very high92.7Very high120 Ų12087.7 Ų87.756%0.56145%0.449SS*.Hα-helixtrans-72.5-53.2176.4-72177.9-168.600110.7K111 H112K111-E115 VanDerWaalsContact CE-OE1 3.22Å; K111-E115 WeakPolarHBondContact CE-OE1 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.44Å; K111-E115 PolarHBondContact O-N 2.98Å; K111-E115 VanDerWaalsContact O-N 3.08Å; H112-E115 PolarHBondContact O-N 2.82Å
116D90.1Very high92.6Very high109 Ų10989.4 Ų89.458%0.58346%0.463SS*.  trans-131.6104.4179.1-74.9-35.5000110.9H112 V113 F118 C119H112-D116 CarbonylContact O-C 3.56Å; H112-D116 PolarHBondContact O-N 3.07Å; H112-D116 VanDerWaalsContact O-O 3.14Å; V113-D116 CarbonylContact O-C 3.59Å; D116-F118 PolarHBondContact O-N 2.89Å; D116-C119 HydrophobicContact CB-CB 4.23Å; D116-C119 WeakPolarHBondContact O-CB 3.23Å; D116-C119 PolarHBondContact O-N 2.85Å; D116-C119 VanDerWaalsContact O-N 3.12Å; D116-C119 PolarHBondContact O-SG 3.26Å
117P90.2Very high92.6Very high96 Ų9688.4 Ų88.462%0.62346%0.459SS*.THydrogen-bonded Turntrans-60.4-19.3177.7-26.735.6000114.5
118F89.4Confident92.6Very high199 Ų19985.2 Ų85.287%0.87344%0.439SS*.THydrogen-bonded Turntrans-101.419.3-179.4-55.7-72.4000113.3D116D116-F118 PolarHBondContact O-N 2.89Å
119C88.2Confident92.7Very high42 Ų4285.2 Ų85.228%0.28445%0.446SS..  trans-69.6142.3-179.964.90000113D116 L121D116-C119 HydrophobicContact CB-CB 4.23Å; D116-C119 WeakPolarHBondContact O-CB 3.23Å; D116-C119 PolarHBondContact O-N 2.85Å; D116-C119 VanDerWaalsContact O-N 3.12Å; D116-C119 PolarHBondContact O-SG 3.26Å; C119-L121 PolarHBondContact O-N 3.11Å
120I90.4Very high92.7Very high139 Ų13990.3 Ų90.371%0.71347%0.466SS*.  trans-84.9113.1176.4-60.9171.9000108.4S122 P123I120-S122 VanDerWaalsContact C-N 3.32Å; I120-S122 PolarHBondContact O-N 3.33Å; I120-P123 WeakPolarHBondContact O-CD 3.48Å
121L92Very high92.7Very high45 Ų4592.6 Ų92.624%0.23647%0.473CS..  trans-81.9-4.9-177.4-59.2177000114.1W108 I109 V113 C119 P123 I124 F125W108-L121 HydrophobicContact CZ3-CD2 4.07Å; I109-L121 HydrophobicContact CG1-CD2 4.45Å; I109-L121 HydrophobicContact CG2-CD1 4.28Å; I109-L121 HydrophobicContact CG2-CD2 4.46Å; V113-L121 HydrophobicContact CG2-CD2 4.33Å; C119-L121 PolarHBondContact O-N 3.11Å; L121-P123 VanDerWaalsContact C-N 3.32Å; L121-I124 HydrophobicContact CB-CG2 4.25Å; L121-I124 WeakPolarHBondContact O-CG2 3.01Å; L121-I124 PolarHBondContact O-N 3.36Å; L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CB-CE2 3.58Å; L121-F125 HydrophobicContact CB-CZ 4.24Å; L121-F125 WeakPolarHBondContact O-CD2 2.97Å; L121-F125 PolarHBondContact O-N 2.98Å
122S91.1Very high92.7Very high78 Ų7888.8 Ų88.855%0.54546%0.458SS..Hα-helixtrans-52.8-37.4-179.1-165.30000115.2I120 F125 S126I120-S122 VanDerWaalsContact C-N 3.32Å; I120-S122 PolarHBondContact O-N 3.33Å; S122-F125 PolarHBondContact O-N 2.98Å; S122-S126 PolarHBondContact O-N 2.83Å; S122-S126 PolarHBondContact O-OG 2.95Å
123P90.3Very high92.8Very high86 Ų8689.5 Ų89.556%0.55847%0.469SS*.Hα-helixtrans-65.7-37.1179.5-23.435.6000113.7I120 L121 F125 S126 D127I120-P123 WeakPolarHBondContact O-CD 3.48Å; L121-P123 VanDerWaalsContact C-N 3.32Å; P123-F125 VanDerWaalsContact C-N 3.34Å; P123-S126 WeakPolarHBondContact O-CB 3.29Å; P123-S126 PolarHBondContact O-N 3.09Å; P123-D127 PolarHBondContact O-N 3.36Å
124I93.3Very high92.7Very high19 Ų1988.1 Ų88.110%0.09747%0.468CS..Hα-helixtrans-71.4-32.8-178.5-171.664.3000111.5L105 W108 I109 L121 S126 D127 Y128L105-I124 HydrophobicContact CD1-CD1 4.42Å; L105-I124 HydrophobicContact CD1-CG1 3.46Å; L105-I124 VanDerWaalsContact CD1-CG1 3.46Å; L105-I124 HydrophobicContact CD1-CG2 4.35Å; W108-I124 HydrophobicContact CD2-CB 4.2Å; W108-I124 HydrophobicContact CD2-CD1 3.69Å; W108-I124 HydrophobicContact CD2-CG1 3.78Å; W108-I124 HydrophobicContact CE3-CB 3.67Å; W108-I124 HydrophobicContact CE3-CD1 4.02Å; W108-I124 HydrophobicContact CE3-CG1 3.55Å; W108-I124 HydrophobicContact CE3-CG2 3.76Å; W108-I124 HydrophobicContact CG-CD1 3.96Å; W108-I124 HydrophobicContact CG-CG1 4.34Å; W108-I124 HydrophobicContact CH2-CB 3.81Å; W108-I124 HydrophobicContact CH2-CG1 4.46Å; W108-I124 HydrophobicContact CH2-CG2 4.13Å; W108-I124 HydrophobicContact CZ2-CB 4.29Å; W108-I124 HydrophobicContact CZ2-CD1 4.41Å; W108-I124 HydrophobicContact CZ3-CB 3.47Å; W108-I124 VanDerWaalsContact CZ3-CB 3.47Å; W108-I124 HydrophobicContact CZ3-CG1 3.93Å; W108-I124 HydrophobicContact CZ3-CG2 3.41Å; W108-I124 VanDerWaalsContact CZ3-CG2 3.41Å; I109-I124 HydrophobicContact CG1-CG2 4.5Å; L121-I124 HydrophobicContact CB-CG2 4.25Å; L121-I124 WeakPolarHBondContact O-CG2 3.01Å; L121-I124 PolarHBondContact O-N 3.36Å; I124-S126 VanDerWaalsContact C-N 3.31Å; I124-S126 PolarHBondContact O-N 3.13Å; I124-D127 PolarHBondContact O-N 3.34Å; I124-Y128 WeakPolarHBondContact O-CB 3.35Å; I124-Y128 PolarHBondContact O-N 2.83Å
125F95.6Very high92.7Very high92 Ų9280.8 Ų80.840%0.40444%0.436SS..Hα-helixtrans-66.7-33.9174.8-62.5-57.2000112.1L121 S122 P123 D127 Y128 D129L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CB-CE2 3.58Å; L121-F125 HydrophobicContact CB-CZ 4.24Å; L121-F125 WeakPolarHBondContact O-CD2 2.97Å; L121-F125 PolarHBondContact O-N 2.98Å; S122-F125 PolarHBondContact O-N 2.98Å; P123-F125 VanDerWaalsContact C-N 3.34Å; F125-D127 VanDerWaalsContact C-N 3.3Å; F125-D127 PolarHBondContact O-N 2.79Å; F125-Y128 PolarHBondContact O-N 2.73Å; F125-D129 WeakPolarHBondContact O-CB 3.41Å; F125-D129 PolarHBondContact O-N 3.38Å
126S94Very high92.6Very high64 Ų6477.3 Ų77.345%0.44842%0.422SS..Hα-helixtrans-66.3-32.1173.6-59.10000112.9S122 P123 I124 K130S122-S126 PolarHBondContact O-N 2.83Å; S122-S126 PolarHBondContact O-OG 2.95Å; P123-S126 WeakPolarHBondContact O-CB 3.29Å; P123-S126 PolarHBondContact O-N 3.09Å; I124-S126 VanDerWaalsContact C-N 3.31Å; I124-S126 PolarHBondContact O-N 3.13Å; S126-K130 WeakPolarHBondContact O-CG 3.37Å; S126-K130 PolarHBondContact O-N 3.08Å
127D94.4Very high92.6Very high72 Ų7276.7 Ų76.739%0.38543%0.426SS..Hα-helixtrans-77-42.6175.8-166.160.2000111.4P123 I124 F125 D129 K130 H131P123-D127 PolarHBondContact O-N 3.36Å; I124-D127 PolarHBondContact O-N 3.34Å; F125-D127 VanDerWaalsContact C-N 3.3Å; F125-D127 PolarHBondContact O-N 2.79Å; D127-D129 VanDerWaalsContact C-N 3.32Å; D127-D129 PolarHBondContact O-N 2.97Å; D127-K130 WeakPolarHBondContact O-CB 3.35Å; D127-K130 PolarHBondContact O-N 2.84Å; D127-K130 VanDerWaalsContact O-N 3.1Å; D127-H131 PolarHBondContact O-CD2 3.05Å; D127-H131 VanDerWaalsContact O-CD2 3.28Å; D127-H131 PolarHBondContact O-N 3.16Å; D127-H131 IonicContact OD2-CD2 3.7Å; D127-H131 IonicContact OD2-NE2 2.82Å
128Y96.5Very high92.6Very high44 Ų4478.9 Ų78.917%0.17343%0.425CS..Hα-helixtrans-55.4-46.1172.7179.9-90.6000111.7L101 N102 L105 I124 F125 K130 H131 L132L101-Y128 HydrophobicContact CD1-CD2 4Å; L101-Y128 HydrophobicContact CD1-CE2 4.35Å; L101-Y128 HydrophobicContact CD2-CD2 3.83Å; L101-Y128 HydrophobicContact CD2-CE2 3.58Å; L101-Y128 HydrophobicContact CG-CD2 3.7Å; L101-Y128 HydrophobicContact CG-CE2 3.54Å; N102-Y128 WeakPolarHBondContact OD1-CE2 3.43Å; N102-Y128 PolarHBondContact OD1-OH 3.15Å; L105-Y128 HydrophobicContact CB-CD2 4.22Å; L105-Y128 HydrophobicContact CD1-CD2 4.38Å; L105-Y128 HydrophobicContact CD2-CD2 3.68Å; L105-Y128 HydrophobicContact CD2-CE2 3.87Å; L105-Y128 HydrophobicContact CD2-CG 4.25Å; L105-Y128 HydrophobicContact CG-CD2 4.3Å; I124-Y128 WeakPolarHBondContact O-CB 3.35Å; I124-Y128 PolarHBondContact O-N 2.83Å; F125-Y128 PolarHBondContact O-N 2.73Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-K130 PolarHBondContact O-N 3.34Å; Y128-H131 PolarHBondContact O-N 2.89Å; Y128-H131 VanDerWaalsContact O-N 3.14Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD2 4.14Å; Y128-L132 WeakPolarHBondContact O-CB 3.5Å; Y128-L132 PolarHBondContact O-N 3.15Å
129D94.6Very high92.5Very high90 Ų9070.1 Ų70.148%0.48139%0.387SS..Hα-helixtrans-61.8-35.5178-72.1-18.7000112.5F125 D127 S133F125-D129 WeakPolarHBondContact O-CB 3.41Å; F125-D129 PolarHBondContact O-N 3.38Å; D127-D129 VanDerWaalsContact C-N 3.32Å; D127-D129 PolarHBondContact O-N 2.97Å; D129-S133 WeakPolarHBondContact O-CB 3.22Å; D129-S133 PolarHBondContact O-N 3.32Å; D129-S133 PolarHBondContact O-OG 2.86Å
130K95.2Very high92.1Very high145 Ų14572.1 Ų72.163%0.6340%0.4SS*.Hα-helixtrans-66.5-44.5173.7-69.7170.6-174.1175.40111.4S126 D127 Y128 S133 G134S126-K130 WeakPolarHBondContact O-CG 3.37Å; S126-K130 PolarHBondContact O-N 3.08Å; D127-K130 WeakPolarHBondContact O-CB 3.35Å; D127-K130 PolarHBondContact O-N 2.84Å; D127-K130 VanDerWaalsContact O-N 3.1Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-K130 PolarHBondContact O-N 3.34Å; K130-S133 WeakPolarHBondContact O-CB 3.37Å; K130-S133 PolarHBondContact O-N 3.36Å; K130-G134 PolarHBondContact O-N 3.49Å
131H94.1Very high91.2Very high98 Ų9872 Ų7245%0.45439%0.394SS..Hα-helixtrans-65-41.8177.2-81-75000111.9L101 D127 Y128 S133 G134 I135L101-H131 HydrophobicContact CD1-CB 3.57Å; L101-H131 HydrophobicContact CD2-CB 3.87Å; L101-H131 HydrophobicContact CG-CB 4.38Å; D127-H131 PolarHBondContact O-CD2 3.05Å; D127-H131 VanDerWaalsContact O-CD2 3.28Å; D127-H131 PolarHBondContact O-N 3.16Å; D127-H131 IonicContact OD2-CD2 3.7Å; D127-H131 IonicContact OD2-NE2 2.82Å; Y128-H131 PolarHBondContact O-N 2.89Å; Y128-H131 VanDerWaalsContact O-N 3.14Å; H131-S133 VanDerWaalsContact C-N 3.33Å; H131-S133 PolarHBondContact O-N 3.21Å; H131-G134 WeakPolarHBondContact O-CA 3.33Å; H131-G134 PolarHBondContact O-N 3.38Å; H131-G134 VanDerWaalsContact O-N 3.11Å; H131-I135 WeakPolarHBondContact O-CG1 3.45Å; H131-I135 PolarHBondContact O-N 3.46Å
132L94.9Very high89.8Confident44 Ų4471.5 Ų71.523%0.2339%0.39CS..Hα-helixtrans-61.7-42.3175.2-170.765.9000111.2L98 L101 Y128 G134 I135 N136L98-L132 HydrophobicContact CD1-CD1 3.77Å; L101-L132 HydrophobicContact CD2-CB 4.49Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD2 4.14Å; Y128-L132 WeakPolarHBondContact O-CB 3.5Å; Y128-L132 PolarHBondContact O-N 3.15Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 PolarHBondContact O-N 3.48Å; L132-I135 PolarHBondContact O-N 3.22Å; L132-N136 WeakPolarHBondContact O-CB 3.18Å; L132-N136 VanDerWaalsContact O-CG 3.26Å; L132-N136 PolarHBondContact O-N 3.12Å; L132-N136 PolarHBondContact O-ND2 3.04Å
133S93.1Very high88.2Confident68 Ų6871 Ų7148%0.47639%0.387SS..Hα-helixtrans-61.4-38.7173.1-59.30000112.3D129 K130 H131 S137D129-S133 WeakPolarHBondContact O-CB 3.22Å; D129-S133 PolarHBondContact O-N 3.32Å; D129-S133 PolarHBondContact O-OG 2.86Å; K130-S133 WeakPolarHBondContact O-CB 3.37Å; K130-S133 PolarHBondContact O-N 3.36Å; H131-S133 VanDerWaalsContact C-N 3.33Å; H131-S133 PolarHBondContact O-N 3.21Å; S133-S137 WeakPolarHBondContact O-CB 3.45Å; S133-S137 PolarHBondContact O-N 3.31Å; S133-S137 PolarHBondContact O-OG 3.19Å
134G93.5Very high86.4Confident33 Ų3371.6 Ų71.634%0.3439%0.393SS..Hα-helixtrans-65.9-39.317500000113.4K130 H131 L132 S137 K138K130-G134 PolarHBondContact O-N 3.49Å; H131-G134 WeakPolarHBondContact O-CA 3.33Å; H131-G134 PolarHBondContact O-N 3.38Å; H131-G134 VanDerWaalsContact O-N 3.11Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 PolarHBondContact O-N 3.48Å; G134-S137 PolarHBondContact O-N 2.9Å; G134-K138 WeakPolarHBondContact O-CG 3.41Å; G134-K138 PolarHBondContact O-N 3.08Å
135I92.3Very high84.2Confident13 Ų1375.5 Ų75.57%0.06742%0.418CS..Hα-helixtrans-67.4-46.9175.4-64.6169.2000110Y94 H97 L101 H131 L132 S137 K138 F139Y94-I135 HydrophobicContact CD2-CG2 3.41Å; Y94-I135 VanDerWaalsContact CD2-CG2 3.41Å; Y94-I135 HydrophobicContact CE2-CG2 3.49Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.49Å; Y94-I135 HydrophobicContact CG-CG2 4.43Å; H97-I135 HydrophobicContact CB-CD1 4.05Å; H97-I135 HydrophobicContact CB-CG1 4.14Å; H97-I135 HydrophobicContact CB-CG2 4.23Å; L101-I135 HydrophobicContact CB-CD1 4.23Å; L101-I135 HydrophobicContact CD2-CD1 3.79Å; H131-I135 WeakPolarHBondContact O-CG1 3.45Å; H131-I135 PolarHBondContact O-N 3.46Å; L132-I135 PolarHBondContact O-N 3.22Å; I135-S137 PolarHBondContact O-N 3.07Å; I135-K138 PolarHBondContact O-N 3.03Å; I135-F139 HydrophobicContact CG2-CD2 4.21Å; I135-F139 PolarHBondContact O-N 3.01Å
136N91.5Very high81.5Confident48 Ų4878.3 Ų78.326%0.25744%0.437SS..Hα-helixtrans-61-33.4177.3-71.2-20.3000112.4L132 F139 P140L132-N136 WeakPolarHBondContact O-CB 3.18Å; L132-N136 VanDerWaalsContact O-CG 3.26Å; L132-N136 PolarHBondContact O-N 3.12Å; L132-N136 PolarHBondContact O-ND2 3.04Å; N136-F139 CarbonylContact O-C 3.58Å; N136-P140 WeakPolarHBondContact O-CA 3.45Å
137S90.3Very high78.7Confident96 Ų9679.6 Ų79.667%0.67145%0.451SS*.Hα-helixtrans-69.2-32.4175.3-59.80000113S133 G134 I135S133-S137 WeakPolarHBondContact O-CB 3.45Å; S133-S137 PolarHBondContact O-N 3.31Å; S133-S137 PolarHBondContact O-OG 3.19Å; G134-S137 PolarHBondContact O-N 2.9Å; I135-S137 PolarHBondContact O-N 3.07Å
138K90Very high76Confident141 Ų14182 Ų8261%0.61347%0.468SS*.Hα-helixtrans-76.7-34176.7-71.5178.6179.8-172.70112.3G134 I135 P140G134-K138 WeakPolarHBondContact O-CG 3.41Å; G134-K138 PolarHBondContact O-N 3.08Å; I135-K138 PolarHBondContact O-N 3.03Å; K138-P140 VanDerWaalsContact C-CD 3.46Å; K138-P140 WeakPolarHBondContact O-CD 3.41Å
139F88.2Confident72.8Confident16 Ų1685.5 Ų85.57%0.0750%0.497CS..  trans-124.268.4-175.9-56-77.8000111.2E90 E93 Y94 H97 I135 N136 K141 Q142E90-F139 HydrophobicContact CB-CD1 4.15Å; E90-F139 WeakPolarHBondContact O-CD1 3.1Å; E93-F139 HydrophobicContact CB-CE1 3.82Å; E93-F139 HydrophobicContact CB-CZ 3.68Å; Y94-F139 HydrophobicContact CD2-CB 3.81Å; Y94-F139 AromaticContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CG 4.14Å; Y94-F139 HydrophobicContact CG-CB 4.35Å; Y94-F139 HydrophobicContact CG-CD2 4.41Å; Y94-F139 HydrophobicContact CG-CG 4.49Å; H97-F139 AromaticContact ND1-CE2 3.86Å; I135-F139 HydrophobicContact CG2-CD2 4.21Å; I135-F139 PolarHBondContact O-N 3.01Å; N136-F139 CarbonylContact O-C 3.58Å; F139-K141 PolarHBondContact O-N 2.65Å; F139-Q142 HydrophobicContact CB-CB 4.26Å; F139-Q142 HydrophobicContact CB-CG 4.25Å; F139-Q142 PolarHBondContact O-N 2.67Å; F139-Q142 VanDerWaalsContact O-N 3.15Å
140P79.7Confident69.9Low84 Ų8489 Ų8955%0.54551%0.514SS..THydrogen-bonded Turntrans-61.2-31.5-172.822.3-32.9000113.1N136 K138 Q142 S143N136-P140 WeakPolarHBondContact O-CA 3.45Å; K138-P140 VanDerWaalsContact C-CD 3.46Å; K138-P140 WeakPolarHBondContact O-CD 3.41Å; P140-Q142 VanDerWaalsContact C-N 3.28Å; P140-Q142 PolarHBondContact O-N 3.31Å; P140-S143 PolarHBondContact O-N 3.37Å; P140-S143 PolarHBondContact O-OG 2.7Å
141K69.9Low67.1Low137 Ų13790 Ų9060%0.59653%0.526SS*.THydrogen-bonded Turntrans-68.5-24.3-179.1-61.3-175.2-161.1137.20113.9E90 F139E90-K141 IonicContact OE1-NZ 3.41Å; E90-K141 PolarHBondContact OE1-NZ 2.66Å; E90-K141 VanDerWaalsContact OE1-NZ 3.14Å; E90-K141 WeakPolarHBondContact OE2-CD 3.48Å; E90-K141 IonicContact OE2-NZ 3.14Å; E90-K141 PolarHBondContact OE2-NZ 2.95Å; F139-K141 PolarHBondContact O-N 2.65Å
142Q62.7Low64.3Low34 Ų3493.6 Ų93.616%0.15954%0.543CS..THydrogen-bonded Turntrans-88.3-23.8-176.5-69.1-106.6-62.200112.5E91 Y94 F139 P140 S144E91-Q142 VanDerWaalsContact CA-NE2 3.27Å; E91-Q142 VanDerWaalsContact CA-OE1 3.31Å; Y94-Q142 HydrophobicContact CD1-CB 4.11Å; Y94-Q142 HydrophobicContact CD1-CG 4.41Å; Y94-Q142 HydrophobicContact CD2-CB 4Å; Y94-Q142 HydrophobicContact CE1-CB 4.33Å; Y94-Q142 HydrophobicContact CE2-CB 4.24Å; Y94-Q142 HydrophobicContact CG-CB 3.92Å; Y94-Q142 HydrophobicContact CG-CG 4.12Å; F139-Q142 HydrophobicContact CB-CB 4.26Å; F139-Q142 HydrophobicContact CB-CG 4.25Å; F139-Q142 PolarHBondContact O-N 2.67Å; F139-Q142 VanDerWaalsContact O-N 3.15Å; P140-Q142 VanDerWaalsContact C-N 3.28Å; P140-Q142 PolarHBondContact O-N 3.31Å; Q142-S144 PolarHBondContact O-N 3.43Å
143S58Low61.4Low67 Ų67101 Ų10147%0.46957%0.573SS.*THydrogen-bonded Turntrans-70-10.7179.371.70000114.1P140P140-S143 PolarHBondContact O-N 3.37Å; P140-S143 PolarHBondContact O-OG 2.7Å
144S52.9Low58.4Low98 Ų98106.2 Ų106.269%0.68559%0.587SS**THydrogen-bonded Turntrans-106.410.8-173.976.60000115.2Q142Q142-S144 PolarHBondContact O-N 3.43Å
145V47.4Very low55.5Low102 Ų102113.8 Ų113.862%0.61861%0.614SS**SBendtrans-135133.4178.1-149.90000107.5
146D38.6Very low52.6Low150 Ų150117.7 Ų117.780%0.80265%0.648SS**  trans83.136.6-171.7-56.6-21.8000117.6
147A34.8Very low50.1Low91 Ų91120.8 Ų120.875%0.75267%0.673SS**SBend-76.1102.5125.400000106.3P149A147-P149 WeakPolarHBondContact O-CD 3.39Å; A147-P149 VanDerWaalsContact O-N 3.09Å
148V36.9Very low47.5Very low122 Ų122121.7 Ų121.774%0.73968%0.68SS**  trans-45.6122.9167.5178.90000107L150V148-L150 VanDerWaalsContact C-N 3.26Å; V148-L150 PolarHBondContact O-N 2.84Å
149P30.8Very low45Very low119 Ų119126.9 Ų126.977%0.77370%0.695SS**  trans-63.892.6177.6-19.331.2000108.8A147 L151A147-P149 WeakPolarHBondContact O-CD 3.39Å; A147-P149 VanDerWaalsContact O-N 3.09Å; P149-L151 VanDerWaalsContact C-N 3.28Å; P149-L151 PolarHBondContact O-N 3.14Å
150L33.2Very low42.6Very low163 Ų163134.1 Ų134.185%0.85373%0.734SS**  trans-58.8101.6155.9-179.868.3000105.2V148 E152V148-L150 VanDerWaalsContact C-N 3.26Å; V148-L150 PolarHBondContact O-N 2.84Å; L150-E152 PolarHBondContact O-N 3.46Å
151L37.1Very low40.8Very low166 Ų166137.6 Ų137.687%0.86975%0.746SS**  trans-43.2109-179.6-124.1156.6000109.8P149 K153P149-L151 VanDerWaalsContact C-N 3.28Å; P149-L151 PolarHBondContact O-N 3.14Å; L151-K153 PolarHBondContact O-N 3.15Å
152E33.8Very low39.2Very low173 Ų173135 Ų13581%0.80875%0.751SS**  trans-54.4126174.1-78.1177.7108.200110.5L150L150-E152 PolarHBondContact O-N 3.46Å
153K33.8Very low38Very low199 Ų199142.6 Ų142.687%0.86578%0.783SS**  -138.799.2125.5-152.1173-176.2178.70108.7L151L151-K153 PolarHBondContact O-N 3.15Å
154K31.2Very low37Very low179 Ų179145.5 Ų145.578%0.77880%0.798SS**  trans17.8115.5151.6-68.2178.4174.5179.90115.4
155E33.3Very low36.6Very low192 Ų192146.2 Ų146.290%0.89780%0.803SS**  -172136.2106.4-100.2169.1-165.500111.5
156A31Very low36.3Very low94 Ų94150.7 Ų150.778%0.77782%0.818SS**  trans-63.2133.717900000111.4
157S37.8Very low36.4Very low114 Ų114148.4 Ų148.480%0.79782%0.819SS**  trans-157.592.6146.9-91.70000110.1
158S36.3Very low36.8Very low115 Ų115151.8 Ų151.880%0.80482%0.823SS**  trans-22.3124.3142.734.10000113.9
159R37.2Very low37Very low249 Ų249154.2 Ų154.294%0.9483%0.826SS**  trans-104.197.4150.7-104.1-176-177.7-1631.4107.4
160L38.6Very low37.4Very low168 Ų168155 Ų15588%0.8883%0.829SS**  trans-121.7145.3145.6-88.4174.6000109.1
161I41.4Very low37.6Very low157 Ų157153.1 Ų153.181%0.80583%0.827SS**  trans-85.8130.7-164.6-69.2159.2000109.1
162A35.8Very low37.6Very low84 Ų84149.6 Ų149.669%0.69482%0.822SS**  trans61.4136.9142.900000123.1
163K39Very low37.8Very low192 Ų192148.8 Ų148.884%0.83582%0.823SS**  trans101.790.8148.5-74.2-179.5176.5-178.20119.6
164T36.1Very low38.1Very low128 Ų128144.7 Ų144.779%0.78582%0.819SS**  43.1135.2117.2-16.20000122.1
165S45Very low38.6Very low114 Ų114141 Ų14180%0.79782%0.822SS**  trans87.810915030.20000120.1
166E40.3Very low39.1Very low196 Ų196137.2 Ų137.292%0.91681%0.814SS**  trans-52137157.5-66.8162.9129.400112.8
167A42Very low39.6Very low102 Ų102140.6 Ų140.684%0.84382%0.819SS**  -173.8141.9115.500000109.8
168I42Very low40Very low161 Ų161139.9 Ų139.983%0.82681%0.814SS**  trans-72.3136.9-170.8-58.2163.9000109.6
169E40.8Very low40.7Very low173 Ų173141.4 Ų141.481%0.80881%0.812SS**  163.8124.6125.2-83.9-177.6-171.200113.2
170T40.7Very low41.4Very low137 Ų137139.5 Ų139.584%0.8481%0.811SS**  trans67.3141.9151.226.10000123.9
171P36.5Very low42Very low122 Ų122137.6 Ų137.679%0.79281%0.806SS**  trans-106.6148.7-165.539.1-28.8000114.8
172A36.7Very low42.8Very low93 Ų93139.4 Ų139.477%0.76981%0.808SS**  trans178.9128.4140.300000113.8
173N38.9Very low43.1Very low156 Ų156138.5 Ų138.583%0.83481%0.807SS**  trans63117.5145.4-76.6-9000124.2
174S39.7Very low43.5Very low113 Ų113135.7 Ų135.779%0.7980%0.801SS**  87.9117.6124.768.50000122.4
175A42.5Very low43.7Very low101 Ų101134.9 Ų134.984%0.83580%0.801SS**  trans80.7127.9143.200000121.2
176P42.4Very low44Very low113 Ų113137.1 Ų137.173%0.73480%0.802SS**  trans-101.6166.8-177.540.4-33.2000113.4
177N41.2Very low44.4Very low165 Ų165133.2 Ų133.288%0.88280%0.797SS**  trans175.1157145.7-83.7-27.1000113.4
178S46.2Very low44.2Very low98 Ų98137.2 Ų137.269%0.68580%0.795SS**  trans95.296.6171.5-159.50000115.2
179I52.5Low44.5Very low147 Ų147135.3 Ų135.375%0.75480%0.796SS**  51.911267.3-52.1178000113.4V181I179-V181 HydrophobicContact CG2-CG2 4.31Å
180F51.1Low44.8Very low209 Ų209132.3 Ų132.392%0.91779%0.79SS**  trans-130.2124.8160.3-94.1-86000109
181V51.8Low45Very low129 Ų129131.2 Ų131.278%0.78279%0.785SS**  trans-116.8131.6172172.30000106.6I179I179-V181 HydrophobicContact CG2-CG2 4.31Å
182F57.8Low45.3Very low194 Ų194133.9 Ų133.985%0.85179%0.791SS**  trans-119.6104170.8-170.1-102.4000109.1N184F182-N184 HydrophobicContact CE1-CB 4.36Å
183G41.3Very low45.4Very low66 Ų66134.3 Ų134.368%0.6879%0.788SS**  trans-113131.7164.700000108.5
184N49Very low45.4Very low132 Ų132132.7 Ų132.771%0.70679%0.789SS**  trans-113.7114.5170.8-167.246.6000108.1F182F182-N184 HydrophobicContact CE1-CB 4.36Å
185S40.2Very low45.5Very low111 Ų111131.3 Ų131.378%0.77679%0.793SS**  trans-110.513017119.80000107.3
186I49.5Very low45.2Very low161 Ų161131.6 Ų131.683%0.82679%0.789SS**  trans-116.4143.4170.1-126.6166.2000110
187S50.4Low44.9Very low115 Ų115130.7 Ų130.780%0.80479%0.785SS**  trans-88.9150.4-152.5-36.70000114.2
188K37.8Very low44.8Very low186 Ų186129.1 Ų129.181%0.80978%0.782SS**  trans-56.2144.9170-169172.5-172.2170.80114.2
189S48Very low44.3Very low121 Ų121131.6 Ų131.685%0.84679%0.787SS**  trans-140.6141.5146.5640000110.9
190T46.1Very low43.4Very low110 Ų110129 Ų12968%0.67578%0.781SS**  trans-146.9171-178.230.30000104.6
191P44.9Very low42.8Very low114 Ų114124.8 Ų124.874%0.7477%0.773SS**  cis-132.6-176.5-24.832.9-12.8000111.1
192I44.1Very low42.5Very low177 Ų177124.3 Ų124.391%0.90877%0.766SS**  trans-160.8136.6146.5-100.1149.4000109.5
193S37.5Very low42.2Very low102 Ų102123 Ų12371%0.71376%0.76SS**  trans-102.3168.1-179.267.40000112.7
194S38.6Very low42.8Very low123 Ų123129.7 Ų129.786%0.8677%0.77SS**  trans93.2133.1155.478.50000117.7
195G42.8Very low42.9Very low84 Ų84129.5 Ų129.587%0.86678%0.776SS**  trans143.1107.416600000113.7
196S36.8Very low43.4Very low107 Ų107131.5 Ų131.575%0.74878%0.776SS**  trans-89.8145.8-176.6165.60000112.6
197S36.3Very low43.5Very low94 Ų94132.7 Ų132.766%0.65778%0.776SS**  trans64.8139.3142.563.10000122.9
198T38Very low43.8Very low132 Ų132131.9 Ų131.981%0.8177%0.77SS**  trans104.9115.4152.266.50000118.9
199D35.7Very low44.7Very low149 Ų149131.7 Ų131.780%0.79777%0.77SS**  trans62122.1140-90.4-5.2000123.6
200C33.2Very low44.7Very low92 Ų92129.5 Ų129.562%0.62277%0.766SS**  72.3117.5128-64.30000121.8
201T39.4Very low45.5Very low122 Ų122131.6 Ų131.675%0.74877%0.772SS**  trans60.9109.4134.862.20000118.7
202D44.5Very low46.5Very low119 Ų119131.6 Ų131.664%0.63677%0.772SS**  164.1132.3102-101.7-20.3000113.4
203K51.7Low47.2Very low166 Ų166128.9 Ų128.972%0.72277%0.766SS**  trans59.4118.6138.2-60.9169.3-177132.10120.5
204K54.6Low47.7Very low206 Ų206132.1 Ų132.190%0.89677%0.774SS**  -177.1156.4114-96.6165.8-173.3-178.40111.5
205P50.9Low48.2Very low128 Ų128132.5 Ų132.583%0.83177%0.771SS**PPolyproline II helix-101154.7-114.235.8-36.1000115.8
206I51.3Low48.2Very low154 Ų154134.3 Ų134.379%0.7977%0.765SS**PPolyproline II helixtrans-87.5133171-151.497.3000109.1
207F51.3Low48.5Very low185 Ų185135 Ų13581%0.81177%0.766SS**PPolyproline II helixtrans-80.6123.3175.1-161.9-97.7000108.8F209F207-F209 HydrophobicContact CD1-CD2 4.36Å; F207-F209 AromaticContact CE1-CD2 3.79Å; F207-F209 HydrophobicContact CE1-CD2 3.79Å; F207-F209 AromaticContact CE1-CE2 3.8Å; F207-F209 HydrophobicContact CE1-CE2 3.8Å
208S55.2Low49Very low98 Ų98135.2 Ų135.269%0.68577%0.767SS**  trans-127.6113-179.1-63.90000110.4G210S208-G210 PolarHBondContact O-N 3.38Å
209F58.6Low49.3Very low183 Ų183135.7 Ų135.780%0.80376%0.764SS**PPolyproline II helixtrans-72.1116169.4-111.6-97000109F207 L211F207-F209 HydrophobicContact CD1-CD2 4.36Å; F207-F209 AromaticContact CE1-CD2 3.79Å; F207-F209 HydrophobicContact CE1-CD2 3.79Å; F207-F209 AromaticContact CE1-CE2 3.8Å; F207-F209 HydrophobicContact CE1-CE2 3.8Å; F209-L211 PolarHBondContact O-N 3.29Å
210G46.4Very low49.8Very low74 Ų74137.4 Ų137.476%0.76377%0.765SS**PPolyproline II helixtrans-76.6117.7178.600000112.1S208S208-G210 PolarHBondContact O-N 3.38Å
211L62.6Low50.3Low154 Ų154142.9 Ų142.981%0.80678%0.778SS**PPolyproline II helixtrans-101.6137.7150.9-84.885.6000108.2F209F209-L211 PolarHBondContact O-N 3.29Å
212P66.8Low50.7Low114 Ų114141.5 Ų141.574%0.7477%0.773SS**PPolyproline II helixtrans-72.1144.4172.729.1-32.6000111.3
213P58.8Low51.2Low121 Ų121142.1 Ų142.179%0.78678%0.784SS**PPolyproline II helixtrans-74.5130.9178.229.4-31.5000111.2T215P213-T215 PolarHBondContact O-N 3.5Å
214I48.2Very low51.1Low170 Ų170138.7 Ų138.787%0.87278%0.781SS**PPolyproline II helixtrans-77.6116.5170.8-70171.9000108.7
215T48.3Very low50.8Low130 Ų130135.3 Ų135.380%0.79877%0.772SS**PPolyproline II helixtrans-94.2124.416546.30000111P213P213-T215 PolarHBondContact O-N 3.5Å
216T43.8Very low50.9Low123 Ų123138.6 Ų138.676%0.75577%0.774SS**  trans-38.8126.8168.4-40.60000114.9
217T43.3Very low51Low122 Ų122139.2 Ų139.275%0.74877%0.773SS**  157.9123.6117.638.60000113.5
218S45.4Very low51.6Low97 Ų97138.8 Ų138.868%0.67877%0.771SS**  trans52.1108.4148.564.80000120.7
219N46.1Very low52.1Low143 Ų143139.8 Ų139.877%0.76578%0.776SS**  164.8130102.4-86.6-32.8000112.1
220K45.8Very low51.8Low184 Ų184136.4 Ų136.480%0.878%0.775SS**  trans25.3117.3145.6-51.5-178.6-178.1179.90118.4
221F42.1Very low52.3Low208 Ų208139.7 Ų139.791%0.91278%0.78SS**  170.5154113.5-112.2-101.7000112.2
222S48.3Very low51.6Low92 Ų92137 Ų13764%0.64377%0.773SS**  trans-35.8149.1-179.6155.90000118.5
223P56.2Low50.4Low133 Ų133137.1 Ų137.186%0.86478%0.777SS**  trans-87122.4165.434-26.8000110.2
224S49.3Very low50Low94 Ų94141.4 Ų141.466%0.65778%0.784SS**  trans-128.8138.8167.51790000107.4
225L48.4Very low50Low134 Ų134138.7 Ų138.770%0.70278%0.78SS**  trans67.9100.2162.7-98.462.8000118.2Q227L225-Q227 PolarHBondContact O-N 3.48Å
226F53.2Low50.3Low198 Ų198141.8 Ų141.887%0.86879%0.785SS**  trans-62.3116.8145.2-75.9-87.9000108.9
227Q53.3Low50.4Low166 Ų166145.2 Ų145.278%0.77679%0.789SS**  trans-125.4109169.2-165.2135.3-64.400108.2L225L225-Q227 PolarHBondContact O-N 3.48Å
228F64.3Low50.2Low176 Ų176145.1 Ų145.177%0.77279%0.791SS**PPolyproline II helixtrans-69.8140.2172-66.1-88.2000109.3S230F228-S230 PolarHBondContact O-N 3.18Å
229P65.9Low50.2Low120 Ų120145.1 Ų145.178%0.77980%0.797SS**PPolyproline II helixtrans-72.1117.617229.4-29.5000109V231P229-V231 PolarHBondContact O-N 2.84Å
230S51.2Low49.9Very low112 Ų112145.4 Ų145.478%0.78380%0.798SS**PPolyproline II helixtrans-53.6119.8163.6178.90000110F228F228-S230 PolarHBondContact O-N 3.18Å
231V57.2Low49.9Very low143 Ų143143.9 Ų143.987%0.86780%0.798SS**PPolyproline II helixtrans-89.5120155.5-70.50000107.7P229P229-V231 PolarHBondContact O-N 2.84Å
232S47.1Very low50.4Low97 Ų97141.3 Ų141.368%0.67879%0.794SS**PPolyproline II helixtrans-75.9144.1-17448.10000112.8
233S42.8Very low50.5Low116 Ų116142 Ų14281%0.81180%0.796SS**  trans77.391.4141.6-550000118.8
234F49.7Very low49.9Very low212 Ų212144.4 Ų144.493%0.9379%0.793SS**  trans-137.294.4143.3-167-103.2000109.4
235S47.6Very low49.6Very low113 Ų113147.1 Ų147.179%0.7980%0.796SS**  trans-152.1105.9165.6-177.20000106.7
236Q56.3Low49.2Very low194 Ų194147.5 Ų147.591%0.90780%0.798SS**  trans-157.8133150.3-109.1165.613.200112.2
237K46.1Very low48.6Very low195 Ų195142.6 Ų142.685%0.84878%0.784SS**  trans-60.9160.7-178.2-173.2-179.3-170.9-176.20114.1
238P38.6Very low48Very low121 Ų121140.8 Ų140.879%0.78678%0.78SS**  trans-89.2144.5179.335.4-32.7000112.7
239A44.8Very low46.9Very low97 Ų97138.3 Ų138.380%0.80278%0.775SS**  trans-175.1108.5147.200000111.5
240N41.2Very low46Very low148 Ų148140.4 Ų140.479%0.79178%0.775SS**  trans47.1143.7132.4-133.7-18.4000122.8
241L44.4Very low45.6Very low153 Ų153144 Ų14480%0.80178%0.779SS**  trans103.383.4158.5-56.1158000118.1
242D52.7Low45Very low153 Ų153140.4 Ų140.482%0.81877%0.771SS**  27.4155.6120.7-83.7-24.5000123.9
243P50.2Low44.8Very low106 Ų106143 Ų14369%0.68878%0.777SS**  -123.8174.1-128.242.8-30.9000114.9
244K43.6Very low45Very low184 Ų184143.7 Ų143.780%0.877%0.772SS**  trans174131.4133.8-99.4171.5-177.7179.50115.7
245Q43.6Very low45.3Very low152 Ų152140.5 Ų140.571%0.7177%0.765SS**  trans80.7120.9132.4-80.3178.3-32.200123.7
246N40.4Very low45.8Very low142 Ų142143.3 Ų143.376%0.75977%0.771SS**  75.1145.5128.7-799.2000120.1
247T39.7Very low46.2Very low94 Ų94143.2 Ų143.258%0.57777%0.77SS**  cis-170.8160.2-25.8-420000105.2
248N40.8Very low47.5Very low129 Ų129142.6 Ų142.669%0.6977%0.77SS**  trans84.9106.6151.5-66.2-21.7000119
249N41.6Very low49.1Very low124 Ų124145.5 Ų145.566%0.66377%0.767SS**  141.8134.179.1-100.9-12.1000114.2
250Q46Very low50.4Low164 Ų164147.1 Ų147.177%0.76676%0.761SS**  trans71.9143.5150.5-62.6171.12800118.2
251Q44Very low52.1Low187 Ų187144 Ų14487%0.87475%0.749SS**  cis180143-11.5174.4152.3-7.100105.5
252G42.9Very low53.6Low68 Ų68141.8 Ų141.870%0.70174%0.743SS**  trans136.689.8173.400000111.3
253D43.6Very low54.4Low150 Ų150143.1 Ų143.180%0.80274%0.742SS**  88.2123.274.1-159.538.1000111.9
254D48.2Very low55.5Low131 Ų131143.6 Ų143.670%0.70175%0.745SS**  trans71.4128.5166-79.5-22.5000123.5
255D54.5Low56.5Low146 Ų146143.4 Ų143.478%0.78175%0.747SS**  trans79.956.1156.6-61.4-25.6000120.6
256D58.4Low57.4Low172 Ų172141.7 Ų141.792%0.9275%0.746SS**  trans-104.768.2160.8-73.9-40.7000111.6
257E65Low58.5Low192 Ų192143.6 Ų143.690%0.89775%0.748SS**  trans-92.587.3157.8-76.7-173.1174.200108.9Y259E257-Y259 PolarHBondContact O-N 3.09Å
258E72.5Confident59.6Low182 Ų182145.6 Ų145.685%0.8576%0.755SS**  trans-61.1103176-172167.2-170.200110.2I260E258-I260 PolarHBondContact O-N 3.3Å
259Y73.2Confident60.6Low182 Ų182144.5 Ų144.571%0.71474%0.744SS**  trans-59.2106.2175.6177.5-99.7000110.1E257 P261E257-Y259 PolarHBondContact O-N 3.09Å; Y259-P261 HydrophobicContact CD1-CG 4.11Å; Y259-P261 HydrophobicContact CE1-CB 4.15Å; Y259-P261 HydrophobicContact CE1-CG 3.92Å; Y259-P261 VanDerWaalsContact O-CD 3.28Å; Y259-P261 WeakPolarHBondContact O-CD 2.89Å
260I72.8Confident61.9Low131 Ų131147.7 Ų147.767%0.67275%0.752SS**  trans-87.1109.7169.9-56.1173.7000107.3E258E258-I260 PolarHBondContact O-N 3.3Å
261P76.9Confident63Low83 Ų83140.8 Ų140.854%0.53972%0.72SS.*  trans-56.4136176.7-22.633.1000110.2Y259 K263Y259-P261 HydrophobicContact CD1-CG 4.11Å; Y259-P261 HydrophobicContact CE1-CB 4.15Å; Y259-P261 HydrophobicContact CE1-CG 3.92Å; Y259-P261 VanDerWaalsContact O-CD 3.28Å; Y259-P261 WeakPolarHBondContact O-CD 2.89Å; P261-K263 PolarHBondContact O-N 3.34Å
262P74.1Confident64.5Low105 Ų105140.4 Ų140.468%0.68272%0.718SS**  trans-52.7111.5178.3-24.432000109.9P264P262-P264 WeakPolarHBondContact O-CD 3.44Å; P262-P264 VanDerWaalsContact O-N 3.16Å
263K70.9Confident66.3Low182 Ų182140 Ų14079%0.79171%0.713SS**  trans-61.7117.8175.6-73.3177.1-177169.40106.9P261 E265P261-K263 PolarHBondContact O-N 3.34Å; K263-E265 PolarHBondContact O-N 2.87Å
264P72Confident68.4Low115 Ų115134.3 Ų134.375%0.74769%0.686SS**  trans-58.2113.7175.2-2132.5000108.2P262 V266P262-P264 WeakPolarHBondContact O-CD 3.44Å; P262-P264 VanDerWaalsContact O-N 3.16Å; P264-V266 VanDerWaalsContact C-N 3.33Å; P264-V266 PolarHBondContact O-N 3.25Å
265E66.2Low70.3Confident181 Ų181131.9 Ų131.985%0.84668%0.675SS**  trans-68.796.1174.5-166.7178.6-178.600107.2K263 K267K263-E265 PolarHBondContact O-N 2.87Å; E265-K267 PolarHBondContact O-N 3.33Å
266V62.4Low72.1Confident116 Ų116127 Ų12770%0.70365%0.647SS**  trans-69.287.8171.6-177.40000106.3P264 D268P264-V266 VanDerWaalsContact C-N 3.33Å; P264-V266 PolarHBondContact O-N 3.25Å; V266-D268 VanDerWaalsContact C-N 3.32Å; V266-D268 PolarHBondContact O-N 2.98Å
267K63.4Low73.8Confident182 Ų182122.1 Ų122.179%0.79162%0.624SS**  trans-69.595.8171.9-171.3171.5-175.4170.90107.2E265 F269E265-K267 PolarHBondContact O-N 3.33Å; K267-F269 PolarHBondContact O-N 3.34Å
268D61.4Low75.3Confident136 Ų136114.4 Ų114.473%0.72759%0.59SS**  trans-54109.3170.9-73.3-25.3000108.2V266 K270V266-D268 VanDerWaalsContact C-N 3.32Å; V266-D268 PolarHBondContact O-N 2.98Å; D268-K270 VanDerWaalsContact C-N 3.28Å; D268-K270 PolarHBondContact O-N 3.02Å
269F61.9Low76.4Confident106 Ų106112.6 Ų112.647%0.46558%0.575SS.*  trans-72.786.9-177.7-166.9-85.8000108.7K267 E271 F299 R313K267-F269 PolarHBondContact O-N 3.34Å; F269-E271 HydrophobicContact CD1-CB 4.32Å; F269-E271 HydrophobicContact CE1-CB 3.95Å; F269-E271 HydrophobicContact CE1-CG 4.06Å; F269-E271 PolarHBondContact O-N 3.37Å; F269-F299 WeakPolarHBondContact O-CZ 3.2Å; F269-R313 VanDerWaalsContact CE1-NH1 3.25Å; F269-R313 VanDerWaalsContact CZ-CZ 3.48Å
270K68.8Low77.5Confident190 Ų190104.2 Ų104.283%0.82654%0.543SS*.  trans-82.1111.8169.7-170.3175.9-177.5-178.20108.3D268D268-K270 VanDerWaalsContact C-N 3.28Å; D268-K270 PolarHBondContact O-N 3.02Å
271E69.8Low78.6Confident20 Ų20100.9 Ų100.99%0.09352%0.524CS..  trans-82.6128.1-178.9-164.7166.1173.200111.8F269 G273 S274 F299 K301 L311 R313F269-E271 HydrophobicContact CD1-CB 4.32Å; F269-E271 HydrophobicContact CE1-CB 3.95Å; F269-E271 HydrophobicContact CE1-CG 4.06Å; F269-E271 PolarHBondContact O-N 3.37Å; E271-G273 PolarHBondContact O-N 3.22Å; E271-S274 PolarHBondContact O-N 3.43Å; E271-F299 HydrophobicContact CB-CD1 4.03Å; E271-F299 HydrophobicContact CB-CE1 4.1Å; E271-F299 HydrophobicContact CB-CG 4.28Å; E271-F299 HydrophobicContact CB-CZ 4.42Å; E271-K301 VanDerWaalsContact CD-CE 3.48Å; E271-K301 VanDerWaalsContact CD-NZ 3.3Å; E271-K301 VanDerWaalsContact OE1-CE 3.29Å; E271-K301 WeakPolarHBondContact OE1-CE 3.45Å; E271-K301 IonicContact OE1-NZ 3.1Å; E271-K301 PolarHBondContact OE1-NZ 2.93Å; E271-L311 WeakPolarHBondContact OE1-CD2 3.31Å; E271-L311 WeakPolarHBondContact OE2-CD2 3.25Å; E271-R313 IonicContact OE1-CZ 3.17Å; E271-R313 IonicContact OE1-NE 3.45Å; E271-R313 IonicContact OE1-NH2 2.67Å; E271-R313 PolarHBondContact OE1-NH2 3.46Å; E271-R313 IonicContact OE2-CZ 2.64Å; E271-R313 IonicContact OE2-NE 2.74Å; E271-R313 PolarHBondContact OE2-NE 2.91Å; E271-R313 IonicContact OE2-NH2 2.79Å; E271-R313 PolarHBondContact OE2-NH2 3.4Å
272E75.8Confident79.6Confident179 Ų17996.9 Ų96.984%0.83650%0.498SS*.THydrogen-bonded Turntrans-63.2131.9179.8-61.6-175.4-179.100111.3K301E272-K301 PolarHBondContact O-NZ 3.05Å; E272-K301 VanDerWaalsContact O-NZ 3.14Å
273G80.7Confident80.7Confident58 Ų5893.5 Ų93.560%0.59847%0.472SS*.THydrogen-bonded Turntrans89.24.117900000116E271E271-G273 PolarHBondContact O-N 3.22Å
274S86.9Confident81.8Confident31 Ų3185.9 Ų85.922%0.21744%0.439CS..  trans-80.9129.5174.5-169.10000112.2E271 F276 I300E271-S274 PolarHBondContact O-N 3.43Å; S274-F276 PolarHBondContact OG-O 3.3Å; S274-I300 CarbonylContact C-O 3.49Å; S274-I300 VanDerWaalsContact CA-O 3.23Å; S274-I300 WeakPolarHBondContact CA-O 3.48Å; S274-I300 PolarHBondContact OG-N 3.19Å; S274-I300 PolarHBondContact OG-O 3.3Å
275V89.6Confident82.9Confident80 Ų8083.9 Ų83.949%0.48542%0.418SS..SBendtrans-84.1-34.9174.6175.50000111.5I300 P302 H392V275-I300 PolarHBondContact N-O 3.45Å; V275-P302 VanDerWaalsContact CG2-CD 3.49Å; V275-P302 HydrophobicContact CG2-CG 3.62Å; V275-H392 WeakPolarHBondContact CG1-NE2 3.41Å
276F92.3Very high84Confident43 Ų4376 Ų7619%0.18938%0.383CS..EExtended strand (participates in β ladder)trans-137.9133.7-177.5-175.6-100.9000110.6S274 T278 I300 T384 L385 Q388S274-F276 PolarHBondContact OG-O 3.3Å; F276-T278 HydrophobicContact CD1-CG2 4.49Å; F276-T278 HydrophobicContact CE1-CG2 3.75Å; F276-I300 HydrophobicContact CB-CB 4.05Å; F276-I300 HydrophobicContact CB-CD1 4.13Å; F276-I300 HydrophobicContact CB-CG1 4.34Å; F276-I300 HydrophobicContact CD1-CD1 3.93Å; F276-I300 HydrophobicContact CD1-CG1 4.43Å; F276-I300 HydrophobicContact CG-CD1 4.42Å; F276-I300 PolarHBondContact O-N 2.93Å; F276-T384 HydrophobicContact CE2-CG2 4.02Å; F276-T384 HydrophobicContact CZ-CG2 4.15Å; F276-L385 HydrophobicContact CD1-CD1 3.96Å; F276-L385 HydrophobicContact CE1-CB 4.2Å; F276-L385 HydrophobicContact CE1-CD1 3.79Å; F276-Q388 HydrophobicContact CB-CB 4.46Å; F276-Q388 HydrophobicContact CB-CG 4.33Å; F276-Q388 HydrophobicContact CD2-CG 3.96Å; F276-Q388 HydrophobicContact CE2-CG 4.38Å; F276-Q388 HydrophobicContact CG-CB 4.38Å; F276-Q388 HydrophobicContact CG-CG 4.02Å
277T94.2Very high85.2Confident70 Ų7077.6 Ų77.643%0.42939%0.387SS..EExtended strand (participates in β ladder)trans-126.6131.6177.3-56.80000109.8N297 L298 F299T277-N297 HydrophobicContact CG2-CB 4.32Å; T277-L298 CarbonylContact C-O 3.56Å; T277-L298 VanDerWaalsContact CA-O 3.23Å; T277-L298 WeakPolarHBondContact CA-O 3.26Å; T277-F299 HydrophobicContact CG2-CD1 3.78Å; T277-F299 HydrophobicContact CG2-CE1 3.46Å; T277-F299 VanDerWaalsContact CG2-CE1 3.46Å; T277-F299 HydrophobicContact CG2-CZ 4.17Å; T277-F299 VanDerWaalsContact OG1-CD1 3.3Å; T277-F299 WeakPolarHBondContact OG1-CD1 3.24Å
278T94.8Very high86.3Confident30 Ų3075.5 Ų75.518%0.18439%0.385CS..EExtended strand (participates in β ladder)trans-146.1145.9174.5-165.70000111.6F276 L298 V376 L385F276-T278 HydrophobicContact CD1-CG2 4.49Å; F276-T278 HydrophobicContact CE1-CG2 3.75Å; T278-L298 HydrophobicContact CG2-CB 4.18Å; T278-L298 HydrophobicContact CG2-CD2 4.25Å; T278-L298 PolarHBondContact N-O 3.06Å; T278-L298 WeakPolarHBondContact O-CB 3.34Å; T278-L298 PolarHBondContact O-N 3.01Å; T278-V376 HydrophobicContact CG2-CG1 4.32Å; T278-L385 HydrophobicContact CG2-CD1 4.26Å; T278-L385 HydrophobicContact CG2-CD2 4.17Å
279R95.7Very high87.9Confident145 Ų14575 Ų7555%0.54738%0.378SS..EExtended strand (participates in β ladder)trans-80129.4177.3-165.3171-171.1-167.61.9109.9D315R279-D315 IonicContact CZ-OD2 2.86Å; R279-D315 IonicContact NE-OD2 3.74Å; R279-D315 PolarHBondContact NE-OD2 3.01Å; R279-D315 IonicContact NH2-OD2 2.79Å; R279-D315 PolarHBondContact NH2-OD2 3.45Å
280C96.7Very high89.4Confident5 Ų574.9 Ų74.93%0.03438%0.375CS..EExtended strand (participates in β ladder)trans-142.4162.2-174.975.60000112.2G296 I374 R375 V376C280-G296 PolarHBondContact N-O 3.4Å; C280-G296 PolarHBondContact O-N 2.71Å; C280-I374 HydrophobicContact CB-CG2 3.76Å; C280-R375 CarbonylContact C-O 3.55Å; C280-R375 WeakPolarHBondContact CA-O 3.32Å; C280-V376 HydrophobicContact CB-CG1 4.26Å
281K97Very high90.6Very high61 Ų6169.5 Ų69.527%0.26535%0.351SS..EExtended strand (participates in β ladder)trans-116.3127.8170.3-172.4168.1170.4146.40108.9F283 E292 R375K281-F283 HydrophobicContact CB-CE2 4.03Å; K281-F283 HydrophobicContact CD-CE2 4.02Å; K281-F283 HydrophobicContact CD-CZ 3.65Å; K281-F283 HydrophobicContact CG-CD2 4.45Å; K281-F283 HydrophobicContact CG-CE2 3.65Å; K281-F283 HydrophobicContact CG-CZ 3.76Å; K281-E292 WeakPolarHBondContact CE-OE1 3.13Å; K281-E292 WeakPolarHBondContact CE-OE2 3.34Å; K281-E292 IonicContact NZ-OE1 3.52Å; K281-E292 PolarHBondContact NZ-OE1 2.72Å; K281-E292 IonicContact NZ-OE2 3.64Å; K281-E292 PolarHBondContact NZ-OE2 3.45Å; K281-R375 PolarHBondContact N-O 3.28Å; K281-R375 PolarHBondContact O-N 2.97Å
282L96.8Very high91.8Very high0 Ų073.4 Ų73.40%037%0.369CS..EExtended strand (participates in β ladder)trans-101.4131.2-174.3-173.266.3000110.7R293 G294 I312 L322 L323 M372 I374L282-R293 HydrophobicContact CB-CB 4.2Å; L282-R293 HydrophobicContact CD2-CB 4.06Å; L282-R293 HydrophobicContact CD2-CG 3.95Å; L282-R293 HydrophobicContact CG-CB 4.07Å; L282-R293 PolarHBondContact O-N 2.87Å; L282-G294 PolarHBondContact N-O 2.74Å; L282-I312 HydrophobicContact CD1-CD1 4.01Å; L282-I312 HydrophobicContact CD2-CD1 4.19Å; L282-L322 HydrophobicContact CD2-CB 4.15Å; L282-L323 HydrophobicContact CD1-CD2 4.33Å; L282-L323 HydrophobicContact CD2-CB 3.8Å; L282-L323 HydrophobicContact CD2-CD2 4.32Å; L282-M372 HydrophobicContact CD1-CE 3.82Å; L282-M372 HydrophobicContact CD2-CE 3.62Å; L282-M372 HydrophobicContact CG-CE 3.73Å; L282-I374 HydrophobicContact CD1-CG1 3.84Å
283F96.7Very high92.6Very high33 Ų3368 Ų6815%0.14534%0.342CS..EExtended strand (participates in β ladder)trans-124.1153.2175.7-58.3-95.7000110.3K281 W290 K291 E292 M372 L373 R375K281-F283 HydrophobicContact CB-CE2 4.03Å; K281-F283 HydrophobicContact CD-CE2 4.02Å; K281-F283 HydrophobicContact CD-CZ 3.65Å; K281-F283 HydrophobicContact CG-CD2 4.45Å; K281-F283 HydrophobicContact CG-CE2 3.65Å; K281-F283 HydrophobicContact CG-CZ 3.76Å; F283-W290 HydrophobicContact CB-CE3 3.96Å; F283-K291 CarbonylContact C-O 3.57Å; F283-K291 VanDerWaalsContact CA-O 3.22Å; F283-K291 WeakPolarHBondContact CA-O 3.22Å; F283-E292 HydrophobicContact CD1-CB 4.25Å; F283-E292 HydrophobicContact CE1-CB 4.23Å; F283-M372 CarbonylContact O-C 3.59Å; F283-M372 WeakPolarHBondContact O-CA 3.44Å; F283-L373 HydrophobicContact CB-CB 4.26Å; F283-L373 HydrophobicContact CB-CD2 4.44Å; F283-L373 HydrophobicContact CD2-CD2 3.66Å; F283-L373 HydrophobicContact CE2-CD2 4.3Å; F283-L373 HydrophobicContact CG-CD2 4.37Å; F283-L373 PolarHBondContact N-O 3.43Å; F283-L373 PolarHBondContact O-N 2.87Å; F283-R375 HydrophobicContact CD2-CB 4.45Å; F283-R375 HydrophobicContact CE2-CB 3.93Å
284Y95.4Very high93.3Very high22 Ų2266 Ų669%0.08632%0.32CS..EExtended strand (participates in β ladder)trans-133.3145.7176.263.4-78.5000109.7V286 K291 E292 R293 L350 M372Y284-V286 HydrophobicContact CD2-CG2 3.34Å; Y284-V286 HydrophobicContact CE2-CG2 3.27Å; Y284-K291 HydrophobicContact CD1-CB 4.17Å; Y284-K291 WeakPolarHBondContact CD1-O 3.48Å; Y284-K291 HydrophobicContact CD2-CB 4.36Å; Y284-K291 HydrophobicContact CE1-CB 3.66Å; Y284-K291 HydrophobicContact CE2-CB 3.9Å; Y284-K291 HydrophobicContact CE2-CD 4.34Å; Y284-K291 HydrophobicContact CG-CB 4.49Å; Y284-K291 PolarHBondContact N-O 3.45Å; Y284-K291 PolarHBondContact O-N 3.49Å; Y284-E292 WeakPolarHBondContact CE1-O 3.3Å; Y284-R293 HydrophobicContact CD1-CB 3.83Å; Y284-R293 HydrophobicContact CE1-CB 4.13Å; Y284-L350 HydrophobicContact CD1-CD2 4.18Å; Y284-L350 HydrophobicContact CD2-CD1 3.53Å; Y284-L350 HydrophobicContact CD2-CD2 4.09Å; Y284-L350 HydrophobicContact CD2-CG 4.32Å; Y284-L350 HydrophobicContact CE1-CD2 4.41Å; Y284-L350 HydrophobicContact CE2-CD1 4.16Å; Y284-L350 HydrophobicContact CE2-CD2 4.3Å; Y284-L350 HydrophobicContact CG-CD1 3.93Å; Y284-L350 HydrophobicContact CG-CD2 4.02Å; Y284-M372 WeakPolarHBondContact CB-SD 3.48Å
285K93.7Very high93.7Very high73 Ų7368 Ų6832%0.31733%0.328SS..EExtended strand (participates in β ladder)trans-92.7122.5-178-166.7173.1175.2-179.20110.9N288 E289 W290 P371K285-N288 VanDerWaalsContact CE-CA 3.46Å; K285-N288 WeakPolarHBondContact CE-OD1 3.13Å; K285-E289 CarbonylContact C-O 3.5Å; K285-E289 WeakPolarHBondContact CA-O 3.03Å; K285-W290 HydrophobicContact CB-CD2 4.38Å; K285-W290 HydrophobicContact CB-CE3 4.01Å; K285-W290 HydrophobicContact CB-CH2 4.23Å; K285-W290 HydrophobicContact CB-CZ3 3.92Å; K285-W290 HydrophobicContact CD-CZ2 4.34Å; K285-P371 HydrophobicContact CB-CB 4.07Å; K285-P371 HydrophobicContact CB-CG 4.33Å; K285-P371 PolarHBondContact N-O 3.31Å
286V90.5Very high94Very high17 Ų1764.2 Ų64.210%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-128.2129.7174-176.30000108.2Y284 N288 E289 K291Y284-V286 HydrophobicContact CD2-CG2 3.34Å; Y284-V286 HydrophobicContact CE2-CG2 3.27Å; V286-N288 PolarHBondContact O-N 3Å; V286-N288 VanDerWaalsContact O-N 3.08Å; V286-E289 PolarHBondContact N-O 2.91Å; V286-E289 PolarHBondContact O-N 3.48Å; V286-E289 VanDerWaalsContact O-O 3.11Å; V286-K291 HydrophobicContact CB-CD 4.08Å; V286-K291 HydrophobicContact CG2-CD 4.11Å
287D86.7Confident94.1Very high149 Ų14964 Ų6480%0.79731%0.306SS*.THydrogen-bonded Turntrans50.836.8176.4-51.9-35.1000114.2E289D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 3.31Å
288N87.9Confident94.2Very high137 Ų13760.6 Ų60.673%0.73329%0.285SS*.THydrogen-bonded Turntrans71.62.4-174.2-63.4-42.8000117.8K285 V286K285-N288 VanDerWaalsContact CE-CA 3.46Å; K285-N288 WeakPolarHBondContact CE-OD1 3.13Å; V286-N288 PolarHBondContact O-N 3Å; V286-N288 VanDerWaalsContact O-N 3.08Å
289E93.5Very high94.2Very high127 Ų12759.3 Ų59.359%0.59328%0.277SS*.EExtended strand (participates in β ladder)trans-104.1146.1175.8-166.9179-169.100111.5K285 V286 D287K285-E289 CarbonylContact C-O 3.5Å; K285-E289 WeakPolarHBondContact CA-O 3.03Å; V286-E289 PolarHBondContact N-O 2.91Å; V286-E289 PolarHBondContact O-N 3.48Å; V286-E289 VanDerWaalsContact O-O 3.11Å; D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 3.31Å
290W93.8Very high94.2Very high102 Ų10252.4 Ų52.439%0.38625%0.251SS..EExtended strand (participates in β ladder)trans-87.9117.2174-70.5104.3000110.5F283 K285 T341 P371 L373F283-W290 HydrophobicContact CB-CE3 3.96Å; K285-W290 HydrophobicContact CB-CD2 4.38Å; K285-W290 HydrophobicContact CB-CE3 4.01Å; K285-W290 HydrophobicContact CB-CH2 4.23Å; K285-W290 HydrophobicContact CB-CZ3 3.92Å; K285-W290 HydrophobicContact CD-CZ2 4.34Å; W290-T341 HydrophobicContact CH2-CG2 4.19Å; W290-P371 HydrophobicContact CH2-CB 4.31Å; W290-L373 HydrophobicContact CE3-CB 3.94Å; W290-L373 HydrophobicContact CH2-CB 3.62Å; W290-L373 HydrophobicContact CH2-CD1 4.25Å; W290-L373 HydrophobicContact CZ2-CB 4.29Å; W290-L373 HydrophobicContact CZ2-CD1 4.09Å; W290-L373 HydrophobicContact CZ3-CB 3.42Å; W290-L373 VanDerWaalsContact CZ3-CB 3.42Å
291K94.3Very high94Very high77 Ų7753.9 Ų53.934%0.33526%0.257SS..EExtended strand (participates in β ladder)trans-103.1142.5174.7-67.3-175.9179.8172.90110.6F283 Y284 V286F283-K291 CarbonylContact C-O 3.57Å; F283-K291 VanDerWaalsContact CA-O 3.22Å; F283-K291 WeakPolarHBondContact CA-O 3.22Å; Y284-K291 HydrophobicContact CD1-CB 4.17Å; Y284-K291 WeakPolarHBondContact CD1-O 3.48Å; Y284-K291 HydrophobicContact CD2-CB 4.36Å; Y284-K291 HydrophobicContact CE1-CB 3.66Å; Y284-K291 HydrophobicContact CE2-CB 3.9Å; Y284-K291 HydrophobicContact CE2-CD 4.34Å; Y284-K291 HydrophobicContact CG-CB 4.49Å; Y284-K291 PolarHBondContact N-O 3.45Å; Y284-K291 PolarHBondContact O-N 3.49Å; V286-K291 HydrophobicContact CB-CD 4.08Å; V286-K291 HydrophobicContact CG2-CD 4.11Å
292E94.7Very high93.6Very high102 Ų10253.9 Ų53.948%0.47726%0.263SS..EExtended strand (participates in β ladder)trans-75.8128.4177175.7171.9-175.200110.7K281 F283 Y284K281-E292 WeakPolarHBondContact CE-OE1 3.13Å; K281-E292 WeakPolarHBondContact CE-OE2 3.34Å; K281-E292 IonicContact NZ-OE1 3.52Å; K281-E292 PolarHBondContact NZ-OE1 2.72Å; K281-E292 IonicContact NZ-OE2 3.64Å; K281-E292 PolarHBondContact NZ-OE2 3.45Å; F283-E292 HydrophobicContact CD1-CB 4.25Å; F283-E292 HydrophobicContact CE1-CB 4.23Å; Y284-E292 WeakPolarHBondContact CE1-O 3.3Å
293R92.9Very high93.1Very high67 Ų6756.4 Ų56.425%0.25328%0.278SS..EExtended strand (participates in β ladder)trans-90.2-39.1172.4-173.460.4178.3102.3-5112.1L282 Y284 L322L282-R293 HydrophobicContact CB-CB 4.2Å; L282-R293 HydrophobicContact CD2-CB 4.06Å; L282-R293 HydrophobicContact CD2-CG 3.95Å; L282-R293 HydrophobicContact CG-CB 4.07Å; L282-R293 PolarHBondContact O-N 2.87Å; Y284-R293 HydrophobicContact CD1-CB 3.83Å; Y284-R293 HydrophobicContact CE1-CB 4.13Å; R293-L322 HydrophobicContact CG-CD2 4.48Å
294G94.9Very high92.3Very high14 Ų1461.6 Ų61.614%0.14431%0.313CS..EExtended strand (participates in β ladder)trans158.2170.4178.900000113.4L282L282-G294 PolarHBondContact N-O 2.74Å
295L95.6Very high91.5Very high74 Ų7465.8 Ų65.839%0.38734%0.337SS..EExtended strand (participates in β ladder)trans-106137.3174-178.7135.4000109.6D315L295-D315 HydrophobicContact CD2-CB 4.14Å; L295-D315 PolarHBondContact O-N 3.29Å
296G95.8Very high90.8Very high0 Ų068 Ų680%035%0.352CS..EExtended strand (participates in β ladder)trans-169.5177.8-172.100000114.4C280 R313C280-G296 PolarHBondContact N-O 3.4Å; C280-G296 PolarHBondContact O-N 2.71Å; G296-R313 CarbonylContact C-O 3.59Å; G296-R313 WeakPolarHBondContact CA-O 3.43Å
297N95.3Very high90.6Very high38 Ų3871.1 Ų71.120%0.20336%0.364CS..EExtended strand (participates in β ladder)trans-96.4126.2174.2-64.7-32.2000109T277 F299 I312 R313T277-N297 HydrophobicContact CG2-CB 4.32Å; N297-F299 HydrophobicContact CB-CE2 3.8Å; N297-F299 HydrophobicContact CB-CZ 3.73Å; N297-F299 WeakPolarHBondContact O-CD2 3.44Å; N297-F299 VanDerWaalsContact O-CE2 3.29Å; N297-F299 WeakPolarHBondContact O-CE2 3.27Å; N297-I312 WeakPolarHBondContact O-CA 3.22Å; N297-R313 PolarHBondContact N-O 2.94Å; N297-R313 PolarHBondContact O-N 3Å; N297-R313 VanDerWaalsContact O-N 3.07Å
298L95.9Very high90.8Very high0 Ų064 Ų640%033%0.327CS..EExtended strand (participates in β ladder)trans-89.4129.3174.8178.6157.9000108.7T277 T278 I300 L310 L311 I312 I374 L385T277-L298 CarbonylContact C-O 3.56Å; T277-L298 VanDerWaalsContact CA-O 3.23Å; T277-L298 WeakPolarHBondContact CA-O 3.26Å; T278-L298 HydrophobicContact CG2-CB 4.18Å; T278-L298 HydrophobicContact CG2-CD2 4.25Å; T278-L298 PolarHBondContact N-O 3.06Å; T278-L298 WeakPolarHBondContact O-CB 3.34Å; T278-L298 PolarHBondContact O-N 3.01Å; L298-I300 HydrophobicContact CD2-CD1 4.34Å; L298-I300 HydrophobicContact CD2-CG1 3.75Å; L298-L310 HydrophobicContact CD1-CD1 3.86Å; L298-L310 HydrophobicContact CD2-CD1 3.61Å; L298-L310 HydrophobicContact CG-CD1 3.64Å; L298-L311 CarbonylContact C-O 3.5Å; L298-L311 WeakPolarHBondContact CA-O 3.28Å; L298-I312 HydrophobicContact CB-CG1 4.11Å; L298-I312 HydrophobicContact CD1-CD1 4.17Å; L298-I312 HydrophobicContact CD1-CG1 4.32Å; L298-I312 HydrophobicContact CG-CG1 4.12Å; L298-I374 HydrophobicContact CD1-CD1 3.94Å; L298-I374 HydrophobicContact CD1-CG2 3.96Å; L298-L385 HydrophobicContact CD1-CD1 4.31Å; L298-L385 HydrophobicContact CD1-CD2 4.05Å; L298-L385 HydrophobicContact CD2-CD1 3.62Å
299F95.3Very high91.1Very high3 Ų360 Ų601%0.01330%0.303CS..EExtended strand (participates in β ladder)trans-118.4126.4179.2-58.2-81.7000109.4F269 E271 T277 N297 L311 R313F269-F299 WeakPolarHBondContact O-CZ 3.2Å; E271-F299 HydrophobicContact CB-CD1 4.03Å; E271-F299 HydrophobicContact CB-CE1 4.1Å; E271-F299 HydrophobicContact CB-CG 4.28Å; E271-F299 HydrophobicContact CB-CZ 4.42Å; T277-F299 HydrophobicContact CG2-CD1 3.78Å; T277-F299 HydrophobicContact CG2-CE1 3.46Å; T277-F299 VanDerWaalsContact CG2-CE1 3.46Å; T277-F299 HydrophobicContact CG2-CZ 4.17Å; T277-F299 VanDerWaalsContact OG1-CD1 3.3Å; T277-F299 WeakPolarHBondContact OG1-CD1 3.24Å; N297-F299 HydrophobicContact CB-CE2 3.8Å; N297-F299 HydrophobicContact CB-CZ 3.73Å; N297-F299 WeakPolarHBondContact O-CD2 3.44Å; N297-F299 VanDerWaalsContact O-CE2 3.29Å; N297-F299 WeakPolarHBondContact O-CE2 3.27Å; F299-L311 HydrophobicContact CB-CB 4.43Å; F299-L311 PolarHBondContact N-O 3.45Å; F299-L311 PolarHBondContact O-N 3.43Å; F299-R313 HydrophobicContact CE2-CB 4.25Å; F299-R313 HydrophobicContact CE2-CG 4.34Å
300I94.6Very high91.1Very high0 Ų054 Ų540%028%0.275CS..EExtended strand (participates in β ladder)trans-96.9117.6173-71.1-171.3000107.4S274 V275 F276 L298 L308 L310 L385 Q388 M389S274-I300 CarbonylContact C-O 3.49Å; S274-I300 VanDerWaalsContact CA-O 3.23Å; S274-I300 WeakPolarHBondContact CA-O 3.48Å; S274-I300 PolarHBondContact OG-N 3.19Å; S274-I300 PolarHBondContact OG-O 3.3Å; V275-I300 PolarHBondContact N-O 3.45Å; F276-I300 HydrophobicContact CB-CB 4.05Å; F276-I300 HydrophobicContact CB-CD1 4.13Å; F276-I300 HydrophobicContact CB-CG1 4.34Å; F276-I300 HydrophobicContact CD1-CD1 3.93Å; F276-I300 HydrophobicContact CD1-CG1 4.43Å; F276-I300 HydrophobicContact CG-CD1 4.42Å; F276-I300 PolarHBondContact O-N 2.93Å; L298-I300 HydrophobicContact CD2-CD1 4.34Å; L298-I300 HydrophobicContact CD2-CG1 3.75Å; I300-L308 HydrophobicContact CB-CD1 4.3Å; I300-L308 HydrophobicContact CG1-CD2 4.44Å; I300-L308 HydrophobicContact CG2-CD1 3.24Å; I300-L308 HydrophobicContact CG2-CD2 4.17Å; I300-L308 HydrophobicContact CG2-CG 4.21Å; I300-L310 HydrophobicContact CG1-CD1 4.21Å; I300-L385 HydrophobicContact CD1-CD1 3.66Å; I300-L385 HydrophobicContact CG1-CD1 4.44Å; I300-Q388 HydrophobicContact CD1-CB 3.89Å; I300-M389 HydrophobicContact CD1-CG 3.72Å
301K91.9Very high91.2Very high36 Ų3649.3 Ų49.316%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-115.5117.8173.4-60.3-168.4-175.6-1670109.8E271 E272 L308 Q309E271-K301 VanDerWaalsContact CD-CE 3.48Å; E271-K301 VanDerWaalsContact CD-NZ 3.3Å; E271-K301 VanDerWaalsContact OE1-CE 3.29Å; E271-K301 WeakPolarHBondContact OE1-CE 3.45Å; E271-K301 IonicContact OE1-NZ 3.1Å; E271-K301 PolarHBondContact OE1-NZ 2.93Å; E272-K301 PolarHBondContact O-NZ 3.05Å; E272-K301 VanDerWaalsContact O-NZ 3.14Å; K301-L308 WeakPolarHBondContact O-CD1 3.49Å; K301-Q309 HydrophobicContact CB-CB 4.19Å; K301-Q309 PolarHBondContact N-O 3.49Å; K301-Q309 PolarHBondContact O-N 3.28Å
302P89.9Confident91.3Very high60 Ų6045.7 Ų45.739%0.3924%0.242SC..EExtended strand (participates in β ladder)trans-71.4136.5174.930.6-35.1000110.2V275V275-P302 VanDerWaalsContact CG2-CD 3.49Å; V275-P302 HydrophobicContact CG2-CG 3.62Å
303T86.3Confident91.3Very high53 Ų5343.5 Ų43.533%0.32523%0.229SC..EExtended strand (participates in β ladder)trans-116.1146.2173.4-56.40000108.8N305 K307T303-N305 PolarHBondContact O-N 2.87Å; T303-K307 VanDerWaalsContact CB-O 3.26Å; T303-K307 WeakPolarHBondContact CB-O 3.42Å; T303-K307 PolarHBondContact N-O 3.45Å
304T80.4Confident91.3Very high142 Ų14241.1 Ų41.187%0.87122%0.224SC*.THydrogen-bonded Turntrans-61.7-5.3-174.9-38.30000115.4
305N76.9Confident91.2Very high111 Ų11143.7 Ų43.759%0.59424%0.235SC*.THydrogen-bonded Turntrans-108.836.2-168.3-67.6-67.8000113.9T303 K307T303-N305 PolarHBondContact O-N 2.87Å; N305-K307 HydrophobicContact CB-CD 4.25Å; N305-K307 WeakPolarHBondContact O-CG 3.46Å; N305-K307 PolarHBondContact O-N 3.47Å
306D80.5Confident90.9Very high118 Ų11844 Ų4463%0.63124%0.239SC*.THydrogen-bonded Turntrans50.931.6-172.3-62.6-35.5000113.1
307K85.3Confident90.4Very high84 Ų8452.2 Ų52.237%0.36528%0.284SS..EExtended strand (participates in β ladder)trans-125.6139.7-177.4-74.5168.9-169175.50108T303 N305 T328T303-K307 VanDerWaalsContact CB-O 3.26Å; T303-K307 WeakPolarHBondContact CB-O 3.42Å; T303-K307 PolarHBondContact N-O 3.45Å; N305-K307 HydrophobicContact CB-CD 4.25Å; N305-K307 WeakPolarHBondContact O-CG 3.46Å; N305-K307 PolarHBondContact O-N 3.47Å; K307-T328 HydrophobicContact CD-CG2 4.43Å; K307-T328 HydrophobicContact CG-CG2 4.06Å
308L91.4Very high90Very high0 Ų056.4 Ų56.40%031%0.305CS..EExtended strand (participates in β ladder)trans-104.7128171.1177.978.7000108.8I300 K301 L326 V327 M389 H392I300-L308 HydrophobicContact CB-CD1 4.3Å; I300-L308 HydrophobicContact CG1-CD2 4.44Å; I300-L308 HydrophobicContact CG2-CD1 3.24Å; I300-L308 HydrophobicContact CG2-CD2 4.17Å; I300-L308 HydrophobicContact CG2-CG 4.21Å; K301-L308 WeakPolarHBondContact O-CD1 3.49Å; L308-L326 CarbonylContact O-C 3.55Å; L308-L326 WeakPolarHBondContact O-CA 3.33Å; L308-V327 HydrophobicContact CB-CB 4.28Å; L308-V327 PolarHBondContact N-O 3.34Å; L308-V327 PolarHBondContact O-N 3.1Å; L308-M389 HydrophobicContact CD2-CB 4.24Å; L308-M389 HydrophobicContact CD2-CE 4.39Å; L308-M389 HydrophobicContact CD2-CG 3.96Å; L308-H392 HydrophobicContact CD1-CB 3.6Å
309Q93.2Very high89.6Confident52 Ų5256.9 Ų56.924%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-84.6118.8164.9-175.7179.75.500109.4K301 N324 L326K301-Q309 HydrophobicContact CB-CB 4.19Å; K301-Q309 PolarHBondContact N-O 3.49Å; K301-Q309 PolarHBondContact O-N 3.28Å; Q309-N324 PolarHBondContact NE2-OD1 3.38Å; Q309-L326 HydrophobicContact CB-CD2 3.83Å; Q309-L326 HydrophobicContact CG-CD2 4.28Å
310L94.5Very high89.5Confident0 Ų061.1 Ų61.10%033%0.333CS..EExtended strand (participates in β ladder)trans-101.7117.9174-173.369.4000109L298 I300 I325 V327 L342 I374 M389L298-L310 HydrophobicContact CD1-CD1 3.86Å; L298-L310 HydrophobicContact CD2-CD1 3.61Å; L298-L310 HydrophobicContact CG-CD1 3.64Å; I300-L310 HydrophobicContact CG1-CD1 4.21Å; L310-I325 HydrophobicContact CB-CG1 3.97Å; L310-I325 HydrophobicContact CD2-CD1 4.27Å; L310-I325 HydrophobicContact CD2-CG1 4.41Å; L310-I325 PolarHBondContact N-O 3.43Å; L310-I325 PolarHBondContact O-N 3.11Å; L310-V327 HydrophobicContact CB-CG2 3.83Å; L310-V327 HydrophobicContact CD2-CG2 4.38Å; L310-L342 HydrophobicContact CD2-CD2 4.48Å; L310-I374 HydrophobicContact CD2-CD1 4.03Å; L310-M389 HydrophobicContact CD2-CE 4.13Å
311L95.5Very high89.5Confident5 Ų564.4 Ų64.43%0.02635%0.35CS..EExtended strand (participates in β ladder)trans-124.6131.6-177.6178.959.5000110.3E271 L298 F299 R313 I321 L323 N324E271-L311 WeakPolarHBondContact OE1-CD2 3.31Å; E271-L311 WeakPolarHBondContact OE2-CD2 3.25Å; L298-L311 CarbonylContact C-O 3.5Å; L298-L311 WeakPolarHBondContact CA-O 3.28Å; F299-L311 HydrophobicContact CB-CB 4.43Å; F299-L311 PolarHBondContact N-O 3.45Å; F299-L311 PolarHBondContact O-N 3.43Å; L311-R313 HydrophobicContact CG-CG 4.38Å; L311-I321 HydrophobicContact CD1-CG1 4.48Å; L311-I321 HydrophobicContact CD1-CG2 3.86Å; L311-L323 CarbonylContact C-O 3.56Å; L311-L323 WeakPolarHBondContact CA-O 3.48Å; L311-N324 HydrophobicContact CD1-CB 3.8Å
312I96.1Very high89.6Confident1 Ų163.3 Ų63.31%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-123.9117.7177-54.1178.5000107.9L282 N297 L298 L322 L323 I374L282-I312 HydrophobicContact CD1-CD1 4.01Å; L282-I312 HydrophobicContact CD2-CD1 4.19Å; N297-I312 WeakPolarHBondContact O-CA 3.22Å; L298-I312 HydrophobicContact CB-CG1 4.11Å; L298-I312 HydrophobicContact CD1-CD1 4.17Å; L298-I312 HydrophobicContact CD1-CG1 4.32Å; L298-I312 HydrophobicContact CG-CG1 4.12Å; I312-L322 HydrophobicContact CB-CB 4.35Å; I312-L322 HydrophobicContact CG2-CB 4.12Å; I312-L322 HydrophobicContact CG2-CD1 4.1Å; I312-L322 PolarHBondContact O-N 2.81Å; I312-L323 HydrophobicContact CB-CB 4.24Å; I312-L323 HydrophobicContact CD1-CB 4.18Å; I312-L323 HydrophobicContact CD1-CD2 4.09Å; I312-L323 HydrophobicContact CG1-CB 4.31Å; I312-L323 PolarHBondContact N-O 3.13Å; I312-L323 PolarHBondContact O-N 3.14Å; I312-I374 HydrophobicContact CD1-CD1 4.4Å
313R94.4Very high89.8Confident55 Ų5560.5 Ų60.521%0.20833%0.327CS..EExtended strand (participates in β ladder)trans-108.5141.4173.7-61.9-171.4-172.6-1390.9110.4F269 E271 G296 N297 F299 L311F269-R313 VanDerWaalsContact CE1-NH1 3.25Å; F269-R313 VanDerWaalsContact CZ-CZ 3.48Å; E271-R313 IonicContact OE1-CZ 3.17Å; E271-R313 IonicContact OE1-NE 3.45Å; E271-R313 IonicContact OE1-NH2 2.67Å; E271-R313 PolarHBondContact OE1-NH2 3.46Å; E271-R313 IonicContact OE2-CZ 2.64Å; E271-R313 IonicContact OE2-NE 2.74Å; E271-R313 PolarHBondContact OE2-NE 2.91Å; E271-R313 IonicContact OE2-NH2 2.79Å; E271-R313 PolarHBondContact OE2-NH2 3.4Å; G296-R313 CarbonylContact C-O 3.59Å; G296-R313 WeakPolarHBondContact CA-O 3.43Å; N297-R313 PolarHBondContact N-O 2.94Å; N297-R313 PolarHBondContact O-N 3Å; N297-R313 VanDerWaalsContact O-N 3.07Å; F299-R313 HydrophobicContact CE2-CB 4.25Å; F299-R313 HydrophobicContact CE2-CG 4.34Å; L311-R313 HydrophobicContact CG-CG 4.38Å
314A94.9Very high90.3Very high17 Ų1760.6 Ų60.614%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-60.7143.7174.900000111T316 N320 L322A314-T316 HydrophobicContact CB-CG2 4.5Å; A314-T316 PolarHBondContact O-N 2.91Å; A314-N320 HydrophobicContact CB-CB 4.31Å; A314-N320 WeakPolarHBondContact CB-O 3.4Å; A314-N320 PolarHBondContact N-O 2.92Å; A314-L322 HydrophobicContact CB-CD1 4.39Å; A314-L322 HydrophobicContact CB-CD2 4.44Å; A314-L322 HydrophobicContact CB-CG 4.3Å
315D90.9Very high90.9Very high69 Ų6954.6 Ų54.637%0.36929%0.288SS..SBendtrans-81.454.4178-166.427.8000110.9R279 L295R279-D315 IonicContact CZ-OD2 2.86Å; R279-D315 IonicContact NE-OD2 3.74Å; R279-D315 PolarHBondContact NE-OD2 3.01Å; R279-D315 IonicContact NH2-OD2 2.79Å; R279-D315 PolarHBondContact NH2-OD2 3.45Å; L295-D315 HydrophobicContact CD2-CB 4.14Å; L295-D315 PolarHBondContact O-N 3.29Å
316T89.8Confident91.7Very high79 Ų7954 Ų5449%0.48528%0.284SS..SBendtrans-129.2158.9178.865.10000109.3A314 L318 G319A314-T316 HydrophobicContact CB-CG2 4.5Å; A314-T316 PolarHBondContact O-N 2.91Å; T316-L318 PolarHBondContact O-N 3.24Å; T316-L318 VanDerWaalsContact O-N 3.11Å; T316-G319 PolarHBondContact O-N 3.2Å; T316-G319 PolarHBondContact OG1-N 3.02Å
317N85.8Confident92.2Very high174 Ų17448.3 Ų48.393%0.9325%0.254SS*.THydrogen-bonded Turntrans-54.1-28.5174.859.2-18.8000113.6
318L86.4Confident92.4Very high125 Ų12546.8 Ų46.865%0.65425%0.252SS*.THydrogen-bonded Turntrans-78.5-28.1177.2-168.462.1000113T316 N320T316-L318 PolarHBondContact O-N 3.24Å; T316-L318 VanDerWaalsContact O-N 3.11Å; L318-N320 WeakPolarHBondContact CD2-OD1 3.38Å; L318-N320 WeakPolarHBondContact CG-OD1 3.36Å; L318-N320 PolarHBondContact O-N 3.38Å
319G87.9Confident92.1Very high11 Ų1153 Ų5311%0.11328%0.279CS..  trans64.932.8176.300000114.8T316 I321T316-G319 PolarHBondContact O-N 3.2Å; T316-G319 PolarHBondContact OG1-N 3.02Å; G319-I321 PolarHBondContact O-N 3.04Å
320N92.8Very high91.8Very high91 Ų9159 Ų5949%0.48731%0.307SS..  trans-51.1133.3-178.9-79.5-10.2000112.1A314 L318 L322A314-N320 HydrophobicContact CB-CB 4.31Å; A314-N320 WeakPolarHBondContact CB-O 3.4Å; A314-N320 PolarHBondContact N-O 2.92Å; L318-N320 WeakPolarHBondContact CD2-OD1 3.38Å; L318-N320 WeakPolarHBondContact CG-OD1 3.36Å; L318-N320 PolarHBondContact O-N 3.38Å; N320-L322 PolarHBondContact O-N 3.39Å
321I94.3Very high91.5Very high70 Ų7060.3 Ų60.336%0.35931%0.314SS..EExtended strand (participates in β ladder)trans-73.5119.1179-60.1173.5000109.2L311 G319 N324L311-I321 HydrophobicContact CD1-CG1 4.48Å; L311-I321 HydrophobicContact CD1-CG2 3.86Å; G319-I321 PolarHBondContact O-N 3.04Å; I321-N324 HydrophobicContact CG2-CB 3.93Å
322L94.2Very high91.2Very high12 Ų1264 Ų646%0.06334%0.338CS..EExtended strand (participates in β ladder)trans-88.2-36.8176.4-62.6-179.9000111.9L282 R293 I312 A314 N320L282-L322 HydrophobicContact CD2-CB 4.15Å; R293-L322 HydrophobicContact CG-CD2 4.48Å; I312-L322 HydrophobicContact CB-CB 4.35Å; I312-L322 HydrophobicContact CG2-CB 4.12Å; I312-L322 HydrophobicContact CG2-CD1 4.1Å; I312-L322 PolarHBondContact O-N 2.81Å; A314-L322 HydrophobicContact CB-CD1 4.39Å; A314-L322 HydrophobicContact CB-CD2 4.44Å; A314-L322 HydrophobicContact CB-CG 4.3Å; N320-L322 PolarHBondContact O-N 3.39Å
323L95.1Very high91.1Very high1 Ų165.3 Ų65.31%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-156.2132.6178.9-174.565.3000110.4L282 L311 I312 I325 S347 M372L282-L323 HydrophobicContact CD1-CD2 4.33Å; L282-L323 HydrophobicContact CD2-CB 3.8Å; L282-L323 HydrophobicContact CD2-CD2 4.32Å; L311-L323 CarbonylContact C-O 3.56Å; L311-L323 WeakPolarHBondContact CA-O 3.48Å; I312-L323 HydrophobicContact CB-CB 4.24Å; I312-L323 HydrophobicContact CD1-CB 4.18Å; I312-L323 HydrophobicContact CD1-CD2 4.09Å; I312-L323 HydrophobicContact CG1-CB 4.31Å; I312-L323 PolarHBondContact N-O 3.13Å; I312-L323 PolarHBondContact O-N 3.14Å; L323-I325 HydrophobicContact CD1-CG2 3.63Å; L323-I325 HydrophobicContact CD2-CD1 4.11Å; L323-I325 HydrophobicContact CD2-CG1 4.38Å; L323-I325 HydrophobicContact CG-CD1 4.49Å; L323-I325 HydrophobicContact CG-CG1 4.33Å; L323-I325 HydrophobicContact CG-CG2 4.05Å; L323-S347 CarbonylContact C-O 3.59Å; L323-S347 WeakPolarHBondContact CA-O 3.36Å; L323-M372 HydrophobicContact CD1-CE 4.33Å; L323-M372 HydrophobicContact CD2-CE 4.47Å
324N95.2Very high91Very high56 Ų5670 Ų7030%0.29937%0.367SS..EExtended strand (participates in β ladder)trans-136.8101.4173.4179.417.5000109.4Q309 L311 I321 S347Q309-N324 PolarHBondContact NE2-OD1 3.38Å; L311-N324 HydrophobicContact CD1-CB 3.8Å; I321-N324 HydrophobicContact CG2-CB 3.93Å; N324-S347 PolarHBondContact N-O 2.95Å; N324-S347 WeakPolarHBondContact O-CB 3.38Å
325I94.1Very high90.9Very high15 Ų1572.3 Ų72.38%0.07737%0.374CS..EExtended strand (participates in β ladder)trans-133.4152.3-175.762.9172.7000111.8L310 L323 V327 M331 L342 C344 V345L310-I325 HydrophobicContact CB-CG1 3.97Å; L310-I325 HydrophobicContact CD2-CD1 4.27Å; L310-I325 HydrophobicContact CD2-CG1 4.41Å; L310-I325 PolarHBondContact N-O 3.43Å; L310-I325 PolarHBondContact O-N 3.11Å; L323-I325 HydrophobicContact CD1-CG2 3.63Å; L323-I325 HydrophobicContact CD2-CD1 4.11Å; L323-I325 HydrophobicContact CD2-CG1 4.38Å; L323-I325 HydrophobicContact CG-CD1 4.49Å; L323-I325 HydrophobicContact CG-CG1 4.33Å; L323-I325 HydrophobicContact CG-CG2 4.05Å; I325-V327 HydrophobicContact CD1-CG2 4.07Å; I325-V327 HydrophobicContact CG1-CG2 4.15Å; I325-M331 HydrophobicContact CD1-CE 4.09Å; I325-L342 HydrophobicContact CD1-CD1 3.96Å; I325-C344 HydrophobicContact CD1-CB 3.79Å; I325-C344 HydrophobicContact CG2-CB 4.4Å; I325-V345 WeakPolarHBondContact CG2-O 3.42Å
326L92.9Very high91Very high98 Ų9875.3 Ų75.351%0.51339%0.386SS..EExtended strand (participates in β ladder)trans-93122.2165.4-68.2171.1000108.9L308 Q309L308-L326 CarbonylContact O-C 3.55Å; L308-L326 WeakPolarHBondContact O-CA 3.33Å; Q309-L326 HydrophobicContact CB-CD2 3.83Å; Q309-L326 HydrophobicContact CG-CD2 4.28Å
327V91.8Very high91.2Very high0 Ų078.4 Ų78.40%039%0.393CS..EExtended strand (participates in β ladder)trans-96.4113.6177.3-173.20000108.2L308 L310 I325 M331 I333 M389L308-V327 HydrophobicContact CB-CB 4.28Å; L308-V327 PolarHBondContact N-O 3.34Å; L308-V327 PolarHBondContact O-N 3.1Å; L310-V327 HydrophobicContact CB-CG2 3.83Å; L310-V327 HydrophobicContact CD2-CG2 4.38Å; I325-V327 HydrophobicContact CD1-CG2 4.07Å; I325-V327 HydrophobicContact CG1-CG2 4.15Å; V327-M331 HydrophobicContact CG1-SD 4.42Å; V327-I333 HydrophobicContact CG1-CD1 4.18Å; V327-M389 HydrophobicContact CG1-CE 4.45Å; V327-M389 HydrophobicContact CG2-CE 4.35Å
328T88.6Confident91.7Very high52 Ų5271.7 Ų71.732%0.31936%0.357SS..EExtended strand (participates in β ladder)trans-97.9158.9177.259.80000110.7K307 E330 M331 R393K307-T328 HydrophobicContact CD-CG2 4.43Å; K307-T328 HydrophobicContact CG-CG2 4.06Å; T328-E330 PolarHBondContact O-N 3.36Å; T328-M331 PolarHBondContact O-N 2.76Å; T328-R393 VanDerWaalsContact C-NE 3.34Å; T328-R393 PolarHBondContact O-NE 2.91Å; T328-R393 PolarHBondContact O-NH2 3.47Å
329K86.5Confident92.2Very high129 Ų12967.1 Ų67.156%0.56133%0.333SS*.THydrogen-bonded Turntrans-54-17177.9-176169.4178.9167.90117.1R393 G394 V395K329-R393 VanDerWaalsContact C-CZ 3.42Å; K329-R393 VanDerWaalsContact CA-CZ 3.46Å; K329-R393 VanDerWaalsContact CA-NH2 3.32Å; K329-R393 VanDerWaalsContact O-CZ 3.29Å; K329-R393 PolarHBondContact O-NH1 2.87Å; K329-R393 PolarHBondContact O-NH2 3.21Å; K329-G394 PolarHBondContact NZ-O 3.29Å; K329-G394 VanDerWaalsContact NZ-O 3.07Å; K329-V395 HydrophobicContact CG-CG2 4.08Å
330E86Confident92.5Very high180 Ų18066.6 Ų66.684%0.84133%0.328SS*.THydrogen-bonded Turntrans-88.1-28.7-179.9-63178.4-171.300113.9T328 P332 R393T328-E330 PolarHBondContact O-N 3.36Å; E330-P332 VanDerWaalsContact O-CD 3.24Å; E330-P332 WeakPolarHBondContact O-CD 3.49Å; E330-R393 VanDerWaalsContact C-NH2 3.29Å
331M87.8Confident92.7Very high26 Ų2663.9 Ų63.913%0.12832%0.315CS..SBendtrans-66.2106-179.6-174.1167.2156.100115.9I325 V327 T328 I333 L342 V343 C344 R393I325-M331 HydrophobicContact CD1-CE 4.09Å; V327-M331 HydrophobicContact CG1-SD 4.42Å; T328-M331 PolarHBondContact O-N 2.76Å; M331-I333 PolarHBondContact O-N 3.37Å; M331-L342 HydrophobicContact CE-CB 3.68Å; M331-L342 HydrophobicContact CE-CD1 3.18Å; M331-L342 HydrophobicContact CE-CG 3.94Å; M331-V343 VanDerWaalsContact CE-O 3.32Å; M331-V343 WeakPolarHBondContact CE-O 3.36Å; M331-C344 HydrophobicContact CE-CB 3.64Å; M331-C344 HydrophobicContact SD-CB 4.36Å; M331-R393 VanDerWaalsContact CA-NH2 3.35Å; M331-R393 PolarHBondContact O-NH2 2.91Å
332P89.7Confident92.7Very high84 Ų8460.6 Ų60.655%0.54530%0.298SS..  trans-68.6130.3-175.529.1-34.7000111.9E330E330-P332 VanDerWaalsContact O-CD 3.24Å; E330-P332 WeakPolarHBondContact O-CD 3.49Å
333I92.9Very high92.7Very high28 Ų2863.3 Ų63.314%0.14432%0.315CS..EExtended strand (participates in β ladder)trans-111.6123.7172.2-56.8161.5000107.3V327 M331 L340 L342 L386 M389V327-I333 HydrophobicContact CG1-CD1 4.18Å; M331-I333 PolarHBondContact O-N 3.37Å; I333-L340 HydrophobicContact CG2-CB 4.36Å; I333-L342 HydrophobicContact CG1-CB 4.34Å; I333-L386 HydrophobicContact CB-CD1 4.09Å; I333-L386 HydrophobicContact CG2-CD1 3.68Å; I333-M389 HydrophobicContact CD1-CB 4.43Å; I333-M389 HydrophobicContact CD1-CE 3.41Å; I333-M389 VanDerWaalsContact CD1-CE 3.41Å; I333-M389 HydrophobicContact CD1-SD 4.2Å; I333-M389 HydrophobicContact CG1-CE 4.42Å
334K93.1Very high92.6Very high153 Ų15363.7 Ų63.767%0.66532%0.318SS*.EExtended strand (participates in β ladder)trans-110.4127.9179.1-64.7-176.2-179.6-178.20110L340 T341K334-L340 CarbonylContact O-C 3.55Å; K334-L340 WeakPolarHBondContact O-CA 3.43Å; K334-T341 PolarHBondContact N-O 2.95Å; K334-T341 PolarHBondContact O-N 2.88Å
335Q93.2Very high92.5Very high65 Ų6564 Ų6430%0.30432%0.321SS..EExtended strand (participates in β ladder)trans-92.7135.2171.9-178.5175.5-1000111.2K337 L340 T383 L386Q335-K337 PolarHBondContact NE2-O 3.27Å; Q335-L340 HydrophobicContact CB-CD2 3.6Å; Q335-L340 HydrophobicContact CG-CD2 3.79Å; Q335-T383 PolarHBondContact NE2-OG1 2.92Å; Q335-L386 HydrophobicContact CB-CD2 4.06Å
336Q93.1Very high92.4Very high133 Ų13364 Ų6462%0.62132%0.322SS*.EExtended strand (participates in β ladder)trans-139.1101.2171.9-175.7179.7-12.900109.2N338 N339Q336-N338 PolarHBondContact O-N 2.76Å; Q336-N339 PolarHBondContact N-O 3.39Å; Q336-N339 WeakPolarHBondContact O-CB 3.35Å; Q336-N339 PolarHBondContact O-N 2.96Å; Q336-N339 PolarHBondContact O-ND2 3.39Å
337K94.3Very high92.4Very high144 Ų14462 Ų6263%0.62632%0.316SS*.THydrogen-bonded Turntrans55.9-120-172.9-55.2179.6178-177.80110.4Q335 N339Q335-K337 PolarHBondContact NE2-O 3.27Å; K337-N339 VanDerWaalsContact C-N 3.32Å; K337-N339 PolarHBondContact O-N 3.03Å
338N95.1Very high92.3Very high32 Ų3264.3 Ų64.317%0.17133%0.331CS..THydrogen-bonded Turntrans-88.513.2177.270.4-47.1000114.2Q336 R375 V376Q336-N338 PolarHBondContact O-N 2.76Å; N338-R375 PolarHBondContact ND2-NE 3.24Å; N338-V376 HydrophobicContact CB-CG2 4.48Å; N338-V376 PolarHBondContact ND2-O 2.87Å; N338-V376 VanDerWaalsContact O-CG2 3.29Å; N338-V376 WeakPolarHBondContact O-CG2 3.24Å; N338-V376 PolarHBondContact O-N 3.04Å
339N96.6Very high92.3Very high29 Ų2966.5 Ų66.516%0.15535%0.346CS..EExtended strand (participates in β ladder)trans-118.1137.6-177.9-48-73.6000110.8Q336 K337 L373 I374 R375Q336-N339 PolarHBondContact N-O 3.39Å; Q336-N339 WeakPolarHBondContact O-CB 3.35Å; Q336-N339 PolarHBondContact O-N 2.96Å; Q336-N339 PolarHBondContact O-ND2 3.39Å; K337-N339 VanDerWaalsContact C-N 3.32Å; K337-N339 PolarHBondContact O-N 3.03Å; N339-L373 HydrophobicContact CB-CD1 4.08Å; N339-L373 HydrophobicContact CB-CD2 4.07Å; N339-L373 HydrophobicContact CB-CG 4.05Å; N339-I374 CarbonylContact C-O 3.4Å; N339-I374 WeakPolarHBondContact CA-O 3.5Å; N339-R375 WeakPolarHBondContact OD1-CB 3.4Å; N339-R375 VanDerWaalsContact OD1-CG 3.3Å; N339-R375 WeakPolarHBondContact OD1-CG 3.47Å
340L96.1Very high92.3Very high1 Ų160.4 Ų60.41%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-111.5128169-61.2-179.2000109I333 K334 Q335 L373 I374 L385 L386 M389I333-L340 HydrophobicContact CG2-CB 4.36Å; K334-L340 CarbonylContact O-C 3.55Å; K334-L340 WeakPolarHBondContact O-CA 3.43Å; Q335-L340 HydrophobicContact CB-CD2 3.6Å; Q335-L340 HydrophobicContact CG-CD2 3.79Å; L340-L373 CarbonylContact O-C 3.44Å; L340-L373 WeakPolarHBondContact O-CA 3.41Å; L340-I374 HydrophobicContact CB-CB 4.39Å; L340-I374 PolarHBondContact N-O 2.76Å; L340-I374 PolarHBondContact O-N 3.47Å; L340-L385 HydrophobicContact CD1-CB 4.15Å; L340-L385 HydrophobicContact CD1-CD2 3.47Å; L340-L385 VanDerWaalsContact CD1-CD2 3.47Å; L340-L385 HydrophobicContact CD1-CG 3.62Å; L340-L386 HydrophobicContact CD2-CB 4.23Å; L340-M389 HydrophobicContact CD1-SD 4.41Å
341T95.8Very high91.8Very high33 Ų3355.7 Ų55.720%0.20231%0.305CS..EExtended strand (participates in β ladder)trans-112.6132.8178.4-53.30000109.9W290 K334 M372W290-T341 HydrophobicContact CH2-CG2 4.19Å; K334-T341 PolarHBondContact N-O 2.95Å; K334-T341 PolarHBondContact O-N 2.88Å; T341-M372 WeakPolarHBondContact CA-O 3.46Å
342L94.5Very high90.8Very high2 Ų256.1 Ų56.11%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-144.1155-179.76298.2000110L310 I325 M331 I333 C344 M372 I374L310-L342 HydrophobicContact CD2-CD2 4.48Å; I325-L342 HydrophobicContact CD1-CD1 3.96Å; M331-L342 HydrophobicContact CE-CB 3.68Å; M331-L342 HydrophobicContact CE-CD1 3.18Å; M331-L342 HydrophobicContact CE-CG 3.94Å; I333-L342 HydrophobicContact CG1-CB 4.34Å; L342-C344 HydrophobicContact CD1-CB 3.91Å; L342-C344 VanDerWaalsContact CD1-SG 3.51Å; L342-M372 HydrophobicContact CD1-CB 4.12Å; L342-M372 HydrophobicContact CG-CB 4.36Å; L342-M372 PolarHBondContact N-O 3.25Å; L342-M372 PolarHBondContact O-N 2.94Å; L342-M372 VanDerWaalsContact O-O 3.13Å; L342-I374 HydrophobicContact CD2-CD1 3.6Å; L342-I374 HydrophobicContact CD2-CG1 4.36Å
343V94.4Very high89.3Confident69 Ų6954.8 Ų54.842%0.41830%0.297SS..EExtended strand (participates in β ladder)trans-111.8116.4179.3178.20000108.4M331 P369 P371M331-V343 VanDerWaalsContact CE-O 3.32Å; M331-V343 WeakPolarHBondContact CE-O 3.36Å; V343-P369 HydrophobicContact CG1-CB 3.87Å; V343-P371 HydrophobicContact CG2-CB 4.48Å
344C93.1Very high87.5Confident9 Ų958 Ų586%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-144.9165-178.464.80000112.7I325 M331 L342 V370 M372I325-C344 HydrophobicContact CD1-CB 3.79Å; I325-C344 HydrophobicContact CG2-CB 4.4Å; M331-C344 HydrophobicContact CE-CB 3.64Å; M331-C344 HydrophobicContact SD-CB 4.36Å; L342-C344 HydrophobicContact CD1-CB 3.91Å; L342-C344 VanDerWaalsContact CD1-SG 3.51Å; C344-V370 PolarHBondContact N-O 3.07Å; C344-V370 VanDerWaalsContact N-O 3.16Å; C344-V370 PolarHBondContact O-N 3.45Å; C344-M372 VanDerWaalsContact SG-CG 3.55Å
345V93.3Very high85.5Confident61 Ų6159 Ų5937%0.3732%0.322SS..  trans-77.6121.2166.4169.40000108.6I325 S347 P367I325-V345 WeakPolarHBondContact CG2-O 3.42Å; V345-S347 PolarHBondContact O-N 2.73Å; V345-P367 HydrophobicContact CB-CB 4.38Å; V345-P367 HydrophobicContact CG1-CB 3.49Å; V345-P367 VanDerWaalsContact CG1-CB 3.49Å; V345-P367 HydrophobicContact CG1-CG 4.2Å; V345-P367 HydrophobicContact CG2-CB 3.96Å; V345-P367 HydrophobicContact CG2-CG 4.19Å; V345-P367 WeakPolarHBondContact CG2-O 3.44Å
346P92.1Very high83.4Confident15 Ų1558.6 Ų58.610%0.09733%0.327CS..  trans-72.612217929.1-33.3000110.8P348 L350 V370P346-P348 CarbonylContact C-O 3.59Å; P346-P348 CarbonylContact O-C 3.39Å; P346-L350 HydrophobicContact CB-CD1 4.1Å; P346-L350 HydrophobicContact CB-CD2 4.29Å; P346-L350 HydrophobicContact CB-CG 3.77Å; P346-L350 HydrophobicContact CG-CD1 3.82Å; P346-L350 HydrophobicContact CG-CG 3.75Å; P346-V370 HydrophobicContact CG-CG2 4.31Å
347S92.2Very high81.2Confident57 Ų5756.8 Ų56.840%0.39933%0.328SS..SBendtrans-124.1114.4169.9179.10000108.4L323 N324 V345L323-S347 CarbonylContact C-O 3.59Å; L323-S347 WeakPolarHBondContact CA-O 3.36Å; N324-S347 PolarHBondContact N-O 2.95Å; N324-S347 WeakPolarHBondContact O-CB 3.38Å; V345-S347 PolarHBondContact O-N 2.73Å
348P90.5Very high79Confident48 Ų4855.2 Ų55.231%0.31233%0.33SS..SBendcis-70.8158.8227.6-33.1000114.1P346P346-P348 CarbonylContact C-O 3.59Å; P346-P348 CarbonylContact O-C 3.39Å
349P88.5Confident76.5Confident98 Ų9859.9 Ų59.964%0.63636%0.356SS*.PPolyproline II helixtrans-57.4148.4-179.1-25.234.2000113.9
350L85.3Confident73.9Confident2 Ų264.3 Ų64.31%0.0138%0.379CS..PPolyproline II helixtrans-78.7144.3179.1-62.4169.6000111.2Y284 P346 S352 H353 V370Y284-L350 HydrophobicContact CD1-CD2 4.18Å; Y284-L350 HydrophobicContact CD2-CD1 3.53Å; Y284-L350 HydrophobicContact CD2-CD2 4.09Å; Y284-L350 HydrophobicContact CD2-CG 4.32Å; Y284-L350 HydrophobicContact CE1-CD2 4.41Å; Y284-L350 HydrophobicContact CE2-CD1 4.16Å; Y284-L350 HydrophobicContact CE2-CD2 4.3Å; Y284-L350 HydrophobicContact CG-CD1 3.93Å; Y284-L350 HydrophobicContact CG-CD2 4.02Å; P346-L350 HydrophobicContact CB-CD1 4.1Å; P346-L350 HydrophobicContact CB-CD2 4.29Å; P346-L350 HydrophobicContact CB-CG 3.77Å; P346-L350 HydrophobicContact CG-CD1 3.82Å; P346-L350 HydrophobicContact CG-CG 3.75Å; L350-S352 PolarHBondContact O-N 3.36Å; L350-S352 VanDerWaalsContact O-N 3.15Å; L350-H353 PolarHBondContact O-N 2.96Å; L350-H353 VanDerWaalsContact O-N 3.15Å; L350-V370 HydrophobicContact CD1-CB 4.36Å; L350-V370 HydrophobicContact CD1-CG1 4.04Å; L350-V370 HydrophobicContact CD1-CG2 4.17Å
351P76.3Confident71.4Confident80 Ų8074 Ų7452%0.51942%0.424SS..Hα-helixtrans-63.9-22.7-177.725.9-34.8000113.7
352S66.1Low69.2Low35 Ų3580.9 Ų80.925%0.24545%0.454CS..Hα-helixtrans-71.9-30.7177.656.50000113.2L350L350-S352 PolarHBondContact O-N 3.36Å; L350-S352 VanDerWaalsContact O-N 3.15Å
353H58.1Low67.3Low56 Ų5685.8 Ų85.826%0.25948%0.481SS..Hα-helixtrans-77.4-23.1-178.2-83.1-92.5000113.3L350 K355 S356 V370L350-H353 PolarHBondContact O-N 2.96Å; L350-H353 VanDerWaalsContact O-N 3.15Å; H353-K355 VanDerWaalsContact C-N 3.29Å; H353-K355 PolarHBondContact O-N 3.32Å; H353-S356 PolarHBondContact O-OG 2.96Å; H353-V370 WeakPolarHBondContact NE2-CG2 3.44Å
354V56.3Low65.2Low95 Ų9589.3 Ų89.358%0.57650%0.497SS*.Hα-helixtrans-70.6-28.1178.3-173.70000111.4
355K49.9Very low63.7Low174 Ų17492.7 Ų92.776%0.75753%0.534SS*.Hα-helixtrans-87.4-23.1179-64.9-172.5179.9-176.10113.6H353H353-K355 VanDerWaalsContact C-N 3.29Å; H353-K355 PolarHBondContact O-N 3.32Å
356S49.5Very low62.3Low58 Ų5896.5 Ų96.541%0.40655%0.548SS..Hα-helixtrans-81.2-17.9177.557.40000113.7H353 V358H353-S356 PolarHBondContact O-OG 2.96Å; S356-V358 PolarHBondContact O-N 3.41Å
357S46.3Very low61.6Low94 Ų94100.1 Ų100.166%0.65757%0.571SS**THydrogen-bonded Turntrans-77.9-2.6178.796.30000114
358V49.1Very low61.2Low111 Ų111103.4 Ų103.467%0.67358%0.578SS**THydrogen-bonded Turntrans-92.4-17.4178.9-178.20000112.3S356S356-V358 PolarHBondContact O-N 3.41Å
359N42.7Very low61.3Low131 Ų131104.8 Ų104.870%0.70159%0.587SS**SBendtrans-126.66.5-170.2-68.6-32.2000115.8
360N42.1Very low61.5Low122 Ų122100.3 Ų100.365%0.65256%0.558SS**  trans-136.7101.5172.6-69.2-60.9000109.5E362N360-E362 PolarHBondContact O-N 3.45Å
361E44.5Very low61.9Low204 Ų204102.4 Ų102.495%0.95357%0.572SS**THydrogen-bonded Turntrans-7324.4-177.5-66.7-175.2144.400114.4
362E48.9Very low62.8Low178 Ų17898.7 Ų98.783%0.83255%0.547SS*.THydrogen-bonded Turntrans-122.3-0.5-174.8-67.2-172.5176.400115N360N360-E362 PolarHBondContact O-N 3.45Å
363D54Low64.3Low105 Ų10598.1 Ų98.156%0.56154%0.541SS*.  trans-93.7106.2176.6-1568.9000109.7G365D363-G365 PolarHBondContact O-N 3.29Å
364N51.5Low66.1Low142 Ų14295.5 Ų95.576%0.75953%0.529SS*.  trans-64.749.4-174.8-77.6-62.6000113.9Q366N364-Q366 WeakPolarHBondContact O-CG 3.34Å; N364-Q366 PolarHBondContact O-N 2.96Å
365G60.2Low68.1Low81 Ų8197.1 Ų97.184%0.83553%0.525SS*.SBendtrans54.511.2179.800000114.9D363D363-G365 PolarHBondContact O-N 3.29Å
366Q64.6Low70.3Confident141 Ų14189.1 Ų89.166%0.65949%0.491SS*.  trans-84132-175.6-75.3-171.2-13.900108.3N364 K368N364-Q366 WeakPolarHBondContact O-CG 3.34Å; N364-Q366 PolarHBondContact O-N 2.96Å; Q366-K368 PolarHBondContact O-N 3.49Å
367P77.1Confident72.5Confident91 Ų9196 Ų9659%0.59151%0.514SS*.  trans-66.4111.9-17925.5-32.6000110.3V345V345-P367 HydrophobicContact CB-CB 4.38Å; V345-P367 HydrophobicContact CG1-CB 3.49Å; V345-P367 VanDerWaalsContact CG1-CB 3.49Å; V345-P367 HydrophobicContact CG1-CG 4.2Å; V345-P367 HydrophobicContact CG2-CB 3.96Å; V345-P367 HydrophobicContact CG2-CG 4.19Å; V345-P367 WeakPolarHBondContact CG2-O 3.44Å
368K84.9Confident74.9Confident126 Ų12695.2 Ų95.255%0.54850%0.504SS..  trans-67.5127.3-179.2-176.6163.4174-179.70111.2Q366Q366-K368 PolarHBondContact O-N 3.49Å
369P91Very high77.1Confident76 Ų7695.4 Ų95.449%0.49450%0.498SS..  trans-70.4136.1174.927.6-33.3000111V343V343-P369 HydrophobicContact CG1-CB 3.87Å
370V92.8Very high79.6Confident5 Ų596.7 Ų96.73%0.0350%0.5CS..EExtended strand (participates in β ladder)trans-120135.9-177.9-178.90000109.6C344 P346 L350 H353 M372C344-V370 PolarHBondContact N-O 3.07Å; C344-V370 VanDerWaalsContact N-O 3.16Å; C344-V370 PolarHBondContact O-N 3.45Å; P346-V370 HydrophobicContact CG-CG2 4.31Å; L350-V370 HydrophobicContact CD1-CB 4.36Å; L350-V370 HydrophobicContact CD1-CG1 4.04Å; L350-V370 HydrophobicContact CD1-CG2 4.17Å; H353-V370 WeakPolarHBondContact NE2-CG2 3.44Å; V370-M372 HydrophobicContact CG1-SD 4.45Å; V370-M372 PolarHBondContact O-N 3.37Å
371P94.6Very high82.1Confident46 Ų4691.6 Ų91.630%0.29948%0.476SS..EExtended strand (participates in β ladder)trans-65.8122.5169.8-19.432.3000111K285 W290 V343K285-P371 HydrophobicContact CB-CB 4.07Å; K285-P371 HydrophobicContact CB-CG 4.33Å; K285-P371 PolarHBondContact N-O 3.31Å; W290-P371 HydrophobicContact CH2-CB 4.31Å; V343-P371 HydrophobicContact CG2-CB 4.48Å
372M95.4Very high84.6Confident1 Ų181.9 Ų81.91%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-113.4142.8177.9-59.1-67.5-7700109.9L282 F283 Y284 L323 T341 L342 C344 V370L282-M372 HydrophobicContact CD1-CE 3.82Å; L282-M372 HydrophobicContact CD2-CE 3.62Å; L282-M372 HydrophobicContact CG-CE 3.73Å; F283-M372 CarbonylContact O-C 3.59Å; F283-M372 WeakPolarHBondContact O-CA 3.44Å; Y284-M372 WeakPolarHBondContact CB-SD 3.48Å; L323-M372 HydrophobicContact CD1-CE 4.33Å; L323-M372 HydrophobicContact CD2-CE 4.47Å; T341-M372 WeakPolarHBondContact CA-O 3.46Å; L342-M372 HydrophobicContact CD1-CB 4.12Å; L342-M372 HydrophobicContact CG-CB 4.36Å; L342-M372 PolarHBondContact N-O 3.25Å; L342-M372 PolarHBondContact O-N 2.94Å; L342-M372 VanDerWaalsContact O-O 3.13Å; C344-M372 VanDerWaalsContact SG-CG 3.55Å; V370-M372 HydrophobicContact CG1-SD 4.45Å; V370-M372 PolarHBondContact O-N 3.37Å
373L96.5Very high86.8Confident23 Ų2376 Ų7612%0.1241%0.407CS..EExtended strand (participates in β ladder)trans-123.7125.5176.7-179.7154.2000109.9F283 W290 N339 L340 R375F283-L373 HydrophobicContact CB-CB 4.26Å; F283-L373 HydrophobicContact CB-CD2 4.44Å; F283-L373 HydrophobicContact CD2-CD2 3.66Å; F283-L373 HydrophobicContact CE2-CD2 4.3Å; F283-L373 HydrophobicContact CG-CD2 4.37Å; F283-L373 PolarHBondContact N-O 3.43Å; F283-L373 PolarHBondContact O-N 2.87Å; W290-L373 HydrophobicContact CE3-CB 3.94Å; W290-L373 HydrophobicContact CH2-CB 3.62Å; W290-L373 HydrophobicContact CH2-CD1 4.25Å; W290-L373 HydrophobicContact CZ2-CB 4.29Å; W290-L373 HydrophobicContact CZ2-CD1 4.09Å; W290-L373 HydrophobicContact CZ3-CB 3.42Å; W290-L373 VanDerWaalsContact CZ3-CB 3.42Å; N339-L373 HydrophobicContact CB-CD1 4.08Å; N339-L373 HydrophobicContact CB-CD2 4.07Å; N339-L373 HydrophobicContact CB-CG 4.05Å; L340-L373 CarbonylContact O-C 3.44Å; L340-L373 WeakPolarHBondContact O-CA 3.41Å; L373-R375 HydrophobicContact CD2-CB 4.07Å
374I97.4Very high88.7Confident1 Ų174 Ų741%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-103.9115.2176.4-59.5171.1000107.2C280 L282 L298 L310 I312 N339 L340 L342 L385C280-I374 HydrophobicContact CB-CG2 3.76Å; L282-I374 HydrophobicContact CD1-CG1 3.84Å; L298-I374 HydrophobicContact CD1-CD1 3.94Å; L298-I374 HydrophobicContact CD1-CG2 3.96Å; L310-I374 HydrophobicContact CD2-CD1 4.03Å; I312-I374 HydrophobicContact CD1-CD1 4.4Å; N339-I374 CarbonylContact C-O 3.4Å; N339-I374 WeakPolarHBondContact CA-O 3.5Å; L340-I374 HydrophobicContact CB-CB 4.39Å; L340-I374 PolarHBondContact N-O 2.76Å; L340-I374 PolarHBondContact O-N 3.47Å; L342-I374 HydrophobicContact CD2-CD1 3.6Å; L342-I374 HydrophobicContact CD2-CG1 4.36Å; I374-L385 HydrophobicContact CG2-CD2 4.34Å
375R97Very high90.7Very high130 Ų13067.2 Ų67.249%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-102.7125.4176.4-178.6171.7175.7177.73.1110C280 K281 F283 N338 N339 L373C280-R375 CarbonylContact C-O 3.55Å; C280-R375 WeakPolarHBondContact CA-O 3.32Å; K281-R375 PolarHBondContact N-O 3.28Å; K281-R375 PolarHBondContact O-N 2.97Å; F283-R375 HydrophobicContact CD2-CB 4.45Å; F283-R375 HydrophobicContact CE2-CB 3.93Å; N338-R375 PolarHBondContact ND2-NE 3.24Å; N339-R375 WeakPolarHBondContact OD1-CB 3.4Å; N339-R375 VanDerWaalsContact OD1-CG 3.3Å; N339-R375 WeakPolarHBondContact OD1-CG 3.47Å; L373-R375 HydrophobicContact CD2-CB 4.07Å
376V97Very high92.3Very high6 Ų664.5 Ų64.54%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-105.9163.7172.3-66.30000110.8T278 C280 N338 T378 A382 L385T278-V376 HydrophobicContact CG2-CG1 4.32Å; C280-V376 HydrophobicContact CB-CG1 4.26Å; N338-V376 HydrophobicContact CB-CG2 4.48Å; N338-V376 PolarHBondContact ND2-O 2.87Å; N338-V376 VanDerWaalsContact O-CG2 3.29Å; N338-V376 WeakPolarHBondContact O-CG2 3.24Å; N338-V376 PolarHBondContact O-N 3.04Å; V376-T378 VanDerWaalsContact CG2-O 3.31Å; V376-T378 WeakPolarHBondContact CG2-O 3.33Å; V376-A382 HydrophobicContact CG2-CB 3.49Å; V376-A382 VanDerWaalsContact CG2-CB 3.49Å; V376-L385 HydrophobicContact CG1-CD2 4.04Å
377K95.6Very high93.6Very high203 Ų20362 Ų6288%0.88332%0.32SS*.SBendtrans-66.4-40.2-174.7-172.4176.9-179.5-178.30112.8
378T96.3Very high94.3Very high76 Ų7660.6 Ų60.647%0.46631%0.305SS..SBendtrans-119.5146.9-173.252.80000110.5V376 G381 A382V376-T378 VanDerWaalsContact CG2-O 3.31Å; V376-T378 WeakPolarHBondContact CG2-O 3.33Å; T378-G381 PolarHBondContact O-N 3.2Å; T378-G381 PolarHBondContact OG1-N 2.97Å; T378-A382 PolarHBondContact O-N 2.88Å
379E95.2Very high94.6Very high115 Ų11554.6 Ų54.654%0.53728%0.279SS..Hα-helixtrans-64.6-42.3174.2179.5164.4-157.600112.2G381 A382 T383E379-G381 VanDerWaalsContact C-N 3.3Å; E379-G381 PolarHBondContact O-N 3.45Å; E379-A382 WeakPolarHBondContact O-CA 3.39Å; E379-A382 VanDerWaalsContact O-CB 3.29Å; E379-A382 WeakPolarHBondContact O-CB 3.4Å; E379-A382 PolarHBondContact O-N 3.41Å; E379-T383 PolarHBondContact O-N 3.28Å; E379-T383 PolarHBondContact O-OG1 3.47Å
380E95.6Very high94.6Very high158 Ų15853 Ų5374%0.73827%0.266SS*.Hα-helixtrans-56.4-45174.8-64.4177.7179.100111.6A382 T383 T384E380-A382 PolarHBondContact O-N 3.44Å; E380-T383 WeakPolarHBondContact O-CB 3.37Å; E380-T383 PolarHBondContact O-N 3.07Å; E380-T383 VanDerWaalsContact O-N 3.12Å; E380-T384 PolarHBondContact O-N 2.74Å; E380-T384 PolarHBondContact O-OG1 3.02Å; E380-T384 VanDerWaalsContact O-OG1 3.12Å
381G94.9Very high94.4Very high15 Ų1556.7 Ų56.716%0.15529%0.293CS..Hα-helixtrans-60.1-27.3174.800000114.1T378 E379 L385T378-G381 PolarHBondContact O-N 3.2Å; T378-G381 PolarHBondContact OG1-N 2.97Å; E379-G381 VanDerWaalsContact C-N 3.3Å; E379-G381 PolarHBondContact O-N 3.45Å; G381-L385 VanDerWaalsContact O-CB 3.22Å; G381-L385 WeakPolarHBondContact O-CB 3.46Å; G381-L385 PolarHBondContact O-N 2.95Å
382A95.5Very high93.9Very high0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-73.3-42.5175.500000110.7V376 T378 E379 E380 L385 L386V376-A382 HydrophobicContact CG2-CB 3.49Å; V376-A382 VanDerWaalsContact CG2-CB 3.49Å; T378-A382 PolarHBondContact O-N 2.88Å; E379-A382 WeakPolarHBondContact O-CA 3.39Å; E379-A382 VanDerWaalsContact O-CB 3.29Å; E379-A382 WeakPolarHBondContact O-CB 3.4Å; E379-A382 PolarHBondContact O-N 3.41Å; E380-A382 PolarHBondContact O-N 3.44Å; A382-L385 PolarHBondContact O-N 2.89Å; A382-L386 PolarHBondContact O-N 2.84Å
383T95Very high93.2Very high55 Ų5557.7 Ų57.734%0.33729%0.293SS..Hα-helixtrans-64.3-45175.3-51.60000111.1Q335 E379 E380 L385 L386 N387Q335-T383 PolarHBondContact NE2-OG1 2.92Å; E379-T383 PolarHBondContact O-N 3.28Å; E379-T383 PolarHBondContact O-OG1 3.47Å; E380-T383 WeakPolarHBondContact O-CB 3.37Å; E380-T383 PolarHBondContact O-N 3.07Å; E380-T383 VanDerWaalsContact O-N 3.12Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.05Å; T383-L386 PolarHBondContact O-N 3.34Å; T383-N387 WeakPolarHBondContact O-CB 3.43Å; T383-N387 VanDerWaalsContact O-CG 3.23Å; T383-N387 PolarHBondContact O-N 3.19Å; T383-N387 PolarHBondContact O-ND2 3.04Å
384T94.5Very high92Very high63 Ų6358 Ų5839%0.38730%0.302SS..Hα-helixtrans-59.7-44.8174.6-54.50000111.1F276 E380 L386 N387 Q388F276-T384 HydrophobicContact CE2-CG2 4.02Å; F276-T384 HydrophobicContact CZ-CG2 4.15Å; E380-T384 PolarHBondContact O-N 2.74Å; E380-T384 PolarHBondContact O-OG1 3.02Å; E380-T384 VanDerWaalsContact O-OG1 3.12Å; T384-L386 PolarHBondContact O-N 2.9Å; T384-N387 PolarHBondContact O-N 3.33Å; T384-Q388 HydrophobicContact CG2-CG 4.45Å; T384-Q388 VanDerWaalsContact O-CG 3.26Å; T384-Q388 WeakPolarHBondContact O-CG 3.31Å; T384-Q388 PolarHBondContact O-N 2.95Å
385L94Very high90.4Very high0 Ų060 Ų600%031%0.314CS..Hα-helixtrans-60.7-45.5177.6174.660.9000111.6F276 T278 L298 I300 L340 I374 V376 G381 A382 T383 Q388 M389F276-L385 HydrophobicContact CD1-CD1 3.96Å; F276-L385 HydrophobicContact CE1-CB 4.2Å; F276-L385 HydrophobicContact CE1-CD1 3.79Å; T278-L385 HydrophobicContact CG2-CD1 4.26Å; T278-L385 HydrophobicContact CG2-CD2 4.17Å; L298-L385 HydrophobicContact CD1-CD1 4.31Å; L298-L385 HydrophobicContact CD1-CD2 4.05Å; L298-L385 HydrophobicContact CD2-CD1 3.62Å; I300-L385 HydrophobicContact CD1-CD1 3.66Å; I300-L385 HydrophobicContact CG1-CD1 4.44Å; L340-L385 HydrophobicContact CD1-CB 4.15Å; L340-L385 HydrophobicContact CD1-CD2 3.47Å; L340-L385 VanDerWaalsContact CD1-CD2 3.47Å; L340-L385 HydrophobicContact CD1-CG 3.62Å; I374-L385 HydrophobicContact CG2-CD2 4.34Å; V376-L385 HydrophobicContact CG1-CD2 4.04Å; G381-L385 VanDerWaalsContact O-CB 3.22Å; G381-L385 WeakPolarHBondContact O-CB 3.46Å; G381-L385 PolarHBondContact O-N 2.95Å; A382-L385 PolarHBondContact O-N 2.89Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.05Å; L385-Q388 PolarHBondContact O-N 3.48Å; L385-M389 HydrophobicContact CD1-CG 4.3Å; L385-M389 HydrophobicContact CD1-SD 4.27Å; L385-M389 HydrophobicContact CG-SD 4.25Å; L385-M389 VanDerWaalsContact O-CG 3.29Å; L385-M389 WeakPolarHBondContact O-CG 3.29Å; L385-M389 PolarHBondContact O-N 3.01Å
386L93.4Very high88.2Confident24 Ų2458.9 Ų58.913%0.12633%0.326CS..Hα-helixtrans-60.3-46.6176.8-176.863.9000111.5I333 Q335 L340 A382 T383 T384 Q388 M389 D390I333-L386 HydrophobicContact CB-CD1 4.09Å; I333-L386 HydrophobicContact CG2-CD1 3.68Å; Q335-L386 HydrophobicContact CB-CD2 4.06Å; L340-L386 HydrophobicContact CD2-CB 4.23Å; A382-L386 PolarHBondContact O-N 2.84Å; T383-L386 PolarHBondContact O-N 3.34Å; T384-L386 PolarHBondContact O-N 2.9Å; L386-Q388 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.36Å; L386-M389 WeakPolarHBondContact O-CB 3.48Å; L386-M389 PolarHBondContact O-N 3.3Å; L386-M389 VanDerWaalsContact O-N 3.15Å; L386-D390 PolarHBondContact O-N 3.15Å
387N92.9Very high85.9Confident89 Ų8962.7 Ų62.748%0.47636%0.358SS..Hα-helixtrans-60.3-41.5178.2-70.1-14.1000112.2T383 T384 D390 S391T383-N387 WeakPolarHBondContact O-CB 3.43Å; T383-N387 VanDerWaalsContact O-CG 3.23Å; T383-N387 PolarHBondContact O-N 3.19Å; T383-N387 PolarHBondContact O-ND2 3.04Å; T384-N387 PolarHBondContact O-N 3.33Å; N387-D390 PolarHBondContact O-N 3.17Å; N387-S391 WeakPolarHBondContact O-CB 3.49Å; N387-S391 PolarHBondContact O-N 3.21Å; N387-S391 PolarHBondContact O-OG 3.04Å
388Q91.9Very high83.3Confident60 Ų6063 Ų6328%0.2836%0.36SS..Hα-helixtrans-64.8-40.2175.9-69.6-66.4-33.300111.6F276 I300 T384 L385 L386 H392F276-Q388 HydrophobicContact CB-CB 4.46Å; F276-Q388 HydrophobicContact CB-CG 4.33Å; F276-Q388 HydrophobicContact CD2-CG 3.96Å; F276-Q388 HydrophobicContact CE2-CG 4.38Å; F276-Q388 HydrophobicContact CG-CB 4.38Å; F276-Q388 HydrophobicContact CG-CG 4.02Å; I300-Q388 HydrophobicContact CD1-CB 3.89Å; T384-Q388 HydrophobicContact CG2-CG 4.45Å; T384-Q388 VanDerWaalsContact O-CG 3.26Å; T384-Q388 WeakPolarHBondContact O-CG 3.31Å; T384-Q388 PolarHBondContact O-N 2.95Å; L385-Q388 PolarHBondContact O-N 3.48Å; L386-Q388 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.36Å; Q388-H392 PolarHBondContact O-CD2 3.4Å; Q388-H392 PolarHBondContact O-N 2.73Å
389M91Very high80.3Confident0 Ų068.1 Ų68.10%040%0.398CS..Hα-helixtrans-64.5-46.5175.6-69.1178.27700111.7I300 L308 L310 V327 I333 L340 L385 L386 H392 R393I300-M389 HydrophobicContact CD1-CG 3.72Å; L308-M389 HydrophobicContact CD2-CB 4.24Å; L308-M389 HydrophobicContact CD2-CE 4.39Å; L308-M389 HydrophobicContact CD2-CG 3.96Å; L310-M389 HydrophobicContact CD2-CE 4.13Å; V327-M389 HydrophobicContact CG1-CE 4.45Å; V327-M389 HydrophobicContact CG2-CE 4.35Å; I333-M389 HydrophobicContact CD1-CB 4.43Å; I333-M389 HydrophobicContact CD1-CE 3.41Å; I333-M389 VanDerWaalsContact CD1-CE 3.41Å; I333-M389 HydrophobicContact CD1-SD 4.2Å; I333-M389 HydrophobicContact CG1-CE 4.42Å; L340-M389 HydrophobicContact CD1-SD 4.41Å; L385-M389 HydrophobicContact CD1-CG 4.3Å; L385-M389 HydrophobicContact CD1-SD 4.27Å; L385-M389 HydrophobicContact CG-SD 4.25Å; L385-M389 VanDerWaalsContact O-CG 3.29Å; L385-M389 WeakPolarHBondContact O-CG 3.29Å; L385-M389 PolarHBondContact O-N 3.01Å; L386-M389 WeakPolarHBondContact O-CB 3.48Å; L386-M389 PolarHBondContact O-N 3.3Å; L386-M389 VanDerWaalsContact O-N 3.15Å; M389-H392 PolarHBondContact O-N 2.93Å; M389-R393 WeakPolarHBondContact O-CB 3.38Å; M389-R393 PolarHBondContact O-N 3.08Å; M389-R393 VanDerWaalsContact O-N 3.11Å
390D89.8Confident79.6Confident42 Ų4265.8 Ų65.823%0.22539%0.392CS..Hα-helixtrans-66.7-38-178.8-76-26.3000112.3L386 N387 H392 R393 V395L386-D390 PolarHBondContact O-N 3.15Å; N387-D390 PolarHBondContact O-N 3.17Å; D390-H392 VanDerWaalsContact C-N 3.29Å; D390-H392 PolarHBondContact O-N 2.82Å; D390-R393 PolarHBondContact O-N 2.76Å; D390-V395 HydrophobicContact CB-CB 4.27Å; D390-V395 PolarHBondContact O-N 3.45Å
391S88.3Confident78.7Confident84 Ų8460.9 Ų60.959%0.58737%0.373SS*.Hα-helixtrans-57.9-40176.3-60.30000112.5N387N387-S391 WeakPolarHBondContact O-CB 3.49Å; N387-S391 PolarHBondContact O-N 3.21Å; N387-S391 PolarHBondContact O-OG 3.04Å
392H85Confident77.8Confident53 Ų5363.5 Ų63.525%0.24539%0.385CS..Hα-helixtrans-91.3-9.7-178-71.8-58.1000114.5V275 L308 Q388 M389 D390V275-H392 WeakPolarHBondContact CG1-NE2 3.41Å; L308-H392 HydrophobicContact CD1-CB 3.6Å; Q388-H392 PolarHBondContact O-CD2 3.4Å; Q388-H392 PolarHBondContact O-N 2.73Å; M389-H392 PolarHBondContact O-N 2.93Å; D390-H392 VanDerWaalsContact C-N 3.29Å; D390-H392 PolarHBondContact O-N 2.82Å
393R81.5Confident76.8Confident14 Ų1467.2 Ų67.25%0.05341%0.408CS..THydrogen-bonded Turntrans-95.77.1-176.4-174.5176.6173.4-98.2-10.1113T328 K329 E330 M331 M389 D390 V395T328-R393 VanDerWaalsContact C-NE 3.34Å; T328-R393 PolarHBondContact O-NE 2.91Å; T328-R393 PolarHBondContact O-NH2 3.47Å; K329-R393 VanDerWaalsContact C-CZ 3.42Å; K329-R393 VanDerWaalsContact CA-CZ 3.46Å; K329-R393 VanDerWaalsContact CA-NH2 3.32Å; K329-R393 VanDerWaalsContact O-CZ 3.29Å; K329-R393 PolarHBondContact O-NH1 2.87Å; K329-R393 PolarHBondContact O-NH2 3.21Å; E330-R393 VanDerWaalsContact C-NH2 3.29Å; M331-R393 VanDerWaalsContact CA-NH2 3.35Å; M331-R393 PolarHBondContact O-NH2 2.91Å; M389-R393 WeakPolarHBondContact O-CB 3.38Å; M389-R393 PolarHBondContact O-N 3.08Å; M389-R393 VanDerWaalsContact O-N 3.11Å; D390-R393 PolarHBondContact O-N 2.76Å; R393-V395 HydrophobicContact CB-CG2 4.44Å; R393-V395 HydrophobicContact CG-CG2 4.28Å; R393-V395 PolarHBondContact O-N 2.81Å
394G69.3Low75.6Confident31 Ų3168 Ų6832%0.3241%0.412SS..THydrogen-bonded Turntrans68.520.1-178.100000113.4K329 S396K329-G394 PolarHBondContact NZ-O 3.29Å; K329-G394 VanDerWaalsContact NZ-O 3.07Å; G394-S396 PolarHBondContact O-N 3.14Å
395V64.4Low74.4Confident43 Ų4368.3 Ų68.326%0.26141%0.414SS..  trans-8889169.5-174.80000106.2K329 D390 R393 A397K329-V395 HydrophobicContact CG-CG2 4.08Å; D390-V395 HydrophobicContact CB-CB 4.27Å; D390-V395 PolarHBondContact O-N 3.45Å; R393-V395 HydrophobicContact CB-CG2 4.44Å; R393-V395 HydrophobicContact CG-CG2 4.28Å; R393-V395 PolarHBondContact O-N 2.81Å; V395-A397 PolarHBondContact O-N 3.15Å; V395-A397 VanDerWaalsContact O-N 3.09Å
396S51.8Low73Confident106 Ų10673.2 Ų73.274%0.74144%0.444SS*.  trans-50.6121.7164177.10000107.4G394 K398G394-S396 PolarHBondContact O-N 3.14Å; S396-K398 PolarHBondContact O-N 3.38Å; S396-K398 VanDerWaalsContact O-N 3.13Å
397A48.1Very low71.4Confident85 Ų8577 Ų7770%0.70247%0.468SS*.  trans-46.8124.5173.700000108V395 S399V395-A397 PolarHBondContact O-N 3.15Å; V395-A397 VanDerWaalsContact O-N 3.09Å; A397-S399 PolarHBondContact O-N 3.01Å
398K41.5Very low69.6Low211 Ų21176 Ų7692%0.91747%0.468SS*.  trans-58.8108.8169.1-76.7-179176.2-179.40106.3S396S396-K398 PolarHBondContact O-N 3.38Å; S396-K398 VanDerWaalsContact O-N 3.13Å
399S32.7Very low67.6Low183 Ų18377.5 Ų77.5100%1.2849%0.485SS*.  trans-65.20158.4-177.80000110.3A397A397-S399 PolarHBondContact O-N 3.01Å

Retrieved 399 of 399 residues in 58.8 ms (Link to these results)