A0A060VUJ0_ONCMY Loading...

Junctional adhesion molecule A

AlphaFold DB , UniProt , Accession A0A060VUJ0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene f11r.1, Length 296 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
1M35.9Very low37.7Very low243 Ų243145.5 Ų145.5100%1.19782%0.822SS**  0137.10-75.2165.977.700107.6
2F32.5Very low37.7Very low205 Ų205146.8 Ų146.890%0.89981%0.813SS**  trans-53.3165173.2-71.2-110.1000111.4
3V35.2Very low37.6Very low129 Ų129147.1 Ų147.178%0.78281%0.811SS**  cis-163156.644.3178.50000110.7
4S37.3Very low37.7Very low110 Ų110147.6 Ų147.677%0.76980%0.804SS**  trans-36.2162.4173.672.20000123
5G35.1Very low37.9Very low75 Ų75144.1 Ų144.177%0.77380%0.802SS**  trans-179.2102.114500000113.9
6L48.6Very low38.6Very low170 Ų170142.8 Ų142.889%0.8980%0.8SS**  trans-59.6142.7172.3-79.8116.1000112.8
7V37.7Very low39.4Very low148 Ų148137.3 Ų137.390%0.89778%0.783SS**  trans-142.1136.8142.2-174.80000110.3
8S38.4Very low40.3Very low93 Ų93135.6 Ų135.665%0.6577%0.77SS**  trans-57.2147.3-163.6-63.50000118.8
9V42.5Very low41Very low117 Ų117134.4 Ų134.471%0.70976%0.761SS**  trans-50.8125.7153.2176.80000110.8L11V9-L11 HydrophobicContact CG1-CD1 4.1Å
10F36.4Very low42Very low170 Ų170129.1 Ų129.175%0.74673%0.732SS**  trans-130.484.8151.9-84.8-78.7000108.4F12F10-F12 VanDerWaalsContact C-N 3.34Å; F10-F12 HydrophobicContact CB-CD2 4.28Å; F10-F12 HydrophobicContact CB-CE2 4.17Å; F10-F12 HydrophobicContact CD1-CE2 4.44Å; F10-F12 PolarHBondContact O-N 2.69Å; F10-F12 VanDerWaalsContact O-N 3.14Å
11L35Very low43.2Very low140 Ų140125 Ų12573%0.73372%0.715SS**  trans-68.597.8155.9-100.1124.6000106.8V9 L13V9-L11 HydrophobicContact CG1-CD1 4.1Å; L11-L13 PolarHBondContact O-N 3.03Å
12F37.4Very low45.1Very low161 Ų161114.5 Ų114.571%0.70666%0.662SS**  trans-71.785.8160.1-82.4-84.4000108F10 H14F10-F12 VanDerWaalsContact C-N 3.34Å; F10-F12 HydrophobicContact CB-CD2 4.28Å; F10-F12 HydrophobicContact CB-CE2 4.17Å; F10-F12 HydrophobicContact CD1-CE2 4.44Å; F10-F12 PolarHBondContact O-N 2.69Å; F10-F12 VanDerWaalsContact O-N 3.14Å; F12-H14 PolarHBondContact O-N 3.06Å
13L36.3Very low47.5Very low151 Ų151108.4 Ų108.479%0.79164%0.642SS**  trans-62.192.6154.5-92142.5000106.7L11 A15L11-L13 PolarHBondContact O-N 3.03Å; L13-A15 PolarHBondContact O-N 3.04Å
14H39.9Very low50.1Low155 Ų155103.3 Ų103.372%0.71861%0.611SS**  trans-6697.8157.3-82.774.1000105.7F12 T16F12-H14 PolarHBondContact O-N 3.06Å; H14-T16 PolarHBondContact O-N 2.74Å
15A41Very low52.8Low94 Ų94101.5 Ų101.578%0.77760%0.596SS**  trans-60.796.1161.900000106.3L13 G17L13-A15 PolarHBondContact O-N 3.04Å; A15-G17 PolarHBondContact O-N 3.01Å
16T49.1Very low55.7Low124 Ų12499.6 Ų99.676%0.76157%0.569SS**  trans-69.882.1159.752.70000105.6H14 I18H14-T16 PolarHBondContact O-N 2.74Å; T16-I18 PolarHBondContact O-N 3.2Å; T16-I18 VanDerWaalsContact O-N 3.08Å
17G50.9Low57.9Low49 Ų4996 Ų9651%0.50556%0.558SS.*  trans-56112.2159.800000106.2A15 D19A15-G17 PolarHBondContact O-N 3.01Å; G17-D19 VanDerWaalsContact C-N 3.28Å; G17-D19 PolarHBondContact O-N 3.31Å
18I55.8Low60.7Low107 Ų10790.5 Ų90.555%0.54952%0.524SS..  trans-66.999.8167.9-62.9170.6000104.4T16 C20 F49T16-I18 PolarHBondContact O-N 3.2Å; T16-I18 VanDerWaalsContact O-N 3.08Å; I18-C20 PolarHBondContact O-N 2.58Å; I18-F49 HydrophobicContact CG2-CD2 4.04Å; I18-F49 HydrophobicContact CG2-CE2 3.65Å; I18-F49 HydrophobicContact CG2-CZ 4.46Å
19D53.6Low63.5Low112 Ų11289 Ų8960%0.59952%0.516SS*.  trans-65.3100.5170.3-81-27.1000107.2G17 A21G17-D19 VanDerWaalsContact C-N 3.28Å; G17-D19 PolarHBondContact O-N 3.31Å; D19-A21 PolarHBondContact O-N 2.95Å
20C60.8Low66.1Low28 Ų2887.2 Ų87.219%0.18950%0.503CS..  trans-65.696.5176.3-65.50000109.2I18 N112I18-C20 PolarHBondContact O-N 2.58Å; C20-N112 PolarHBondContact N-ND2 3.01Å; C20-N112 VanDerWaalsContact O-CB 3.25Å; C20-N112 WeakPolarHBondContact O-CB 3.48Å; C20-N112 PolarHBondContact O-ND2 3.15Å
21A67.4Low69Low45 Ų4579.9 Ų79.937%0.37247%0.472SS..PPolyproline II helixtrans-72137.6-18000000110.1D19 D48D19-A21 PolarHBondContact O-N 2.95Å; A21-D48 PolarHBondContact O-N 2.83Å
22F76.2Confident71.9Confident22 Ų2280.8 Ų80.810%0.09647%0.466CS..EExtended strand (participates in β ladder)trans-101.7128.8168.2-73.4-88.1000108.7A47 A51 A53 V107 N112F22-A47 HydrophobicContact CD1-CB 3.68Å; F22-A47 HydrophobicContact CE1-CB 3.34Å; F22-A47 HydrophobicContact CZ-CB 4.11Å; F22-A51 HydrophobicContact CZ-CB 4.15Å; F22-A53 HydrophobicContact CD1-CB 4.37Å; F22-A53 HydrophobicContact CE1-CB 3.72Å; F22-V107 HydrophobicContact CD1-CG1 3.94Å; F22-V107 HydrophobicContact CE1-CG1 4.36Å; F22-V107 HydrophobicContact CG-CG1 4.49Å; F22-N112 HydrophobicContact CD2-CB 3.98Å
23T83.9Confident74.7Confident77 Ų7773.5 Ų73.547%0.47244%0.435SS..EExtended strand (participates in β ladder)trans-99126.2167.1-59.80000108.2T25 H45 S46T23-T25 HydrophobicContact CG2-CG2 4.16Å; T23-H45 VanDerWaalsContact O-CA 3.26Å; T23-H45 WeakPolarHBondContact O-CA 3.42Å; T23-S46 PolarHBondContact N-O 2.85Å; T23-S46 PolarHBondContact O-N 2.78Å
24V89.6Confident77.5Confident21 Ų2171.5 Ų71.513%0.12742%0.42CS..EExtended strand (participates in β ladder)trans-124.2126.4179.2-1720000108.6T44 H45 V107 V116V24-T44 WeakPolarHBondContact CA-O 3.49Å; V24-H45 HydrophobicContact CG2-CB 4.42Å; V24-V107 HydrophobicContact CB-CG2 4.39Å; V24-V107 HydrophobicContact CG1-CG2 3.88Å; V24-V107 HydrophobicContact CG2-CB 3.6Å; V24-V107 HydrophobicContact CG2-CG2 3.53Å; V24-V116 HydrophobicContact CG1-CB 4.02Å; V24-V116 HydrophobicContact CG1-CG1 3.67Å
25T92.5Very high80.1Confident73 Ų7366.8 Ų66.845%0.44840%0.398SS..EExtended strand (participates in β ladder)trans-136.8163.7-177.958.10000110.6T23 C43 T44T23-T25 HydrophobicContact CG2-CG2 4.16Å; T25-C43 WeakPolarHBondContact O-CA 3.49Å; T25-T44 PolarHBondContact N-O 3.13Å; T25-T44 PolarHBondContact O-N 3.24Å
26T95.9Very high82.7Confident35 Ų3567.3 Ų67.322%0.21539%0.388CS..  trans-130.3143173.5-177.80000109.2N28 A29 Y42 V116 V118T26-N28 PolarHBondContact OG1-N 2.91Å; T26-N28 PolarHBondContact OG1-OD1 3.16Å; T26-A29 HydrophobicContact CG2-CB 4.01Å; T26-Y42 VanDerWaalsContact CB-O 3.25Å; T26-Y42 WeakPolarHBondContact CB-O 3.32Å; T26-Y42 PolarHBondContact OG1-O 2.87Å; T26-V116 HydrophobicContact CG2-CG2 3.53Å; T26-V118 HydrophobicContact CG2-CG2 4.16Å; T26-V118 WeakPolarHBondContact OG1-CG2 3.25Å
27S96Very high85Confident94 Ų9466.2 Ų66.266%0.65738%0.375SS*.SBendtrans-87.7-12.6171.756.80000112.8Y42S27-Y42 WeakPolarHBondContact OG-CB 3.49Å
28N96.8Very high87.2Confident33 Ų3366.1 Ų66.118%0.17637%0.374CS..  trans-140.275.6-176.367.5-21.8000113.2T26 D30 V31 D40 Y42 V118T26-N28 PolarHBondContact OG1-N 2.91Å; T26-N28 PolarHBondContact OG1-OD1 3.16Å; N28-D30 VanDerWaalsContact C-N 3.31Å; N28-D30 PolarHBondContact O-N 3.23Å; N28-V31 HydrophobicContact CB-CG2 4.1Å; N28-V31 WeakPolarHBondContact ND2-CG2 3.34Å; N28-V31 WeakPolarHBondContact O-CG2 3.41Å; N28-D40 PolarHBondContact ND2-O 2.9Å; N28-Y42 HydrophobicContact CB-CD2 4.41Å; N28-Y42 WeakPolarHBondContact ND2-CD2 3.36Å; N28-Y42 WeakPolarHBondContact OD1-CB 3.31Å; N28-Y42 PolarHBondContact OD1-N 2.68Å; N28-V118 VanDerWaalsContact O-CG1 3.28Å; N28-V118 WeakPolarHBondContact O-CG1 3.44Å
29A96.7Very high89.2Confident60 Ų6061.3 Ų61.350%0.49635%0.35SS..SBendtrans-66.1-23.1-178.400000115.3T26 K119T26-A29 HydrophobicContact CG2-CB 4.01Å; A29-K119 PolarHBondContact O-N 2.59Å
30D96.8Very high91.3Very high80 Ų8057.8 Ų57.843%0.42833%0.331SS..EExtended strand (participates in β ladder)trans-126.4107.7173.3-17615.2000109.5N28 R32N28-D30 VanDerWaalsContact C-N 3.31Å; N28-D30 PolarHBondContact O-N 3.23Å; D30-R32 IonicContact OD2-CZ 3.43Å; D30-R32 IonicContact OD2-NE 3.72Å; D30-R32 IonicContact OD2-NH2 3.83Å; D30-R32 PolarHBondContact OD2-NH2 2.85Å
31V97.3Very high93Very high17 Ų1756.5 Ų56.510%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-105.9131-179.5-175.60000109N28 A39 V118 K119 L120 T121N28-V31 HydrophobicContact CB-CG2 4.1Å; N28-V31 WeakPolarHBondContact ND2-CG2 3.34Å; N28-V31 WeakPolarHBondContact O-CG2 3.41Å; V31-A39 HydrophobicContact CG1-CB 4.49Å; V31-V118 HydrophobicContact CG2-CG1 3.78Å; V31-K119 PolarHBondContact N-O 2.86Å; V31-L120 HydrophobicContact CB-CD1 4.01Å; V31-L120 HydrophobicContact CG1-CD1 3.8Å; V31-L120 WeakPolarHBondContact O-CA 3.45Å; V31-T121 PolarHBondContact O-N 3.34Å
32R96.3Very high94.4Very high159 Ų15958.8 Ų58.860%0.632%0.322SS*.EExtended strand (participates in β ladder)trans-121.4124.7175.2-56-173.3-176.1175.33.8109.5D30 T121 L123D30-R32 IonicContact OD2-CZ 3.43Å; D30-R32 IonicContact OD2-NE 3.72Å; D30-R32 IonicContact OD2-NH2 3.83Å; D30-R32 PolarHBondContact OD2-NH2 2.85Å; R32-T121 WeakPolarHBondContact CA-O 3.43Å; R32-L123 HydrophobicContact CB-CD1 4.08Å; R32-L123 HydrophobicContact CB-CG 4.31Å
33A96.7Very high95.3Very high8 Ų858 Ų587%0.06632%0.319CS..EExtended strand (participates in β ladder)trans-136.2142.4-179.300000109.6A39 V95 L120 T121 V122 L123A33-A39 HydrophobicContact CB-CB 3.78Å; A33-V95 HydrophobicContact CB-CG2 3.93Å; A33-L120 HydrophobicContact CB-CD1 4.42Å; A33-T121 PolarHBondContact N-O 2.77Å; A33-T121 VanDerWaalsContact N-O 3.14Å; A33-V122 CarbonylContact O-C 3.58Å; A33-V122 WeakPolarHBondContact O-CA 3.37Å; A33-L123 PolarHBondContact O-N 2.78Å
34K95.4Very high95.6Very high108 Ų10858.2 Ų58.247%0.4732%0.32SS..EExtended strand (participates in β ladder)trans-75.3150.5174.8-63.2173.9-179.5171.70110.2N36 E37 V95 L123K34-N36 PolarHBondContact O-N 3.44Å; K34-E37 HydrophobicContact CB-CG 4.15Å; K34-E37 WeakPolarHBondContact O-CB 3.23Å; K34-E37 PolarHBondContact O-N 3.41Å; K34-E37 VanDerWaalsContact O-N 3.1Å; K34-V95 VanDerWaalsContact O-CG2 3.23Å; K34-V95 WeakPolarHBondContact O-CG2 3.35Å; K34-L123 WeakPolarHBondContact CA-O 3.3Å; K34-L123 HydrophobicContact CG-CB 4.34Å
35E94.6Very high95.6Very high56 Ų5659.5 Ų59.526%0.26233%0.325SS..THydrogen-bonded Turntrans-56.3137.2175.4-179.2165.9-129.100111.4E37 R97 V122 L123 V124E35-E37 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 2.88Å; E35-R97 WeakPolarHBondContact OE1-CD 3.44Å; E35-R97 VanDerWaalsContact OE1-CG 3.26Å; E35-R97 WeakPolarHBondContact OE1-CG 3.43Å; E35-R97 PolarHBondContact OE1-N 3.4Å; E35-R97 IonicContact OE1-NE 3.98Å; E35-R97 PolarHBondContact OE1-NE 2.98Å; E35-R97 IonicContact OE2-CZ 3.58Å; E35-R97 IonicContact OE2-NE 2.72Å; E35-R97 PolarHBondContact OE2-NE 3.49Å; E35-R97 IonicContact OE2-NH2 3.37Å; E35-V122 HydrophobicContact CB-CG1 4.08Å; E35-L123 PolarHBondContact N-O 2.72Å; E35-V124 HydrophobicContact CB-CG2 3.97Å
36N94.9Very high95.2Very high106 Ų10659.2 Ų59.257%0.56733%0.326SS*.THydrogen-bonded Turntrans69.67-173.7-52.4-59.4000116.5K34 V95K34-N36 PolarHBondContact O-N 3.44Å; N36-V95 PolarHBondContact N-O 2.97Å
37E96.2Very high94.3Very high101 Ų10158.8 Ų58.847%0.47233%0.326SS..SBendtrans-98.6166.6170.8-63.6-177.1-179.200111.7K34 E35 K94 V95K34-E37 HydrophobicContact CB-CG 4.15Å; K34-E37 WeakPolarHBondContact O-CB 3.23Å; K34-E37 PolarHBondContact O-N 3.41Å; K34-E37 VanDerWaalsContact O-N 3.1Å; E35-E37 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 2.88Å; E37-K94 CarbonylContact O-C 3.58Å; E37-K94 VanDerWaalsContact O-CA 3.32Å; E37-K94 WeakPolarHBondContact O-CA 3.47Å; E37-V95 WeakPolarHBondContact O-CG2 3.43Å; E37-V95 PolarHBondContact O-N 2.84Å
38G96.9Very high93.1Very high47 Ų4758 Ų5849%0.48531%0.314SS..  trans-76.7155.417600000112.5F92G38-F92 WeakPolarHBondContact CA-O 3.23Å
39A98Very high91.8Very high6 Ų664.5 Ų64.55%0.0534%0.341CS..EExtended strand (participates in β ladder)trans-145.1136.4174.700000111.1V31 A33 L41 F92 V95 L120V31-A39 HydrophobicContact CG1-CB 4.49Å; A33-A39 HydrophobicContact CB-CB 3.78Å; A39-L41 HydrophobicContact CB-CD1 4.48Å; A39-F92 HydrophobicContact CB-CB 4.38Å; A39-F92 PolarHBondContact N-O 3.01Å; A39-F92 VanDerWaalsContact N-O 3.1Å; A39-F92 PolarHBondContact O-N 2.82Å; A39-V95 HydrophobicContact CB-CG1 3.54Å; A39-L120 HydrophobicContact CB-CD1 4Å
40D97.8Very high90.1Very high38 Ų3864.8 Ų64.820%0.20335%0.35CS..EExtended strand (participates in β ladder)trans-114.2127.4179.3-68.2-19.8000110.1N28 Y42 M89 R91N28-D40 PolarHBondContact ND2-O 2.9Å; D40-Y42 HydrophobicContact CB-CE2 4.08Å; D40-M89 HydrophobicContact CB-SD 4.06Å; D40-R91 WeakPolarHBondContact OD1-CB 3.27Å; D40-R91 WeakPolarHBondContact OD1-CG 3.42Å; D40-R91 IonicContact OD1-CZ 3.5Å; D40-R91 IonicContact OD1-NE 2.71Å; D40-R91 PolarHBondContact OD1-NE 2.97Å; D40-R91 IonicContact OD1-NH2 3.45Å; D40-R91 IonicContact OD2-CZ 2.68Å; D40-R91 IonicContact OD2-NE 3.58Å; D40-R91 PolarHBondContact OD2-NE 2.85Å; D40-R91 IonicContact OD2-NH2 3.88Å; D40-R91 PolarHBondContact OD2-NH2 2.9Å
41L97.9Very high88.8Confident0 Ų062.7 Ų62.70%034%0.344CS..EExtended strand (participates in β ladder)trans-111.7115.1175.1-68.466.6000107.2A39 W57 M89 L90 F92 Y103 V118 L120A39-L41 HydrophobicContact CB-CD1 4.48Å; L41-W57 HydrophobicContact CB-CH2 3.65Å; L41-W57 HydrophobicContact CB-CZ2 4.26Å; L41-W57 HydrophobicContact CB-CZ3 4.12Å; L41-W57 HydrophobicContact CD2-CH2 4.42Å; L41-W57 HydrophobicContact CD2-CZ3 4.04Å; L41-M89 WeakPolarHBondContact O-CA 3.28Å; L41-M89 WeakPolarHBondContact O-CG 3.29Å; L41-L90 HydrophobicContact CB-CB 4.28Å; L41-L90 HydrophobicContact CD2-CD2 4.46Å; L41-L90 PolarHBondContact N-O 2.02Å; L41-L90 PolarHBondContact O-N 2.78Å; L41-F92 HydrophobicContact CD1-CD2 4Å; L41-F92 HydrophobicContact CD1-CE2 4.05Å; L41-Y103 HydrophobicContact CD2-CD1 4.11Å; L41-Y103 HydrophobicContact CD2-CD2 3.79Å; L41-Y103 HydrophobicContact CD2-CG 3.56Å; L41-V118 HydrophobicContact CB-CG1 4.05Å; L41-V118 HydrophobicContact CD2-CB 4.27Å; L41-V118 HydrophobicContact CD2-CG1 3.9Å; L41-V118 HydrophobicContact CG-CB 4.5Å; L41-V118 HydrophobicContact CG-CG1 3.73Å; L41-L120 HydrophobicContact CD1-CD2 4.48Å
42Y96.5Very high87.6Confident93 Ų9369.5 Ų69.537%0.36538%0.38SS..  trans-88.6135.8-175.8-69.9-79.4000110.8T26 S27 N28 D40 M89T26-Y42 VanDerWaalsContact CB-O 3.25Å; T26-Y42 WeakPolarHBondContact CB-O 3.32Å; T26-Y42 PolarHBondContact OG1-O 2.87Å; S27-Y42 WeakPolarHBondContact OG-CB 3.49Å; N28-Y42 HydrophobicContact CB-CD2 4.41Å; N28-Y42 WeakPolarHBondContact ND2-CD2 3.36Å; N28-Y42 WeakPolarHBondContact OD1-CB 3.31Å; N28-Y42 PolarHBondContact OD1-N 2.68Å; D40-Y42 HydrophobicContact CB-CE2 4.08Å; Y42-M89 HydrophobicContact CD1-CB 4.37Å; Y42-M89 HydrophobicContact CD1-CG 4Å; Y42-M89 HydrophobicContact CD1-SD 3.92Å; Y42-M89 HydrophobicContact CE1-CG 4.1Å; Y42-M89 HydrophobicContact CE1-SD 3.38Å; Y42-M89 WeakPolarHBondContact CE1-SD 3.37Å
43C93.9Very high86.9Confident6 Ų663.5 Ų63.54%0.04136%0.364CS..  trans-138.7116.5170.6178.30000108.1T25 W57 G88 C105T25-C43 WeakPolarHBondContact O-CA 3.49Å; C43-W57 HydrophobicContact CB-CH2 4.12Å; C43-W57 HydrophobicContact CB-CZ2 3.53Å; C43-G88 WeakPolarHBondContact CB-O 3.37Å; C43-C105 HydrophobicContact CB-CB 3.5Å; C43-C105 WeakPolarHBondContact CB-SG 3.42Å; C43-C105 WeakPolarHBondContact SG-CB 3.36Å; C43-C105 CovalentContact SG-SG 2.02Å; C43-C105 PolarHBondContact SG-SG 2.79Å
44T92Very high86.5Confident81 Ų8168.8 Ų68.850%0.49738%0.382SS..EExtended strand (participates in β ladder)trans-107.1133.4177.3-54.50000107.8V24 T25V24-T44 WeakPolarHBondContact CA-O 3.49Å; T25-T44 PolarHBondContact N-O 3.13Å; T25-T44 PolarHBondContact O-N 3.24Å
45H88.6Confident86.2Confident49 Ų4963.9 Ų63.923%0.22736%0.361CS..EExtended strand (participates in β ladder)trans-132.8144.8-179.765.8-73000110.5T23 V24 A53 D87 V107T23-H45 VanDerWaalsContact O-CA 3.26Å; T23-H45 WeakPolarHBondContact O-CA 3.42Å; V24-H45 HydrophobicContact CG2-CB 4.42Å; H45-A53 WeakPolarHBondContact CD2-CB 3.32Å; H45-A53 WeakPolarHBondContact NE2-CB 3.29Å; H45-D87 PolarHBondContact CE1-O 3.47Å; H45-V107 HydrophobicContact CB-CG1 4.17Å; H45-V107 HydrophobicContact CB-CG2 3.93Å
46S84.3Confident86.1Confident66 Ų6662.4 Ų62.446%0.46235%0.354SS..EExtended strand (participates in β ladder)trans-131.6140.117161.20000109.1T23T23-S46 PolarHBondContact N-O 2.85Å; T23-S46 PolarHBondContact O-N 2.78Å
47A76.3Confident86.2Confident27 Ų2757.3 Ų57.322%0.22333%0.327CS..EExtended strand (participates in β ladder)trans-118.3133178.900000109.1F22 A51F22-A47 HydrophobicContact CD1-CB 3.68Å; F22-A47 HydrophobicContact CE1-CB 3.34Å; F22-A47 HydrophobicContact CZ-CB 4.11Å; A47-A51 HydrophobicContact CB-CB 4.23Å
48D72.2Confident86.2Confident77 Ų7754.7 Ų54.741%0.41231%0.314SS..G310 helixtrans-62.1141.1169.6-64.9-26.3000109.8A21 G50A21-D48 PolarHBondContact O-N 2.83Å; D48-G50 PolarHBondContact O-N 3.16Å; D48-G50 VanDerWaalsContact O-N 3.14Å
49F67.7Low86.1Confident170 Ų17053.3 Ų53.375%0.74630%0.295SS*.G310 helixtrans59.321.9175.6-50.6-78.5000116.4I18 A51I18-F49 HydrophobicContact CG2-CD2 4.04Å; I18-F49 HydrophobicContact CG2-CE2 3.65Å; I18-F49 HydrophobicContact CG2-CZ 4.46Å; F49-A51 PolarHBondContact O-N 3.14Å
50G62.5Low85.9Confident66 Ų6656.5 Ų56.568%0.6831%0.308SS*.G310 helixtrans71.326.4171.900000114.5D48D48-G50 PolarHBondContact O-N 3.16Å; D48-G50 VanDerWaalsContact O-N 3.14Å
51A68.8Low85.2Confident36 Ų3657.2 Ų57.230%0.29831%0.311SS..  trans-60.9138.317500000111.6F22 A47 F49 A53F22-A51 HydrophobicContact CZ-CB 4.15Å; A47-A51 HydrophobicContact CB-CB 4.23Å; F49-A51 PolarHBondContact O-N 3.14Å; A51-A53 PolarHBondContact O-N 2.78Å; A51-A53 VanDerWaalsContact O-N 3.16Å
52N73.1Confident84.3Confident159 Ų15965.5 Ų65.585%0.8535%0.352SS*.  trans-66.6114.3175.5-74.1-28.3000110.3
53A80.9Confident83.7Confident33 Ų3370.2 Ų70.227%0.27338%0.375SS..  trans-86.5130.1-179.900000111.7F22 H45 A51 V107F22-A53 HydrophobicContact CD1-CB 4.37Å; F22-A53 HydrophobicContact CE1-CB 3.72Å; H45-A53 WeakPolarHBondContact CD2-CB 3.32Å; H45-A53 WeakPolarHBondContact NE2-CB 3.29Å; A51-A53 PolarHBondContact O-N 2.78Å; A51-A53 VanDerWaalsContact O-N 3.16Å; A53-V107 HydrophobicContact CB-CG1 3.73Å
54R87.2Confident83.3Confident120 Ų12071.8 Ų71.845%0.45339%0.392SS..EExtended strand (participates in β ladder)trans-95.6108.2168.9-179.9-178.1-69.2-90.2-2109.2E56 D72 V107 S108R54-E56 HydrophobicContact CG-CG 4.3Å; R54-D72 IonicContact CZ-OD1 3.85Å; R54-D72 IonicContact NH1-OD1 3.21Å; R54-D72 PolarHBondContact NH1-OD1 3.14Å; R54-D72 IonicContact NH2-OD1 3.56Å; R54-V107 WeakPolarHBondContact O-CA 3.32Å; R54-S108 WeakPolarHBondContact CB-O 3.4Å; R54-S108 PolarHBondContact N-O 2.78Å; R54-S108 PolarHBondContact O-N 3.34Å
55V90.2Very high83.1Confident4 Ų470.9 Ų70.92%0.02439%0.389CS..EExtended strand (participates in β ladder)trans-93.9123.5175.9-1730000111.1K85 C105 A106 V107V55-K85 PolarHBondContact O-NZ 3.38Å; V55-C105 WeakPolarHBondContact CG1-SG 3.48Å; V55-A106 WeakPolarHBondContact CA-O 3.21Å; V55-V107 HydrophobicContact CG1-CG2 4.3Å; V55-V107 HydrophobicContact CG2-CG1 4.27Å; V55-V107 HydrophobicContact CG2-CG2 4.04Å
56E93.1Very high83.3Confident25 Ų2572.3 Ų72.312%0.11740%0.401CS..EExtended strand (participates in β ladder)trans-122.1149.3175-63.5-171.1163.700110.5R54 H68 A106R54-E56 HydrophobicContact CG-CG 4.3Å; E56-H68 IonicContact OE2-CE1 3.28Å; E56-H68 IonicContact OE2-ND1 3.74Å; E56-A106 PolarHBondContact N-O 2.83Å; E56-A106 PolarHBondContact O-N 2.89Å
57W96.3Very high83.7Confident0 Ų072 Ų720%040%0.397CS..EExtended strand (participates in β ladder)trans-117.8132.3175.3-80.289.8000109.6L41 C43 V69 I70 G88 L90 Y104 C105 V118L41-W57 HydrophobicContact CB-CH2 3.65Å; L41-W57 HydrophobicContact CB-CZ2 4.26Å; L41-W57 HydrophobicContact CB-CZ3 4.12Å; L41-W57 HydrophobicContact CD2-CH2 4.42Å; L41-W57 HydrophobicContact CD2-CZ3 4.04Å; C43-W57 HydrophobicContact CB-CH2 4.12Å; C43-W57 HydrophobicContact CB-CZ2 3.53Å; W57-V69 HydrophobicContact CB-CB 4.1Å; W57-V69 PolarHBondContact O-N 2.99Å; W57-I70 HydrophobicContact CB-CB 4.07Å; W57-I70 HydrophobicContact CB-CG1 4.03Å; W57-I70 HydrophobicContact CG-CG1 4.39Å; W57-I70 PolarHBondContact N-O 2.97Å; W57-I70 PolarHBondContact O-N 2.94Å; W57-I70 VanDerWaalsContact O-N 3.13Å; W57-G88 WeakPolarHBondContact CZ2-O 3.47Å; W57-G88 PolarHBondContact NE1-O 2.87Å; W57-L90 HydrophobicContact CB-CD1 4.37Å; W57-L90 HydrophobicContact CB-CD2 4.18Å; W57-L90 HydrophobicContact CD2-CB 3.91Å; W57-L90 HydrophobicContact CD2-CD2 3.9Å; W57-L90 HydrophobicContact CD2-CG 4.38Å; W57-L90 HydrophobicContact CE3-CD2 4.08Å; W57-L90 HydrophobicContact CG-CB 4.18Å; W57-L90 HydrophobicContact CG-CD1 4.08Å; W57-L90 HydrophobicContact CG-CD2 3.97Å; W57-L90 HydrophobicContact CG-CG 4.33Å; W57-L90 HydrophobicContact CZ2-CB 3.89Å; W57-Y104 CarbonylContact C-O 3.59Å; W57-Y104 WeakPolarHBondContact CA-O 3.2Å; W57-C105 HydrophobicContact CD2-CB 4.02Å; W57-C105 HydrophobicContact CE3-CB 4.04Å; W57-C105 HydrophobicContact CH2-CB 3.73Å; W57-C105 HydrophobicContact CZ2-CB 3.68Å; W57-C105 HydrophobicContact CZ3-CB 3.9Å; W57-V118 HydrophobicContact CH2-CG2 4.14Å; W57-V118 HydrophobicContact CZ3-CB 4.43Å; W57-V118 HydrophobicContact CZ3-CG2 4.39Å
58K95.4Very high84.6Confident46 Ų4673.9 Ų73.920%0.240%0.401CS..EExtended strand (participates in β ladder)trans-119.3141.1176.3-61.2172.5-174.9168.50109.5T66 T67 Y103 Y104K58-T66 HydrophobicContact CB-CG2 3.81Å; K58-T66 HydrophobicContact CD-CG2 4.13Å; K58-T66 HydrophobicContact CG-CG2 4.32Å; K58-T67 CarbonylContact C-O 3.57Å; K58-T67 VanDerWaalsContact CA-O 3.29Å; K58-T67 WeakPolarHBondContact CA-O 3.38Å; K58-Y103 CarbonylContact O-C 3.59Å; K58-Y103 VanDerWaalsContact O-CA 3.27Å; K58-Y103 WeakPolarHBondContact O-CA 3.39Å; K58-Y104 PolarHBondContact N-O 2.86Å; K58-Y104 PolarHBondContact O-N 2.68Å
59F96Very high85.8Confident18 Ų1870.2 Ų70.28%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-106.8129.7172170.5-110.7000108.8D61 T66 T67 V69 Y103F59-D61 HydrophobicContact CE1-CB 3.83Å; F59-D61 HydrophobicContact CZ-CB 4.22Å; F59-T66 CarbonylContact O-C 3.59Å; F59-T66 VanDerWaalsContact O-CA 3.29Å; F59-T66 WeakPolarHBondContact O-CA 3.26Å; F59-T67 PolarHBondContact N-O 2.88Å; F59-T67 PolarHBondContact O-N 2.85Å; F59-V69 HydrophobicContact CB-CG2 3.54Å; F59-Y103 HydrophobicContact CB-CD1 4.17Å; F59-Y103 HydrophobicContact CB-CE1 3.95Å; F59-Y103 HydrophobicContact CD2-CD1 4.21Å; F59-Y103 HydrophobicContact CD2-CD2 4.11Å; F59-Y103 AromaticContact CD2-CE1 3.74Å; F59-Y103 HydrophobicContact CD2-CE1 3.74Å; F59-Y103 AromaticContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CG 4.38Å; F59-Y103 AromaticContact CD2-CZ 3.4Å; F59-Y103 VanDerWaalsContact CD2-CZ 3.4Å; F59-Y103 AromaticContact CE2-CE2 3.9Å; F59-Y103 HydrophobicContact CE2-CE2 3.9Å; F59-Y103 AromaticContact CE2-CZ 3.92Å; F59-Y103 HydrophobicContact CG-CE1 4.21Å
60K92.8Very high87.1Confident73 Ų7362.1 Ų62.132%0.31735%0.346SS..EExtended strand (participates in β ladder)trans-110.9117.7173.3-168.8178.5-178.3179.90108.9S65 E102 Y104K60-S65 WeakPolarHBondContact CA-O 3.34Å; K60-E102 PolarHBondContact N-O 2.77Å; K60-E102 PolarHBondContact O-N 3.03Å; K60-Y104 HydrophobicContact CB-CD2 4.21Å; K60-Y104 HydrophobicContact CB-CE2 3.68Å; K60-Y104 HydrophobicContact CD-CE2 3.95Å; K60-Y104 HydrophobicContact CG-CE2 4.49Å
61D84.8Confident88.5Confident52 Ų5264.1 Ų64.128%0.27834%0.335SS..  trans-75.3173.3177.477.28.5000111.9F59 K63 G64 S65F59-D61 HydrophobicContact CE1-CB 3.83Å; F59-D61 HydrophobicContact CZ-CB 4.22Å; D61-K63 PolarHBondContact O-N 2.99Å; D61-K63 VanDerWaalsContact OD1-C 3.3Å; D61-K63 VanDerWaalsContact OD1-CA 3.28Å; D61-K63 WeakPolarHBondContact OD1-CA 3.36Å; D61-K63 WeakPolarHBondContact OD1-CB 3.38Å; D61-K63 PolarHBondContact OD1-N 3.08Å; D61-G64 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact OD1-N 3.44Å; D61-S65 PolarHBondContact N-O 3.08Å; D61-S65 PolarHBondContact OD1-N 3.32Å; D61-S65 WeakPolarHBondContact OD2-CB 3.45Å
62M77.6Confident89.5Confident174 Ų17467 Ų6786%0.85735%0.346SS*.THydrogen-bonded Turntrans-65.2-16.8178.4-63.8-170.5-65.400114G64M62-G64 VanDerWaalsContact C-N 3.32Å
63K84.3Confident90.2Very high193 Ų19361.4 Ų61.484%0.83933%0.326SS*.THydrogen-bonded Turntrans-88.5-3.7175.3-61.7180179.9178.90111.9D61D61-K63 PolarHBondContact O-N 2.99Å; D61-K63 VanDerWaalsContact OD1-C 3.3Å; D61-K63 VanDerWaalsContact OD1-CA 3.28Å; D61-K63 WeakPolarHBondContact OD1-CA 3.36Å; D61-K63 WeakPolarHBondContact OD1-CB 3.38Å; D61-K63 PolarHBondContact OD1-N 3.08Å
64G84.8Confident90.7Very high38 Ų3867.1 Ų67.139%0.39235%0.345SS..  trans84.37.9-17800000114.5D61 M62D61-G64 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact OD1-N 3.44Å; M62-G64 VanDerWaalsContact C-N 3.32Å
65S89.1Confident91.1Very high63 Ų6363.5 Ų63.544%0.44134%0.337SS..  trans-73.6129.8174-168.80000110.1K60 D61K60-S65 WeakPolarHBondContact CA-O 3.34Å; D61-S65 PolarHBondContact N-O 3.08Å; D61-S65 PolarHBondContact OD1-N 3.32Å; D61-S65 WeakPolarHBondContact OD2-CB 3.45Å
66T91.8Very high91.4Very high78 Ų7864.9 Ų64.948%0.47935%0.345SS..EExtended strand (participates in β ladder)trans-105.6128.6-179.2-55.70000110.3K58 F59K58-T66 HydrophobicContact CB-CG2 3.81Å; K58-T66 HydrophobicContact CD-CG2 4.13Å; K58-T66 HydrophobicContact CG-CG2 4.32Å; F59-T66 CarbonylContact O-C 3.59Å; F59-T66 VanDerWaalsContact O-CA 3.29Å; F59-T66 WeakPolarHBondContact O-CA 3.26Å
67T93.8Very high91.3Very high61 Ų6169.7 Ų69.737%0.37438%0.376SS..EExtended strand (participates in β ladder)trans-124.9148.9174.957.10000110.1K58 F59K58-T67 CarbonylContact C-O 3.57Å; K58-T67 VanDerWaalsContact CA-O 3.29Å; K58-T67 WeakPolarHBondContact CA-O 3.38Å; F59-T67 PolarHBondContact N-O 2.88Å; F59-T67 PolarHBondContact O-N 2.85Å
68H94.9Very high91.1Very high66 Ų6674.2 Ų74.231%0.30641%0.406SS..EExtended strand (participates in β ladder)trans-77.1134.3172.4-74.6-91.8000109.9E56 F71 T76E56-H68 IonicContact OE2-CE1 3.28Å; E56-H68 IonicContact OE2-ND1 3.74Å; H68-F71 HydrophobicContact CB-CB 3.98Å; H68-F71 AromaticContact CE1-CD2 3.7Å; H68-F71 AromaticContact CG-CD2 3.98Å; H68-F71 AromaticContact ND1-CD2 3.6Å; H68-T76 HydrophobicContact CB-CG2 3.92Å; H68-T76 PolarHBondContact O-OG1 3.37Å
69V96.3Very high91Very high0 Ų072.6 Ų72.60%040%0.399CS..EExtended strand (participates in β ladder)trans-96.7-45.6170-176.30000109.5W57 F59 P75 T76 Y79 V83 L90 Y103W57-V69 HydrophobicContact CB-CB 4.1Å; W57-V69 PolarHBondContact O-N 2.99Å; F59-V69 HydrophobicContact CB-CG2 3.54Å; V69-P75 VanDerWaalsContact O-CA 3.3Å; V69-P75 WeakPolarHBondContact O-CA 3.44Å; V69-T76 PolarHBondContact O-N 2.71Å; V69-T76 PolarHBondContact O-OG1 2.72Å; V69-Y79 HydrophobicContact CB-CD2 4.24Å; V69-Y79 HydrophobicContact CB-CE2 4.28Å; V69-Y79 HydrophobicContact CG1-CD1 4.04Å; V69-Y79 HydrophobicContact CG1-CD2 3.9Å; V69-Y79 HydrophobicContact CG1-CE1 4.38Å; V69-Y79 HydrophobicContact CG1-CE2 4.24Å; V69-Y79 HydrophobicContact CG1-CG 3.79Å; V69-Y79 HydrophobicContact CG2-CD2 4.36Å; V69-Y79 HydrophobicContact CG2-CE2 3.9Å; V69-V83 HydrophobicContact CG1-CG1 4.17Å; V69-L90 HydrophobicContact CG1-CD1 4.24Å; V69-L90 HydrophobicContact CG1-CD2 3.93Å; V69-Y103 HydrophobicContact CG2-CD1 4.02Å; V69-Y103 HydrophobicContact CG2-CE1 3.84Å
70I95.8Very high90.8Very high0 Ų074.1 Ų74.10%042%0.415CS..EExtended strand (participates in β ladder)trans-119.2124168.6-56.6-62.3000108.1W57 K74 P75 V83 K85 L90W57-I70 HydrophobicContact CB-CB 4.07Å; W57-I70 HydrophobicContact CB-CG1 4.03Å; W57-I70 HydrophobicContact CG-CG1 4.39Å; W57-I70 PolarHBondContact N-O 2.97Å; W57-I70 PolarHBondContact O-N 2.94Å; W57-I70 VanDerWaalsContact O-N 3.13Å; I70-K74 WeakPolarHBondContact CA-O 3.49Å; I70-P75 HydrophobicContact CD1-CB 3.79Å; I70-P75 HydrophobicContact CD1-CG 3.83Å; I70-V83 HydrophobicContact CD1-CG1 4.13Å; I70-K85 HydrophobicContact CD1-CB 4.21Å; I70-K85 HydrophobicContact CG1-CB 4.38Å; I70-K85 HydrophobicContact CG2-CD 3.96Å; I70-L90 HydrophobicContact CD1-CD1 3.74Å; I70-L90 HydrophobicContact CG1-CD1 3.4Å; I70-L90 VanDerWaalsContact CG1-CD1 3.4Å
71F92.2Very high90.9Very high107 Ų10778.5 Ų78.547%0.46944%0.441SS..EExtended strand (participates in β ladder)trans-132.6136174.8-174-109000109.3H68 G73 K74 T76H68-F71 HydrophobicContact CB-CB 3.98Å; H68-F71 AromaticContact CE1-CD2 3.7Å; H68-F71 AromaticContact CG-CD2 3.98Å; H68-F71 AromaticContact ND1-CD2 3.6Å; F71-G73 PolarHBondContact O-N 3.45Å; F71-G73 VanDerWaalsContact O-N 3.16Å; F71-K74 PolarHBondContact N-O 2.86Å; F71-K74 PolarHBondContact O-N 2.82Å; F71-T76 HydrophobicContact CB-CG2 3.74Å
72D88.7Confident91.3Very high97 Ų9778.4 Ų78.452%0.51944%0.437SS..THydrogen-bonded Turntrans50.140.8-176.8-16231.9000113.5R54 K74R54-D72 IonicContact CZ-OD1 3.85Å; R54-D72 IonicContact NH1-OD1 3.21Å; R54-D72 PolarHBondContact NH1-OD1 3.14Å; R54-D72 IonicContact NH2-OD1 3.56Å; D72-K74 PolarHBondContact O-N 3.1Å
73G87.8Confident92.3Very high42 Ų4270.3 Ų70.343%0.43340%0.397SS..THydrogen-bonded Turntrans74.7-1.2178.900000115.8F71F71-G73 PolarHBondContact O-N 3.45Å; F71-G73 VanDerWaalsContact O-N 3.16Å
74K92.8Very high92.8Very high153 Ų15364.2 Ų64.267%0.66538%0.376SS*.EExtended strand (participates in β ladder)trans-118.7150-178.2-65.3178.7-176.5173.20112I70 F71 D72I70-K74 WeakPolarHBondContact CA-O 3.49Å; F71-K74 PolarHBondContact N-O 2.86Å; F71-K74 PolarHBondContact O-N 2.82Å; D72-K74 PolarHBondContact O-N 3.1Å
75P95.8Very high93.3Very high44 Ų4465.5 Ų65.529%0.28637%0.371SS..EExtended strand (participates in β ladder)trans-68137.3172.1-8.622.7000111.2V69 I70 V83V69-P75 VanDerWaalsContact O-CA 3.3Å; V69-P75 WeakPolarHBondContact O-CA 3.44Å; I70-P75 HydrophobicContact CD1-CB 3.79Å; I70-P75 HydrophobicContact CD1-CG 3.83Å; P75-V83 VanDerWaalsContact CG-O 3.25Å; P75-V83 WeakPolarHBondContact CG-O 2.96Å
76T95.5Very high93.3Very high33 Ų3367.5 Ų67.520%0.20237%0.372CS..PPolyproline II helixtrans-81164.1175.260.50000110.5H68 V69 F71 Y79 A80H68-T76 HydrophobicContact CB-CG2 3.92Å; H68-T76 PolarHBondContact O-OG1 3.37Å; V69-T76 PolarHBondContact O-N 2.71Å; V69-T76 PolarHBondContact O-OG1 2.72Å; F71-T76 HydrophobicContact CB-CG2 3.74Å; T76-Y79 CarbonylContact O-C 3.53Å; T76-Y79 WeakPolarHBondContact O-CA 3.39Å; T76-Y79 WeakPolarHBondContact O-CB 3.36Å; T76-Y79 PolarHBondContact O-N 3.33Å; T76-A80 PolarHBondContact O-N 3.43Å
77T91.7Very high93Very high125 Ų12570.9 Ų70.977%0.76739%0.387SS*.THydrogen-bonded Turntrans-7312816450.40000108.8
78P90.4Very high92.8Very high95 Ų9568 Ų6862%0.61737%0.37SS*.THydrogen-bonded Turncis-102.321.92140-38.6000116.2R82P78-R82 PolarHBondContact O-NE 2.84Å
79Y94.6Very high92.7Very high13 Ų1366 Ų665%0.05136%0.361CS..THydrogen-bonded Turntrans-97-14.9-174.4-56.9-77.9000114.4V69 T76 D81 R82 V83 F92V69-Y79 HydrophobicContact CB-CD2 4.24Å; V69-Y79 HydrophobicContact CB-CE2 4.28Å; V69-Y79 HydrophobicContact CG1-CD1 4.04Å; V69-Y79 HydrophobicContact CG1-CD2 3.9Å; V69-Y79 HydrophobicContact CG1-CE1 4.38Å; V69-Y79 HydrophobicContact CG1-CE2 4.24Å; V69-Y79 HydrophobicContact CG1-CG 3.79Å; V69-Y79 HydrophobicContact CG2-CD2 4.36Å; V69-Y79 HydrophobicContact CG2-CE2 3.9Å; T76-Y79 CarbonylContact O-C 3.53Å; T76-Y79 WeakPolarHBondContact O-CA 3.39Å; T76-Y79 WeakPolarHBondContact O-CB 3.36Å; T76-Y79 PolarHBondContact O-N 3.33Å; Y79-D81 VanDerWaalsContact C-N 3.27Å; Y79-D81 PolarHBondContact O-N 2.74Å; Y79-R82 VanDerWaalsContact CD1-NH2 3.27Å; Y79-R82 VanDerWaalsContact CE1-NH2 3.29Å; Y79-R82 PolarHBondContact O-N 2.83Å; Y79-V83 HydrophobicContact CD1-CG2 3.93Å; Y79-V83 HydrophobicContact CG-CG2 4.27Å; Y79-V83 WeakPolarHBondContact O-CB 3.45Å; Y79-V83 PolarHBondContact O-N 2.86Å; Y79-F92 HydrophobicContact CD1-CE1 4.08Å; Y79-F92 HydrophobicContact CE1-CE1 4.23Å
80A92.2Very high92.8Very high50 Ų5066 Ų6641%0.41336%0.361SS..THydrogen-bonded Turntrans-40.1-46-176.700000115.5T76T76-A80 PolarHBondContact O-N 3.43Å
81D93.4Very high92.9Very high165 Ų16570.5 Ų70.588%0.88238%0.378SS*.THydrogen-bonded Turntrans-87.8-8.4-172-55.4-41.4000114.3Y79Y79-D81 VanDerWaalsContact C-N 3.27Å; Y79-D81 PolarHBondContact O-N 2.74Å
82R94.8Very high93.1Very high50 Ų5065.5 Ų65.519%0.18936%0.356CS..THydrogen-bonded Turntrans-137.8-1.6-166.870.1-165.8-179.391.6-0.1115.1P78 Y79 F92 S93 D99P78-R82 PolarHBondContact O-NE 2.84Å; Y79-R82 VanDerWaalsContact CD1-NH2 3.27Å; Y79-R82 VanDerWaalsContact CE1-NH2 3.29Å; Y79-R82 PolarHBondContact O-N 2.83Å; R82-F92 CarbonylContact O-C 3.55Å; R82-F92 WeakPolarHBondContact O-CA 3.27Å; R82-S93 WeakPolarHBondContact CA-OG 3.38Å; R82-S93 PolarHBondContact O-N 2.81Å; R82-S93 PolarHBondContact O-OG 2.96Å; R82-D99 IonicContact CZ-OD1 2.72Å; R82-D99 VanDerWaalsContact CZ-OD1 3.28Å; R82-D99 IonicContact CZ-OD2 3.88Å; R82-D99 IonicContact NH1-OD1 2.69Å; R82-D99 PolarHBondContact NH1-OD1 2.83Å; R82-D99 IonicContact NH1-OD2 3.72Å; R82-D99 PolarHBondContact NH1-OD2 2.81Å; R82-D99 IonicContact NH2-OD1 3.63Å; R82-D99 PolarHBondContact NH2-OD1 2.99Å; R82-D99 IonicContact NH2-OD2 2.98Å
83V97Very high93.5Very high4 Ų464.2 Ų64.22%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-124.4136.4179.9176.20000110.4V69 I70 P75 Y79 L90 R91 F92V69-V83 HydrophobicContact CG1-CG1 4.17Å; I70-V83 HydrophobicContact CD1-CG1 4.13Å; P75-V83 VanDerWaalsContact CG-O 3.25Å; P75-V83 WeakPolarHBondContact CG-O 2.96Å; Y79-V83 HydrophobicContact CD1-CG2 3.93Å; Y79-V83 HydrophobicContact CG-CG2 4.27Å; Y79-V83 WeakPolarHBondContact O-CB 3.45Å; Y79-V83 PolarHBondContact O-N 2.86Å; V83-L90 HydrophobicContact CG1-CD1 3.27Å; V83-L90 HydrophobicContact CG1-CD2 4.5Å; V83-L90 HydrophobicContact CG1-CG 3.84Å; V83-R91 CarbonylContact C-O 3.6Å; V83-R91 VanDerWaalsContact CA-O 3.31Å; V83-R91 WeakPolarHBondContact CA-O 3.25Å; V83-F92 HydrophobicContact CG2-CD1 3.52Å; V83-F92 HydrophobicContact CG2-CE1 3.47Å; V83-F92 VanDerWaalsContact CG2-CE1 3.47Å; V83-F92 HydrophobicContact CG2-CG 4.1Å; V83-F92 HydrophobicContact CG2-CZ 4.02Å
84T95.7Very high93.9Very high64 Ų6468.2 Ų68.239%0.39336%0.36SS..EExtended strand (participates in β ladder)trans-130.3146.2177.247.30000110F86 R91T84-F86 VanDerWaalsContact OG1-CE2 3.23Å; T84-F86 WeakPolarHBondContact OG1-CE2 3.26Å; T84-R91 PolarHBondContact N-O 2.91Å; T84-R91 PolarHBondContact O-N 2.92Å; T84-R91 PolarHBondContact OG1-O 2.97Å
85K94.1Very high94.1Very high65 Ų6561 Ų6128%0.28333%0.328SS..EExtended strand (participates in β ladder)trans-110.2133.3177177.6-172.6162.4-171.30109.7V55 I70 M89V55-K85 PolarHBondContact O-NZ 3.38Å; I70-K85 HydrophobicContact CD1-CB 4.21Å; I70-K85 HydrophobicContact CG1-CB 4.38Å; I70-K85 HydrophobicContact CG2-CD 3.96Å; K85-M89 CarbonylContact C-O 3.47Å; K85-M89 WeakPolarHBondContact CA-O 3Å
86F90.6Very high94Very high105 Ų10561 Ų6146%0.46133%0.328SS..EExtended strand (participates in β ladder)trans-134.3108.6175-58.2-82.8000110.4T84 G88 M89 R91T84-F86 VanDerWaalsContact OG1-CE2 3.23Å; T84-F86 WeakPolarHBondContact OG1-CE2 3.26Å; F86-G88 PolarHBondContact O-N 2.91Å; F86-M89 HydrophobicContact CB-CE 4.05Å; F86-M89 HydrophobicContact CD2-CE 3.6Å; F86-M89 HydrophobicContact CE2-CE 4.46Å; F86-M89 HydrophobicContact CG-CE 4.17Å; F86-M89 PolarHBondContact N-O 2.81Å; F86-M89 WeakPolarHBondContact O-CB 3.37Å; F86-M89 PolarHBondContact O-N 2.85Å; F86-R91 HydrophobicContact CD2-CB 4.4Å; F86-R91 HydrophobicContact CE2-CB 4.24Å
87D84.8Confident93.8Very high150 Ų15064 Ų6480%0.80234%0.335SS*.THydrogen-bonded Turntrans52.716.2173.7-15932.8000116.5H45H45-D87 PolarHBondContact CE1-O 3.47Å
88G89.1Confident93.7Very high0 Ų066.7 Ų66.70%034%0.336CS..THydrogen-bonded Turntrans122.5-30.4-175.300000113.1C43 W57 F86C43-G88 WeakPolarHBondContact CB-O 3.37Å; W57-G88 WeakPolarHBondContact CZ2-O 3.47Å; W57-G88 PolarHBondContact NE1-O 2.87Å; F86-G88 PolarHBondContact O-N 2.91Å
89M94.4Very high93.9Very high24 Ų2462.2 Ų62.212%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-65.8138.5172.9-174.7-176.470.200111.3D40 L41 Y42 K85 F86 R91D40-M89 HydrophobicContact CB-SD 4.06Å; L41-M89 WeakPolarHBondContact O-CA 3.28Å; L41-M89 WeakPolarHBondContact O-CG 3.29Å; Y42-M89 HydrophobicContact CD1-CB 4.37Å; Y42-M89 HydrophobicContact CD1-CG 4Å; Y42-M89 HydrophobicContact CD1-SD 3.92Å; Y42-M89 HydrophobicContact CE1-CG 4.1Å; Y42-M89 HydrophobicContact CE1-SD 3.38Å; Y42-M89 WeakPolarHBondContact CE1-SD 3.37Å; K85-M89 CarbonylContact C-O 3.47Å; K85-M89 WeakPolarHBondContact CA-O 3Å; F86-M89 HydrophobicContact CB-CE 4.05Å; F86-M89 HydrophobicContact CD2-CE 3.6Å; F86-M89 HydrophobicContact CE2-CE 4.46Å; F86-M89 HydrophobicContact CG-CE 4.17Å; F86-M89 PolarHBondContact N-O 2.81Å; F86-M89 WeakPolarHBondContact O-CB 3.37Å; F86-M89 PolarHBondContact O-N 2.85Å; M89-R91 HydrophobicContact CE-CB 4.28Å
90L97.1Very high93.8Very high0 Ų063.6 Ų63.60%032%0.316CS..EExtended strand (participates in β ladder)trans-107.7121170.4-170.573.8000109.4L41 W57 V69 I70 V83 F92 Y103L41-L90 HydrophobicContact CB-CB 4.28Å; L41-L90 HydrophobicContact CD2-CD2 4.46Å; L41-L90 PolarHBondContact N-O 2.02Å; L41-L90 PolarHBondContact O-N 2.78Å; W57-L90 HydrophobicContact CB-CD1 4.37Å; W57-L90 HydrophobicContact CB-CD2 4.18Å; W57-L90 HydrophobicContact CD2-CB 3.91Å; W57-L90 HydrophobicContact CD2-CD2 3.9Å; W57-L90 HydrophobicContact CD2-CG 4.38Å; W57-L90 HydrophobicContact CE3-CD2 4.08Å; W57-L90 HydrophobicContact CG-CB 4.18Å; W57-L90 HydrophobicContact CG-CD1 4.08Å; W57-L90 HydrophobicContact CG-CD2 3.97Å; W57-L90 HydrophobicContact CG-CG 4.33Å; W57-L90 HydrophobicContact CZ2-CB 3.89Å; V69-L90 HydrophobicContact CG1-CD1 4.24Å; V69-L90 HydrophobicContact CG1-CD2 3.93Å; I70-L90 HydrophobicContact CD1-CD1 3.74Å; I70-L90 HydrophobicContact CG1-CD1 3.4Å; I70-L90 VanDerWaalsContact CG1-CD1 3.4Å; V83-L90 HydrophobicContact CG1-CD1 3.27Å; V83-L90 HydrophobicContact CG1-CD2 4.5Å; V83-L90 HydrophobicContact CG1-CG 3.84Å; L90-F92 HydrophobicContact CD2-CE2 3.81Å; L90-F92 HydrophobicContact CD2-CZ 4.32Å; L90-F92 HydrophobicContact CG-CE2 4.31Å; L90-Y103 HydrophobicContact CD2-CD1 4.18Å
91R97.4Very high93.8Very high95 Ų9561.7 Ų61.736%0.35830%0.301SS..EExtended strand (participates in β ladder)trans-114.4120.9-179.6170.8166.2-68163.20.1111D40 V83 T84 F86 M89D40-R91 WeakPolarHBondContact OD1-CB 3.27Å; D40-R91 WeakPolarHBondContact OD1-CG 3.42Å; D40-R91 IonicContact OD1-CZ 3.5Å; D40-R91 IonicContact OD1-NE 2.71Å; D40-R91 PolarHBondContact OD1-NE 2.97Å; D40-R91 IonicContact OD1-NH2 3.45Å; D40-R91 IonicContact OD2-CZ 2.68Å; D40-R91 IonicContact OD2-NE 3.58Å; D40-R91 PolarHBondContact OD2-NE 2.85Å; D40-R91 IonicContact OD2-NH2 3.88Å; D40-R91 PolarHBondContact OD2-NH2 2.9Å; V83-R91 CarbonylContact C-O 3.6Å; V83-R91 VanDerWaalsContact CA-O 3.31Å; V83-R91 WeakPolarHBondContact CA-O 3.25Å; T84-R91 PolarHBondContact N-O 2.91Å; T84-R91 PolarHBondContact O-N 2.92Å; T84-R91 PolarHBondContact OG1-O 2.97Å; F86-R91 HydrophobicContact CD2-CB 4.4Å; F86-R91 HydrophobicContact CE2-CB 4.24Å; M89-R91 HydrophobicContact CE-CB 4.28Å
92F98.1Very high94Very high1 Ų156.6 Ų56.60%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-86.5127.7165.3-71.4-98.1000109.3G38 A39 L41 Y79 R82 V83 L90 V95 D99 Y103 L120G38-F92 WeakPolarHBondContact CA-O 3.23Å; A39-F92 HydrophobicContact CB-CB 4.38Å; A39-F92 PolarHBondContact N-O 3.01Å; A39-F92 VanDerWaalsContact N-O 3.1Å; A39-F92 PolarHBondContact O-N 2.82Å; L41-F92 HydrophobicContact CD1-CD2 4Å; L41-F92 HydrophobicContact CD1-CE2 4.05Å; Y79-F92 HydrophobicContact CD1-CE1 4.08Å; Y79-F92 HydrophobicContact CE1-CE1 4.23Å; R82-F92 CarbonylContact O-C 3.55Å; R82-F92 WeakPolarHBondContact O-CA 3.27Å; V83-F92 HydrophobicContact CG2-CD1 3.52Å; V83-F92 HydrophobicContact CG2-CE1 3.47Å; V83-F92 VanDerWaalsContact CG2-CE1 3.47Å; V83-F92 HydrophobicContact CG2-CG 4.1Å; V83-F92 HydrophobicContact CG2-CZ 4.02Å; L90-F92 HydrophobicContact CD2-CE2 3.81Å; L90-F92 HydrophobicContact CD2-CZ 4.32Å; L90-F92 HydrophobicContact CG-CE2 4.31Å; F92-V95 HydrophobicContact CB-CG1 3.66Å; F92-V95 HydrophobicContact CD1-CG1 4.23Å; F92-V95 HydrophobicContact CD2-CG1 4.5Å; F92-V95 HydrophobicContact CG-CG1 3.9Å; F92-D99 HydrophobicContact CE1-CB 4.36Å; F92-Y103 HydrophobicContact CE2-CE1 4.13Å; F92-Y103 AromaticContact CZ-CE1 3.68Å; F92-Y103 HydrophobicContact CZ-CE1 3.68Å; F92-Y103 AromaticContact CZ-CZ 3.79Å; F92-L120 HydrophobicContact CE2-CD2 4.27Å
93S97Very high94.1Very high71 Ų7154.2 Ų54.250%0.49726%0.263SS..SBendtrans-71.5-37.4170.363.20000111.4R82R82-S93 WeakPolarHBondContact CA-OG 3.38Å; R82-S93 PolarHBondContact O-N 2.81Å; R82-S93 PolarHBondContact O-OG 2.96Å
94K96.1Very high94Very high126 Ų12655.9 Ų55.955%0.54827%0.269SS..SBendtrans-146.3124.8174.3-63.8-174.9-178.5176.10110.3E37E37-K94 CarbonylContact O-C 3.58Å; E37-K94 VanDerWaalsContact O-CA 3.32Å; E37-K94 WeakPolarHBondContact O-CA 3.47Å
95V96.1Very high94Very high0 Ų052.9 Ų52.90%025%0.25CS..  trans-89.1147172.1-59.30000111.4A33 K34 N36 E37 A39 F92 L120 V122A33-V95 HydrophobicContact CB-CG2 3.93Å; K34-V95 VanDerWaalsContact O-CG2 3.23Å; K34-V95 WeakPolarHBondContact O-CG2 3.35Å; N36-V95 PolarHBondContact N-O 2.97Å; E37-V95 WeakPolarHBondContact O-CG2 3.43Å; E37-V95 PolarHBondContact O-N 2.84Å; A39-V95 HydrophobicContact CB-CG1 3.54Å; F92-V95 HydrophobicContact CB-CG1 3.66Å; F92-V95 HydrophobicContact CD1-CG1 4.23Å; F92-V95 HydrophobicContact CD2-CG1 4.5Å; F92-V95 HydrophobicContact CG-CG1 3.9Å; V95-L120 HydrophobicContact CG1-CD2 4.14Å; V95-V122 HydrophobicContact CB-CG2 4.03Å; V95-V122 HydrophobicContact CG2-CG1 3.93Å; V95-V122 HydrophobicContact CG2-CG2 4.04Å
96T94.1Very high93.8Very high45 Ų4549.9 Ų49.928%0.27624%0.238SC..  trans-122.7163.1175.468.40000109.2K98 D99T96-K98 PolarHBondContact O-N 2.96Å; T96-D99 PolarHBondContact N-OD2 2.98Å; T96-D99 WeakPolarHBondContact O-CB 3.18Å; T96-D99 PolarHBondContact O-N 3.43Å; T96-D99 PolarHBondContact OG1-OD2 2.97Å
97R90.8Very high93.8Very high95 Ų9544.9 Ų44.936%0.35822%0.216SC..G310 helixtrans-49.8-30.2174.6-74.3159-171-141.715.8114.9E35 D99 N100 V124 Q151E35-R97 WeakPolarHBondContact OE1-CD 3.44Å; E35-R97 VanDerWaalsContact OE1-CG 3.26Å; E35-R97 WeakPolarHBondContact OE1-CG 3.43Å; E35-R97 PolarHBondContact OE1-N 3.4Å; E35-R97 IonicContact OE1-NE 3.98Å; E35-R97 PolarHBondContact OE1-NE 2.98Å; E35-R97 IonicContact OE2-CZ 3.58Å; E35-R97 IonicContact OE2-NE 2.72Å; E35-R97 PolarHBondContact OE2-NE 3.49Å; E35-R97 IonicContact OE2-NH2 3.37Å; R97-D99 PolarHBondContact O-N 3.1Å; R97-N100 WeakPolarHBondContact O-CB 3.36Å; R97-N100 PolarHBondContact O-N 2.74Å; R97-V124 HydrophobicContact CG-CG2 3.58Å; R97-V124 VanDerWaalsContact CZ-CG1 3.46Å; R97-Q151 PolarHBondContact NH1-O 2.92Å
98K91Very high93.6Very high182 Ų18239.4 Ų39.479%0.79119%0.189SC*.G310 helixtrans-70.9-19.3-179.5-65-178.5-179.7176.90113.2T96 N100T96-K98 PolarHBondContact O-N 2.96Å; K98-N100 VanDerWaalsContact C-N 3.26Å
99D93.4Very high92.7Very high1 Ų140.7 Ų40.71%0.00520%0.203CC..G310 helixtrans-82.9-5.8-179.8-57.2-52.9000112.6R82 F92 T96 R97 G101 Y103 L120 V122R82-D99 IonicContact CZ-OD1 2.72Å; R82-D99 VanDerWaalsContact CZ-OD1 3.28Å; R82-D99 IonicContact CZ-OD2 3.88Å; R82-D99 IonicContact NH1-OD1 2.69Å; R82-D99 PolarHBondContact NH1-OD1 2.83Å; R82-D99 IonicContact NH1-OD2 3.72Å; R82-D99 PolarHBondContact NH1-OD2 2.81Å; R82-D99 IonicContact NH2-OD1 3.63Å; R82-D99 PolarHBondContact NH2-OD1 2.99Å; R82-D99 IonicContact NH2-OD2 2.98Å; F92-D99 HydrophobicContact CE1-CB 4.36Å; T96-D99 PolarHBondContact N-OD2 2.98Å; T96-D99 WeakPolarHBondContact O-CB 3.18Å; T96-D99 PolarHBondContact O-N 3.43Å; T96-D99 PolarHBondContact OG1-OD2 2.97Å; R97-D99 PolarHBondContact O-N 3.1Å; D99-G101 PolarHBondContact O-N 2.98Å; D99-Y103 WeakPolarHBondContact CA-OH 3.4Å; D99-Y103 WeakPolarHBondContact CB-OH 3.37Å; D99-Y103 VanDerWaalsContact O-CE2 3.23Å; D99-Y103 WeakPolarHBondContact O-CE2 3.48Å; D99-Y103 PolarHBondContact O-OH 2.91Å; D99-L120 HydrophobicContact CB-CD2 4.22Å; D99-V122 HydrophobicContact CB-CG2 4.36Å
100N92.3Very high91Very high43 Ų4344.9 Ų44.923%0.2323%0.234CC..  trans-67.6116.8179-174.892.4000111R97 K98 L120 T121 V122R97-N100 WeakPolarHBondContact O-CB 3.36Å; R97-N100 PolarHBondContact O-N 2.74Å; K98-N100 VanDerWaalsContact C-N 3.26Å; N100-L120 WeakPolarHBondContact CA-O 3.23Å; N100-T121 VanDerWaalsContact OD1-CA 3.3Å; N100-T121 WeakPolarHBondContact OD1-CA 3.4Å; N100-V122 HydrophobicContact CB-CB 4.31Å; N100-V122 HydrophobicContact CB-CG2 4.29Å; N100-V122 PolarHBondContact OD1-N 3.12Å
101G93.4Very high88.8Confident10 Ų1050.9 Ų50.910%0.10326%0.262CS..EExtended strand (participates in β ladder)trans163.4-160.5178.800000113.8D99 L120D99-G101 PolarHBondContact O-N 2.98Å; G101-L120 PolarHBondContact N-O 2.76Å; G101-L120 PolarHBondContact O-N 3.36Å
102E96.3Very high86.9Confident58 Ų5848.9 Ų48.927%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-101.3129.3-177.5-61.4-170.613600110.3K60 Y104 K117K60-E102 PolarHBondContact N-O 2.77Å; K60-E102 PolarHBondContact O-N 3.03Å; E102-Y104 HydrophobicContact CB-CE2 3.79Å; E102-Y104 PolarHBondContact OE2-OH 3.28Å; E102-K117 HydrophobicContact CB-CD 4.37Å; E102-K117 HydrophobicContact CB-CG 4.45Å; E102-K117 HydrophobicContact CG-CD 4.33Å; E102-K117 WeakPolarHBondContact OE1-CD 3.48Å; E102-K117 IonicContact OE1-NZ 3Å; E102-K117 PolarHBondContact OE1-NZ 3.39Å
103Y97.1Very high85.8Confident0 Ų054.3 Ų54.30%028%0.283CS..EExtended strand (participates in β ladder)trans-111.7141176.4-68.4-100.8000109.4L41 K58 F59 V69 L90 F92 D99 K117 V118 L120L41-Y103 HydrophobicContact CD2-CD1 4.11Å; L41-Y103 HydrophobicContact CD2-CD2 3.79Å; L41-Y103 HydrophobicContact CD2-CG 3.56Å; K58-Y103 CarbonylContact O-C 3.59Å; K58-Y103 VanDerWaalsContact O-CA 3.27Å; K58-Y103 WeakPolarHBondContact O-CA 3.39Å; F59-Y103 HydrophobicContact CB-CD1 4.17Å; F59-Y103 HydrophobicContact CB-CE1 3.95Å; F59-Y103 HydrophobicContact CD2-CD1 4.21Å; F59-Y103 HydrophobicContact CD2-CD2 4.11Å; F59-Y103 AromaticContact CD2-CE1 3.74Å; F59-Y103 HydrophobicContact CD2-CE1 3.74Å; F59-Y103 AromaticContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CG 4.38Å; F59-Y103 AromaticContact CD2-CZ 3.4Å; F59-Y103 VanDerWaalsContact CD2-CZ 3.4Å; F59-Y103 AromaticContact CE2-CE2 3.9Å; F59-Y103 HydrophobicContact CE2-CE2 3.9Å; F59-Y103 AromaticContact CE2-CZ 3.92Å; F59-Y103 HydrophobicContact CG-CE1 4.21Å; V69-Y103 HydrophobicContact CG2-CD1 4.02Å; V69-Y103 HydrophobicContact CG2-CE1 3.84Å; L90-Y103 HydrophobicContact CD2-CD1 4.18Å; F92-Y103 HydrophobicContact CE2-CE1 4.13Å; F92-Y103 AromaticContact CZ-CE1 3.68Å; F92-Y103 HydrophobicContact CZ-CE1 3.68Å; F92-Y103 AromaticContact CZ-CZ 3.79Å; D99-Y103 WeakPolarHBondContact CA-OH 3.4Å; D99-Y103 WeakPolarHBondContact CB-OH 3.37Å; D99-Y103 VanDerWaalsContact O-CE2 3.23Å; D99-Y103 WeakPolarHBondContact O-CE2 3.48Å; D99-Y103 PolarHBondContact O-OH 2.91Å; Y103-K117 CarbonylContact O-C 3.5Å; Y103-K117 WeakPolarHBondContact O-CA 3.28Å; Y103-V118 PolarHBondContact N-O 3.01Å; Y103-V118 PolarHBondContact O-N 2.68Å; Y103-L120 HydrophobicContact CD2-CB 3.93Å; Y103-L120 HydrophobicContact CE2-CB 3.71Å; Y103-L120 HydrophobicContact CE2-CD2 3.92Å; Y103-L120 HydrophobicContact CE2-CG 4.43Å
104Y95.5Very high85.2Confident39 Ų3951.4 Ų51.415%0.15326%0.264CS..EExtended strand (participates in β ladder)trans-122.8118.5-177.7-66.2-98000108.2W57 K58 K60 E102 E115 V116 K117W57-Y104 CarbonylContact C-O 3.59Å; W57-Y104 WeakPolarHBondContact CA-O 3.2Å; K58-Y104 PolarHBondContact N-O 2.86Å; K58-Y104 PolarHBondContact O-N 2.68Å; K60-Y104 HydrophobicContact CB-CD2 4.21Å; K60-Y104 HydrophobicContact CB-CE2 3.68Å; K60-Y104 HydrophobicContact CD-CE2 3.95Å; K60-Y104 HydrophobicContact CG-CE2 4.49Å; E102-Y104 HydrophobicContact CB-CE2 3.79Å; E102-Y104 PolarHBondContact OE2-OH 3.28Å; Y104-E115 HydrophobicContact CD1-CG 4.03Å; Y104-V116 WeakPolarHBondContact CA-O 3.25Å; Y104-K117 HydrophobicContact CD1-CB 4.12Å; Y104-K117 HydrophobicContact CD1-CG 4.28Å; Y104-K117 HydrophobicContact CE1-CB 3.9Å; Y104-K117 HydrophobicContact CE1-CD 3.92Å; Y104-K117 HydrophobicContact CE1-CG 3.83Å; Y104-K117 HydrophobicContact CE2-CG 4.42Å
105C94.6Very high84.9Confident0 Ų049.6 Ų49.60%026%0.257CS..EExtended strand (participates in β ladder)trans-88.7108.6169.4178.90000107.7C43 V55 W57 E115 V116C43-C105 HydrophobicContact CB-CB 3.5Å; C43-C105 WeakPolarHBondContact CB-SG 3.42Å; C43-C105 WeakPolarHBondContact SG-CB 3.36Å; C43-C105 CovalentContact SG-SG 2.02Å; C43-C105 PolarHBondContact SG-SG 2.79Å; V55-C105 WeakPolarHBondContact CG1-SG 3.48Å; W57-C105 HydrophobicContact CD2-CB 4.02Å; W57-C105 HydrophobicContact CE3-CB 4.04Å; W57-C105 HydrophobicContact CH2-CB 3.73Å; W57-C105 HydrophobicContact CZ2-CB 3.68Å; W57-C105 HydrophobicContact CZ3-CB 3.9Å; C105-E115 VanDerWaalsContact O-CA 3.27Å; C105-E115 WeakPolarHBondContact O-CA 3.5Å; C105-V116 HydrophobicContact CB-CG1 3.9Å; C105-V116 PolarHBondContact N-O 3.36Å; C105-V116 PolarHBondContact O-N 2.85Å
106A91.4Very high84.8Confident2 Ų250.7 Ų50.72%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-100.6127.6177.200000109V55 E56 F113V55-A106 WeakPolarHBondContact CA-O 3.21Å; E56-A106 PolarHBondContact N-O 2.83Å; E56-A106 PolarHBondContact O-N 2.89Å; A106-F113 HydrophobicContact CB-CE2 3.58Å; A106-F113 HydrophobicContact CB-CZ 3.74Å
107V89.3Confident84.9Confident0 Ų053.2 Ų53.20%027%0.271CS..EExtended strand (participates in β ladder)trans-117.7114.5176.6-171.70000108F22 V24 H45 A53 R54 V55 G114F22-V107 HydrophobicContact CD1-CG1 3.94Å; F22-V107 HydrophobicContact CE1-CG1 4.36Å; F22-V107 HydrophobicContact CG-CG1 4.49Å; V24-V107 HydrophobicContact CB-CG2 4.39Å; V24-V107 HydrophobicContact CG1-CG2 3.88Å; V24-V107 HydrophobicContact CG2-CB 3.6Å; V24-V107 HydrophobicContact CG2-CG2 3.53Å; H45-V107 HydrophobicContact CB-CG1 4.17Å; H45-V107 HydrophobicContact CB-CG2 3.93Å; A53-V107 HydrophobicContact CB-CG1 3.73Å; R54-V107 WeakPolarHBondContact O-CA 3.32Å; V55-V107 HydrophobicContact CG1-CG2 4.3Å; V55-V107 HydrophobicContact CG2-CG1 4.27Å; V55-V107 HydrophobicContact CG2-CG2 4.04Å; V107-G114 PolarHBondContact N-O 3.16Å; V107-G114 PolarHBondContact O-N 2.8Å
108S81.8Confident85.3Confident35 Ų3548.7 Ų48.725%0.24525%0.254CS..EExtended strand (participates in β ladder)trans-113.6140.1178.956.10000111.4R54R54-S108 WeakPolarHBondContact CB-O 3.4Å; R54-S108 PolarHBondContact N-O 2.78Å; R54-S108 PolarHBondContact O-N 3.34Å
109G69.6Low85.5Confident27 Ų2744.9 Ų44.928%0.27824%0.237SC..  trans-119.8-162.2163.500000111.3Q111 N112G109-Q111 VanDerWaalsContact C-N 3.28Å; G109-Q111 PolarHBondContact O-N 3.19Å; G109-N112 PolarHBondContact N-O 2.85Å; G109-N112 VanDerWaalsContact N-O 3.08Å
110S59Low85.6Confident112 Ų11244.8 Ų44.878%0.78324%0.237SC*.SBendtrans-66.8-22.9-177.150.30000114.5
111Q50.7Low85.8Confident127 Ų12743.4 Ų43.459%0.59323%0.23SC*.SBendtrans-141.2-8.4-174.8-65-169.798.400115.7G109G109-Q111 VanDerWaalsContact C-N 3.28Å; G109-Q111 PolarHBondContact O-N 3.19Å
112N56.4Low85.9Confident52 Ų5243 Ų4328%0.27823%0.225SC..  trans-138.4152.4-176.8-78.9-44.7000113.2C20 F22 G109C20-N112 PolarHBondContact N-ND2 3.01Å; C20-N112 VanDerWaalsContact O-CB 3.25Å; C20-N112 WeakPolarHBondContact O-CB 3.48Å; C20-N112 PolarHBondContact O-ND2 3.15Å; F22-N112 HydrophobicContact CD2-CB 3.98Å; G109-N112 PolarHBondContact N-O 2.85Å; G109-N112 VanDerWaalsContact N-O 3.08Å
113F75.3Confident85.9Confident116 Ų11641.1 Ų41.151%0.50922%0.217SC..EExtended strand (participates in β ladder)trans-129.5123.7-177.1177.5-94.6000110A106 E115A106-F113 HydrophobicContact CB-CE2 3.58Å; A106-F113 HydrophobicContact CB-CZ 3.74Å; F113-E115 HydrophobicContact CD1-CB 4.46Å; F113-E115 HydrophobicContact CE1-CB 3.58Å; F113-E115 HydrophobicContact CE1-CG 4.4Å; F113-E115 HydrophobicContact CZ-CB 3.88Å; F113-E115 HydrophobicContact CZ-CG 4.32Å
114G84.6Confident85.7Confident10 Ų1041.3 Ų41.310%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-115.7144.4168.400000110.4V107V107-G114 PolarHBondContact N-O 3.16Å; V107-G114 PolarHBondContact O-N 2.8Å
115E90.8Very high85.6Confident87 Ų8743.1 Ų43.141%0.40724%0.235SC..EExtended strand (participates in β ladder)trans-141139.1179-172.4176.7-108.500111.1Y104 C105 F113Y104-E115 HydrophobicContact CD1-CG 4.03Å; C105-E115 VanDerWaalsContact O-CA 3.27Å; C105-E115 WeakPolarHBondContact O-CA 3.5Å; F113-E115 HydrophobicContact CD1-CB 4.46Å; F113-E115 HydrophobicContact CE1-CB 3.58Å; F113-E115 HydrophobicContact CE1-CG 4.4Å; F113-E115 HydrophobicContact CZ-CB 3.88Å; F113-E115 HydrophobicContact CZ-CG 4.32Å
116V94.3Very high85.6Confident24 Ų2443.5 Ų43.515%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-128.9144.7172.271.90000110.8V24 T26 Y104 C105V24-V116 HydrophobicContact CG1-CB 4.02Å; V24-V116 HydrophobicContact CG1-CG1 3.67Å; T26-V116 HydrophobicContact CG2-CG2 3.53Å; Y104-V116 WeakPolarHBondContact CA-O 3.25Å; C105-V116 HydrophobicContact CB-CG1 3.9Å; C105-V116 PolarHBondContact N-O 3.36Å; C105-V116 PolarHBondContact O-N 2.85Å
117K95.8Very high85.7Confident98 Ų9845.8 Ų45.843%0.42625%0.253SS..EExtended strand (participates in β ladder)trans-98.8135.5179.6-172.3179.474.9164.40111.5E102 Y103 Y104E102-K117 HydrophobicContact CB-CD 4.37Å; E102-K117 HydrophobicContact CB-CG 4.45Å; E102-K117 HydrophobicContact CG-CD 4.33Å; E102-K117 WeakPolarHBondContact OE1-CD 3.48Å; E102-K117 IonicContact OE1-NZ 3Å; E102-K117 PolarHBondContact OE1-NZ 3.39Å; Y103-K117 CarbonylContact O-C 3.5Å; Y103-K117 WeakPolarHBondContact O-CA 3.28Å; Y104-K117 HydrophobicContact CD1-CB 4.12Å; Y104-K117 HydrophobicContact CD1-CG 4.28Å; Y104-K117 HydrophobicContact CE1-CB 3.9Å; Y104-K117 HydrophobicContact CE1-CD 3.92Å; Y104-K117 HydrophobicContact CE1-CG 3.83Å; Y104-K117 HydrophobicContact CE2-CG 4.42Å
118V97.6Very high86Confident0 Ų050.7 Ų50.70%028%0.277CS..EExtended strand (participates in β ladder)trans-127124.1170.8178.30000108.8T26 N28 V31 L41 W57 Y103T26-V118 HydrophobicContact CG2-CG2 4.16Å; T26-V118 WeakPolarHBondContact OG1-CG2 3.25Å; N28-V118 VanDerWaalsContact O-CG1 3.28Å; N28-V118 WeakPolarHBondContact O-CG1 3.44Å; V31-V118 HydrophobicContact CG2-CG1 3.78Å; L41-V118 HydrophobicContact CB-CG1 4.05Å; L41-V118 HydrophobicContact CD2-CB 4.27Å; L41-V118 HydrophobicContact CD2-CG1 3.9Å; L41-V118 HydrophobicContact CG-CB 4.5Å; L41-V118 HydrophobicContact CG-CG1 3.73Å; W57-V118 HydrophobicContact CH2-CG2 4.14Å; W57-V118 HydrophobicContact CZ3-CB 4.43Å; W57-V118 HydrophobicContact CZ3-CG2 4.39Å; Y103-V118 PolarHBondContact N-O 3.01Å; Y103-V118 PolarHBondContact O-N 2.68Å
119K96.4Very high86.7Confident101 Ų10149.2 Ų49.244%0.43927%0.267SS..EExtended strand (participates in β ladder)trans-90.5125.8175.1-176.3-179.9177.9-178.10109.4A29 V31A29-K119 PolarHBondContact O-N 2.59Å; V31-K119 PolarHBondContact N-O 2.86Å
120L96.3Very high87.9Confident0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-106.1117.6171.4177.562.4000109.4V31 A33 A39 L41 F92 V95 D99 N100 G101 Y103 V122V31-L120 HydrophobicContact CB-CD1 4.01Å; V31-L120 HydrophobicContact CG1-CD1 3.8Å; V31-L120 WeakPolarHBondContact O-CA 3.45Å; A33-L120 HydrophobicContact CB-CD1 4.42Å; A39-L120 HydrophobicContact CB-CD1 4Å; L41-L120 HydrophobicContact CD1-CD2 4.48Å; F92-L120 HydrophobicContact CE2-CD2 4.27Å; V95-L120 HydrophobicContact CG1-CD2 4.14Å; D99-L120 HydrophobicContact CB-CD2 4.22Å; N100-L120 WeakPolarHBondContact CA-O 3.23Å; G101-L120 PolarHBondContact N-O 2.76Å; G101-L120 PolarHBondContact O-N 3.36Å; Y103-L120 HydrophobicContact CD2-CB 3.93Å; Y103-L120 HydrophobicContact CE2-CB 3.71Å; Y103-L120 HydrophobicContact CE2-CD2 3.92Å; Y103-L120 HydrophobicContact CE2-CG 4.43Å; L120-V122 HydrophobicContact CD2-CG2 4.45Å; L120-V122 HydrophobicContact CG-CG2 4.27Å
121T95.1Very high89.8Confident14 Ų1450.7 Ų50.79%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-105114.5173.7-520000109.7V31 R32 A33 N100 L123 P154V31-T121 PolarHBondContact O-N 3.34Å; R32-T121 WeakPolarHBondContact CA-O 3.43Å; A33-T121 PolarHBondContact N-O 2.77Å; A33-T121 VanDerWaalsContact N-O 3.14Å; N100-T121 VanDerWaalsContact OD1-CA 3.3Å; N100-T121 WeakPolarHBondContact OD1-CA 3.4Å; T121-L123 HydrophobicContact CG2-CD2 4.05Å; T121-P154 HydrophobicContact CG2-CG 3.8Å
122V95.4Very high92Very high0 Ų053.4 Ų53.40%026%0.264CS..EExtended strand (participates in β ladder)trans-89.8116.5177.6-176.90000109.6A33 E35 V95 D99 N100 L120 S153A33-V122 CarbonylContact O-C 3.58Å; A33-V122 WeakPolarHBondContact O-CA 3.37Å; E35-V122 HydrophobicContact CB-CG1 4.08Å; V95-V122 HydrophobicContact CB-CG2 4.03Å; V95-V122 HydrophobicContact CG2-CG1 3.93Å; V95-V122 HydrophobicContact CG2-CG2 4.04Å; D99-V122 HydrophobicContact CB-CG2 4.36Å; N100-V122 HydrophobicContact CB-CB 4.31Å; N100-V122 HydrophobicContact CB-CG2 4.29Å; N100-V122 PolarHBondContact OD1-N 3.12Å; L120-V122 HydrophobicContact CD2-CG2 4.45Å; L120-V122 HydrophobicContact CG-CG2 4.27Å; V122-S153 PolarHBondContact O-OG 3.02Å; V122-S153 VanDerWaalsContact O-OG 3.13Å
123L95.8Very high94Very high20 Ų2051.7 Ų51.711%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-87.4123.2-175.6-59.7-173000110.4R32 A33 K34 E35 T121 S153 P154 A211 A212R32-L123 HydrophobicContact CB-CD1 4.08Å; R32-L123 HydrophobicContact CB-CG 4.31Å; A33-L123 PolarHBondContact O-N 2.78Å; K34-L123 WeakPolarHBondContact CA-O 3.3Å; K34-L123 HydrophobicContact CG-CB 4.34Å; E35-L123 PolarHBondContact N-O 2.72Å; T121-L123 HydrophobicContact CG2-CD2 4.05Å; L123-S153 CarbonylContact C-O 3.49Å; L123-S153 WeakPolarHBondContact CA-O 3.41Å; L123-P154 HydrophobicContact CD2-CG 4.42Å; L123-A211 HydrophobicContact CD2-CB 4.07Å; L123-A212 HydrophobicContact CB-CB 3.87Å
124V94.8Very high95.1Very high4 Ų448.5 Ų48.52%0.02425%0.246CC..BIsolated β-bridgetrans-131.4120.8178.1-178.20000107.7E35 R97 Q151 S153 N210 A212E35-V124 HydrophobicContact CB-CG2 3.97Å; R97-V124 HydrophobicContact CG-CG2 3.58Å; R97-V124 VanDerWaalsContact CZ-CG1 3.46Å; V124-Q151 WeakPolarHBondContact CG1-O 3.25Å; V124-S153 PolarHBondContact N-O 2.92Å; V124-S153 PolarHBondContact O-N 3.14Å; V124-S153 VanDerWaalsContact O-N 3.12Å; V124-N210 PolarHBondContact O-ND2 3.13Å; V124-A212 VanDerWaalsContact C-CB 3.5Å
125P93.1Very high95.7Very high76 Ų7652.7 Ų52.749%0.49427%0.27SS..PPolyproline II helixtrans-62.2145.3177.227.2-34000110.9A212P125-A212 HydrophobicContact CB-CB 4.27Å
126P94.4Very high96Very high9 Ų952.2 Ų52.26%0.05828%0.276CS..PPolyproline II helixtrans-65.4151.5174.9-11.929000109.8D149 P156 A208 N210 G213 A215P126-D149 HydrophobicContact CB-CB 4.33Å; P126-D149 WeakPolarHBondContact CB-OD2 3.43Å; P126-P156 HydrophobicContact CB-CB 4.26Å; P126-P156 HydrophobicContact CB-CG 4.33Å; P126-P156 HydrophobicContact CG-CB 3.84Å; P126-P156 HydrophobicContact CG-CG 4.39Å; P126-A208 HydrophobicContact CB-CB 3.86Å; P126-A208 HydrophobicContact CG-CB 4.39Å; P126-N210 WeakPolarHBondContact CD-OD1 3.39Å; P126-N210 HydrophobicContact CG-CB 4.14Å; P126-G213 VanDerWaalsContact CD-O 3.25Å; P126-G213 WeakPolarHBondContact CD-O 3.02Å; P126-A215 HydrophobicContact CB-CB 4.04Å; P126-A215 WeakPolarHBondContact O-CB 3.42Å
127S92.7Very high96.1Very high49 Ų4951.4 Ų51.434%0.34327%0.271SS..PPolyproline II helixtrans-83.9171.4169.666.50000110.5P129 D149 A215S127-P129 WeakPolarHBondContact O-CD 3.39Å; S127-P129 VanDerWaalsContact O-N 3.09Å; S127-D149 WeakPolarHBondContact CA-OD1 3.21Å; S127-D149 WeakPolarHBondContact CB-OD1 3.3Å; S127-D149 PolarHBondContact N-OD1 2.93Å; S127-D149 PolarHBondContact OG-OD1 3.37Å; S127-A215 WeakPolarHBondContact O-CB 2.93Å
128M95.6Very high96.1Very high103 Ų10349.6 Ų49.651%0.50727%0.268SS..PPolyproline II helixtrans-56.4118.6173.4-175.8175.575.600108.7
129P96.5Very high96Very high4 Ų450.7 Ų50.73%0.02628%0.275CS..PPolyproline II helixtrans-71.2155.7-173.128.6-33000110.9S127 H148 D149 A208 K216 C218S127-P129 WeakPolarHBondContact O-CD 3.39Å; S127-P129 VanDerWaalsContact O-N 3.09Å; P129-H148 WeakPolarHBondContact CA-O 3.43Å; P129-D149 HydrophobicContact CB-CB 4.4Å; P129-A208 HydrophobicContact CB-CB 4.24Å; P129-A208 HydrophobicContact CG-CB 4.21Å; P129-K216 VanDerWaalsContact CD-O 3.23Å; P129-K216 WeakPolarHBondContact CD-O 3.02Å; P129-C218 HydrophobicContact CG-CB 4.3Å; P129-C218 WeakPolarHBondContact O-CB 3.4Å
130M96.3Very high95.8Very high143 Ų14348.9 Ų48.970%0.70428%0.279SS*.EExtended strand (participates in β ladder)trans-88121.5171.5-63.2-174.774.300109.6C147 H148M130-C147 WeakPolarHBondContact O-CA 3.48Å; M130-H148 PolarHBondContact N-O 2.99Å; M130-H148 PolarHBondContact O-N 2.8Å; M130-H148 VanDerWaalsContact O-N 3.1Å
131C97.4Very high95.7Very high28 Ų2857 Ų5719%0.18931%0.309CS..EExtended strand (participates in β ladder)trans-101.8133176.8-70.30000111.1S146 C206 C218C131-S146 CarbonylContact C-O 3.54Å; C131-S146 WeakPolarHBondContact CA-O 3.23Å; C131-C206 VanDerWaalsContact SG-CB 3.57Å; C131-C218 HydrophobicContact CB-CB 3.8Å; C131-C218 WeakPolarHBondContact CB-SG 3.19Å; C131-C218 WeakPolarHBondContact SG-CB 3.13Å; C131-C218 CovalentContact SG-SG 2.02Å; C131-C218 PolarHBondContact SG-SG 2.71Å
132R98.1Very high95.8Very high183 Ų18359.7 Ų59.769%0.69133%0.329SS*.EExtended strand (participates in β ladder)trans-117.7111.2170-60-179179.31710.5108.4L145 S146R132-L145 WeakPolarHBondContact O-CA 3.25Å; R132-S146 WeakPolarHBondContact CB-OG 3Å; R132-S146 PolarHBondContact N-O 2.8Å; R132-S146 PolarHBondContact O-N 2.86Å; R132-S146 VanDerWaalsContact O-N 3.08Å
133V98.3Very high95.9Very high16 Ų1660.4 Ų60.410%0.09733%0.333CS..  trans-126.7122.6-178.81790000107.9T135 L145 W160 V221 M223V133-T135 PolarHBondContact O-N 3.29Å; V133-L145 HydrophobicContact CB-CD2 4.34Å; V133-L145 HydrophobicContact CB-CG 4.2Å; V133-L145 HydrophobicContact CG1-CD2 3.86Å; V133-L145 HydrophobicContact CG1-CG 3.98Å; V133-L145 HydrophobicContact CG2-CD2 3.85Å; V133-L145 HydrophobicContact CG2-CG 3.94Å; V133-W160 HydrophobicContact CG2-CH2 4.31Å; V133-W160 HydrophobicContact CG2-CZ3 4.21Å; V133-V221 HydrophobicContact CB-CB 3.8Å; V133-V221 HydrophobicContact CB-CG1 3.78Å; V133-V221 HydrophobicContact CG1-CB 4.3Å; V133-V221 HydrophobicContact CG1-CG1 4.17Å; V133-V221 HydrophobicContact CG2-CB 4.07Å; V133-M223 HydrophobicContact CG1-CB 3.86Å
134P97.7Very high96Very high49 Ų4963.7 Ų63.732%0.31835%0.351SS..  trans-62.9130.6173.2-24.737.4000110.8V137 V143 M223P134-V137 HydrophobicContact CB-CG2 3.98Å; P134-V143 HydrophobicContact CG-CG1 3.96Å; P134-M223 WeakPolarHBondContact O-CB 3.41Å; P134-M223 VanDerWaalsContact O-CG 3.31Å; P134-M223 WeakPolarHBondContact O-CG 3.4Å
135T97.4Very high96.2Very high98 Ų9863.5 Ų63.560%0.60135%0.349SS*.SBendtrans-78.6-27.5-178.350.90000113V133 V221 R222 E224V133-T135 PolarHBondContact O-N 3.29Å; T135-V221 HydrophobicContact CG2-CG1 4.29Å; T135-R222 WeakPolarHBondContact CA-O 3.44Å; T135-E224 PolarHBondContact O-N 3.21Å
136S97Very high96.4Very high77 Ų7761.4 Ų61.454%0.53834%0.337SS..EExtended strand (participates in β ladder)trans-133.3126.4179.3166.40000110.3E224 H226S136-E224 CarbonylContact C-O 3.59Å; S136-E224 WeakPolarHBondContact CA-O 3.39Å; S136-H226 PolarHBondContact OG-CD2 2.83Å
137V96.7Very high96.6Very high8 Ų861 Ų615%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-130.5147.4-176.5168.60000109.2P134 V143 A196 M223 E224 V225 H226P134-V137 HydrophobicContact CB-CG2 3.98Å; V137-V143 HydrophobicContact CB-CG2 4.14Å; V137-V143 HydrophobicContact CG1-CG2 3.35Å; V137-V143 HydrophobicContact CG2-CG1 4.13Å; V137-V143 HydrophobicContact CG2-CG2 3.66Å; V137-A196 HydrophobicContact CG1-CB 3.49Å; V137-A196 VanDerWaalsContact CG1-CB 3.49Å; V137-M223 HydrophobicContact CG2-CG 3.9Å; V137-M223 HydrophobicContact CG2-SD 3.84Å; V137-E224 PolarHBondContact N-O 3.26Å; V137-V225 HydrophobicContact CB-CG2 4.18Å; V137-V225 HydrophobicContact CG1-CG1 4.23Å; V137-V225 HydrophobicContact CG1-CG2 4.24Å; V137-V225 CarbonylContact O-C 3.37Å; V137-V225 WeakPolarHBondContact O-CA 3.38Å; V137-H226 PolarHBondContact O-N 2.79Å
138T95.7Very high96.7Very high60 Ų6064.1 Ų64.137%0.36834%0.343SS..EExtended strand (participates in β ladder)trans-99141.7171.9-51.10000110.6R141 H226 I228T138-R141 WeakPolarHBondContact O-CB 3.41Å; T138-R141 PolarHBondContact O-N 2.78Å; T138-H226 CarbonylContact C-O 3.53Å; T138-H226 WeakPolarHBondContact CA-O 3.32Å; T138-I228 HydrophobicContact CG2-CB 4.41Å; T138-I228 HydrophobicContact CG2-CG1 3.56Å
139T95.7Very high96.6Very high23 Ų2359.6 Ų59.614%0.14132%0.321CS..THydrogen-bonded Turntrans-54.6150.4176.2510000112.4R141 A196 K198 V225 H226 D227 I228T139-R141 PolarHBondContact O-N 3.44Å; T139-R141 VanDerWaalsContact O-N 3.11Å; T139-A196 CarbonylContact C-O 3.59Å; T139-A196 WeakPolarHBondContact CA-O 3.4Å; T139-K198 HydrophobicContact CG2-CD 4.46Å; T139-K198 HydrophobicContact CG2-CG 4.25Å; T139-V225 HydrophobicContact CG2-CG1 3.68Å; T139-H226 WeakPolarHBondContact CG2-O 3.46Å; T139-H226 PolarHBondContact N-O 3.33Å; T139-D227 WeakPolarHBondContact OG1-CA 3.3Å; T139-I228 PolarHBondContact OG1-N 2.86Å
140A93.1Very high96Very high63 Ų6363.3 Ų63.352%0.52135%0.352SS..THydrogen-bonded Turntrans6111.8-178.800000115.7A196A140-A196 PolarHBondContact N-O 2.89Å
141R94.1Very high95.4Very high169 Ų16960.8 Ų60.864%0.63834%0.339SS*.  trans-96150.3169.9-62.2-61.7-174.9160.8-1.5110.9T138 T139 A196T138-R141 WeakPolarHBondContact O-CB 3.41Å; T138-R141 PolarHBondContact O-N 2.78Å; T139-R141 PolarHBondContact O-N 3.44Å; T139-R141 VanDerWaalsContact O-N 3.11Å; R141-A196 WeakPolarHBondContact O-CB 3.39Å; R141-A196 PolarHBondContact O-N 3.17Å
142S96.7Very high95.1Very high72 Ų7260.1 Ų60.150%0.50334%0.336SS..  trans-74.7141.5169.6175.70000110.1F193 P194S142-F193 CarbonylContact C-O 3.53Å; S142-F193 WeakPolarHBondContact CA-O 3.49Å; S142-P194 VanDerWaalsContact CA-O 3.3Å; S142-P194 WeakPolarHBondContact CA-O 3.38Å; S142-P194 WeakPolarHBondContact CB-O 3.43Å; S142-P194 PolarHBondContact N-O 3.38Å
143V97.4Very high94.7Very high14 Ų1452.6 Ų52.69%0.08531%0.312CS..EExtended strand (participates in β ladder)trans-137137.7179.5173.70000110.3P134 V137 L145 E192 F193 A196 M223P134-V143 HydrophobicContact CG-CG1 3.96Å; V137-V143 HydrophobicContact CB-CG2 4.14Å; V137-V143 HydrophobicContact CG1-CG2 3.35Å; V137-V143 HydrophobicContact CG2-CG1 4.13Å; V137-V143 HydrophobicContact CG2-CG2 3.66Å; V143-L145 HydrophobicContact CG1-CD1 3.58Å; V143-E192 CarbonylContact O-C 3.56Å; V143-E192 WeakPolarHBondContact O-CA 3.45Å; V143-F193 HydrophobicContact CB-CB 4.45Å; V143-F193 PolarHBondContact N-O 3.07Å; V143-F193 PolarHBondContact O-N 3.1Å; V143-A196 HydrophobicContact CG2-CB 4.29Å; V143-M223 HydrophobicContact CG1-SD 4.11Å
144L98.2Very high94.3Very high89 Ų8953.8 Ų53.847%0.46632%0.32SS..EExtended strand (participates in β ladder)trans-117.8120.5176.7-177.567.4000110.2N190 E192L144-N190 HydrophobicContact CD1-CB 3.76Å; L144-E192 HydrophobicContact CD1-CB 4.25Å
145L98.4Very high94.1Very high0 Ų056.9 Ų56.90%034%0.34CS..EExtended strand (participates in β ladder)trans-96.7139.1165-77.661.6000107.7R132 V133 V143 W160 N190 L191 F193 Y204 M223R132-L145 WeakPolarHBondContact O-CA 3.25Å; V133-L145 HydrophobicContact CB-CD2 4.34Å; V133-L145 HydrophobicContact CB-CG 4.2Å; V133-L145 HydrophobicContact CG1-CD2 3.86Å; V133-L145 HydrophobicContact CG1-CG 3.98Å; V133-L145 HydrophobicContact CG2-CD2 3.85Å; V133-L145 HydrophobicContact CG2-CG 3.94Å; V143-L145 HydrophobicContact CG1-CD1 3.58Å; L145-W160 HydrophobicContact CB-CH2 3.73Å; L145-W160 HydrophobicContact CB-CZ2 3.9Å; L145-W160 HydrophobicContact CB-CZ3 4.29Å; L145-W160 HydrophobicContact CD2-CH2 4.32Å; L145-W160 HydrophobicContact CD2-CZ3 4.05Å; L145-N190 WeakPolarHBondContact O-CA 3.34Å; L145-L191 HydrophobicContact CB-CB 4.1Å; L145-L191 HydrophobicContact CB-CG 4.49Å; L145-L191 HydrophobicContact CD2-CD2 3.96Å; L145-L191 PolarHBondContact N-O 2.87Å; L145-L191 PolarHBondContact O-N 2.83Å; L145-F193 HydrophobicContact CD1-CD2 4.23Å; L145-F193 HydrophobicContact CD1-CE2 4.09Å; L145-F193 HydrophobicContact CD2-CE2 4.4Å; L145-Y204 HydrophobicContact CD2-CD1 3.62Å; L145-Y204 HydrophobicContact CD2-CD2 4.25Å; L145-Y204 HydrophobicContact CD2-CE1 4.23Å; L145-Y204 HydrophobicContact CD2-CG 3.62Å; L145-M223 HydrophobicContact CD1-SD 4.02Å
146S98.1Very high94Very high33 Ų3352.8 Ų52.823%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-126.2144.9177.950.30000111.2C131 R132C131-S146 CarbonylContact C-O 3.54Å; C131-S146 WeakPolarHBondContact CA-O 3.23Å; R132-S146 WeakPolarHBondContact CB-OG 3Å; R132-S146 PolarHBondContact N-O 2.8Å; R132-S146 PolarHBondContact O-N 2.86Å; R132-S146 VanDerWaalsContact O-N 3.08Å
147C97.3Very high94Very high1 Ų152.3 Ų52.31%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-137.9124.8179.5175.80000108.2M130 Y158 W160 G189 C206M130-C147 WeakPolarHBondContact O-CA 3.48Å; C147-Y158 HydrophobicContact CB-CD1 4.24Å; C147-Y158 WeakPolarHBondContact SG-CD1 3.29Å; C147-W160 HydrophobicContact CB-CH2 4.01Å; C147-W160 HydrophobicContact CB-CZ2 3.45Å; C147-W160 VanDerWaalsContact CB-CZ2 3.45Å; C147-G189 PolarHBondContact N-O 2.88Å; C147-G189 WeakPolarHBondContact O-CA 3.18Å; C147-C206 HydrophobicContact CB-CB 3.57Å; C147-C206 WeakPolarHBondContact CB-SG 3.46Å; C147-C206 WeakPolarHBondContact SG-CB 3.33Å; C147-C206 CovalentContact SG-SG 2.03Å; C147-C206 PolarHBondContact SG-SG 3.18Å
148H94.5Very high94Very high114 Ų11452.4 Ų52.453%0.52831%0.309SS..EExtended strand (participates in β ladder)trans-143.1137.3-176.6-177.2-85.1000111.7P129 M130P129-H148 WeakPolarHBondContact CA-O 3.43Å; M130-H148 PolarHBondContact N-O 2.99Å; M130-H148 PolarHBondContact O-N 2.8Å; M130-H148 VanDerWaalsContact O-N 3.1Å
149D93Very high94.1Very high7 Ų754.4 Ų54.44%0.03731%0.312CS..  trans-111.5140.4168.7167.663.3000110.4P126 S127 P129 Q151 G152 P156 Y158 A208P126-D149 HydrophobicContact CB-CB 4.33Å; P126-D149 WeakPolarHBondContact CB-OD2 3.43Å; S127-D149 WeakPolarHBondContact CA-OD1 3.21Å; S127-D149 WeakPolarHBondContact CB-OD1 3.3Å; S127-D149 PolarHBondContact N-OD1 2.93Å; S127-D149 PolarHBondContact OG-OD1 3.37Å; P129-D149 HydrophobicContact CB-CB 4.4Å; D149-Q151 PolarHBondContact OD1-N 3Å; D149-Q151 PolarHBondContact OD2-N 3.21Å; D149-Q151 VanDerWaalsContact OD2-N 3.16Å; D149-G152 WeakPolarHBondContact OD2-CA 3.05Å; D149-G152 PolarHBondContact OD2-N 3.44Å; D149-P156 HydrophobicContact CB-CG 4.1Å; D149-Y158 HydrophobicContact CB-CE1 4.42Å; D149-Y158 PolarHBondContact N-OH 3.43Å; D149-A208 HydrophobicContact CB-CB 4.04Å
150A83.9Confident94.2Very high82 Ų8253.4 Ų53.468%0.67831%0.306SS*.SBendtrans-98.2-9.2-176.500000114
151Q84.3Confident94.5Very high91 Ų9152 Ų5243%0.42529%0.287SS..SBendtrans-119.4-23.9-161.8-63.2-66.87.400115R97 V124 D149R97-Q151 PolarHBondContact NH1-O 2.92Å; V124-Q151 WeakPolarHBondContact CG1-O 3.25Å; D149-Q151 PolarHBondContact OD1-N 3Å; D149-Q151 PolarHBondContact OD2-N 3.21Å; D149-Q151 VanDerWaalsContact OD2-N 3.16Å
152G90.8Very high94.6Very high14 Ų1444.8 Ų44.814%0.14426%0.26CS..  trans-66.8130.7-174.300000112.6D149 P154D149-G152 WeakPolarHBondContact OD2-CA 3.05Å; D149-G152 PolarHBondContact OD2-N 3.44Å; G152-P154 CarbonylContact C-O 3.52Å; G152-P154 CarbonylContact O-C 3.53Å
153S90Very high94.7Very high24 Ų2444.5 Ų44.517%0.16825%0.253CS..BIsolated β-bridgetrans-131.7124.8172.5176.30000109.3V122 L123 V124 N210V122-S153 PolarHBondContact O-OG 3.02Å; V122-S153 VanDerWaalsContact O-OG 3.13Å; L123-S153 CarbonylContact C-O 3.49Å; L123-S153 WeakPolarHBondContact CA-O 3.41Å; V124-S153 PolarHBondContact N-O 2.92Å; V124-S153 PolarHBondContact O-N 3.14Å; V124-S153 VanDerWaalsContact O-N 3.12Å; S153-N210 PolarHBondContact N-ND2 3.11Å; S153-N210 PolarHBondContact O-ND2 3.44Å
154P91.2Very high94.7Very high42 Ų4248.9 Ų48.927%0.27328%0.276SS..SBendcis-58.3164.8-7.5-23.134.6000113T121 L123 G152 N210T121-P154 HydrophobicContact CG2-CG 3.8Å; L123-P154 HydrophobicContact CD2-CG 4.42Å; G152-P154 CarbonylContact C-O 3.52Å; G152-P154 CarbonylContact O-C 3.53Å; P154-N210 WeakPolarHBondContact O-CB 3.3Å; P154-N210 PolarHBondContact O-ND2 2.93Å
155P91.8Very high94.6Very high114 Ų11449.5 Ų49.574%0.7428%0.28SS*.PPolyproline II helixtrans-49.9131.1176.4-27.935.5000111.4
156P95.9Very high94.5Very high11 Ų1153.4 Ų53.47%0.07131%0.305CS..PPolyproline II helixtrans-75.3160.7-176.329.6-33.5000112.5P126 D149 Y158 A208 V209 N210P126-P156 HydrophobicContact CB-CB 4.26Å; P126-P156 HydrophobicContact CB-CG 4.33Å; P126-P156 HydrophobicContact CG-CB 3.84Å; P126-P156 HydrophobicContact CG-CG 4.39Å; D149-P156 HydrophobicContact CB-CG 4.1Å; P156-Y158 HydrophobicContact CG-CE1 4.38Å; P156-A208 HydrophobicContact CB-CB 4.05Å; P156-A208 HydrophobicContact CG-CB 4.16Å; P156-V209 CarbonylContact C-O 3.53Å; P156-V209 VanDerWaalsContact CA-O 3.25Å; P156-V209 WeakPolarHBondContact CA-O 3.15Å; P156-V209 WeakPolarHBondContact CB-O 3.4Å; P156-N210 HydrophobicContact CB-CB 4.16Å
157T96.8Very high94.4Very high68 Ų6852.5 Ų52.542%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-97.1158.7159.858.80000110.4T186 A208 V209T157-T186 CarbonylContact C-O 3.5Å; T157-T186 WeakPolarHBondContact CA-O 3.15Å; T157-T186 WeakPolarHBondContact CB-O 3.14Å; T157-A208 WeakPolarHBondContact O-CA 3.21Å; T157-V209 PolarHBondContact N-O 2.8Å; T157-V209 PolarHBondContact O-N 3.24Å; T157-V209 PolarHBondContact OG1-O 3.34Å
158Y97.6Very high94.4Very high10 Ų1053.4 Ų53.44%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-119.2138.9-171.3-60.5-83.4000111.9C147 D149 P156 T186 G189 E207 A208C147-Y158 HydrophobicContact CB-CD1 4.24Å; C147-Y158 WeakPolarHBondContact SG-CD1 3.29Å; D149-Y158 HydrophobicContact CB-CE1 4.42Å; D149-Y158 PolarHBondContact N-OH 3.43Å; P156-Y158 HydrophobicContact CG-CE1 4.38Å; Y158-T186 WeakPolarHBondContact CD2-O 2.95Å; Y158-T186 PolarHBondContact N-O 3.35Å; Y158-G189 VanDerWaalsContact CD2-N 3.34Å; Y158-G189 VanDerWaalsContact CG-CA 3.5Å; Y158-E207 WeakPolarHBondContact CA-O 3.41Å; Y158-A208 HydrophobicContact CD1-CB 3.96Å; Y158-A208 HydrophobicContact CE1-CB 3.81Å
159K97.5Very high94.4Very high102 Ų10254 Ų5444%0.44331%0.306SS..EExtended strand (participates in β ladder)trans-123.2129.2176.3-62.8177.7-175.1171.20109.7Y161 C206 E207 V209K159-Y161 HydrophobicContact CB-CE2 3.93Å; K159-C206 CarbonylContact O-C 3.44Å; K159-C206 VanDerWaalsContact O-CA 3.22Å; K159-C206 WeakPolarHBondContact O-CA 3.44Å; K159-E207 HydrophobicContact CB-CB 4.49Å; K159-E207 PolarHBondContact N-O 3.49Å; K159-E207 PolarHBondContact O-N 3.28Å; K159-V209 HydrophobicContact CD-CG2 4.46Å
160W98.3Very high94.4Very high1 Ų156 Ų560%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-97148.9178.1-78.694.9000111.8V133 L145 C147 L167 I184 G189 L191 S205 C206V133-W160 HydrophobicContact CG2-CH2 4.31Å; V133-W160 HydrophobicContact CG2-CZ3 4.21Å; L145-W160 HydrophobicContact CB-CH2 3.73Å; L145-W160 HydrophobicContact CB-CZ2 3.9Å; L145-W160 HydrophobicContact CB-CZ3 4.29Å; L145-W160 HydrophobicContact CD2-CH2 4.32Å; L145-W160 HydrophobicContact CD2-CZ3 4.05Å; C147-W160 HydrophobicContact CB-CH2 4.01Å; C147-W160 HydrophobicContact CB-CZ2 3.45Å; C147-W160 VanDerWaalsContact CB-CZ2 3.45Å; W160-L167 HydrophobicContact CB-CB 4.4Å; W160-L167 HydrophobicContact CB-CD1 4.1Å; W160-L167 PolarHBondContact O-N 2.83Å; W160-I184 HydrophobicContact CB-CD1 4.29Å; W160-G189 WeakPolarHBondContact CZ2-O 3.46Å; W160-G189 PolarHBondContact NE1-O 2.79Å; W160-L191 HydrophobicContact CB-CD2 4.02Å; W160-L191 HydrophobicContact CD2-CB 3.91Å; W160-L191 HydrophobicContact CD2-CD2 3.78Å; W160-L191 HydrophobicContact CE3-CD2 4.02Å; W160-L191 HydrophobicContact CG-CB 3.91Å; W160-L191 HydrophobicContact CG-CD2 3.79Å; W160-L191 HydrophobicContact CG-CG 4.43Å; W160-L191 HydrophobicContact CZ2-CB 4.24Å; W160-S205 VanDerWaalsContact CE3-O 3.32Å; W160-C206 HydrophobicContact CD2-CB 3.95Å; W160-C206 HydrophobicContact CE3-CB 3.87Å; W160-C206 HydrophobicContact CH2-CB 4.16Å; W160-C206 HydrophobicContact CZ2-CB 4.25Å; W160-C206 HydrophobicContact CZ3-CB 3.97Å
161Y98.3Very high94.8Very high35 Ų3552.8 Ų52.814%0.13729%0.289CS..EExtended strand (participates in β ladder)trans-132.1136.9178.3-63.2-103.5000108.7K159 N165 P166 Y204 S205 E207K159-Y161 HydrophobicContact CB-CE2 3.93Å; Y161-N165 CarbonylContact C-O 3.56Å; Y161-N165 WeakPolarHBondContact CA-O 3.48Å; Y161-P166 HydrophobicContact CD1-CB 4.03Å; Y161-P166 HydrophobicContact CE1-CB 3.76Å; Y161-P166 HydrophobicContact CE1-CG 4.49Å; Y161-Y204 WeakPolarHBondContact O-CA 3.22Å; Y161-S205 PolarHBondContact N-O 3.46Å; Y161-S205 PolarHBondContact O-N 2.87Å; Y161-E207 HydrophobicContact CE2-CB 3.9Å
162K97.7Very high95.1Very high16 Ų1652.5 Ų52.57%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-118.3124.4171.3-172.8-164.4178.7-152.70108.4N164 N165 L167 Y180 M199 T201 D203 Y204K162-N164 PolarHBondContact O-N 2.03Å; K162-N165 PolarHBondContact N-O 2.87Å; K162-N165 WeakPolarHBondContact O-CB 3.44Å; K162-N165 PolarHBondContact O-N 2.9Å; K162-L167 HydrophobicContact CB-CD1 4.26Å; K162-L167 HydrophobicContact CB-CD2 3.85Å; K162-L167 HydrophobicContact CB-CG 4.14Å; K162-Y180 HydrophobicContact CD-CE1 4.4Å; K162-M199 PolarHBondContact NZ-O 3.45Å; K162-T201 WeakPolarHBondContact CE-O 3.35Å; K162-T201 PolarHBondContact NZ-O 2.79Å; K162-D203 CarbonylContact C-O 3.57Å; K162-D203 WeakPolarHBondContact CA-O 3.48Å; K162-Y204 HydrophobicContact CB-CD1 4.34Å; K162-Y204 HydrophobicContact CB-CE1 3.98Å; K162-Y204 HydrophobicContact CD-CE1 4.34Å; K162-Y204 WeakPolarHBondContact CD-OH 3.45Å; K162-Y204 HydrophobicContact CG-CD1 4.46Å; K162-Y204 HydrophobicContact CG-CE1 3.9Å; K162-Y204 HydrophobicContact CG-CE2 4.1Å
163D97.4Very high95.2Very high67 Ų6759.3 Ų59.336%0.35832%0.323SS..THydrogen-bonded Turntrans52.941.5-178.8-50.8-46000111.6N165 G202 D203D163-N165 PolarHBondContact O-N 3.18Å; D163-N165 PolarHBondContact O-ND2 2.02Å; D163-G202 WeakPolarHBondContact OD1-CA 3.06Å; D163-D203 PolarHBondContact N-O 2.87Å; D163-D203 PolarHBondContact OD1-N 2.91Å
164N97.1Very high95.3Very high106 Ų10663.1 Ų63.157%0.56734%0.337SS*.THydrogen-bonded Turntrans652.4-172.9-63.5-59.8000117.1K162 R217K162-N164 PolarHBondContact O-N 2.03Å; N164-R217 PolarHBondContact OD1-NH1 3.45Å; N164-R217 PolarHBondContact OD1-NH2 2.72Å
165N96.2Very high95.3Very high102 Ų10264.7 Ų64.755%0.54535%0.354SS..EExtended strand (participates in β ladder)trans-93.6134175.6-63.5-75.8000110.6Y161 K162 D163 L167Y161-N165 CarbonylContact C-O 3.56Å; Y161-N165 WeakPolarHBondContact CA-O 3.48Å; K162-N165 PolarHBondContact N-O 2.87Å; K162-N165 WeakPolarHBondContact O-CB 3.44Å; K162-N165 PolarHBondContact O-N 2.9Å; D163-N165 PolarHBondContact O-N 3.18Å; D163-N165 PolarHBondContact O-ND2 2.02Å; N165-L167 PolarHBondContact O-N 3.48Å
166P96.8Very high95.1Very high81 Ų8163.3 Ų63.353%0.52635%0.352SS..EExtended strand (participates in β ladder)trans-65.2133.6178.427.1-33.5000110.8Y161Y161-P166 HydrophobicContact CD1-CB 4.03Å; Y161-P166 HydrophobicContact CE1-CB 3.76Å; Y161-P166 HydrophobicContact CE1-CG 4.49Å
167L97.1Very high94.8Very high15 Ų1564.6 Ų64.68%0.07936%0.356CS..PPolyproline II helixtrans-85121.8170.9-65.7-177.1000109.1W160 K162 N165 F177 Y182 I184 L191 Y204W160-L167 HydrophobicContact CB-CB 4.4Å; W160-L167 HydrophobicContact CB-CD1 4.1Å; W160-L167 PolarHBondContact O-N 2.83Å; K162-L167 HydrophobicContact CB-CD1 4.26Å; K162-L167 HydrophobicContact CB-CD2 3.85Å; K162-L167 HydrophobicContact CB-CG 4.14Å; N165-L167 PolarHBondContact O-N 3.48Å; L167-F177 HydrophobicContact CD2-CE1 3.93Å; L167-Y182 HydrophobicContact CB-CE2 4.38Å; L167-Y182 HydrophobicContact CD1-CE1 4.42Å; L167-Y182 HydrophobicContact CD2-CE1 4.08Å; L167-I184 HydrophobicContact CB-CD1 3.83Å; L167-L191 HydrophobicContact CD1-CD1 4.43Å; L167-L191 HydrophobicContact CD1-CD2 3.81Å; L167-Y204 HydrophobicContact CD1-CE1 4.14Å
168P95.8Very high94.2Very high20 Ų2070.3 Ų70.313%0.1337%0.37CS..PPolyproline II helixtrans-63.8144.9173.825.1-33.4000111D170 F174 F177 Y182P168-D170 PolarHBondContact O-N 2.83Å; P168-F174 HydrophobicContact CB-CD2 3.47Å; P168-F174 VanDerWaalsContact CB-CD2 3.47Å; P168-F174 HydrophobicContact CB-CE2 3.35Å; P168-F174 HydrophobicContact CB-CG 4.39Å; P168-F174 HydrophobicContact CB-CZ 4.18Å; P168-F174 HydrophobicContact CG-CD2 3.69Å; P168-F174 HydrophobicContact CG-CE2 4.12Å; P168-F174 HydrophobicContact CG-CG 4.31Å; P168-F177 VanDerWaalsContact CD-CZ 3.47Å; P168-F177 HydrophobicContact CG-CB 4.44Å; P168-F177 HydrophobicContact CG-CD1 4.11Å; P168-F177 HydrophobicContact CG-CD2 3.72Å; P168-F177 HydrophobicContact CG-CE1 4.26Å; P168-F177 HydrophobicContact CG-CE2 3.87Å; P168-F177 HydrophobicContact CG-CG 3.83Å; P168-F177 HydrophobicContact CG-CZ 4.14Å; P168-Y182 WeakPolarHBondContact CD-OH 2.96Å; P168-Y182 WeakPolarHBondContact CG-OH 3.38Å; P168-Y182 VanDerWaalsContact O-CE2 3.28Å; P168-Y182 WeakPolarHBondContact O-CE2 3.42Å; P168-Y182 PolarHBondContact O-OH 3.32Å
169E94.3Very high93.6Very high125 Ų12575.5 Ų75.558%0.58440%0.399SS*.SBendtrans-57.4-39.4177.2-178.8174.8-170.600112.1T186E169-T186 HydrophobicContact CG-CG2 4.09Å
170D93.6Very high93.3Very high51 Ų5173.6 Ų73.627%0.27339%0.389SS..  trans-119.298.2176.6-178.3-3.5000109.7P168 S172 K173 F174P168-D170 PolarHBondContact O-N 2.83Å; D170-S172 PolarHBondContact O-N 3.08Å; D170-S172 WeakPolarHBondContact OD1-CB 3.36Å; D170-S172 PolarHBondContact OD1-N 2.85Å; D170-S172 VanDerWaalsContact OD1-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 3.23Å; D170-K173 HydrophobicContact CB-CD 4.06Å; D170-K173 HydrophobicContact CB-CG 4.38Å; D170-K173 PolarHBondContact O-N 2.85Å; D170-K173 WeakPolarHBondContact OD2-CD 3.4Å; D170-K173 WeakPolarHBondContact OD2-CE 3.25Å; D170-K173 WeakPolarHBondContact OD2-CG 3.43Å; D170-K173 IonicContact OD2-NZ 2.78Å; D170-K173 PolarHBondContact OD2-NZ 3.47Å; D170-F174 WeakPolarHBondContact O-CD2 3.46Å
171P92.9Very high92.9Very high13 Ų1377.1 Ų77.18%0.08441%0.411CS..G310 helixtrans-63.5-23.9-178.623.4-31.8000113.1K173 F174 F177 Y182P171-K173 PolarHBondContact O-N 2.94Å; P171-F174 PolarHBondContact O-N 3.39Å; P171-F177 HydrophobicContact CB-CB 3.79Å; P171-Y182 HydrophobicContact CB-CE1 4.16Å; P171-Y182 HydrophobicContact CB-CE2 4.47Å; P171-Y182 HydrophobicContact CG-CE1 4.38Å; P171-Y182 HydrophobicContact CG-CE2 4.11Å
172S90.9Very high92.8Very high86 Ų8675.7 Ų75.760%0.60141%0.406SS*.G310 helixtrans-66.5-23.1-176.7750000113.4D170 F174D170-S172 PolarHBondContact O-N 3.08Å; D170-S172 WeakPolarHBondContact OD1-CB 3.36Å; D170-S172 PolarHBondContact OD1-N 2.85Å; D170-S172 VanDerWaalsContact OD1-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 3.23Å; S172-F174 VanDerWaalsContact C-N 3.28Å; S172-F174 PolarHBondContact O-N 2.98Å
173K92.8Very high92.8Very high157 Ų15781.2 Ų81.268%0.68343%0.43SS*.G310 helixtrans-77.1-11.8179.5-70.5176.7179.5152.20113.8D170 P171D170-K173 HydrophobicContact CB-CD 4.06Å; D170-K173 HydrophobicContact CB-CG 4.38Å; D170-K173 PolarHBondContact O-N 2.85Å; D170-K173 WeakPolarHBondContact OD2-CD 3.4Å; D170-K173 WeakPolarHBondContact OD2-CE 3.25Å; D170-K173 WeakPolarHBondContact OD2-CG 3.43Å; D170-K173 IonicContact OD2-NZ 2.78Å; D170-K173 PolarHBondContact OD2-NZ 3.47Å; P171-K173 PolarHBondContact O-N 2.94Å
174F92Very high92.8Very high103 Ų10379.1 Ų79.145%0.45242%0.418SS..  trans-122.3124.2-172.1-61.3-87.3000111.1P168 D170 P171 S172 A176 F177 R178P168-F174 HydrophobicContact CB-CD2 3.47Å; P168-F174 VanDerWaalsContact CB-CD2 3.47Å; P168-F174 HydrophobicContact CB-CE2 3.35Å; P168-F174 HydrophobicContact CB-CG 4.39Å; P168-F174 HydrophobicContact CB-CZ 4.18Å; P168-F174 HydrophobicContact CG-CD2 3.69Å; P168-F174 HydrophobicContact CG-CE2 4.12Å; P168-F174 HydrophobicContact CG-CG 4.31Å; D170-F174 WeakPolarHBondContact O-CD2 3.46Å; P171-F174 PolarHBondContact O-N 3.39Å; S172-F174 VanDerWaalsContact C-N 3.28Å; S172-F174 PolarHBondContact O-N 2.98Å; F174-A176 PolarHBondContact O-N 2.93Å; F174-F177 HydrophobicContact CB-CB 4.34Å; F174-F177 HydrophobicContact CB-CD2 3.67Å; F174-F177 HydrophobicContact CB-CG 4.46Å; F174-F177 HydrophobicContact CG-CD2 4.42Å; F174-F177 PolarHBondContact O-N 3.49Å; F174-R178 PolarHBondContact O-N 3.25Å
175A90.3Very high92.8Very high75 Ų7577.4 Ų77.462%0.6241%0.409SS*.G310 helixtrans-57.5-35.8-177.400000113.1F177 R178A175-F177 PolarHBondContact O-N 2.98Å; A175-R178 WeakPolarHBondContact O-CG 3.48Å
176A88.2Confident92.8Very high85 Ų8574.1 Ų74.170%0.70239%0.393SS*.G310 helixtrans-66.8-18.3177.300000113.9F174F174-A176 PolarHBondContact O-N 2.93Å
177F89.3Confident92.8Very high39 Ų3975.5 Ų75.517%0.17140%0.399CS..G310 helixtrans-112.99-174.8-65-90.2000113.7L167 P168 P171 F174 A175 N179 Y180 Y182L167-F177 HydrophobicContact CD2-CE1 3.93Å; P168-F177 VanDerWaalsContact CD-CZ 3.47Å; P168-F177 HydrophobicContact CG-CB 4.44Å; P168-F177 HydrophobicContact CG-CD1 4.11Å; P168-F177 HydrophobicContact CG-CD2 3.72Å; P168-F177 HydrophobicContact CG-CE1 4.26Å; P168-F177 HydrophobicContact CG-CE2 3.87Å; P168-F177 HydrophobicContact CG-CG 3.83Å; P168-F177 HydrophobicContact CG-CZ 4.14Å; P171-F177 HydrophobicContact CB-CB 3.79Å; F174-F177 HydrophobicContact CB-CB 4.34Å; F174-F177 HydrophobicContact CB-CD2 3.67Å; F174-F177 HydrophobicContact CB-CG 4.46Å; F174-F177 HydrophobicContact CG-CD2 4.42Å; F174-F177 PolarHBondContact O-N 3.49Å; A175-F177 PolarHBondContact O-N 2.98Å; F177-N179 PolarHBondContact O-N 2.97Å; F177-Y180 HydrophobicContact CB-CD2 4.14Å; F177-Y180 AromaticContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CE2 4.02Å; F177-Y180 HydrophobicContact CD1-CG 4.18Å; F177-Y180 HydrophobicContact CG-CD2 4.4Å; F177-Y180 WeakPolarHBondContact O-CB 3.36Å; F177-Y180 PolarHBondContact O-N 3.26Å; F177-Y182 HydrophobicContact CD1-CE1 4.49Å
178R83.9Confident92.7Very high187 Ų18778.2 Ų78.271%0.70641%0.414SS*.THydrogen-bonded Turntrans-55.4-28-176.9-73.5-179.9-170-95.11.4114.9F174 A175F174-R178 PolarHBondContact O-N 3.25Å; A175-R178 WeakPolarHBondContact O-CG 3.48Å
179N86Confident92.7Very high120 Ų12077.3 Ų77.364%0.64241%0.408SS*.THydrogen-bonded Turntrans-91.8-1.5-179.3-64.8-18.2000113.5F177 M199F177-N179 PolarHBondContact O-N 2.97Å; N179-M199 HydrophobicContact CB-CE 3.97Å
180Y89.6Confident92.9Very high61 Ų6173.5 Ų73.524%0.23939%0.392CS..  trans-89.4132.8177.6-72.3-100.5000110K162 F177 Y182K162-Y180 HydrophobicContact CD-CE1 4.4Å; F177-Y180 HydrophobicContact CB-CD2 4.14Å; F177-Y180 AromaticContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CE2 4.02Å; F177-Y180 HydrophobicContact CD1-CG 4.18Å; F177-Y180 HydrophobicContact CG-CD2 4.4Å; F177-Y180 WeakPolarHBondContact O-CB 3.36Å; F177-Y180 PolarHBondContact O-N 3.26Å; Y180-Y182 AromaticContact CD1-CD1 3.77Å; Y180-Y182 HydrophobicContact CD1-CD1 3.77Å; Y180-Y182 AromaticContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CG-CD1 4.15Å; Y180-Y182 AromaticContact CG-CE1 3.94Å; Y180-Y182 HydrophobicContact CG-CE1 3.94Å
181T91.5Very high93.1Very high76 Ų7671.1 Ų71.147%0.46638%0.379SS..  trans-110.66.9-176.659.20000113.1P194T181-P194 WeakPolarHBondContact O-CD 3.47Å
182Y96.2Very high93.4Very high5 Ų574.1 Ų74.12%0.0239%0.392CS..  trans-68.5159.4-175.970.4-105.1000112.3L167 P168 P171 F177 Y180 I184 L191 E192 F193L167-Y182 HydrophobicContact CB-CE2 4.38Å; L167-Y182 HydrophobicContact CD1-CE1 4.42Å; L167-Y182 HydrophobicContact CD2-CE1 4.08Å; P168-Y182 WeakPolarHBondContact CD-OH 2.96Å; P168-Y182 WeakPolarHBondContact CG-OH 3.38Å; P168-Y182 VanDerWaalsContact O-CE2 3.28Å; P168-Y182 WeakPolarHBondContact O-CE2 3.42Å; P168-Y182 PolarHBondContact O-OH 3.32Å; P171-Y182 HydrophobicContact CB-CE1 4.16Å; P171-Y182 HydrophobicContact CB-CE2 4.47Å; P171-Y182 HydrophobicContact CG-CE1 4.38Å; P171-Y182 HydrophobicContact CG-CE2 4.11Å; F177-Y182 HydrophobicContact CD1-CE1 4.49Å; Y180-Y182 AromaticContact CD1-CD1 3.77Å; Y180-Y182 HydrophobicContact CD1-CD1 3.77Å; Y180-Y182 AromaticContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CG-CD1 4.15Å; Y180-Y182 AromaticContact CG-CE1 3.94Å; Y180-Y182 HydrophobicContact CG-CE1 3.94Å; Y182-I184 HydrophobicContact CD2-CD1 4.08Å; Y182-I184 HydrophobicContact CD2-CG1 3.81Å; Y182-I184 HydrophobicContact CE2-CD1 3.54Å; Y182-I184 HydrophobicContact CE2-CG1 3.78Å; Y182-L191 HydrophobicContact CD2-CD1 3.55Å; Y182-L191 HydrophobicContact CE2-CD1 4.43Å; Y182-L191 HydrophobicContact CG-CD1 3.73Å; Y182-E192 CarbonylContact C-O 3.59Å; Y182-E192 WeakPolarHBondContact CA-O 3.35Å; Y182-E192 WeakPolarHBondContact CB-O 3.5Å; Y182-F193 HydrophobicContact CD1-CE1 4.25Å; Y182-F193 HydrophobicContact CG-CE1 4.33Å
183K96.9Very high93.7Very high132 Ų13270 Ų7057%0.57436%0.363SS*.EExtended strand (participates in β ladder)trans-126127.1173.2-61.5178.8-177.3175.50109.3L191 E192K183-L191 WeakPolarHBondContact O-CA 3.48Å; K183-E192 PolarHBondContact N-O 3.21Å; K183-E192 PolarHBondContact O-N 3.5Å
184I97.6Very high93.9Very high22 Ų2263.8 Ų63.811%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-102.7131174.6-67.7170.8000108.7W160 L167 Y182 T186 L191W160-I184 HydrophobicContact CB-CD1 4.29Å; L167-I184 HydrophobicContact CB-CD1 3.83Å; Y182-I184 HydrophobicContact CD2-CD1 4.08Å; Y182-I184 HydrophobicContact CD2-CG1 3.81Å; Y182-I184 HydrophobicContact CE2-CD1 3.54Å; Y182-I184 HydrophobicContact CE2-CG1 3.78Å; I184-T186 HydrophobicContact CG2-CG2 3.82Å; I184-L191 HydrophobicContact CD1-CD1 4.35Å; I184-L191 HydrophobicContact CG1-CD1 3.62Å
185N97.1Very high94Very high70 Ų7065.8 Ų65.837%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-106.2103.7163.2-178.6-36.3000108.2V187 N188 G189 N190N185-V187 PolarHBondContact O-N 3.21Å; N185-V187 WeakPolarHBondContact OD1-CB 3.23Å; N185-V187 PolarHBondContact OD1-N 2.87Å; N185-N188 WeakPolarHBondContact CB-OD1 3.46Å; N185-N188 PolarHBondContact ND2-ND2 3Å; N185-N188 PolarHBondContact O-OD1 2.87Å; N185-N188 PolarHBondContact OD1-N 3.03Å; N185-N188 PolarHBondContact OD1-OD1 2.82Å; N185-G189 WeakPolarHBondContact O-CA 3.17Å; N185-G189 PolarHBondContact O-N 2.97Å; N185-N190 HydrophobicContact CB-CB 4.46Å; N185-N190 PolarHBondContact N-O 2.9Å; N185-N190 PolarHBondContact O-N 3.47Å
186T96.8Very high94.2Very high34 Ų3462.5 Ų62.521%0.20932%0.32CS..THydrogen-bonded Turntrans-69.6-14.5-176.755.30000113.1T157 Y158 E169 I184T157-T186 CarbonylContact C-O 3.5Å; T157-T186 WeakPolarHBondContact CA-O 3.15Å; T157-T186 WeakPolarHBondContact CB-O 3.14Å; Y158-T186 WeakPolarHBondContact CD2-O 2.95Å; Y158-T186 PolarHBondContact N-O 3.35Å; E169-T186 HydrophobicContact CG-CG2 4.09Å; I184-T186 HydrophobicContact CG2-CG2 3.82Å
187V95.3Very high94.6Very high109 Ų10960 Ų6066%0.66130%0.298SS*.THydrogen-bonded Turntrans-90.4-43.9-177.2-179.20000111.8N185N185-V187 PolarHBondContact O-N 3.21Å; N185-V187 WeakPolarHBondContact OD1-CB 3.23Å; N185-V187 PolarHBondContact OD1-N 2.87Å
188N95.5Very high94.8Very high73 Ų7362.5 Ų62.539%0.3931%0.309SS..THydrogen-bonded Turntrans-98.8-6.2178.471.610.6000113.8N185 N190N185-N188 WeakPolarHBondContact CB-OD1 3.46Å; N185-N188 PolarHBondContact ND2-ND2 3Å; N185-N188 PolarHBondContact O-OD1 2.87Å; N185-N188 PolarHBondContact OD1-N 3.03Å; N185-N188 PolarHBondContact OD1-OD1 2.82Å; N188-N190 PolarHBondContact ND2-ND2 2.84Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.22Å; N188-N190 PolarHBondContact OD1-N 2.83Å
189G96.9Very high95.2Very high0 Ų058.5 Ų58.50%030%0.299CS..THydrogen-bonded Turntrans80.511.4176.300000115.2C147 Y158 W160 N185C147-G189 PolarHBondContact N-O 2.88Å; C147-G189 WeakPolarHBondContact O-CA 3.18Å; Y158-G189 VanDerWaalsContact CD2-N 3.34Å; Y158-G189 VanDerWaalsContact CG-CA 3.5Å; W160-G189 WeakPolarHBondContact CZ2-O 3.46Å; W160-G189 PolarHBondContact NE1-O 2.79Å; N185-G189 WeakPolarHBondContact O-CA 3.17Å; N185-G189 PolarHBondContact O-N 2.97Å
190N98Very high95.7Very high46 Ų4652.9 Ų52.925%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-80.1136.2179.6-71.3-7.1000112.1L144 L145 N185 N188L144-N190 HydrophobicContact CD1-CB 3.76Å; L145-N190 WeakPolarHBondContact O-CA 3.34Å; N185-N190 HydrophobicContact CB-CB 4.46Å; N185-N190 PolarHBondContact N-O 2.9Å; N185-N190 PolarHBondContact O-N 3.47Å; N188-N190 PolarHBondContact ND2-ND2 2.84Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.22Å; N188-N190 PolarHBondContact OD1-N 2.83Å
191L98.4Very high96.1Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-119111.516716663.9000107.8L145 W160 L167 Y182 K183 I184 F193 Y204L145-L191 HydrophobicContact CB-CB 4.1Å; L145-L191 HydrophobicContact CB-CG 4.49Å; L145-L191 HydrophobicContact CD2-CD2 3.96Å; L145-L191 PolarHBondContact N-O 2.87Å; L145-L191 PolarHBondContact O-N 2.83Å; W160-L191 HydrophobicContact CB-CD2 4.02Å; W160-L191 HydrophobicContact CD2-CB 3.91Å; W160-L191 HydrophobicContact CD2-CD2 3.78Å; W160-L191 HydrophobicContact CE3-CD2 4.02Å; W160-L191 HydrophobicContact CG-CB 3.91Å; W160-L191 HydrophobicContact CG-CD2 3.79Å; W160-L191 HydrophobicContact CG-CG 4.43Å; W160-L191 HydrophobicContact CZ2-CB 4.24Å; L167-L191 HydrophobicContact CD1-CD1 4.43Å; L167-L191 HydrophobicContact CD1-CD2 3.81Å; Y182-L191 HydrophobicContact CD2-CD1 3.55Å; Y182-L191 HydrophobicContact CE2-CD1 4.43Å; Y182-L191 HydrophobicContact CG-CD1 3.73Å; K183-L191 WeakPolarHBondContact O-CA 3.48Å; I184-L191 HydrophobicContact CD1-CD1 4.35Å; I184-L191 HydrophobicContact CG1-CD1 3.62Å; L191-F193 HydrophobicContact CD1-CE2 4.16Å; L191-F193 HydrophobicContact CD1-CZ 4.21Å; L191-F193 HydrophobicContact CD2-CE2 3.89Å; L191-F193 HydrophobicContact CD2-CZ 4.06Å; L191-F193 HydrophobicContact CG-CD2 4.48Å; L191-F193 HydrophobicContact CG-CE2 3.72Å; L191-F193 HydrophobicContact CG-CZ 4.14Å; L191-Y204 HydrophobicContact CD2-CD1 3.9Å; L191-Y204 HydrophobicContact CD2-CE1 3.93Å
192E98.1Very high96.4Very high76 Ų7648.2 Ų48.236%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-107.8132.6-176.6-172.6-175.517700110.6V143 L144 Y182 K183V143-E192 CarbonylContact O-C 3.56Å; V143-E192 WeakPolarHBondContact O-CA 3.45Å; L144-E192 HydrophobicContact CD1-CB 4.25Å; Y182-E192 CarbonylContact C-O 3.59Å; Y182-E192 WeakPolarHBondContact CA-O 3.35Å; Y182-E192 WeakPolarHBondContact CB-O 3.5Å; K183-E192 PolarHBondContact N-O 3.21Å; K183-E192 PolarHBondContact O-N 3.5Å
193F97.3Very high96.5Very high0 Ų050.8 Ų50.80%026%0.261CS..EExtended strand (participates in β ladder)trans-106.9104.5166.2-62.7-94.3000107.4S142 V143 L145 Y182 L191 F195 D200 Y204 M223S142-F193 CarbonylContact C-O 3.53Å; S142-F193 WeakPolarHBondContact CA-O 3.49Å; V143-F193 HydrophobicContact CB-CB 4.45Å; V143-F193 PolarHBondContact N-O 3.07Å; V143-F193 PolarHBondContact O-N 3.1Å; L145-F193 HydrophobicContact CD1-CD2 4.23Å; L145-F193 HydrophobicContact CD1-CE2 4.09Å; L145-F193 HydrophobicContact CD2-CE2 4.4Å; Y182-F193 HydrophobicContact CD1-CE1 4.25Å; Y182-F193 HydrophobicContact CG-CE1 4.33Å; L191-F193 HydrophobicContact CD1-CE2 4.16Å; L191-F193 HydrophobicContact CD1-CZ 4.21Å; L191-F193 HydrophobicContact CD2-CE2 3.89Å; L191-F193 HydrophobicContact CD2-CZ 4.06Å; L191-F193 HydrophobicContact CG-CD2 4.48Å; L191-F193 HydrophobicContact CG-CE2 3.72Å; L191-F193 HydrophobicContact CG-CZ 4.14Å; F193-F195 PolarHBondContact O-N 3.05Å; F193-D200 HydrophobicContact CD1-CB 4.07Å; F193-D200 HydrophobicContact CE1-CB 3.91Å; F193-D200 WeakPolarHBondContact CE1-OD1 3.44Å; F193-Y204 HydrophobicContact CE2-CE1 4.26Å; F193-Y204 AromaticContact CZ-CE1 3.79Å; F193-Y204 HydrophobicContact CZ-CE1 3.79Å; F193-Y204 AromaticContact CZ-CZ 3.89Å; F193-Y204 WeakPolarHBondContact CZ-OH 3.37Å; F193-M223 HydrophobicContact CE2-CE 4.19Å; F193-M223 HydrophobicContact CZ-CE 4.43Å
194P96.3Very high96.5Very high27 Ų2744.5 Ų44.518%0.17523%0.234CC..SBendtrans-60.4-34.8179.9-2534.8000112.6S142 T181S142-P194 VanDerWaalsContact CA-O 3.3Å; S142-P194 WeakPolarHBondContact CA-O 3.38Å; S142-P194 WeakPolarHBondContact CB-O 3.43Å; S142-P194 PolarHBondContact N-O 3.38Å; T181-P194 WeakPolarHBondContact O-CD 3.47Å
195F94.7Very high96.6Very high145 Ų14543.5 Ų43.564%0.63623%0.229SC*.SBendtrans-139.6101.5175.6-55.5-76.9000109.1F193F193-F195 PolarHBondContact O-N 3.05Å
196A95.6Very high96.6Very high5 Ų540.2 Ų40.24%0.04121%0.211CC..  trans-64.4136.4178.200000111.6V137 T139 A140 R141 V143 V225V137-A196 HydrophobicContact CG1-CB 3.49Å; V137-A196 VanDerWaalsContact CG1-CB 3.49Å; T139-A196 CarbonylContact C-O 3.59Å; T139-A196 WeakPolarHBondContact CA-O 3.4Å; A140-A196 PolarHBondContact N-O 2.89Å; R141-A196 WeakPolarHBondContact O-CB 3.39Å; R141-A196 PolarHBondContact O-N 3.17Å; V143-A196 HydrophobicContact CG2-CB 4.29Å; A196-V225 HydrophobicContact CB-CG1 4.31Å
197S94.8Very high96.7Very high34 Ų3440.3 Ų40.324%0.23821%0.209CC..  trans-121164177.578.50000110.7M199 D200 V225S197-M199 PolarHBondContact O-N 2.84Å; S197-M199 PolarHBondContact OG-N 2.88Å; S197-D200 WeakPolarHBondContact CA-OD2 3.39Å; S197-D200 WeakPolarHBondContact CB-OD2 3.31Å; S197-D200 PolarHBondContact N-OD2 3.18Å; S197-D200 WeakPolarHBondContact O-CB 3.18Å; S197-D200 PolarHBondContact O-N 2.86Å; S197-D200 PolarHBondContact OG-OD2 2.99Å; S197-V225 WeakPolarHBondContact O-CG2 3.01Å
198K94.2Very high96.8Very high91 Ų9135.1 Ų35.140%0.39618%0.178SC..G310 helixtrans-56.7-32.5175-73.9-66.7-171164.60113.5T139 D200 T201 V225 D227T139-K198 HydrophobicContact CG2-CD 4.46Å; T139-K198 HydrophobicContact CG2-CG 4.25Å; K198-D200 PolarHBondContact O-N 3.15Å; K198-T201 WeakPolarHBondContact O-CB 3.46Å; K198-T201 PolarHBondContact O-N 3.14Å; K198-T201 PolarHBondContact O-OG1 2.85Å; K198-T201 VanDerWaalsContact O-OG1 3.11Å; K198-V225 WeakPolarHBondContact CD-O 3.32Å; K198-V225 VanDerWaalsContact CE-O 3.28Å; K198-V225 WeakPolarHBondContact CE-O 3.35Å; K198-V225 PolarHBondContact NZ-O 3.35Å; K198-D227 WeakPolarHBondContact CE-OD1 3.3Å; K198-D227 WeakPolarHBondContact CE-OD2 3.36Å; K198-D227 IonicContact NZ-OD2 3.03Å; K198-D227 PolarHBondContact NZ-OD2 2.9Å
199M93.5Very high96.8Very high102 Ų10233 Ų3350%0.50217%0.167SC..G310 helixtrans-68.4-17.1179-62.2-176.8-60.700112.9K162 N179 S197 T201K162-M199 PolarHBondContact NZ-O 3.45Å; N179-M199 HydrophobicContact CB-CE 3.97Å; S197-M199 PolarHBondContact O-N 2.84Å; S197-M199 PolarHBondContact OG-N 2.88Å; M199-T201 PolarHBondContact O-N 3.45Å
200D95.6Very high96.7Very high2 Ų233.9 Ų33.91%0.01117%0.172CC..G310 helixtrans-82.1-1.6176.7-54.7-53.3000112.1F193 S197 K198 G202 Y204 M223 V225F193-D200 HydrophobicContact CD1-CB 4.07Å; F193-D200 HydrophobicContact CE1-CB 3.91Å; F193-D200 WeakPolarHBondContact CE1-OD1 3.44Å; S197-D200 WeakPolarHBondContact CA-OD2 3.39Å; S197-D200 WeakPolarHBondContact CB-OD2 3.31Å; S197-D200 PolarHBondContact N-OD2 3.18Å; S197-D200 WeakPolarHBondContact O-CB 3.18Å; S197-D200 PolarHBondContact O-N 2.86Å; S197-D200 PolarHBondContact OG-OD2 2.99Å; K198-D200 PolarHBondContact O-N 3.15Å; D200-G202 PolarHBondContact O-N 2.76Å; D200-Y204 WeakPolarHBondContact O-CE2 3.43Å; D200-Y204 PolarHBondContact O-OH 2.82Å; D200-M223 HydrophobicContact CB-CE 3.98Å; D200-M223 WeakPolarHBondContact O-CE 3.42Å; D200-V225 HydrophobicContact CB-CG2 4.41Å
201T97.1Very high96.5Very high37 Ų3734.8 Ų34.823%0.22719%0.186CC..  trans-64.2133.6169.9-61.10000110.1K162 K198 M199 M223 V225K162-T201 WeakPolarHBondContact CE-O 3.35Å; K162-T201 PolarHBondContact NZ-O 2.79Å; K198-T201 WeakPolarHBondContact O-CB 3.46Å; K198-T201 PolarHBondContact O-N 3.14Å; K198-T201 PolarHBondContact O-OG1 2.85Å; K198-T201 VanDerWaalsContact O-OG1 3.11Å; M199-T201 PolarHBondContact O-N 3.45Å; T201-M223 WeakPolarHBondContact CA-O 3.44Å; T201-M223 WeakPolarHBondContact CG2-O 3.38Å; T201-V225 PolarHBondContact OG1-N 3.11Å; T201-V225 VanDerWaalsContact OG1-N 3.15Å
202G97.7Very high96.2Very high2 Ų236.1 Ų36.12%0.02120%0.197CC..EExtended strand (participates in β ladder)trans165.9-179.8178.300000113.4D163 D200 Y204 M223D163-G202 WeakPolarHBondContact OD1-CA 3.06Å; D200-G202 PolarHBondContact O-N 2.76Å; G202-Y204 VanDerWaalsContact O-CD2 3.3Å; G202-Y204 WeakPolarHBondContact O-CD2 3.34Å; G202-M223 PolarHBondContact N-O 3.05Å; G202-M223 VanDerWaalsContact N-O 3.14Å; G202-M223 PolarHBondContact O-N 3.38Å
203D98.5Very high95.9Very high59 Ų5933.5 Ų33.532%0.31619%0.19SC..EExtended strand (participates in β ladder)trans-96.8114.7179.8-58.9-24000110K162 D163 A220 R222K162-D203 CarbonylContact C-O 3.57Å; K162-D203 WeakPolarHBondContact CA-O 3.48Å; D163-D203 PolarHBondContact N-O 2.87Å; D163-D203 PolarHBondContact OD1-N 2.91Å; D203-A220 HydrophobicContact CB-CB 4.21Å; D203-R222 WeakPolarHBondContact OD1-CA 3.5Å; D203-R222 WeakPolarHBondContact OD1-CB 3.47Å; D203-R222 VanDerWaalsContact OD1-CG 3.22Å; D203-R222 WeakPolarHBondContact OD1-CG 3.39Å; D203-R222 IonicContact OD1-NH1 2.99Å; D203-R222 PolarHBondContact OD1-NH1 3.28Å; D203-R222 IonicContact OD2-NH1 3.9Å
204Y98.6Very high95.7Very high1 Ų137.5 Ų37.50%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-101.7131.6-173.7-72.4-95.2000111.5L145 Y161 K162 L167 L191 F193 D200 G202 A220 V221 M223L145-Y204 HydrophobicContact CD2-CD1 3.62Å; L145-Y204 HydrophobicContact CD2-CD2 4.25Å; L145-Y204 HydrophobicContact CD2-CE1 4.23Å; L145-Y204 HydrophobicContact CD2-CG 3.62Å; Y161-Y204 WeakPolarHBondContact O-CA 3.22Å; K162-Y204 HydrophobicContact CB-CD1 4.34Å; K162-Y204 HydrophobicContact CB-CE1 3.98Å; K162-Y204 HydrophobicContact CD-CE1 4.34Å; K162-Y204 WeakPolarHBondContact CD-OH 3.45Å; K162-Y204 HydrophobicContact CG-CD1 4.46Å; K162-Y204 HydrophobicContact CG-CE1 3.9Å; K162-Y204 HydrophobicContact CG-CE2 4.1Å; L167-Y204 HydrophobicContact CD1-CE1 4.14Å; L191-Y204 HydrophobicContact CD2-CD1 3.9Å; L191-Y204 HydrophobicContact CD2-CE1 3.93Å; F193-Y204 HydrophobicContact CE2-CE1 4.26Å; F193-Y204 AromaticContact CZ-CE1 3.79Å; F193-Y204 HydrophobicContact CZ-CE1 3.79Å; F193-Y204 AromaticContact CZ-CZ 3.89Å; F193-Y204 WeakPolarHBondContact CZ-OH 3.37Å; D200-Y204 WeakPolarHBondContact O-CE2 3.43Å; D200-Y204 PolarHBondContact O-OH 2.82Å; G202-Y204 VanDerWaalsContact O-CD2 3.3Å; G202-Y204 WeakPolarHBondContact O-CD2 3.34Å; Y204-A220 WeakPolarHBondContact O-CA 3.36Å; Y204-V221 PolarHBondContact N-O 2.8Å; Y204-V221 PolarHBondContact O-N 3.32Å; Y204-M223 HydrophobicContact CD2-CB 4.01Å; Y204-M223 HydrophobicContact CD2-CE 4.47Å; Y204-M223 HydrophobicContact CE2-CB 4.07Å; Y204-M223 HydrophobicContact CE2-CE 3.66Å
205S98.4Very high95.7Very high1 Ų136.7 Ų36.71%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-136.9161.7171.557.60000110.5W160 Y161 R217W160-S205 VanDerWaalsContact CE3-O 3.32Å; Y161-S205 PolarHBondContact N-O 3.46Å; Y161-S205 PolarHBondContact O-N 2.87Å; S205-R217 PolarHBondContact OG-NH1 2.82Å
206C98.2Very high95.7Very high0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-137145.5-178.6169.70000110.8C131 C147 K159 W160 R217 C218C131-C206 VanDerWaalsContact SG-CB 3.57Å; C147-C206 HydrophobicContact CB-CB 3.57Å; C147-C206 WeakPolarHBondContact CB-SG 3.46Å; C147-C206 WeakPolarHBondContact SG-CB 3.33Å; C147-C206 CovalentContact SG-SG 2.03Å; C147-C206 PolarHBondContact SG-SG 3.18Å; K159-C206 CarbonylContact O-C 3.44Å; K159-C206 VanDerWaalsContact O-CA 3.22Å; K159-C206 WeakPolarHBondContact O-CA 3.44Å; W160-C206 HydrophobicContact CD2-CB 3.95Å; W160-C206 HydrophobicContact CE3-CB 3.87Å; W160-C206 HydrophobicContact CH2-CB 4.16Å; W160-C206 HydrophobicContact CZ2-CB 4.25Å; W160-C206 HydrophobicContact CZ3-CB 3.97Å; C206-R217 VanDerWaalsContact O-CA 3.29Å; C206-R217 WeakPolarHBondContact O-CA 3.28Å; C206-C218 PolarHBondContact N-SG 3.24Å; C206-C218 PolarHBondContact O-N 2.76Å
207E97.2Very high95.7Very high37 Ų3742 Ų4217%0.17323%0.231CC..EExtended strand (participates in β ladder)trans-114.4131174-166.9179.5-115.700109.6Y158 K159 Y161 V209 R217Y158-E207 WeakPolarHBondContact CA-O 3.41Å; K159-E207 HydrophobicContact CB-CB 4.49Å; K159-E207 PolarHBondContact N-O 3.49Å; K159-E207 PolarHBondContact O-N 3.28Å; Y161-E207 HydrophobicContact CE2-CB 3.9Å; E207-V209 HydrophobicContact CG-CG2 3.92Å; E207-V209 WeakPolarHBondContact OE2-CG2 3.44Å; E207-R217 HydrophobicContact CB-CG 3.86Å; E207-R217 HydrophobicContact CG-CG 4.27Å
208A97.8Very high95.8Very high0 Ų040.9 Ų40.90%022%0.223CC..EExtended strand (participates in β ladder)trans-95.7133.616900000109.5P126 P129 D149 P156 T157 Y158 A215P126-A208 HydrophobicContact CB-CB 3.86Å; P126-A208 HydrophobicContact CG-CB 4.39Å; P129-A208 HydrophobicContact CB-CB 4.24Å; P129-A208 HydrophobicContact CG-CB 4.21Å; D149-A208 HydrophobicContact CB-CB 4.04Å; P156-A208 HydrophobicContact CB-CB 4.05Å; P156-A208 HydrophobicContact CG-CB 4.16Å; T157-A208 WeakPolarHBondContact O-CA 3.21Å; Y158-A208 HydrophobicContact CD1-CB 3.96Å; Y158-A208 HydrophobicContact CE1-CB 3.81Å; A208-A215 HydrophobicContact CB-CB 4.46Å; A208-A215 PolarHBondContact O-N 2.68Å
209V95.8Very high95.9Very high27 Ų2744.1 Ų44.116%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-135.9132.5-175.7-1720000110.2P156 T157 K159 E207 P214P156-V209 CarbonylContact C-O 3.53Å; P156-V209 VanDerWaalsContact CA-O 3.25Å; P156-V209 WeakPolarHBondContact CA-O 3.15Å; P156-V209 WeakPolarHBondContact CB-O 3.4Å; T157-V209 PolarHBondContact N-O 2.8Å; T157-V209 PolarHBondContact O-N 3.24Å; T157-V209 PolarHBondContact OG1-O 3.34Å; K159-V209 HydrophobicContact CD-CG2 4.46Å; E207-V209 HydrophobicContact CG-CG2 3.92Å; E207-V209 WeakPolarHBondContact OE2-CG2 3.44Å; V209-P214 HydrophobicContact CG1-CB 4.36Å; V209-P214 HydrophobicContact CG2-CB 4.06Å
210N95.3Very high96.2Very high20 Ų2042.1 Ų42.111%0.10724%0.239CC..EExtended strand (participates in β ladder)trans-135.3-173168.975.95.1000111.5V124 P126 S153 P154 P156 A212 G213V124-N210 PolarHBondContact O-ND2 3.13Å; P126-N210 WeakPolarHBondContact CD-OD1 3.39Å; P126-N210 HydrophobicContact CG-CB 4.14Å; S153-N210 PolarHBondContact N-ND2 3.11Å; S153-N210 PolarHBondContact O-ND2 3.44Å; P154-N210 WeakPolarHBondContact O-CB 3.3Å; P154-N210 PolarHBondContact O-ND2 2.93Å; P156-N210 HydrophobicContact CB-CB 4.16Å; N210-A212 PolarHBondContact O-N 3.18Å; N210-A212 WeakPolarHBondContact OD1-CA 3.28Å; N210-A212 VanDerWaalsContact OD1-CB 3.25Å; N210-A212 WeakPolarHBondContact OD1-CB 3.13Å; N210-A212 PolarHBondContact OD1-N 3.45Å; N210-G213 PolarHBondContact N-O 3.38Å; N210-G213 PolarHBondContact O-N 3.28Å; N210-G213 PolarHBondContact OD1-N 3.01Å; N210-G213 PolarHBondContact OD1-O 3.19Å
211A92.9Very high96.3Very high65 Ų6544 Ų4454%0.53725%0.251SS..THydrogen-bonded Turntrans-63.8-17.5-179.100000114.5L123L123-A211 HydrophobicContact CD2-CB 4.07Å
212A92.8Very high96.3Very high28 Ų2847.6 Ų47.623%0.23126%0.26CS..THydrogen-bonded Turntrans-84.5-20.2175.400000112.6L123 V124 P125 N210L123-A212 HydrophobicContact CB-CB 3.87Å; V124-A212 VanDerWaalsContact C-CB 3.5Å; P125-A212 HydrophobicContact CB-CB 4.27Å; N210-A212 PolarHBondContact O-N 3.18Å; N210-A212 WeakPolarHBondContact OD1-CA 3.28Å; N210-A212 VanDerWaalsContact OD1-CB 3.25Å; N210-A212 WeakPolarHBondContact OD1-CB 3.13Å; N210-A212 PolarHBondContact OD1-N 3.45Å
213G91.8Very high96.4Very high20 Ų2047.5 Ų47.521%0.20626%0.259CS..EExtended strand (participates in β ladder)trans142177177.300000113.4P126 N210P126-G213 VanDerWaalsContact CD-O 3.25Å; P126-G213 WeakPolarHBondContact CD-O 3.02Å; N210-G213 PolarHBondContact N-O 3.38Å; N210-G213 PolarHBondContact O-N 3.28Å; N210-G213 PolarHBondContact OD1-N 3.01Å; N210-G213 PolarHBondContact OD1-O 3.19Å
214P93.9Very high96.3Very high84 Ų8448.5 Ų48.555%0.54526%0.262SS..EExtended strand (participates in β ladder)trans-81.3149.317333.7-33.7000111.8V209V209-P214 HydrophobicContact CG1-CB 4.36Å; V209-P214 HydrophobicContact CG2-CB 4.06Å
215A94.4Very high96.2Very high10 Ų1048.6 Ų48.68%0.08326%0.263CS..PPolyproline II helixtrans-84.9168.6166.200000111.8P126 S127 A208P126-A215 HydrophobicContact CB-CB 4.04Å; P126-A215 WeakPolarHBondContact O-CB 3.42Å; S127-A215 WeakPolarHBondContact O-CB 2.93Å; A208-A215 HydrophobicContact CB-CB 4.46Å; A208-A215 PolarHBondContact O-N 2.68Å
216K94.9Very high96.1Very high171 Ų17152.4 Ų52.474%0.74328%0.28SS*.PPolyproline II helixtrans-62.6144161.4-67.9-175.2178.8-178.60109.4P129P129-K216 VanDerWaalsContact CD-O 3.23Å; P129-K216 WeakPolarHBondContact CD-O 3.02Å
217R96.6Very high95.7Very high92 Ų9257.5 Ų57.535%0.34731%0.307SS..PPolyproline II helixtrans-61.9145.2170.7-72.6-169.6-73140.4-5.8110.5N164 S205 C206 E207N164-R217 PolarHBondContact OD1-NH1 3.45Å; N164-R217 PolarHBondContact OD1-NH2 2.72Å; S205-R217 PolarHBondContact OG-NH1 2.82Å; C206-R217 VanDerWaalsContact O-CA 3.29Å; C206-R217 WeakPolarHBondContact O-CA 3.28Å; E207-R217 HydrophobicContact CB-CG 3.86Å; E207-R217 HydrophobicContact CG-CG 4.27Å
218C97Very high95.2Very high9 Ų959.1 Ų59.16%0.06132%0.316CS..PPolyproline II helixtrans-60.8158166.969.70000110.7P129 C131 C206 A220P129-C218 HydrophobicContact CG-CB 4.3Å; P129-C218 WeakPolarHBondContact O-CB 3.4Å; C131-C218 HydrophobicContact CB-CB 3.8Å; C131-C218 WeakPolarHBondContact CB-SG 3.19Å; C131-C218 WeakPolarHBondContact SG-CB 3.13Å; C131-C218 CovalentContact SG-SG 2.02Å; C131-C218 PolarHBondContact SG-SG 2.71Å; C206-C218 PolarHBondContact N-SG 3.24Å; C206-C218 PolarHBondContact O-N 2.76Å; C218-A220 PolarHBondContact O-N 3.4Å
219E96.9Very high94.5Very high159 Ų15964.8 Ų64.874%0.74335%0.347SS*.PPolyproline II helixtrans-58.1136.4172.8-66.2-178.4177.700110.3V221E219-V221 PolarHBondContact O-N 3.5Å
220A98Very high94Very high60 Ų6067.7 Ų67.750%0.49637%0.365SS..PPolyproline II helixtrans-70.9129.4-177.900000110D203 Y204 C218D203-A220 HydrophobicContact CB-CB 4.21Å; Y204-A220 WeakPolarHBondContact O-CA 3.36Å; C218-A220 PolarHBondContact O-N 3.4Å
221V98.4Very high93.4Very high43 Ų4369.2 Ų69.226%0.26139%0.385SS..EExtended strand (participates in β ladder)trans-113.1126.9178.4-178.20000109V133 T135 Y204 E219V133-V221 HydrophobicContact CB-CB 3.8Å; V133-V221 HydrophobicContact CB-CG1 3.78Å; V133-V221 HydrophobicContact CG1-CB 4.3Å; V133-V221 HydrophobicContact CG1-CG1 4.17Å; V133-V221 HydrophobicContact CG2-CB 4.07Å; T135-V221 HydrophobicContact CG2-CG1 4.29Å; Y204-V221 PolarHBondContact N-O 2.8Å; Y204-V221 PolarHBondContact O-N 3.32Å; E219-V221 PolarHBondContact O-N 3.5Å
222R98.1Very high93.1Very high112 Ų11267.9 Ų67.942%0.42338%0.377SS..EExtended strand (participates in β ladder)trans-75.3124.1178.3-172.6166.9-173.376.90.3111.3T135 D203 E224T135-R222 WeakPolarHBondContact CA-O 3.44Å; D203-R222 WeakPolarHBondContact OD1-CA 3.5Å; D203-R222 WeakPolarHBondContact OD1-CB 3.47Å; D203-R222 VanDerWaalsContact OD1-CG 3.22Å; D203-R222 WeakPolarHBondContact OD1-CG 3.39Å; D203-R222 IonicContact OD1-NH1 2.99Å; D203-R222 PolarHBondContact OD1-NH1 3.28Å; D203-R222 IonicContact OD2-NH1 3.9Å; R222-E224 HydrophobicContact CG-CG 4.1Å; R222-E224 IonicContact CZ-OE1 3.21Å; R222-E224 IonicContact NE-OE1 3.34Å; R222-E224 PolarHBondContact NE-OE1 3.33Å
223M98Very high92.9Very high0 Ų071.1 Ų71.10%039%0.39CS..EExtended strand (participates in β ladder)trans-102.9124.7168.1178.6173.176.800109.2V133 P134 V137 V143 L145 F193 D200 T201 G202 Y204 V225V133-M223 HydrophobicContact CG1-CB 3.86Å; P134-M223 WeakPolarHBondContact O-CB 3.41Å; P134-M223 VanDerWaalsContact O-CG 3.31Å; P134-M223 WeakPolarHBondContact O-CG 3.4Å; V137-M223 HydrophobicContact CG2-CG 3.9Å; V137-M223 HydrophobicContact CG2-SD 3.84Å; V143-M223 HydrophobicContact CG1-SD 4.11Å; L145-M223 HydrophobicContact CD1-SD 4.02Å; F193-M223 HydrophobicContact CE2-CE 4.19Å; F193-M223 HydrophobicContact CZ-CE 4.43Å; D200-M223 HydrophobicContact CB-CE 3.98Å; D200-M223 WeakPolarHBondContact O-CE 3.42Å; T201-M223 WeakPolarHBondContact CA-O 3.44Å; T201-M223 WeakPolarHBondContact CG2-O 3.38Å; G202-M223 PolarHBondContact N-O 3.05Å; G202-M223 VanDerWaalsContact N-O 3.14Å; G202-M223 PolarHBondContact O-N 3.38Å; Y204-M223 HydrophobicContact CD2-CB 4.01Å; Y204-M223 HydrophobicContact CD2-CE 4.47Å; Y204-M223 HydrophobicContact CE2-CB 4.07Å; Y204-M223 HydrophobicContact CE2-CE 3.66Å; M223-V225 HydrophobicContact CE-CG2 4.35Å
224E98Very high92.9Very high80 Ų8073.8 Ų73.837%0.37440%0.402SS..EExtended strand (participates in β ladder)trans-109.5128174.5-58.2-158152.500111.2T135 S136 V137 R222 H226T135-E224 PolarHBondContact O-N 3.21Å; S136-E224 CarbonylContact C-O 3.59Å; S136-E224 WeakPolarHBondContact CA-O 3.39Å; V137-E224 PolarHBondContact N-O 3.26Å; R222-E224 HydrophobicContact CG-CG 4.1Å; R222-E224 IonicContact CZ-OE1 3.21Å; R222-E224 IonicContact NE-OE1 3.34Å; R222-E224 PolarHBondContact NE-OE1 3.33Å; E224-H226 IonicContact OE2-CE1 3.97Å
225V96.7Very high92.9Very high3 Ų372.2 Ų72.22%0.01840%0.396CS..EExtended strand (participates in β ladder)trans-102.8122.2178.1-172.30000109.6V137 T139 A196 S197 K198 D200 T201 M223V137-V225 HydrophobicContact CB-CG2 4.18Å; V137-V225 HydrophobicContact CG1-CG1 4.23Å; V137-V225 HydrophobicContact CG1-CG2 4.24Å; V137-V225 CarbonylContact O-C 3.37Å; V137-V225 WeakPolarHBondContact O-CA 3.38Å; T139-V225 HydrophobicContact CG2-CG1 3.68Å; A196-V225 HydrophobicContact CB-CG1 4.31Å; S197-V225 WeakPolarHBondContact O-CG2 3.01Å; K198-V225 WeakPolarHBondContact CD-O 3.32Å; K198-V225 VanDerWaalsContact CE-O 3.28Å; K198-V225 WeakPolarHBondContact CE-O 3.35Å; K198-V225 PolarHBondContact NZ-O 3.35Å; D200-V225 HydrophobicContact CB-CG2 4.41Å; T201-V225 PolarHBondContact OG1-N 3.11Å; T201-V225 VanDerWaalsContact OG1-N 3.15Å; M223-V225 HydrophobicContact CE-CG2 4.35Å
226H94.9Very high92.9Very high81 Ų8173.8 Ų73.838%0.37541%0.413SS..EExtended strand (participates in β ladder)trans-106.2148.7179.1-57.5-69.6000111.5S136 V137 T138 T139 E224S136-H226 PolarHBondContact OG-CD2 2.83Å; V137-H226 PolarHBondContact O-N 2.79Å; T138-H226 CarbonylContact C-O 3.53Å; T138-H226 WeakPolarHBondContact CA-O 3.32Å; T139-H226 WeakPolarHBondContact CG2-O 3.46Å; T139-H226 PolarHBondContact N-O 3.33Å; E224-H226 IonicContact OE2-CE1 3.97Å
227D90.7Very high93Very high106 Ų10669.4 Ų69.457%0.56740%0.401SS*.  trans-72152.1176.7-63.6-52.9000111T139 K198 N229T139-D227 WeakPolarHBondContact OG1-CA 3.3Å; K198-D227 WeakPolarHBondContact CE-OD1 3.3Å; K198-D227 WeakPolarHBondContact CE-OD2 3.36Å; K198-D227 IonicContact NZ-OD2 3.03Å; K198-D227 PolarHBondContact NZ-OD2 2.9Å; D227-N229 PolarHBondContact O-N 3.11Å
228I85.8Confident93Very high71 Ų7169.3 Ų69.336%0.36441%0.406SS..  trans-61.4134166.8-59.2166.9000108.2T138 T139 T230 I233T138-I228 HydrophobicContact CG2-CB 4.41Å; T138-I228 HydrophobicContact CG2-CG1 3.56Å; T139-I228 PolarHBondContact OG1-N 2.86Å; I228-T230 PolarHBondContact O-N 2.58Å; I228-T230 PolarHBondContact O-OG1 3.21Å; I228-I233 HydrophobicContact CG2-CD1 3.6Å
229N83.7Confident93Very high119 Ų11973.6 Ų73.664%0.63643%0.432SS*.  trans-72.972.5176.8-174.57.2000111.6D227 G231 G232 I233D227-N229 PolarHBondContact O-N 3.11Å; N229-G231 VanDerWaalsContact C-N 3.26Å; N229-G231 PolarHBondContact O-N 3.27Å; N229-G232 PolarHBondContact O-N 3.03Å; N229-G232 PolarHBondContact OD1-N 3.42Å; N229-I233 WeakPolarHBondContact O-CG1 3.5Å; N229-I233 PolarHBondContact O-N 2.96Å; N229-I233 VanDerWaalsContact O-N 3.11Å
230T84.9Confident93.1Very high89 Ų8968.5 Ų68.555%0.54642%0.417SS..Hα-helixtrans-59.5-37.9-178.6-51.10000111.6I228 G232 I233 V234I228-T230 PolarHBondContact O-N 2.58Å; I228-T230 PolarHBondContact O-OG1 3.21Å; T230-G232 PolarHBondContact O-N 3.31Å; T230-I233 PolarHBondContact O-N 3.45Å; T230-V234 HydrophobicContact CG2-CG2 4.1Å; T230-V234 WeakPolarHBondContact O-CB 3.35Å; T230-V234 VanDerWaalsContact O-CG2 3.27Å; T230-V234 WeakPolarHBondContact O-CG2 3.43Å; T230-V234 PolarHBondContact O-N 3.49Å
231G82.8Confident93.1Very high51 Ų5170.9 Ų70.953%0.52642%0.421SS..Hα-helixtrans-61.1-45.817800000112.6N229 A235N229-G231 VanDerWaalsContact C-N 3.26Å; N229-G231 PolarHBondContact O-N 3.27Å; G231-A235 VanDerWaalsContact O-CB 3.25Å; G231-A235 WeakPolarHBondContact O-CB 3.25Å; G231-A235 PolarHBondContact O-N 2.94Å
232G86.6Confident93Very high37 Ų3773.9 Ų73.938%0.38144%0.435SS..Hα-helixtrans-63.7-41.3175.300000113N229 T230 G236N229-G232 PolarHBondContact O-N 3.03Å; N229-G232 PolarHBondContact OD1-N 3.42Å; T230-G232 PolarHBondContact O-N 3.31Å; G232-G236 PolarHBondContact O-N 3Å
233I88.4Confident93Very high97 Ų9770.8 Ų70.850%0.49743%0.433SS..Hα-helixtrans-64.1-50.7177.8-64.5168.1000110.5I228 N229 T230 A235 G236 V237I228-I233 HydrophobicContact CG2-CD1 3.6Å; N229-I233 WeakPolarHBondContact O-CG1 3.5Å; N229-I233 PolarHBondContact O-N 2.96Å; N229-I233 VanDerWaalsContact O-N 3.11Å; T230-I233 PolarHBondContact O-N 3.45Å; I233-A235 PolarHBondContact O-N 3.47Å; I233-G236 PolarHBondContact O-N 3.31Å; I233-V237 HydrophobicContact CG2-CG2 4.49Å; I233-V237 WeakPolarHBondContact O-CG2 3.4Å; I233-V237 PolarHBondContact O-N 3.32Å
234V91.8Very high93Very high75 Ų7576.2 Ų76.246%0.45546%0.462SS..Hα-helixtrans-62.4-45.7-179172.40000110.9T230 G236 V237 I238T230-V234 HydrophobicContact CG2-CG2 4.1Å; T230-V234 WeakPolarHBondContact O-CB 3.35Å; T230-V234 VanDerWaalsContact O-CG2 3.27Å; T230-V234 WeakPolarHBondContact O-CG2 3.43Å; T230-V234 PolarHBondContact O-N 3.49Å; V234-G236 VanDerWaalsContact C-N 3.35Å; V234-G236 PolarHBondContact O-N 3.29Å; V234-V237 PolarHBondContact O-N 3.49Å; V234-I238 HydrophobicContact CG1-CD1 3.76Å; V234-I238 HydrophobicContact CG1-CG1 4.41Å; V234-I238 VanDerWaalsContact O-CG1 3.3Å; V234-I238 WeakPolarHBondContact O-CG1 3.49Å; V234-I238 PolarHBondContact O-N 2.92Å
235A93.9Very high93Very high52 Ų5275.4 Ų75.443%0.4347%0.469SS..Hα-helixtrans-59.8-44.8176.400000111.7G231 I233 V237 I238 V239G231-A235 VanDerWaalsContact O-CB 3.25Å; G231-A235 WeakPolarHBondContact O-CB 3.25Å; G231-A235 PolarHBondContact O-N 2.94Å; I233-A235 PolarHBondContact O-N 3.47Å; A235-V237 PolarHBondContact O-N 2.97Å; A235-I238 PolarHBondContact O-N 3.33Å; A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.31Å; A235-V239 PolarHBondContact O-N 3.49Å
236G94.8Very high93.1Very high42 Ų4281.3 Ų81.343%0.43350%0.5SS..Hα-helixtrans-60.1-43.2176.400000112.9G232 I233 V234 V239 A240G232-G236 PolarHBondContact O-N 3Å; I233-G236 PolarHBondContact O-N 3.31Å; V234-G236 VanDerWaalsContact C-N 3.35Å; V234-G236 PolarHBondContact O-N 3.29Å; G236-V239 PolarHBondContact O-N 2.92Å; G236-A240 WeakPolarHBondContact O-CB 3.3Å; G236-A240 PolarHBondContact O-N 3.03Å
237V96.5Very high93.2Very high80 Ų8082.9 Ų82.949%0.48551%0.51SS..Hα-helixtrans-64.1-44.6176.5172.80000111.3I233 V234 A235 V239 A240 L241I233-V237 HydrophobicContact CG2-CG2 4.49Å; I233-V237 WeakPolarHBondContact O-CG2 3.4Å; I233-V237 PolarHBondContact O-N 3.32Å; V234-V237 PolarHBondContact O-N 3.49Å; A235-V237 PolarHBondContact O-N 2.97Å; V237-V239 PolarHBondContact O-N 3.18Å; V237-A240 PolarHBondContact O-N 3.44Å; V237-L241 HydrophobicContact CG1-CD1 3.97Å; V237-L241 HydrophobicContact CG1-CG 4.35Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.95Å
238I97.2Very high93.4Very high89 Ų8979.7 Ų79.746%0.45650%0.502SS..Hα-helixtrans-60.3-47.4178-69167.2000110.7V234 A235 A240 L241 L242V234-I238 HydrophobicContact CG1-CD1 3.76Å; V234-I238 HydrophobicContact CG1-CG1 4.41Å; V234-I238 VanDerWaalsContact O-CG1 3.3Å; V234-I238 WeakPolarHBondContact O-CG1 3.49Å; V234-I238 PolarHBondContact O-N 2.92Å; A235-I238 PolarHBondContact O-N 3.33Å; I238-A240 VanDerWaalsContact C-N 3.32Å; I238-A240 PolarHBondContact O-N 3.2Å; I238-L241 PolarHBondContact O-N 2.87Å; I238-L242 HydrophobicContact CG2-CD1 3.95Å; I238-L242 HydrophobicContact CG2-CG 4.37Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 3.3Å
239V97.8Very high93.9Very high99 Ų9982.2 Ų82.260%0.651%0.511SS*.Hα-helixtrans-60.6-42.71791720000111.1A235 G236 V237 L242 A243A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.31Å; A235-V239 PolarHBondContact O-N 3.49Å; G236-V239 PolarHBondContact O-N 2.92Å; V237-V239 PolarHBondContact O-N 3.18Å; V239-L242 PolarHBondContact O-N 3.42Å; V239-A243 WeakPolarHBondContact O-CB 3.43Å; V239-A243 PolarHBondContact O-N 2.92Å
240A97.4Very high94.5Very high53 Ų5378.2 Ų78.244%0.43850%0.498SS..Hα-helixtrans-63.5-43.9177.100000112.4G236 V237 I238 A243 L244G236-A240 WeakPolarHBondContact O-CB 3.3Å; G236-A240 PolarHBondContact O-N 3.03Å; V237-A240 PolarHBondContact O-N 3.44Å; I238-A240 VanDerWaalsContact C-N 3.32Å; I238-A240 PolarHBondContact O-N 3.2Å; A240-A243 PolarHBondContact O-N 3.1Å; A240-L244 WeakPolarHBondContact O-CG 3.39Å; A240-L244 PolarHBondContact O-N 3.21Å
241L97.9Very high94.9Very high109 Ų10978.3 Ų78.357%0.57149%0.494SS*.Hα-helixtrans-64-41.3177.4-70.2174.9000112V237 I238 L244 A245V237-L241 HydrophobicContact CG1-CD1 3.97Å; V237-L241 HydrophobicContact CG1-CG 4.35Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.95Å; I238-L241 PolarHBondContact O-N 2.87Å; L241-L244 PolarHBondContact O-N 3.28Å; L241-A245 WeakPolarHBondContact O-CB 3.34Å; L241-A245 PolarHBondContact O-N 2.94Å
242L97.9Very high95.5Very high106 Ų10681.9 Ų81.956%0.55549%0.492SS*.Hα-helixtrans-62.9-43.1175-70.9173.9000111.6I238 V239 A245 L246I238-L242 HydrophobicContact CG2-CD1 3.95Å; I238-L242 HydrophobicContact CG2-CG 4.37Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 3.3Å; V239-L242 PolarHBondContact O-N 3.42Å; L242-A245 PolarHBondContact O-N 2.98Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.42Å
243A97.8Very high95.9Very high47 Ų4785 Ų8539%0.38849%0.493SS..Hα-helixtrans-62-44.5176.200000111.9V239 A240 A245 L246 L247V239-A243 WeakPolarHBondContact O-CB 3.43Å; V239-A243 PolarHBondContact O-N 2.92Å; A240-A243 PolarHBondContact O-N 3.1Å; A243-A245 PolarHBondContact O-N 2.99Å; A243-L246 PolarHBondContact O-N 3.31Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.46Å
244L97.9Very high96Very high115 Ų11581.3 Ų81.360%0.60248%0.477SS*.Hα-helixtrans-63.6-39.5176.1-71.2173.9000112.3A240 L241 L247 G248A240-L244 WeakPolarHBondContact O-CG 3.39Å; A240-L244 PolarHBondContact O-N 3.21Å; L241-L244 PolarHBondContact O-N 3.28Å; L244-L247 PolarHBondContact O-N 2.94Å; L244-G248 PolarHBondContact O-N 2.96Å
245A97.8Very high95.8Very high63 Ų6386.5 Ų86.552%0.52149%0.489SS..Hα-helixtrans-63.8-43.2175.600000111.7L241 L242 A243 G248 F249L241-A245 WeakPolarHBondContact O-CB 3.34Å; L241-A245 PolarHBondContact O-N 2.94Å; L242-A245 PolarHBondContact O-N 2.98Å; A243-A245 PolarHBondContact O-N 2.99Å; A245-G248 PolarHBondContact O-N 3.48Å; A245-F249 VanDerWaalsContact O-CB 3.31Å; A245-F249 WeakPolarHBondContact O-CB 3.24Å; A245-F249 PolarHBondContact O-N 2.95Å
246L97.8Very high95.7Very high127 Ų12793 Ų9367%0.66550%0.502SS*.Hα-helixtrans-65.2-41.5176.3-71.2173.5000112.2L242 A243 F249 G250L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.42Å; A243-L246 PolarHBondContact O-N 3.31Å; L246-F249 PolarHBondContact O-N 3.32Å; L246-G250 PolarHBondContact O-N 2.81Å
247L96.9Very high95.6Very high113 Ų11396.9 Ų96.959%0.59251%0.507SS*.Hα-helixtrans-63.8-45.2174-71.4173.1000111.4A243 L244 G250 L251A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.46Å; L244-L247 PolarHBondContact O-N 2.94Å; L247-G250 PolarHBondContact O-N 3.27Å; L247-L251 WeakPolarHBondContact O-CB 3.31Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.28Å
248G96.4Very high95Very high39 Ų3995.9 Ų95.940%0.40251%0.513SS..Hα-helixtrans-60.6-45.6176.400000112.2L244 A245 L251 W252L244-G248 PolarHBondContact O-N 2.96Å; A245-G248 PolarHBondContact O-N 3.48Å; G248-L251 PolarHBondContact O-N 3.48Å; G248-W252 WeakPolarHBondContact O-CB 3.23Å; G248-W252 PolarHBondContact O-N 3.48Å
249F96.4Very high94.5Very high124 Ų12499.2 Ų99.254%0.54452%0.521SS..Hα-helixtrans-64.5-43.4175.3-177.5-98.2000111.9A245 L246 L251 W252 Y253A245-F249 VanDerWaalsContact O-CB 3.31Å; A245-F249 WeakPolarHBondContact O-CB 3.24Å; A245-F249 PolarHBondContact O-N 2.95Å; L246-F249 PolarHBondContact O-N 3.32Å; F249-L251 PolarHBondContact O-N 2.91Å; F249-W252 HydrophobicContact CD2-CE3 4.05Å; F249-W252 HydrophobicContact CD2-CZ3 4.34Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CZ-CE3 4.46Å; F249-W252 HydrophobicContact CZ-CZ3 4.17Å; F249-W252 PolarHBondContact O-N 3.39Å; F249-Y253 VanDerWaalsContact O-CB 3.24Å; F249-Y253 WeakPolarHBondContact O-CB 3.5Å; F249-Y253 PolarHBondContact O-N 3.33Å
250G95.4Very high93.7Very high36 Ų3698 Ų9837%0.37151%0.51SS..Hα-helixtrans-59.7-44.717600000112.1L246 L247 Y253 A254L246-G250 PolarHBondContact O-N 2.81Å; L247-G250 PolarHBondContact O-N 3.27Å; G250-Y253 PolarHBondContact O-N 3.44Å; G250-A254 VanDerWaalsContact O-CB 3.23Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 3.39Å
251L93.8Very high92.5Very high90 Ų90101.1 Ų101.147%0.47153%0.526SS..Hα-helixtrans-64.5-44.1174.4-72.3173.5000112L247 G248 F249 A254 R255 L260L247-L251 WeakPolarHBondContact O-CB 3.31Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.28Å; G248-L251 PolarHBondContact O-N 3.48Å; F249-L251 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 3.16Å; L251-R255 WeakPolarHBondContact O-CG 3.33Å; L251-R255 PolarHBondContact O-N 2.78Å; L251-L260 HydrophobicContact CD2-CD1 4.32Å
252W94.1Very high90.9Very high126 Ų126105.7 Ų105.748%0.47754%0.541SS..Hα-helixtrans-60.2-46.2175.8172.586.9000111.6G248 F249 R255 R256G248-W252 WeakPolarHBondContact O-CB 3.23Å; G248-W252 PolarHBondContact O-N 3.48Å; F249-W252 HydrophobicContact CD2-CE3 4.05Å; F249-W252 HydrophobicContact CD2-CZ3 4.34Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CZ-CE3 4.46Å; F249-W252 HydrophobicContact CZ-CZ3 4.17Å; F249-W252 PolarHBondContact O-N 3.39Å; W252-R255 PolarHBondContact O-N 2.82Å; W252-R256 VanDerWaalsContact CH2-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CB 3.38Å; W252-R256 PolarHBondContact O-N 2.88Å
253Y95.3Very high89.2Confident104 Ų104110.6 Ų110.641%0.40856%0.558SS.*Hα-helixtrans-61.7-46.2177.5-176.9-93.7000111.1F249 G250 R255 R256 K257 Y259F249-Y253 VanDerWaalsContact O-CB 3.24Å; F249-Y253 WeakPolarHBondContact O-CB 3.5Å; F249-Y253 PolarHBondContact O-N 3.33Å; G250-Y253 PolarHBondContact O-N 3.44Å; Y253-R255 PolarHBondContact O-N 3.38Å; Y253-R256 PolarHBondContact O-N 2.84Å; Y253-R256 VanDerWaalsContact O-N 3.16Å; Y253-K257 HydrophobicContact CD1-CG 4.48Å; Y253-K257 HydrophobicContact CE1-CG 3.98Å; Y253-K257 HydrophobicContact CE2-CG 4.33Å; Y253-K257 PolarHBondContact O-N 2.85Å; Y253-Y259 HydrophobicContact CE1-CE2 4.13Å
254A91.5Very high86.9Confident19 Ų19113.9 Ų113.916%0.15758%0.579CS.*Hα-helixtrans-62.7-38.8177.400000112.6G250 L251 G258 Y259 L260G250-A254 VanDerWaalsContact O-CB 3.23Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 3.39Å; L251-A254 PolarHBondContact O-N 3.16Å; A254-G258 PolarHBondContact O-N 2.95Å; A254-Y259 PolarHBondContact O-N 2.89Å; A254-L260 HydrophobicContact CB-CD1 3.89Å; A254-L260 HydrophobicContact CB-CG 3.93Å
255R87.3Confident84.9Confident184 Ų184112.3 Ų112.369%0.69458%0.582SS**Hα-helixtrans-62.3-46.6171.5-73.8-176-177.3149.11.6111.2L251 W252 Y253 K257 G258 L260L251-R255 WeakPolarHBondContact O-CG 3.33Å; L251-R255 PolarHBondContact O-N 2.78Å; W252-R255 PolarHBondContact O-N 2.82Å; Y253-R255 PolarHBondContact O-N 3.38Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-K257 PolarHBondContact O-N 3.45Å; R255-G258 PolarHBondContact O-N 3.44Å; R255-L260 HydrophobicContact CG-CD1 3.55Å
256R91.6Very high82.9Confident187 Ų187114.8 Ų114.871%0.70660%0.596SS**Hα-helixtrans-65.2-35.7-177.3-171.4175.2-178.7175.90.6112.8W252 Y253W252-R256 VanDerWaalsContact CH2-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CB 3.38Å; W252-R256 PolarHBondContact O-N 2.88Å; Y253-R256 PolarHBondContact O-N 2.84Å; Y253-R256 VanDerWaalsContact O-N 3.16Å
257K92Very high80.5Confident124 Ų124117.4 Ų117.454%0.53961%0.605SS.*THydrogen-bonded Turntrans-87.8-0.6178.5-73.1-69.7-172.3175.10114.4Y253 R255 Y259Y253-K257 HydrophobicContact CD1-CG 4.48Å; Y253-K257 HydrophobicContact CE1-CG 3.98Å; Y253-K257 HydrophobicContact CE2-CG 4.33Å; Y253-K257 PolarHBondContact O-N 2.85Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-K257 PolarHBondContact O-N 3.45Å; K257-Y259 VanDerWaalsContact C-N 3.32Å; K257-Y259 HydrophobicContact CB-CD2 3.66Å; K257-Y259 HydrophobicContact CB-CE1 4.43Å; K257-Y259 HydrophobicContact CB-CE2 3.37Å; K257-Y259 HydrophobicContact CB-CG 4.3Å; K257-Y259 HydrophobicContact CG-CE2 3.99Å
258G84.6Confident78.2Confident59 Ų59117.8 Ų117.861%0.60861%0.614SS**THydrogen-bonded Turntrans75.117.6177.900000114.5A254 R255 L260A254-G258 PolarHBondContact O-N 2.95Å; R255-G258 PolarHBondContact O-N 3.44Å; G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 PolarHBondContact O-N 2.9Å
259Y86.8Confident76.1Confident159 Ų159125.4 Ų125.462%0.62464%0.636SS**  trans-75.4-16.7177.3-59.8-44.3000113.2Y253 A254 K257Y253-Y259 HydrophobicContact CE1-CE2 4.13Å; A254-Y259 PolarHBondContact O-N 2.89Å; K257-Y259 VanDerWaalsContact C-N 3.32Å; K257-Y259 HydrophobicContact CB-CD2 3.66Å; K257-Y259 HydrophobicContact CB-CE1 4.43Å; K257-Y259 HydrophobicContact CB-CE2 3.37Å; K257-Y259 HydrophobicContact CB-CG 4.3Å; K257-Y259 HydrophobicContact CG-CE2 3.99Å
260L80.3Confident73.8Confident73 Ų73125 Ų12538%0.38265%0.646SS.*SBendtrans-96.8124.7175.7-70.1168.6000109.9L251 A254 R255 G258L251-L260 HydrophobicContact CD2-CD1 4.32Å; A254-L260 HydrophobicContact CB-CD1 3.89Å; A254-L260 HydrophobicContact CB-CG 3.93Å; R255-L260 HydrophobicContact CG-CD1 3.55Å; G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 PolarHBondContact O-N 2.9Å
261P73.6Confident71.5Confident119 Ų119128.7 Ų128.777%0.77367%0.666SS**PPolyproline II helixtrans-61.9138.5179.324.5-32.3000110.5K263P261-K263 PolarHBondContact O-N 3.44Å
262K63.6Low69.6Low205 Ų205130.8 Ų130.889%0.89168%0.682SS**PPolyproline II helixtrans-59.3128.2170.6-70.2-178.2-179.8178.80107.8S264K262-S264 PolarHBondContact O-N 2.94Å
263K63.3Low67.5Low210 Ų210130.8 Ų130.891%0.91370%0.695SS**  trans-54.8115.1168.2-98.3-173.3173.9-176.10107.5P261 A265P261-K263 PolarHBondContact O-N 3.44Å; K263-A265 PolarHBondContact O-N 3.2Å
264S49.2Very low65.2Low116 Ų116136.2 Ų136.281%0.81172%0.717SS**PPolyproline II helixtrans-62.5121170.1-175.80000107.8K262 S266K262-S264 PolarHBondContact O-N 2.94Å; S264-S266 PolarHBondContact O-N 3.27Å
265A54.7Low62.8Low82 Ų82143.3 Ų143.368%0.67875%0.747SS**PPolyproline II helixtrans-60.3133.9168.500000108.2K263 Q267K263-A265 PolarHBondContact O-N 3.2Å; A265-Q267 PolarHBondContact O-N 3.44Å
266S56Low60.9Low115 Ų115140 Ų14080%0.80475%0.749SS**PPolyproline II helixtrans-47.7125.5172.354.40000110.4S264S264-S266 PolarHBondContact O-N 3.27Å
267Q47.1Very low58.2Low182 Ų182137.9 Ų137.985%0.8576%0.757SS**PPolyproline II helixtrans-67.6142.3172.6-73.3-147-38.700111A265A265-Q267 PolarHBondContact O-N 3.44Å
268P48.8Very low56.1Low121 Ų121137.3 Ų137.379%0.78677%0.769SS**PPolyproline II helixtrans-70.3136.1177.627.8-31000111
269K53.7Low53.9Low199 Ų199144 Ų14487%0.86578%0.784SS**PPolyproline II helixtrans-62.6133172.7-153.9176.5-172.9-177.70108.9S271K269-S271 PolarHBondContact O-N 2.94Å
270P47.4Very low51.8Low116 Ų116146.9 Ų146.975%0.75380%0.795SS**PPolyproline II helixtrans-65.6137.3-179.224.4-31.6000111.3V272P270-V272 PolarHBondContact O-N 3.32Å
271S47.5Very low49.8Very low113 Ų113146 Ų14679%0.7980%0.804SS**  trans-63.7114.6-179.441.30000111.7K269K269-S271 PolarHBondContact O-N 2.94Å
272V54.2Low48.2Very low134 Ų134147 Ų14781%0.81280%0.802SS**  trans-80.9114.9162.4178.40000107.2P270P270-V272 PolarHBondContact O-N 3.32Å
273V48.4Very low47.2Very low125 Ų125145.5 Ų145.576%0.75880%0.799SS**  trans-71122.1170175.20000107.9
274Y47.7Very low46.3Very low219 Ų219143.3 Ų143.386%0.85979%0.792SS**  trans-129.6122.9159.8-137.2-94.2000108.7
275Q40.3Very low46Very low168 Ų168145.3 Ų145.379%0.78579%0.793SS**  trans-81.4162.2173-97.5-176.9-24.700110.7
276P48.5Very low45.1Very low115 Ų115144.9 Ų144.975%0.74780%0.797SS**  trans-95.7153.8-141.336.4-34.4000113.5
277T34.2Very low44.2Very low142 Ų142147.7 Ų147.787%0.87180%0.797SS**  trans-125.1118.4151.6430000108.5
278S47.7Very low43.8Very low112 Ų112148.9 Ų148.978%0.78380%0.8SS**  trans-61.6128.2167.150.90000110.2
279E40Very low43.1Very low200 Ų200152.1 Ų152.194%0.93580%0.802SS**  trans-160.5151.3141.3-126.5165.4169.600112.4
280Y42.4Very low42.5Very low219 Ų219152 Ų15286%0.85980%0.804SS**  trans-81.7162.7-166.8-163.1-90.5000111.2
281G38.1Very low42Very low54 Ų54156.5 Ų156.556%0.55781%0.812SS**  trans117.9106.2165.900000112.5
282D38.6Very low41.5Very low139 Ų139156.3 Ų156.374%0.74381%0.811SS**  93.4109.976.7-72.6-25000110.8
283E43.8Very low40.7Very low175 Ų175155 Ų15582%0.81881%0.808SS**  55.4144.9128.4-121.1164.5-167.200123.5
284E43.8Very low40.3Very low163 Ų163158.6 Ų158.676%0.76281%0.813SS**  trans89.9111.3155.2-61.8-161.2161.700121.7
285D42.6Very low40.2Very low158 Ų158154 Ų15485%0.84581%0.808SS**  40.8127.7119-62.9-7000120.5
286G36.7Very low40.9Very low73 Ų73156 Ų15675%0.75383%0.831SS**  trans163.790.9160.200000118.1
287E36.8Very low40.5Very low174 Ų174158 Ų15881%0.81384%0.835SS**  60.1114.4125.3-150.2175.9170.200121.3
288F38.1Very low40.9Very low208 Ų208158.8 Ų158.891%0.91283%0.833SS**  trans-74.7122.1168.5-118.2-101.8000111.3
289K35.6Very low40.5Very low188 Ų188161.4 Ų161.482%0.81784%0.836SS**  trans-105.9117.4163.4-86.2-175.6178.7172.70112.1
290Q41.1Very low40.5Very low196 Ų196159.2 Ų159.292%0.91683%0.83SS**  trans-77131.2171.8-170.2174.89.600110.1
291K35.5Very low40.4Very low211 Ų211155.4 Ų155.492%0.91783%0.828SS**  trans-111.1111.1175-140.7176.7-173.1-178.30109.8
292S38.7Very low40.6Very low110 Ų110162.2 Ų162.277%0.76985%0.846SS**  trans-91.1138.3168.2-177.20000109.1
293S36.7Very low40.7Very low106 Ų106163.9 Ų163.974%0.74185%0.854SS**  trans-118109.9177.7166.30000108.7
294F40.6Very low40.5Very low200 Ų200163 Ų16388%0.87786%0.857SS**  trans-86.1135.1165-128-96.1000108.4
295V44.8Very low40.2Very low124 Ų124163 Ų16375%0.75286%0.864SS**  trans-100.5134.6170.5178.90000107.7
296V55.3Low40Very low208 Ų208163.5 Ų163.5100%1.26187%0.866SS**  trans-63.90-179.2178.90000111.9

Retrieved 296 of 296 residues in 652.3 ms (Link to these results)