A0A087YIR8_POEFO Loading...

Synaptotagmin X

AlphaFold DB , UniProt , Accession A0A087YIR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 541 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
1M36.7Very low32.9Very low243 Ų243151.7 Ų151.7100%1.19787%0.873SS**  0135.70-80.3170.6164.600108.5
2N30.5Very low32.4Very low159 Ų159154.3 Ų154.385%0.8587%0.871SS**  trans-78.1140.3-178.8-69-19.1000111.8
3R31.6Very low32Very low254 Ų254161.2 Ų161.296%0.95888%0.875SS**  trans-133.9119.4151.6-73.5-167.5174.9-163.5-0.9108.5
4R30.4Very low31.7Very low235 Ų235162.1 Ų162.189%0.88788%0.878SS**PPolyproline II helixtrans-88.1145.8170.4-63177.3178.3170.4-2108.9
5P37.9Very low31.4Very low121 Ų121161.1 Ų161.179%0.78687%0.872SS**PPolyproline II helixtrans-71.4159.4157.332.7-33.4000110.4
6P39.5Very low31.5Very low127 Ų127165.8 Ų165.883%0.82587%0.873SS**PPolyproline II helixtrans-93.1146.6-172.235.3-34.8000115
7G31.8Very low31.8Very low79 Ų79168.9 Ų168.981%0.81487%0.871SS**  trans57.495.7137.600000119.9
8S29.6Very low32.1Very low124 Ų124168.1 Ų168.187%0.86787%0.868SS**PPolyproline II helixtrans-76.3125.8154.2490000110.8
9S34.1Very low32.1Very low120 Ų120168.3 Ų168.384%0.83987%0.867SS**PPolyproline II helixtrans-71.8137.4161.441.10000109.5
10G28.4Very low32.2Very low77 Ų77166 Ų16679%0.79487%0.866SS**PPolyproline II helixtrans-81.8126.6-171.300000113.4Q12G10-Q12 PolarHBondContact O-N 3.48Å
11V31.2Very low32.4Very low130 Ų130161.8 Ų161.879%0.78885%0.847SS**  trans-78.8115.3161.2178.90000108
12Q27.5Very low32.5Very low182 Ų182159.3 Ų159.385%0.8583%0.825SS**  trans-83.9115.1-178.8-164.8171.214.600109.6G10 L14G10-Q12 PolarHBondContact O-N 3.48Å; Q12-L14 PolarHBondContact O-N 2.63Å; Q12-L14 VanDerWaalsContact O-N 3.08Å
13W26.8Very low33Very low244 Ų244155.5 Ų155.592%0.92482%0.815SS**  trans-68106.1179-70.589.1000110.7
14L27.4Very low33.5Very low174 Ų174149.1 Ų149.191%0.91180%0.8SS**  trans-71.4139.4170.5-101.9155.8000110.3Q12Q12-L14 PolarHBondContact O-N 2.63Å; Q12-L14 VanDerWaalsContact O-N 3.08Å
15N27.1Very low34.2Very low148 Ų148141.3 Ų141.379%0.79178%0.776SS**  trans-78.7139-161.7-137.6-18.9000111.9R17N15-R17 PolarHBondContact O-N 3.44Å
16R33.9Very low34.5Very low236 Ų236138 Ų13889%0.89176%0.755SS**SBendtrans-78.682.4179.4-173.9-171.5-82.2-165.8-5.4110.9
17R36.5Very low35Very low219 Ų219137.3 Ų137.383%0.82674%0.744SS**  trans-160.5153.4160.7-121.9163.3-80.8-168.7-4.8109.7N15N15-R17 PolarHBondContact O-N 3.44Å
18D36.7Very low36.3Very low154 Ų154136.4 Ų136.482%0.82472%0.723SS**  trans5883.6177.4-53.1-18.5000117
19M31.7Very low37.6Very low171 Ų171135 Ų13584%0.84271%0.705SS**  trans-134.8101.8146.3-73.6-160.1-57.500109.4V21M19-V21 HydrophobicContact CB-CG2 4.32Å; M19-V21 PolarHBondContact O-N 3.26Å
20S34.5Very low38.4Very low122 Ų122133.1 Ų133.185%0.85369%0.691SS**  trans-81.9106.1160-174.50000107.2
21V35.6Very low39.8Very low78 Ų78135.9 Ų135.947%0.47368%0.683SS.*  trans-84.1120.1-173.1-179.40000108.9M19 D25 L29M19-V21 HydrophobicContact CB-CG2 4.32Å; M19-V21 PolarHBondContact O-N 3.26Å; V21-D25 HydrophobicContact CG1-CB 3.66Å; V21-L29 HydrophobicContact CG1-CD1 4.09Å
22R39.8Very low41.1Very low192 Ų192137.7 Ų137.773%0.72568%0.675SS**  trans-80.5163.2175.6-69.4178.5170.4169.6-4.4110.6D24 D25 S26R22-D24 VanDerWaalsContact C-N 3.28Å; R22-D24 PolarHBondContact O-N 3.23Å; R22-D25 WeakPolarHBondContact CB-OD2 3.5Å; R22-D25 PolarHBondContact N-OD2 3.2Å; R22-D25 WeakPolarHBondContact O-CB 3.42Å; R22-D25 PolarHBondContact O-N 3.39Å; R22-D25 VanDerWaalsContact O-N 3.07Å; R22-S26 PolarHBondContact O-N 3.01Å
23A41Very low42.9Very low79 Ų79131.3 Ų131.365%0.65365%0.654SS**Hα-helixtrans-56.5-41.1-178.500000112.5D25 S26A23-D25 VanDerWaalsContact C-N 3.32Å; A23-D25 PolarHBondContact O-N 3.3Å; A23-S26 WeakPolarHBondContact O-CB 3.36Å; A23-S26 PolarHBondContact O-N 2.99Å; A23-S26 VanDerWaalsContact O-N 3.11Å; A23-S26 PolarHBondContact O-OG 3.41Å
24D42Very low44.7Very low120 Ų120124.3 Ų124.364%0.64263%0.634SS**Hα-helixtrans-63.5-33.9177.3-58.5-52.9000113.3R22 S26 I27 T28R22-D24 VanDerWaalsContact C-N 3.28Å; R22-D24 PolarHBondContact O-N 3.23Å; D24-S26 PolarHBondContact O-N 3.17Å; D24-I27 PolarHBondContact O-N 3.49Å; D24-T28 PolarHBondContact O-N 3.32Å
25D45.5Very low46.6Very low71 Ų71121.8 Ų121.838%0.3862%0.618SS.*Hα-helixtrans-63.1-30.2176.3-63.2-49.3000111V21 R22 A23 I27 T28 L29V21-D25 HydrophobicContact CG1-CB 3.66Å; R22-D25 WeakPolarHBondContact CB-OD2 3.5Å; R22-D25 PolarHBondContact N-OD2 3.2Å; R22-D25 WeakPolarHBondContact O-CB 3.42Å; R22-D25 PolarHBondContact O-N 3.39Å; R22-D25 VanDerWaalsContact O-N 3.07Å; A23-D25 VanDerWaalsContact C-N 3.32Å; A23-D25 PolarHBondContact O-N 3.3Å; D25-I27 PolarHBondContact O-N 3.27Å; D25-T28 PolarHBondContact O-N 3.39Å; D25-T28 PolarHBondContact O-OG1 3.09Å; D25-T28 VanDerWaalsContact O-OG1 3.12Å; D25-L29 VanDerWaalsContact O-CB 3.23Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 WeakPolarHBondContact O-CD1 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.48Å; D25-L29 PolarHBondContact O-N 3.09Å
26S44.6Very low48.6Very low50 Ų50119.6 Ų119.635%0.3561%0.605SS.*Hα-helixtrans-65.7-36.7179.778.10000113.1R22 A23 D24 C30R22-S26 PolarHBondContact O-N 3.01Å; A23-S26 WeakPolarHBondContact O-CB 3.36Å; A23-S26 PolarHBondContact O-N 2.99Å; A23-S26 VanDerWaalsContact O-N 3.11Å; A23-S26 PolarHBondContact O-OG 3.41Å; D24-S26 PolarHBondContact O-N 3.17Å; S26-C30 WeakPolarHBondContact O-CB 3.39Å; S26-C30 PolarHBondContact O-N 2.94Å
27I49.9Very low50.1Low113 Ų113109.4 Ų109.458%0.57957%0.569SS**Hα-helixtrans-69.6-46.1177.8-60.5174.7000109.4D24 D25 L29 C30 Q31D24-I27 PolarHBondContact O-N 3.49Å; D25-I27 PolarHBondContact O-N 3.27Å; I27-L29 PolarHBondContact O-N 3.1Å; I27-C30 WeakPolarHBondContact O-CB 3.28Å; I27-C30 PolarHBondContact O-N 3.11Å; I27-Q31 PolarHBondContact O-N 3.22Å
28T59.2Low51.4Low61 Ų61100.8 Ų100.837%0.37454%0.541SS..Hα-helixtrans-69.6-3217968.50000112.6D24 D25 Q31 R32D24-T28 PolarHBondContact O-N 3.32Å; D25-T28 PolarHBondContact O-N 3.39Å; D25-T28 PolarHBondContact O-OG1 3.09Å; D25-T28 VanDerWaalsContact O-OG1 3.12Å; T28-Q31 PolarHBondContact O-N 3.23Å; T28-R32 WeakPolarHBondContact O-CB 3.47Å; T28-R32 VanDerWaalsContact O-CG 3.29Å; T28-R32 WeakPolarHBondContact O-CG 3.31Å; T28-R32 PolarHBondContact O-N 3.34Å
29L56.5Low52.9Low95 Ų9599.4 Ų99.450%0.49753%0.529SS..Hα-helixtrans-63.1-45.4169-85.9162.6000111.8V21 D25 I27 Q31 R32 A33V21-L29 HydrophobicContact CG1-CD1 4.09Å; D25-L29 VanDerWaalsContact O-CB 3.23Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 WeakPolarHBondContact O-CD1 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.48Å; D25-L29 PolarHBondContact O-N 3.09Å; I27-L29 PolarHBondContact O-N 3.1Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.07Å; L29-R32 PolarHBondContact O-N 3.22Å; L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 3.05Å
30C50.2Low54.7Low79 Ų7994.9 Ų94.953%0.53451%0.508SS..Hα-helixtrans-61.5-42.3176.8-168.80000111.6S26 I27 A33 L34S26-C30 WeakPolarHBondContact O-CB 3.39Å; S26-C30 PolarHBondContact O-N 2.94Å; I27-C30 WeakPolarHBondContact O-CB 3.28Å; I27-C30 PolarHBondContact O-N 3.11Å; C30-A33 PolarHBondContact O-N 3.36Å; C30-L34 PolarHBondContact O-N 3.3Å
31Q58Low56Low136 Ų13689.9 Ų89.964%0.63647%0.473SS*.Hα-helixtrans-66.9-41.3178.4-160.717218.300112I27 T28 L29 L34 Q35I27-Q31 PolarHBondContact O-N 3.22Å; T28-Q31 PolarHBondContact O-N 3.23Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.07Å; Q31-L34 PolarHBondContact O-N 3.41Å; Q31-Q35 PolarHBondContact O-N 2.86Å; Q31-Q35 VanDerWaalsContact O-N 3.08Å
32R58.4Low57.4Low167 Ų16792.6 Ų92.663%0.6348%0.484SS*.Hα-helixtrans-64.7-40.2172.8-74.9174.1177.7176.62.3112.5T28 L29 Q35 I36T28-R32 WeakPolarHBondContact O-CB 3.47Å; T28-R32 VanDerWaalsContact O-CG 3.29Å; T28-R32 WeakPolarHBondContact O-CG 3.31Å; T28-R32 PolarHBondContact O-N 3.34Å; L29-R32 PolarHBondContact O-N 3.22Å; R32-Q35 PolarHBondContact O-N 3.25Å; R32-I36 WeakPolarHBondContact O-CG1 3.35Å; R32-I36 PolarHBondContact O-N 2.85Å
33A65.3Low58.9Low48 Ų4886.5 Ų86.540%0.39748%0.475SS..Hα-helixtrans-63.4-43.2176.600000111.6L29 C30 Q35 I36 V37L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 3.05Å; C30-A33 PolarHBondContact O-N 3.36Å; A33-Q35 VanDerWaalsContact C-N 3.3Å; A33-Q35 PolarHBondContact O-N 3.16Å; A33-I36 PolarHBondContact O-N 3.33Å; A33-V37 WeakPolarHBondContact O-CG2 3.42Å; A33-V37 PolarHBondContact O-N 3.38Å
34L65.4Low59.6Low98 Ų9885.6 Ų85.651%0.51347%0.473SS..Hα-helixtrans-60.2-40.5174.4-166.476.3000111.6C30 Q31 V37 T38 I54C30-L34 PolarHBondContact O-N 3.3Å; Q31-L34 PolarHBondContact O-N 3.41Å; L34-V37 PolarHBondContact O-N 3.24Å; L34-T38 WeakPolarHBondContact O-CB 3.2Å; L34-T38 PolarHBondContact O-N 3.22Å; L34-T38 PolarHBondContact O-OG1 2.97Å; L34-I54 HydrophobicContact CD1-CG2 4.35Å
35Q65.8Low60.6Low120 Ų12087.1 Ų87.156%0.56148%0.476SS*.Hα-helixtrans-67.9-39.1177.8-169.6169.3-500112.6Q31 R32 A33 T38 E39Q31-Q35 PolarHBondContact O-N 2.86Å; Q31-Q35 VanDerWaalsContact O-N 3.08Å; R32-Q35 PolarHBondContact O-N 3.25Å; A33-Q35 VanDerWaalsContact C-N 3.3Å; A33-Q35 PolarHBondContact O-N 3.16Å; Q35-T38 WeakPolarHBondContact O-CB 3.25Å; Q35-T38 PolarHBondContact O-N 3.07Å; Q35-E39 PolarHBondContact O-N 3.49Å
36I70.8Confident61.2Low102 Ų10286.8 Ų86.852%0.52348%0.477SS..Hα-helixtrans-65.6-44.1174.6-68.6163.2000111.1R32 A33 T38 E39 L40R32-I36 WeakPolarHBondContact O-CG1 3.35Å; R32-I36 PolarHBondContact O-N 2.85Å; A33-I36 PolarHBondContact O-N 3.33Å; I36-T38 VanDerWaalsContact C-N 3.27Å; I36-T38 PolarHBondContact O-N 2.92Å; I36-E39 PolarHBondContact O-N 2.87Å; I36-L40 HydrophobicContact CG2-CD1 3.97Å; I36-L40 WeakPolarHBondContact O-CG 3.03Å; I36-L40 PolarHBondContact O-N 2.82Å
37V64.8Low61.8Low22 Ų2289 Ų8913%0.13348%0.484CS..Hα-helixtrans-61-39.2173.5171.60000110.9A33 L34 L40 C41 I54 F537A33-V37 WeakPolarHBondContact O-CG2 3.42Å; A33-V37 PolarHBondContact O-N 3.38Å; L34-V37 PolarHBondContact O-N 3.24Å; V37-L40 PolarHBondContact O-N 2.63Å; V37-C41 PolarHBondContact O-N 2.92Å; V37-C41 PolarHBondContact O-SG 2.93Å; V37-I54 HydrophobicContact CG1-CD1 4.11Å; V37-I54 HydrophobicContact CG1-CG2 4.25Å; V37-F537 HydrophobicContact CG2-CE2 3.98Å; V37-F537 HydrophobicContact CG2-CZ 3.76Å
38T64.4Low61.8Low38 Ų3893.9 Ų93.923%0.23350%0.495CS..Hα-helixtrans-59.5-50.4175.5-60.60000111.5L34 Q35 I36 L40 C41 L42 F55L34-T38 WeakPolarHBondContact O-CB 3.2Å; L34-T38 PolarHBondContact O-N 3.22Å; L34-T38 PolarHBondContact O-OG1 2.97Å; Q35-T38 WeakPolarHBondContact O-CB 3.25Å; Q35-T38 PolarHBondContact O-N 3.07Å; I36-T38 VanDerWaalsContact C-N 3.27Å; I36-T38 PolarHBondContact O-N 2.92Å; T38-L40 PolarHBondContact O-N 2.76Å; T38-C41 PolarHBondContact O-N 3.08Å; T38-L42 HydrophobicContact CG2-CD1 3.77Å; T38-L42 HydrophobicContact CG2-CG 4.46Å; T38-L42 WeakPolarHBondContact O-CB 3.33Å; T38-L42 VanDerWaalsContact O-CG 3.26Å; T38-L42 WeakPolarHBondContact O-CG 3.27Å; T38-L42 PolarHBondContact O-N 2.94Å; T38-F55 HydrophobicContact CG2-CE1 3.82Å; T38-F55 HydrophobicContact CG2-CZ 4.18Å
39E68.2Low61.6Low126 Ų12699.8 Ų99.859%0.58952%0.519SS*.Hα-helixtrans-64-37.1177.5-71.9-170.6176.200112.7Q35 I36 L42 A43Q35-E39 PolarHBondContact O-N 3.49Å; I36-E39 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 3.39Å; E39-A43 WeakPolarHBondContact O-CB 3.24Å; E39-A43 PolarHBondContact O-N 3.26Å
40L68.3Low61.4Low76 Ų76101.8 Ų101.840%0.39852%0.524SS..Hα-helixtrans-68.1-39.2178-71.4170.1000113.3I36 V37 T38 H45 V46I36-L40 HydrophobicContact CG2-CD1 3.97Å; I36-L40 WeakPolarHBondContact O-CG 3.03Å; I36-L40 PolarHBondContact O-N 2.82Å; V37-L40 PolarHBondContact O-N 2.63Å; T38-L40 PolarHBondContact O-N 2.76Å; L40-H45 PolarHBondContact O-N 2.79Å; L40-V46 HydrophobicContact CB-CG2 4.27Å
41C63.2Low61.4Low16 Ų1698.2 Ų98.211%0.10850%0.499CS..Hα-helixtrans-69.2-35.9172.4-66.60000111.7V37 T38 G44 C51 F55V37-C41 PolarHBondContact O-N 2.92Å; V37-C41 PolarHBondContact O-SG 2.93Å; T38-C41 PolarHBondContact O-N 3.08Å; C41-G44 PolarHBondContact O-N 3.49Å; C41-C51 HydrophobicContact CB-CB 3.88Å; C41-C51 WeakPolarHBondContact CB-SG 3.45Å; C41-C51 WeakPolarHBondContact SG-CB 3.36Å; C41-C51 CovalentContact SG-SG 2.05Å; C41-C51 PolarHBondContact SG-SG 3.1Å; C41-F55 HydrophobicContact CB-CE2 4.11Å; C41-F55 HydrophobicContact CB-CZ 4.2Å
42L63.8Low61Low136 Ų13694.5 Ų94.571%0.71249%0.492SS*.Hα-helixtrans-72.5-34.9176.7-73.8171000113.2T38 E39 G44T38-L42 HydrophobicContact CG2-CD1 3.77Å; T38-L42 HydrophobicContact CG2-CG 4.46Å; T38-L42 WeakPolarHBondContact O-CB 3.33Å; T38-L42 VanDerWaalsContact O-CG 3.26Å; T38-L42 WeakPolarHBondContact O-CG 3.27Å; T38-L42 PolarHBondContact O-N 2.94Å; E39-L42 PolarHBondContact O-N 3.39Å; L42-G44 PolarHBondContact O-N 3.41Å
43A71.2Confident60.6Low64 Ų6493.9 Ų93.953%0.52950%0.501SS..THydrogen-bonded Turntrans-73.6-3.817600000113.7E39 H45E39-A43 WeakPolarHBondContact O-CB 3.24Å; E39-A43 PolarHBondContact O-N 3.26Å; A43-H45 VanDerWaalsContact C-N 3.31Å; A43-H45 PolarHBondContact O-N 3.02Å
44G56.3Low59.9Low60 Ų6095 Ų9562%0.61950%0.5SS*.THydrogen-bonded Turntrans74.117.6179.100000114.5C41 L42 V46C41-G44 PolarHBondContact O-N 3.49Å; L42-G44 PolarHBondContact O-N 3.41Å; G44-V46 VanDerWaalsContact C-N 3.29Å
45H63.7Low59Low151 Ų15194.4 Ų94.470%0.69949%0.493SS*.SBendtrans-83.3-3.4176.2-69.4-51.9000113.6L40 A43L40-H45 PolarHBondContact O-N 2.79Å; A43-H45 VanDerWaalsContact C-N 3.31Å; A43-H45 PolarHBondContact O-N 3.02Å
46V57.8Low57.7Low65 Ų6592.9 Ų92.939%0.39449%0.494SS..SBendtrans-137.6141.3-179.8-171.50000109.5L40 G44 R48 C51L40-V46 HydrophobicContact CB-CG2 4.27Å; G44-V46 VanDerWaalsContact C-N 3.29Å; V46-R48 PolarHBondContact O-N 2.77Å; V46-C51 VanDerWaalsContact CG1-SG 3.59Å
47D56.6Low56.2Low96 Ų9694.7 Ų94.751%0.51350%0.504SS..  trans-58.2119.7177.1-72.6-47.3000111.5E49 K50 C51D47-E49 PolarHBondContact O-N 2.92Å; D47-E49 VanDerWaalsContact O-N 3.13Å; D47-K50 HydrophobicContact CB-CB 4.38Å; D47-K50 HydrophobicContact CB-CD 4Å; D47-K50 HydrophobicContact CB-CG 4.09Å; D47-K50 WeakPolarHBondContact O-CB 3.35Å; D47-K50 PolarHBondContact O-N 3.21Å; D47-K50 WeakPolarHBondContact OD2-CE 3.5Å; D47-K50 IonicContact OD2-NZ 3.96Å; D47-K50 PolarHBondContact OD2-NZ 3.1Å; D47-C51 PolarHBondContact O-N 2.86Å
48R50.3Low55.1Low215 Ų21599.9 Ų99.981%0.81153%0.527SS*.Hα-helixtrans-60.3-28.8-175.9-159.8179.173-1762.9113.4V46 K50 C51 A52V46-R48 PolarHBondContact O-N 2.77Å; R48-K50 VanDerWaalsContact C-N 3.3Å; R48-K50 PolarHBondContact O-N 2.96Å; R48-C51 PolarHBondContact O-N 3.22Å; R48-A52 PolarHBondContact O-N 3.11Å
49E54.5Low53.7Low185 Ų185102.3 Ų102.386%0.86455%0.545SS*.Hα-helixtrans-70.1-25.1175.7-61.7-172.4166.600112.9D47D47-E49 PolarHBondContact O-N 2.92Å; D47-E49 VanDerWaalsContact O-N 3.13Å
50K53.4Low52.4Low138 Ų13898.6 Ų98.660%0.653%0.533SS*.Hα-helixtrans-84.7-27.8173.2-61.5175.3-171.4150.90112.1D47 R48 A52D47-K50 HydrophobicContact CB-CB 4.38Å; D47-K50 HydrophobicContact CB-CD 4Å; D47-K50 HydrophobicContact CB-CG 4.09Å; D47-K50 WeakPolarHBondContact O-CB 3.35Å; D47-K50 PolarHBondContact O-N 3.21Å; D47-K50 WeakPolarHBondContact OD2-CE 3.5Å; D47-K50 IonicContact OD2-NZ 3.96Å; D47-K50 PolarHBondContact OD2-NZ 3.1Å; R48-K50 VanDerWaalsContact C-N 3.3Å; R48-K50 PolarHBondContact O-N 2.96Å; K50-A52 VanDerWaalsContact C-N 3.29Å
51C49.5Very low51.3Low3 Ų399.7 Ų99.72%0.0254%0.538CS..Hα-helixtrans-75.9-12.7172.5-58.60000113.7C41 V46 D47 R48 D53 I54 F55C41-C51 HydrophobicContact CB-CB 3.88Å; C41-C51 WeakPolarHBondContact CB-SG 3.45Å; C41-C51 WeakPolarHBondContact SG-CB 3.36Å; C41-C51 CovalentContact SG-SG 2.05Å; C41-C51 PolarHBondContact SG-SG 3.1Å; V46-C51 VanDerWaalsContact CG1-SG 3.59Å; D47-C51 PolarHBondContact O-N 2.86Å; R48-C51 PolarHBondContact O-N 3.22Å; C51-D53 VanDerWaalsContact C-N 3.32Å; C51-D53 PolarHBondContact O-N 2.99Å; C51-I54 WeakPolarHBondContact O-CB 3.4Å; C51-I54 PolarHBondContact O-N 2.8Å; C51-F55 HydrophobicContact CB-CE2 4.08Å; C51-F55 WeakPolarHBondContact O-CD2 3.5Å
52A50.2Low50.3Low59 Ų59106 Ų10649%0.48857%0.566SS.*THydrogen-bonded Turntrans-60.3-35.2-170.200000114.4R48 K50 I54R48-A52 PolarHBondContact O-N 3.11Å; K50-A52 VanDerWaalsContact C-N 3.29Å; A52-I54 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 3.1Å
53D49.6Very low49.3Very low154 Ų154105.1 Ų105.182%0.82456%0.562SS**THydrogen-bonded Turntrans-80.4-6.6178.1-74.2-16.1000113.8C51C51-D53 VanDerWaalsContact C-N 3.32Å; C51-D53 PolarHBondContact O-N 2.99Å
54I51Low48.5Very low72 Ų72106.8 Ų106.837%0.36956%0.561SS.*THydrogen-bonded Turntrans-88.2-32.1-177.4-56.9179.4000111.1L34 V37 C51 A52 P56L34-I54 HydrophobicContact CD1-CG2 4.35Å; V37-I54 HydrophobicContact CG1-CD1 4.11Å; V37-I54 HydrophobicContact CG1-CG2 4.25Å; C51-I54 WeakPolarHBondContact O-CB 3.4Å; C51-I54 PolarHBondContact O-N 2.8Å; A52-I54 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 3.1Å; I54-P56 WeakPolarHBondContact O-CD 3.44Å
55F45.4Very low48.6Very low85 Ų85106.7 Ų106.737%0.37355%0.551SS.*SBendtrans-90.9116.5178.7-63.4-74.4000110.7T38 C41 C51T38-F55 HydrophobicContact CG2-CE1 3.82Å; T38-F55 HydrophobicContact CG2-CZ 4.18Å; C41-F55 HydrophobicContact CB-CE2 4.11Å; C41-F55 HydrophobicContact CB-CZ 4.2Å; C51-F55 HydrophobicContact CB-CE2 4.08Å; C51-F55 WeakPolarHBondContact O-CD2 3.5Å
56P39.6Very low48.4Very low87 Ų87104.6 Ų104.657%0.56554%0.544SS*.  trans-59.7152.7156.529.1-33.6000108.9I54 E58I54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-E58 PolarHBondContact O-N 2.9Å
57L38.4Very low48.8Very low140 Ų140104.8 Ų104.873%0.73355%0.548SS*.  trans-75.367.9177.6-16869.8000110.7S59 S60L57-S59 PolarHBondContact O-N 2.74Å; L57-S60 PolarHBondContact O-N 2.74Å
58E41Very low49.5Very low132 Ų132105.5 Ų105.562%0.61755%0.551SS**THydrogen-bonded Turntrans-76.115-172.8-160.8125.7-133.500113.4P56 S60P56-E58 PolarHBondContact O-N 2.9Å; E58-S60 VanDerWaalsContact C-N 3.29Å
59S35.7Very low50.4Low88 Ų88100.8 Ų100.862%0.61554%0.541SS*.THydrogen-bonded Turntrans-85.15.4165.656.40000113.7L57L57-S59 PolarHBondContact O-N 2.74Å
60S40.9Very low51.4Low49 Ų4995 Ų9534%0.34353%0.525SS..SBendtrans-121.6-24.6-176.2-168.50000114.9L57 E58 I64L57-S60 PolarHBondContact O-N 2.74Å; E58-S60 VanDerWaalsContact C-N 3.29Å; S60-I64 WeakPolarHBondContact O-CB 3.16Å; S60-I64 VanDerWaalsContact O-CG1 3.27Å; S60-I64 WeakPolarHBondContact O-CG1 3.45Å; S60-I64 PolarHBondContact O-N 2.62Å; S60-I64 VanDerWaalsContact OG-CD1 3.28Å; S60-I64 WeakPolarHBondContact OG-CD1 3.42Å
61I44.8Very low52.7Low98 Ų9892.8 Ų92.850%0.50352%0.523SS..Hα-helixtrans-74-36.1-171.8-60179.4000112.3S65I61-S65 VanDerWaalsContact O-CB 3.32Å; I61-S65 WeakPolarHBondContact O-CB 3.36Å; I61-S65 PolarHBondContact O-N 2.97Å; I61-S65 PolarHBondContact O-OG 2.91Å
62Q42.8Very low54.2Low149 Ų14996.2 Ų96.270%0.69654%0.544SS*.Hα-helixtrans-66.1-47.7173.7-76.2-172.2-21.700111.5I64 S65 I66Q62-I64 PolarHBondContact O-N 3.28Å; Q62-S65 PolarHBondContact O-N 3.36Å; Q62-S65 PolarHBondContact O-OG 2.86Å; Q62-S65 VanDerWaalsContact O-OG 3.08Å; Q62-I66 WeakPolarHBondContact O-CB 3.46Å; Q62-I66 VanDerWaalsContact O-CG1 3.24Å; Q62-I66 WeakPolarHBondContact O-CG1 3.38Å; Q62-I66 PolarHBondContact O-N 2.76Å
63D43.1Very low55.9Low117 Ų11798.1 Ų98.163%0.62655%0.549SS*.Hα-helixtrans-63.6-40.6178.5-73.9-17.9000112.5S67D63-S67 WeakPolarHBondContact O-CB 3.2Å; D63-S67 PolarHBondContact O-N 2.88Å
64I54.6Low57.6Low100 Ų10092.5 Ų92.551%0.51353%0.527SS..Hα-helixtrans-66.3-43.7175.7-70.1171000111.3S60 Q62 S67 L68S60-I64 WeakPolarHBondContact O-CB 3.16Å; S60-I64 VanDerWaalsContact O-CG1 3.27Å; S60-I64 WeakPolarHBondContact O-CG1 3.45Å; S60-I64 PolarHBondContact O-N 2.62Å; S60-I64 VanDerWaalsContact OG-CD1 3.28Å; S60-I64 WeakPolarHBondContact OG-CD1 3.42Å; Q62-I64 PolarHBondContact O-N 3.28Å; I64-S67 PolarHBondContact O-N 3.31Å; I64-L68 VanDerWaalsContact O-CB 3.22Å; I64-L68 WeakPolarHBondContact O-CB 3.14Å; I64-L68 PolarHBondContact O-N 2.86Å
65S58Low59.3Low57 Ų5796.3 Ų96.340%0.39954%0.542SS..Hα-helixtrans-69.7-38.3-179.455.60000112.7I61 Q62 L69I61-S65 VanDerWaalsContact O-CB 3.32Å; I61-S65 WeakPolarHBondContact O-CB 3.36Å; I61-S65 PolarHBondContact O-N 2.97Å; I61-S65 PolarHBondContact O-OG 2.91Å; Q62-S65 PolarHBondContact O-N 3.36Å; Q62-S65 PolarHBondContact O-OG 2.86Å; Q62-S65 VanDerWaalsContact O-OG 3.08Å; S65-L69 WeakPolarHBondContact O-CB 3.3Å; S65-L69 PolarHBondContact O-N 2.82Å
66I60Low61.2Low107 Ų10795.7 Ų95.755%0.54955%0.547SS..Hα-helixtrans-65.8-44.5172.8-67.4166.7000110.6Q62 L69 A70Q62-I66 WeakPolarHBondContact O-CB 3.46Å; Q62-I66 VanDerWaalsContact O-CG1 3.24Å; Q62-I66 WeakPolarHBondContact O-CG1 3.38Å; Q62-I66 PolarHBondContact O-N 2.76Å; I66-L69 PolarHBondContact O-N 2.97Å; I66-A70 WeakPolarHBondContact O-CB 3.04Å; I66-A70 PolarHBondContact O-N 3.26Å
67S66.6Low63.5Low70 Ų7093.2 Ų93.249%0.4954%0.537SS..Hα-helixtrans-63.3-42.6176.9-176.10000112D63 I64 A70 V71D63-S67 WeakPolarHBondContact O-CB 3.2Å; D63-S67 PolarHBondContact O-N 2.88Å; I64-S67 PolarHBondContact O-N 3.31Å; S67-A70 PolarHBondContact O-N 2.84Å; S67-V71 WeakPolarHBondContact O-CG2 3.17Å; S67-V71 PolarHBondContact O-N 3.21Å
68L70.3Confident66Low111 Ų11191.9 Ų91.958%0.58153%0.53SS*.Hα-helixtrans-71.2-35.4179.2-160.4135.2000111.9I64 V71 V72I64-L68 VanDerWaalsContact O-CB 3.22Å; I64-L68 WeakPolarHBondContact O-CB 3.14Å; I64-L68 PolarHBondContact O-N 2.86Å; L68-V71 PolarHBondContact O-N 3.26Å; L68-V72 HydrophobicContact CD2-CG2 4.32Å; L68-V72 WeakPolarHBondContact O-CB 3.41Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 2.93Å
69L69.6Low68.2Low115 Ų11588 Ų8860%0.60252%0.52SS*.Hα-helixtrans-62.5-43.7167.3-89.6165000111.9S65 I66 V71 V72 V73S65-L69 WeakPolarHBondContact O-CB 3.3Å; S65-L69 PolarHBondContact O-N 2.82Å; I66-L69 PolarHBondContact O-N 2.97Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.47Å; L69-V72 PolarHBondContact O-N 3.22Å; L69-V73 WeakPolarHBondContact O-CB 3.49Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 3.42Å
70A74.9Confident70.8Confident63 Ų6389.7 Ų89.752%0.52152%0.522SS..Hα-helixtrans-63.2-38.5176.800000112.1I66 S67 G74I66-A70 WeakPolarHBondContact O-CB 3.04Å; I66-A70 PolarHBondContact O-N 3.26Å; S67-A70 PolarHBondContact O-N 2.84Å; A70-G74 PolarHBondContact O-N 3.28Å
71V79.8Confident73.1Confident93 Ų9392.3 Ų92.356%0.56453%0.531SS*.Hα-helixtrans-66.1-45.6173.2169.10000111.4S67 L68 L69 G74 F75S67-V71 WeakPolarHBondContact O-CG2 3.17Å; S67-V71 PolarHBondContact O-N 3.21Å; L68-V71 PolarHBondContact O-N 3.26Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.47Å; V71-G74 PolarHBondContact O-N 3.47Å; V71-F75 WeakPolarHBondContact O-CB 3.21Å; V71-F75 PolarHBondContact O-N 3.17Å
72V82.6Confident75.3Confident75 Ų7592.3 Ų92.346%0.45554%0.536SS..Hα-helixtrans-65-44.8178.1168.40000111.5L68 L69 F75 C76L68-V72 HydrophobicContact CD2-CG2 4.32Å; L68-V72 WeakPolarHBondContact O-CB 3.41Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 2.93Å; L69-V72 PolarHBondContact O-N 3.22Å; V72-F75 PolarHBondContact O-N 2.87Å; V72-C76 WeakPolarHBondContact O-CB 3.29Å; V72-C76 PolarHBondContact O-N 3.28Å
73V84.6Confident77.6Confident98 Ų9889.3 Ų89.359%0.59453%0.528SS*.Hα-helixtrans-65.8-39.8176.3170.50000111L69 G77L69-V73 WeakPolarHBondContact O-CB 3.49Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 3.42Å; V73-G77 PolarHBondContact O-N 3.22Å
74G86.4Confident79.7Confident36 Ų3687.2 Ų87.237%0.37152%0.522SS..Hα-helixtrans-63.2-42173.700000113A70 V71 G77 L78A70-G74 PolarHBondContact O-N 3.28Å; V71-G74 PolarHBondContact O-N 3.47Å; G74-G77 PolarHBondContact O-N 3.49Å; G74-L78 WeakPolarHBondContact O-CB 3.41Å; G74-L78 PolarHBondContact O-N 3.38Å
75F86.3Confident81.3Confident153 Ų15387.6 Ų87.667%0.67152%0.524SS*.Hα-helixtrans-70.1-43178.8-159.8-88.8000112V71 V72 L78 A79V71-F75 WeakPolarHBondContact O-CB 3.21Å; V71-F75 PolarHBondContact O-N 3.17Å; V72-F75 PolarHBondContact O-N 2.87Å; F75-L78 PolarHBondContact O-N 3.05Å; F75-A79 WeakPolarHBondContact O-CB 3.49Å; F75-A79 PolarHBondContact O-N 3.1Å
76C84.6Confident82.7Confident72 Ų7290.8 Ų90.849%0.48653%0.531SS..Hα-helixtrans-62.4-41.1170.9-78.40000112V72 A79 L80V72-C76 WeakPolarHBondContact O-CB 3.29Å; V72-C76 PolarHBondContact O-N 3.28Å; C76-A79 PolarHBondContact O-N 2.94Å; C76-L80 WeakPolarHBondContact O-CB 3.43Å; C76-L80 VanDerWaalsContact O-CG 3.29Å; C76-L80 WeakPolarHBondContact O-CG 3.3Å; C76-L80 PolarHBondContact O-N 3.42Å
77G89.3Confident83.9Confident34 Ų3489 Ų8935%0.35153%0.526SS..Hα-helixtrans-61.6-44175.600000112.6V73 G74 L80 L81V73-G77 PolarHBondContact O-N 3.22Å; G74-G77 PolarHBondContact O-N 3.49Å; G77-L80 PolarHBondContact O-N 3.16Å; G77-L81 WeakPolarHBondContact O-CB 3.29Å; G77-L81 PolarHBondContact O-N 2.88Å
78L90.2Very high84.8Confident113 Ų11392 Ų9259%0.59253%0.53SS*.Hα-helixtrans-64.3-43.7173.4-83.8165.9000112.3G74 F75 L80 L81 V82G74-L78 WeakPolarHBondContact O-CB 3.41Å; G74-L78 PolarHBondContact O-N 3.38Å; F75-L78 PolarHBondContact O-N 3.05Å; L78-L80 PolarHBondContact O-N 2.85Å; L78-L81 PolarHBondContact O-N 2.9Å; L78-V82 WeakPolarHBondContact O-CG2 3.47Å; L78-V82 PolarHBondContact O-N 2.78Å
79A87.9Confident85.3Confident49 Ų4994.8 Ų94.841%0.40553%0.533SS..Hα-helixtrans-61.6-44.2176.700000111.7F75 C76 V82 V83F75-A79 WeakPolarHBondContact O-CB 3.49Å; F75-A79 PolarHBondContact O-N 3.1Å; C76-A79 PolarHBondContact O-N 2.94Å; A79-V82 PolarHBondContact O-N 2.9Å; A79-V83 WeakPolarHBondContact O-CG2 3.5Å; A79-V83 PolarHBondContact O-N 3.05Å
80L88.8Confident85.8Confident125 Ų12595.8 Ų95.865%0.65453%0.532SS*.Hα-helixtrans-66.1-35.5175-70.7172.2000112.3C76 G77 L78 S84C76-L80 WeakPolarHBondContact O-CB 3.43Å; C76-L80 VanDerWaalsContact O-CG 3.29Å; C76-L80 WeakPolarHBondContact O-CG 3.3Å; C76-L80 PolarHBondContact O-N 3.42Å; G77-L80 PolarHBondContact O-N 3.16Å; L78-L80 PolarHBondContact O-N 2.85Å; L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 3.01Å
81L90.8Very high85.8Confident103 Ų10398.2 Ų98.254%0.53954%0.536SS..Hα-helixtrans-64.3-43.4171.6-97.7169.5000112.1G77 L78 S84 L85G77-L81 WeakPolarHBondContact O-CB 3.29Å; G77-L81 PolarHBondContact O-N 2.88Å; L78-L81 PolarHBondContact O-N 2.9Å; L81-S84 PolarHBondContact O-N 2.98Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.45Å; L81-L85 PolarHBondContact O-N 3.23Å
82V91.2Very high85.2Confident98 Ų9895.8 Ų95.859%0.59452%0.523SS*.Hα-helixtrans-64.5-43.2176.8170.50000111.1L78 A79 L85 F86L78-V82 WeakPolarHBondContact O-CG2 3.47Å; L78-V82 PolarHBondContact O-N 2.78Å; A79-V82 PolarHBondContact O-N 2.9Å; V82-L85 PolarHBondContact O-N 2.87Å; V82-F86 WeakPolarHBondContact O-CB 3.4Å; V82-F86 PolarHBondContact O-N 2.67Å
83V89.4Confident84.2Confident87 Ų8799.2 Ų99.253%0.52753%0.528SS..Hα-helixtrans-64.3-43.9174.6172.20000111A79 F86 V87A79-V83 WeakPolarHBondContact O-CG2 3.5Å; A79-V83 PolarHBondContact O-N 3.05Å; V83-F86 PolarHBondContact O-N 2.92Å; V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CB 3.38Å; V83-V87 WeakPolarHBondContact O-CG2 3.3Å; V83-V87 PolarHBondContact O-N 2.68Å
84S87.7Confident82.8Confident72 Ų7298.4 Ų98.450%0.50352%0.524SS..Hα-helixtrans-61.3-45.7176.9-175.80000111.7L80 L81 F86 V87 F88L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 3.01Å; L81-S84 PolarHBondContact O-N 2.98Å; S84-F86 PolarHBondContact O-N 2.73Å; S84-V87 PolarHBondContact O-N 2.84Å; S84-F88 WeakPolarHBondContact O-CB 3.13Å; S84-F88 PolarHBondContact O-N 2.84Å
85L89.1Confident81.4Confident108 Ų108102 Ų10257%0.56553%0.534SS*.Hα-helixtrans-65.3-37.2175.4-72.8170000112.3L81 V82 W89L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.45Å; L81-L85 PolarHBondContact O-N 3.23Å; V82-L85 PolarHBondContact O-N 2.87Å; L85-W89 WeakPolarHBondContact O-CB 3.15Å; L85-W89 PolarHBondContact O-N 3.09Å
86F86.1Confident79.8Confident124 Ų124105.2 Ų105.254%0.54454%0.542SS..Hα-helixtrans-67.2-42.6174.9-178.2-96.8000112.1V82 V83 S84 K90V82-F86 WeakPolarHBondContact O-CB 3.4Å; V82-F86 PolarHBondContact O-N 2.67Å; V83-F86 PolarHBondContact O-N 2.92Å; S84-F86 PolarHBondContact O-N 2.73Å; F86-K90 HydrophobicContact CD1-CG 4.43Å; F86-K90 HydrophobicContact CE1-CG 4.12Å; F86-K90 HydrophobicContact CZ-CG 4.3Å; F86-K90 WeakPolarHBondContact O-CB 3.45Å; F86-K90 WeakPolarHBondContact O-CG 3.37Å; F86-K90 PolarHBondContact O-N 2.94Å
87V86.1Confident78.1Confident71 Ų71111.1 Ų111.143%0.4355%0.554SS.*Hα-helixtrans-66.1-45.1175.1170.10000110.7V83 S84 W89 K90 L91V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CB 3.38Å; V83-V87 WeakPolarHBondContact O-CG2 3.3Å; V83-V87 PolarHBondContact O-N 2.68Å; S84-V87 PolarHBondContact O-N 2.84Å; V87-W89 PolarHBondContact O-N 2.87Å; V87-K90 CarbonylContact O-C 3.59Å; V87-K90 PolarHBondContact O-N 3.41Å; V87-L91 HydrophobicContact CG1-CD1 3.75Å; V87-L91 HydrophobicContact CG1-CG 4.31Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.28Å; V87-L91 WeakPolarHBondContact O-CG 3.26Å; V87-L91 PolarHBondContact O-N 3.03Å
88F85.8Confident76.1Confident132 Ų132113.6 Ų113.658%0.57957%0.565SS**Hα-helixtrans-60.9-45.1175.4-173.9-98.6000111.5S84 K90 L91 C92S84-F88 WeakPolarHBondContact O-CB 3.13Å; S84-F88 PolarHBondContact O-N 2.84Å; F88-K90 VanDerWaalsContact C-N 3.34Å; F88-K90 PolarHBondContact O-N 3.37Å; F88-L91 PolarHBondContact O-N 3.03Å; F88-C92 WeakPolarHBondContact O-CB 3.3Å; F88-C92 PolarHBondContact O-N 2.43Å; F88-C92 PolarHBondContact O-SG 2.97Å; F88-C92 VanDerWaalsContact O-SG 3.41Å
89W79.3Confident74.2Confident170 Ų170116.7 Ų116.764%0.64457%0.574SS**Hα-helixtrans-59.6-44.1173.9-169.63.3000111.1L85 V87 L91 C92 W93L85-W89 WeakPolarHBondContact O-CB 3.15Å; L85-W89 PolarHBondContact O-N 3.09Å; V87-W89 PolarHBondContact O-N 2.87Å; W89-L91 PolarHBondContact O-N 3.14Å; W89-C92 PolarHBondContact O-N 3.08Å; W89-W93 AromaticContact CD1-CE3 3.85Å; W89-W93 HydrophobicContact CZ2-CZ3 4.4Å; W89-W93 AromaticContact NE1-CE3 3.46Å; W89-W93 AromaticContact NE1-CZ3 3.54Å; W89-W93 WeakPolarHBondContact O-CB 3.32Å; W89-W93 PolarHBondContact O-N 3.19Å
90K80.6Confident72.3Confident135 Ų135119.7 Ų119.759%0.58759%0.587SS**Hα-helixtrans-64.4-34.5175.4-80-73.2-176.7178.60114F86 V87 F88 P94F86-K90 HydrophobicContact CD1-CG 4.43Å; F86-K90 HydrophobicContact CE1-CG 4.12Å; F86-K90 HydrophobicContact CZ-CG 4.3Å; F86-K90 WeakPolarHBondContact O-CB 3.45Å; F86-K90 WeakPolarHBondContact O-CG 3.37Å; F86-K90 PolarHBondContact O-N 2.94Å; V87-K90 CarbonylContact O-C 3.59Å; V87-K90 PolarHBondContact O-N 3.41Å; F88-K90 VanDerWaalsContact C-N 3.34Å; F88-K90 PolarHBondContact O-N 3.37Å; K90-P94 WeakPolarHBondContact O-CD 3.38Å
91L75.8Confident70Confident114 Ų114121.5 Ų121.560%0.59760%0.597SS**Hα-helixtrans-78.8-33.2177.5-70.2171.5000112.7V87 F88 W89 P94V87-L91 HydrophobicContact CG1-CD1 3.75Å; V87-L91 HydrophobicContact CG1-CG 4.31Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.28Å; V87-L91 WeakPolarHBondContact O-CG 3.26Å; V87-L91 PolarHBondContact O-N 3.03Å; F88-L91 PolarHBondContact O-N 3.03Å; W89-L91 PolarHBondContact O-N 3.14Å; L91-P94 WeakPolarHBondContact O-CD 3.22Å; L91-P94 WeakPolarHBondContact O-CG 3.43Å
92C66.4Low67.6Low42 Ų42122.7 Ų122.728%0.28461%0.614SS.*Hα-helixtrans-80.5-23.3174.4-67.90000113.2F88 W89 I95 W96F88-C92 WeakPolarHBondContact O-CB 3.3Å; F88-C92 PolarHBondContact O-N 2.43Å; F88-C92 PolarHBondContact O-SG 2.97Å; F88-C92 VanDerWaalsContact O-SG 3.41Å; W89-C92 PolarHBondContact O-N 3.08Å; C92-I95 PolarHBondContact O-N 3.46Å; C92-W96 PolarHBondContact O-N 2.77Å
93W62.2Low65.2Low148 Ų148121.6 Ų121.656%0.56162%0.615SS**Hα-helixtrans-50.6-50.3176.2-166.9-85000114.2W89 I95 R97W89-W93 AromaticContact CD1-CE3 3.85Å; W89-W93 HydrophobicContact CZ2-CZ3 4.4Å; W89-W93 AromaticContact NE1-CE3 3.46Å; W89-W93 AromaticContact NE1-CZ3 3.54Å; W89-W93 WeakPolarHBondContact O-CB 3.32Å; W89-W93 PolarHBondContact O-N 3.19Å; W93-I95 VanDerWaalsContact C-N 3.31Å; W93-I95 PolarHBondContact O-N 3.42Å; W93-R97 PolarHBondContact O-N 2.94Å
94P55.7Low62.5Low80 Ų80126.2 Ų126.252%0.51963%0.63SS.*Hα-helixtrans-68-27.1175.127.1-36.1000113.7K90 L91K90-P94 WeakPolarHBondContact O-CD 3.38Å; L91-P94 WeakPolarHBondContact O-CD 3.22Å; L91-P94 WeakPolarHBondContact O-CG 3.43Å
95I55.5Low59.9Low112 Ų112127.4 Ų127.457%0.57465%0.645SS**Hα-helixtrans-77.3-35.5-178.3-58.4176.6000111.4C92 W93 S98C92-I95 PolarHBondContact O-N 3.46Å; W93-I95 VanDerWaalsContact C-N 3.31Å; W93-I95 PolarHBondContact O-N 3.42Å; I95-S98 PolarHBondContact O-OG 2.84Å; I95-S98 VanDerWaalsContact O-OG 3.07Å
96W52.4Low57.4Low221 Ų221129.8 Ų129.884%0.83765%0.653SS**Hα-helixtrans-79.8-29.5178.7-132.5-5.6000112.5C92 S98C92-W96 PolarHBondContact O-N 2.77Å; W96-S98 VanDerWaalsContact C-N 3.3Å; W96-S98 PolarHBondContact O-N 2.84Å
97R49.3Very low54.8Low196 Ų196130.6 Ų130.674%0.7466%0.663SS**Hα-helixtrans-74.3-14.8179.9-149.3179.6-166.1-153.32.9114.3W93W93-R97 PolarHBondContact O-N 2.94Å
98S48.5Very low52.2Low85 Ų85130.8 Ų130.859%0.59468%0.679SS**THydrogen-bonded Turntrans-89.7-4.4179.659.20000114.6I95 W96I95-S98 PolarHBondContact O-OG 2.84Å; I95-S98 VanDerWaalsContact O-OG 3.07Å; W96-S98 VanDerWaalsContact C-N 3.3Å; W96-S98 PolarHBondContact O-N 2.84Å
99K49.5Very low49.5Very low178 Ų178132.5 Ų132.577%0.77469%0.694SS**SBendtrans-994.9176.7-72.7-167.5173.8-175.60114.9
100T47.4Very low47.3Very low112 Ų112132.1 Ų132.169%0.68770%0.699SS**SBendtrans-128.644.4-179.746.10000113.1
101L41.5Very low45.1Very low164 Ų164131.6 Ų131.686%0.85971%0.707SS**  trans-167.174.9155.7-106.8162.9000110.4
102S39.9Very low42.9Very low127 Ų127129.4 Ų129.489%0.88871%0.712SS**  trans-138.272.7164-169.30000109.2
103A39.8Very low41.2Very low75 Ų75137.6 Ų137.662%0.6274%0.743SS**  trans-155.9135.1170.500000108.8
104H33.6Very low40.5Very low184 Ų184135.6 Ų135.685%0.85275%0.749SS**  trans69.7110.1175.1-65.5-78000119.9
105A33.7Very low39.2Very low98 Ų98140.8 Ų140.881%0.8177%0.766SS**  trans64.9161.9137.500000121
106E35.8Very low38Very low157 Ų157139.4 Ų139.473%0.73477%0.772SS**  cis170.5148.6-36.1-149.1-177.7-128.400105.8
107N31.9Very low37.7Very low141 Ų141134.8 Ų134.875%0.75477%0.77SS**  trans75.2141.7162.7-51.6-47.1000121
108G30.8Very low38Very low75 Ų75130.7 Ų130.777%0.77377%0.769SS**  trans90.1118.6177.600000114
109L30.9Very low38Very low169 Ų169132.4 Ų132.489%0.88578%0.778SS**  cis75.4133.826.6-133.471.8000113.1
110H32.9Very low37Very low161 Ų161130 Ų13075%0.74578%0.784SS**  cis-137.4-127.314.6-168.2-129.7000115
111V32.7Very low36.2Very low125 Ų125130 Ų13076%0.75879%0.788SS**  trans-139.2151-162.9172.30000111.8
112G29.8Very low35.6Very low68 Ų68128.2 Ų128.270%0.70179%0.785SS**  trans171.7118.5162.100000119.4
113F31.6Very low35.9Very low213 Ų213127.5 Ų127.593%0.93478%0.777SS**  trans-144.3173.7160.5-89-79.2000106.1
114P48.3Very low35.4Very low106 Ų106130.4 Ų130.469%0.68879%0.787SS**  cis-140.8-159.712.238.5-14.5000116
115E27.6Very low35.3Very low189 Ų189129.4 Ų129.488%0.88379%0.786SS**  trans93.9164.5145.8-131.9155.4177.600122.3
116A30.1Very low34.8Very low84 Ų84133.8 Ų133.869%0.69479%0.789SS**  trans-161.6-163-158.300000111.6
117P45.3Very low34.4Very low124 Ų124131.3 Ų131.381%0.80579%0.788SS**  cis-121.3-104.8-20.819.76.1000117.1
118P56.3Low34Very low110 Ų110133.9 Ų133.971%0.71479%0.793SS**  -121.1-160.8-129.144.8-26.2000113.7
119P48.9Very low33.8Very low121 Ų121136.9 Ų136.979%0.78680%0.796SS**  cis-142.11722.643.8-25.4000118.9
120S28.3Very low33.7Very low127 Ų127133 Ų13389%0.88879%0.788SS**  trans-160.3172.6147.264.10000111
121S31.1Very low33.5Very low112 Ų112133.9 Ų133.978%0.78379%0.793SS**  trans-113154.9-151.656.80000119.2
122T29.2Very low33.4Very low127 Ų127134.1 Ų134.178%0.77979%0.794SS**  trans-52.8178.4167.642.30000117.7
123P45.9Very low33.4Very low111 Ų111136.3 Ų136.372%0.72179%0.786SS**  cis-138.6-176.5-28.332.9-12.5000114.6
124V28.1Very low33.4Very low137 Ų137133.9 Ų133.983%0.8378%0.775SS**  trans153.7152.5134.2163.40000110.5
125I31.5Very low32.4Very low162 Ų162137.5 Ų137.583%0.83178%0.78SS**  trans-119.3137.7-172.3-61.3169.6000110.6
126E24.9Very low32.4Very low190 Ų190137.2 Ų137.289%0.88878%0.778SS**  trans-140158.8161.6-172.9165.6-160.700111
127C25.7Very low33.6Very low105 Ų105137.7 Ų137.771%0.70977%0.774SS**  trans-101143.7-174.2-59.50000113.4
128K23.5Very low33.7Very low196 Ų196137.4 Ų137.485%0.85277%0.773SS**  169.9129125-95165.7-177.3174.60115
129V26.5Very low32.3Very low138 Ų138140.8 Ų140.884%0.83678%0.779SS**  57.6152126.5-171.10000121
130A30.4Very low31.4Very low88 Ų88140.1 Ų140.173%0.72777%0.772SS**  trans89.1164.1161.400000116.8
131E29Very low31.3Very low179 Ų179143.2 Ų143.284%0.83677%0.77SS**  cis-158.2-137.84.6-151.5-171.9-144.100114.1
132V30.5Very low31.2Very low130 Ų130143.2 Ų143.279%0.78877%0.765SS**  trans80.4121-176.5-175.20000114.5
133E29.5Very low31.2Very low113 Ų113144.9 Ų144.953%0.52877%0.769SS.*  cis-156.6-144.9-14.7-144.3-160.5133.700107.5K135E133-K135 WeakPolarHBondContact OE1-CE 3.48Å; E133-K135 WeakPolarHBondContact OE1-CG 3.32Å
134K31.1Very low30.3Very low162 Ų162143.4 Ų143.470%0.70477%0.774SS**  cis-158.492.911.1-156.8170.7-155.174.60115.1
135K28.2Very low30.3Very low182 Ų182148.7 Ų148.779%0.79178%0.779SS**  trans71.2178.9149.3-57.8-165.5175.1-172.60120.9E133E133-K135 WeakPolarHBondContact OE1-CE 3.48Å; E133-K135 WeakPolarHBondContact OE1-CG 3.32Å
136H25.9Very low30Very low183 Ų183146 Ų14685%0.84777%0.774SS**  trans-153.2-159.1-133.3-14541.3000113.7
137P55.7Low30.1Very low95 Ų95144.4 Ų144.462%0.61777%0.772SS**  -116.5-158.8-129.440.7-18.2000114.5
138P48.7Very low30.3Very low118 Ų118144.9 Ų144.977%0.76677%0.771SS**  -152.6169.278.839.4-18000119.4
139E26.9Very low30.5Very low181 Ų181145.3 Ų145.385%0.84677%0.773SS**  trans4.2164.5157.6-51.7-165.9126.600123.8
140V28.5Very low30.6Very low106 Ų106149.3 Ų149.364%0.64277%0.774SS**  -171.9128.859.7168.60000114.4
141K27.7Very low30.7Very low193 Ų193153.6 Ų153.684%0.83978%0.784SS**  trans60.7159.9152.4-66.6173.2-173.51710120.9
142V28.6Very low30.8Very low112 Ų112154.3 Ų154.368%0.67979%0.788SS**  cis-164.1151.1-12.8128.70000112.9
143N28.1Very low30.9Very low162 Ų162152 Ų15287%0.86679%0.79SS**  trans56.8133.7160.8-73.4-7.7000123.4
144G27.9Very low31Very low80 Ų80151 Ų15183%0.82580%0.801SS**  trans174.5123.3159.200000115.9
145R27.9Very low31.1Very low248 Ų248152.5 Ų152.594%0.93681%0.813SS**  trans-77.1157.2164.7-91179.5175.9166.4-3.5109.4
146S25.1Very low31.4Very low104 Ų104153.3 Ų153.373%0.72782%0.817SS**  cis-174.4178.1-0.345.10000111
147N26.6Very low32.1Very low158 Ų158152.1 Ų152.185%0.84582%0.815SS**  trans101.1148152.1-139.9-6000117.5
148V30Very low31.2Very low114 Ų114152.8 Ų152.869%0.69182%0.822SS**  trans-93.2140.8-161.7177.60000112.3Y150V148-Y150 HydrophobicContact CG1-CD2 4.48Å
149K28.4Very low30.5Very low205 Ų205156 Ų15689%0.89183%0.826SS**  trans-130.1135.6155.4-77.7-169.9173.4-175.60110.3
150Y28.5Very low31.4Very low222 Ų222154 Ų15487%0.87183%0.827SS**PPolyproline II helixtrans-69.8150.5170.2-91.1-114.1000110.4V148V148-Y150 HydrophobicContact CG1-CD2 4.48Å
151L31.9Very low31.8Very low179 Ų179154.3 Ų154.394%0.93783%0.833SS**PPolyproline II helixtrans-74.8137.6171.9-95.7160.1000111
152E31.8Very low32.8Very low193 Ų193151 Ų15190%0.90283%0.832SS**PPolyproline II helixtrans-93.2142-179.9-174.8173.4174.800110.5
153G31.7Very low33.5Very low81 Ų81153.6 Ų153.684%0.83584%0.842SS**  trans-178.451.2-172.200000115.2
154A32.4Very low34.7Very low92 Ų92151.3 Ų151.376%0.7683%0.829SS**  trans-126.6110.5175.300000111.2K156A154-K156 PolarHBondContact O-N 3.25Å
155M31.9Very low36.3Very low194 Ų194151.4 Ų151.496%0.95681%0.814SS**  trans-71.3112.6-177.1-172176-175.900110.9
156K35.8Very low37.7Very low200 Ų200143 Ų14387%0.8780%0.798SS**  trans-77.9138.3176.8-78.5-173.5175.9-179.50111.9A154A154-K156 PolarHBondContact O-N 3.25Å
157I40Very low39.3Very low158 Ų158145.5 Ų145.581%0.8180%0.798SS**  trans-101.8139.8168.6-62.5173.5000108.2
158S37.9Very low40.7Very low109 Ų109141.9 Ų141.976%0.76278%0.782SS**  trans69.7149.7175.589.40000118.9
159Q34Very low42Very low185 Ų185142.5 Ų142.586%0.86478%0.777SS**  trans-133.6115.1162.4-74.1-176.6-900106.9
160T44.5Very low43.4Very low139 Ų139137 Ų13785%0.85376%0.761SS**  trans168.778.3151.125.90000110.4
161S37.9Very low44.9Very low112 Ų112128.8 Ų128.878%0.78374%0.739SS**SBendtrans-161.7146.7160.9-800000108.8
162P47.2Very low45.9Very low124 Ų124125.6 Ų125.681%0.80572%0.722SS**PPolyproline II helixtrans-76145.4-176.730.6-34.7000112.5
163D44.5Very low47.1Very low167 Ų167126.1 Ų126.189%0.89372%0.716SS**PPolyproline II helixtrans-70.7139.7-179.9-73.4-62.4000113.1
164I51.9Low48.2Very low114 Ų114127.8 Ų127.859%0.58570%0.702SS**PPolyproline II helixtrans-99.9125174.1-60.1174.1000108.7V168I164-V168 HydrophobicContact CG2-CB 4.03Å; I164-V168 HydrophobicContact CG2-CG1 4.38Å; I164-V168 HydrophobicContact CG2-CG2 4.15Å
165P62.1Low49.1Very low81 Ų81131.6 Ų131.653%0.52670%0.701SS.*PPolyproline II helixtrans-54.1142.7-178.7-2936000114.6E167 V168P165-E167 PolarHBondContact O-N 3.33Å; P165-E167 VanDerWaalsContact O-N 3.11Å; P165-V168 PolarHBondContact O-N 3.07Å; P165-V168 VanDerWaalsContact O-N 3.1Å
166A57.8Low50.1Low72 Ų72128.8 Ų128.860%0.59569%0.689SS**Hα-helixtrans-58.9-27.8-173.300000114.1V168 Q169 T170A166-V168 PolarHBondContact O-N 3.3Å; A166-Q169 WeakPolarHBondContact O-CB 3.17Å; A166-Q169 PolarHBondContact O-N 3.35Å; A166-T170 PolarHBondContact O-N 2.83Å; A166-T170 PolarHBondContact O-OG1 2.75Å
167E57.6Low50.6Low156 Ų156124.2 Ų124.273%0.72968%0.682SS**Hα-helixtrans-56.7-32.6176.5-67154.3-152.900113.3P165 T170 A171P165-E167 PolarHBondContact O-N 3.33Å; P165-E167 VanDerWaalsContact O-N 3.11Å; E167-T170 PolarHBondContact O-OG1 2.9Å; E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 3.38Å
168V57.5Low51.1Low82 Ų82123.7 Ų123.750%0.49767%0.674SS.*Hα-helixtrans-73.7-33.6177.7-174.20000110.9I164 P165 A166 L172I164-V168 HydrophobicContact CG2-CB 4.03Å; I164-V168 HydrophobicContact CG2-CG1 4.38Å; I164-V168 HydrophobicContact CG2-CG2 4.15Å; P165-V168 PolarHBondContact O-N 3.07Å; P165-V168 VanDerWaalsContact O-N 3.1Å; A166-V168 PolarHBondContact O-N 3.3Å; V168-L172 PolarHBondContact O-N 3.18Å; V168-L172 VanDerWaalsContact O-N 3.09Å
169Q56.3Low51.1Low127 Ų127126.4 Ų126.459%0.59368%0.675SS**Hα-helixtrans-74.4-35.7-178-55.3-172.921.100112.1A166 R173A166-Q169 WeakPolarHBondContact O-CB 3.17Å; A166-Q169 PolarHBondContact O-N 3.35Å; Q169-R173 PolarHBondContact O-N 3.33Å
170T57.8Low51.6Low90 Ų90123.8 Ų123.855%0.55267%0.674SS**Hα-helixtrans-68.7-43.6172.247.90000111.4A166 E167 L172 R173 E174A166-T170 PolarHBondContact O-N 2.83Å; A166-T170 PolarHBondContact O-OG1 2.75Å; E167-T170 PolarHBondContact O-OG1 2.9Å; T170-L172 VanDerWaalsContact C-N 3.28Å; T170-L172 PolarHBondContact O-N 3.32Å; T170-R173 PolarHBondContact O-N 3.03Å; T170-E174 PolarHBondContact O-N 2.97Å
171A59.8Low51.3Low49 Ų49122.4 Ų122.441%0.40567%0.665SS.*Hα-helixtrans-60.2-34.517600000113.2E167 K175E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 3.38Å; A171-K175 WeakPolarHBondContact O-CG 3.24Å; A171-K175 PolarHBondContact O-N 3.24Å
172L54.3Low51.5Low112 Ų112127.5 Ų127.559%0.58667%0.673SS**Hα-helixtrans-69.9-43.1175-148.779.1000111.9V168 T170 K175 I176V168-L172 PolarHBondContact O-N 3.18Å; V168-L172 VanDerWaalsContact O-N 3.09Å; T170-L172 VanDerWaalsContact C-N 3.28Å; T170-L172 PolarHBondContact O-N 3.32Å; L172-K175 PolarHBondContact O-N 2.81Å; L172-I176 HydrophobicContact CG-CD1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.97Å
173R56.3Low51.2Low205 Ų205129.3 Ų129.377%0.77467%0.674SS**Hα-helixtrans-62.9-41.4176.8-88.8-178.6164.8161-3.2112.9Q169 T170 I176 S177Q169-R173 PolarHBondContact O-N 3.33Å; T170-R173 PolarHBondContact O-N 3.03Å; R173-I176 PolarHBondContact O-N 2.99Å; R173-S177 PolarHBondContact O-N 3Å
174E54Low50.9Low115 Ų115130 Ų13054%0.53767%0.672SS.*Hα-helixtrans-62.8-42.2176.3-92.7-142.192.100112.8T170 I176 S177 K178T170-E174 PolarHBondContact O-N 2.97Å; E174-I176 VanDerWaalsContact C-N 3.32Å; E174-I176 PolarHBondContact O-N 3.07Å; E174-S177 PolarHBondContact O-N 3.44Å; E174-K178 IonicContact OE1-NZ 2.63Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å
175K52.2Low50.1Low173 Ų173136.2 Ų136.275%0.75269%0.688SS**Hα-helixtrans-64.6-35.4179-76.2-177.3176.9-178.50112.7A171 L172 S177A171-K175 WeakPolarHBondContact O-CG 3.24Å; A171-K175 PolarHBondContact O-N 3.24Å; L172-K175 PolarHBondContact O-N 2.81Å; K175-S177 VanDerWaalsContact C-N 3.32Å
176I51.8Low48.9Very low134 Ų134140.7 Ų140.769%0.68770%0.702SS**Hα-helixtrans-70.4-28.4178.2-67.8165.8000111.9L172 R173 E174 K178L172-I176 HydrophobicContact CG-CD1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.97Å; R173-I176 PolarHBondContact O-N 2.99Å; E174-I176 VanDerWaalsContact C-N 3.32Å; E174-I176 PolarHBondContact O-N 3.07Å; I176-K178 PolarHBondContact O-N 3.3Å
177S47.2Very low48.1Very low105 Ų105143.7 Ų143.773%0.73471%0.713SS**THydrogen-bonded Turntrans-85.7-1.4-174.3-1540000115.2R173 E174 K175R173-S177 PolarHBondContact O-N 3Å; E174-S177 PolarHBondContact O-N 3.44Å; K175-S177 VanDerWaalsContact C-N 3.32Å
178K49.5Very low47.2Very low146 Ų146142.2 Ų142.264%0.63572%0.715SS**THydrogen-bonded Turntrans-120.417.7-166.1-77.4176.1172.7170.10116.2E174 I176E174-K178 IonicContact OE1-NZ 2.63Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å; I176-K178 PolarHBondContact O-N 3.3Å
179Q39.3Very low46.5Very low167 Ų167146.1 Ų146.178%0.7873%0.728SS**  trans-138.2108.4170.6-77.9-166.4-24.200114.1
180P44.9Very low45.9Very low130 Ų130146.4 Ų146.484%0.84474%0.741SS**  trans-107.483.5170.536.6-27.5000111.8
181T38Very low44.9Very low109 Ų109148.1 Ų148.167%0.66975%0.751SS**  trans-129.9120.7176.148.60000112.2I183T181-I183 PolarHBondContact O-N 2.81Å
182K42.4Very low43.9Very low220 Ų220150.8 Ų150.896%0.95777%0.767SS**  trans-58.6127.2170.2-78.8179.3173.3177.70110.2
183I39.9Very low43Very low161 Ų161151.4 Ų151.483%0.82678%0.78SS**  trans-127.7138.9155.2-61.4-176.8000107.9T181T181-I183 PolarHBondContact O-N 2.81Å
184Q37.8Very low42.1Very low181 Ų181146.5 Ų146.585%0.84678%0.778SS**  trans-81.2128.9-165.6-173.4167.4-15.400111.1Q186Q184-Q186 PolarHBondContact O-N 2.89Å; Q184-Q186 VanDerWaalsContact O-N 3.09Å
185R35.7Very low41.2Very low246 Ų246152.7 Ų152.793%0.92880%0.796SS**  trans-70.7104.9169.8-82-169.4174.7-164.1-1.4109.1
186Q36.3Very low40.4Very low175 Ų175152.4 Ų152.482%0.81880%0.797SS**  trans-80.4118.5172.9-168.8171.29.700109.1Q184Q184-Q186 PolarHBondContact O-N 2.89Å; Q184-Q186 VanDerWaalsContact O-N 3.09Å
187T40.5Very low39.6Very low134 Ų134152.6 Ų152.682%0.82280%0.799SS**  trans-76.5123.2171.640.50000109.9
188T39.7Very low39.1Very low125 Ų125151.9 Ų151.977%0.76780%0.795SS**  trans-105.8103.4172.453.40000109.8
189E42.5Very low38.7Very low164 Ų164155.4 Ų155.477%0.76681%0.811SS**  trans-72145.7163.8-62.8-175.9162.500110T191E189-T191 VanDerWaalsContact C-N 3.32Å; E189-T191 PolarHBondContact O-N 2.89Å
190P44.8Very low38.6Very low134 Ų134157.4 Ų157.487%0.8781%0.811SS**  trans-75.384.2172.531.8-33.6000110.2
191T35.8Very low38.4Very low125 Ų125162.8 Ų162.877%0.76781%0.814SS**PPolyproline II helixtrans-63.3137.4174.7-53.40000110.7E189E189-T191 VanDerWaalsContact C-N 3.32Å; E189-T191 PolarHBondContact O-N 2.89Å
192S38.7Very low38.4Very low105 Ų105164.8 Ų164.873%0.73482%0.816SS**PPolyproline II helixtrans-68.4136.4-17949.50000112.9
193S36.1Very low38.3Very low125 Ų125162.2 Ų162.287%0.87481%0.812SS**PPolyproline II helixtrans-100.1118170.655.60000110.5
194S36.7Very low38.6Very low103 Ų103160.5 Ų160.572%0.7281%0.811SS**  trans-126.5114.9179.859.80000112.1
195R34.4Very low38.6Very low244 Ų244163.2 Ų163.292%0.92181%0.813SS**  trans169.4110.8157.4-95.2152.8-167.9-148.21.5107
196H37.2Very low38.7Very low168 Ų168160.6 Ų160.678%0.77881%0.812SS**  42.4121.174.8-92.8-92.2000112
197N33.7Very low38.7Very low137 Ų137160.9 Ų160.973%0.73382%0.815SS**  cis-15317239-94.3-48.4000109.8
198S37.9Very low38.4Very low91 Ų91162.2 Ų162.264%0.63682%0.817SS**  cis-171.7144.5-944.80000109.2
199F39.6Very low38.2Very low220 Ų220163.2 Ų163.297%0.96582%0.823SS**  trans-147.1130.7148.7-105.3-72.4000110.7
200R37.2Very low37.7Very low208 Ų208160.6 Ų160.679%0.78582%0.823SS**  trans-114.2124-174.1-161.6-178.7-162170.34.6108.7
201R41.3Very low37.7Very low243 Ų243159.5 Ų159.592%0.91782%0.818SS**  trans-124.6150162-73.9-170.6179.1176.31.3108.7
202H37.7Very low37.6Very low152 Ų152160 Ų16070%0.70482%0.821SS**  trans-108.1137.3-158.1-63.5-109000111.6
203L41.6Very low37.5Very low166 Ų166161.7 Ų161.787%0.86982%0.822SS**  trans-85134.7162.4-78.982000109.7R205L203-R205 PolarHBondContact O-N 3.09Å
204P44.8Very low37.3Very low124 Ų124166 Ų16681%0.80583%0.825SS**  trans-84.3102.2171.231.9-31.3000112
205R39Very low37.1Very low238 Ų238166.2 Ų166.290%0.89883%0.827SS**  54106.1127.6-162.3171-167.21613118.7L203L203-R205 PolarHBondContact O-N 3.09Å
206Q37.7Very low37.1Very low192 Ų192162.2 Ų162.290%0.89782%0.82SS**  trans-57.6155.6157.1-66.4167.3-71.600111.5
207M35.8Very low36.8Very low181 Ų181159.5 Ų159.589%0.89281%0.811SS**  trans-119.9128.5175-164.6174.9-64.500110.1
208N35Very low36.8Very low161 Ų161161.2 Ų161.286%0.86181%0.812SS**  trans-71.4148.1175.6-77.2-4.7000111
209V34.4Very low36.5Very low146 Ų146163.2 Ų163.289%0.88582%0.821SS**  trans-111.9124.4162.9-177.50000107.8
210S33.1Very low36.9Very low110 Ų110158.2 Ų158.277%0.76981%0.81SS**  trans-93.5136179.351.30000111.7
211S42.9Very low36.5Very low111 Ų111155.5 Ų155.578%0.77681%0.81SS**  trans-77.8144176.151.10000113.3
212V34.7Very low36.1Very low136 Ų136154 Ų15482%0.82481%0.805SS**  trans-142.8129.4157.1-173.50000108
213D36.8Very low35.8Very low140 Ų140154 Ų15475%0.74981%0.805SS**  trans-82.8163.7178.2-57.7-76.3000113
214F30.8Very low35.4Very low216 Ų216151.2 Ų151.295%0.94780%0.799SS**  -170.2171.2125.1-103.4-66.2000110.8
215S33.2Very low35.4Very low107 Ų107150.6 Ų150.675%0.74880%0.798SS**  trans-138.5172-157.9-166.10000115
216M34.2Very low35.1Very low160 Ų160145.8 Ų145.879%0.78880%0.795SS**  trans86.5134.9160.6-83.7164.95700123
217D31.7Very low35.7Very low110 Ų110143.5 Ų143.559%0.58879%0.794SS**  trans85.8176.2145.5-86.1-65.6000123.1
218K33.8Very low36Very low173 Ų173140.1 Ų140.175%0.75279%0.788SS**  trans-112.4146.8-133.4-62.7163.2-175.294.20116.4
219V31.9Very low36.6Very low134 Ų134140.7 Ų140.781%0.81279%0.789SS**  22.6134129178.50000117.9
220P46.4Very low37.4Very low114 Ų114137.1 Ų137.174%0.7478%0.782SS**  cis-145.5162.334.426.7-0.8000120.8
221L30.3Very low38.2Very low152 Ų152143.6 Ų143.680%0.79679%0.79SS**  trans29.6116.4133.2-161.787.1000122.4
222R31.7Very low38.6Very low212 Ų212144.3 Ų144.380%0.878%0.783SS**  -177.3-177.7114.4-101.5-166.5-178.5-135.83.2115.4
223Q31.6Very low39.2Very low152 Ų152144.5 Ų144.571%0.7177%0.773SS**  trans-83.7171.3-151-67.8155.2-68.400118.2
224S32.8Very low40Very low106 Ų106142.3 Ų142.374%0.74177%0.766SS**  trans75.195.6148.947.70000121.7
225S44.7Very low41.1Very low111 Ų111138.1 Ų138.178%0.77675%0.75SS**  56.2102.3124.963.50000121.7
226T33Very low41.6Very low137 Ų137139.6 Ų139.684%0.8475%0.749SS**  trans-134.4153.8131.751.10000109.8
227V51.8Low42Very low144 Ų144140.3 Ų140.387%0.87374%0.744SS**  trans-84126.5-177.1176.70000110.4
228S41.1Very low42.5Very low110 Ų110141.8 Ų141.877%0.76975%0.745SS**  trans-133121.2165.440.90000110.2
229I47.8Very low42.8Very low174 Ų174141.8 Ų141.889%0.89275%0.748SS**  trans-72.3144.4176.7-69.1169.6000108.8
230G51Low43Very low71 Ų71143 Ų14373%0.73274%0.742SS**  trans114.914.916400000118.4
231R49.1Very low42.5Very low245 Ų245141.9 Ų141.993%0.92574%0.737SS**  trans-89.9113164-84.8-173.1172173.1-0.8111.5K233R231-K233 PolarHBondContact O-N 2.84Å
232I52.3Low42.8Very low126 Ų126140.1 Ų140.165%0.64673%0.732SS**  trans-59125.7168.2-65.3172.1000108.6P234 Y237I232-P234 WeakPolarHBondContact O-CD 3.44Å; I232-Y237 HydrophobicContact CG2-CD2 3.62Å; I232-Y237 HydrophobicContact CG2-CE2 3.7Å
233K47.1Very low42.9Very low141 Ų141135.3 Ų135.361%0.61372%0.722SS**  trans-82.9118.6168.4-73.8-175.5176.6-179.30108.8R231 E235 L236R231-K233 PolarHBondContact O-N 2.84Å; K233-E235 PolarHBondContact O-N 3.36Å; K233-L236 HydrophobicContact CB-CB 4.4Å; K233-L236 HydrophobicContact CB-CD1 4.34Å; K233-L236 HydrophobicContact CD-CD1 4.3Å; K233-L236 PolarHBondContact O-N 3.02Å
234P53.3Low43.2Very low93 Ų93132.2 Ų132.260%0.60472%0.718SS**G310 helixtrans-58.2-32.5176.6-25.335.7000112.7I232 L236 Y237 K238I232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-L236 PolarHBondContact O-N 2.87Å; P234-Y237 CarbonylContact O-C 3.53Å; P234-Y237 WeakPolarHBondContact O-CA 2.99Å; P234-Y237 PolarHBondContact O-N 3.12Å; P234-K238 PolarHBondContact O-N 2.99Å
235E54.1Low43.7Very low129 Ų129136.9 Ų136.960%0.60373%0.727SS**G310 helixtrans-61.3-23.1176.4-54.5-55.1143.500114.3K233 K238K233-E235 PolarHBondContact O-N 3.36Å; E235-K238 VanDerWaalsContact CD-NZ 3.33Å; E235-K238 IonicContact OE1-NZ 3.71Å; E235-K238 PolarHBondContact OE1-NZ 2.64Å; E235-K238 WeakPolarHBondContact OE2-CD 3.48Å; E235-K238 WeakPolarHBondContact OE2-CE 3.12Å; E235-K238 IonicContact OE2-NZ 2.73Å; E235-K238 PolarHBondContact OE2-NZ 2.96Å
236L43.9Very low43.3Very low138 Ų138135.5 Ų135.572%0.72371%0.712SS**G310 helixtrans-88.3-9.3173.7-88.5166.5000113.3K233 P234K233-L236 HydrophobicContact CB-CB 4.4Å; K233-L236 HydrophobicContact CB-CD1 4.34Å; K233-L236 HydrophobicContact CD-CD1 4.3Å; K233-L236 PolarHBondContact O-N 3.02Å; P234-L236 PolarHBondContact O-N 2.87Å
237Y43.3Very low43.5Very low175 Ų175138.8 Ų138.869%0.68672%0.717SS**SBendtrans-115.612.1176.1-72.1-94.2000112.3I232 P234 Q239I232-Y237 HydrophobicContact CG2-CD2 3.62Å; I232-Y237 HydrophobicContact CG2-CE2 3.7Å; P234-Y237 CarbonylContact O-C 3.53Å; P234-Y237 WeakPolarHBondContact O-CA 2.99Å; P234-Y237 PolarHBondContact O-N 3.12Å; Y237-Q239 PolarHBondContact O-N 3.43Å
238K42Very low42.8Very low141 Ų141136.3 Ų136.361%0.61371%0.712SS**SBendtrans-66.885.7153.9-78.9178.3-178.81620107.2P234 E235 K240P234-K238 PolarHBondContact O-N 2.99Å; E235-K238 VanDerWaalsContact CD-NZ 3.33Å; E235-K238 IonicContact OE1-NZ 3.71Å; E235-K238 PolarHBondContact OE1-NZ 2.64Å; E235-K238 WeakPolarHBondContact OE2-CD 3.48Å; E235-K238 WeakPolarHBondContact OE2-CE 3.12Å; E235-K238 IonicContact OE2-NZ 2.73Å; E235-K238 PolarHBondContact OE2-NZ 2.96Å; K238-K240 PolarHBondContact O-N 2.93Å
239Q40Very low42.7Very low172 Ų172138.1 Ų138.180%0.80471%0.706SS**  trans-55.1100.2174.1-177.8174.2-7.400107.9Y237 S241Y237-Q239 PolarHBondContact O-N 3.43Å; Q239-S241 PolarHBondContact O-N 3.01Å
240K35.4Very low42.3Very low161 Ų161133 Ų13370%0.770%0.696SS**  trans-53114.7165.2-171.1-170.3178.1-147.30104.9K238 V242 D243K238-K240 PolarHBondContact O-N 2.93Å; K240-V242 PolarHBondContact O-N 2.9Å; K240-D243 WeakPolarHBondContact CE-OD2 3.28Å; K240-D243 IonicContact NZ-OD2 2.77Å; K240-D243 PolarHBondContact NZ-OD2 2.87Å
241S36.6Very low42Very low90 Ų90138.1 Ų138.163%0.62970%0.701SS**  trans-50.8129.3175.444.10000107.2Q239 D243Q239-S241 PolarHBondContact O-N 3.01Å; S241-D243 VanDerWaalsContact C-N 3.35Å; S241-D243 PolarHBondContact O-N 2.81Å
242V35.6Very low42.5Very low114 Ų114130.3 Ų130.369%0.69168%0.68SS**  trans-65.9100.7-175.1178.10000107.5K240 S244K240-V242 PolarHBondContact O-N 2.9Å; V242-S244 PolarHBondContact O-N 2.86Å; V242-S244 PolarHBondContact O-OG 3.4Å
243D33.8Very low43.9Very low111 Ų111130.5 Ų130.559%0.59468%0.678SS**  trans-55.298.8157.9-60.5-47.5000104.9K240 S241K240-D243 WeakPolarHBondContact CE-OD2 3.28Å; K240-D243 IonicContact NZ-OD2 2.77Å; K240-D243 PolarHBondContact NZ-OD2 2.87Å; S241-D243 VanDerWaalsContact C-N 3.35Å; S241-D243 PolarHBondContact O-N 2.81Å
244S38.6Very low45.9Very low88 Ų88128.1 Ų128.162%0.61567%0.671SS**  trans-67.9141.3-178-62.90000108.1V242 D246V242-S244 PolarHBondContact O-N 2.86Å; V242-S244 PolarHBondContact O-OG 3.4Å; S244-D246 PolarHBondContact O-N 2.86Å
245E43Very low47.7Very low203 Ų203124.4 Ų124.495%0.94965%0.647SS**  trans-68.981.8177.3-65.3175.8150.900109
246D36.2Very low49.6Very low83 Ų83118.5 Ų118.544%0.44462%0.621SS.*  trans-112.339.6-172.9-1553.5000109.8S244 A248 K249S244-D246 PolarHBondContact O-N 2.86Å; D246-A248 PolarHBondContact O-N 2.85Å; D246-K249 PolarHBondContact O-N 2.78Å; D246-K249 IonicContact OD1-NZ 2.81Å; D246-K249 PolarHBondContact OD1-NZ 3.12Å; D246-K249 IonicContact OD2-NZ 3.72Å; D246-K249 PolarHBondContact OD2-NZ 2.9Å
247E36.5Very low52.1Low205 Ų205115.8 Ų115.896%0.95860%0.603SS**THydrogen-bonded Turntrans-67.747.5171.9-68.9-163131.600112
248A38.3Very low54.7Low93 Ų93107.4 Ų107.477%0.76957%0.57SS**THydrogen-bonded Turntrans-143.90.5178.800000113.3D246D246-A248 PolarHBondContact O-N 2.85Å
249K38.6Very low57.3Low148 Ų148100.8 Ų100.864%0.64354%0.542SS*.SBendtrans-101.9125.9168.5-65.3-174.3-17971.50109.4D246D246-K249 PolarHBondContact O-N 2.78Å; D246-K249 IonicContact OD1-NZ 2.81Å; D246-K249 PolarHBondContact OD1-NZ 3.12Å; D246-K249 IonicContact OD2-NZ 3.72Å; D246-K249 PolarHBondContact OD2-NZ 2.9Å
250G40.5Very low60Low65 Ų6592.6 Ų92.667%0.6750%0.504SS*.  trans-58.7143.7-178.700000111.9V252G250-V252 VanDerWaalsContact C-N 3.34Å; G250-V252 PolarHBondContact O-N 2.93Å
251H42.9Very low62.9Low180 Ų18085 Ų8583%0.83347%0.471SS*.  trans-67.391176.2179-72.7000109.6E253H251-E253 PolarHBondContact O-N 2.92Å
252V60.8Low65.7Low80 Ų8080.8 Ų80.849%0.48544%0.441SS..  trans-66102178-174.70000108.7G250 H378G250-V252 VanDerWaalsContact C-N 3.34Å; G250-V252 PolarHBondContact O-N 2.93Å; V252-H378 HydrophobicContact CG1-CB 3.73Å; V252-H378 WeakPolarHBondContact CG1-ND1 3.24Å
253E81.2Confident68.5Low130 Ų13078.1 Ų78.161%0.60742%0.423SS*.  trans-60.4142.5176-178.3170-162.600110.4H251 A379H251-E253 PolarHBondContact O-N 2.92Å; E253-A379 HydrophobicContact CB-CB 3.79Å; E253-A379 HydrophobicContact CG-CB 4.37Å; E253-A379 VanDerWaalsContact O-CB 3.32Å; E253-A379 WeakPolarHBondContact O-CB 3.36Å; E253-A379 PolarHBondContact O-N 3.28Å
254I89.4Confident71.3Confident92 Ų9273.4 Ų73.447%0.47240%0.397SS..EExtended strand (participates in β ladder)trans-108.9112.8-176-62.5175.2000108.6G256 D376 I377I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 WeakPolarHBondContact CG2-O 3.1Å; I254-G256 PolarHBondContact O-N 2.8Å; I254-D376 HydrophobicContact CG2-CB 4.01Å; I254-I377 CarbonylContact C-O 3.56Å; I254-I377 WeakPolarHBondContact CA-O 3.49Å
255C90.9Very high73.9Confident14 Ų1471 Ų7110%0.09538%0.377CS..EExtended strand (participates in β ladder)trans-96.446.7-174.8-63.40000112.1L281 P282 I353 I377 A379C255-L281 WeakPolarHBondContact O-CD2 3.37Å; C255-P282 HydrophobicContact CB-CG 3.92Å; C255-P282 WeakPolarHBondContact O-CD 2.97Å; C255-I353 HydrophobicContact CB-CG2 4.04Å; C255-I353 WeakPolarHBondContact CB-O 3.4Å; C255-I353 PolarHBondContact SG-O 3.38Å; C255-I377 HydrophobicContact CB-CG2 4.19Å; C255-I377 PolarHBondContact N-O 2.74Å; C255-A379 VanDerWaalsContact SG-CB 3.58Å
256G94.3Very high76.3Confident6 Ų667.2 Ų67.26%0.06236%0.355CS..EExtended strand (participates in β ladder)trans93.4-160.1-178.500000114.1I254 L279 D280 I377I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 WeakPolarHBondContact CG2-O 3.1Å; I254-G256 PolarHBondContact O-N 2.8Å; G256-L279 CarbonylContact C-O 3.48Å; G256-L279 VanDerWaalsContact CA-O 3.24Å; G256-L279 WeakPolarHBondContact CA-O 3.25Å; G256-D280 WeakPolarHBondContact CA-O 3.39Å; G256-D280 PolarHBondContact N-O 2.99Å; G256-I377 PolarHBondContact O-N 2.73Å
257K96.6Very high79Confident80 Ų8072 Ų7235%0.34838%0.375SS..EExtended strand (participates in β ladder)trans-136140.1-177.2-54.7-174.6-175.8-770111.6A278 L279 W374 K375 D376K257-A278 CarbonylContact O-C 3.46Å; K257-A278 WeakPolarHBondContact O-CA 3Å; K257-A278 WeakPolarHBondContact O-CB 3.45Å; K257-L279 PolarHBondContact N-O 2.77Å; K257-L279 PolarHBondContact O-N 3.25Å; K257-W374 HydrophobicContact CB-CE3 4.01Å; K257-W374 HydrophobicContact CB-CZ3 4.2Å; K257-K375 CarbonylContact C-O 3.59Å; K257-K375 WeakPolarHBondContact CA-O 3.47Å; K257-D376 WeakPolarHBondContact CG-OD1 3.31Å; K257-D376 IonicContact NZ-OD1 3.62Å; K257-D376 PolarHBondContact NZ-OD1 2.9Å; K257-D376 IonicContact NZ-OD2 2.73Å
258L97.5Very high81.7Confident0 Ų069.1 Ų69.10%036%0.361CS..EExtended strand (participates in β ladder)trans-105.8137.8174.6-172.964.7000110.6F260 I275 A278 V294 F339 V356 W374 K375 I377L258-F260 HydrophobicContact CD2-CD1 4.36Å; L258-F260 HydrophobicContact CG-CD1 4.28Å; L258-I275 HydrophobicContact CD1-CG2 4.19Å; L258-A278 HydrophobicContact CD1-CB 4.09Å; L258-V294 HydrophobicContact CD1-CG2 4.25Å; L258-F339 HydrophobicContact CD2-CB 3.72Å; L258-F339 HydrophobicContact CD2-CD1 4.19Å; L258-F339 HydrophobicContact CD2-CD2 4.02Å; L258-F339 HydrophobicContact CD2-CG 3.72Å; L258-V356 HydrophobicContact CB-CG2 4.21Å; L258-V356 HydrophobicContact CD2-CG2 4.33Å; L258-W374 WeakPolarHBondContact O-CA 3.43Å; L258-K375 PolarHBondContact N-O 3.15Å; L258-K375 PolarHBondContact O-N 2.87Å; L258-I377 HydrophobicContact CB-CD1 4.13Å; L258-I377 HydrophobicContact CB-CG1 3.95Å
259S97.4Very high84.3Confident2 Ų270.4 Ų70.41%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-118.9130.7172.5-170.20000111.4L276 K277 V372 V373S259-L276 PolarHBondContact O-N 3.4Å; S259-K277 WeakPolarHBondContact CA-O 3.49Å; S259-K277 WeakPolarHBondContact CB-O 3.18Å; S259-K277 PolarHBondContact N-O 2.86Å; S259-K277 PolarHBondContact O-N 2.61Å; S259-V372 WeakPolarHBondContact OG-CG1 3.44Å; S259-V373 WeakPolarHBondContact CA-O 3.41Å; S259-V373 PolarHBondContact OG-O 3.31Å
260F96.9Very high87Confident0 Ų063.6 Ų63.60%032%0.322CS..EExtended strand (participates in β ladder)trans-149162.8-178.859.5-88.1000109.7L258 L262 R274 I275 F339 V358 V373 K375L258-F260 HydrophobicContact CD2-CD1 4.36Å; L258-F260 HydrophobicContact CG-CD1 4.28Å; F260-L262 HydrophobicContact CD2-CD2 3.93Å; F260-L262 HydrophobicContact CD2-CG 4.01Å; F260-L262 HydrophobicContact CE2-CD1 4.08Å; F260-L262 HydrophobicContact CE2-CD2 4.09Å; F260-L262 HydrophobicContact CE2-CG 3.93Å; F260-R274 CarbonylContact C-O 3.47Å; F260-R274 WeakPolarHBondContact CA-O 3.17Å; F260-R274 VanDerWaalsContact CB-O 3.27Å; F260-R274 WeakPolarHBondContact CB-O 3.25Å; F260-I275 HydrophobicContact CB-CD1 4.16Å; F260-F339 HydrophobicContact CB-CZ 4.44Å; F260-F339 AromaticContact CD1-CE2 3.86Å; F260-F339 HydrophobicContact CD1-CE2 3.86Å; F260-F339 AromaticContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD2-CE2 4.21Å; F260-F339 AromaticContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CE1-CD2 4.37Å; F260-F339 AromaticContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CZ 4.15Å; F260-F339 HydrophobicContact CE2-CE2 4Å; F260-F339 HydrophobicContact CE2-CZ 4.01Å; F260-F339 HydrophobicContact CG-CE2 4.15Å; F260-F339 AromaticContact CG-CZ 3.81Å; F260-F339 HydrophobicContact CG-CZ 3.81Å; F260-F339 AromaticContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CZ 4.17Å; F260-V358 HydrophobicContact CZ-CG2 3.98Å; F260-V373 HydrophobicContact CD2-CB 4.19Å; F260-V373 HydrophobicContact CE1-CB 4.29Å; F260-V373 HydrophobicContact CE1-CG1 3.95Å; F260-V373 HydrophobicContact CE2-CB 3.77Å; F260-V373 HydrophobicContact CE2-CG1 3.9Å; F260-V373 HydrophobicContact CE2-CG2 4.14Å; F260-V373 HydrophobicContact CZ-CB 3.83Å; F260-V373 HydrophobicContact CZ-CG1 3.46Å; F260-V373 VanDerWaalsContact CZ-CG1 3.46Å; F260-V373 PolarHBondContact N-O 3.04Å; F260-V373 PolarHBondContact O-N 2.98Å; F260-K375 HydrophobicContact CE1-CB 4.33Å; F260-K375 HydrophobicContact CE1-CG 4.11Å; F260-K375 HydrophobicContact CZ-CG 4.28Å
261S95.4Very high89.5Confident2 Ų260.5 Ų60.51%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-121.4150.7168.451.20000111.2R274 E370 A371S261-R274 PolarHBondContact N-O 2.63Å; S261-R274 PolarHBondContact O-N 2.82Å; S261-E370 WeakPolarHBondContact CB-OE1 3.38Å; S261-E370 PolarHBondContact OG-OE1 3.06Å; S261-A371 VanDerWaalsContact CA-O 3.27Å; S261-A371 WeakPolarHBondContact CA-O 3.45Å; S261-A371 WeakPolarHBondContact CB-O 3.48Å
262L94.6Very high92Very high0 Ų052.7 Ų52.70%026%0.255CS..EExtended strand (participates in β ladder)trans-120.5142.7177.3-57.3179.9000109.5F260 V273 L337 L361 L367F260-L262 HydrophobicContact CD2-CD2 3.93Å; F260-L262 HydrophobicContact CD2-CG 4.01Å; F260-L262 HydrophobicContact CE2-CD1 4.08Å; F260-L262 HydrophobicContact CE2-CD2 4.09Å; F260-L262 HydrophobicContact CE2-CG 3.93Å; L262-V273 HydrophobicContact CD2-CB 4.36Å; L262-V273 HydrophobicContact CD2-CG1 4.11Å; L262-V273 HydrophobicContact CD2-CG2 3.92Å; L262-L337 HydrophobicContact CD2-CD2 3.55Å; L262-L361 HydrophobicContact CD1-CD2 4.15Å; L262-L367 HydrophobicContact CB-CD2 3.7Å; L262-L367 HydrophobicContact CD1-CD2 4.26Å
263L94.3Very high93.6Very high59 Ų5948.9 Ų48.931%0.30923%0.232SC..EExtended strand (participates in β ladder)trans-150.8143.7172.8179.371.6000107.9V272L263-V272 HydrophobicContact CB-CB 4.29Å; L263-V272 PolarHBondContact N-O 2.87Å; L263-V272 VanDerWaalsContact N-O 3.09Å; L263-V272 WeakPolarHBondContact O-CA 3.07Å; L263-V272 WeakPolarHBondContact O-CB 3.09Å; L263-V272 PolarHBondContact O-N 3.16Å
264Y93.8Very high94.4Very high11 Ų1145.9 Ų45.94%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-101.8126.4170.4-171.1-97.2000111.2Y266 Q269 A270 V327 Y329 L332 L367Y264-Y266 AromaticContact CD1-CD1 3.65Å; Y264-Y266 HydrophobicContact CD1-CD1 3.65Å; Y264-Y266 AromaticContact CD1-CD2 3.88Å; Y264-Y266 HydrophobicContact CD1-CD2 3.88Å; Y264-Y266 AromaticContact CD1-CE1 3.7Å; Y264-Y266 HydrophobicContact CD1-CE1 3.7Å; Y264-Y266 AromaticContact CD1-CE2 3.92Å; Y264-Y266 HydrophobicContact CD1-CE2 3.92Å; Y264-Y266 AromaticContact CD1-CG 3.75Å; Y264-Y266 HydrophobicContact CD1-CG 3.75Å; Y264-Y266 AromaticContact CD1-CZ 3.84Å; Y264-Y266 AromaticContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CE1 4.05Å; Y264-Y266 AromaticContact CE1-CG 4Å; Y264-Y266 HydrophobicContact CE1-CG 4Å; Y264-Y266 WeakPolarHBondContact O-CD2 3.44Å; Y264-Q269 WeakPolarHBondContact OH-CA 3.4Å; Y264-A270 WeakPolarHBondContact CD2-O 3.33Å; Y264-V327 WeakPolarHBondContact CE2-O 3.38Å; Y264-V327 PolarHBondContact OH-O 2.97Å; Y264-Y329 AromaticContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CE2 4.37Å; Y264-Y329 HydrophobicContact CD2-CD2 4.36Å; Y264-Y329 AromaticContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CG 4.33Å; Y264-Y329 AromaticContact CG-CD2 3.92Å; Y264-Y329 HydrophobicContact CG-CD2 3.92Å; Y264-Y329 PolarHBondContact OH-N 3.28Å; Y264-L332 HydrophobicContact CD2-CD1 3.66Å; Y264-L332 HydrophobicContact CE2-CD1 3.93Å; Y264-L332 HydrophobicContact CG-CD1 4.45Å; Y264-L367 PolarHBondContact N-O 3.42Å
265D93.8Very high94.8Very high39 Ų3941.5 Ų41.521%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-89.5108174.1-167.1-35.5000108.8E267 E268 Q269 A270 V272D265-E267 PolarHBondContact OD1-N 2.94Å; D265-E267 VanDerWaalsContact OD1-N 3.09Å; D265-E268 HydrophobicContact CB-CB 4.49Å; D265-E268 PolarHBondContact OD1-N 3.1Å; D265-Q269 VanDerWaalsContact O-CA 3.25Å; D265-Q269 WeakPolarHBondContact O-CA 3.42Å; D265-Q269 PolarHBondContact O-N 3.21Å; D265-A270 HydrophobicContact CB-CB 4.5Å; D265-A270 WeakPolarHBondContact CB-O 3.27Å; D265-A270 PolarHBondContact N-O 3.16Å; D265-A270 PolarHBondContact O-N 3.08Å; D265-V272 HydrophobicContact CB-CG2 3.95Å
266Y92.1Very high95.1Very high122 Ų12242.1 Ų42.148%0.47820%0.195SC..THydrogen-bonded Turntrans-79.4-18.5-178.5-66.3-90.9000113.3Y264 Y329Y264-Y266 AromaticContact CD1-CD1 3.65Å; Y264-Y266 HydrophobicContact CD1-CD1 3.65Å; Y264-Y266 AromaticContact CD1-CD2 3.88Å; Y264-Y266 HydrophobicContact CD1-CD2 3.88Å; Y264-Y266 AromaticContact CD1-CE1 3.7Å; Y264-Y266 HydrophobicContact CD1-CE1 3.7Å; Y264-Y266 AromaticContact CD1-CE2 3.92Å; Y264-Y266 HydrophobicContact CD1-CE2 3.92Å; Y264-Y266 AromaticContact CD1-CG 3.75Å; Y264-Y266 HydrophobicContact CD1-CG 3.75Å; Y264-Y266 AromaticContact CD1-CZ 3.84Å; Y264-Y266 AromaticContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CE1 4.05Å; Y264-Y266 AromaticContact CE1-CG 4Å; Y264-Y266 HydrophobicContact CE1-CG 4Å; Y264-Y266 WeakPolarHBondContact O-CD2 3.44Å; Y266-Y329 AromaticContact CE1-CD2 3.72Å; Y266-Y329 HydrophobicContact CE1-CD2 3.72Å; Y266-Y329 AromaticContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CG 4.31Å; Y266-Y329 AromaticContact CZ-CE2 3.82Å; Y266-Y329 VanDerWaalsContact OH-CE2 3.22Å; Y266-Y329 WeakPolarHBondContact OH-CE2 3.42Å
267E93.2Very high95.2Very high185 Ų18545.5 Ų45.586%0.86421%0.208SC*.THydrogen-bonded Turntrans-84-47.9179.3-60.8-170.6166.600110.1D265 Q269D265-E267 PolarHBondContact OD1-N 2.94Å; D265-E267 VanDerWaalsContact OD1-N 3.09Å; E267-Q269 VanDerWaalsContact C-N 3.35Å
268E92.5Very high95.3Very high144 Ų14441.7 Ų41.767%0.67319%0.192SC*.THydrogen-bonded Turntrans-87-0.4177.5-67.9-70.6146.700113.8D265 A270D265-E268 HydrophobicContact CB-CB 4.49Å; D265-E268 PolarHBondContact OD1-N 3.1Å; E268-A270 PolarHBondContact O-N 3.46Å
269Q94.3Very high95.2Very high120 Ų12044.1 Ų44.156%0.56121%0.205SC*.THydrogen-bonded Turntrans48.555.4-176-59.8-167.5-18.500113.1Y264 D265 E267 V327Y264-Q269 WeakPolarHBondContact OH-CA 3.4Å; D265-Q269 VanDerWaalsContact O-CA 3.25Å; D265-Q269 WeakPolarHBondContact O-CA 3.42Å; D265-Q269 PolarHBondContact O-N 3.21Å; E267-Q269 VanDerWaalsContact C-N 3.35Å; Q269-V327 CarbonylContact C-O 3.57Å; Q269-V327 CarbonylContact O-C 3.54Å; Q269-V327 PolarHBondContact O-N 2.66Å
270A94.2Very high95.1Very high4 Ų449.2 Ų49.23%0.03323%0.232CC..EExtended strand (participates in β ladder)trans-138.8137.6-17200000113.6Y264 D265 E268 V272 R324 F325Y264-A270 WeakPolarHBondContact CD2-O 3.33Å; D265-A270 HydrophobicContact CB-CB 4.5Å; D265-A270 WeakPolarHBondContact CB-O 3.27Å; D265-A270 PolarHBondContact N-O 3.16Å; D265-A270 PolarHBondContact O-N 3.08Å; E268-A270 PolarHBondContact O-N 3.46Å; A270-V272 PolarHBondContact O-N 2.87Å; A270-R324 HydrophobicContact CB-CB 4.5Å; A270-F325 CarbonylContact C-O 3.54Å; A270-F325 VanDerWaalsContact CA-O 3.27Å; A270-F325 WeakPolarHBondContact CA-O 3.04Å
271L93.6Very high95Very high0 Ų049.5 Ų49.50%023%0.233CC..EExtended strand (participates in β ladder)trans-76.3114.4165-178.369.1000109V273 L298 F325 V327 L332 L361 L367L271-V273 HydrophobicContact CD2-CG2 3.98Å; L271-V273 HydrophobicContact CG-CG2 3.9Å; L271-L298 HydrophobicContact CD2-CD1 4.12Å; L271-F325 HydrophobicContact CB-CB 4.45Å; L271-F325 PolarHBondContact N-O 2.83Å; L271-F325 PolarHBondContact O-N 2.76Å; L271-V327 HydrophobicContact CB-CG1 4.02Å; L271-L332 HydrophobicContact CB-CD2 4.24Å; L271-L332 HydrophobicContact CD2-CD2 4.19Å; L271-L361 HydrophobicContact CD2-CD1 3.99Å; L271-L367 HydrophobicContact CD1-CD1 4.41Å; L271-L367 HydrophobicContact CD1-CD2 4.26Å
272V95Very high94.8Very high16 Ų1651.4 Ų51.410%0.09725%0.246CC..EExtended strand (participates in β ladder)trans-86.3125.7172.4-169.20000108.4L263 D265 A270 T322 F323 R324L263-V272 HydrophobicContact CB-CB 4.29Å; L263-V272 PolarHBondContact N-O 2.87Å; L263-V272 VanDerWaalsContact N-O 3.09Å; L263-V272 WeakPolarHBondContact O-CA 3.07Å; L263-V272 WeakPolarHBondContact O-CB 3.09Å; L263-V272 PolarHBondContact O-N 3.16Å; D265-V272 HydrophobicContact CB-CG2 3.95Å; A270-V272 PolarHBondContact O-N 2.87Å; V272-T322 HydrophobicContact CG1-CG2 3.47Å; V272-T322 VanDerWaalsContact CG1-CG2 3.47Å; V272-F323 WeakPolarHBondContact CA-O 3.32Å; V272-R324 HydrophobicContact CG2-CG 4.33Å
273V95.7Very high94.5Very high0 Ų053.8 Ų53.80%027%0.265CS..EExtended strand (participates in β ladder)trans-126.6116-178.4-178.80000108.2L262 L271 I275 I296 F323 F325 L337 F339L262-V273 HydrophobicContact CD2-CB 4.36Å; L262-V273 HydrophobicContact CD2-CG1 4.11Å; L262-V273 HydrophobicContact CD2-CG2 3.92Å; L271-V273 HydrophobicContact CD2-CG2 3.98Å; L271-V273 HydrophobicContact CG-CG2 3.9Å; V273-I275 HydrophobicContact CG1-CD1 4.24Å; V273-I296 HydrophobicContact CG1-CG2 4.49Å; V273-F323 PolarHBondContact N-O 3.25Å; V273-F323 PolarHBondContact O-N 3.43Å; V273-F325 HydrophobicContact CB-CE2 4.45Å; V273-F325 HydrophobicContact CG2-CD2 3.91Å; V273-F325 HydrophobicContact CG2-CE2 4.01Å; V273-L337 HydrophobicContact CG1-CD2 3.94Å; V273-L337 HydrophobicContact CG2-CD1 4.17Å; V273-L337 HydrophobicContact CG2-CD2 3.84Å; V273-F339 HydrophobicContact CG1-CE1 3.82Å; V273-F339 HydrophobicContact CG1-CZ 4.11Å
274R96.8Very high94.1Very high67 Ų6755.2 Ų55.225%0.25327%0.269SS..EExtended strand (participates in β ladder)trans-113.9117.5-179.6174.6179.5175.8-153.34.4110.4F260 S261 L276 D320 E321 T322 E370F260-R274 CarbonylContact C-O 3.47Å; F260-R274 WeakPolarHBondContact CA-O 3.17Å; F260-R274 VanDerWaalsContact CB-O 3.27Å; F260-R274 WeakPolarHBondContact CB-O 3.25Å; S261-R274 PolarHBondContact N-O 2.63Å; S261-R274 PolarHBondContact O-N 2.82Å; R274-L276 HydrophobicContact CG-CD2 3.89Å; R274-L276 HydrophobicContact CG-CG 4.48Å; R274-D320 IonicContact CZ-OD1 2.74Å; R274-D320 IonicContact NE-OD1 2.59Å; R274-D320 PolarHBondContact NE-OD1 2.84Å; R274-D320 IonicContact NH2-OD1 3.28Å; R274-D320 PolarHBondContact NH2-OD1 2.65Å; R274-D320 IonicContact NH2-OD2 2.7Å; R274-D320 PolarHBondContact NH2-OD2 2.73Å; R274-E321 CarbonylContact C-O 3.57Å; R274-E321 WeakPolarHBondContact CA-O 3.46Å; R274-T322 HydrophobicContact CB-CG2 4.33Å; R274-T322 WeakPolarHBondContact CG-OG1 3.36Å; R274-E370 WeakPolarHBondContact CD-OE1 3.37Å; R274-E370 IonicContact CZ-OE1 3.55Å; R274-E370 IonicContact NE-OE1 3.16Å; R274-E370 IonicContact NH1-OE1 2.67Å; R274-E370 PolarHBondContact NH1-OE1 2.94Å; R274-E370 IonicContact NH1-OE2 3.97Å
275I97.9Very high93.3Very high0 Ų057 Ų570%028%0.279CS..EExtended strand (participates in β ladder)trans-85.3117.4175.8-50.4-56.8000107.8L258 F260 V273 V294 I296 T308 F319 D320 E321 F323 F339L258-I275 HydrophobicContact CD1-CG2 4.19Å; F260-I275 HydrophobicContact CB-CD1 4.16Å; V273-I275 HydrophobicContact CG1-CD1 4.24Å; I275-V294 HydrophobicContact CG2-CG2 4.44Å; I275-I296 HydrophobicContact CD1-CD1 3.76Å; I275-I296 HydrophobicContact CD1-CG1 4.35Å; I275-I296 HydrophobicContact CG1-CD1 3.63Å; I275-I296 HydrophobicContact CG1-CG1 4.47Å; I275-T308 HydrophobicContact CB-CG2 4.21Å; I275-T308 HydrophobicContact CG1-CG2 4.14Å; I275-T308 HydrophobicContact CG2-CG2 4.31Å; I275-F319 HydrophobicContact CB-CB 4.43Å; I275-F319 HydrophobicContact CG2-CB 4.12Å; I275-F319 HydrophobicContact CG2-CD2 3.54Å; I275-F319 HydrophobicContact CG2-CE2 4.2Å; I275-F319 HydrophobicContact CG2-CG 4.02Å; I275-D320 VanDerWaalsContact O-CA 3.24Å; I275-D320 WeakPolarHBondContact O-CA 3.11Å; I275-D320 PolarHBondContact O-N 2.76Å; I275-E321 PolarHBondContact N-O 3.23Å; I275-E321 PolarHBondContact O-N 2.87Å; I275-F323 HydrophobicContact CG1-CD2 4.28Å; I275-F323 HydrophobicContact CG1-CE2 3.96Å; I275-F339 HydrophobicContact CD1-CD1 3.76Å; I275-F339 HydrophobicContact CD1-CE1 3.42Å; I275-F339 VanDerWaalsContact CD1-CE1 3.42Å; I275-F339 HydrophobicContact CD1-CZ 4.34Å
276L97.1Very high92.4Very high27 Ų2766 Ų6614%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-91.4-62.2-174.3-62.1166.6000110.1S259 R274 T318 F319 D320 V372S259-L276 PolarHBondContact O-N 3.4Å; R274-L276 HydrophobicContact CG-CD2 3.89Å; R274-L276 HydrophobicContact CG-CG 4.48Å; L276-T318 CarbonylContact O-C 3.42Å; L276-F319 PolarHBondContact O-N 2.82Å; L276-D320 PolarHBondContact O-N 2.92Å; L276-D320 VanDerWaalsContact O-N 3.16Å; L276-V372 HydrophobicContact CD1-CB 4.34Å; L276-V372 HydrophobicContact CD1-CG1 3.75Å; L276-V372 HydrophobicContact CD1-CG2 3.83Å
277K97.4Very high91.6Very high78 Ų7864.2 Ų64.234%0.33932%0.318SS..EExtended strand (participates in β ladder)trans-162.7162.3-178.355.2177.6172.8173.70112S259 P317 T318 W374S259-K277 WeakPolarHBondContact CA-O 3.49Å; S259-K277 WeakPolarHBondContact CB-O 3.18Å; S259-K277 PolarHBondContact N-O 2.86Å; S259-K277 PolarHBondContact O-N 2.61Å; K277-P317 CarbonylContact C-O 3.4Å; K277-P317 WeakPolarHBondContact CA-O 3.37Å; K277-P317 WeakPolarHBondContact CB-O 3.28Å; K277-T318 HydrophobicContact CB-CG2 4.4Å; K277-W374 HydrophobicContact CD-CH2 4.28Å; K277-W374 HydrophobicContact CG-CH2 4.16Å
278A97.6Very high91Very high0 Ų057.7 Ų57.70%030%0.301CS..EExtended strand (participates in β ladder)trans-115159.2160.500000110.5K257 L258 L281 N316 P317 F319 I377K257-A278 CarbonylContact O-C 3.46Å; K257-A278 WeakPolarHBondContact O-CA 3Å; K257-A278 WeakPolarHBondContact O-CB 3.45Å; L258-A278 HydrophobicContact CD1-CB 4.09Å; A278-L281 HydrophobicContact CB-CD1 4.12Å; A278-L281 HydrophobicContact CB-CD2 3.97Å; A278-L281 HydrophobicContact CB-CG 4.15Å; A278-N316 CarbonylContact O-C 3.07Å; A278-N316 WeakPolarHBondContact O-CA 3.22Å; A278-P317 HydrophobicContact CB-CG 3.94Å; A278-P317 PolarHBondContact N-O 2.94Å; A278-F319 HydrophobicContact CB-CE2 4.29Å; A278-I377 HydrophobicContact CB-CD1 4.45Å
279L96.5Very high90.8Very high51 Ų5152.2 Ų52.227%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-129.8154.1174.9-63179.1000110.8G256 K257 L281 N316 W374G256-L279 CarbonylContact C-O 3.48Å; G256-L279 VanDerWaalsContact CA-O 3.24Å; G256-L279 WeakPolarHBondContact CA-O 3.25Å; K257-L279 PolarHBondContact N-O 2.77Å; K257-L279 PolarHBondContact O-N 3.25Å; L279-L281 VanDerWaalsContact C-N 3.25Å; L279-L281 PolarHBondContact O-N 2.87Å; L279-N316 VanDerWaalsContact CA-OD1 3.23Å; L279-N316 WeakPolarHBondContact CA-OD1 3.31Å; L279-N316 HydrophobicContact CD2-CB 4.2Å; L279-N316 VanDerWaalsContact CD2-OD1 3.22Å; L279-N316 WeakPolarHBondContact CD2-OD1 3.36Å; L279-W374 HydrophobicContact CB-CZ3 4.44Å; L279-W374 HydrophobicContact CD1-CH2 3.41Å; L279-W374 VanDerWaalsContact CD1-CH2 3.41Å; L279-W374 HydrophobicContact CD1-CZ2 4.47Å; L279-W374 HydrophobicContact CD1-CZ3 3.63Å; L279-W374 HydrophobicContact CG-CH2 3.77Å; L279-W374 HydrophobicContact CG-CZ3 3.84Å
280D94.3Very high90.7Very high109 Ų10946.5 Ų46.558%0.58325%0.251SS*.SBendtrans52.936.9169.6-53.3-45.8000114.6G256 L315 N316G256-D280 WeakPolarHBondContact CA-O 3.39Å; G256-D280 PolarHBondContact N-O 2.99Å; D280-L315 PolarHBondContact N-O 3.11Å; D280-N316 PolarHBondContact N-OD1 3.21Å; D280-N316 VanDerWaalsContact N-OD1 3.1Å
281L94.6Very high90.7Very high5 Ų547 Ų473%0.02625%0.253CS..PPolyproline II helixtrans-65.5145.8174.8-58.9-178.2000110.8C255 A278 L279 P292 L315 P317 V341 I353 I377C255-L281 WeakPolarHBondContact O-CD2 3.37Å; A278-L281 HydrophobicContact CB-CD1 4.12Å; A278-L281 HydrophobicContact CB-CD2 3.97Å; A278-L281 HydrophobicContact CB-CG 4.15Å; L279-L281 VanDerWaalsContact C-N 3.25Å; L279-L281 PolarHBondContact O-N 2.87Å; L281-P292 HydrophobicContact CD1-CB 3.64Å; L281-P292 HydrophobicContact CD1-CG 3.87Å; L281-L315 HydrophobicContact CB-CB 4.43Å; L281-L315 WeakPolarHBondContact CB-O 3.2Å; L281-L315 WeakPolarHBondContact CG-O 3.39Å; L281-L315 PolarHBondContact N-O 3.34Å; L281-L315 WeakPolarHBondContact O-CB 3.22Å; L281-P317 HydrophobicContact CD1-CG 3.89Å; L281-V341 HydrophobicContact CD1-CG1 4.44Å; L281-V341 HydrophobicContact CD2-CG1 4.38Å; L281-I353 HydrophobicContact CD1-CD1 4.47Å; L281-I353 HydrophobicContact CD2-CG2 4.24Å; L281-I377 HydrophobicContact CD2-CD1 3.38Å
282P91.3Very high90.8Very high43 Ų4347 Ų4728%0.27925%0.253SS..PPolyproline II helixtrans-67.2141.5171.829-35.6000111.1C255 S290 I353C255-P282 HydrophobicContact CB-CG 3.92Å; C255-P282 WeakPolarHBondContact O-CD 2.97Å; P282-S290 PolarHBondContact O-OG 3.39Å; P282-I353 HydrophobicContact CG-CG2 3.8Å
283A89.3Confident90.9Very high49 Ų4946.3 Ų46.341%0.40525%0.248SC..PPolyproline II helixtrans-69.2128.1167.200000110.2G288 T289 S290 L315A283-G288 VanDerWaalsContact CB-C 3.48Å; A283-T289 WeakPolarHBondContact CA-O 3.41Å; A283-S290 WeakPolarHBondContact CA-OG 3.43Å; A283-L315 HydrophobicContact CB-CD1 4.3Å; A283-L315 HydrophobicContact CB-CD2 4.17Å
284K85.1Confident90.9Very high89 Ų8946.3 Ų46.339%0.38725%0.248SC..  trans-115.9-31.5178.4-72.5-69.4-155.2141.70111.6T289 S290 D343 D351 M352 I353K284-T289 PolarHBondContact N-O 2.86Å; K284-S290 PolarHBondContact N-OG 2.56Å; K284-S290 VanDerWaalsContact N-OG 3.13Å; K284-D343 HydrophobicContact CB-CB 4.2Å; K284-D343 VanDerWaalsContact CB-OD2 3.23Å; K284-D343 WeakPolarHBondContact CB-OD2 3.34Å; K284-D351 WeakPolarHBondContact CD-OD2 3.27Å; K284-D351 WeakPolarHBondContact CE-OD2 3.12Å; K284-D351 IonicContact NZ-OD2 2.92Å; K284-D351 PolarHBondContact NZ-OD2 2.97Å; K284-M352 PolarHBondContact NZ-O 2.84Å; K284-I353 HydrophobicContact CG-CG1 4.15Å
285D78.1Confident90.7Very high49 Ų4944.7 Ų44.726%0.26224%0.243SC..SBendtrans-57.7144168-74.5-59.9000111.9T287 G288 T289 S290D285-T287 VanDerWaalsContact CB-OG1 3.28Å; D285-T287 WeakPolarHBondContact CB-OG1 3.45Å; D285-T287 PolarHBondContact O-N 3.21Å; D285-T287 PolarHBondContact OD2-OG1 3.03Å; D285-G288 PolarHBondContact O-N 3.2Å; D285-T289 VanDerWaalsContact CB-O 3.25Å; D285-T289 WeakPolarHBondContact CB-O 3.31Å; D285-T289 PolarHBondContact N-O 3.03Å; D285-T289 VanDerWaalsContact OD2-C 3.27Å; D285-T289 PolarHBondContact OD2-OG1 3.39Å; D285-S290 WeakPolarHBondContact OD2-CA 3.49Å; D285-S290 PolarHBondContact OD2-N 2.95Å
286F72.9Confident90.5Very high227 Ų22744.7 Ų44.7100%0.99624%0.243SC*.THydrogen-bonded Turntrans-55.2-15159.1-63.1-78.8000114.1G288F286-G288 VanDerWaalsContact C-N 3.33Å
287T75.4Confident90.2Very high85 Ų8545 Ų4552%0.52124%0.243SC..THydrogen-bonded Turntrans-84.70.6176.562.40000114.3D285 T289D285-T287 VanDerWaalsContact CB-OG1 3.28Å; D285-T287 WeakPolarHBondContact CB-OG1 3.45Å; D285-T287 PolarHBondContact O-N 3.21Å; D285-T287 PolarHBondContact OD2-OG1 3.03Å; T287-T289 VanDerWaalsContact C-N 3.34Å; T287-T289 PolarHBondContact OG1-OG1 2.97Å
288G81.5Confident89.7Confident48 Ų4841.6 Ų41.650%0.49523%0.228SC..SBendtrans76.222.4-178.200000113.7A283 D285 F286A283-G288 VanDerWaalsContact CB-C 3.48Å; D285-G288 PolarHBondContact O-N 3.2Å; F286-G288 VanDerWaalsContact C-N 3.33Å
289T88.8Confident88.9Confident29 Ų2943 Ų4318%0.17824%0.236CC..  trans-132.6-168.9176.654.60000109.9A283 K284 D285 T287 K313A283-T289 WeakPolarHBondContact CA-O 3.41Å; K284-T289 PolarHBondContact N-O 2.86Å; D285-T289 VanDerWaalsContact CB-O 3.25Å; D285-T289 WeakPolarHBondContact CB-O 3.31Å; D285-T289 PolarHBondContact N-O 3.03Å; D285-T289 VanDerWaalsContact OD2-C 3.27Å; D285-T289 PolarHBondContact OD2-OG1 3.39Å; T287-T289 VanDerWaalsContact C-N 3.34Å; T287-T289 PolarHBondContact OG1-OG1 2.97Å; T289-K313 HydrophobicContact CG2-CB 4.2Å
290S91.9Very high87.6Confident0 Ų045 Ų450%025%0.252CS..  trans-145158.2164.6-49.30000107.2P282 A283 K284 D285 P292 K313 T314 D343P282-S290 PolarHBondContact O-OG 3.39Å; A283-S290 WeakPolarHBondContact CA-OG 3.43Å; K284-S290 PolarHBondContact N-OG 2.56Å; K284-S290 VanDerWaalsContact N-OG 3.13Å; D285-S290 WeakPolarHBondContact OD2-CA 3.49Å; D285-S290 PolarHBondContact OD2-N 2.95Å; S290-P292 WeakPolarHBondContact O-CD 3.44Å; S290-K313 CarbonylContact O-C 3.54Å; S290-K313 WeakPolarHBondContact O-CA 3.27Å; S290-K313 PolarHBondContact O-N 3.47Å; S290-K313 VanDerWaalsContact O-N 3.1Å; S290-T314 PolarHBondContact O-N 3.3Å; S290-D343 WeakPolarHBondContact CA-OD2 3.24Å; S290-D343 VanDerWaalsContact CB-OD2 3.26Å; S290-D343 WeakPolarHBondContact CB-OD2 3.47Å
291D93.5Very high86.2Confident15 Ų1542.9 Ų42.98%0.0824%0.238CC..  trans-100.363.3166.2-88.316.8000110.1V310 H311 R312 K313 D343 F344D291-V310 HydrophobicContact CB-CG1 3.89Å; D291-V310 WeakPolarHBondContact O-CG1 3.43Å; D291-H311 CarbonylContact C-O 3.54Å; D291-H311 VanDerWaalsContact CA-O 3.3Å; D291-H311 WeakPolarHBondContact CA-O 3.46Å; D291-R312 WeakPolarHBondContact OD1-CA 3.29Å; D291-R312 WeakPolarHBondContact OD1-CB 3.33Å; D291-R312 WeakPolarHBondContact OD2-CD 3.31Å; D291-R312 WeakPolarHBondContact OD2-CG 3.36Å; D291-R312 IonicContact OD2-NE 3.54Å; D291-R312 PolarHBondContact OD2-NE 2.7Å; D291-K313 PolarHBondContact OD1-N 3.04Å; D291-D343 WeakPolarHBondContact CA-OD1 3.19Å; D291-D343 PolarHBondContact N-OD1 2.99Å; D291-F344 HydrophobicContact CB-CB 3.98Å; D291-F344 VanDerWaalsContact O-CB 3.31Å; D291-F344 WeakPolarHBondContact O-CB 3.3Å; D291-F344 PolarHBondContact O-N 3.34Å
292P96Very high84.8Confident0 Ų046.2 Ų46.20%025%0.251CS..  trans-68.5150.1-166.728.5-40.2000116.4L281 S290 H311 T314 P317 Y342 I353L281-P292 HydrophobicContact CD1-CB 3.64Å; L281-P292 HydrophobicContact CD1-CG 3.87Å; S290-P292 WeakPolarHBondContact O-CD 3.44Å; P292-H311 WeakPolarHBondContact CD-O 3.48Å; P292-H311 PolarHBondContact O-N 2.88Å; P292-T314 WeakPolarHBondContact CD-O 3.48Å; P292-T314 HydrophobicContact CG-CG2 4.19Å; P292-T314 VanDerWaalsContact CG-O 3.24Å; P292-T314 WeakPolarHBondContact CG-O 3.36Å; P292-P317 HydrophobicContact CB-CG 4.21Å; P292-P317 HydrophobicContact CG-CB 3.89Å; P292-P317 HydrophobicContact CG-CG 3.62Å; P292-Y342 CarbonylContact C-O 3.48Å; P292-Y342 VanDerWaalsContact CA-O 3.28Å; P292-Y342 WeakPolarHBondContact CA-O 3.35Å; P292-I353 HydrophobicContact CB-CD1 4.35Å
293Y96.7Very high83.1Confident1 Ų153.2 Ų53.20%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-149.5161.2167.673.1-76.8000111.9K295 Q307 T308 R309 V310 Y342 D343 F344 H350Y293-K295 HydrophobicContact CE2-CD 4.38Å; Y293-K295 HydrophobicContact CE2-CG 3.93Å; Y293-K295 WeakPolarHBondContact OH-CE 3.34Å; Y293-K295 PolarHBondContact OH-NZ 3.17Å; Y293-K295 VanDerWaalsContact OH-NZ 3.15Å; Y293-Q307 HydrophobicContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CE2-CD 3.44Å; Y293-Q307 HydrophobicContact CE2-CG 3.79Å; Y293-T308 WeakPolarHBondContact CA-OG1 3.42Å; Y293-R309 WeakPolarHBondContact CB-O 3.22Å; Y293-V310 HydrophobicContact CD1-CG2 4.08Å; Y293-V310 HydrophobicContact CG-CG2 4.15Å; Y293-Y342 HydrophobicContact CE1-CG 4.36Å; Y293-Y342 HydrophobicContact CE2-CD2 4.48Å; Y293-Y342 VanDerWaalsContact CZ-CB 3.44Å; Y293-Y342 AromaticContact CZ-CG 3.98Å; Y293-Y342 PolarHBondContact N-O 3.13Å; Y293-Y342 PolarHBondContact O-N 2.73Å; Y293-Y342 WeakPolarHBondContact OH-CB 3.41Å; Y293-D343 WeakPolarHBondContact CE1-O 3.37Å; Y293-F344 HydrophobicContact CD1-CB 4.02Å; Y293-F344 HydrophobicContact CE1-CB 4.14Å; Y293-H350 HydrophobicContact CE1-CB 4.48Å; Y293-H350 AromaticContact CE1-ND1 3.74Å; Y293-H350 AromaticContact CZ-ND1 3.54Å; Y293-H350 PolarHBondContact OH-ND1 3.11Å
294V96.6Very high82.3Confident0 Ų055 Ų550%028%0.275CS..EExtended strand (participates in β ladder)trans-117.3132.2-177.9-171.80000110.9L258 I275 I296 Q307 T308 F319 F339 V341L258-V294 HydrophobicContact CD1-CG2 4.25Å; I275-V294 HydrophobicContact CG2-CG2 4.44Å; V294-I296 HydrophobicContact CG1-CG1 4.41Å; V294-Q307 CarbonylContact O-C 3.58Å; V294-Q307 VanDerWaalsContact O-CA 3.31Å; V294-Q307 WeakPolarHBondContact O-CA 3.5Å; V294-T308 HydrophobicContact CB-CG2 4.03Å; V294-T308 PolarHBondContact N-OG1 3.09Å; V294-T308 PolarHBondContact O-N 2.89Å; V294-F319 HydrophobicContact CG2-CE1 4.42Å; V294-F319 HydrophobicContact CG2-CE2 3.9Å; V294-F319 HydrophobicContact CG2-CZ 3.78Å; V294-F339 HydrophobicContact CG1-CB 4.03Å; V294-F339 HydrophobicContact CG1-CD1 4.34Å; V294-V341 HydrophobicContact CG2-CG2 4.21Å
295K93.1Very high82.1Confident34 Ų3457.6 Ų57.615%0.14829%0.287CS..EExtended strand (participates in β ladder)trans-97.1143164.9-60.8176.7-163.4142.70109.4Y293 Y297 F306 Q307 F339 S340 Y342Y293-K295 HydrophobicContact CE2-CD 4.38Å; Y293-K295 HydrophobicContact CE2-CG 3.93Å; Y293-K295 WeakPolarHBondContact OH-CE 3.34Å; Y293-K295 PolarHBondContact OH-NZ 3.17Å; Y293-K295 VanDerWaalsContact OH-NZ 3.15Å; K295-Y297 HydrophobicContact CB-CE2 3.82Å; K295-F306 CarbonylContact C-O 3.47Å; K295-F306 WeakPolarHBondContact CA-O 3.4Å; K295-Q307 HydrophobicContact CG-CG 4.13Å; K295-F339 WeakPolarHBondContact O-CA 3.5Å; K295-S340 PolarHBondContact N-O 3.41Å; K295-S340 PolarHBondContact O-N 2.86Å; K295-Y342 HydrophobicContact CD-CD2 3.89Å; K295-Y342 HydrophobicContact CD-CE2 3.54Å; K295-Y342 HydrophobicContact CG-CD2 4.13Å; K295-Y342 HydrophobicContact CG-CE2 4.14Å; K295-Y342 VanDerWaalsContact NZ-CD2 3.33Å
296I93.8Very high82.8Confident0 Ų058.5 Ų58.50%029%0.288CS..EExtended strand (participates in β ladder)trans-129.1130.1-174.9-38.2171.6000110.1V273 I275 V294 K305 F306 F323 F325 L337 H338 F339V273-I296 HydrophobicContact CG1-CG2 4.49Å; I275-I296 HydrophobicContact CD1-CD1 3.76Å; I275-I296 HydrophobicContact CD1-CG1 4.35Å; I275-I296 HydrophobicContact CG1-CD1 3.63Å; I275-I296 HydrophobicContact CG1-CG1 4.47Å; V294-I296 HydrophobicContact CG1-CG1 4.41Å; I296-K305 WeakPolarHBondContact O-CA 3.44Å; I296-F306 HydrophobicContact CB-CB 4.35Å; I296-F306 HydrophobicContact CD1-CB 4.29Å; I296-F306 PolarHBondContact N-O 2.89Å; I296-F306 PolarHBondContact O-N 2.89Å; I296-F323 HydrophobicContact CD1-CB 4.46Å; I296-F323 HydrophobicContact CD1-CD2 3.28Å; I296-F323 HydrophobicContact CD1-CE2 3.58Å; I296-F323 HydrophobicContact CD1-CG 3.91Å; I296-F323 HydrophobicContact CD1-CZ 4.41Å; I296-F325 HydrophobicContact CB-CZ 4.14Å; I296-F325 HydrophobicContact CG2-CE2 3.82Å; I296-F325 HydrophobicContact CG2-CZ 3.74Å; I296-L337 HydrophobicContact CG2-CD1 3.74Å; I296-H338 WeakPolarHBondContact CA-O 3.35Å; I296-F339 HydrophobicContact CB-CD1 4.44Å; I296-F339 HydrophobicContact CG1-CD1 4.17Å; I296-F339 HydrophobicContact CG2-CD1 3.78Å; I296-F339 HydrophobicContact CG2-CE1 3.75Å
297Y88.9Confident83.7Confident32 Ų3252.5 Ų52.513%0.12526%0.263CS..EExtended strand (participates in β ladder)trans-131.3138.7179.2-49.6-94000111.1K295 R302 K305 H338K295-Y297 HydrophobicContact CB-CE2 3.82Å; Y297-R302 HydrophobicContact CD1-CB 4.29Å; Y297-R302 HydrophobicContact CD1-CG 4.5Å; Y297-K305 HydrophobicContact CD1-CB 3.71Å; Y297-K305 HydrophobicContact CE1-CB 3.55Å; Y297-K305 HydrophobicContact CE1-CD 4.14Å; Y297-K305 HydrophobicContact CE1-CG 4.48Å; Y297-H338 AromaticContact CD2-ND1 3.78Å; Y297-H338 PolarHBondContact N-O 2.88Å; Y297-H338 PolarHBondContact O-N 2.91Å
298L88.4Confident84.8Confident8 Ų848.7 Ų48.74%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-100.990170.3-17366.8000109.9L271 E301 F325 V327 R335 K336 L337L271-L298 HydrophobicContact CD2-CD1 4.12Å; L298-E301 PolarHBondContact O-N 2.81Å; L298-F325 HydrophobicContact CB-CD1 3.56Å; L298-F325 HydrophobicContact CB-CE1 3.75Å; L298-F325 HydrophobicContact CB-CG 3.98Å; L298-F325 HydrophobicContact CB-CZ 4.31Å; L298-F325 HydrophobicContact CD2-CB 3.79Å; L298-F325 HydrophobicContact CD2-CD1 4.35Å; L298-F325 HydrophobicContact CD2-CG 4.16Å; L298-V327 HydrophobicContact CD2-CB 4.07Å; L298-V327 HydrophobicContact CD2-CG1 3.9Å; L298-V327 HydrophobicContact CD2-CG2 4.26Å; L298-R335 HydrophobicContact CD1-CB 3.8Å; L298-R335 HydrophobicContact CD1-CG 4.41Å; L298-R335 HydrophobicContact CD2-CG 4.43Å; L298-R335 HydrophobicContact CG-CB 4.15Å; L298-R335 HydrophobicContact CG-CG 4.31Å; L298-K336 CarbonylContact C-O 3.59Å; L298-L337 HydrophobicContact CD1-CD1 4.36Å
299L81Confident85.5Confident29 Ų2954.8 Ų54.815%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-63.6143.5-177-51.5-172.4000110.8R302 R335 K336 H338L299-R302 HydrophobicContact CD2-CG 3.59Å; L299-R335 VanDerWaalsContact O-CA 3.25Å; L299-R335 WeakPolarHBondContact O-CA 3.42Å; L299-R335 WeakPolarHBondContact O-CB 3.35Å; L299-R335 VanDerWaalsContact O-CD 3.3Å; L299-R335 WeakPolarHBondContact O-CD 3.39Å; L299-K336 HydrophobicContact CB-CB 4.26Å; L299-K336 WeakPolarHBondContact CB-O 3.42Å; L299-K336 PolarHBondContact N-O 2.77Å; L299-K336 PolarHBondContact O-N 2.63Å; L299-K336 VanDerWaalsContact O-N 3.12Å; L299-H338 HydrophobicContact CD1-CB 3.82Å; L299-H338 HydrophobicContact CD2-CB 4.24Å; L299-H338 HydrophobicContact CG-CB 3.88Å
300P68.1Low85.8Confident93 Ų9355.5 Ų55.560%0.60425%0.252SS*.THydrogen-bonded Turncis-83.11.77.133.1-36.3000115.5R302P300-R302 PolarHBondContact O-N 3.03Å; P300-R302 VanDerWaalsContact O-N 3.12Å
301E65.7Low86Confident64 Ų6457.9 Ų57.930%0.29926%0.263SS..  trans-90.272-170.8-165.9-174152.100113L298 K303 K304 R335L298-E301 PolarHBondContact O-N 2.81Å; E301-K303 HydrophobicContact CG-CB 4.48Å; E301-K303 PolarHBondContact O-N 2.79Å; E301-K304 WeakPolarHBondContact OE1-CE 3.35Å; E301-K304 IonicContact OE1-NZ 3.63Å; E301-K304 PolarHBondContact OE1-NZ 2.89Å; E301-K304 IonicContact OE2-NZ 3.17Å; E301-R335 IonicContact OE2-NH1 3.74Å; E301-R335 PolarHBondContact OE2-NH1 3.21Å; E301-R335 IonicContact OE2-NH2 2.65Å
302R64.1Low86Confident76 Ų7665.3 Ų65.329%0.28729%0.29SS..THydrogen-bonded Turntrans-64.3-4.1179.5-60.4-161.7-162-108.415.7115.9Y297 L299 P300 H338 D386Y297-R302 HydrophobicContact CD1-CB 4.29Å; Y297-R302 HydrophobicContact CD1-CG 4.5Å; L299-R302 HydrophobicContact CD2-CG 3.59Å; P300-R302 PolarHBondContact O-N 3.03Å; P300-R302 VanDerWaalsContact O-N 3.12Å; R302-H338 PolarHBondContact NH1-ND1 2.89Å; R302-H338 VanDerWaalsContact NH1-ND1 3.11Å; R302-D386 WeakPolarHBondContact CD-OD2 3.43Å; R302-D386 IonicContact CZ-OD2 3.01Å; R302-D386 IonicContact NE-OD2 2.92Å; R302-D386 PolarHBondContact NE-OD2 2.95Å; R302-D386 IonicContact NH2-OD2 2.87Å; R302-D386 PolarHBondContact NH2-OD2 3.48Å
303K56.5Low85.8Confident190 Ų19071.5 Ų71.583%0.82632%0.317SS*.THydrogen-bonded Turntrans-64.8-40178.7-67.5-176.7179.9178.60112.5E301E301-K303 HydrophobicContact CG-CB 4.48Å; E301-K303 PolarHBondContact O-N 2.79Å
304K72.1Confident85.7Confident86 Ų8673.3 Ų73.337%0.37433%0.328SS..SBendtrans-91.8105.5174.4-66.5172.9-172.4132.30107.5E301E301-K304 WeakPolarHBondContact OE1-CE 3.35Å; E301-K304 IonicContact OE1-NZ 3.63Å; E301-K304 PolarHBondContact OE1-NZ 2.89Å; E301-K304 IonicContact OE2-NZ 3.17Å
305K81.8Confident85.6Confident144 Ų14475.6 Ų75.663%0.62634%0.34SS*.EExtended strand (participates in β ladder)trans-117.3136.1173.868.4-173.1-179.3-176.20109.4I296 Y297I296-K305 WeakPolarHBondContact O-CA 3.44Å; Y297-K305 HydrophobicContact CD1-CB 3.71Å; Y297-K305 HydrophobicContact CE1-CB 3.55Å; Y297-K305 HydrophobicContact CE1-CD 4.14Å; Y297-K305 HydrophobicContact CE1-CG 4.48Å
306F91.3Very high85.8Confident68 Ų6877.3 Ų77.330%0.29835%0.351SS..EExtended strand (participates in β ladder)trans-106.4161.5167.6-68-71.4000110.2K295 I296 F323 R324 F325K295-F306 CarbonylContact C-O 3.47Å; K295-F306 WeakPolarHBondContact CA-O 3.4Å; I296-F306 HydrophobicContact CB-CB 4.35Å; I296-F306 HydrophobicContact CD1-CB 4.29Å; I296-F306 PolarHBondContact N-O 2.89Å; I296-F306 PolarHBondContact O-N 2.89Å; F306-F323 HydrophobicContact CB-CB 4.16Å; F306-F323 HydrophobicContact CB-CD1 3.5Å; F306-F323 VanDerWaalsContact CB-CD1 3.5Å; F306-F323 HydrophobicContact CB-CE1 4.01Å; F306-F323 HydrophobicContact CB-CG 3.84Å; F306-F323 HydrophobicContact CD1-CB 4.37Å; F306-F323 AromaticContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CG 4.42Å; F306-F323 HydrophobicContact CD2-CB 3.87Å; F306-F323 HydrophobicContact CD2-CD1 4.5Å; F306-F323 HydrophobicContact CD2-CG 4.47Å; F306-F323 HydrophobicContact CE2-CB 4.36Å; F306-F323 HydrophobicContact CG-CB 3.88Å; F306-F323 AromaticContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CG 4.01Å; F306-R324 VanDerWaalsContact CE2-O 3.22Å; F306-R324 WeakPolarHBondContact CE2-O 3.4Å; F306-R324 WeakPolarHBondContact CZ-O 3.29Å; F306-F325 HydrophobicContact CD2-CD1 4.21Å; F306-F325 HydrophobicContact CD2-CD2 4.38Å; F306-F325 AromaticContact CD2-CE1 3.71Å; F306-F325 HydrophobicContact CD2-CE1 3.71Å; F306-F325 AromaticContact CD2-CE2 3.9Å; F306-F325 HydrophobicContact CD2-CE2 3.9Å; F306-F325 AromaticContact CD2-CZ 3.55Å; F306-F325 HydrophobicContact CD2-CZ 3.55Å; F306-F325 AromaticContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD2 4.32Å; F306-F325 AromaticContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE2 4.29Å; F306-F325 HydrophobicContact CE2-CG 4.16Å; F306-F325 HydrophobicContact CE2-CZ 4.09Å
307Q93.1Very high85.9Confident101 Ų10177.4 Ų77.447%0.47235%0.351SS..EExtended strand (participates in β ladder)trans-145.4137.8179.7-163.5-170.9-74.800109.5Y293 V294 K295Y293-Q307 HydrophobicContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CE2-CD 3.44Å; Y293-Q307 HydrophobicContact CE2-CG 3.79Å; V294-Q307 CarbonylContact O-C 3.58Å; V294-Q307 VanDerWaalsContact O-CA 3.31Å; V294-Q307 WeakPolarHBondContact O-CA 3.5Å; K295-Q307 HydrophobicContact CG-CG 4.13Å
308T97.4Very high86.3Confident5 Ų580 Ų803%0.03137%0.371CS..PPolyproline II helixtrans-73.7169.5168.768.20000111.6I275 Y293 V294 F319 E321 F323I275-T308 HydrophobicContact CB-CG2 4.21Å; I275-T308 HydrophobicContact CG1-CG2 4.14Å; I275-T308 HydrophobicContact CG2-CG2 4.31Å; Y293-T308 WeakPolarHBondContact CA-OG1 3.42Å; V294-T308 HydrophobicContact CB-CG2 4.03Å; V294-T308 PolarHBondContact N-OG1 3.09Å; V294-T308 PolarHBondContact O-N 2.89Å; T308-F319 HydrophobicContact CG2-CB 4.34Å; T308-F319 HydrophobicContact CG2-CD1 3.98Å; T308-F319 HydrophobicContact CG2-CG 4.18Å; T308-E321 WeakPolarHBondContact CA-OE1 3.45Å; T308-E321 VanDerWaalsContact CB-OE1 3.28Å; T308-E321 WeakPolarHBondContact CB-OE1 3.26Å; T308-F323 HydrophobicContact CG2-CE2 4.1Å; T308-F323 HydrophobicContact CG2-CZ 4.1Å
309R96.2Very high86.7Confident176 Ų17680.3 Ų80.366%0.66437%0.372SS*.PPolyproline II helixtrans-60.8158.3159.9-64.2166.7-156.2-145.30110.6Y293 E321Y293-R309 WeakPolarHBondContact CB-O 3.22Å; R309-E321 WeakPolarHBondContact CD-OE2 3.22Å; R309-E321 WeakPolarHBondContact CG-OE2 3.19Å; R309-E321 IonicContact CZ-OE2 3.65Å; R309-E321 PolarHBondContact N-OE1 2.79Å; R309-E321 IonicContact NE-OE2 2.71Å; R309-E321 PolarHBondContact NE-OE2 3.48Å; R309-E321 IonicContact NH2-OE2 2.75Å
310V95.8Very high87.4Confident44 Ų4483.2 Ų83.227%0.26739%0.387SS..PPolyproline II helixtrans-85.7119.9170.8172.40000108.6D291 Y293 F344D291-V310 HydrophobicContact CB-CG1 3.89Å; D291-V310 WeakPolarHBondContact O-CG1 3.43Å; Y293-V310 HydrophobicContact CD1-CG2 4.08Å; Y293-V310 HydrophobicContact CG-CG2 4.15Å; V310-F344 HydrophobicContact CB-CB 4.36Å; V310-F344 HydrophobicContact CB-CG 4.4Å; V310-F344 HydrophobicContact CG1-CB 3.56Å; V310-F344 HydrophobicContact CG1-CD1 3.91Å; V310-F344 HydrophobicContact CG1-CG 3.79Å; V310-F344 HydrophobicContact CG2-CB 3.81Å; V310-F344 HydrophobicContact CG2-CD1 4.45Å; V310-F344 HydrophobicContact CG2-CD2 3.86Å; V310-F344 HydrophobicContact CG2-CG 3.75Å
311H95.3Very high88.8Confident49 Ų4980.2 Ų80.223%0.22737%0.365CS..  trans-99.3114.1176.8-75.2-104.9000109.1D291 P292 T314 P317 T318 F319D291-H311 CarbonylContact C-O 3.54Å; D291-H311 VanDerWaalsContact CA-O 3.3Å; D291-H311 WeakPolarHBondContact CA-O 3.46Å; P292-H311 WeakPolarHBondContact CD-O 3.48Å; P292-H311 PolarHBondContact O-N 2.88Å; H311-T314 HydrophobicContact CB-CG2 3.88Å; H311-P317 HydrophobicContact CB-CB 3.83Å; H311-T318 PolarHBondContact CE1-O 3.46Å; H311-T318 PolarHBondContact ND1-O 3Å; H311-F319 AromaticContact CD2-CD1 3.36Å; H311-F319 WeakPolarHBondContact CD2-CD1 2.97Å; H311-F319 AromaticContact CD2-CE1 3.63Å; H311-F319 AromaticContact NE2-CD1 3.58Å
312R93.5Very high90.3Very high172 Ų17280.3 Ų80.365%0.64937%0.371SS*.THydrogen-bonded Turntrans-76141.8-170.6-64.4-145.8159.698.77.4114.3D291 T314D291-R312 WeakPolarHBondContact OD1-CA 3.29Å; D291-R312 WeakPolarHBondContact OD1-CB 3.33Å; D291-R312 WeakPolarHBondContact OD2-CD 3.31Å; D291-R312 WeakPolarHBondContact OD2-CG 3.36Å; D291-R312 IonicContact OD2-NE 3.54Å; D291-R312 PolarHBondContact OD2-NE 2.7Å; R312-T314 PolarHBondContact O-N 3.32Å
313K92.1Very high91.8Very high130 Ų13077.8 Ų77.857%0.56536%0.362SS*.THydrogen-bonded Turntrans4850.6169-59.1-165.6172.5-162.80114T289 S290 D291T289-K313 HydrophobicContact CG2-CB 4.2Å; S290-K313 CarbonylContact O-C 3.54Å; S290-K313 WeakPolarHBondContact O-CA 3.27Å; S290-K313 PolarHBondContact O-N 3.47Å; S290-K313 VanDerWaalsContact O-N 3.1Å; D291-K313 PolarHBondContact OD1-N 3.04Å
314T95.1Very high93.6Very high38 Ų3875 Ų7523%0.23335%0.346CS..  trans-142.8136.1179.6-177.30000112.2S290 P292 H311 R312 N316 P317S290-T314 PolarHBondContact O-N 3.3Å; P292-T314 WeakPolarHBondContact CD-O 3.48Å; P292-T314 HydrophobicContact CG-CG2 4.19Å; P292-T314 VanDerWaalsContact CG-O 3.24Å; P292-T314 WeakPolarHBondContact CG-O 3.36Å; H311-T314 HydrophobicContact CB-CG2 3.88Å; R312-T314 PolarHBondContact O-N 3.32Å; T314-N316 PolarHBondContact OG1-N 2.93Å; T314-N316 PolarHBondContact OG1-O 2.78Å; T314-P317 HydrophobicContact CG2-CB 3.89Å
315L94.9Very high94.6Very high49 Ų4971.1 Ų71.126%0.25733%0.329SS..SBendtrans-93.1-1.7170.6-54.2-176.7000112.2D280 L281 A283D280-L315 PolarHBondContact N-O 3.11Å; L281-L315 HydrophobicContact CB-CB 4.43Å; L281-L315 WeakPolarHBondContact CB-O 3.2Å; L281-L315 WeakPolarHBondContact CG-O 3.39Å; L281-L315 PolarHBondContact N-O 3.34Å; L281-L315 WeakPolarHBondContact O-CB 3.22Å; A283-L315 HydrophobicContact CB-CD1 4.3Å; A283-L315 HydrophobicContact CB-CD2 4.17Å
316N96.2Very high95.1Very high70 Ų7068 Ų6837%0.37432%0.323SS..SBendtrans-134.760-177.4-66.5-84.4000110.4A278 L279 D280 T314A278-N316 CarbonylContact O-C 3.07Å; A278-N316 WeakPolarHBondContact O-CA 3.22Å; L279-N316 VanDerWaalsContact CA-OD1 3.23Å; L279-N316 WeakPolarHBondContact CA-OD1 3.31Å; L279-N316 HydrophobicContact CD2-CB 4.2Å; L279-N316 VanDerWaalsContact CD2-OD1 3.22Å; L279-N316 WeakPolarHBondContact CD2-OD1 3.36Å; D280-N316 PolarHBondContact N-OD1 3.21Å; D280-N316 VanDerWaalsContact N-OD1 3.1Å; T314-N316 PolarHBondContact OG1-N 2.93Å; T314-N316 PolarHBondContact OG1-O 2.78Å
317P96.8Very high95.1Very high1 Ų165.2 Ų65.21%0.00631%0.312CS..  trans-67137-177.229.7-37000111.7K277 A278 L281 P292 H311 T314 F319K277-P317 CarbonylContact C-O 3.4Å; K277-P317 WeakPolarHBondContact CA-O 3.37Å; K277-P317 WeakPolarHBondContact CB-O 3.28Å; A278-P317 HydrophobicContact CB-CG 3.94Å; A278-P317 PolarHBondContact N-O 2.94Å; L281-P317 HydrophobicContact CD1-CG 3.89Å; P292-P317 HydrophobicContact CB-CG 4.21Å; P292-P317 HydrophobicContact CG-CB 3.89Å; P292-P317 HydrophobicContact CG-CG 3.62Å; H311-P317 HydrophobicContact CB-CB 3.83Å; T314-P317 HydrophobicContact CG2-CB 3.89Å; P317-F319 HydrophobicContact CB-CD2 4.48Å; P317-F319 HydrophobicContact CB-CE1 3.93Å; P317-F319 HydrophobicContact CB-CE2 3.89Å; P317-F319 HydrophobicContact CB-CZ 3.58Å; P317-F319 HydrophobicContact CG-CE1 4.24Å; P317-F319 HydrophobicContact CG-CE2 3.58Å; P317-F319 HydrophobicContact CG-CZ 3.39Å
318T97.3Very high95Very high88 Ų8862.2 Ų62.254%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-109.3110.2166.5-60.10000108.1L276 K277 H311L276-T318 CarbonylContact O-C 3.42Å; K277-T318 HydrophobicContact CB-CG2 4.4Å; H311-T318 PolarHBondContact CE1-O 3.46Å; H311-T318 PolarHBondContact ND1-O 3Å
319F96.7Very high94.6Very high14 Ų1466 Ų666%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-86.8-52.3-173.4-57.6-79.1000111.1I275 L276 A278 V294 T308 H311 P317 E321I275-F319 HydrophobicContact CB-CB 4.43Å; I275-F319 HydrophobicContact CG2-CB 4.12Å; I275-F319 HydrophobicContact CG2-CD2 3.54Å; I275-F319 HydrophobicContact CG2-CE2 4.2Å; I275-F319 HydrophobicContact CG2-CG 4.02Å; L276-F319 PolarHBondContact O-N 2.82Å; A278-F319 HydrophobicContact CB-CE2 4.29Å; V294-F319 HydrophobicContact CG2-CE1 4.42Å; V294-F319 HydrophobicContact CG2-CE2 3.9Å; V294-F319 HydrophobicContact CG2-CZ 3.78Å; T308-F319 HydrophobicContact CG2-CB 4.34Å; T308-F319 HydrophobicContact CG2-CD1 3.98Å; T308-F319 HydrophobicContact CG2-CG 4.18Å; H311-F319 AromaticContact CD2-CD1 3.36Å; H311-F319 WeakPolarHBondContact CD2-CD1 2.97Å; H311-F319 AromaticContact CD2-CE1 3.63Å; H311-F319 AromaticContact NE2-CD1 3.58Å; P317-F319 HydrophobicContact CB-CD2 4.48Å; P317-F319 HydrophobicContact CB-CE1 3.93Å; P317-F319 HydrophobicContact CB-CE2 3.89Å; P317-F319 HydrophobicContact CB-CZ 3.58Å; P317-F319 HydrophobicContact CG-CE1 4.24Å; P317-F319 HydrophobicContact CG-CE2 3.58Å; P317-F319 HydrophobicContact CG-CZ 3.39Å; F319-E321 VanDerWaalsContact C-N 3.33Å; F319-E321 PolarHBondContact O-N 2.73Å
320D95.9Very high94.3Very high89 Ų8964 Ų6448%0.47632%0.322SS..EExtended strand (participates in β ladder)trans46.647.7-171.1-154.96.8000114.5R274 I275 L276R274-D320 IonicContact CZ-OD1 2.74Å; R274-D320 IonicContact NE-OD1 2.59Å; R274-D320 PolarHBondContact NE-OD1 2.84Å; R274-D320 IonicContact NH2-OD1 3.28Å; R274-D320 PolarHBondContact NH2-OD1 2.65Å; R274-D320 IonicContact NH2-OD2 2.7Å; R274-D320 PolarHBondContact NH2-OD2 2.73Å; I275-D320 VanDerWaalsContact O-CA 3.24Å; I275-D320 WeakPolarHBondContact O-CA 3.11Å; I275-D320 PolarHBondContact O-N 2.76Å; L276-D320 PolarHBondContact O-N 2.92Å; L276-D320 VanDerWaalsContact O-N 3.16Å
321E97.3Very high93.8Very high30 Ų3066.2 Ų66.214%0.1433%0.329CS..EExtended strand (participates in β ladder)trans-112.8134.9-179.1-68.1-167.4-75.700112.2R274 I275 T308 R309 F319 F323R274-E321 CarbonylContact C-O 3.57Å; R274-E321 WeakPolarHBondContact CA-O 3.46Å; I275-E321 PolarHBondContact N-O 3.23Å; I275-E321 PolarHBondContact O-N 2.87Å; T308-E321 WeakPolarHBondContact CA-OE1 3.45Å; T308-E321 VanDerWaalsContact CB-OE1 3.28Å; T308-E321 WeakPolarHBondContact CB-OE1 3.26Å; R309-E321 WeakPolarHBondContact CD-OE2 3.22Å; R309-E321 WeakPolarHBondContact CG-OE2 3.19Å; R309-E321 IonicContact CZ-OE2 3.65Å; R309-E321 PolarHBondContact N-OE1 2.79Å; R309-E321 IonicContact NE-OE2 2.71Å; R309-E321 PolarHBondContact NE-OE2 3.48Å; R309-E321 IonicContact NH2-OE2 2.75Å; F319-E321 VanDerWaalsContact C-N 3.33Å; F319-E321 PolarHBondContact O-N 2.73Å; E321-F323 HydrophobicContact CB-CE2 3.7Å; E321-F323 HydrophobicContact CB-CZ 3.64Å; E321-F323 WeakPolarHBondContact O-CE2 3.35Å
322T96.8Very high93.4Very high67 Ų6764 Ų6441%0.41132%0.318SS..EExtended strand (participates in β ladder)trans-112.7129.3-174.8-57.20000111.7V272 R274V272-T322 HydrophobicContact CG1-CG2 3.47Å; V272-T322 VanDerWaalsContact CG1-CG2 3.47Å; R274-T322 HydrophobicContact CB-CG2 4.33Å; R274-T322 WeakPolarHBondContact CG-OG1 3.36Å
323F95.8Very high92.9Very high23 Ų2359.4 Ų59.410%0.10131%0.312CS..EExtended strand (participates in β ladder)trans-123155.8-176.6-53.1-80.1000110.5V272 V273 I275 I296 F306 T308 E321V272-F323 WeakPolarHBondContact CA-O 3.32Å; V273-F323 PolarHBondContact N-O 3.25Å; V273-F323 PolarHBondContact O-N 3.43Å; I275-F323 HydrophobicContact CG1-CD2 4.28Å; I275-F323 HydrophobicContact CG1-CE2 3.96Å; I296-F323 HydrophobicContact CD1-CB 4.46Å; I296-F323 HydrophobicContact CD1-CD2 3.28Å; I296-F323 HydrophobicContact CD1-CE2 3.58Å; I296-F323 HydrophobicContact CD1-CG 3.91Å; I296-F323 HydrophobicContact CD1-CZ 4.41Å; F306-F323 HydrophobicContact CB-CB 4.16Å; F306-F323 HydrophobicContact CB-CD1 3.5Å; F306-F323 VanDerWaalsContact CB-CD1 3.5Å; F306-F323 HydrophobicContact CB-CE1 4.01Å; F306-F323 HydrophobicContact CB-CG 3.84Å; F306-F323 HydrophobicContact CD1-CB 4.37Å; F306-F323 AromaticContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CG 4.42Å; F306-F323 HydrophobicContact CD2-CB 3.87Å; F306-F323 HydrophobicContact CD2-CD1 4.5Å; F306-F323 HydrophobicContact CD2-CG 4.47Å; F306-F323 HydrophobicContact CE2-CB 4.36Å; F306-F323 HydrophobicContact CG-CB 3.88Å; F306-F323 AromaticContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CG 4.01Å; T308-F323 HydrophobicContact CG2-CE2 4.1Å; T308-F323 HydrophobicContact CG2-CZ 4.1Å; E321-F323 HydrophobicContact CB-CE2 3.7Å; E321-F323 HydrophobicContact CB-CZ 3.64Å; E321-F323 WeakPolarHBondContact O-CE2 3.35Å
324R94.9Very high92.4Very high132 Ų13259.5 Ų59.550%0.49832%0.319SS..EExtended strand (participates in β ladder)trans-130.9119.2-177.7-71.2-176.8170.777.1-2.8110.8A270 V272 F306A270-R324 HydrophobicContact CB-CB 4.5Å; V272-R324 HydrophobicContact CG2-CG 4.33Å; F306-R324 VanDerWaalsContact CE2-O 3.22Å; F306-R324 WeakPolarHBondContact CE2-O 3.4Å; F306-R324 WeakPolarHBondContact CZ-O 3.29Å
325F93Very high91.9Very high4 Ų459.4 Ų59.42%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-100110.1171.2-67.5-88.1000109.3A270 L271 V273 I296 L298 F306 V327 L337A270-F325 CarbonylContact C-O 3.54Å; A270-F325 VanDerWaalsContact CA-O 3.27Å; A270-F325 WeakPolarHBondContact CA-O 3.04Å; L271-F325 HydrophobicContact CB-CB 4.45Å; L271-F325 PolarHBondContact N-O 2.83Å; L271-F325 PolarHBondContact O-N 2.76Å; V273-F325 HydrophobicContact CB-CE2 4.45Å; V273-F325 HydrophobicContact CG2-CD2 3.91Å; V273-F325 HydrophobicContact CG2-CE2 4.01Å; I296-F325 HydrophobicContact CB-CZ 4.14Å; I296-F325 HydrophobicContact CG2-CE2 3.82Å; I296-F325 HydrophobicContact CG2-CZ 3.74Å; L298-F325 HydrophobicContact CB-CD1 3.56Å; L298-F325 HydrophobicContact CB-CE1 3.75Å; L298-F325 HydrophobicContact CB-CG 3.98Å; L298-F325 HydrophobicContact CB-CZ 4.31Å; L298-F325 HydrophobicContact CD2-CB 3.79Å; L298-F325 HydrophobicContact CD2-CD1 4.35Å; L298-F325 HydrophobicContact CD2-CG 4.16Å; F306-F325 HydrophobicContact CD2-CD1 4.21Å; F306-F325 HydrophobicContact CD2-CD2 4.38Å; F306-F325 AromaticContact CD2-CE1 3.71Å; F306-F325 HydrophobicContact CD2-CE1 3.71Å; F306-F325 AromaticContact CD2-CE2 3.9Å; F306-F325 HydrophobicContact CD2-CE2 3.9Å; F306-F325 AromaticContact CD2-CZ 3.55Å; F306-F325 HydrophobicContact CD2-CZ 3.55Å; F306-F325 AromaticContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD2 4.32Å; F306-F325 AromaticContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE2 4.29Å; F306-F325 HydrophobicContact CE2-CG 4.16Å; F306-F325 HydrophobicContact CE2-CZ 4.09Å; F325-V327 PolarHBondContact O-N 2.73Å; F325-L337 HydrophobicContact CE2-CD1 3.95Å; F325-L337 HydrophobicContact CZ-CD1 4.38Å
326P91.9Very high91.6Very high77 Ų7761.2 Ų61.250%0.532%0.32SS..EExtended strand (participates in β ladder)trans-68.4117.5173.627.6-33000109.5
327V90.4Very high91.4Very high11 Ų1157.9 Ų57.97%0.06730%0.302CS..  trans-162.8133.6-174.663.50000108.8Y264 Q269 L271 L298 F325 E331 L332 R335Y264-V327 WeakPolarHBondContact CE2-O 3.38Å; Y264-V327 PolarHBondContact OH-O 2.97Å; Q269-V327 CarbonylContact C-O 3.57Å; Q269-V327 CarbonylContact O-C 3.54Å; Q269-V327 PolarHBondContact O-N 2.66Å; L271-V327 HydrophobicContact CB-CG1 4.02Å; L298-V327 HydrophobicContact CD2-CB 4.07Å; L298-V327 HydrophobicContact CD2-CG1 3.9Å; L298-V327 HydrophobicContact CD2-CG2 4.26Å; F325-V327 PolarHBondContact O-N 2.73Å; V327-E331 HydrophobicContact CG2-CB 3.99Å; V327-L332 HydrophobicContact CG1-CD2 3.55Å; V327-L332 HydrophobicContact CG1-CG 4.32Å; V327-L332 HydrophobicContact CG2-CD2 4.36Å; V327-R335 HydrophobicContact CG2-CG 4.4Å
328A91.5Very high91.2Very high38 Ų3858.1 Ų58.131%0.31430%0.303SS..  trans-67.6143.1177.400000111.4D330 E331A328-D330 VanDerWaalsContact C-N 3.29Å; A328-D330 PolarHBondContact O-N 2.68Å; A328-E331 HydrophobicContact CB-CG 4.43Å; A328-E331 WeakPolarHBondContact O-CB 3.43Å; A328-E331 PolarHBondContact O-N 3.2Å
329Y90.1Very high91Very high84 Ų8453.9 Ų53.933%0.32928%0.277SS..G310 helixtrans-51.2-46.4-176.7-174-97.6000112.8Y264 Y266 E331 L332 F362Y264-Y329 AromaticContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CE2 4.37Å; Y264-Y329 HydrophobicContact CD2-CD2 4.36Å; Y264-Y329 AromaticContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CG 4.33Å; Y264-Y329 AromaticContact CG-CD2 3.92Å; Y264-Y329 HydrophobicContact CG-CD2 3.92Å; Y264-Y329 PolarHBondContact OH-N 3.28Å; Y266-Y329 AromaticContact CE1-CD2 3.72Å; Y266-Y329 HydrophobicContact CE1-CD2 3.72Å; Y266-Y329 AromaticContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CG 4.31Å; Y266-Y329 AromaticContact CZ-CE2 3.82Å; Y266-Y329 VanDerWaalsContact OH-CE2 3.22Å; Y266-Y329 WeakPolarHBondContact OH-CE2 3.42Å; Y329-E331 PolarHBondContact O-N 3.01Å; Y329-L332 HydrophobicContact CD2-CD1 4.3Å; Y329-L332 WeakPolarHBondContact O-CB 3.44Å; Y329-L332 PolarHBondContact O-N 3.5Å; Y329-L332 VanDerWaalsContact O-N 3.14Å; Y329-F362 HydrophobicContact CD2-CE1 4.39Å; Y329-F362 HydrophobicContact CE1-CE1 4.05Å; Y329-F362 HydrophobicContact CE1-CZ 4.22Å; Y329-F362 AromaticContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CZ 4.33Å; Y329-F362 AromaticContact CZ-CE1 3.48Å; Y329-F362 VanDerWaalsContact CZ-CE1 3.48Å; Y329-F362 WeakPolarHBondContact OH-CE1 3.22Å
330D88.3Confident90.8Very high135 Ų13553.4 Ų53.472%0.72228%0.276SS*.G310 helixtrans-65.5-24-178.7-57.7-35000113.4A328 C333A328-D330 VanDerWaalsContact C-N 3.29Å; A328-D330 PolarHBondContact O-N 2.68Å; D330-C333 PolarHBondContact O-SG 2.91Å
331E86.4Confident90.7Very high90 Ų9049.2 Ų49.242%0.42125%0.253SS..G310 helixtrans-75.9-24.7176.4-69.2-168.1-163.200112.8V327 A328 Y329 C333 N334 R335V327-E331 HydrophobicContact CG2-CB 3.99Å; A328-E331 HydrophobicContact CB-CG 4.43Å; A328-E331 WeakPolarHBondContact O-CB 3.43Å; A328-E331 PolarHBondContact O-N 3.2Å; Y329-E331 PolarHBondContact O-N 3.01Å; E331-C333 PolarHBondContact O-N 2.98Å; E331-C333 VanDerWaalsContact O-N 3.09Å; E331-N334 PolarHBondContact O-N 3.39Å; E331-R335 IonicContact OE2-CZ 2.9Å; E331-R335 IonicContact OE2-NE 3.88Å; E331-R335 IonicContact OE2-NH2 2.82Å; E331-R335 PolarHBondContact OE2-NH2 2.88Å
332L86.5Confident90.5Very high1 Ų149.3 Ų49.31%0.00525%0.253CS..G310 helixtrans-57.3-29.4-172.9-71173.3000113.3Y264 L271 V327 Y329 N334 R335 L361 F362 L367Y264-L332 HydrophobicContact CD2-CD1 3.66Å; Y264-L332 HydrophobicContact CE2-CD1 3.93Å; Y264-L332 HydrophobicContact CG-CD1 4.45Å; L271-L332 HydrophobicContact CB-CD2 4.24Å; L271-L332 HydrophobicContact CD2-CD2 4.19Å; V327-L332 HydrophobicContact CG1-CD2 3.55Å; V327-L332 HydrophobicContact CG1-CG 4.32Å; V327-L332 HydrophobicContact CG2-CD2 4.36Å; Y329-L332 HydrophobicContact CD2-CD1 4.3Å; Y329-L332 WeakPolarHBondContact O-CB 3.44Å; Y329-L332 PolarHBondContact O-N 3.5Å; Y329-L332 VanDerWaalsContact O-N 3.14Å; L332-N334 PolarHBondContact O-N 3Å; L332-R335 PolarHBondContact O-N 2.81Å; L332-R335 VanDerWaalsContact O-N 3.08Å; L332-L361 HydrophobicContact CD2-CD1 4.16Å; L332-F362 HydrophobicContact CB-CE2 3.91Å; L332-F362 HydrophobicContact CB-CZ 3.72Å; L332-F362 HydrophobicContact CD1-CE1 4.44Å; L332-F362 HydrophobicContact CD1-CZ 4.16Å; L332-L367 HydrophobicContact CD1-CD1 3.92Å
333C83.6Confident90.1Very high77 Ų7746.2 Ų46.252%0.5223%0.234SC..G310 helixtrans-63.4-20.8177.765.80000113.3D330 E331 F362D330-C333 PolarHBondContact O-SG 2.91Å; E331-C333 PolarHBondContact O-N 2.98Å; E331-C333 VanDerWaalsContact O-N 3.09Å; C333-F362 HydrophobicContact CB-CE2 4.01Å
334N81.6Confident89.7Confident132 Ų13247.8 Ų47.871%0.70624%0.24SC*.G310 helixtrans-106.37.5177.2-64.6-71.5000113E331 L332E331-N334 PolarHBondContact O-N 3.39Å; L332-N334 PolarHBondContact O-N 3Å
335R83.9Confident88.9Confident35 Ų3543.4 Ų43.413%0.13223%0.227CC..  trans-102.9152.9177.7-57.5-61.2-173.6136.2-4.3110.7L298 L299 E301 V327 E331 L332L298-R335 HydrophobicContact CD1-CB 3.8Å; L298-R335 HydrophobicContact CD1-CG 4.41Å; L298-R335 HydrophobicContact CD2-CG 4.43Å; L298-R335 HydrophobicContact CG-CB 4.15Å; L298-R335 HydrophobicContact CG-CG 4.31Å; L299-R335 VanDerWaalsContact O-CA 3.25Å; L299-R335 WeakPolarHBondContact O-CA 3.42Å; L299-R335 WeakPolarHBondContact O-CB 3.35Å; L299-R335 VanDerWaalsContact O-CD 3.3Å; L299-R335 WeakPolarHBondContact O-CD 3.39Å; E301-R335 IonicContact OE2-NH1 3.74Å; E301-R335 PolarHBondContact OE2-NH1 3.21Å; E301-R335 IonicContact OE2-NH2 2.65Å; V327-R335 HydrophobicContact CG2-CG 4.4Å; E331-R335 IonicContact OE2-CZ 2.9Å; E331-R335 IonicContact OE2-NE 3.88Å; E331-R335 IonicContact OE2-NH2 2.82Å; E331-R335 PolarHBondContact OE2-NH2 2.88Å; L332-R335 PolarHBondContact O-N 2.81Å; L332-R335 VanDerWaalsContact O-N 3.08Å
336K88.8Confident88Confident87 Ų8752.7 Ų52.738%0.37826%0.262SS..EExtended strand (participates in β ladder)trans-123.4137.1166.3-56.8-163.7178.9-154.70109.4L298 L299 V357 V358 D359L298-K336 CarbonylContact C-O 3.59Å; L299-K336 HydrophobicContact CB-CB 4.26Å; L299-K336 WeakPolarHBondContact CB-O 3.42Å; L299-K336 PolarHBondContact N-O 2.77Å; L299-K336 PolarHBondContact O-N 2.63Å; L299-K336 VanDerWaalsContact O-N 3.12Å; K336-V357 HydrophobicContact CD-CG1 4.11Å; K336-V358 CarbonylContact C-O 3.45Å; K336-V358 WeakPolarHBondContact CA-O 3.39Å; K336-D359 HydrophobicContact CD-CB 3.8Å; K336-D359 HydrophobicContact CG-CB 3.98Å; K336-D359 IonicContact NZ-OD2 2.73Å; K336-D359 PolarHBondContact NZ-OD2 2.87Å
337L92.1Very high86.3Confident0 Ų057.3 Ų57.30%028%0.275CS..EExtended strand (participates in β ladder)trans-92125.3174.3-173.263.4000108.6L262 V273 I296 L298 F325 F339 V358 L361L262-L337 HydrophobicContact CD2-CD2 3.55Å; V273-L337 HydrophobicContact CG1-CD2 3.94Å; V273-L337 HydrophobicContact CG2-CD1 4.17Å; V273-L337 HydrophobicContact CG2-CD2 3.84Å; I296-L337 HydrophobicContact CG2-CD1 3.74Å; L298-L337 HydrophobicContact CD1-CD1 4.36Å; F325-L337 HydrophobicContact CE2-CD1 3.95Å; F325-L337 HydrophobicContact CZ-CD1 4.38Å; L337-F339 HydrophobicContact CD2-CE1 4.04Å; L337-F339 HydrophobicContact CD2-CE2 4Å; L337-F339 HydrophobicContact CD2-CZ 3.38Å; L337-F339 HydrophobicContact CG-CE1 4.12Å; L337-F339 HydrophobicContact CG-CE2 4.06Å; L337-F339 HydrophobicContact CG-CZ 3.71Å; L337-V358 HydrophobicContact CB-CB 4.3Å; L337-V358 PolarHBondContact N-O 2.98Å; L337-V358 PolarHBondContact O-N 3.37Å; L337-L361 HydrophobicContact CB-CD2 3.92Å
338H91.9Very high84.9Confident6 Ų661.1 Ų61.13%0.02830%0.298CS..EExtended strand (participates in β ladder)trans-121.1120.5-174.5176.6-144.5000109.6I296 Y297 L299 R302 S340 E355I296-H338 WeakPolarHBondContact CA-O 3.35Å; Y297-H338 AromaticContact CD2-ND1 3.78Å; Y297-H338 PolarHBondContact N-O 2.88Å; Y297-H338 PolarHBondContact O-N 2.91Å; L299-H338 HydrophobicContact CD1-CB 3.82Å; L299-H338 HydrophobicContact CD2-CB 4.24Å; L299-H338 HydrophobicContact CG-CB 3.88Å; R302-H338 PolarHBondContact NH1-ND1 2.89Å; R302-H338 VanDerWaalsContact NH1-ND1 3.11Å; H338-S340 PolarHBondContact CE1-OG 3.08Å; H338-S340 VanDerWaalsContact CE1-OG 3.32Å; H338-S340 PolarHBondContact NE2-OG 2.8Å; H338-E355 IonicContact CD2-OE2 3.71Å; H338-E355 IonicContact CE1-OE2 2.66Å; H338-E355 IonicContact NE2-OE2 3.43Å; H338-E355 PolarHBondContact NE2-OE2 2.89Å
339F94.3Very high83.5Confident0 Ų064.1 Ų64.10%032%0.317CS..EExtended strand (participates in β ladder)trans-106.8129.4174-50.4-79.2000109L258 F260 V273 I275 V294 K295 I296 L337 E355 V356 V358L258-F339 HydrophobicContact CD2-CB 3.72Å; L258-F339 HydrophobicContact CD2-CD1 4.19Å; L258-F339 HydrophobicContact CD2-CD2 4.02Å; L258-F339 HydrophobicContact CD2-CG 3.72Å; F260-F339 HydrophobicContact CB-CZ 4.44Å; F260-F339 AromaticContact CD1-CE2 3.86Å; F260-F339 HydrophobicContact CD1-CE2 3.86Å; F260-F339 AromaticContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD2-CE2 4.21Å; F260-F339 AromaticContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CE1-CD2 4.37Å; F260-F339 AromaticContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CZ 4.15Å; F260-F339 HydrophobicContact CE2-CE2 4Å; F260-F339 HydrophobicContact CE2-CZ 4.01Å; F260-F339 HydrophobicContact CG-CE2 4.15Å; F260-F339 AromaticContact CG-CZ 3.81Å; F260-F339 HydrophobicContact CG-CZ 3.81Å; F260-F339 AromaticContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CZ 4.17Å; V273-F339 HydrophobicContact CG1-CE1 3.82Å; V273-F339 HydrophobicContact CG1-CZ 4.11Å; I275-F339 HydrophobicContact CD1-CD1 3.76Å; I275-F339 HydrophobicContact CD1-CE1 3.42Å; I275-F339 VanDerWaalsContact CD1-CE1 3.42Å; I275-F339 HydrophobicContact CD1-CZ 4.34Å; V294-F339 HydrophobicContact CG1-CB 4.03Å; V294-F339 HydrophobicContact CG1-CD1 4.34Å; K295-F339 WeakPolarHBondContact O-CA 3.5Å; I296-F339 HydrophobicContact CB-CD1 4.44Å; I296-F339 HydrophobicContact CG1-CD1 4.17Å; I296-F339 HydrophobicContact CG2-CD1 3.78Å; I296-F339 HydrophobicContact CG2-CE1 3.75Å; L337-F339 HydrophobicContact CD2-CE1 4.04Å; L337-F339 HydrophobicContact CD2-CE2 4Å; L337-F339 HydrophobicContact CD2-CZ 3.38Å; L337-F339 HydrophobicContact CG-CE1 4.12Å; L337-F339 HydrophobicContact CG-CE2 4.06Å; L337-F339 HydrophobicContact CG-CZ 3.71Å; F339-E355 CarbonylContact O-C 3.57Å; F339-E355 VanDerWaalsContact O-CA 3.26Å; F339-E355 WeakPolarHBondContact O-CA 3.47Å; F339-E355 WeakPolarHBondContact O-CB 3.5Å; F339-V356 HydrophobicContact CB-CB 4.24Å; F339-V356 HydrophobicContact CD2-CB 3.96Å; F339-V356 HydrophobicContact CD2-CG1 4.05Å; F339-V356 PolarHBondContact N-O 2.94Å; F339-V356 PolarHBondContact O-N 3.19Å; F339-V358 HydrophobicContact CD2-CG2 4.21Å; F339-V358 HydrophobicContact CE2-CG2 3.81Å
340S92.3Very high83Confident4 Ų463.7 Ų63.73%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-119.5116.6174.3-49.90000108.5K295 H338 Y342K295-S340 PolarHBondContact N-O 3.41Å; K295-S340 PolarHBondContact O-N 2.86Å; H338-S340 PolarHBondContact CE1-OG 3.08Å; H338-S340 VanDerWaalsContact CE1-OG 3.32Å; H338-S340 PolarHBondContact NE2-OG 2.8Å; S340-Y342 VanDerWaalsContact CB-CE2 3.5Å; S340-Y342 WeakPolarHBondContact O-CD2 3.45Å
341V94.3Very high82.5Confident0 Ų060.4 Ų60.40%030%0.3CS..EExtended strand (participates in β ladder)trans-94.6129.4-177.9-170.80000108.6L281 V294 I353 G354 I377L281-V341 HydrophobicContact CD1-CG1 4.44Å; L281-V341 HydrophobicContact CD2-CG1 4.38Å; V294-V341 HydrophobicContact CG2-CG2 4.21Å; V341-I353 HydrophobicContact CB-CB 4.32Å; V341-I353 HydrophobicContact CG1-CB 4.13Å; V341-I353 HydrophobicContact CG1-CD1 4.27Å; V341-I353 HydrophobicContact CG1-CG2 4.24Å; V341-I353 PolarHBondContact O-N 2.89Å; V341-G354 PolarHBondContact N-O 2.7Å; V341-G354 PolarHBondContact O-N 2.96Å; V341-I377 HydrophobicContact CG2-CD1 4.12Å; V341-I377 HydrophobicContact CG2-CG1 4.45Å; V341-I377 HydrophobicContact CG2-CG2 4.4Å
342Y91.5Very high82.5Confident33 Ų3357.4 Ų57.413%0.12929%0.286CS..EExtended strand (participates in β ladder)trans-129.9151.5-176.8-72.8-88.8000110.5P292 Y293 K295 S340 D351 M352P292-Y342 CarbonylContact C-O 3.48Å; P292-Y342 VanDerWaalsContact CA-O 3.28Å; P292-Y342 WeakPolarHBondContact CA-O 3.35Å; Y293-Y342 HydrophobicContact CE1-CG 4.36Å; Y293-Y342 HydrophobicContact CE2-CD2 4.48Å; Y293-Y342 VanDerWaalsContact CZ-CB 3.44Å; Y293-Y342 AromaticContact CZ-CG 3.98Å; Y293-Y342 PolarHBondContact N-O 3.13Å; Y293-Y342 PolarHBondContact O-N 2.73Å; Y293-Y342 WeakPolarHBondContact OH-CB 3.41Å; K295-Y342 HydrophobicContact CD-CD2 3.89Å; K295-Y342 HydrophobicContact CD-CE2 3.54Å; K295-Y342 HydrophobicContact CG-CD2 4.13Å; K295-Y342 HydrophobicContact CG-CE2 4.14Å; K295-Y342 VanDerWaalsContact NZ-CD2 3.33Å; S340-Y342 VanDerWaalsContact CB-CE2 3.5Å; S340-Y342 WeakPolarHBondContact O-CD2 3.45Å; Y342-D351 CarbonylContact C-O 3.34Å; Y342-D351 VanDerWaalsContact CA-O 3.3Å; Y342-D351 WeakPolarHBondContact CA-O 3.19Å; Y342-M352 HydrophobicContact CD1-CB 3.95Å; Y342-M352 HydrophobicContact CD1-CG 4.18Å; Y342-M352 HydrophobicContact CE1-CB 3.7Å; Y342-M352 HydrophobicContact CE1-CG 3.8Å; Y342-M352 HydrophobicContact CE1-SD 4.04Å
343D89.4Confident82.6Confident2 Ų257.5 Ų57.51%0.01129%0.287CS..  trans-81.4154.6157.4-158.3-8.2000110.4K284 S290 D291 Y293 H350 D351 I353K284-D343 HydrophobicContact CB-CB 4.2Å; K284-D343 VanDerWaalsContact CB-OD2 3.23Å; K284-D343 WeakPolarHBondContact CB-OD2 3.34Å; S290-D343 WeakPolarHBondContact CA-OD2 3.24Å; S290-D343 VanDerWaalsContact CB-OD2 3.26Å; S290-D343 WeakPolarHBondContact CB-OD2 3.47Å; D291-D343 WeakPolarHBondContact CA-OD1 3.19Å; D291-D343 PolarHBondContact N-OD1 2.99Å; Y293-D343 WeakPolarHBondContact CE1-O 3.37Å; D343-H350 VanDerWaalsContact O-CB 3.29Å; D343-H350 WeakPolarHBondContact O-CB 3.47Å; D343-D351 HydrophobicContact CB-CB 4.23Å; D343-D351 PolarHBondContact N-O 3.01Å; D343-I353 HydrophobicContact CB-CD1 4.23Å; D343-I353 HydrophobicContact CB-CG1 4.47Å
344F86.7Confident83Confident55 Ų5553.9 Ų53.924%0.24126%0.262CS..  trans-106.5101.8177.9175.8-95.4000112.1D291 Y293 V310 H350D291-F344 HydrophobicContact CB-CB 3.98Å; D291-F344 VanDerWaalsContact O-CB 3.31Å; D291-F344 WeakPolarHBondContact O-CB 3.3Å; D291-F344 PolarHBondContact O-N 3.34Å; Y293-F344 HydrophobicContact CD1-CB 4.02Å; Y293-F344 HydrophobicContact CE1-CB 4.14Å; V310-F344 HydrophobicContact CB-CB 4.36Å; V310-F344 HydrophobicContact CB-CG 4.4Å; V310-F344 HydrophobicContact CG1-CB 3.56Å; V310-F344 HydrophobicContact CG1-CD1 3.91Å; V310-F344 HydrophobicContact CG1-CG 3.79Å; V310-F344 HydrophobicContact CG2-CB 3.81Å; V310-F344 HydrophobicContact CG2-CD1 4.45Å; V310-F344 HydrophobicContact CG2-CD2 3.86Å; V310-F344 HydrophobicContact CG2-CG 3.75Å; F344-H350 AromaticContact CD2-CE1 3.43Å; F344-H350 VanDerWaalsContact CD2-CE1 3.43Å; F344-H350 WeakPolarHBondContact CD2-CE1 3.42Å; F344-H350 AromaticContact CD2-NE2 3.52Å; F344-H350 AromaticContact CE2-CE1 3.56Å; F344-H350 AromaticContact CE2-NE2 3.42Å; F344-H350 WeakPolarHBondContact CE2-NE2 3.45Å
345D77.9Confident83.5Confident41 Ų4149.4 Ų49.422%0.21924%0.237CC..  trans-82.1133.2170.6-76-94.3000113T348 H350 D351D345-T348 VanDerWaalsContact CB-O 3.27Å; D345-T348 WeakPolarHBondContact CB-O 3.44Å; D345-T348 WeakPolarHBondContact CB-OG1 3.05Å; D345-T348 WeakPolarHBondContact OD1-CB 3.39Å; D345-T348 PolarHBondContact OD1-OG1 3.08Å; D345-H350 PolarHBondContact O-CD2 3.12Å; D345-H350 PolarHBondContact O-NE2 3.18Å; D345-D351 PolarHBondContact OD2-N 2.93Å
346R74.9Confident83.9Confident199 Ų19947.8 Ų47.875%0.75123%0.231SC*.SBendtrans-81.1-27.8174.2-177.4173.8177.2-166.9-1.7113.8
347F55.7Low84Confident174 Ų17446.6 Ų46.676%0.76323%0.231SC*.SBendtrans-129.72.6-168.4-58-66.7000113.6
348T62.1Low83.9Confident91 Ų9146.6 Ų46.656%0.55823%0.231SC*.SBendtrans-139.4169.8-169.213.70000108.9D345D345-T348 VanDerWaalsContact CB-O 3.27Å; D345-T348 WeakPolarHBondContact CB-O 3.44Å; D345-T348 WeakPolarHBondContact CB-OG1 3.05Å; D345-T348 WeakPolarHBondContact OD1-CB 3.39Å; D345-T348 PolarHBondContact OD1-OG1 3.08Å
349S61.6Low83.7Confident101 Ų10149.4 Ų49.471%0.70625%0.246SC*.  trans-67.6130.4170.648.40000110.3D351S349-D351 PolarHBondContact O-N 3Å; S349-D351 VanDerWaalsContact O-N 3.15Å
350H78.4Confident83Confident74 Ų7453.8 Ų53.834%0.34327%0.269SS..  trans-56113.2179.3-63.4-176.6000111.9Y293 D343 F344 D345Y293-H350 HydrophobicContact CE1-CB 4.48Å; Y293-H350 AromaticContact CE1-ND1 3.74Å; Y293-H350 AromaticContact CZ-ND1 3.54Å; Y293-H350 PolarHBondContact OH-ND1 3.11Å; D343-H350 VanDerWaalsContact O-CB 3.29Å; D343-H350 WeakPolarHBondContact O-CB 3.47Å; F344-H350 AromaticContact CD2-CE1 3.43Å; F344-H350 VanDerWaalsContact CD2-CE1 3.43Å; F344-H350 WeakPolarHBondContact CD2-CE1 3.42Å; F344-H350 AromaticContact CD2-NE2 3.52Å; F344-H350 AromaticContact CE2-CE1 3.56Å; F344-H350 AromaticContact CE2-NE2 3.42Å; F344-H350 WeakPolarHBondContact CE2-NE2 3.45Å; D345-H350 PolarHBondContact O-CD2 3.12Å; D345-H350 PolarHBondContact O-NE2 3.18Å
351D79.1Confident82.6Confident66 Ų6653.6 Ų53.635%0.35327%0.268SS..  trans-66.5135.6-174.8-131.940.6000112.5K284 Y342 D343 D345 S349K284-D351 WeakPolarHBondContact CD-OD2 3.27Å; K284-D351 WeakPolarHBondContact CE-OD2 3.12Å; K284-D351 IonicContact NZ-OD2 2.92Å; K284-D351 PolarHBondContact NZ-OD2 2.97Å; Y342-D351 CarbonylContact C-O 3.34Å; Y342-D351 VanDerWaalsContact CA-O 3.3Å; Y342-D351 WeakPolarHBondContact CA-O 3.19Å; D343-D351 HydrophobicContact CB-CB 4.23Å; D343-D351 PolarHBondContact N-O 3.01Å; D345-D351 PolarHBondContact OD2-N 2.93Å; S349-D351 PolarHBondContact O-N 3Å; S349-D351 VanDerWaalsContact O-N 3.15Å
352M85.1Confident82.1Confident27 Ų2757.3 Ų57.313%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-82126.9175.6-165162.3165.200110K284 Y342 E355 A380K284-M352 PolarHBondContact NZ-O 2.84Å; Y342-M352 HydrophobicContact CD1-CB 3.95Å; Y342-M352 HydrophobicContact CD1-CG 4.18Å; Y342-M352 HydrophobicContact CE1-CB 3.7Å; Y342-M352 HydrophobicContact CE1-CG 3.8Å; Y342-M352 HydrophobicContact CE1-SD 4.04Å; M352-E355 HydrophobicContact CE-CB 3.91Å; M352-E355 HydrophobicContact CE-CG 4.39Å; M352-A380 HydrophobicContact CB-CB 4.28Å; M352-A380 HydrophobicContact CE-CB 3.84Å; M352-A380 HydrophobicContact CG-CB 3.8Å; M352-A380 HydrophobicContact SD-CB 3.83Å
353I90.3Very high81.6Confident4 Ų463.3 Ų63.32%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-86.1-43.1175.8-70.6172.1000109.7C255 L281 P282 K284 P292 V341 D343C255-I353 HydrophobicContact CB-CG2 4.04Å; C255-I353 WeakPolarHBondContact CB-O 3.4Å; C255-I353 PolarHBondContact SG-O 3.38Å; L281-I353 HydrophobicContact CD1-CD1 4.47Å; L281-I353 HydrophobicContact CD2-CG2 4.24Å; P282-I353 HydrophobicContact CG-CG2 3.8Å; K284-I353 HydrophobicContact CG-CG1 4.15Å; P292-I353 HydrophobicContact CB-CD1 4.35Å; V341-I353 HydrophobicContact CB-CB 4.32Å; V341-I353 HydrophobicContact CG1-CB 4.13Å; V341-I353 HydrophobicContact CG1-CD1 4.27Å; V341-I353 HydrophobicContact CG1-CG2 4.24Å; V341-I353 PolarHBondContact O-N 2.89Å; D343-I353 HydrophobicContact CB-CD1 4.23Å; D343-I353 HydrophobicContact CB-CG1 4.47Å
354G91.3Very high81Confident0 Ų065.4 Ų65.40%032%0.324CS..EExtended strand (participates in β ladder)trans164.5-170.7179.600000112.9V341 H378V341-G354 PolarHBondContact N-O 2.7Å; V341-G354 PolarHBondContact O-N 2.96Å; G354-H378 CarbonylContact C-O 3.53Å; G354-H378 WeakPolarHBondContact CA-O 3.43Å
355E91.9Very high80.6Confident38 Ų3863.1 Ų63.118%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-139.5162-178.861.7171.5-159.400114.4H338 F339 M352 H378 S384H338-E355 IonicContact CD2-OE2 3.71Å; H338-E355 IonicContact CE1-OE2 2.66Å; H338-E355 IonicContact NE2-OE2 3.43Å; H338-E355 PolarHBondContact NE2-OE2 2.89Å; F339-E355 CarbonylContact O-C 3.57Å; F339-E355 VanDerWaalsContact O-CA 3.26Å; F339-E355 WeakPolarHBondContact O-CA 3.47Å; F339-E355 WeakPolarHBondContact O-CB 3.5Å; M352-E355 HydrophobicContact CE-CB 3.91Å; M352-E355 HydrophobicContact CE-CG 4.39Å; E355-H378 PolarHBondContact N-O 2.93Å; E355-H378 PolarHBondContact O-N 3.09Å; E355-S384 WeakPolarHBondContact OE2-CB 3.43Å
356V92.9Very high80.7Confident2 Ų265.4 Ų65.41%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-132.8115.4169.6179.50000107.6L258 F339 V358 K375 I377L258-V356 HydrophobicContact CB-CG2 4.21Å; L258-V356 HydrophobicContact CD2-CG2 4.33Å; F339-V356 HydrophobicContact CB-CB 4.24Å; F339-V356 HydrophobicContact CD2-CB 3.96Å; F339-V356 HydrophobicContact CD2-CG1 4.05Å; F339-V356 PolarHBondContact N-O 2.94Å; F339-V356 PolarHBondContact O-N 3.19Å; V356-V358 HydrophobicContact CG1-CG2 3.85Å; V356-K375 HydrophobicContact CG1-CB 3.5Å; V356-K375 HydrophobicContact CG1-CG 3.85Å; V356-K375 HydrophobicContact CG2-CB 4.33Å; V356-I377 HydrophobicContact CG2-CB 4.42Å; V356-I377 HydrophobicContact CG2-CG1 3.93Å
357V90.7Very high81.1Confident61 Ų6156.1 Ų56.137%0.3729%0.293SS..EExtended strand (participates in β ladder)trans-98.1133.5169.7-179.40000108.8K336K336-V357 HydrophobicContact CD-CG1 4.11Å
358V90Very high82.3Confident0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-127103.2-179.5-170.70000108.9F260 K336 L337 F339 V356 L361 L364F260-V358 HydrophobicContact CZ-CG2 3.98Å; K336-V358 CarbonylContact C-O 3.45Å; K336-V358 WeakPolarHBondContact CA-O 3.39Å; L337-V358 HydrophobicContact CB-CB 4.3Å; L337-V358 PolarHBondContact N-O 2.98Å; L337-V358 PolarHBondContact O-N 3.37Å; F339-V358 HydrophobicContact CD2-CG2 4.21Å; F339-V358 HydrophobicContact CE2-CG2 3.81Å; V356-V358 HydrophobicContact CG1-CG2 3.85Å; V358-L361 HydrophobicContact CB-CD2 4.37Å; V358-L361 HydrophobicContact CG1-CD2 3.81Å; V358-L364 HydrophobicContact CG1-CD1 3.58Å; V358-L364 HydrophobicContact CG1-CD2 3.68Å; V358-L364 HydrophobicContact CG1-CG 4.14Å
359D86.4Confident83.3Confident65 Ų6555.3 Ų55.335%0.34829%0.285SS..  trans-89179.4162.83424.7000111.9K336 L361K336-D359 HydrophobicContact CD-CB 3.8Å; K336-D359 HydrophobicContact CG-CB 3.98Å; K336-D359 IonicContact NZ-OD2 2.73Å; K336-D359 PolarHBondContact NZ-OD2 2.87Å; D359-L361 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 3.38Å
360N81.5Confident84.2Confident92 Ų9255.3 Ų55.349%0.49227%0.274SS..  trans45.253.1175.8-62.83.2000113.2F362 E363 L364N360-F362 PolarHBondContact O-N 2.97Å; N360-E363 HydrophobicContact CB-CB 3.92Å; N360-E363 WeakPolarHBondContact CB-OE2 3.4Å; N360-E363 PolarHBondContact ND2-OE2 3.28Å; N360-E363 WeakPolarHBondContact O-CB 3.27Å; N360-E363 PolarHBondContact O-N 3.05Å; N360-L364 PolarHBondContact O-N 3.14Å
361L83.8Confident84.4Confident1 Ų153.6 Ų53.61%0.00527%0.273CS..Hα-helixtrans-50.6-32.7-172.6-60.8174000113.7L262 L271 L332 L337 V358 D359 L364 S365 L367L262-L361 HydrophobicContact CD1-CD2 4.15Å; L271-L361 HydrophobicContact CD2-CD1 3.99Å; L332-L361 HydrophobicContact CD2-CD1 4.16Å; L337-L361 HydrophobicContact CB-CD2 3.92Å; V358-L361 HydrophobicContact CB-CD2 4.37Å; V358-L361 HydrophobicContact CG1-CD2 3.81Å; D359-L361 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 3.38Å; L361-L364 PolarHBondContact O-N 3.1Å; L361-S365 PolarHBondContact O-N 2.87Å; L361-S365 VanDerWaalsContact O-N 3.1Å; L361-L367 HydrophobicContact CB-CD1 4.39Å
362F83.3Confident85Confident78 Ų7854.6 Ų54.634%0.34228%0.281SS..Hα-helixtrans-71.8-29.2175.9-59-68000115.7Y329 L332 C333 N360 L364 L367Y329-F362 HydrophobicContact CD2-CE1 4.39Å; Y329-F362 HydrophobicContact CE1-CE1 4.05Å; Y329-F362 HydrophobicContact CE1-CZ 4.22Å; Y329-F362 AromaticContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CZ 4.33Å; Y329-F362 AromaticContact CZ-CE1 3.48Å; Y329-F362 VanDerWaalsContact CZ-CE1 3.48Å; Y329-F362 WeakPolarHBondContact OH-CE1 3.22Å; L332-F362 HydrophobicContact CB-CE2 3.91Å; L332-F362 HydrophobicContact CB-CZ 3.72Å; L332-F362 HydrophobicContact CD1-CE1 4.44Å; L332-F362 HydrophobicContact CD1-CZ 4.16Å; C333-F362 HydrophobicContact CB-CE2 4.01Å; N360-F362 PolarHBondContact O-N 2.97Å; F362-L364 VanDerWaalsContact C-N 3.33Å; F362-L367 HydrophobicContact CD1-CD1 3.81Å; F362-L367 HydrophobicContact CD1-CG 4.37Å; F362-L367 HydrophobicContact CE1-CD1 3.74Å
363E79.7Confident85.4Confident159 Ų15954.1 Ų54.174%0.74328%0.28SS*.Hα-helixtrans-77.3-28174.6-176.2176.9-171.200110.7N360N360-E363 HydrophobicContact CB-CB 3.92Å; N360-E363 WeakPolarHBondContact CB-OE2 3.4Å; N360-E363 PolarHBondContact ND2-OE2 3.28Å; N360-E363 WeakPolarHBondContact O-CB 3.27Å; N360-E363 PolarHBondContact O-N 3.05Å
364L76.9Confident85.6Confident45 Ų4559.1 Ų59.124%0.23630%0.298CS..Hα-helixtrans-97.4-22.4-166.1-150.5140.1000113.2V358 N360 L361 F362 V373V358-L364 HydrophobicContact CG1-CD1 3.58Å; V358-L364 HydrophobicContact CG1-CD2 3.68Å; V358-L364 HydrophobicContact CG1-CG 4.14Å; N360-L364 PolarHBondContact O-N 3.14Å; L361-L364 PolarHBondContact O-N 3.1Å; F362-L364 VanDerWaalsContact C-N 3.33Å; L364-V373 HydrophobicContact CD2-CG1 3.66Å; L364-V373 HydrophobicContact CD2-CG2 4.22Å
365S78.1Confident85.8Confident8 Ų862.6 Ų62.66%0.05631%0.314CS..SBendtrans-153.6139.3171.6-169.50000110.7L361 L367L361-S365 PolarHBondContact O-N 2.87Å; L361-S365 VanDerWaalsContact O-N 3.1Å; S365-L367 PolarHBondContact O-N 2.93Å
366D80.7Confident85.9Confident88 Ų8863.5 Ų63.547%0.47132%0.32SS..  trans-68.195.7165.2171.98.2000108.6S368 R369D366-S368 VanDerWaalsContact CG-OG 3.3Å; D366-S368 PolarHBondContact O-N 3.41Å; D366-S368 WeakPolarHBondContact OD1-CB 3.26Å; D366-S368 PolarHBondContact OD1-N 3.13Å; D366-S368 PolarHBondContact OD1-OG 3.2Å; D366-S368 PolarHBondContact OD2-OG 2.67Å; D366-R369 PolarHBondContact O-N 2.84Å
367L83.4Confident86Confident5 Ų563.4 Ų63.43%0.02632%0.319CS..THydrogen-bonded Turntrans-64.7-5.3-175.6-59.1-176.3000114L262 Y264 L271 L332 L361 F362 S365 R369L262-L367 HydrophobicContact CB-CD2 3.7Å; L262-L367 HydrophobicContact CD1-CD2 4.26Å; Y264-L367 PolarHBondContact N-O 3.42Å; L271-L367 HydrophobicContact CD1-CD1 4.41Å; L271-L367 HydrophobicContact CD1-CD2 4.26Å; L332-L367 HydrophobicContact CD1-CD1 3.92Å; L361-L367 HydrophobicContact CB-CD1 4.39Å; F362-L367 HydrophobicContact CD1-CD1 3.81Å; F362-L367 HydrophobicContact CD1-CG 4.37Å; F362-L367 HydrophobicContact CE1-CD1 3.74Å; S365-L367 PolarHBondContact O-N 2.93Å; L367-R369 VanDerWaalsContact C-N 3.32Å
368S81.1Confident86Confident69 Ų6964.5 Ų64.548%0.48332%0.32SS..THydrogen-bonded Turntrans-80.5-10.4170.976.10000113.7D366D366-S368 VanDerWaalsContact CG-OG 3.3Å; D366-S368 PolarHBondContact O-N 3.41Å; D366-S368 WeakPolarHBondContact OD1-CB 3.26Å; D366-S368 PolarHBondContact OD1-N 3.13Å; D366-S368 PolarHBondContact OD1-OG 3.2Å; D366-S368 PolarHBondContact OD2-OG 2.67Å
369R82.6Confident85.7Confident179 Ų17965.5 Ų65.568%0.67533%0.328SS*.SBendtrans-141.9139.9-176.2-57-177.468.5-177.9-0.3111.1D366 L367 A371D366-R369 PolarHBondContact O-N 2.84Å; L367-R369 VanDerWaalsContact C-N 3.32Å; R369-A371 PolarHBondContact O-N 3.44Å
370E81.3Confident84.6Confident100 Ų10064.2 Ų64.247%0.46733%0.327SS..  trans-66.3105175.4-169-173.8-177.200110.1S261 R274S261-E370 WeakPolarHBondContact CB-OE1 3.38Å; S261-E370 PolarHBondContact OG-OE1 3.06Å; R274-E370 WeakPolarHBondContact CD-OE1 3.37Å; R274-E370 IonicContact CZ-OE1 3.55Å; R274-E370 IonicContact NE-OE1 3.16Å; R274-E370 IonicContact NH1-OE1 2.67Å; R274-E370 PolarHBondContact NH1-OE1 2.94Å; R274-E370 IonicContact NH1-OE2 3.97Å
371A82.4Confident83.3Confident38 Ų3863.8 Ų63.831%0.31433%0.327SS..EExtended strand (participates in β ladder)trans-111.2137.517500000110.4S261 R369S261-A371 VanDerWaalsContact CA-O 3.27Å; S261-A371 WeakPolarHBondContact CA-O 3.45Å; S261-A371 WeakPolarHBondContact CB-O 3.48Å; R369-A371 PolarHBondContact O-N 3.44Å
372V91.6Very high81.7Confident88 Ų8866.7 Ų66.753%0.53335%0.345SS..EExtended strand (participates in β ladder)trans-86.2114.3179.1178.40000109.8S259 L276S259-V372 WeakPolarHBondContact OG-CG1 3.44Å; L276-V372 HydrophobicContact CD1-CB 4.34Å; L276-V372 HydrophobicContact CD1-CG1 3.75Å; L276-V372 HydrophobicContact CD1-CG2 3.83Å
373V93.2Very high79.9Confident17 Ų1771.2 Ų71.210%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-93.5148.1175.4-179.60000109.6S259 F260 L364 K375S259-V373 WeakPolarHBondContact CA-O 3.41Å; S259-V373 PolarHBondContact OG-O 3.31Å; F260-V373 HydrophobicContact CD2-CB 4.19Å; F260-V373 HydrophobicContact CE1-CB 4.29Å; F260-V373 HydrophobicContact CE1-CG1 3.95Å; F260-V373 HydrophobicContact CE2-CB 3.77Å; F260-V373 HydrophobicContact CE2-CG1 3.9Å; F260-V373 HydrophobicContact CE2-CG2 4.14Å; F260-V373 HydrophobicContact CZ-CB 3.83Å; F260-V373 HydrophobicContact CZ-CG1 3.46Å; F260-V373 VanDerWaalsContact CZ-CG1 3.46Å; F260-V373 PolarHBondContact N-O 3.04Å; F260-V373 PolarHBondContact O-N 2.98Å; L364-V373 HydrophobicContact CD2-CG1 3.66Å; L364-V373 HydrophobicContact CD2-CG2 4.22Å; V373-K375 HydrophobicContact CG1-CG 4.21Å
374W94.9Very high78.6Confident108 Ų10864.5 Ų64.541%0.40934%0.338SS..EExtended strand (participates in β ladder)trans-122.5137.3164.6-74.686.4000109.5K257 L258 K277 L279K257-W374 HydrophobicContact CB-CE3 4.01Å; K257-W374 HydrophobicContact CB-CZ3 4.2Å; L258-W374 WeakPolarHBondContact O-CA 3.43Å; K277-W374 HydrophobicContact CD-CH2 4.28Å; K277-W374 HydrophobicContact CG-CH2 4.16Å; L279-W374 HydrophobicContact CB-CZ3 4.44Å; L279-W374 HydrophobicContact CD1-CH2 3.41Å; L279-W374 VanDerWaalsContact CD1-CH2 3.41Å; L279-W374 HydrophobicContact CD1-CZ2 4.47Å; L279-W374 HydrophobicContact CD1-CZ3 3.63Å; L279-W374 HydrophobicContact CG-CH2 3.77Å; L279-W374 HydrophobicContact CG-CZ3 3.84Å
375K94.9Very high77.8Confident74 Ų7465 Ų6532%0.32234%0.34SS..EExtended strand (participates in β ladder)trans-136.5147.4172.6-76.8-69.1-173.51700110.3K257 L258 F260 V356 V373K257-K375 CarbonylContact C-O 3.59Å; K257-K375 WeakPolarHBondContact CA-O 3.47Å; L258-K375 PolarHBondContact N-O 3.15Å; L258-K375 PolarHBondContact O-N 2.87Å; F260-K375 HydrophobicContact CE1-CB 4.33Å; F260-K375 HydrophobicContact CE1-CG 4.11Å; F260-K375 HydrophobicContact CZ-CG 4.28Å; V356-K375 HydrophobicContact CG1-CB 3.5Å; V356-K375 HydrophobicContact CG1-CG 3.85Å; V356-K375 HydrophobicContact CG2-CB 4.33Å; V373-K375 HydrophobicContact CG1-CG 4.21Å
376D95.4Very high77.3Confident57 Ų5767 Ų6731%0.30535%0.35SS..EExtended strand (participates in β ladder)trans-75.8136.2173.6-64.9-15.4000109I254 K257I254-D376 HydrophobicContact CG2-CB 4.01Å; K257-D376 WeakPolarHBondContact CG-OD1 3.31Å; K257-D376 IonicContact NZ-OD1 3.62Å; K257-D376 PolarHBondContact NZ-OD1 2.9Å; K257-D376 IonicContact NZ-OD2 2.73Å
377I94.7Very high77.5Confident0 Ų062.9 Ų62.90%033%0.328CS..EExtended strand (participates in β ladder)trans-84.5114.8176.7-61.6165.1000106.4I254 C255 G256 L258 A278 L281 V341 V356I254-I377 CarbonylContact C-O 3.56Å; I254-I377 WeakPolarHBondContact CA-O 3.49Å; C255-I377 HydrophobicContact CB-CG2 4.19Å; C255-I377 PolarHBondContact N-O 2.74Å; G256-I377 PolarHBondContact O-N 2.73Å; L258-I377 HydrophobicContact CB-CD1 4.13Å; L258-I377 HydrophobicContact CB-CG1 3.95Å; A278-I377 HydrophobicContact CB-CD1 4.45Å; L281-I377 HydrophobicContact CD2-CD1 3.38Å; V341-I377 HydrophobicContact CG2-CD1 4.12Å; V341-I377 HydrophobicContact CG2-CG1 4.45Å; V341-I377 HydrophobicContact CG2-CG2 4.4Å; V356-I377 HydrophobicContact CG2-CB 4.42Å; V356-I377 HydrophobicContact CG2-CG1 3.93Å
378H90.6Very high77.8Confident84 Ų8462.7 Ų62.739%0.38933%0.327SS..EExtended strand (participates in β ladder)trans-81.9136.1176.3-64.7-67000109.4V252 G354 E355V252-H378 HydrophobicContact CG1-CB 3.73Å; V252-H378 WeakPolarHBondContact CG1-ND1 3.24Å; G354-H378 CarbonylContact C-O 3.53Å; G354-H378 WeakPolarHBondContact CA-O 3.43Å; E355-H378 PolarHBondContact N-O 2.93Å; E355-H378 PolarHBondContact O-N 3.09Å
379A82.6Confident78.2Confident21 Ų2161.5 Ų61.517%0.17431%0.314CS..  trans-53.7140.8173.500000110.1E253 C255 T381E253-A379 HydrophobicContact CB-CB 3.79Å; E253-A379 HydrophobicContact CG-CB 4.37Å; E253-A379 VanDerWaalsContact O-CB 3.32Å; E253-A379 WeakPolarHBondContact O-CB 3.36Å; E253-A379 PolarHBondContact O-N 3.28Å; C255-A379 VanDerWaalsContact SG-CB 3.58Å; A379-T381 PolarHBondContact O-N 2.95Å
380A63.2Low78.8Confident38 Ų3853 Ų5331%0.31428%0.282SS..  trans-6993.6-179.400000110.7M352M352-A380 HydrophobicContact CB-CB 4.28Å; M352-A380 HydrophobicContact CE-CB 3.84Å; M352-A380 HydrophobicContact CG-CB 3.8Å; M352-A380 HydrophobicContact SD-CB 3.83Å
381T54.4Low79.6Confident83 Ų8349.6 Ų49.651%0.50927%0.267SS..  trans-54.8141.7159.1-12.60000108A379 E383 S384A379-T381 PolarHBondContact O-N 2.95Å; T381-E383 PolarHBondContact O-N 3.04Å; T381-S384 WeakPolarHBondContact O-CB 3.44Å; T381-S384 PolarHBondContact O-N 2.95Å; T381-S384 PolarHBondContact O-OG 3.26Å
382T50.4Low80.3Confident61 Ų6147.8 Ų47.837%0.37425%0.252SS..THydrogen-bonded Turntrans-58.9-8.4-177.3-390000114E523T382-E523 HydrophobicContact CG2-CB 4.02Å; T382-E523 HydrophobicContact CG2-CG 4.16Å; T382-E523 WeakPolarHBondContact CG2-OE2 3.45Å
383E46.8Very low80.7Confident174 Ų17444 Ų4481%0.81323%0.229SC*.THydrogen-bonded Turntrans-78.6-12.7173.8-52.1-176.915700114T381T381-E383 PolarHBondContact O-N 3.04Å
384S51.3Low80.9Confident18 Ų1843.2 Ų43.213%0.12622%0.224CC..  trans-84.1-17.3-171.456.60000115.4E355 T381 D386E355-S384 WeakPolarHBondContact OE2-CB 3.43Å; T381-S384 WeakPolarHBondContact O-CB 3.44Å; T381-S384 PolarHBondContact O-N 2.95Å; T381-S384 PolarHBondContact O-OG 3.26Å; S384-D386 PolarHBondContact O-N 2.89Å
385I59.8Low81.1Confident54 Ų5439.3 Ų39.328%0.27721%0.213SC..SBendtrans-79.5111.5175.9-59.6175.8000108L387 E523I385-L387 HydrophobicContact CG2-CD2 3.62Å; I385-L387 HydrophobicContact CG2-CG 4.24Å; I385-L387 PolarHBondContact O-N 3.21Å; I385-E523 WeakPolarHBondContact CD1-OE1 3.44Å
386D68.5Low81.2Confident50 Ų5036.1 Ų36.127%0.26720%0.199SC..  trans-7391.2177.3-16914.9000111.3R302 S384 G388R302-D386 WeakPolarHBondContact CD-OD2 3.43Å; R302-D386 IonicContact CZ-OD2 3.01Å; R302-D386 IonicContact NE-OD2 2.92Å; R302-D386 PolarHBondContact NE-OD2 2.95Å; R302-D386 IonicContact NH2-OD2 2.87Å; R302-D386 PolarHBondContact NH2-OD2 3.48Å; S384-D386 PolarHBondContact O-N 2.89Å; D386-G388 VanDerWaalsContact OD1-CA 3.3Å; D386-G388 WeakPolarHBondContact OD1-CA 3.5Å; D386-G388 PolarHBondContact OD1-N 2.83Å
387L85.3Confident81.3Confident3 Ų336.3 Ų36.32%0.01620%0.2CC..  trans-77.9-6.3170.3-55.3178.4000112.1I385 L413 K414 I487 L521 G522 E523I385-L387 HydrophobicContact CG2-CD2 3.62Å; I385-L387 HydrophobicContact CG2-CG 4.24Å; I385-L387 PolarHBondContact O-N 3.21Å; L387-L413 WeakPolarHBondContact O-CA 3.43Å; L387-K414 HydrophobicContact CD2-CB 4.38Å; L387-K414 HydrophobicContact CD2-CD 3.58Å; L387-K414 PolarHBondContact O-N 2.81Å; L387-I487 WeakPolarHBondContact CB-O 3.48Å; L387-I487 WeakPolarHBondContact CD1-O 3.45Å; L387-I487 WeakPolarHBondContact CD2-O 3.47Å; L387-L521 HydrophobicContact CB-CB 3.86Å; L387-G522 WeakPolarHBondContact CD1-O 3.4Å; L387-E523 HydrophobicContact CD1-CG 3.88Å
388G88.1Confident81.3Confident0 Ų038.6 Ų38.60%021%0.214CC..  trans99.4-175.9-175.400000113.7D386 R411 N412 L521D386-G388 VanDerWaalsContact OD1-CA 3.3Å; D386-G388 WeakPolarHBondContact OD1-CA 3.5Å; D386-G388 PolarHBondContact OD1-N 2.83Å; G388-R411 WeakPolarHBondContact CA-O 3.32Å; G388-N412 WeakPolarHBondContact CA-O 3.12Å; G388-L521 WeakPolarHBondContact O-CB 3.18Å; G388-L521 WeakPolarHBondContact O-CG 3.28Å; G388-L521 PolarHBondContact O-N 3.19Å
389E89.3Confident81.5Confident44 Ų4441 Ų4121%0.20624%0.236CC..EExtended strand (participates in β ladder)trans-127.8144.1-178.5-63.3166.884.900111.4C410 R411 W518 H519E389-C410 CarbonylContact O-C 3.55Å; E389-C410 WeakPolarHBondContact O-CA 3.48Å; E389-C410 VanDerWaalsContact O-CB 3.3Å; E389-C410 WeakPolarHBondContact O-CB 3.41Å; E389-R411 HydrophobicContact CB-CG 4.19Å; E389-R411 PolarHBondContact N-O 2.77Å; E389-R411 PolarHBondContact O-N 3.15Å; E389-R411 IonicContact OE1-CZ 3.42Å; E389-R411 IonicContact OE1-NE 3.19Å; E389-R411 IonicContact OE1-NH2 2.67Å; E389-R411 PolarHBondContact OE1-NH2 3.16Å; E389-R411 IonicContact OE2-CZ 3.82Å; E389-R411 IonicContact OE2-NE 3.52Å; E389-R411 PolarHBondContact OE2-NE 3.01Å; E389-R411 IonicContact OE2-NH2 3.49Å; E389-R411 PolarHBondContact OE2-NH2 2.87Å; E389-W518 HydrophobicContact CB-CE3 3.78Å; E389-W518 HydrophobicContact CB-CZ3 4.16Å; E389-H519 CarbonylContact C-O 3.56Å; E389-H519 VanDerWaalsContact CA-O 3.32Å; E389-H519 WeakPolarHBondContact CA-O 3.34Å
390I96.6Very high82Confident0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-111.9133.4174.4-175169.5000110.9Y392 V407 V426 I473 V475 C490 H519 L521I390-Y392 HydrophobicContact CG1-CD1 4.31Å; I390-Y392 HydrophobicContact CG2-CD1 4.17Å; I390-Y392 HydrophobicContact CG2-CE1 4.32Å; I390-V407 HydrophobicContact CD1-CG1 4.32Å; I390-V426 HydrophobicContact CD1-CG1 3.98Å; I390-V426 HydrophobicContact CD1-CG2 3.83Å; I390-I473 HydrophobicContact CD1-CG2 3.92Å; I390-V475 HydrophobicContact CD1-CG2 4.13Å; I390-C490 VanDerWaalsContact CG2-SG 3.6Å; I390-H519 HydrophobicContact CG2-CB 4.18Å; I390-H519 PolarHBondContact N-O 3.28Å; I390-H519 PolarHBondContact O-N 2.79Å; I390-L521 HydrophobicContact CB-CD2 4.3Å; I390-L521 HydrophobicContact CG2-CD2 3.71Å; I390-L521 HydrophobicContact CG2-CG 4.46Å
391M97.3Very high83.6Confident30 Ų3041.3 Ų41.315%0.14824%0.239CC..EExtended strand (participates in β ladder)trans-104.1118.3170.6-157.1178.381.900109.1I408 K409 T516 H517 W518M391-I408 HydrophobicContact CE-CB 3.79Å; M391-I408 HydrophobicContact CE-CD1 3.69Å; M391-I408 HydrophobicContact CE-CG1 4.33Å; M391-I408 HydrophobicContact CE-CG2 3.48Å; M391-I408 VanDerWaalsContact CE-CG2 3.48Å; M391-I408 WeakPolarHBondContact O-CB 3.45Å; M391-I408 PolarHBondContact O-N 3.47Å; M391-K409 HydrophobicContact CB-CG 4.12Å; M391-K409 HydrophobicContact CE-CD 4.44Å; M391-K409 HydrophobicContact CE-CG 4.3Å; M391-K409 PolarHBondContact N-O 3.17Å; M391-K409 PolarHBondContact O-N 2.91Å; M391-T516 HydrophobicContact CE-CG2 4.36Å; M391-T516 HydrophobicContact CG-CG2 4.07Å; M391-T516 HydrophobicContact SD-CG2 4.46Å; M391-H517 WeakPolarHBondContact CA-O 3.28Å; M391-W518 HydrophobicContact CB-CD2 3.75Å; M391-W518 HydrophobicContact CB-CE3 3.65Å; M391-W518 HydrophobicContact CB-CG 4.45Å; M391-W518 HydrophobicContact CB-CH2 3.98Å; M391-W518 HydrophobicContact CB-CZ2 4.07Å; M391-W518 HydrophobicContact CB-CZ3 3.75Å; M391-W518 HydrophobicContact CG-CD2 3.89Å; M391-W518 HydrophobicContact CG-CE3 4.32Å; M391-W518 HydrophobicContact CG-CG 4.19Å; M391-W518 HydrophobicContact CG-CZ2 4.3Å; M391-W518 HydrophobicContact SD-CD2 4.19Å; M391-W518 VanDerWaalsContact SD-CE2 3.51Å; M391-W518 HydrophobicContact SD-CH2 4.47Å; M391-W518 HydrophobicContact SD-CZ2 3.71Å
392Y98.4Very high85.6Confident0 Ų042.7 Ų42.70%024%0.235CC..EExtended strand (participates in β ladder)trans-136158.4174.764.4-87.7000110.9I390 L394 L405 T406 I473 H503 H517 H519I390-Y392 HydrophobicContact CG1-CD1 4.31Å; I390-Y392 HydrophobicContact CG2-CD1 4.17Å; I390-Y392 HydrophobicContact CG2-CE1 4.32Å; Y392-L394 HydrophobicContact CD2-CD2 3.97Å; Y392-L394 HydrophobicContact CD2-CG 4.05Å; Y392-L394 HydrophobicContact CE2-CD1 4.11Å; Y392-L394 HydrophobicContact CE2-CD2 3.89Å; Y392-L394 HydrophobicContact CE2-CG 3.8Å; Y392-L405 HydrophobicContact CD2-CD1 4.04Å; Y392-L405 HydrophobicContact CD2-CG 4.1Å; Y392-L405 HydrophobicContact CE2-CD1 4.39Å; Y392-T406 CarbonylContact C-O 3.53Å; Y392-T406 WeakPolarHBondContact CA-O 3.16Å; Y392-T406 WeakPolarHBondContact CB-O 3.31Å; Y392-I473 HydrophobicContact CD1-CD1 4.27Å; Y392-I473 HydrophobicContact CD2-CD1 4.3Å; Y392-I473 HydrophobicContact CE1-CD1 3.78Å; Y392-I473 HydrophobicContact CE2-CD1 3.82Å; Y392-H503 AromaticContact CD2-CE1 3.72Å; Y392-H503 AromaticContact CE2-CE1 3.41Å; Y392-H503 VanDerWaalsContact CE2-CE1 3.41Å; Y392-H503 WeakPolarHBondContact CE2-CE1 3.39Å; Y392-H503 AromaticContact CE2-ND1 3.49Å; Y392-H503 WeakPolarHBondContact CE2-ND1 3.38Å; Y392-H503 AromaticContact CZ-ND1 3.73Å; Y392-H503 PolarHBondContact O-CE1 2.94Å; Y392-H517 PolarHBondContact N-O 3.45Å; Y392-H517 PolarHBondContact O-N 2.79Å; Y392-H519 HydrophobicContact CE1-CB 3.99Å; Y392-H519 AromaticContact CE1-CD2 3.24Å; Y392-H519 WeakPolarHBondContact CE1-CD2 3.37Å; Y392-H519 AromaticContact CE1-CG 3.56Å; Y392-H519 AromaticContact CZ-CD2 3.48Å; Y392-H519 VanDerWaalsContact CZ-CD2 3.48Å; Y392-H519 AromaticContact CZ-CG 3.91Å; Y392-H519 PolarHBondContact OH-CD2 2.91Å; Y392-H519 PolarHBondContact OH-ND1 3.28Å
393S98.4Very high87.8Confident8 Ų839.8 Ų39.86%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-111.4140.9174.5177.20000110.8L405 T406 P514 I515 T516S393-L405 CarbonylContact O-C 3.6Å; S393-L405 VanDerWaalsContact O-CA 3.29Å; S393-L405 WeakPolarHBondContact O-CA 3.42Å; S393-T406 PolarHBondContact N-O 3.04Å; S393-T406 PolarHBondContact O-N 2.59Å; S393-P514 WeakPolarHBondContact OG-CB 3.47Å; S393-I515 CarbonylContact C-O 3.48Å; S393-I515 WeakPolarHBondContact CA-O 3.16Å; S393-I515 WeakPolarHBondContact CB-O 3.4Å; S393-I515 PolarHBondContact OG-O 3.27Å; S393-T516 WeakPolarHBondContact CB-OG1 3.24Å; S393-T516 PolarHBondContact OG-OG1 3.23Å
394L98.2Very high90.2Very high0 Ų033.2 Ų33.20%019%0.189CC..EExtended strand (participates in β ladder)trans-112.1138.2169.8-62.1179.9000110.8Y392 L405 L471 A492 W504 M507 I515Y392-L394 HydrophobicContact CD2-CD2 3.97Å; Y392-L394 HydrophobicContact CD2-CG 4.05Å; Y392-L394 HydrophobicContact CE2-CD1 4.11Å; Y392-L394 HydrophobicContact CE2-CD2 3.89Å; Y392-L394 HydrophobicContact CE2-CG 3.8Å; L394-L405 HydrophobicContact CD2-CB 3.95Å; L394-L405 HydrophobicContact CD2-CD1 3.85Å; L394-L405 HydrophobicContact CD2-CG 3.92Å; L394-L471 HydrophobicContact CD2-CD1 3.97Å; L394-A492 HydrophobicContact CD1-CB 4.1Å; L394-W504 HydrophobicContact CD1-CE3 4.15Å; L394-M507 HydrophobicContact CB-CB 4.14Å; L394-M507 HydrophobicContact CB-CG 3.9Å; L394-M507 HydrophobicContact CB-SD 3.57Å; L394-M507 VanDerWaalsContact CB-SD 3.57Å; L394-M507 HydrophobicContact CD1-SD 4.05Å; L394-M507 HydrophobicContact CG-SD 4.34Å; L394-I515 PolarHBondContact N-O 2.92Å; L394-I515 PolarHBondContact O-N 2.86Å
395C98Very high92.5Very high26 Ų2632.3 Ų32.318%0.17618%0.183CC..EExtended strand (participates in β ladder)trans-145.4121.8173.5-174.70000110.4T404 R512 P514C395-T404 PolarHBondContact N-O 3.37Å; C395-T404 PolarHBondContact O-N 3.2Å; C395-R512 VanDerWaalsContact SG-C 3.55Å; C395-P514 HydrophobicContact CB-CB 4.36Å
396Y97.6Very high94.3Very high7 Ų731.8 Ų31.83%0.02718%0.182CC..EExtended strand (participates in β ladder)trans-107.3136.9176.1-169.8-121.7000112.4P398 R402 M403 I461 P463 V466 L508 R512Y396-P398 HydrophobicContact CD1-CB 4.39Å; Y396-P398 HydrophobicContact CD1-CG 3.7Å; Y396-P398 HydrophobicContact CE1-CB 3.84Å; Y396-P398 HydrophobicContact CE1-CG 3.65Å; Y396-R402 VanDerWaalsContact CD2-O 3.25Å; Y396-R402 WeakPolarHBondContact CD2-O 3.09Å; Y396-M403 HydrophobicContact CD2-CB 4.17Å; Y396-M403 HydrophobicContact CD2-CE 3.48Å; Y396-M403 VanDerWaalsContact CD2-CE 3.48Å; Y396-M403 HydrophobicContact CD2-SD 4.01Å; Y396-M403 HydrophobicContact CE2-CE 4.31Å; Y396-M403 HydrophobicContact CG-CE 3.86Å; Y396-M403 HydrophobicContact CG-SD 4.42Å; Y396-I461 HydrophobicContact CE2-CB 4.43Å; Y396-I461 WeakPolarHBondContact CE2-O 3.24Å; Y396-I461 PolarHBondContact OH-O 3.4Å; Y396-P463 WeakPolarHBondContact OH-CA 3.38Å; Y396-V466 HydrophobicContact CE1-CG2 3.74Å; Y396-V466 HydrophobicContact CE2-CG2 4.08Å; Y396-V466 VanDerWaalsContact CZ-CG2 3.48Å; Y396-V466 WeakPolarHBondContact OH-CG2 3.31Å; Y396-L508 HydrophobicContact CD1-CD2 4.06Å; Y396-R512 PolarHBondContact O-N 2.85Å
397L96.9Very high95.7Very high61 Ų6129.4 Ų29.432%0.31917%0.169SC..EExtended strand (participates in β ladder)trans-119.193174.4173.460.6000108.8T399 A400 G401 R402 R512L397-T399 VanDerWaalsContact C-N 3.33Å; L397-T399 PolarHBondContact O-N 3.13Å; L397-A400 HydrophobicContact CD2-CB 3.62Å; L397-A400 HydrophobicContact CG-CB 3.81Å; L397-A400 PolarHBondContact O-N 2.82Å; L397-G401 PolarHBondContact O-N 2.84Å; L397-R402 PolarHBondContact N-O 3.49Å; L397-R402 PolarHBondContact O-N 2.9Å; L397-R402 VanDerWaalsContact O-N 3.16Å; L397-R512 HydrophobicContact CD1-CG 3.71Å
398P95.3Very high96.4Very high48 Ų4830.7 Ų30.731%0.31218%0.176SC..G310 helixtrans-57.2-43.1-176.4-23.930.6000113.3Y396 A400 G401 P463 P511Y396-P398 HydrophobicContact CD1-CB 4.39Å; Y396-P398 HydrophobicContact CD1-CG 3.7Å; Y396-P398 HydrophobicContact CE1-CB 3.84Å; Y396-P398 HydrophobicContact CE1-CG 3.65Å; P398-A400 PolarHBondContact O-N 2.89Å; P398-G401 PolarHBondContact O-N 2.79Å; P398-P463 HydrophobicContact CB-CG 4.44Å; P398-P463 WeakPolarHBondContact O-CG 3.47Å; P398-P511 HydrophobicContact CG-CB 4.09Å
399T94.3Very high96.8Very high136 Ų13634.4 Ų34.483%0.83419%0.192SC*.G310 helixtrans-60.5-20.8-177.4-40.70000114.1L397L397-T399 VanDerWaalsContact C-N 3.33Å; L397-T399 PolarHBondContact O-N 3.13Å
400A94.8Very high97.1Very high51 Ų5132.4 Ų32.442%0.42118%0.183SC..G310 helixtrans-114.36.6177.200000112.8L397 P398 R402L397-A400 HydrophobicContact CD2-CB 3.62Å; L397-A400 HydrophobicContact CG-CB 3.81Å; L397-A400 PolarHBondContact O-N 2.82Å; P398-A400 PolarHBondContact O-N 2.89Å; A400-R402 HydrophobicContact CB-CB 4.24Å; A400-R402 PolarHBondContact O-N 2.83Å
401G95.9Very high96.7Very high13 Ų1336.7 Ų36.713%0.13420%0.199CC..THydrogen-bonded Turntrans49.643.7-172.500000112.5L397 P398 D460 I461L397-G401 PolarHBondContact O-N 2.84Å; P398-G401 PolarHBondContact O-N 2.79Å; G401-D460 CarbonylContact O-C 3.51Å; G401-D460 WeakPolarHBondContact O-CA 3.47Å; G401-I461 CarbonylContact C-O 3.58Å; G401-I461 VanDerWaalsContact CA-O 3.24Å; G401-I461 WeakPolarHBondContact CA-O 3.33Å; G401-I461 CarbonylContact O-C 3.44Å; G401-I461 PolarHBondContact O-N 2.05Å; G401-I461 VanDerWaalsContact O-O 3.07Å
402R96.3Very high96.2Very high112 Ų11238.2 Ų38.242%0.42321%0.208SC..EExtended strand (participates in β ladder)trans-126.9124.2-168.4-174.5172.8-69.2160.53.5113.2Y396 L397 A400 I458Y396-R402 VanDerWaalsContact CD2-O 3.25Å; Y396-R402 WeakPolarHBondContact CD2-O 3.09Å; L397-R402 PolarHBondContact N-O 3.49Å; L397-R402 PolarHBondContact O-N 2.9Å; L397-R402 VanDerWaalsContact O-N 3.16Å; A400-R402 HydrophobicContact CB-CB 4.24Å; A400-R402 PolarHBondContact O-N 2.83Å; R402-I458 HydrophobicContact CG-CG2 3.69Å
403M96.7Very high95.7Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-101135.6170.6-171.861.276.300110.7Y396 I458 F459 I461 W504 M507Y396-M403 HydrophobicContact CD2-CB 4.17Å; Y396-M403 HydrophobicContact CD2-CE 3.48Å; Y396-M403 VanDerWaalsContact CD2-CE 3.48Å; Y396-M403 HydrophobicContact CD2-SD 4.01Å; Y396-M403 HydrophobicContact CE2-CE 4.31Å; Y396-M403 HydrophobicContact CG-CE 3.86Å; Y396-M403 HydrophobicContact CG-SD 4.42Å; M403-I458 WeakPolarHBondContact O-CA 3.42Å; M403-F459 HydrophobicContact CB-CB 4.37Å; M403-F459 WeakPolarHBondContact CB-O 3.36Å; M403-F459 PolarHBondContact N-O 3.2Å; M403-F459 PolarHBondContact O-N 2.91Å; M403-I461 HydrophobicContact CB-CD1 3.63Å; M403-I461 HydrophobicContact CB-CG1 4.17Å; M403-I461 HydrophobicContact CE-CD1 4.43Å; M403-I461 HydrophobicContact CG-CD1 4.07Å; M403-W504 HydrophobicContact CE-CH2 3.69Å; M403-W504 HydrophobicContact CE-CZ2 4.25Å; M403-W504 HydrophobicContact CE-CZ3 3.95Å; M403-M507 HydrophobicContact CE-CE 3.47Å; M403-M507 VanDerWaalsContact CE-CE 3.47Å; M403-M507 HydrophobicContact CE-SD 3.45Å; M403-M507 WeakPolarHBondContact CE-SD 3.12Å; M403-M507 HydrophobicContact SD-CE 4.21Å; M403-M507 HydrophobicContact SD-SD 3.32Å
404T98Very high95Very high36 Ų3641.9 Ų41.922%0.22122%0.223CC..EExtended strand (participates in β ladder)trans-122.4118.2170.4-50.10000109.3C395 A456 I458C395-T404 PolarHBondContact N-O 3.37Å; C395-T404 PolarHBondContact O-N 3.2Å; T404-A456 HydrophobicContact CG2-CB 4.18Å; T404-I458 HydrophobicContact CG2-CG1 4.23Å
405L98.3Very high94.4Very high0 Ų043.8 Ų43.80%024%0.239CC..EExtended strand (participates in β ladder)trans-102.6116.8167.1179.5156.4000108.1Y392 S393 L394 V407 V428 I457 L471 I473Y392-L405 HydrophobicContact CD2-CD1 4.04Å; Y392-L405 HydrophobicContact CD2-CG 4.1Å; Y392-L405 HydrophobicContact CE2-CD1 4.39Å; S393-L405 CarbonylContact O-C 3.6Å; S393-L405 VanDerWaalsContact O-CA 3.29Å; S393-L405 WeakPolarHBondContact O-CA 3.42Å; L394-L405 HydrophobicContact CD2-CB 3.95Å; L394-L405 HydrophobicContact CD2-CD1 3.85Å; L394-L405 HydrophobicContact CD2-CG 3.92Å; L405-V407 HydrophobicContact CD2-CG2 3.49Å; L405-V407 VanDerWaalsContact CD2-CG2 3.49Å; L405-V428 HydrophobicContact CD1-CG1 4.32Å; L405-V428 HydrophobicContact CD2-CG2 4.36Å; L405-I457 PolarHBondContact N-O 3.01Å; L405-I457 PolarHBondContact O-N 2.94Å; L405-L471 HydrophobicContact CB-CD1 4.46Å; L405-L471 HydrophobicContact CD1-CD1 3.74Å; L405-I473 HydrophobicContact CD1-CD1 3.67Å; L405-I473 HydrophobicContact CD1-CG1 4.02Å
406T98.6Very high93.6Very high42 Ų4244.9 Ų44.926%0.25824%0.242SC..EExtended strand (participates in β ladder)trans-99.7111.8174.4-55.90000109.3Y392 S393 I408 E455Y392-T406 CarbonylContact C-O 3.53Å; Y392-T406 WeakPolarHBondContact CA-O 3.16Å; Y392-T406 WeakPolarHBondContact CB-O 3.31Å; S393-T406 PolarHBondContact N-O 3.04Å; S393-T406 PolarHBondContact O-N 2.59Å; T406-I408 HydrophobicContact CG2-CG1 4.27Å; T406-I408 PolarHBondContact O-N 2.74Å; T406-E455 WeakPolarHBondContact CA-O 3.22Å
407V98.5Very high92.6Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-74.9114.2171.2-177.70000107.6I390 L405 V426 T442 Y453 N454 E455 I457I390-V407 HydrophobicContact CD1-CG1 4.32Å; L405-V407 HydrophobicContact CD2-CG2 3.49Å; L405-V407 VanDerWaalsContact CD2-CG2 3.49Å; V407-V426 HydrophobicContact CG1-CB 4.2Å; V407-V426 HydrophobicContact CG1-CG1 4.47Å; V407-V426 HydrophobicContact CG1-CG2 3.81Å; V407-V426 HydrophobicContact CG2-CB 4.31Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V407-T442 HydrophobicContact CB-CG2 3.92Å; V407-T442 HydrophobicContact CG1-CG2 4.13Å; V407-T442 HydrophobicContact CG2-CG2 3.81Å; V407-Y453 HydrophobicContact CG1-CD2 3.5Å; V407-Y453 VanDerWaalsContact CG1-CD2 3.5Å; V407-Y453 HydrophobicContact CG1-CE2 4.12Å; V407-Y453 HydrophobicContact CG1-CG 3.85Å; V407-N454 CarbonylContact O-C 3.59Å; V407-N454 VanDerWaalsContact O-CA 3.28Å; V407-N454 WeakPolarHBondContact O-CA 3.46Å; V407-N454 PolarHBondContact O-N 3.3Å; V407-E455 PolarHBondContact N-O 2.96Å; V407-E455 PolarHBondContact O-N 2.75Å; V407-I457 HydrophobicContact CG2-CD1 4.11Å
408I98.1Very high91.4Very high31 Ų3153 Ų5316%0.15928%0.284CS..EExtended strand (participates in β ladder)trans-93.3-62.2-174.5-51.7174.5000109.6M391 T406 Y453 N454 T516M391-I408 HydrophobicContact CE-CB 3.79Å; M391-I408 HydrophobicContact CE-CD1 3.69Å; M391-I408 HydrophobicContact CE-CG1 4.33Å; M391-I408 HydrophobicContact CE-CG2 3.48Å; M391-I408 VanDerWaalsContact CE-CG2 3.48Å; M391-I408 WeakPolarHBondContact O-CB 3.45Å; M391-I408 PolarHBondContact O-N 3.47Å; T406-I408 HydrophobicContact CG2-CG1 4.27Å; T406-I408 PolarHBondContact O-N 2.74Å; I408-Y453 PolarHBondContact O-N 2.94Å; I408-N454 WeakPolarHBondContact CG2-OD1 3.36Å; I408-N454 PolarHBondContact O-N 3.43Å; I408-N454 VanDerWaalsContact O-N 3.1Å; I408-T516 HydrophobicContact CD1-CG2 3.57Å
409K96.8Very high90.4Very high77 Ų7755.7 Ų55.734%0.33530%0.3SS..EExtended strand (participates in β ladder)trans-162.7162.4-179.162.9-173.5-178.9-177.60111.8M391 P451 V452 W518M391-K409 HydrophobicContact CB-CG 4.12Å; M391-K409 HydrophobicContact CE-CD 4.44Å; M391-K409 HydrophobicContact CE-CG 4.3Å; M391-K409 PolarHBondContact N-O 3.17Å; M391-K409 PolarHBondContact O-N 2.91Å; K409-P451 CarbonylContact C-O 3.48Å; K409-P451 WeakPolarHBondContact CA-O 3.08Å; K409-P451 VanDerWaalsContact CB-O 3.3Å; K409-P451 WeakPolarHBondContact CB-O 3.35Å; K409-V452 HydrophobicContact CB-CB 4.31Å; K409-V452 HydrophobicContact CB-CG1 4.43Å; K409-V452 HydrophobicContact CB-CG2 3.96Å; K409-W518 HydrophobicContact CD-CH2 4.28Å; K409-W518 VanDerWaalsContact CE-CZ2 3.47Å; K409-W518 HydrophobicContact CG-CH2 4Å
410C96.3Very high89.4Confident3 Ų351.7 Ų51.72%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-113.6163.7162.4-50.10000110.6E389 L413 N450 P451E389-C410 CarbonylContact O-C 3.55Å; E389-C410 WeakPolarHBondContact O-CA 3.48Å; E389-C410 VanDerWaalsContact O-CB 3.3Å; E389-C410 WeakPolarHBondContact O-CB 3.41Å; C410-L413 HydrophobicContact CB-CD1 3.94Å; C410-L413 HydrophobicContact CB-CD2 3.74Å; C410-L413 HydrophobicContact CB-CG 3.87Å; C410-N450 CarbonylContact O-C 3.53Å; C410-N450 WeakPolarHBondContact O-CA 3.44Å; C410-P451 HydrophobicContact CB-CG 3.85Å; C410-P451 PolarHBondContact N-O 3.08Å
411R88.8Confident88.9Confident90 Ų9049.9 Ų49.934%0.3427%0.27SS..EExtended strand (participates in β ladder)trans-137.2158.1168.470.3-176.6177.2-164-6110.9G388 E389 L413 L449 N450 W518G388-R411 WeakPolarHBondContact CA-O 3.32Å; E389-R411 HydrophobicContact CB-CG 4.19Å; E389-R411 PolarHBondContact N-O 2.77Å; E389-R411 PolarHBondContact O-N 3.15Å; E389-R411 IonicContact OE1-CZ 3.42Å; E389-R411 IonicContact OE1-NE 3.19Å; E389-R411 IonicContact OE1-NH2 2.67Å; E389-R411 PolarHBondContact OE1-NH2 3.16Å; E389-R411 IonicContact OE2-CZ 3.82Å; E389-R411 IonicContact OE2-NE 3.52Å; E389-R411 PolarHBondContact OE2-NE 3.01Å; E389-R411 IonicContact OE2-NH2 3.49Å; E389-R411 PolarHBondContact OE2-NH2 2.87Å; R411-L413 PolarHBondContact O-N 2.92Å; R411-L413 VanDerWaalsContact O-N 3.13Å; R411-L449 CarbonylContact C-O 3.51Å; R411-N450 VanDerWaalsContact CA-OD1 3.26Å; R411-N450 WeakPolarHBondContact CA-OD1 3.37Å; R411-N450 WeakPolarHBondContact CB-OD1 3.23Å; R411-W518 HydrophobicContact CB-CH2 4.09Å; R411-W518 HydrophobicContact CB-CZ3 4.21Å; R411-W518 HydrophobicContact CG-CE3 4.42Å; R411-W518 HydrophobicContact CG-CH2 3.75Å; R411-W518 HydrophobicContact CG-CZ3 3.6Å
412N85.3Confident88.6Confident62 Ų6249.3 Ų49.333%0.33226%0.264SS..SBendtrans52.330.4174.8-62.4-3.3000115.1G388 L449 N450G388-N412 WeakPolarHBondContact CA-O 3.12Å; N412-L449 PolarHBondContact N-O 3.44Å; N412-N450 PolarHBondContact N-OD1 2.75Å; N412-N450 VanDerWaalsContact N-OD1 3.16Å
413L88.4Confident88.5Confident5 Ų544.3 Ų44.33%0.02625%0.245CC..PPolyproline II helixtrans-57.8144.1179.8-64-179.2000111.5L387 C410 R411 A415 P424 L449 P451 V475 I487 L521L387-L413 WeakPolarHBondContact O-CA 3.43Å; C410-L413 HydrophobicContact CB-CD1 3.94Å; C410-L413 HydrophobicContact CB-CD2 3.74Å; C410-L413 HydrophobicContact CB-CG 3.87Å; R411-L413 PolarHBondContact O-N 2.92Å; R411-L413 VanDerWaalsContact O-N 3.13Å; L413-A415 PolarHBondContact O-N 2.71Å; L413-P424 HydrophobicContact CD1-CB 3.83Å; L413-P424 HydrophobicContact CD1-CG 4.02Å; L413-L449 HydrophobicContact CB-CB 4.3Å; L413-L449 HydrophobicContact CB-CD2 4.45Å; L413-L449 PolarHBondContact N-O 2.89Å; L413-L449 WeakPolarHBondContact O-CD2 3.24Å; L413-P451 HydrophobicContact CD1-CG 3.79Å; L413-V475 HydrophobicContact CD1-CG1 3.94Å; L413-V475 HydrophobicContact CD2-CG1 4.04Å; L413-I487 HydrophobicContact CB-CG2 4.29Å; L413-I487 HydrophobicContact CD2-CG2 4.21Å; L413-L521 HydrophobicContact CD2-CD1 3.59Å
414K84.2Confident88.6Confident80 Ų8044.3 Ų44.335%0.34825%0.245SC..PPolyproline II helixtrans-60.4129.5168.4173.5-177173.1-167.20109.3L387 M416 S422 I487L387-K414 HydrophobicContact CD2-CB 4.38Å; L387-K414 HydrophobicContact CD2-CD 3.58Å; L387-K414 PolarHBondContact O-N 2.81Å; K414-M416 HydrophobicContact CD-SD 3.67Å; K414-M416 WeakPolarHBondContact CE-SD 3.27Å; K414-M416 HydrophobicContact CG-SD 3.78Å; K414-S422 PolarHBondContact O-OG 3.48Å; K414-I487 HydrophobicContact CB-CG2 4.31Å
415A84.5Confident88.6Confident40 Ų4043 Ų4333%0.33124%0.237SC..PPolyproline II helixtrans-74.9128.6170.600000110.1L413 S421 L449L413-A415 PolarHBondContact O-N 2.71Å; A415-S421 WeakPolarHBondContact CA-O 3.43Å; A415-S421 WeakPolarHBondContact CB-O 3.28Å; A415-L449 HydrophobicContact CB-CD1 4.11Å; A415-L449 HydrophobicContact CB-CD2 3.94Å
416M81.6Confident88.6Confident49 Ų4943 Ų4324%0.24124%0.237CC..  trans-108.3-32.2174.1-46.4-66.2-64.200111.6K414 S421 S422 D477 E485 I487K414-M416 HydrophobicContact CD-SD 3.67Å; K414-M416 WeakPolarHBondContact CE-SD 3.27Å; K414-M416 HydrophobicContact CG-SD 3.78Å; M416-S421 PolarHBondContact N-O 3.47Å; M416-S421 VanDerWaalsContact N-O 3.13Å; M416-S422 PolarHBondContact N-OG 2.73Å; M416-D477 HydrophobicContact CB-CB 4.44Å; M416-D477 WeakPolarHBondContact CB-OD2 3.45Å; M416-D477 HydrophobicContact CG-CB 4.3Å; M416-E485 HydrophobicContact CE-CB 4.15Å; M416-E485 WeakPolarHBondContact CE-OE2 3.48Å; M416-I487 HydrophobicContact CG-CG1 3.9Å
417D78Confident88.5Confident52 Ų5242.5 Ų42.528%0.27823%0.231SC..SBendtrans-58.9142.2174.5-85.8-54.5000111.6T419 G420 S421D417-T419 HydrophobicContact CB-CG2 4.29Å; D417-T419 WeakPolarHBondContact CB-OG1 3.45Å; D417-T419 PolarHBondContact O-N 2.89Å; D417-T419 PolarHBondContact OD2-OG1 3.39Å; D417-G420 PolarHBondContact O-N 2.63Å; D417-S421 WeakPolarHBondContact CB-O 3.39Å; D417-S421 PolarHBondContact N-O 3.31Å
418I71.8Confident88.5Confident186 Ų18642.5 Ų42.595%0.95423%0.231SC*.THydrogen-bonded Turntrans-54.6-22.2163.4-61.5164.1000111.7G420I418-G420 PolarHBondContact O-N 3.11Å
419T73.4Confident88.4Confident104 Ų10442.6 Ų42.664%0.63823%0.229SC*.THydrogen-bonded Turntrans-69.7-8.5174.575.20000114.4D417 S421D417-T419 HydrophobicContact CB-CG2 4.29Å; D417-T419 WeakPolarHBondContact CB-OG1 3.45Å; D417-T419 PolarHBondContact O-N 2.89Å; D417-T419 PolarHBondContact OD2-OG1 3.39Å; T419-S421 WeakPolarHBondContact OG1-CB 3.47Å
420G73.3Confident88.3Confident52 Ų5239.1 Ų39.154%0.53621%0.214SC..SBendtrans77.827.5-173.700000113.3D417 I418D417-G420 PolarHBondContact O-N 2.63Å; I418-G420 PolarHBondContact O-N 3.11Å
421S83.3Confident88.2Confident14 Ų1439.5 Ų39.510%0.09822%0.216CC..  trans-142.7-163-174.9-1540000110.7A415 M416 D417 T419 S447 T448A415-S421 WeakPolarHBondContact CA-O 3.43Å; A415-S421 WeakPolarHBondContact CB-O 3.28Å; M416-S421 PolarHBondContact N-O 3.47Å; M416-S421 VanDerWaalsContact N-O 3.13Å; D417-S421 WeakPolarHBondContact CB-O 3.39Å; D417-S421 PolarHBondContact N-O 3.31Å; T419-S421 WeakPolarHBondContact OG1-CB 3.47Å; S421-S447 VanDerWaalsContact CB-OG 3.26Å; S421-S447 WeakPolarHBondContact CB-OG 3.42Å; S421-S447 VanDerWaalsContact OG-CA 3.27Å; S421-S447 WeakPolarHBondContact OG-CA 3.38Å; S421-S447 PolarHBondContact OG-O 2.86Å; S421-S447 PolarHBondContact OG-OG 3.43Å; S421-T448 PolarHBondContact OG-N 2.92Å
422S90.6Very high88.2Confident0 Ų036.1 Ų36.10%021%0.207CC..  trans-155.2155.1171.7-77.40000110.6K414 M416 P424 S447 T448 D477K414-S422 PolarHBondContact O-OG 3.48Å; M416-S422 PolarHBondContact N-OG 2.73Å; S422-P424 WeakPolarHBondContact O-CD 3.48Å; S422-S447 CarbonylContact O-C 3.59Å; S422-S447 WeakPolarHBondContact O-CA 3.22Å; S422-S447 PolarHBondContact O-N 3.46Å; S422-T448 PolarHBondContact O-N 2.84Å; S422-D477 VanDerWaalsContact CA-OD2 3.29Å; S422-D477 WeakPolarHBondContact CA-OD2 3.27Å; S422-D477 WeakPolarHBondContact CB-OD2 3.35Å; S422-D477 PolarHBondContact OG-OD2 2.89Å
423D95Very high88.1Confident7 Ų737.5 Ų37.54%0.03721%0.214CC..  trans-99.367.5164.9-87.38.9000109.5T444 K445 K446 S447 D477 Y478 R480D423-T444 HydrophobicContact CB-CG2 4.16Å; D423-T444 WeakPolarHBondContact O-CG2 3.45Å; D423-K445 CarbonylContact C-O 3.12Å; D423-K445 WeakPolarHBondContact CA-O 3.47Å; D423-K446 WeakPolarHBondContact OD1-CA 3.5Å; D423-K446 WeakPolarHBondContact OD1-CB 3.44Å; D423-S447 PolarHBondContact OD1-N 3.44Å; D423-D477 WeakPolarHBondContact CA-OD1 3.37Å; D423-D477 PolarHBondContact N-OD1 3.49Å; D423-Y478 HydrophobicContact CB-CD1 4.44Å; D423-Y478 VanDerWaalsContact O-CB 3.31Å; D423-Y478 WeakPolarHBondContact O-CB 3.29Å; D423-Y478 PolarHBondContact O-N 3.19Å; D423-R480 IonicContact OD2-NE 3.35Å; D423-R480 IonicContact OD2-NH2 2.64Å
424P97.2Very high87.5Confident0 Ų039.1 Ų39.10%023%0.231CC..  trans-73.2149-166.831.7-40.5000115.9L413 S422 T444 K445 T448 P451 Y453 V475 M476 I487L413-P424 HydrophobicContact CD1-CB 3.83Å; L413-P424 HydrophobicContact CD1-CG 4.02Å; S422-P424 WeakPolarHBondContact O-CD 3.48Å; P424-T444 WeakPolarHBondContact O-CA 3.3Å; P424-K445 VanDerWaalsContact CD-O 3.25Å; P424-K445 WeakPolarHBondContact CD-O 3.34Å; P424-K445 VanDerWaalsContact N-O 3.13Å; P424-K445 PolarHBondContact O-N 3.31Å; P424-T448 WeakPolarHBondContact CD-O 3.18Å; P424-T448 HydrophobicContact CG-CG2 4.36Å; P424-T448 VanDerWaalsContact CG-O 3.28Å; P424-T448 WeakPolarHBondContact CG-O 3.23Å; P424-P451 HydrophobicContact CB-CG 4.33Å; P424-P451 HydrophobicContact CG-CB 3.92Å; P424-P451 HydrophobicContact CG-CG 3.68Å; P424-Y453 PolarHBondContact O-OH 3.46Å; P424-V475 HydrophobicContact CB-CG1 4.42Å; P424-M476 CarbonylContact C-O 3.46Å; P424-M476 WeakPolarHBondContact CA-O 3.28Å; P424-I487 HydrophobicContact CB-CD1 4.14Å
425Y98.1Very high87.4Confident10 Ų1042.4 Ų42.44%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-141.7153.6163.669.4-80.2000111.8K427 K441 M476 D477 N484Y425-K427 HydrophobicContact CE2-CB 4.18Å; Y425-K427 WeakPolarHBondContact OH-CE 3.4Å; Y425-K441 HydrophobicContact CD2-CB 4.24Å; Y425-K441 HydrophobicContact CD2-CD 4.12Å; Y425-K441 HydrophobicContact CE2-CD 4.24Å; Y425-M476 HydrophobicContact CD1-CB 3.91Å; Y425-M476 HydrophobicContact CD2-CB 4.28Å; Y425-M476 HydrophobicContact CD2-CG 4.36Å; Y425-M476 HydrophobicContact CE1-CB 3.44Å; Y425-M476 VanDerWaalsContact CE1-CB 3.44Å; Y425-M476 HydrophobicContact CE1-CG 4.26Å; Y425-M476 HydrophobicContact CE2-CB 3.84Å; Y425-M476 HydrophobicContact CE2-CG 3.75Å; Y425-M476 HydrophobicContact CG-CB 4.29Å; Y425-M476 PolarHBondContact N-O 3.1Å; Y425-M476 PolarHBondContact O-N 3.32Å; Y425-D477 WeakPolarHBondContact CE1-O 3.44Å; Y425-N484 HydrophobicContact CE1-CB 4.48Å; Y425-N484 PolarHBondContact OH-ND2 3.49Å; Y425-N484 VanDerWaalsContact OH-ND2 3.11Å
426V98.4Very high87.6Confident0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-98.5133.5177.8-178.30000110.2I390 V407 V428 K441 T442 Y453 I473 M474 V475I390-V426 HydrophobicContact CD1-CG1 3.98Å; I390-V426 HydrophobicContact CD1-CG2 3.83Å; V407-V426 HydrophobicContact CG1-CB 4.2Å; V407-V426 HydrophobicContact CG1-CG1 4.47Å; V407-V426 HydrophobicContact CG1-CG2 3.81Å; V407-V426 HydrophobicContact CG2-CB 4.31Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V426-V428 HydrophobicContact CG1-CG2 4Å; V426-K441 CarbonylContact O-C 3.39Å; V426-K441 WeakPolarHBondContact O-CA 3.47Å; V426-K441 WeakPolarHBondContact O-CB 3.44Å; V426-T442 HydrophobicContact CB-CG2 3.94Å; V426-T442 PolarHBondContact N-OG1 3.46Å; V426-T442 PolarHBondContact O-N 3.47Å; V426-Y453 HydrophobicContact CG2-CE2 3.84Å; V426-I473 HydrophobicContact CG1-CG2 3.87Å; V426-M474 CarbonylContact C-O 3.55Å; V426-M474 WeakPolarHBondContact CA-O 3.32Å; V426-V475 HydrophobicContact CG2-CG2 4.29Å
427K97.8Very high88Confident30 Ų3049.1 Ų49.113%0.1326%0.263CS..EExtended strand (participates in β ladder)trans-121.2114.7-177.6-177.1-166.6-66.9163.20108Y425 Y429 M474 M476Y425-K427 HydrophobicContact CE2-CB 4.18Å; Y425-K427 WeakPolarHBondContact OH-CE 3.4Å; K427-Y429 HydrophobicContact CD-CE2 3.63Å; K427-Y429 HydrophobicContact CG-CD2 4.4Å; K427-Y429 HydrophobicContact CG-CE2 3.8Å; K427-M474 HydrophobicContact CB-CB 4.42Å; K427-M474 HydrophobicContact CD-SD 4.1Å; K427-M474 PolarHBondContact N-O 3.07Å; K427-M474 PolarHBondContact O-N 3.24Å; K427-M476 HydrophobicContact CB-CG 3.83Å; K427-M476 HydrophobicContact CB-SD 4.43Å; K427-M476 HydrophobicContact CD-CG 4.28Å; K427-M476 HydrophobicContact CD-SD 4.02Å; K427-M476 VanDerWaalsContact CE-SD 3.59Å; K427-M476 PolarHBondContact NZ-SD 3.44Å
428V97.7Very high88.7Confident0 Ų049.8 Ų49.80%026%0.264CS..EExtended strand (participates in β ladder)trans-112.8129.8-175.4-173.50000110.5L405 V426 R440 I457 F459 L471 S472 I473L405-V428 HydrophobicContact CD1-CG1 4.32Å; L405-V428 HydrophobicContact CD2-CG2 4.36Å; V426-V428 HydrophobicContact CG1-CG2 4Å; V428-R440 PolarHBondContact N-O 3.2Å; V428-R440 PolarHBondContact O-N 3.44Å; V428-I457 HydrophobicContact CB-CD1 4.23Å; V428-I457 HydrophobicContact CG2-CD1 3.71Å; V428-F459 HydrophobicContact CB-CZ 4.28Å; V428-F459 HydrophobicContact CG1-CE2 3.78Å; V428-F459 HydrophobicContact CG1-CZ 3.84Å; V428-L471 HydrophobicContact CG1-CD2 4.44Å; V428-S472 WeakPolarHBondContact CA-O 3.17Å; V428-I473 HydrophobicContact CG1-CG1 4.22Å; V428-I473 HydrophobicContact CG2-CG1 4.4Å; V428-I473 HydrophobicContact CG2-CG2 4.37Å
429Y95.9Very high89.8Confident33 Ų3346 Ų4613%0.12924%0.241CC..EExtended strand (participates in β ladder)trans-112.9128.1172.3-70.9-99.6000110.1K427 R436 K438 K439 L471 S472 M474K427-Y429 HydrophobicContact CD-CE2 3.63Å; K427-Y429 HydrophobicContact CG-CD2 4.4Å; K427-Y429 HydrophobicContact CG-CE2 3.8Å; Y429-R436 HydrophobicContact CD1-CB 3.96Å; Y429-R436 HydrophobicContact CD1-CG 3.97Å; Y429-R436 HydrophobicContact CE1-CB 4.47Å; Y429-R436 HydrophobicContact CE1-CG 4.48Å; Y429-R436 HydrophobicContact CG-CG 4.47Å; Y429-K438 CarbonylContact C-O 3.34Å; Y429-K438 WeakPolarHBondContact CA-O 3.45Å; Y429-K439 HydrophobicContact CD1-CB 4.04Å; Y429-K439 HydrophobicContact CD1-CD 4.46Å; Y429-K439 HydrophobicContact CD1-CG 4.16Å; Y429-K439 HydrophobicContact CE1-CB 4.02Å; Y429-K439 HydrophobicContact CE1-CD 3.67Å; Y429-K439 HydrophobicContact CE1-CG 3.85Å; Y429-K439 HydrophobicContact CE2-CD 4.38Å; Y429-K439 HydrophobicContact CE2-CG 4.37Å; Y429-K439 VanDerWaalsContact OH-CE 3.31Å; Y429-K439 WeakPolarHBondContact OH-CE 3.18Å; Y429-K439 PolarHBondContact OH-NZ 3.48Å; Y429-L471 WeakPolarHBondContact O-CA 3.33Å; Y429-S472 PolarHBondContact N-O 2.98Å; Y429-S472 PolarHBondContact O-N 3.42Å; Y429-M474 HydrophobicContact CD2-CE 3.71Å; Y429-M474 HydrophobicContact CD2-SD 4.31Å; Y429-M474 HydrophobicContact CE2-CE 3.69Å; Y429-M474 HydrophobicContact CE2-SD 3.96Å
430L95.4Very high91Very high4 Ų447 Ų472%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-77.4121.2158.6-179.467000108.1L437 K438 F459 I461 V469 L471L430-L437 PolarHBondContact O-N 3.38Å; L430-K438 HydrophobicContact CB-CB 4.08Å; L430-K438 HydrophobicContact CD2-CB 4.36Å; L430-K438 HydrophobicContact CD2-CD 4.1Å; L430-K438 HydrophobicContact CD2-CG 4.34Å; L430-K438 PolarHBondContact N-O 3.42Å; L430-K438 PolarHBondContact O-N 3.34Å; L430-F459 HydrophobicContact CB-CD1 3.92Å; L430-F459 HydrophobicContact CB-CE1 3.92Å; L430-F459 HydrophobicContact CB-CG 4.42Å; L430-F459 HydrophobicContact CB-CZ 4.41Å; L430-F459 HydrophobicContact CD2-CB 4.4Å; L430-F459 HydrophobicContact CD2-CD1 4.29Å; L430-I461 HydrophobicContact CD1-CD1 3.59Å; L430-I461 HydrophobicContact CD1-CG1 4.23Å; L430-I461 HydrophobicContact CD2-CD1 4.39Å; L430-I461 HydrophobicContact CD2-CG1 4.15Å; L430-V469 HydrophobicContact CD1-CB 3.91Å; L430-V469 HydrophobicContact CD1-CG1 4.29Å; L430-V469 HydrophobicContact CD1-CG2 4.34Å; L430-L471 HydrophobicContact CB-CD2 4.37Å; L430-L471 HydrophobicContact CD1-CD2 3.8Å
431V92.7Very high92.1Very high11 Ų1151 Ų517%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-108.7145.9177-175.80000108.3R435 R436 V469 S470V431-R435 CarbonylContact C-O 3.51Å; V431-R435 WeakPolarHBondContact CA-O 3.33Å; V431-R436 HydrophobicContact CG2-CG 4.23Å; V431-V469 CarbonylContact O-C 3.56Å; V431-V469 WeakPolarHBondContact O-CA 3.37Å; V431-V469 WeakPolarHBondContact O-CB 3.16Å; V431-S470 PolarHBondContact N-O 2.99Å; V431-S470 PolarHBondContact O-N 2.94Å
432C89.2Confident92.9Very high20 Ų2050.6 Ų50.614%0.13523%0.232CC..EExtended strand (participates in β ladder)trans-140.3125.4170.7-174.90000108.7G434 R435 L437 Q468 V469C432-G434 PolarHBondContact O-N 3.37Å; C432-G434 VanDerWaalsContact O-N 3.16Å; C432-R435 PolarHBondContact N-O 3.31Å; C432-R435 PolarHBondContact O-N 2.86Å; C432-L437 HydrophobicContact CB-CD1 3.4Å; C432-L437 HydrophobicContact CB-CD2 4.39Å; C432-L437 HydrophobicContact CB-CG 3.78Å; C432-Q468 WeakPolarHBondContact CA-O 3.12Å; C432-V469 HydrophobicContact CB-CG1 3.95Å
433N83Confident93.2Very high91 Ų9154.1 Ų54.149%0.48725%0.254SS..THydrogen-bonded Turntrans47.144.7-178.2-65.8-51.1000113.1R435 Q468N433-R435 PolarHBondContact O-N 2.97Å; N433-Q468 PolarHBondContact N-O 2.87Å; N433-Q468 PolarHBondContact ND2-OE1 3.02Å
434G76.6Confident93.3Very high38 Ų3856 Ų5639%0.39227%0.265SS..THydrogen-bonded Turntrans79.7-20.8-17600000115.9C432C432-G434 PolarHBondContact O-N 3.37Å; C432-G434 VanDerWaalsContact O-N 3.16Å
435R81.9Confident93.3Very high149 Ų14958.4 Ų58.456%0.56228%0.276SS*.EExtended strand (participates in β ladder)trans-84.5127.9-176.9-61.3-176.2175.9-155.4-5111.9V431 C432 N433 L437V431-R435 CarbonylContact C-O 3.51Å; V431-R435 WeakPolarHBondContact CA-O 3.33Å; C432-R435 PolarHBondContact N-O 3.31Å; C432-R435 PolarHBondContact O-N 2.86Å; N433-R435 PolarHBondContact O-N 2.97Å; R435-L437 PolarHBondContact O-N 3.42Å
436R88.6Confident93.2Very high125 Ų12564.5 Ų64.547%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-74103177.8-71.7171.2172.5177.4-6.2110.4Y429 V431 E524Y429-R436 HydrophobicContact CD1-CB 3.96Å; Y429-R436 HydrophobicContact CD1-CG 3.97Å; Y429-R436 HydrophobicContact CE1-CB 4.47Å; Y429-R436 HydrophobicContact CE1-CG 4.48Å; Y429-R436 HydrophobicContact CG-CG 4.47Å; V431-R436 HydrophobicContact CG2-CG 4.23Å; R436-E524 IonicContact NH2-OE1 2.63Å
437L90Very high92.8Very high106 Ų10668 Ų6856%0.55533%0.327SS*.EExtended strand (participates in β ladder)trans-86.1-52.7-173.6-64-171000115.3L430 C432 R435L430-L437 PolarHBondContact O-N 3.38Å; C432-L437 HydrophobicContact CB-CD1 3.4Å; C432-L437 HydrophobicContact CB-CD2 4.39Å; C432-L437 HydrophobicContact CB-CG 3.78Å; R435-L437 PolarHBondContact O-N 3.42Å
438K93.4Very high92.5Very high65 Ų6568.4 Ų68.428%0.28333%0.332SS..EExtended strand (participates in β ladder)trans-129.9135.4-176.8-67178.5179.7172.10109.2Y429 L430 F459 D460Y429-K438 CarbonylContact C-O 3.34Å; Y429-K438 WeakPolarHBondContact CA-O 3.45Å; L430-K438 HydrophobicContact CB-CB 4.08Å; L430-K438 HydrophobicContact CD2-CB 4.36Å; L430-K438 HydrophobicContact CD2-CD 4.1Å; L430-K438 HydrophobicContact CD2-CG 4.34Å; L430-K438 PolarHBondContact N-O 3.42Å; L430-K438 PolarHBondContact O-N 3.34Å; K438-F459 HydrophobicContact CB-CD1 3.88Å; K438-F459 HydrophobicContact CB-CE1 3.84Å; K438-F459 HydrophobicContact CD-CD1 4.09Å; K438-D460 PolarHBondContact NZ-O 2.99Å; K438-D460 IonicContact NZ-OD2 3.57Å; K438-D460 PolarHBondContact NZ-OD2 2.62Å
439K95.4Very high92.1Very high108 Ų10870.5 Ų70.547%0.4734%0.343SS..EExtended strand (participates in β ladder)trans-114.4139.1176.4-177.1179.7-178.9165.70111Y429Y429-K439 HydrophobicContact CD1-CB 4.04Å; Y429-K439 HydrophobicContact CD1-CD 4.46Å; Y429-K439 HydrophobicContact CD1-CG 4.16Å; Y429-K439 HydrophobicContact CE1-CB 4.02Å; Y429-K439 HydrophobicContact CE1-CD 3.67Å; Y429-K439 HydrophobicContact CE1-CG 3.85Å; Y429-K439 HydrophobicContact CE2-CD 4.38Å; Y429-K439 HydrophobicContact CE2-CG 4.37Å; Y429-K439 VanDerWaalsContact OH-CE 3.31Å; Y429-K439 WeakPolarHBondContact OH-CE 3.18Å; Y429-K439 PolarHBondContact OH-NZ 3.48Å
440R97.8Very high92Very high125 Ų12572.8 Ų72.847%0.47236%0.357SS..EExtended strand (participates in β ladder)trans-140.4163.5173.2-64-66.8-178.8-103.48.9109.8V428 I457 F459V428-R440 PolarHBondContact N-O 3.2Å; V428-R440 PolarHBondContact O-N 3.44Å; R440-I457 HydrophobicContact CB-CD1 4.38Å; R440-I457 HydrophobicContact CB-CG2 3.51Å; R440-I457 HydrophobicContact CG-CG2 3.75Å; R440-F459 HydrophobicContact CB-CE1 4.47Å; R440-F459 HydrophobicContact CB-CZ 4.21Å; R440-F459 HydrophobicContact CG-CE1 3.76Å; R440-F459 HydrophobicContact CG-CZ 3.95Å
441K97.1Very high92.1Very high136 Ų13672.7 Ų72.759%0.59136%0.357SS*.EExtended strand (participates in β ladder)trans-148.4157.5172.564.1163.3-174.3167.50111.5Y425 V426Y425-K441 HydrophobicContact CD2-CB 4.24Å; Y425-K441 HydrophobicContact CD2-CD 4.12Å; Y425-K441 HydrophobicContact CE2-CD 4.24Å; V426-K441 CarbonylContact O-C 3.39Å; V426-K441 WeakPolarHBondContact O-CA 3.47Å; V426-K441 WeakPolarHBondContact O-CB 3.44Å
442T98.3Very high92.3Very high5 Ų575.9 Ų75.93%0.03138%0.376CS..  trans-78.5175.9168.363.40000111.4V407 V426 Y453 E455 I457V407-T442 HydrophobicContact CB-CG2 3.92Å; V407-T442 HydrophobicContact CG1-CG2 4.13Å; V407-T442 HydrophobicContact CG2-CG2 3.81Å; V426-T442 HydrophobicContact CB-CG2 3.94Å; V426-T442 PolarHBondContact N-OG1 3.46Å; V426-T442 PolarHBondContact O-N 3.47Å; T442-Y453 HydrophobicContact CG2-CD1 4.11Å; T442-Y453 HydrophobicContact CG2-CG 4.42Å; T442-Y453 WeakPolarHBondContact OG1-CE1 3.33Å; T442-E455 WeakPolarHBondContact CA-OE2 3.07Å; T442-E455 WeakPolarHBondContact CB-OE2 3.32Å; T442-E455 HydrophobicContact CG2-CB 4.12Å; T442-I457 HydrophobicContact CG2-CD1 4.28Å
443T97.9Very high92.8Very high74 Ų7475.6 Ų75.645%0.45437%0.372SS..PPolyproline II helixtrans-64.1156.9157.469.80000111.1K445 Y453 E455T443-K445 PolarHBondContact OG1-NZ 2.91Å; T443-Y453 WeakPolarHBondContact O-CE1 3.29Å; T443-E455 PolarHBondContact N-OE2 3.38Å; T443-E455 PolarHBondContact OG1-OE1 3.4Å
444T97.5Very high93.4Very high46 Ų4676.4 Ų76.428%0.28238%0.377SS..PPolyproline II helixtrans-86.9131.8173.5-51.40000110D423 P424 Y478D423-T444 HydrophobicContact CB-CG2 4.16Å; D423-T444 WeakPolarHBondContact O-CG2 3.45Å; P424-T444 WeakPolarHBondContact O-CA 3.3Å; T444-Y478 HydrophobicContact CG2-CD1 4.12Å; T444-Y478 HydrophobicContact CG2-CG 4.18Å
445K97.3Very high94.5Very high50 Ų5076.6 Ų76.622%0.21737%0.367CS..PPolyproline II helixtrans-98.5145.1167.9-49.8-45.7-173.9-161.50108.1D423 P424 T443 T448 P451 V452 Y453 E455D423-K445 CarbonylContact C-O 3.12Å; D423-K445 WeakPolarHBondContact CA-O 3.47Å; P424-K445 VanDerWaalsContact CD-O 3.25Å; P424-K445 WeakPolarHBondContact CD-O 3.34Å; P424-K445 VanDerWaalsContact N-O 3.13Å; P424-K445 PolarHBondContact O-N 3.31Å; T443-K445 PolarHBondContact OG1-NZ 2.91Å; K445-T448 HydrophobicContact CB-CG2 3.8Å; K445-P451 HydrophobicContact CB-CB 3.94Å; K445-P451 HydrophobicContact CG-CB 3.74Å; K445-V452 WeakPolarHBondContact CE-O 3.39Å; K445-Y453 HydrophobicContact CD-CD1 4.37Å; K445-Y453 HydrophobicContact CD-CE1 4.46Å; K445-Y453 HydrophobicContact CG-CD1 4.15Å; K445-Y453 HydrophobicContact CG-CE1 3.86Å; K445-E455 IonicContact NZ-OE1 3.79Å; K445-E455 PolarHBondContact NZ-OE1 3.39Å
446K94.8Very high95.2Very high139 Ų13972.7 Ų72.760%0.60437%0.367SS*.PPolyproline II helixtrans-101.2142.2-173.7-64.3-170.5173.6178.70112.9D423 T448D423-K446 WeakPolarHBondContact OD1-CA 3.5Å; D423-K446 WeakPolarHBondContact OD1-CB 3.44Å; K446-T448 PolarHBondContact O-N 3.23Å
447S91.1Very high95.7Very high73 Ų7367.2 Ų67.251%0.5135%0.347SS..SBendtrans38.159.7176.7-153.70000113.4S421 S422 D423S421-S447 VanDerWaalsContact CB-OG 3.26Å; S421-S447 WeakPolarHBondContact CB-OG 3.42Å; S421-S447 VanDerWaalsContact OG-CA 3.27Å; S421-S447 WeakPolarHBondContact OG-CA 3.38Å; S421-S447 PolarHBondContact OG-O 2.86Å; S421-S447 PolarHBondContact OG-OG 3.43Å; S422-S447 CarbonylContact O-C 3.59Å; S422-S447 WeakPolarHBondContact O-CA 3.22Å; S422-S447 PolarHBondContact O-N 3.46Å; D423-S447 PolarHBondContact OD1-N 3.44Å
448T90.8Very high96Very high38 Ų3865.9 Ų65.923%0.23334%0.34CS..  trans-149.1129178.4-179.70000113.5S421 S422 P424 K445 K446 N450 P451S421-T448 PolarHBondContact OG-N 2.92Å; S422-T448 PolarHBondContact O-N 2.84Å; P424-T448 WeakPolarHBondContact CD-O 3.18Å; P424-T448 HydrophobicContact CG-CG2 4.36Å; P424-T448 VanDerWaalsContact CG-O 3.28Å; P424-T448 WeakPolarHBondContact CG-O 3.23Å; K445-T448 HydrophobicContact CB-CG2 3.8Å; K446-T448 PolarHBondContact O-N 3.23Å; T448-N450 VanDerWaalsContact C-N 3.28Å; T448-N450 PolarHBondContact OG1-N 2.88Å; T448-N450 VanDerWaalsContact OG1-N 3.1Å; T448-P451 HydrophobicContact CG2-CB 4.02Å
449L90.4Very high96.2Very high44 Ų4462.8 Ų62.823%0.2333%0.326CS..SBendtrans-86.52171.5-52-178.7000113R411 N412 L413 A415 P451R411-L449 CarbonylContact C-O 3.51Å; N412-L449 PolarHBondContact N-O 3.44Å; L413-L449 HydrophobicContact CB-CB 4.3Å; L413-L449 HydrophobicContact CB-CD2 4.45Å; L413-L449 PolarHBondContact N-O 2.89Å; L413-L449 WeakPolarHBondContact O-CD2 3.24Å; A415-L449 HydrophobicContact CB-CD1 4.11Å; A415-L449 HydrophobicContact CB-CD2 3.94Å; L449-P451 VanDerWaalsContact C-CD 3.5Å
450N93.3Very high96.2Very high81 Ų8161.6 Ų61.643%0.43333%0.325SS..SBendtrans-136.457.6-179-61.1-91.5000111C410 R411 N412 T448C410-N450 CarbonylContact O-C 3.53Å; C410-N450 WeakPolarHBondContact O-CA 3.44Å; R411-N450 VanDerWaalsContact CA-OD1 3.26Å; R411-N450 WeakPolarHBondContact CA-OD1 3.37Å; R411-N450 WeakPolarHBondContact CB-OD1 3.23Å; N412-N450 PolarHBondContact N-OD1 2.75Å; N412-N450 VanDerWaalsContact N-OD1 3.16Å; T448-N450 VanDerWaalsContact C-N 3.28Å; T448-N450 PolarHBondContact OG1-N 2.88Å; T448-N450 VanDerWaalsContact OG1-N 3.1Å
451P96.9Very high96.1Very high2 Ų255.9 Ų55.91%0.01330%0.304CS..  trans-67.4139.9-177.529.6-37.8000112.3K409 C410 L413 P424 K445 T448 L449 Y453K409-P451 CarbonylContact C-O 3.48Å; K409-P451 WeakPolarHBondContact CA-O 3.08Å; K409-P451 VanDerWaalsContact CB-O 3.3Å; K409-P451 WeakPolarHBondContact CB-O 3.35Å; C410-P451 HydrophobicContact CB-CG 3.85Å; C410-P451 PolarHBondContact N-O 3.08Å; L413-P451 HydrophobicContact CD1-CG 3.79Å; P424-P451 HydrophobicContact CB-CG 4.33Å; P424-P451 HydrophobicContact CG-CB 3.92Å; P424-P451 HydrophobicContact CG-CG 3.68Å; K445-P451 HydrophobicContact CB-CB 3.94Å; K445-P451 HydrophobicContact CG-CB 3.74Å; T448-P451 HydrophobicContact CG2-CB 4.02Å; L449-P451 VanDerWaalsContact C-CD 3.5Å; P451-Y453 HydrophobicContact CB-CD2 4.43Å; P451-Y453 HydrophobicContact CB-CE1 4.39Å; P451-Y453 HydrophobicContact CB-CE2 3.7Å; P451-Y453 HydrophobicContact CG-CE2 3.63Å; P451-Y453 WeakPolarHBondContact CG-OH 3.35Å
452V97.9Very high96Very high79 Ų7951.7 Ų51.748%0.47929%0.291SS..EExtended strand (participates in β ladder)trans-112.1122.4169.2-179.80000108.4K409 K445K409-V452 HydrophobicContact CB-CB 4.31Å; K409-V452 HydrophobicContact CB-CG1 4.43Å; K409-V452 HydrophobicContact CB-CG2 3.96Å; K445-V452 WeakPolarHBondContact CE-O 3.39Å
453Y98.1Very high95.7Very high13 Ų1354.5 Ų54.55%0.05131%0.309CS..EExtended strand (participates in β ladder)trans-103-58.6-176.3-57.8-87.9000111.5V407 I408 P424 V426 T442 T443 K445 P451 E455V407-Y453 HydrophobicContact CG1-CD2 3.5Å; V407-Y453 VanDerWaalsContact CG1-CD2 3.5Å; V407-Y453 HydrophobicContact CG1-CE2 4.12Å; V407-Y453 HydrophobicContact CG1-CG 3.85Å; I408-Y453 PolarHBondContact O-N 2.94Å; P424-Y453 PolarHBondContact O-OH 3.46Å; V426-Y453 HydrophobicContact CG2-CE2 3.84Å; T442-Y453 HydrophobicContact CG2-CD1 4.11Å; T442-Y453 HydrophobicContact CG2-CG 4.42Å; T442-Y453 WeakPolarHBondContact OG1-CE1 3.33Å; T443-Y453 WeakPolarHBondContact O-CE1 3.29Å; K445-Y453 HydrophobicContact CD-CD1 4.37Å; K445-Y453 HydrophobicContact CD-CE1 4.46Å; K445-Y453 HydrophobicContact CG-CD1 4.15Å; K445-Y453 HydrophobicContact CG-CE1 3.86Å; P451-Y453 HydrophobicContact CB-CD2 4.43Å; P451-Y453 HydrophobicContact CB-CE1 4.39Å; P451-Y453 HydrophobicContact CB-CE2 3.7Å; P451-Y453 HydrophobicContact CG-CE2 3.63Å; P451-Y453 WeakPolarHBondContact CG-OH 3.35Å; Y453-E455 VanDerWaalsContact C-N 3.28Å
454N97.6Very high95.5Very high109 Ų10957.4 Ų57.458%0.58332%0.317SS*.EExtended strand (participates in β ladder)trans55.238.7-167.7-54.5-41.2000113.2V407 I408V407-N454 CarbonylContact O-C 3.59Å; V407-N454 VanDerWaalsContact O-CA 3.28Å; V407-N454 WeakPolarHBondContact O-CA 3.46Å; V407-N454 PolarHBondContact O-N 3.3Å; I408-N454 WeakPolarHBondContact CG2-OD1 3.36Å; I408-N454 PolarHBondContact O-N 3.43Å; I408-N454 VanDerWaalsContact O-N 3.1Å
455E98.3Very high95.2Very high41 Ų4158.1 Ų58.119%0.19232%0.32CS..EExtended strand (participates in β ladder)trans-108.1123.5-171.5-71.5174.2-130.400111.6T406 V407 T442 T443 K445 Y453T406-E455 WeakPolarHBondContact CA-O 3.22Å; V407-E455 PolarHBondContact N-O 2.96Å; V407-E455 PolarHBondContact O-N 2.75Å; T442-E455 WeakPolarHBondContact CA-OE2 3.07Å; T442-E455 WeakPolarHBondContact CB-OE2 3.32Å; T442-E455 HydrophobicContact CG2-CB 4.12Å; T443-E455 PolarHBondContact N-OE2 3.38Å; T443-E455 PolarHBondContact OG1-OE1 3.4Å; K445-E455 IonicContact NZ-OE1 3.79Å; K445-E455 PolarHBondContact NZ-OE1 3.39Å; Y453-E455 VanDerWaalsContact C-N 3.28Å
456A97.9Very high94.9Very high67 Ų6756.1 Ų56.155%0.55431%0.311SS*.EExtended strand (participates in β ladder)trans-88.4123179.500000111.9T404T404-A456 HydrophobicContact CG2-CB 4.18Å
457I97.8Very high94.7Very high10 Ų1057.4 Ų57.45%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-107.5119.4175-63.7179.2000108.1L405 V407 V428 R440 T442 F459L405-I457 PolarHBondContact N-O 3.01Å; L405-I457 PolarHBondContact O-N 2.94Å; V407-I457 HydrophobicContact CG2-CD1 4.11Å; V428-I457 HydrophobicContact CB-CD1 4.23Å; V428-I457 HydrophobicContact CG2-CD1 3.71Å; R440-I457 HydrophobicContact CB-CD1 4.38Å; R440-I457 HydrophobicContact CB-CG2 3.51Å; R440-I457 HydrophobicContact CG-CG2 3.75Å; T442-I457 HydrophobicContact CG2-CD1 4.28Å; I457-F459 HydrophobicContact CG2-CD2 4.22Å; I457-F459 HydrophobicContact CG2-CE2 3.52Å; I457-F459 HydrophobicContact CG2-CZ 3.73Å
458I97.3Very high94.7Very high79 Ų7958.6 Ų58.641%0.40532%0.317SS..EExtended strand (participates in β ladder)trans-106.5134.7-176.3-59175.5000110.3R402 M403 T404R402-I458 HydrophobicContact CG-CG2 3.69Å; M403-I458 WeakPolarHBondContact O-CA 3.42Å; T404-I458 HydrophobicContact CG2-CG1 4.23Å
459F96.9Very high94.9Very high0 Ų057 Ų570%031%0.308CS..EExtended strand (participates in β ladder)trans-127.8128.4170.9-61.5-78.1000110.4M403 V428 L430 K438 R440 I457 I461 L471M403-F459 HydrophobicContact CB-CB 4.37Å; M403-F459 WeakPolarHBondContact CB-O 3.36Å; M403-F459 PolarHBondContact N-O 3.2Å; M403-F459 PolarHBondContact O-N 2.91Å; V428-F459 HydrophobicContact CB-CZ 4.28Å; V428-F459 HydrophobicContact CG1-CE2 3.78Å; V428-F459 HydrophobicContact CG1-CZ 3.84Å; L430-F459 HydrophobicContact CB-CD1 3.92Å; L430-F459 HydrophobicContact CB-CE1 3.92Å; L430-F459 HydrophobicContact CB-CG 4.42Å; L430-F459 HydrophobicContact CB-CZ 4.41Å; L430-F459 HydrophobicContact CD2-CB 4.4Å; L430-F459 HydrophobicContact CD2-CD1 4.29Å; K438-F459 HydrophobicContact CB-CD1 3.88Å; K438-F459 HydrophobicContact CB-CE1 3.84Å; K438-F459 HydrophobicContact CD-CD1 4.09Å; R440-F459 HydrophobicContact CB-CE1 4.47Å; R440-F459 HydrophobicContact CB-CZ 4.21Å; R440-F459 HydrophobicContact CG-CE1 3.76Å; R440-F459 HydrophobicContact CG-CZ 3.95Å; I457-F459 HydrophobicContact CG2-CD2 4.22Å; I457-F459 HydrophobicContact CG2-CE2 3.52Å; I457-F459 HydrophobicContact CG2-CZ 3.73Å; F459-I461 HydrophobicContact CB-CD1 4.13Å; F459-I461 HydrophobicContact CB-CG1 4.04Å; F459-I461 PolarHBondContact O-N 3.24Å; F459-L471 HydrophobicContact CD2-CD2 4.03Å; F459-L471 HydrophobicContact CE2-CD2 3.9Å
460D95.9Very high95.1Very high83 Ų8355.2 Ų55.244%0.44430%0.298SS..EExtended strand (participates in β ladder)trans-78.5118.7168-20.9-89.3000108G401 K438G401-D460 CarbonylContact O-C 3.51Å; G401-D460 WeakPolarHBondContact O-CA 3.47Å; K438-D460 PolarHBondContact NZ-O 2.99Å; K438-D460 IonicContact NZ-OD2 3.57Å; K438-D460 PolarHBondContact NZ-OD2 2.62Å
461I94.9Very high95.2Very high4 Ų451.3 Ų51.32%0.02128%0.278CS..  trans-139.4101.8-175.6-55.2-179000107Y396 G401 M403 L430 F459 V466 V469Y396-I461 HydrophobicContact CE2-CB 4.43Å; Y396-I461 WeakPolarHBondContact CE2-O 3.24Å; Y396-I461 PolarHBondContact OH-O 3.4Å; G401-I461 CarbonylContact C-O 3.58Å; G401-I461 VanDerWaalsContact CA-O 3.24Å; G401-I461 WeakPolarHBondContact CA-O 3.33Å; G401-I461 CarbonylContact O-C 3.44Å; G401-I461 PolarHBondContact O-N 2.05Å; G401-I461 VanDerWaalsContact O-O 3.07Å; M403-I461 HydrophobicContact CB-CD1 3.63Å; M403-I461 HydrophobicContact CB-CG1 4.17Å; M403-I461 HydrophobicContact CE-CD1 4.43Å; M403-I461 HydrophobicContact CG-CD1 4.07Å; L430-I461 HydrophobicContact CD1-CD1 3.59Å; L430-I461 HydrophobicContact CD1-CG1 4.23Å; L430-I461 HydrophobicContact CD2-CD1 4.39Å; L430-I461 HydrophobicContact CD2-CG1 4.15Å; F459-I461 HydrophobicContact CB-CD1 4.13Å; F459-I461 HydrophobicContact CB-CG1 4.04Å; F459-I461 PolarHBondContact O-N 3.24Å; I461-V466 HydrophobicContact CG2-CG2 3.89Å; I461-V469 HydrophobicContact CD1-CG2 4.16Å; I461-V469 HydrophobicContact CG2-CG2 3.8Å
462P94.5Very high95.1Very high49 Ų4951.4 Ų51.432%0.31828%0.278SS..  trans-59.1146.7174.5-23.433.9000112E464 N465P462-E464 VanDerWaalsContact C-N 3.27Å; P462-E464 HydrophobicContact CB-CG 4.14Å; P462-E464 WeakPolarHBondContact CB-OE1 3.36Å; P462-E464 PolarHBondContact O-N 2.86Å; P462-N465 PolarHBondContact O-N 3.1Å
463P93.1Very high95Very high63 Ų6347.6 Ų47.641%0.40926%0.255SS..G310 helixtrans-50.6-43.7-177.5-29.436.3000114.1Y396 P398 N465 V466Y396-P463 WeakPolarHBondContact OH-CA 3.38Å; P398-P463 HydrophobicContact CB-CG 4.44Å; P398-P463 WeakPolarHBondContact O-CG 3.47Å; P463-N465 PolarHBondContact O-N 2.67Å; P463-N465 VanDerWaalsContact O-N 3.11Å; P463-V466 WeakPolarHBondContact O-CB 3.49Å; P463-V466 WeakPolarHBondContact O-CG2 3.42Å; P463-V466 PolarHBondContact O-N 3.45Å; P463-V466 VanDerWaalsContact O-N 3.1Å
464E92.4Very high94.9Very high136 Ų13647.2 Ų47.264%0.63625%0.254SS*.G310 helixtrans-60.3-18.1178.359-87.5-16200114.7P462P462-E464 VanDerWaalsContact C-N 3.27Å; P462-E464 HydrophobicContact CB-CG 4.14Å; P462-E464 WeakPolarHBondContact CB-OE1 3.36Å; P462-E464 PolarHBondContact O-N 2.86Å
465N92.1Very high94.9Very high61 Ų6142 Ų4233%0.32623%0.226SC..G310 helixtrans-101.8-8.8178.6-67.7-42.2000113.5P462 P463 E467 Q468 V469P462-N465 PolarHBondContact O-N 3.1Å; P463-N465 PolarHBondContact O-N 2.67Å; P463-N465 VanDerWaalsContact O-N 3.11Å; N465-E467 PolarHBondContact O-N 3.13Å; N465-Q468 PolarHBondContact O-N 3.07Å; N465-V469 WeakPolarHBondContact O-CG1 3.04Å; N465-V469 WeakPolarHBondContact O-CG2 3.16Å; N465-V469 PolarHBondContact O-N 3.05Å
466V91.8Very high94.8Very high8 Ų840.2 Ų40.25%0.04822%0.218CC..THydrogen-bonded Turntrans-59.7-33-172.9168.70000113Y396 I461 P463 Q468 W504 L508Y396-V466 HydrophobicContact CE1-CG2 3.74Å; Y396-V466 HydrophobicContact CE2-CG2 4.08Å; Y396-V466 VanDerWaalsContact CZ-CG2 3.48Å; Y396-V466 WeakPolarHBondContact OH-CG2 3.31Å; I461-V466 HydrophobicContact CG2-CG2 3.89Å; P463-V466 WeakPolarHBondContact O-CB 3.49Å; P463-V466 WeakPolarHBondContact O-CG2 3.42Å; P463-V466 PolarHBondContact O-N 3.45Å; P463-V466 VanDerWaalsContact O-N 3.1Å; V466-Q468 VanDerWaalsContact C-N 3.3Å; V466-Q468 PolarHBondContact O-N 3.36Å; V466-W504 HydrophobicContact CG1-CZ2 4.35Å; V466-L508 HydrophobicContact CG1-CD1 3.82Å; V466-L508 HydrophobicContact CG1-CD2 3.55Å; V466-L508 HydrophobicContact CG1-CG 4.33Å
467E90.1Very high94.7Very high165 Ų16537.1 Ų37.177%0.77119%0.192SC*.THydrogen-bonded Turntrans-81-8.3-179.4-60.3-176.7172.200113.6N465N465-E467 PolarHBondContact O-N 3.13Å
468Q90.7Very high94.5Very high98 Ų9841 Ų4146%0.45821%0.206SC..THydrogen-bonded Turntrans-111.1-5.5-177.8-57-173.331.800113.6C432 N433 N465 V466C432-Q468 WeakPolarHBondContact CA-O 3.12Å; N433-Q468 PolarHBondContact N-O 2.87Å; N433-Q468 PolarHBondContact ND2-OE1 3.02Å; N465-Q468 PolarHBondContact O-N 3.07Å; V466-Q468 VanDerWaalsContact C-N 3.3Å; V466-Q468 PolarHBondContact O-N 3.36Å
469V94.1Very high93.9Very high6 Ų639.1 Ų39.14%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-110.1148.5-176.1-63.10000112.8L430 V431 C432 I461 N465 P494 W504L430-V469 HydrophobicContact CD1-CB 3.91Å; L430-V469 HydrophobicContact CD1-CG1 4.29Å; L430-V469 HydrophobicContact CD1-CG2 4.34Å; V431-V469 CarbonylContact O-C 3.56Å; V431-V469 WeakPolarHBondContact O-CA 3.37Å; V431-V469 WeakPolarHBondContact O-CB 3.16Å; C432-V469 HydrophobicContact CB-CG1 3.95Å; I461-V469 HydrophobicContact CD1-CG2 4.16Å; I461-V469 HydrophobicContact CG2-CG2 3.8Å; N465-V469 WeakPolarHBondContact O-CG1 3.04Å; N465-V469 WeakPolarHBondContact O-CG2 3.16Å; N465-V469 PolarHBondContact O-N 3.05Å; V469-P494 WeakPolarHBondContact O-CD 3.3Å; V469-W504 HydrophobicContact CG2-CH2 4.15Å; V469-W504 HydrophobicContact CG2-CZ2 4.02Å
470S94.6Very high93.1Very high5 Ų547.4 Ų47.44%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-140.2160173.457.30000111.5V431 D495V431-S470 PolarHBondContact N-O 2.99Å; V431-S470 PolarHBondContact O-N 2.94Å; S470-D495 WeakPolarHBondContact CB-OD1 3.24Å; S470-D495 PolarHBondContact OG-OD1 3.29Å; S470-D495 PolarHBondContact OG-OD2 3.38Å; S470-D495 VanDerWaalsContact OG-OD2 3.08Å
471L95.7Very high92.1Very high0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-107.9116.6178.9-61.6180000109.1L394 L405 V428 Y429 L430 F459 I473 R491 A492 W504L394-L471 HydrophobicContact CD2-CD1 3.97Å; L405-L471 HydrophobicContact CB-CD1 4.46Å; L405-L471 HydrophobicContact CD1-CD1 3.74Å; V428-L471 HydrophobicContact CG1-CD2 4.44Å; Y429-L471 WeakPolarHBondContact O-CA 3.33Å; L430-L471 HydrophobicContact CB-CD2 4.37Å; L430-L471 HydrophobicContact CD1-CD2 3.8Å; F459-L471 HydrophobicContact CD2-CD2 4.03Å; F459-L471 HydrophobicContact CE2-CD2 3.9Å; L471-I473 HydrophobicContact CB-CG1 4.35Å; L471-R491 WeakPolarHBondContact O-CA 3.19Å; L471-A492 PolarHBondContact N-O 3.27Å; L471-A492 PolarHBondContact O-N 3.27Å; L471-W504 HydrophobicContact CD1-CZ3 3.93Å; L471-W504 HydrophobicContact CG-CZ3 3.96Å
472S94.9Very high91.2Very high3 Ų352.6 Ų52.62%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-92.9118.5166.9169.30000108.4V428 Y429 M474V428-S472 WeakPolarHBondContact CA-O 3.17Å; Y429-S472 PolarHBondContact N-O 2.98Å; Y429-S472 PolarHBondContact O-N 3.42Å; S472-M474 WeakPolarHBondContact OG-CE 3.26Å
473I96.8Very high90.5Very high0 Ų058.7 Ų58.70%030%0.298CS..EExtended strand (participates in β ladder)trans-117.1108.8-172-58.2161.8000107.1I390 Y392 L405 V426 V428 L471 V489 C490I390-I473 HydrophobicContact CD1-CG2 3.92Å; Y392-I473 HydrophobicContact CD1-CD1 4.27Å; Y392-I473 HydrophobicContact CD2-CD1 4.3Å; Y392-I473 HydrophobicContact CE1-CD1 3.78Å; Y392-I473 HydrophobicContact CE2-CD1 3.82Å; L405-I473 HydrophobicContact CD1-CD1 3.67Å; L405-I473 HydrophobicContact CD1-CG1 4.02Å; V426-I473 HydrophobicContact CG1-CG2 3.87Å; V428-I473 HydrophobicContact CG1-CG1 4.22Å; V428-I473 HydrophobicContact CG2-CG1 4.4Å; V428-I473 HydrophobicContact CG2-CG2 4.37Å; L471-I473 HydrophobicContact CB-CG1 4.35Å; I473-V489 WeakPolarHBondContact O-CA 3.34Å; I473-C490 PolarHBondContact N-O 2.96Å; I473-C490 PolarHBondContact O-N 3.49Å
474M96.4Very high90.2Very high5 Ų558.7 Ų58.73%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-107.8131.4179.5-55.2163-163.400109.8V426 K427 Y429 S472 M476 V489V426-M474 CarbonylContact C-O 3.55Å; V426-M474 WeakPolarHBondContact CA-O 3.32Å; K427-M474 HydrophobicContact CB-CB 4.42Å; K427-M474 HydrophobicContact CD-SD 4.1Å; K427-M474 PolarHBondContact N-O 3.07Å; K427-M474 PolarHBondContact O-N 3.24Å; Y429-M474 HydrophobicContact CD2-CE 3.71Å; Y429-M474 HydrophobicContact CD2-SD 4.31Å; Y429-M474 HydrophobicContact CE2-CE 3.69Å; Y429-M474 HydrophobicContact CE2-SD 3.96Å; S472-M474 WeakPolarHBondContact OG-CE 3.26Å; M474-M476 HydrophobicContact CB-CG 4.44Å; M474-M476 HydrophobicContact CB-SD 3.82Å; M474-M476 HydrophobicContact SD-SD 4.3Å; M474-V489 HydrophobicContact CG-CG1 4.11Å; M474-V489 HydrophobicContact CG-CG2 4.09Å
475V97.3Very high89.9Confident0 Ų056.9 Ų56.90%029%0.286CS..EExtended strand (participates in β ladder)trans-89.5129.1161.7-171.40000107.4I390 L413 P424 V426 I487 G488 L521I390-V475 HydrophobicContact CD1-CG2 4.13Å; L413-V475 HydrophobicContact CD1-CG1 3.94Å; L413-V475 HydrophobicContact CD2-CG1 4.04Å; P424-V475 HydrophobicContact CB-CG1 4.42Å; V426-V475 HydrophobicContact CG2-CG2 4.29Å; V475-I487 HydrophobicContact CB-CB 4.32Å; V475-I487 HydrophobicContact CG1-CB 4.17Å; V475-I487 HydrophobicContact CG1-CD1 4.22Å; V475-I487 HydrophobicContact CG1-CG2 4.42Å; V475-I487 PolarHBondContact O-N 2.96Å; V475-G488 PolarHBondContact N-O 2.99Å; V475-G488 PolarHBondContact O-N 3.08Å; V475-L521 HydrophobicContact CB-CD1 4.02Å; V475-L521 HydrophobicContact CG2-CD1 3.59Å; V475-L521 HydrophobicContact CG2-CD2 3.71Å; V475-L521 HydrophobicContact CG2-CG 4.32Å
476M95.9Very high89.8Confident3 Ų356 Ų562%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-123.2147.7-173.9-52.5-71.1-3600109.1P424 Y425 K427 M474 N484 E485 V486P424-M476 CarbonylContact C-O 3.46Å; P424-M476 WeakPolarHBondContact CA-O 3.28Å; Y425-M476 HydrophobicContact CD1-CB 3.91Å; Y425-M476 HydrophobicContact CD2-CB 4.28Å; Y425-M476 HydrophobicContact CD2-CG 4.36Å; Y425-M476 HydrophobicContact CE1-CB 3.44Å; Y425-M476 VanDerWaalsContact CE1-CB 3.44Å; Y425-M476 HydrophobicContact CE1-CG 4.26Å; Y425-M476 HydrophobicContact CE2-CB 3.84Å; Y425-M476 HydrophobicContact CE2-CG 3.75Å; Y425-M476 HydrophobicContact CG-CB 4.29Å; Y425-M476 PolarHBondContact N-O 3.1Å; Y425-M476 PolarHBondContact O-N 3.32Å; K427-M476 HydrophobicContact CB-CG 3.83Å; K427-M476 HydrophobicContact CB-SD 4.43Å; K427-M476 HydrophobicContact CD-CG 4.28Å; K427-M476 HydrophobicContact CD-SD 4.02Å; K427-M476 VanDerWaalsContact CE-SD 3.59Å; K427-M476 PolarHBondContact NZ-SD 3.44Å; M474-M476 HydrophobicContact CB-CG 4.44Å; M474-M476 HydrophobicContact CB-SD 3.82Å; M474-M476 HydrophobicContact SD-SD 4.3Å; M476-N484 VanDerWaalsContact CE-O 3.29Å; M476-N484 WeakPolarHBondContact CE-O 3.23Å; M476-E485 CarbonylContact C-O 3.54Å; M476-E485 WeakPolarHBondContact CA-O 3.35Å; M476-E485 WeakPolarHBondContact CE-O 3.26Å; M476-V486 HydrophobicContact CE-CB 4.27Å; M476-V486 HydrophobicContact CE-CG2 3.5Å; M476-V486 VanDerWaalsContact CE-CG2 3.5Å; M476-V486 HydrophobicContact SD-CG2 3.84Å
477D94.6Very high89.8Confident1 Ų155.7 Ų55.71%0.00528%0.281CS..  trans-84.9162.1160.7-144.2-28.7000111.1M416 S422 D423 Y425 N484 E485 I487M416-D477 HydrophobicContact CB-CB 4.44Å; M416-D477 WeakPolarHBondContact CB-OD2 3.45Å; M416-D477 HydrophobicContact CG-CB 4.3Å; S422-D477 VanDerWaalsContact CA-OD2 3.29Å; S422-D477 WeakPolarHBondContact CA-OD2 3.27Å; S422-D477 WeakPolarHBondContact CB-OD2 3.35Å; S422-D477 PolarHBondContact OG-OD2 2.89Å; D423-D477 WeakPolarHBondContact CA-OD1 3.37Å; D423-D477 PolarHBondContact N-OD1 3.49Å; Y425-D477 WeakPolarHBondContact CE1-O 3.44Å; D477-N484 VanDerWaalsContact O-CB 3.31Å; D477-N484 WeakPolarHBondContact O-CB 3.39Å; D477-E485 PolarHBondContact N-O 3.46Å; D477-I487 HydrophobicContact CB-CD1 4Å; D477-I487 HydrophobicContact CB-CG1 4.11Å
478Y93.7Very high89.8Confident91 Ų9147.9 Ų47.936%0.35725%0.245SC..  trans-123.594.6176.6172.7-112000112.3D423 T444 R480D423-Y478 HydrophobicContact CB-CD1 4.44Å; D423-Y478 VanDerWaalsContact O-CB 3.31Å; D423-Y478 WeakPolarHBondContact O-CB 3.29Å; D423-Y478 PolarHBondContact O-N 3.19Å; T444-Y478 HydrophobicContact CG2-CD1 4.12Å; T444-Y478 HydrophobicContact CG2-CG 4.18Å; Y478-R480 HydrophobicContact CE1-CG 4.19Å
479D86.1Confident89.9Confident41 Ų4144 Ų4422%0.21923%0.228CC..  trans-71.1131.8172.2-57.4-86.6000112.1V481 N484 E485D479-V481 VanDerWaalsContact C-N 3.32Å; D479-N484 VanDerWaalsContact OD2-CA 3.24Å; D479-N484 WeakPolarHBondContact OD2-CA 3.47Å; D479-N484 PolarHBondContact OD2-N 3.12Å; D479-E485 PolarHBondContact OD2-N 2.91Å
480R79.3Confident89.8Confident173 Ų17344.2 Ų44.265%0.65323%0.23SC*.SBendtrans-76.6-23.7170.3-58.4-175.7-164.3169.111.7112.5D423 Y478D423-R480 IonicContact OD2-NE 3.35Å; D423-R480 IonicContact OD2-NH2 2.64Å; Y478-R480 HydrophobicContact CE1-CG 4.19Å
481V76.1Confident89.6Confident141 Ų14147.8 Ų47.886%0.85524%0.242SC*.SBendtrans-144.993.9-177.6-1770000107.4D479D479-V481 VanDerWaalsContact C-N 3.32Å
482G76.2Confident89.6Confident56 Ų5647.8 Ų47.858%0.57724%0.242SC*.SBendtrans148.4-156.2-174.900000112.3
483H78.4Confident89.5Confident176 Ų17647.7 Ų47.782%0.81524%0.241SC*.  trans-120.1114.6175.2-69.3-73.8000110.1E485H483-E485 PolarHBondContact O-N 2.83Å
484N87.1Confident89.1Confident63 Ų6349.9 Ų49.934%0.33726%0.256SS..  trans-37.5101.9177.7-61.314.6000114.3Y425 M476 D477 D479Y425-N484 HydrophobicContact CE1-CB 4.48Å; Y425-N484 PolarHBondContact OH-ND2 3.49Å; Y425-N484 VanDerWaalsContact OH-ND2 3.11Å; M476-N484 VanDerWaalsContact CE-O 3.29Å; M476-N484 WeakPolarHBondContact CE-O 3.23Å; D477-N484 VanDerWaalsContact O-CB 3.31Å; D477-N484 WeakPolarHBondContact O-CB 3.39Å; D479-N484 VanDerWaalsContact OD2-CA 3.24Å; D479-N484 WeakPolarHBondContact OD2-CA 3.47Å; D479-N484 PolarHBondContact OD2-N 3.12Å
485E86.9Confident88.4Confident98 Ų9854.1 Ų54.146%0.45828%0.279SS..  trans-73.8153.2-176.4-59.7-161.6127.900113.6M416 M476 D477 D479 H483M416-E485 HydrophobicContact CE-CB 4.15Å; M416-E485 WeakPolarHBondContact CE-OE2 3.48Å; M476-E485 CarbonylContact C-O 3.54Å; M476-E485 WeakPolarHBondContact CA-O 3.35Å; M476-E485 WeakPolarHBondContact CE-O 3.26Å; D477-E485 PolarHBondContact N-O 3.46Å; D479-E485 PolarHBondContact OD2-N 2.91Å; H483-E485 PolarHBondContact O-N 2.83Å
486V90.1Very high87.7Confident43 Ų4354.6 Ų54.626%0.26128%0.282SS..EExtended strand (participates in β ladder)trans-84.7120.5174.7179.50000109.1M476 V489 E524M476-V486 HydrophobicContact CE-CB 4.27Å; M476-V486 HydrophobicContact CE-CG2 3.5Å; M476-V486 VanDerWaalsContact CE-CG2 3.5Å; M476-V486 HydrophobicContact SD-CG2 3.84Å; V486-V489 HydrophobicContact CG1-CG2 3.92Å; V486-E524 HydrophobicContact CG1-CB 4.39Å
487I90.1Very high86.8Confident2 Ų261.1 Ų61.11%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-77.1-42.1172.8-65174000109.5L387 L413 K414 M416 P424 V475 D477L387-I487 WeakPolarHBondContact CB-O 3.48Å; L387-I487 WeakPolarHBondContact CD1-O 3.45Å; L387-I487 WeakPolarHBondContact CD2-O 3.47Å; L413-I487 HydrophobicContact CB-CG2 4.29Å; L413-I487 HydrophobicContact CD2-CG2 4.21Å; K414-I487 HydrophobicContact CB-CG2 4.31Å; M416-I487 HydrophobicContact CG-CG1 3.9Å; P424-I487 HydrophobicContact CB-CD1 4.14Å; V475-I487 HydrophobicContact CB-CB 4.32Å; V475-I487 HydrophobicContact CG1-CB 4.17Å; V475-I487 HydrophobicContact CG1-CD1 4.22Å; V475-I487 HydrophobicContact CG1-CG2 4.42Å; V475-I487 PolarHBondContact O-N 2.96Å; D477-I487 HydrophobicContact CB-CD1 4Å; D477-I487 HydrophobicContact CB-CG1 4.11Å
488G90.9Very high86.3Confident1 Ų163 Ų631%0.0134%0.342CS..EExtended strand (participates in β ladder)trans172.1172.517400000113.6V475 G522V475-G488 PolarHBondContact N-O 2.99Å; V475-G488 PolarHBondContact O-N 3.08Å; G488-G522 CarbonylContact C-O 3.52Å; G488-G522 WeakPolarHBondContact CA-O 3.29Å
489V92.1Very high85.8Confident15 Ų1562.4 Ų62.49%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-132.1142.2-167.9-167.70000111.1I473 M474 V486 G522 E524I473-V489 WeakPolarHBondContact O-CA 3.34Å; M474-V489 HydrophobicContact CG-CG1 4.11Å; M474-V489 HydrophobicContact CG-CG2 4.09Å; V486-V489 HydrophobicContact CG1-CG2 3.92Å; V489-G522 PolarHBondContact N-O 3.39Å; V489-G522 PolarHBondContact O-N 2.96Å; V489-E524 HydrophobicContact CG2-CB 3.85Å; V489-E524 HydrophobicContact CG2-CG 4.28Å
490C91.9Very high85.8Confident12 Ų1260.6 Ų60.68%0.08134%0.335CS..EExtended strand (participates in β ladder)trans-134.1168.1161.167.40000111.2I390 I473 H519 L521I390-C490 VanDerWaalsContact CG2-SG 3.6Å; I473-C490 PolarHBondContact N-O 2.96Å; I473-C490 PolarHBondContact O-N 3.49Å; C490-H519 HydrophobicContact CB-CB 4.2Å; C490-L521 HydrophobicContact CB-CD2 4.46Å
491R91.9Very high86.3Confident80 Ų8058.6 Ų58.630%0.30233%0.328SS..EExtended strand (participates in β ladder)trans-132.9147.3-177.4-71.3-176.5166-162.3-11.2111.7L471 A496 G500 D528L471-R491 WeakPolarHBondContact O-CA 3.19Å; R491-A496 HydrophobicContact CB-CB 4.27Å; R491-G500 WeakPolarHBondContact O-CA 3.34Å; R491-D528 VanDerWaalsContact CZ-CG 3.41Å; R491-D528 IonicContact CZ-OD1 3.2Å; R491-D528 IonicContact CZ-OD2 2.73Å; R491-D528 IonicContact NE-OD2 2.68Å; R491-D528 IonicContact NH1-OD1 3.75Å; R491-D528 PolarHBondContact NH1-OD1 2.88Å; R491-D528 IonicContact NH1-OD2 2.68Å; R491-D528 IonicContact NH2-OD1 3.52Å; R491-D528 PolarHBondContact NH2-OD1 3.45Å; R491-D528 IonicContact NH2-OD2 2.73Å; R491-D528 PolarHBondContact NH2-OD2 3.47Å
492A93.9Very high87Confident0 Ų056.1 Ų56.10%031%0.31CS..EExtended strand (participates in β ladder)trans-136.3128.2167.700000110.5L394 L471 G500 W504L394-A492 HydrophobicContact CD1-CB 4.1Å; L471-A492 PolarHBondContact N-O 3.27Å; L471-A492 PolarHBondContact O-N 3.27Å; A492-G500 VanDerWaalsContact CA-O 3.28Å; A492-G500 WeakPolarHBondContact CA-O 3.38Å; A492-W504 HydrophobicContact CB-CE3 4.31Å
493G93.3Very high87.9Confident0 Ų053.4 Ų53.40%028%0.282CS..SBendtrans163.4175.8-175.200000113.3D495 A496G493-D495 PolarHBondContact O-N 3.27Å; G493-A496 WeakPolarHBondContact O-CB 3.42Å; G493-A496 PolarHBondContact O-N 3.45Å
494P88.7Confident88.7Confident46 Ų4645.1 Ų45.130%0.29924%0.244SC..THydrogen-bonded Turntrans-64.2-27.9177.7-20.934.4000113.5V469V469-P494 WeakPolarHBondContact O-CD 3.3Å
495D82.9Confident89.1Confident95 Ų9545.6 Ų45.651%0.50825%0.246SC..THydrogen-bonded Turntrans-92.7-0.9179.563.3-14.9000113.8S470 G493S470-D495 WeakPolarHBondContact CB-OD1 3.24Å; S470-D495 PolarHBondContact OG-OD1 3.29Å; S470-D495 PolarHBondContact OG-OD2 3.38Å; S470-D495 VanDerWaalsContact OG-OD2 3.08Å; G493-D495 PolarHBondContact O-N 3.27Å
496A82Confident89.5Confident9 Ų943.8 Ų43.87%0.07424%0.238CC..  trans-75.5162.1176.300000112R491 G493 R501R491-A496 HydrophobicContact CB-CB 4.27Å; G493-A496 WeakPolarHBondContact O-CB 3.42Å; G493-A496 PolarHBondContact O-N 3.45Å; A496-R501 HydrophobicContact CB-CB 4.21Å; A496-R501 WeakPolarHBondContact O-CB 3.32Å; A496-R501 WeakPolarHBondContact O-CD 3.32Å
497V76.8Confident89.8Confident140 Ų14041.8 Ų41.885%0.84823%0.225SC*.  trans-106.5143.9176.3-177.20000109.7
498G83.4Confident90.1Very high41 Ų4144.6 Ų44.642%0.42324%0.24SC..THydrogen-bonded Turntrans53.8-136.8178.100000113.7G500 R501 D502G498-G500 PolarHBondContact O-N 2.97Å; G498-R501 WeakPolarHBondContact O-CB 3.49Å; G498-R501 PolarHBondContact O-N 3.42Å; G498-D502 PolarHBondContact O-N 3.33Å
499L84.4Confident90.3Very high78 Ų7847.8 Ų47.841%0.40827%0.266SS..Hα-helixtrans-54.1-27.5-172.1-172.560.4000114.4R501 D502 H503 W518 H519L499-R501 VanDerWaalsContact C-N 3.31Å; L499-R501 PolarHBondContact O-N 2.98Å; L499-D502 PolarHBondContact O-N 3.33Å; L499-H503 VanDerWaalsContact O-CB 3.29Å; L499-H503 WeakPolarHBondContact O-CB 3.2Å; L499-H503 PolarHBondContact O-N 2.95Å; L499-W518 WeakPolarHBondContact CD2-O 3.32Å; L499-H519 PolarHBondContact O-NE2 2.78Å
500G85.8Confident90.5Very high3 Ų353 Ų533%0.03129%0.285CS..Hα-helixtrans-60.9-38.2173.300000113.6R491 A492 G498 H519R491-G500 WeakPolarHBondContact O-CA 3.34Å; A492-G500 VanDerWaalsContact CA-O 3.28Å; A492-G500 WeakPolarHBondContact CA-O 3.38Å; G498-G500 PolarHBondContact O-N 2.97Å; G500-H519 WeakPolarHBondContact CA-NE2 3.39Å; G500-H519 PolarHBondContact N-NE2 3.39Å
501R89.6Confident90.5Very high131 Ų13155 Ų5549%0.49430%0.298SS..Hα-helixtrans-81-37.8175.9-175.7173.8173.1-158.3-2.1111.3A496 G498 L499 W504 N505A496-R501 HydrophobicContact CB-CB 4.21Å; A496-R501 WeakPolarHBondContact O-CB 3.32Å; A496-R501 WeakPolarHBondContact O-CD 3.32Å; G498-R501 WeakPolarHBondContact O-CB 3.49Å; G498-R501 PolarHBondContact O-N 3.42Å; L499-R501 VanDerWaalsContact C-N 3.31Å; L499-R501 PolarHBondContact O-N 2.98Å; R501-W504 WeakPolarHBondContact O-CB 3.39Å; R501-W504 PolarHBondContact O-N 3.49Å; R501-N505 WeakPolarHBondContact O-CB 3.4Å; R501-N505 PolarHBondContact O-N 2.88Å; R501-N505 PolarHBondContact O-ND2 2.81Å
502D90.4Very high90.6Very high89 Ų8960 Ų6048%0.47632%0.317SS..Hα-helixtrans-66.3-41.5179.6-58.1-40.3000112.2G498 L499 W504 N505 E506G498-D502 PolarHBondContact O-N 3.33Å; L499-D502 PolarHBondContact O-N 3.33Å; D502-W504 VanDerWaalsContact C-N 3.31Å; D502-W504 PolarHBondContact O-N 3.31Å; D502-N505 PolarHBondContact O-N 3.29Å; D502-E506 WeakPolarHBondContact O-CB 3.3Å; D502-E506 PolarHBondContact O-N 2.88Å
503H94.6Very high90.7Very high0 Ų065 Ų650%034%0.338CS..Hα-helixtrans-61.6-38.3172.9-174-179000111.8Y392 L499 M507 H517 H519Y392-H503 AromaticContact CD2-CE1 3.72Å; Y392-H503 AromaticContact CE2-CE1 3.41Å; Y392-H503 VanDerWaalsContact CE2-CE1 3.41Å; Y392-H503 WeakPolarHBondContact CE2-CE1 3.39Å; Y392-H503 AromaticContact CE2-ND1 3.49Å; Y392-H503 WeakPolarHBondContact CE2-ND1 3.38Å; Y392-H503 AromaticContact CZ-ND1 3.73Å; Y392-H503 PolarHBondContact O-CE1 2.94Å; L499-H503 VanDerWaalsContact O-CB 3.29Å; L499-H503 WeakPolarHBondContact O-CB 3.2Å; L499-H503 PolarHBondContact O-N 2.95Å; H503-M507 WeakPolarHBondContact O-CB 3.34Å; H503-M507 PolarHBondContact O-N 2.9Å; H503-M507 VanDerWaalsContact O-N 3.08Å; H503-H517 AromaticContact CD2-CD2 3.65Å; H503-H517 AromaticContact CG-CD2 3.69Å; H503-H519 VanDerWaalsContact CB-NE2 3.3Å; H503-H519 WeakPolarHBondContact CB-NE2 3.34Å; H503-H519 AromaticContact CG-NE2 3.97Å; H503-H519 AromaticContact ND1-CD2 3.95Å; H503-H519 AromaticContact ND1-NE2 3.75Å
504W95.9Very high90.9Very high2 Ų268.8 Ų68.81%0.00836%0.363CS..Hα-helixtrans-66.6-45.3174.9-170.6-95.5000111.6L394 M403 V466 V469 L471 A492 R501 D502 M507 L508L394-W504 HydrophobicContact CD1-CE3 4.15Å; M403-W504 HydrophobicContact CE-CH2 3.69Å; M403-W504 HydrophobicContact CE-CZ2 4.25Å; M403-W504 HydrophobicContact CE-CZ3 3.95Å; V466-W504 HydrophobicContact CG1-CZ2 4.35Å; V469-W504 HydrophobicContact CG2-CH2 4.15Å; V469-W504 HydrophobicContact CG2-CZ2 4.02Å; L471-W504 HydrophobicContact CD1-CZ3 3.93Å; L471-W504 HydrophobicContact CG-CZ3 3.96Å; A492-W504 HydrophobicContact CB-CE3 4.31Å; R501-W504 WeakPolarHBondContact O-CB 3.39Å; R501-W504 PolarHBondContact O-N 3.49Å; D502-W504 VanDerWaalsContact C-N 3.31Å; D502-W504 PolarHBondContact O-N 3.31Å; W504-M507 HydrophobicContact CD2-CE 3.55Å; W504-M507 HydrophobicContact CE3-CE 3.66Å; W504-M507 HydrophobicContact CE3-SD 4.38Å; W504-M507 HydrophobicContact CG-CE 4.03Å; W504-M507 HydrophobicContact CH2-CE 4.35Å; W504-M507 HydrophobicContact CZ2-CE 4.24Å; W504-M507 HydrophobicContact CZ3-CE 4.06Å; W504-M507 WeakPolarHBondContact O-CB 3.36Å; W504-M507 WeakPolarHBondContact O-CE 3.21Å; W504-M507 PolarHBondContact O-N 3.24Å; W504-L508 WeakPolarHBondContact O-CG 3.44Å; W504-L508 PolarHBondContact O-N 3.41Å; W504-L508 VanDerWaalsContact O-N 3.1Å
505N95.3Very high91.4Very high72 Ų7266.9 Ų66.939%0.38535%0.35SS..Hα-helixtrans-62.4-44176.7-65.9-23.6000111.9R501 D502 M507 L508 A509R501-N505 WeakPolarHBondContact O-CB 3.4Å; R501-N505 PolarHBondContact O-N 2.88Å; R501-N505 PolarHBondContact O-ND2 2.81Å; D502-N505 PolarHBondContact O-N 3.29Å; N505-M507 PolarHBondContact O-N 2.89Å; N505-L508 PolarHBondContact O-N 3.4Å; N505-A509 WeakPolarHBondContact O-CB 3.34Å; N505-A509 PolarHBondContact O-N 2.82Å
506E95.3Very high92.1Very high61 Ų6165.3 Ų65.329%0.28535%0.345SS..Hα-helixtrans-63-41.8178-170.5-173.717100111.5D502 L508 A509 Y510 I515 H517D502-E506 WeakPolarHBondContact O-CB 3.3Å; D502-E506 PolarHBondContact O-N 2.88Å; E506-L508 VanDerWaalsContact C-N 3.31Å; E506-L508 PolarHBondContact O-N 3.49Å; E506-A509 PolarHBondContact O-N 3.5Å; E506-Y510 HydrophobicContact CG-CD2 3.74Å; E506-Y510 HydrophobicContact CG-CE2 3.91Å; E506-Y510 WeakPolarHBondContact O-CD2 3.32Å; E506-Y510 PolarHBondContact O-N 3.34Å; E506-I515 HydrophobicContact CB-CG2 4.23Å; E506-I515 VanDerWaalsContact CD-CG2 3.42Å; E506-I515 HydrophobicContact CG-CD1 4.01Å; E506-I515 HydrophobicContact CG-CG1 4.03Å; E506-I515 HydrophobicContact CG-CG2 3.97Å; E506-I515 VanDerWaalsContact OE2-CG2 3.27Å; E506-I515 WeakPolarHBondContact OE2-CG2 3.25Å; E506-H517 IonicContact OE2-CD2 3.73Å; E506-H517 IonicContact OE2-CE1 3.72Å; E506-H517 IonicContact OE2-NE2 2.79Å; E506-H517 PolarHBondContact OE2-NE2 3.32Å
507M96.8Very high92.5Very high0 Ų067.7 Ų67.70%035%0.354CS..Hα-helixtrans-59.3-39.7174.1170.5-154.366.600112.2L394 M403 H503 W504 N505 Y510 I515L394-M507 HydrophobicContact CB-CB 4.14Å; L394-M507 HydrophobicContact CB-CG 3.9Å; L394-M507 HydrophobicContact CB-SD 3.57Å; L394-M507 VanDerWaalsContact CB-SD 3.57Å; L394-M507 HydrophobicContact CD1-SD 4.05Å; L394-M507 HydrophobicContact CG-SD 4.34Å; M403-M507 HydrophobicContact CE-CE 3.47Å; M403-M507 VanDerWaalsContact CE-CE 3.47Å; M403-M507 HydrophobicContact CE-SD 3.45Å; M403-M507 WeakPolarHBondContact CE-SD 3.12Å; M403-M507 HydrophobicContact SD-CE 4.21Å; M403-M507 HydrophobicContact SD-SD 3.32Å; H503-M507 WeakPolarHBondContact O-CB 3.34Å; H503-M507 PolarHBondContact O-N 2.9Å; H503-M507 VanDerWaalsContact O-N 3.08Å; W504-M507 HydrophobicContact CD2-CE 3.55Å; W504-M507 HydrophobicContact CE3-CE 3.66Å; W504-M507 HydrophobicContact CE3-SD 4.38Å; W504-M507 HydrophobicContact CG-CE 4.03Å; W504-M507 HydrophobicContact CH2-CE 4.35Å; W504-M507 HydrophobicContact CZ2-CE 4.24Å; W504-M507 HydrophobicContact CZ3-CE 4.06Å; W504-M507 WeakPolarHBondContact O-CB 3.36Å; W504-M507 WeakPolarHBondContact O-CE 3.21Å; W504-M507 PolarHBondContact O-N 3.24Å; N505-M507 PolarHBondContact O-N 2.89Å; M507-Y510 CarbonylContact O-C 3.57Å; M507-I515 HydrophobicContact CB-CG1 4.39Å
508L95.5Very high93.2Very high62 Ų6264.1 Ų64.133%0.32533%0.325SS..Hα-helixtrans-74.2-32.8177-65.6179.9000112.8Y396 V466 W504 N505 E506 Y510Y396-L508 HydrophobicContact CD1-CD2 4.06Å; V466-L508 HydrophobicContact CG1-CD1 3.82Å; V466-L508 HydrophobicContact CG1-CD2 3.55Å; V466-L508 HydrophobicContact CG1-CG 4.33Å; W504-L508 WeakPolarHBondContact O-CG 3.44Å; W504-L508 PolarHBondContact O-N 3.41Å; W504-L508 VanDerWaalsContact O-N 3.1Å; N505-L508 PolarHBondContact O-N 3.4Å; E506-L508 VanDerWaalsContact C-N 3.31Å; E506-L508 PolarHBondContact O-N 3.49Å; L508-Y510 VanDerWaalsContact C-N 3.33Å
509A96.4Very high93.5Very high67 Ų6762.9 Ų62.955%0.55431%0.308SS*.Hα-helixtrans-69-29.6174.600000112.9N505 E506 P511N505-A509 WeakPolarHBondContact O-CB 3.34Å; N505-A509 PolarHBondContact O-N 2.82Å; E506-A509 PolarHBondContact O-N 3.5Å; A509-P511 VanDerWaalsContact C-CD 3.42Å; A509-P511 VanDerWaalsContact O-CD 3.31Å; A509-P511 WeakPolarHBondContact O-CD 3.1Å
510Y95.6Very high93.5Very high126 Ų12662.6 Ų62.649%0.49432%0.317SS..SBendtrans-119.764.8179.8-57.9-66.1000112.7E506 M507 L508 R512 K513 I515E506-Y510 HydrophobicContact CG-CD2 3.74Å; E506-Y510 HydrophobicContact CG-CE2 3.91Å; E506-Y510 WeakPolarHBondContact O-CD2 3.32Å; E506-Y510 PolarHBondContact O-N 3.34Å; M507-Y510 CarbonylContact O-C 3.57Å; L508-Y510 VanDerWaalsContact C-N 3.33Å; Y510-R512 PolarHBondContact O-N 2.9Å; Y510-K513 HydrophobicContact CG-CD 4.3Å; Y510-K513 VanDerWaalsContact O-CB 3.29Å; Y510-K513 WeakPolarHBondContact O-CB 3.28Å; Y510-K513 PolarHBondContact O-N 3.35Å; Y510-I515 HydrophobicContact CD2-CD1 4.14Å
511P93Very high93.7Very high53 Ų5362.9 Ų62.934%0.34432%0.318SS..THydrogen-bonded Turntrans-61.4140.1-176.427.1-35000111.7P398 A509 K513P398-P511 HydrophobicContact CG-CB 4.09Å; A509-P511 VanDerWaalsContact C-CD 3.42Å; A509-P511 VanDerWaalsContact O-CD 3.31Å; A509-P511 WeakPolarHBondContact O-CD 3.1Å; P511-K513 PolarHBondContact O-N 2.84Å
512R93.9Very high93.4Very high186 Ų18657.9 Ų57.970%0.70231%0.307SS*.THydrogen-bonded Turntrans71.7-4.6-171.8-47.8168.6-69.9-173.7-1.6115.7C395 Y396 L397 Y510C395-R512 VanDerWaalsContact SG-C 3.55Å; Y396-R512 PolarHBondContact O-N 2.85Å; L397-R512 HydrophobicContact CD1-CG 3.71Å; Y510-R512 PolarHBondContact O-N 2.9Å
513K96.1Very high92.9Very high103 Ų10357.4 Ų57.445%0.44830%0.302SS..SBendtrans-91.1128.6170.6-174.8-170.4167.4-154.30108.9Y510 P511 I515Y510-K513 HydrophobicContact CG-CD 4.3Å; Y510-K513 VanDerWaalsContact O-CB 3.29Å; Y510-K513 WeakPolarHBondContact O-CB 3.28Å; Y510-K513 PolarHBondContact O-N 3.35Å; P511-K513 PolarHBondContact O-N 2.84Å; K513-I515 HydrophobicContact CD-CD1 3.71Å; K513-I515 HydrophobicContact CG-CD1 4.09Å; K513-I515 PolarHBondContact O-N 2.82Å
514P97.3Very high91.7Very high81 Ų8161.7 Ų61.753%0.52632%0.322SS..  trans-69.4113.3167.127.8-31.3000109.8S393 C395S393-P514 WeakPolarHBondContact OG-CB 3.47Å; C395-P514 HydrophobicContact CB-CB 4.36Å
515I97.8Very high89.8Confident5 Ų566.2 Ų66.23%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-86.3146.3166.8-55-50.8000107.8S393 L394 E506 M507 Y510 K513S393-I515 CarbonylContact C-O 3.48Å; S393-I515 WeakPolarHBondContact CA-O 3.16Å; S393-I515 WeakPolarHBondContact CB-O 3.4Å; S393-I515 PolarHBondContact OG-O 3.27Å; L394-I515 PolarHBondContact N-O 2.92Å; L394-I515 PolarHBondContact O-N 2.86Å; E506-I515 HydrophobicContact CB-CG2 4.23Å; E506-I515 VanDerWaalsContact CD-CG2 3.42Å; E506-I515 HydrophobicContact CG-CD1 4.01Å; E506-I515 HydrophobicContact CG-CG1 4.03Å; E506-I515 HydrophobicContact CG-CG2 3.97Å; E506-I515 VanDerWaalsContact OE2-CG2 3.27Å; E506-I515 WeakPolarHBondContact OE2-CG2 3.25Å; M507-I515 HydrophobicContact CB-CG1 4.39Å; Y510-I515 HydrophobicContact CD2-CD1 4.14Å; K513-I515 HydrophobicContact CD-CD1 3.71Å; K513-I515 HydrophobicContact CG-CD1 4.09Å; K513-I515 PolarHBondContact O-N 2.82Å
516T97.4Very high87.1Confident63 Ų6366.6 Ų66.639%0.38736%0.36SS..EExtended strand (participates in β ladder)trans-141.9125.7-176.9-57.40000110.4M391 S393 I408M391-T516 HydrophobicContact CE-CG2 4.36Å; M391-T516 HydrophobicContact CG-CG2 4.07Å; M391-T516 HydrophobicContact SD-CG2 4.46Å; S393-T516 WeakPolarHBondContact CB-OG1 3.24Å; S393-T516 PolarHBondContact OG-OG1 3.23Å; I408-T516 HydrophobicContact CD1-CG2 3.57Å
517H91.8Very high84.6Confident58 Ų5865 Ų6527%0.26936%0.36SS..EExtended strand (participates in β ladder)trans-136.2159.6177.7-75.7-66.6000111.9M391 Y392 H503 E506M391-H517 WeakPolarHBondContact CA-O 3.28Å; Y392-H517 PolarHBondContact N-O 3.45Å; Y392-H517 PolarHBondContact O-N 2.79Å; H503-H517 AromaticContact CD2-CD2 3.65Å; H503-H517 AromaticContact CG-CD2 3.69Å; E506-H517 IonicContact OE2-CD2 3.73Å; E506-H517 IonicContact OE2-CE1 3.72Å; E506-H517 IonicContact OE2-NE2 2.79Å; E506-H517 PolarHBondContact OE2-NE2 3.32Å
518W91.8Very high82Confident66 Ų6667.6 Ų67.625%0.2537%0.374CS..EExtended strand (participates in β ladder)trans-87.5141.2163.4-75.398.6000109.4E389 M391 K409 R411 L499E389-W518 HydrophobicContact CB-CE3 3.78Å; E389-W518 HydrophobicContact CB-CZ3 4.16Å; M391-W518 HydrophobicContact CB-CD2 3.75Å; M391-W518 HydrophobicContact CB-CE3 3.65Å; M391-W518 HydrophobicContact CB-CG 4.45Å; M391-W518 HydrophobicContact CB-CH2 3.98Å; M391-W518 HydrophobicContact CB-CZ2 4.07Å; M391-W518 HydrophobicContact CB-CZ3 3.75Å; M391-W518 HydrophobicContact CG-CD2 3.89Å; M391-W518 HydrophobicContact CG-CE3 4.32Å; M391-W518 HydrophobicContact CG-CG 4.19Å; M391-W518 HydrophobicContact CG-CZ2 4.3Å; M391-W518 HydrophobicContact SD-CD2 4.19Å; M391-W518 VanDerWaalsContact SD-CE2 3.51Å; M391-W518 HydrophobicContact SD-CH2 4.47Å; M391-W518 HydrophobicContact SD-CZ2 3.71Å; K409-W518 HydrophobicContact CD-CH2 4.28Å; K409-W518 VanDerWaalsContact CE-CZ2 3.47Å; K409-W518 HydrophobicContact CG-CH2 4Å; R411-W518 HydrophobicContact CB-CH2 4.09Å; R411-W518 HydrophobicContact CB-CZ3 4.21Å; R411-W518 HydrophobicContact CG-CE3 4.42Å; R411-W518 HydrophobicContact CG-CH2 3.75Å; R411-W518 HydrophobicContact CG-CZ3 3.6Å; L499-W518 WeakPolarHBondContact CD2-O 3.32Å
519H88.3Confident79.2Confident14 Ų1468.9 Ų68.97%0.06539%0.387CS..EExtended strand (participates in β ladder)trans-129.5130.4173.4-68.6-105.9000109E389 I390 Y392 C490 L499 G500 H503E389-H519 CarbonylContact C-O 3.56Å; E389-H519 VanDerWaalsContact CA-O 3.32Å; E389-H519 WeakPolarHBondContact CA-O 3.34Å; I390-H519 HydrophobicContact CG2-CB 4.18Å; I390-H519 PolarHBondContact N-O 3.28Å; I390-H519 PolarHBondContact O-N 2.79Å; Y392-H519 HydrophobicContact CE1-CB 3.99Å; Y392-H519 AromaticContact CE1-CD2 3.24Å; Y392-H519 WeakPolarHBondContact CE1-CD2 3.37Å; Y392-H519 AromaticContact CE1-CG 3.56Å; Y392-H519 AromaticContact CZ-CD2 3.48Å; Y392-H519 VanDerWaalsContact CZ-CD2 3.48Å; Y392-H519 AromaticContact CZ-CG 3.91Å; Y392-H519 PolarHBondContact OH-CD2 2.91Å; Y392-H519 PolarHBondContact OH-ND1 3.28Å; C490-H519 HydrophobicContact CB-CB 4.2Å; L499-H519 PolarHBondContact O-NE2 2.78Å; G500-H519 WeakPolarHBondContact CA-NE2 3.39Å; G500-H519 PolarHBondContact N-NE2 3.39Å; H503-H519 VanDerWaalsContact CB-NE2 3.3Å; H503-H519 WeakPolarHBondContact CB-NE2 3.34Å; H503-H519 AromaticContact CG-NE2 3.97Å; H503-H519 AromaticContact ND1-CD2 3.95Å; H503-H519 AromaticContact ND1-NE2 3.75Å
520A85.8Confident76.4Confident72 Ų7270 Ų7060%0.59538%0.383SS*.EExtended strand (participates in β ladder)trans-64.9151166.800000110.3
521L89.6Confident73.7Confident9 Ų972 Ų725%0.04739%0.394CS..PPolyproline II helixtrans-99.1125.1175.2-61.1171000109.1L387 G388 I390 L413 V475 C490L387-L521 HydrophobicContact CB-CB 3.86Å; G388-L521 WeakPolarHBondContact O-CB 3.18Å; G388-L521 WeakPolarHBondContact O-CG 3.28Å; G388-L521 PolarHBondContact O-N 3.19Å; I390-L521 HydrophobicContact CB-CD2 4.3Å; I390-L521 HydrophobicContact CG2-CD2 3.71Å; I390-L521 HydrophobicContact CG2-CG 4.46Å; L413-L521 HydrophobicContact CD2-CD1 3.59Å; V475-L521 HydrophobicContact CB-CD1 4.02Å; V475-L521 HydrophobicContact CG2-CD1 3.59Å; V475-L521 HydrophobicContact CG2-CD2 3.71Å; V475-L521 HydrophobicContact CG2-CG 4.32Å; C490-L521 HydrophobicContact CB-CD2 4.46Å
522G83.8Confident71.3Confident26 Ų2671 Ų7127%0.26839%0.388SS..BIsolated β-bridgetrans-101.5172.1170.300000112L387 G488 V489L387-G522 WeakPolarHBondContact CD1-O 3.4Å; G488-G522 CarbonylContact C-O 3.52Å; G488-G522 WeakPolarHBondContact CA-O 3.29Å; V489-G522 PolarHBondContact N-O 3.39Å; V489-G522 PolarHBondContact O-N 2.96Å
523E79Confident68.7Low79 Ų7966.4 Ų66.437%0.36938%0.381SS..PPolyproline II helixtrans-70.2157.2179.5-62.3-166.9131.100112.8T382 I385 L387 N525T382-E523 HydrophobicContact CG2-CB 4.02Å; T382-E523 HydrophobicContact CG2-CG 4.16Å; T382-E523 WeakPolarHBondContact CG2-OE2 3.45Å; I385-E523 WeakPolarHBondContact CD1-OE1 3.44Å; L387-E523 HydrophobicContact CD1-CG 3.88Å; E523-N525 VanDerWaalsContact C-N 3.32Å; E523-N525 PolarHBondContact O-N 3.03Å
524E70.1Confident66Low91 Ų9163.8 Ų63.843%0.42538%0.378SS..  trans-75.583.9174.4-169.3172.8-153.900110.4R436 V486 V489 A526R436-E524 IonicContact NH2-OE1 2.63Å; V486-E524 HydrophobicContact CG1-CB 4.39Å; V489-E524 HydrophobicContact CG2-CB 3.85Å; V489-E524 HydrophobicContact CG2-CG 4.28Å; E524-A526 PolarHBondContact O-N 2.99Å; E524-A526 VanDerWaalsContact O-N 3.08Å
525N54.4Low63.2Low97 Ų9766.8 Ų66.852%0.51938%0.383SS..  trans-60.6108.8175.7-83.1-40.8000111.8E523 G527 D528E523-N525 VanDerWaalsContact C-N 3.32Å; E523-N525 PolarHBondContact O-N 3.03Å; N525-G527 PolarHBondContact O-N 3.2Å; N525-D528 WeakPolarHBondContact O-CB 3.13Å; N525-D528 PolarHBondContact O-N 3.08Å
526A39.9Very low60.6Low80 Ų8069.8 Ų69.866%0.66140%0.399SS*.THydrogen-bonded Turntrans-56.1-19.8177.700000114.2E524 D528 C529E524-A526 PolarHBondContact O-N 2.99Å; E524-A526 VanDerWaalsContact O-N 3.08Å; A526-D528 PolarHBondContact O-N 3.43Å; A526-D528 VanDerWaalsContact O-N 3.08Å; A526-C529 PolarHBondContact O-N 3.5Å; A526-C529 VanDerWaalsContact O-N 3.12Å
527G42Very low57.9Low28 Ų2872.3 Ų72.329%0.28941%0.405SS..Hα-helixtrans-56.2-17.9171.100000114.9N525 C529 I530 F531N525-G527 PolarHBondContact O-N 3.2Å; G527-C529 VanDerWaalsContact C-N 3.25Å; G527-C529 PolarHBondContact O-N 2.87Å; G527-I530 WeakPolarHBondContact O-CA 3.33Å; G527-I530 WeakPolarHBondContact O-CB 3.33Å; G527-I530 PolarHBondContact O-N 2.78Å; G527-F531 PolarHBondContact O-N 2.91Å
528D42.8Very low55.5Low54 Ų5479.6 Ų79.629%0.28943%0.431SS..Hα-helixtrans-61-30.4172.9-87.6-34.8000114R491 N525 A526R491-D528 VanDerWaalsContact CZ-CG 3.41Å; R491-D528 IonicContact CZ-OD1 3.2Å; R491-D528 IonicContact CZ-OD2 2.73Å; R491-D528 IonicContact NE-OD2 2.68Å; R491-D528 IonicContact NH1-OD1 3.75Å; R491-D528 PolarHBondContact NH1-OD1 2.88Å; R491-D528 IonicContact NH1-OD2 2.68Å; R491-D528 IonicContact NH2-OD1 3.52Å; R491-D528 PolarHBondContact NH2-OD1 3.45Å; R491-D528 IonicContact NH2-OD2 2.73Å; R491-D528 PolarHBondContact NH2-OD2 3.47Å; N525-D528 WeakPolarHBondContact O-CB 3.13Å; N525-D528 PolarHBondContact O-N 3.08Å; A526-D528 PolarHBondContact O-N 3.43Å; A526-D528 VanDerWaalsContact O-N 3.08Å
529C36.8Very low53Low89 Ų8981.8 Ų81.860%0.60145%0.452SS*.Hα-helixtrans-71.8-41.8168.8-71.30000110.8A526 G527 S532 V533A526-C529 PolarHBondContact O-N 3.5Å; A526-C529 VanDerWaalsContact O-N 3.12Å; G527-C529 VanDerWaalsContact C-N 3.25Å; G527-C529 PolarHBondContact O-N 2.87Å; C529-S532 PolarHBondContact O-N 3.36Å; C529-V533 WeakPolarHBondContact O-CG2 3.34Å; C529-V533 PolarHBondContact O-N 2.83Å
530I37.5Very low50.5Low91 Ų9187 Ų8747%0.46748%0.48SS..Hα-helixtrans-64.2-44.8-175.2-54.8179.7000111.2G527 S532 V533 A534G527-I530 WeakPolarHBondContact O-CA 3.33Å; G527-I530 WeakPolarHBondContact O-CB 3.33Å; G527-I530 PolarHBondContact O-N 2.78Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 2.9Å; I530-V533 PolarHBondContact O-N 2.82Å; I530-A534 WeakPolarHBondContact O-CB 3.26Å; I530-A534 PolarHBondContact O-N 3.49Å
531F39.1Very low48.3Very low166 Ų16691.7 Ų91.773%0.72850%0.501SS*.Hα-helixtrans-61.2-37.5174.8-87.3-77.9000112.5G527 K535G527-F531 PolarHBondContact O-N 2.91Å; F531-K535 VanDerWaalsContact O-CB 3.24Å; F531-K535 WeakPolarHBondContact O-CB 3.29Å; F531-K535 PolarHBondContact O-N 3.49Å; F531-K535 VanDerWaalsContact O-N 3.1Å
532S41.6Very low46.3Very low32 Ų3295.8 Ų95.822%0.22452%0.523CS..Hα-helixtrans-70.5-30.7176.6-165.70000113C529 I530 L536C529-S532 PolarHBondContact O-N 3.36Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 2.9Å; S532-L536 PolarHBondContact O-N 3.27Å
533V40.5Very low44.3Very low91 Ų9199.5 Ų99.555%0.55254%0.537SS*.Hα-helixtrans-77.5-46.5175.8172.10000111.3C529 I530 K535 L536 F537C529-V533 WeakPolarHBondContact O-CG2 3.34Å; C529-V533 PolarHBondContact O-N 2.83Å; I530-V533 PolarHBondContact O-N 2.82Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 3.36Å; V533-L536 WeakPolarHBondContact O-CA 3.39Å; V533-L536 VanDerWaalsContact O-CB 3.31Å; V533-L536 WeakPolarHBondContact O-CB 3.41Å; V533-L536 PolarHBondContact O-N 2.82Å; V533-L536 VanDerWaalsContact O-N 3.09Å; V533-F537 PolarHBondContact O-N 2.89Å
534A39.4Very low42.3Very low47 Ų47100.6 Ų100.639%0.38855%0.546SS..Hα-helixtrans-61.4-39.417900000112.1I530 L536 F537 Y538I530-A534 WeakPolarHBondContact O-CB 3.26Å; I530-A534 PolarHBondContact O-N 3.49Å; A534-L536 VanDerWaalsContact C-N 3.33Å; A534-F537 WeakPolarHBondContact O-CB 3.17Å; A534-F537 PolarHBondContact O-N 3.4Å; A534-Y538 PolarHBondContact O-N 3.33Å
535K38.1Very low40.7Very low145 Ų145101.2 Ų101.263%0.6355%0.553SS**Hα-helixtrans-69.3-30.3175.6-158.4170.9-171.9178.30112.3F531 V533 T539F531-K535 VanDerWaalsContact O-CB 3.24Å; F531-K535 WeakPolarHBondContact O-CB 3.29Å; F531-K535 PolarHBondContact O-N 3.49Å; F531-K535 VanDerWaalsContact O-N 3.1Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 3.36Å; K535-T539 PolarHBondContact O-N 3.45Å; K535-T539 PolarHBondContact O-OG1 3.07Å
536L43.3Very low39.9Very low68 Ų68101.4 Ų101.436%0.35656%0.555SS.*Hα-helixtrans-66.5-45.3169.2-12482.8000111.5S532 V533 A534 Y538 T539 L540S532-L536 PolarHBondContact O-N 3.27Å; V533-L536 WeakPolarHBondContact O-CA 3.39Å; V533-L536 VanDerWaalsContact O-CB 3.31Å; V533-L536 WeakPolarHBondContact O-CB 3.41Å; V533-L536 PolarHBondContact O-N 2.82Å; V533-L536 VanDerWaalsContact O-N 3.09Å; A534-L536 VanDerWaalsContact C-N 3.33Å; L536-Y538 VanDerWaalsContact C-N 3.33Å; L536-Y538 PolarHBondContact O-N 2.84Å; L536-T539 CarbonylContact O-C 3.49Å; L536-T539 WeakPolarHBondContact O-CA 3.37Å; L536-T539 WeakPolarHBondContact O-CB 3.21Å; L536-T539 PolarHBondContact O-N 3.21Å; L536-L540 WeakPolarHBondContact O-CG 3.34Å; L536-L540 PolarHBondContact O-N 3.02Å
537F41.3Very low39.9Very low116 Ų116102.9 Ų102.951%0.50955%0.548SS..Hα-helixtrans-58.3-44.4178.6-122.2-85.6000111.8V37 V533 A534 T539 L540 V541V37-F537 HydrophobicContact CG2-CE2 3.98Å; V37-F537 HydrophobicContact CG2-CZ 3.76Å; V533-F537 PolarHBondContact O-N 2.89Å; A534-F537 WeakPolarHBondContact O-CB 3.17Å; A534-F537 PolarHBondContact O-N 3.4Å; F537-T539 PolarHBondContact O-N 3.41Å; F537-T539 VanDerWaalsContact O-N 3.14Å; F537-L540 PolarHBondContact O-N 2.94Å; F537-L540 VanDerWaalsContact O-N 3.13Å; F537-V541 PolarHBondContact O-N 2.83Å
538Y40.6Very low39.7Very low210 Ų210108.2 Ų108.282%0.82457%0.567SS**THydrogen-bonded Turntrans-67.9-2.1173.1-97.5-78.6000115.2A534 L536A534-Y538 PolarHBondContact O-N 3.33Å; L536-Y538 VanDerWaalsContact C-N 3.33Å; L536-Y538 PolarHBondContact O-N 2.84Å
539T39Very low39.5Very low113 Ų113112.4 Ų112.469%0.69359%0.588SS**THydrogen-bonded Turntrans-113.6-1.7175.1-46.20000111.7K535 L536 F537K535-T539 PolarHBondContact O-N 3.45Å; K535-T539 PolarHBondContact O-OG1 3.07Å; L536-T539 CarbonylContact O-C 3.49Å; L536-T539 WeakPolarHBondContact O-CA 3.37Å; L536-T539 WeakPolarHBondContact O-CB 3.21Å; L536-T539 PolarHBondContact O-N 3.21Å; F537-T539 PolarHBondContact O-N 3.41Å; F537-T539 VanDerWaalsContact O-N 3.14Å
540L37Very low39.7Very low122 Ų122114.3 Ų114.364%0.63959%0.587SS**THydrogen-bonded Turntrans-115-2.2-178.7-72.6168.5000113.3L536 F537L536-L540 WeakPolarHBondContact O-CG 3.34Å; L536-L540 PolarHBondContact O-N 3.02Å; F537-L540 PolarHBondContact O-N 2.94Å; F537-L540 VanDerWaalsContact O-N 3.13Å
541V38.9Very low39.9Very low171 Ų171116.5 Ų116.5100%1.03660%0.598SS**  trans-118.10174.7-179.60000108.7F537F537-V541 PolarHBondContact O-N 2.83Å

Retrieved 541 of 541 residues in 323 ms (Link to these results)