A0A087X8H4_POEFO Loading...

Hydroxysteroid dehydrogenase like 1

AlphaFold DB , UniProt , Accession A0A087X8H4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1M50.8Low63.3Low234 Ų234112.1 Ų112.1100%1.15365%0.65SS**  024.40-143.8-177.1-67.500112.7
2A53.8Low64.4Low75 Ų75115.1 Ų115.162%0.6264%0.644SS**  trans-109.8-23.8-176.300000114.3
3A55.3Low65.2Low86 Ų86118.5 Ų118.571%0.71164%0.641SS**Hα-helixtrans-76.5-22.3-176.300000115
4A54.8Low65.8Low79 Ų79120.5 Ų120.565%0.65364%0.644SS**Hα-helixtrans-78.9-25.1-178.500000113.2
5V55.8Low66.1Low100 Ų100118.7 Ų118.761%0.60663%0.633SS**Hα-helixtrans-76.7-37-178.5-176.80000110.9S7 F8 H9V5-S7 PolarHBondContact O-N 3.4Å; V5-F8 PolarHBondContact O-N 3.11Å; V5-H9 PolarHBondContact O-N 3.14Å
6D60.4Low66.2Low110 Ų110114.8 Ų114.859%0.58862%0.618SS**Hα-helixtrans-67.2-34.9176.6-76.7-27.6000112.8F8 H9 L10D6-F8 PolarHBondContact O-N 2.99Å; D6-H9 PolarHBondContact O-N 3.3Å; D6-L10 WeakPolarHBondContact O-CB 3.22Å; D6-L10 WeakPolarHBondContact O-CG 3.3Å; D6-L10 PolarHBondContact O-N 3.03Å
7S67.4Low66.4Low79 Ų79119.9 Ų119.955%0.55263%0.627SS**Hα-helixtrans-65.9-36.6176.9-175.20000112.5V5 L11V5-S7 PolarHBondContact O-N 3.4Å; S7-L11 VanDerWaalsContact O-CB 3.3Å; S7-L11 WeakPolarHBondContact O-CB 3.32Å; S7-L11 PolarHBondContact O-N 3.31Å
8F72.7Confident66.4Low145 Ų145116.9 Ų116.964%0.63662%0.617SS**Hα-helixtrans-71.1-42178.1-179.1-97.7000111.6V5 D6 L10 L11 Y12V5-F8 PolarHBondContact O-N 3.11Å; D6-F8 PolarHBondContact O-N 2.99Å; F8-L10 PolarHBondContact O-N 2.96Å; F8-L11 PolarHBondContact O-N 2.74Å; F8-Y12 VanDerWaalsContact O-CB 3.28Å; F8-Y12 WeakPolarHBondContact O-CB 3.37Å; F8-Y12 PolarHBondContact O-N 2.94Å
9H74.3Confident66.2Low118 Ų118114.6 Ų114.655%0.54661%0.611SS.*Hα-helixtrans-65.2-38.4178.3-172.1-79.3000112.1V5 D6 R13V5-H9 PolarHBondContact O-N 3.14Å; D6-H9 PolarHBondContact O-N 3.3Å; H9-R13 VanDerWaalsContact O-CB 3.3Å; H9-R13 WeakPolarHBondContact O-CB 3.41Å; H9-R13 PolarHBondContact O-N 3.46Å
10L77.1Confident66.8Low108 Ų108113.3 Ų113.357%0.56560%0.604SS**Hα-helixtrans-66.9-46174.2-72.5169.2000111.9D6 F8 Y12 R13 E14D6-L10 WeakPolarHBondContact O-CB 3.22Å; D6-L10 WeakPolarHBondContact O-CG 3.3Å; D6-L10 PolarHBondContact O-N 3.03Å; F8-L10 PolarHBondContact O-N 2.96Å; L10-Y12 PolarHBondContact O-N 3.17Å; L10-R13 PolarHBondContact O-N 3.2Å; L10-E14 WeakPolarHBondContact O-CB 3.43Å; L10-E14 PolarHBondContact O-N 2.97Å
11L74.2Confident67.3Low99 Ų99111.5 Ų111.552%0.51860%0.6SS.*Hα-helixtrans-60.4-44.5176-168.981.1000111.5S7 F8 R13 E14 I15S7-L11 VanDerWaalsContact O-CB 3.3Å; S7-L11 WeakPolarHBondContact O-CB 3.32Å; S7-L11 PolarHBondContact O-N 3.31Å; F8-L11 PolarHBondContact O-N 2.74Å; L11-R13 PolarHBondContact O-N 3.17Å; L11-E14 PolarHBondContact O-N 2.64Å; L11-I15 HydrophobicContact CD2-CD1 4.2Å; L11-I15 HydrophobicContact CG-CD1 3.85Å; L11-I15 WeakPolarHBondContact O-CB 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.44Å; L11-I15 PolarHBondContact O-N 3.1Å
12Y75.8Confident68.8Low148 Ų148106.1 Ų106.158%0.5857%0.572SS**Hα-helixtrans-61.9-43176.3177.9-98.1000111.9F8 L10 E14 S16F8-Y12 VanDerWaalsContact O-CB 3.28Å; F8-Y12 WeakPolarHBondContact O-CB 3.37Å; F8-Y12 PolarHBondContact O-N 2.94Å; L10-Y12 PolarHBondContact O-N 3.17Å; Y12-E14 VanDerWaalsContact C-N 3.33Å; Y12-E14 PolarHBondContact O-N 3.48Å; Y12-S16 WeakPolarHBondContact O-CB 3.46Å; Y12-S16 PolarHBondContact O-N 3.05Å
13R75.6Confident70.3Confident160 Ų160109.3 Ų109.360%0.60457%0.572SS**Hα-helixtrans-65.5-37.1178.4-169.4176.4-179.5177.70.3111.9H9 L10 L11 R17H9-R13 VanDerWaalsContact O-CB 3.3Å; H9-R13 WeakPolarHBondContact O-CB 3.41Å; H9-R13 PolarHBondContact O-N 3.46Å; L10-R13 PolarHBondContact O-N 3.2Å; L11-R13 PolarHBondContact O-N 3.17Å; R13-R17 WeakPolarHBondContact O-CB 3.48Å; R13-R17 PolarHBondContact O-N 2.95Å
14E73.2Confident71.8Confident146 Ų146111.1 Ų111.168%0.68257%0.566SS**Hα-helixtrans-74.1-42.2178.8-163.1155.6-153.100112.1L10 L11 Y12 R17 S18L10-E14 WeakPolarHBondContact O-CB 3.43Å; L10-E14 PolarHBondContact O-N 2.97Å; L11-E14 PolarHBondContact O-N 2.64Å; Y12-E14 VanDerWaalsContact C-N 3.33Å; Y12-E14 PolarHBondContact O-N 3.48Å; E14-R17 PolarHBondContact O-N 3.36Å; E14-S18 WeakPolarHBondContact O-CB 3.48Å; E14-S18 PolarHBondContact O-N 3.04Å
15I70.1Confident73.4Confident93 Ų93109.6 Ų109.648%0.47755%0.554SS.*Hα-helixtrans-61.9-46.2170.9-67.7167.7000110.6L11 R17 S18 C19L11-I15 HydrophobicContact CD2-CD1 4.2Å; L11-I15 HydrophobicContact CG-CD1 3.85Å; L11-I15 WeakPolarHBondContact O-CB 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.44Å; L11-I15 PolarHBondContact O-N 3.1Å; I15-R17 VanDerWaalsContact C-N 3.34Å; I15-R17 PolarHBondContact O-N 3.38Å; I15-S18 PolarHBondContact O-N 3.46Å; I15-C19 VanDerWaalsContact O-CB 3.3Å; I15-C19 WeakPolarHBondContact O-CB 3.48Å; I15-C19 PolarHBondContact O-N 3.34Å; I15-C19 PolarHBondContact O-SG 3.45Å
16S68Low75.1Confident57 Ų57110.5 Ų110.540%0.39955%0.554SS.*Hα-helixtrans-59.6-44.3177.8172.80000111.5Y12 C19 N20Y12-S16 WeakPolarHBondContact O-CB 3.46Å; Y12-S16 PolarHBondContact O-N 3.05Å; S16-C19 PolarHBondContact O-N 3.4Å; S16-N20 WeakPolarHBondContact O-CB 3.32Å; S16-N20 PolarHBondContact O-N 3.22Å
17R69.6Low76.6Confident202 Ų202107.8 Ų107.876%0.76255%0.547SS*.Hα-helixtrans-67.9-38.1179.2-160.5176.8177.8177.4-1.8112.3R13 E14 I15 N20R13-R17 WeakPolarHBondContact O-CB 3.48Å; R13-R17 PolarHBondContact O-N 2.95Å; E14-R17 PolarHBondContact O-N 3.36Å; I15-R17 VanDerWaalsContact C-N 3.34Å; I15-R17 PolarHBondContact O-N 3.38Å; R17-N20 PolarHBondContact O-N 3.29Å
18S65.8Low77.8Confident65 Ų65109.4 Ų109.446%0.45555%0.549SS..Hα-helixtrans-65.8-47.3172.3-170.60000111.3E14 I15 N20 S21 H22E14-S18 WeakPolarHBondContact O-CB 3.48Å; E14-S18 PolarHBondContact O-N 3.04Å; I15-S18 PolarHBondContact O-N 3.46Å; S18-N20 VanDerWaalsContact C-N 3.27Å; S18-N20 PolarHBondContact O-N 3.4Å; S18-S21 PolarHBondContact O-N 2.89Å; S18-H22 PolarHBondContact O-N 2.88Å; S18-H22 PolarHBondContact O-ND1 3.22Å
19C63.7Low78.9Confident73 Ų73107.6 Ų107.649%0.49355%0.545SS..Hα-helixtrans-61.6-31.6175.8-74.70000113I15 S16 S21 H22 F23I15-C19 VanDerWaalsContact O-CB 3.3Å; I15-C19 WeakPolarHBondContact O-CB 3.48Å; I15-C19 PolarHBondContact O-N 3.34Å; I15-C19 PolarHBondContact O-SG 3.45Å; S16-C19 PolarHBondContact O-N 3.4Å; C19-S21 VanDerWaalsContact C-N 3.35Å; C19-S21 PolarHBondContact O-N 2.81Å; C19-H22 PolarHBondContact O-N 2.93Å; C19-F23 WeakPolarHBondContact O-CB 3.44Å; C19-F23 PolarHBondContact O-N 3.42Å
20N77Confident79.8Confident88 Ų88103.8 Ų103.847%0.47154%0.537SS..Hα-helixtrans-64.1-40.3179.2-143.326.7000111.8S16 R17 S18 F23 E24S16-N20 WeakPolarHBondContact O-CB 3.32Å; S16-N20 PolarHBondContact O-N 3.22Å; R17-N20 PolarHBondContact O-N 3.29Å; S18-N20 VanDerWaalsContact C-N 3.27Å; S18-N20 PolarHBondContact O-N 3.4Å; N20-F23 PolarHBondContact O-N 2.97Å; N20-E24 WeakPolarHBondContact O-CB 3.43Å; N20-E24 WeakPolarHBondContact O-CG 3.4Å; N20-E24 PolarHBondContact O-N 3.35Å
21S77.8Confident80.6Confident76 Ų76101.4 Ų101.453%0.53153%0.533SS..Hα-helixtrans-65.7-38.5175.3-176.90000112.2S18 C19 A25S18-S21 PolarHBondContact O-N 2.89Å; C19-S21 VanDerWaalsContact C-N 3.35Å; C19-S21 PolarHBondContact O-N 2.81Å; S21-A25 WeakPolarHBondContact O-CB 3.26Å; S21-A25 PolarHBondContact O-N 3.14Å
22H81.8Confident81.6Confident121 Ų121102.1 Ų102.156%0.5654%0.537SS*.Hα-helixtrans-67.3-37.9174.5-64.982000111.8S18 C19 A25 L26S18-H22 PolarHBondContact O-N 2.88Å; S18-H22 PolarHBondContact O-ND1 3.22Å; C19-H22 PolarHBondContact O-N 2.93Å; H22-A25 PolarHBondContact O-N 3.29Å; H22-L26 WeakPolarHBondContact O-CB 3.31Å; H22-L26 VanDerWaalsContact O-CG 3.32Å; H22-L26 WeakPolarHBondContact O-CG 2.95Å; H22-L26 PolarHBondContact O-N 3.24Å
23F85.6Confident82.5Confident143 Ų143101.5 Ų101.563%0.62754%0.535SS*.Hα-helixtrans-67.4-44.1176.9-170.6-92.5000111.8C19 N20 A25 L26 A27C19-F23 WeakPolarHBondContact O-CB 3.44Å; C19-F23 PolarHBondContact O-N 3.42Å; N20-F23 PolarHBondContact O-N 2.97Å; F23-A25 VanDerWaalsContact C-N 3.34Å; F23-A25 PolarHBondContact O-N 3.48Å; F23-L26 PolarHBondContact O-N 3.37Å; F23-A27 VanDerWaalsContact O-CB 3.28Å; F23-A27 WeakPolarHBondContact O-CB 3.33Å; F23-A27 PolarHBondContact O-N 3.15Å
24E86.3Confident83.4Confident123 Ų12396.6 Ų96.658%0.57553%0.528SS*.Hα-helixtrans-61-41.8173.7-74.8175-172.300111.7N20 A27 L28N20-E24 WeakPolarHBondContact O-CB 3.43Å; N20-E24 WeakPolarHBondContact O-CG 3.4Å; N20-E24 PolarHBondContact O-N 3.35Å; E24-A27 PolarHBondContact O-N 3.27Å; E24-L28 WeakPolarHBondContact O-CB 3.02Å; E24-L28 PolarHBondContact O-N 2.97Å
25A88.6Confident84.3Confident48 Ų4892.2 Ų92.240%0.39752%0.517SS..Hα-helixtrans-63-46.117500000112.1S21 H22 F23 A27 L28 I29S21-A25 WeakPolarHBondContact O-CB 3.26Å; S21-A25 PolarHBondContact O-N 3.14Å; H22-A25 PolarHBondContact O-N 3.29Å; F23-A25 VanDerWaalsContact C-N 3.34Å; F23-A25 PolarHBondContact O-N 3.48Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.95Å; A25-L28 PolarHBondContact O-N 3.11Å; A25-I29 VanDerWaalsContact O-CG1 3.27Å; A25-I29 WeakPolarHBondContact O-CG1 3.12Å; A25-I29 PolarHBondContact O-N 3.2Å
26L92.3Very high85.4Confident118 Ų11891.1 Ų91.162%0.61852%0.517SS*.Hα-helixtrans-63.8-38.8175.6-74.9170.1000112.1H22 F23 I29 G30H22-L26 WeakPolarHBondContact O-CB 3.31Å; H22-L26 VanDerWaalsContact O-CG 3.32Å; H22-L26 WeakPolarHBondContact O-CG 2.95Å; H22-L26 PolarHBondContact O-N 3.24Å; F23-L26 PolarHBondContact O-N 3.37Å; L26-I29 PolarHBondContact O-N 3.18Å; L26-G30 PolarHBondContact O-N 3.27Å
27A91.9Very high86.5Confident53 Ų5394.5 Ų94.544%0.43852%0.522SS..Hα-helixtrans-64.6-41.8175.500000111.4F23 E24 A25 G30 A31F23-A27 VanDerWaalsContact O-CB 3.28Å; F23-A27 WeakPolarHBondContact O-CB 3.33Å; F23-A27 PolarHBondContact O-N 3.15Å; E24-A27 PolarHBondContact O-N 3.27Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.95Å; A27-G30 PolarHBondContact O-N 2.84Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.28Å
28L93Very high87.6Confident114 Ų11487.6 Ų87.660%0.59751%0.507SS*.Hα-helixtrans-63.5-45.9174.8-170.477.6000111.3E24 A25 G30 A31 L32E24-L28 WeakPolarHBondContact O-CB 3.02Å; E24-L28 PolarHBondContact O-N 2.97Å; A25-L28 PolarHBondContact O-N 3.11Å; L28-G30 VanDerWaalsContact C-N 3.32Å; L28-G30 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 3.04Å; L28-L32 HydrophobicContact CG-CD1 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.04Å
29I94.8Very high88.9Confident107 Ų10789.2 Ų89.255%0.54952%0.515SS..Hα-helixtrans-59.7-44.6175.3-68.1165.2000110.4A25 L26 L32 Y33A25-I29 VanDerWaalsContact O-CG1 3.27Å; A25-I29 WeakPolarHBondContact O-CG1 3.12Å; A25-I29 PolarHBondContact O-N 3.2Å; L26-I29 PolarHBondContact O-N 3.18Å; I29-L32 PolarHBondContact O-N 3.14Å; I29-Y33 WeakPolarHBondContact O-CB 3.41Å; I29-Y33 PolarHBondContact O-N 2.98Å
30G94.6Very high90Very high37 Ų3787.9 Ų87.938%0.38150%0.504SS..Hα-helixtrans-61.7-43.8176.800000112.6L26 A27 L28 Y33 A34L26-G30 PolarHBondContact O-N 3.27Å; A27-G30 PolarHBondContact O-N 2.84Å; L28-G30 VanDerWaalsContact C-N 3.32Å; L28-G30 PolarHBondContact O-N 3.17Å; G30-Y33 PolarHBondContact O-N 3.29Å; G30-A34 WeakPolarHBondContact O-CB 3.23Å; G30-A34 PolarHBondContact O-N 2.88Å
31A93.8Very high90.6Very high59 Ų5989 Ų8949%0.48851%0.509SS..Hα-helixtrans-64.8-44.5176.800000111.9A27 L28 Y33 A34 A35A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.28Å; L28-A31 PolarHBondContact O-N 3.04Å; A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-Y33 PolarHBondContact O-N 3.34Å; A31-A34 PolarHBondContact O-N 3.31Å; A31-A35 VanDerWaalsContact O-CB 3.31Å; A31-A35 WeakPolarHBondContact O-CB 3.37Å; A31-A35 PolarHBondContact O-N 2.86Å
32L94.7Very high91.2Very high113 Ų11391 Ų9159%0.59251%0.513SS*.Hα-helixtrans-61.8-41.9175.3-72.8172.2000111.6L28 I29 S36L28-L32 HydrophobicContact CG-CD1 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.04Å; I29-L32 PolarHBondContact O-N 3.14Å; L32-S36 VanDerWaalsContact O-CB 3.29Å; L32-S36 WeakPolarHBondContact O-CB 3.14Å; L32-S36 PolarHBondContact O-N 3.04Å
33Y94.6Very high91.6Very high136 Ų13692.1 Ų92.153%0.53351%0.513SS..Hα-helixtrans-64-47.1175.1178.5-101.7000111.9I29 G30 A31 A35 S36 R37I29-Y33 WeakPolarHBondContact O-CB 3.41Å; I29-Y33 PolarHBondContact O-N 2.98Å; G30-Y33 PolarHBondContact O-N 3.29Å; A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-Y33 PolarHBondContact O-N 3.34Å; Y33-A35 PolarHBondContact O-N 3.26Å; Y33-S36 WeakPolarHBondContact O-CB 3.47Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-R37 HydrophobicContact CD1-CG 4.31Å; Y33-R37 HydrophobicContact CE1-CG 3.91Å; Y33-R37 HydrophobicContact CE2-CG 4.17Å; Y33-R37 VanDerWaalsContact CZ-NE 3.28Å; Y33-R37 WeakPolarHBondContact O-CG 3.49Å; Y33-R37 PolarHBondContact O-N 3.02Å; Y33-R37 PolarHBondContact OH-NE 3.21Å; Y33-R37 PolarHBondContact OH-NH2 3.04Å
34A93.6Very high91.7Very high57 Ų5788.6 Ų88.647%0.47150%0.5SS..Hα-helixtrans-61.6-43.917800000111.8G30 A31 R37 A38G30-A34 WeakPolarHBondContact O-CB 3.23Å; G30-A34 PolarHBondContact O-N 2.88Å; A31-A34 PolarHBondContact O-N 3.31Å; A34-R37 PolarHBondContact O-N 3Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 3.04Å
35A93.9Very high91.8Very high54 Ų5486.8 Ų86.845%0.44650%0.5SS..Hα-helixtrans-61.5-45.717500000111.6A31 Y33 R37 A38 V39A31-A35 VanDerWaalsContact O-CB 3.31Å; A31-A35 WeakPolarHBondContact O-CB 3.37Å; A31-A35 PolarHBondContact O-N 2.86Å; Y33-A35 PolarHBondContact O-N 3.26Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.11Å; A35-A38 PolarHBondContact O-N 3.47Å; A35-V39 WeakPolarHBondContact O-CG2 3.15Å; A35-V39 PolarHBondContact O-N 2.87Å
36S92.2Very high91.9Very high69 Ų6988 Ų8848%0.48351%0.505SS..Hα-helixtrans-58.3-43.9175.1179.60000111.9L32 Y33 V39 V40L32-S36 VanDerWaalsContact O-CB 3.29Å; L32-S36 WeakPolarHBondContact O-CB 3.14Å; L32-S36 PolarHBondContact O-N 3.04Å; Y33-S36 WeakPolarHBondContact O-CB 3.47Å; Y33-S36 PolarHBondContact O-N 3.41Å; S36-V39 PolarHBondContact O-N 2.87Å; S36-V40 WeakPolarHBondContact O-CG2 3.44Å; S36-V40 PolarHBondContact O-N 3.33Å; S36-V40 VanDerWaalsContact O-N 3.07Å
37R91.4Very high91.8Very high129 Ų12985.7 Ų85.749%0.48750%0.496SS..Hα-helixtrans-65-41175.3-69.5-59.3-174.3-175.2-0.1112.7Y33 A34 A35 V39 V40 L41Y33-R37 HydrophobicContact CD1-CG 4.31Å; Y33-R37 HydrophobicContact CE1-CG 3.91Å; Y33-R37 HydrophobicContact CE2-CG 4.17Å; Y33-R37 VanDerWaalsContact CZ-NE 3.28Å; Y33-R37 WeakPolarHBondContact O-CG 3.49Å; Y33-R37 PolarHBondContact O-N 3.02Å; Y33-R37 PolarHBondContact OH-NE 3.21Å; Y33-R37 PolarHBondContact OH-NH2 3.04Å; A34-R37 PolarHBondContact O-N 3Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.11Å; R37-V39 PolarHBondContact O-N 2.74Å; R37-V40 PolarHBondContact O-N 3.07Å; R37-L41 WeakPolarHBondContact O-CB 3.32Å; R37-L41 VanDerWaalsContact O-CG 3.3Å; R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 3.42Å
38A91.6Very high91.7Very high56 Ų5684.6 Ų84.646%0.46348%0.484SS..Hα-helixtrans-61.7-42.7176.400000111.7A34 A35 L41 L42A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 3.04Å; A35-A38 PolarHBondContact O-N 3.47Å; A38-L41 PolarHBondContact O-N 2.78Å; A38-L42 WeakPolarHBondContact O-CB 3.22Å; A38-L42 PolarHBondContact O-N 3.09Å
39V93.1Very high91.6Very high100 Ų10081.3 Ų81.361%0.60647%0.473SS*.Hα-helixtrans-62.7-44.2176.2171.50000111.4A35 S36 R37 L42 R43A35-V39 WeakPolarHBondContact O-CG2 3.15Å; A35-V39 PolarHBondContact O-N 2.87Å; S36-V39 PolarHBondContact O-N 2.87Å; R37-V39 PolarHBondContact O-N 2.74Å; V39-L42 PolarHBondContact O-N 2.82Å; V39-R43 WeakPolarHBondContact O-CB 3.48Å; V39-R43 PolarHBondContact O-N 3.05Å
40V88.4Confident91.5Very high44 Ų4482.8 Ų82.827%0.26747%0.472SS..Hα-helixtrans-62.2-46.2176.7170.80000111.1S36 R37 R43 D44S36-V40 WeakPolarHBondContact O-CG2 3.44Å; S36-V40 PolarHBondContact O-N 3.33Å; S36-V40 VanDerWaalsContact O-N 3.07Å; R37-V40 PolarHBondContact O-N 3.07Å; V40-R43 PolarHBondContact O-N 3.43Å; V40-D44 WeakPolarHBondContact O-CB 3.27Å; V40-D44 PolarHBondContact O-N 3.04Å
41L88Confident91.4Very high112 Ų11281.4 Ų81.459%0.58646%0.455SS*.Hα-helixtrans-61.7-45.1177.8-73.7170.3000111.8R37 A38 R43 D44 C45R37-L41 WeakPolarHBondContact O-CB 3.32Å; R37-L41 VanDerWaalsContact O-CG 3.3Å; R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 3.42Å; A38-L41 PolarHBondContact O-N 2.78Å; L41-R43 PolarHBondContact O-N 2.86Å; L41-D44 PolarHBondContact O-N 3.4Å; L41-C45 WeakPolarHBondContact O-CB 3.14Å; L41-C45 PolarHBondContact O-N 2.97Å; L41-C45 PolarHBondContact O-SG 3.01Å; L41-C45 VanDerWaalsContact O-SG 3.35Å
42L91.7Very high91.3Very high117 Ų11778.8 Ų78.861%0.61343%0.433SS*.Hα-helixtrans-60-46.6177.7-177.464.7000111.2A38 V39 D44 C45 C46A38-L42 WeakPolarHBondContact O-CB 3.22Å; A38-L42 PolarHBondContact O-N 3.09Å; V39-L42 PolarHBondContact O-N 2.82Å; L42-D44 VanDerWaalsContact C-N 3.31Å; L42-D44 PolarHBondContact O-N 3.44Å; L42-C45 PolarHBondContact O-N 2.88Å; L42-C46 WeakPolarHBondContact O-CB 3.23Å; L42-C46 PolarHBondContact O-N 3.08Å; L42-C46 PolarHBondContact O-SG 3.01Å
43R90.1Very high91.1Very high146 Ų14678 Ų7855%0.55143%0.425SS*.Hα-helixtrans-58-43.9175.4-177.6-159.867.8-166.8-3111.6V39 V40 L41 C46 T47V39-R43 WeakPolarHBondContact O-CB 3.48Å; V39-R43 PolarHBondContact O-N 3.05Å; V40-R43 PolarHBondContact O-N 3.43Å; L41-R43 PolarHBondContact O-N 2.86Å; R43-C46 PolarHBondContact O-N 3.38Å; R43-T47 WeakPolarHBondContact O-CB 3.41Å; R43-T47 PolarHBondContact O-N 3.24Å; R43-T47 PolarHBondContact O-OG1 3.3Å
44D87.3Confident90.8Very high69 Ų6975.6 Ų75.637%0.36942%0.421SS..Hα-helixtrans-67.6-41.2-179.2-66.8-7.5000110.7V40 L41 L42 T47 V48V40-D44 WeakPolarHBondContact O-CB 3.27Å; V40-D44 PolarHBondContact O-N 3.04Å; L41-D44 PolarHBondContact O-N 3.4Å; L42-D44 VanDerWaalsContact C-N 3.31Å; L42-D44 PolarHBondContact O-N 3.44Å; D44-T47 WeakPolarHBondContact O-CB 3.14Å; D44-T47 PolarHBondContact O-N 3.32Å; D44-V48 WeakPolarHBondContact O-CG2 3.32Å; D44-V48 PolarHBondContact O-N 3.03Å
45C89Confident90.4Very high84 Ų8474.1 Ų74.157%0.56841%0.407SS*.Hα-helixtrans-59.8-47.2171.6-72.30000112.3L41 L42 T47 V48 A49L41-C45 WeakPolarHBondContact O-CB 3.14Å; L41-C45 PolarHBondContact O-N 2.97Å; L41-C45 PolarHBondContact O-SG 3.01Å; L41-C45 VanDerWaalsContact O-SG 3.35Å; L42-C45 PolarHBondContact O-N 2.88Å; C45-T47 VanDerWaalsContact C-N 3.26Å; C45-T47 PolarHBondContact O-N 3.17Å; C45-V48 PolarHBondContact O-N 2.96Å; C45-A49 WeakPolarHBondContact O-CB 3.19Å; C45-A49 PolarHBondContact O-N 3.41Å
46C91Very high90Very high74 Ų7476.3 Ų76.350%0.540%0.404SS..Hα-helixtrans-60.3-37.7175.2-69.20000111.6L42 R43 A49 R50L42-C46 WeakPolarHBondContact O-CB 3.23Å; L42-C46 PolarHBondContact O-N 3.08Å; L42-C46 PolarHBondContact O-SG 3.01Å; R43-C46 PolarHBondContact O-N 3.38Å; C46-A49 PolarHBondContact O-N 3.17Å; C46-R50 VanDerWaalsContact O-CB 3.28Å; C46-R50 WeakPolarHBondContact O-CB 3.46Å; C46-R50 PolarHBondContact O-N 3.14Å
47T88.6Confident89.6Confident70 Ų7080.6 Ų80.643%0.42942%0.418SS..Hα-helixtrans-65.1-45.4176.6-57.60000111.1R43 D44 C45 R50 V51R43-T47 WeakPolarHBondContact O-CB 3.41Å; R43-T47 PolarHBondContact O-N 3.24Å; R43-T47 PolarHBondContact O-OG1 3.3Å; D44-T47 WeakPolarHBondContact O-CB 3.14Å; D44-T47 PolarHBondContact O-N 3.32Å; C45-T47 VanDerWaalsContact C-N 3.26Å; C45-T47 PolarHBondContact O-N 3.17Å; T47-R50 PolarHBondContact O-N 2.87Å; T47-V51 HydrophobicContact CG2-CG2 4.24Å; T47-V51 WeakPolarHBondContact O-CB 3.32Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.33Å; T47-V51 PolarHBondContact O-N 2.84Å
48V90.1Very high88.9Confident30 Ų3080.6 Ų80.618%0.18243%0.425CS..Hα-helixtrans-60.3-47176170.20000111D44 C45 R50 V51 H52 F53 T290D44-V48 WeakPolarHBondContact O-CG2 3.32Å; D44-V48 PolarHBondContact O-N 3.03Å; C45-V48 PolarHBondContact O-N 2.96Å; V48-R50 PolarHBondContact O-N 2.92Å; V48-V51 PolarHBondContact O-N 3.32Å; V48-H52 PolarHBondContact O-N 3.39Å; V48-F53 HydrophobicContact CG1-CD2 4.48Å; V48-F53 HydrophobicContact CG1-CE2 3.96Å; V48-T290 HydrophobicContact CG2-CG2 3.79Å
49A91.5Very high87.7Confident44 Ų4484.3 Ų84.336%0.36444%0.444SS..Iπ-helixtrans-56.8-48.6175.500000111.5C45 C46 V51 F53 L54C45-A49 WeakPolarHBondContact O-CB 3.19Å; C45-A49 PolarHBondContact O-N 3.41Å; C46-A49 PolarHBondContact O-N 3.17Å; A49-V51 PolarHBondContact O-N 2.88Å; A49-F53 WeakPolarHBondContact O-CB 3.47Å; A49-F53 PolarHBondContact O-N 2.89Å; A49-F53 VanDerWaalsContact O-N 3.08Å; A49-L54 PolarHBondContact O-N 3Å
50R93.3Very high86.5Confident139 Ų13984.1 Ų84.153%0.52545%0.447SS..Iπ-helixtrans-63.5-39.6-179.6-166.5-168.994.4136.56.7113.3C46 T47 V48 L54 P55 V279C46-R50 VanDerWaalsContact O-CB 3.28Å; C46-R50 WeakPolarHBondContact O-CB 3.46Å; C46-R50 PolarHBondContact O-N 3.14Å; T47-R50 PolarHBondContact O-N 2.87Å; V48-R50 PolarHBondContact O-N 2.92Å; R50-L54 HydrophobicContact CB-CD1 4.29Å; R50-L54 HydrophobicContact CG-CD1 4.1Å; R50-P55 WeakPolarHBondContact O-CD 3.33Å; R50-V279 PolarHBondContact NH2-O 3.02Å
51V91.4Very high85.9Confident7 Ų784.9 Ų84.94%0.04246%0.464CS..Iπ-helixtrans-85.4-37-172.6173.40000112.2T47 V48 A49 T276T47-V51 HydrophobicContact CG2-CG2 4.24Å; T47-V51 WeakPolarHBondContact O-CB 3.32Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.33Å; T47-V51 PolarHBondContact O-N 2.84Å; V48-V51 PolarHBondContact O-N 3.32Å; A49-V51 PolarHBondContact O-N 2.88Å; V51-T276 HydrophobicContact CG1-CG2 3.96Å
52H91.5Very high85.8Confident4 Ų488 Ų882%0.01947%0.468CS..Iπ-helixtrans-110.2-23.5-170-62.9-74.2000114.8V48 W287 T290V48-H52 PolarHBondContact O-N 3.39Å; H52-W287 HydrophobicContact CB-CB 3.81Å; H52-T290 PolarHBondContact NE2-OG1 3.4Å
53F90.1Very high85.7Confident97 Ų9783.4 Ų83.443%0.42544%0.444SS..Iπ-helixtrans-108.8-49.5-173.5-63.6-89.9000112.3V48 A49 P55 R56 M57 W287V48-F53 HydrophobicContact CG1-CD2 4.48Å; V48-F53 HydrophobicContact CG1-CE2 3.96Å; A49-F53 WeakPolarHBondContact O-CB 3.47Å; A49-F53 PolarHBondContact O-N 2.89Å; A49-F53 VanDerWaalsContact O-N 3.08Å; F53-P55 VanDerWaalsContact C-CD 3.5Å; F53-R56 WeakPolarHBondContact O-CB 3.34Å; F53-R56 PolarHBondContact O-N 3.46Å; F53-R56 VanDerWaalsContact O-N 3.14Å; F53-M57 PolarHBondContact O-N 3.19Å; F53-W287 HydrophobicContact CZ-CD2 4.29Å; F53-W287 HydrophobicContact CZ-CG 4.35Å
54L89Confident85.8Confident86 Ų8677.4 Ų77.445%0.4542%0.423SS..Hα-helixtrans-55.4-44.4178.9-69.6-178.2000114A49 R50 R56 M57 M58A49-L54 PolarHBondContact O-N 3Å; R50-L54 HydrophobicContact CB-CD1 4.29Å; R50-L54 HydrophobicContact CG-CD1 4.1Å; L54-R56 PolarHBondContact O-N 3.22Å; L54-R56 VanDerWaalsContact O-N 3.17Å; L54-M57 PolarHBondContact O-N 3.49Å; L54-M57 VanDerWaalsContact O-N 3.08Å; L54-M58 PolarHBondContact O-N 3.5Å
55P86.5Confident85.9Confident26 Ų2680.3 Ų80.317%0.16944%0.435CS..Hα-helixtrans-67.4-18.5-177.6-21.736.3000113.5R50 F53 S275 V279R50-P55 WeakPolarHBondContact O-CD 3.33Å; F53-P55 VanDerWaalsContact C-CD 3.5Å; P55-S275 WeakPolarHBondContact CB-O 3.43Å; P55-V279 HydrophobicContact CB-CG2 4.13Å; P55-V279 HydrophobicContact CG-CB 4.34Å; P55-V279 HydrophobicContact CG-CG1 4.01Å; P55-V279 HydrophobicContact CG-CG2 3.73Å
56R83.8Confident86.1Confident100 Ų10082.4 Ų82.438%0.37743%0.431SS..Hα-helixtrans-83.3-26.8175-67.1-177.4128.190.5-4.5112.9F53 L54 H272 S275F53-R56 WeakPolarHBondContact O-CB 3.34Å; F53-R56 PolarHBondContact O-N 3.46Å; F53-R56 VanDerWaalsContact O-N 3.14Å; L54-R56 PolarHBondContact O-N 3.22Å; L54-R56 VanDerWaalsContact O-N 3.17Å; R56-H272 VanDerWaalsContact CZ-CE1 3.43Å; R56-H272 PolarHBondContact NH1-CE1 2.91Å; R56-H272 VanDerWaalsContact NH1-CE1 3.31Å; R56-H272 VanDerWaalsContact NH1-CG 3.34Å; R56-H272 PolarHBondContact NH1-ND1 3.43Å; R56-H272 PolarHBondContact NH2-CD2 2.79Å; R56-H272 PolarHBondContact NH2-CE1 2.75Å; R56-H272 VanDerWaalsContact NH2-CE1 3.27Å; R56-H272 VanDerWaalsContact NH2-CG 3.29Å; R56-H272 PolarHBondContact NH2-ND1 3.31Å; R56-H272 PolarHBondContact NH2-NE2 3.43Å; R56-S275 PolarHBondContact NH1-OG 3.36Å
57M83.5Confident86.3Confident158 Ų15879.2 Ų79.278%0.77841%0.408SS*.Hα-helixtrans-86.5-21.4-179.2-63.9-174.173.200112.1F53 L54F53-M57 PolarHBondContact O-N 3.19Å; L54-M57 PolarHBondContact O-N 3.49Å; L54-M57 VanDerWaalsContact O-N 3.08Å
58M76.7Confident86.7Confident130 Ų13075.9 Ų75.964%0.6439%0.388SS*.SBendtrans-103.3136.4180-68.7-175.4153.300110.6L54 S60L54-M58 PolarHBondContact O-N 3.5Å; M58-S60 PolarHBondContact O-N 3.35Å
59P67.9Low87Confident133 Ų13378.1 Ų78.186%0.86440%0.399SS*.  trans-62.4112.7172.7-0.47.7000109.5
60S67.4Low87.3Confident97 Ų9777 Ų7768%0.67839%0.385SS*.PPolyproline II helixtrans-71.9132.5167.342.80000109.2M58M58-S60 PolarHBondContact O-N 3.35Å
61G75Confident87.6Confident59 Ų5970.4 Ų70.461%0.60836%0.36SS*.PPolyproline II helixtrans-57163.6172.400000112.1L63G61-L63 PolarHBondContact O-N 3.05Å
62R86.4Confident87.8Confident179 Ų17970 Ų7068%0.67536%0.358SS*.PPolyproline II helixtrans-58.2123.4-178.4-69-177.1179.4178.1-0.1110.5T64 Q65 R66R62-T64 PolarHBondContact O-N 2.91Å; R62-Q65 HydrophobicContact CB-CB 4.28Å; R62-Q65 HydrophobicContact CB-CG 4.06Å; R62-Q65 PolarHBondContact O-N 3.27Å; R62-Q65 VanDerWaalsContact O-N 3.1Å; R62-R66 PolarHBondContact O-N 2.78Å
63L90.1Very high88.1Confident19 Ų1969.9 Ų69.910%0.09936%0.357CS..Hα-helixtrans-56.6-38.8-179.5-74.6-172.9000112G61 Q65 R66 Y67 L88 V93 F148 V274G61-L63 PolarHBondContact O-N 3.05Å; L63-Q65 PolarHBondContact O-N 2.8Å; L63-R66 PolarHBondContact O-N 2.86Å; L63-Y67 HydrophobicContact CD2-CD2 4.29Å; L63-Y67 HydrophobicContact CD2-CE2 4.18Å; L63-Y67 PolarHBondContact O-N 2.82Å; L63-L88 HydrophobicContact CD1-CD2 4Å; L63-V93 HydrophobicContact CB-CG2 4.41Å; L63-F148 HydrophobicContact CB-CZ 3.93Å; L63-V274 HydrophobicContact CD1-CG1 4.11Å
64T91.6Very high88.2Confident21 Ų2166.4 Ų66.413%0.12934%0.342CS..Hα-helixtrans-59.6-43.217649.90000113R62 R66 G68 D69 V93R62-T64 PolarHBondContact O-N 2.91Å; T64-R66 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 3.44Å; T64-G68 WeakPolarHBondContact CA-O 3.32Å; T64-G68 CarbonylContact O-C 3.6Å; T64-G68 VanDerWaalsContact O-CA 3.3Å; T64-G68 WeakPolarHBondContact O-CA 3.38Å; T64-G68 PolarHBondContact O-N 3.12Å; T64-D69 WeakPolarHBondContact CB-OD1 3.47Å; T64-V93 HydrophobicContact CG2-CG2 3.8Å
65Q90Very high88.1Confident129 Ų12963.1 Ų63.160%0.60333%0.328SS*.Hα-helixtrans-66.8-37.1176.4-69.4178.9-1600112.1R62 L63 R198R62-Q65 HydrophobicContact CB-CB 4.28Å; R62-Q65 HydrophobicContact CB-CG 4.06Å; R62-Q65 PolarHBondContact O-N 3.27Å; R62-Q65 VanDerWaalsContact O-N 3.1Å; L63-Q65 PolarHBondContact O-N 2.8Å; Q65-R198 PolarHBondContact O-NH1 3.41Å
66R92.9Very high87.8Confident128 Ų12862.3 Ų62.348%0.48332%0.324SS..Hα-helixtrans-76.3-37.2-175.4-169.6172.7-177.8-168.4-0.1113.1R62 L63 T64 G278R62-R66 PolarHBondContact O-N 2.78Å; L63-R66 PolarHBondContact O-N 2.86Å; T64-R66 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 3.44Å; R66-G278 PolarHBondContact NH2-O 2.84Å
67Y95.8Very high87.6Confident7 Ų760.5 Ų60.53%0.02733%0.33CS..Hα-helixtrans-125.7-34.5-169.1-61.5-63.5000113.8L63 G147 F148 G199 A200 F243 L277 G278L63-Y67 HydrophobicContact CD2-CD2 4.29Å; L63-Y67 HydrophobicContact CD2-CE2 4.18Å; L63-Y67 PolarHBondContact O-N 2.82Å; Y67-G147 WeakPolarHBondContact O-CA 3.3Å; Y67-F148 VanDerWaalsContact CB-CZ 3.42Å; Y67-F148 AromaticContact CD2-CE1 3.43Å; Y67-F148 HydrophobicContact CD2-CE1 3.43Å; Y67-F148 VanDerWaalsContact CD2-CE1 3.43Å; Y67-F148 AromaticContact CD2-CZ 3.57Å; Y67-F148 HydrophobicContact CD2-CZ 3.57Å; Y67-F148 HydrophobicContact CE2-CE1 4.28Å; Y67-F148 AromaticContact CG-CE1 3.82Å; Y67-F148 HydrophobicContact CG-CE1 3.82Å; Y67-F148 AromaticContact CG-CZ 3.9Å; Y67-F148 HydrophobicContact CG-CZ 3.9Å; Y67-G199 WeakPolarHBondContact CD1-O 3.35Å; Y67-A200 HydrophobicContact CD1-CB 3.73Å; Y67-A200 HydrophobicContact CD2-CB 4.37Å; Y67-A200 HydrophobicContact CE1-CB 3.95Å; Y67-A200 HydrophobicContact CG-CB 3.94Å; Y67-F243 HydrophobicContact CE1-CB 3.83Å; Y67-L277 HydrophobicContact CE2-CD2 4.16Å; Y67-L277 HydrophobicContact CE2-CG 4.31Å; Y67-G278 VanDerWaalsContact OH-CA 3.23Å; Y67-G278 WeakPolarHBondContact OH-CA 3.5Å
68G95.8Very high87.7Confident0 Ų054 Ų540%030%0.298CS..  trans137.1170179.800000112.3T64 D145 F148T64-G68 WeakPolarHBondContact CA-O 3.32Å; T64-G68 CarbonylContact O-C 3.6Å; T64-G68 VanDerWaalsContact O-CA 3.3Å; T64-G68 WeakPolarHBondContact O-CA 3.38Å; T64-G68 PolarHBondContact O-N 3.12Å; G68-D145 VanDerWaalsContact CA-OD2 3.32Å; G68-D145 WeakPolarHBondContact CA-OD2 3.31Å; G68-F148 WeakPolarHBondContact O-CE2 3.4Å
69D97.1Very high88.2Confident77 Ų7750.9 Ų50.941%0.41229%0.287SS..SBendtrans-85.2-17.8-168.7-62.3-34.9000114.4T64 S94 D145T64-D69 WeakPolarHBondContact CB-OD1 3.47Å; D69-S94 PolarHBondContact O-N 2.77Å; D69-D145 PolarHBondContact N-O 2.9Å; D69-D145 VanDerWaalsContact N-O 3.11Å; D69-D145 PolarHBondContact N-OD2 3.2Å
70W98.1Very high89.3Confident21 Ų2144.7 Ų44.78%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-118.2139.7-176.5-70.980.4000113.4S94 I96 E119 K144 D145 V146 G147 F148W70-S94 CarbonylContact C-O 3.51Å; W70-S94 WeakPolarHBondContact CA-O 3.49Å; W70-S94 VanDerWaalsContact CE3-CB 3.48Å; W70-I96 HydrophobicContact CE3-CD1 3.93Å; W70-I96 HydrophobicContact CE3-CG1 3.51Å; W70-I96 HydrophobicContact CZ3-CD1 4.42Å; W70-I96 HydrophobicContact CZ3-CG1 3.81Å; W70-E119 HydrophobicContact CH2-CB 3.39Å; W70-E119 HydrophobicContact CH2-CG 4.31Å; W70-E119 WeakPolarHBondContact CH2-OE2 3.43Å; W70-E119 HydrophobicContact CZ2-CB 3.87Å; W70-E119 HydrophobicContact CZ2-CG 4.41Å; W70-E119 VanDerWaalsContact CZ2-OE2 3.26Å; W70-E119 WeakPolarHBondContact CZ2-OE2 3.32Å; W70-E119 HydrophobicContact CZ3-CB 4.2Å; W70-K144 HydrophobicContact CD2-CB 4.32Å; W70-K144 HydrophobicContact CD2-CD 3.81Å; W70-K144 HydrophobicContact CD2-CG 4.3Å; W70-K144 HydrophobicContact CE3-CD 3.98Å; W70-K144 HydrophobicContact CG-CB 4.02Å; W70-K144 HydrophobicContact CG-CD 4.35Å; W70-K144 HydrophobicContact CH2-CD 4.27Å; W70-K144 HydrophobicContact CZ2-CD 4.14Å; W70-K144 HydrophobicContact CZ2-CG 4.49Å; W70-K144 HydrophobicContact CZ3-CD 4.18Å; W70-D145 PolarHBondContact N-O 2.74Å; W70-V146 HydrophobicContact CB-CG2 4.35Å; W70-G147 PolarHBondContact O-N 3.35Å; W70-F148 PolarHBondContact O-N 3.24Å
71A98Very high90.4Very high0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans-115.2133.3171.900000111.4I73 L88 V93 S94 I95 I96 F148A71-I73 HydrophobicContact CB-CD1 4.2Å; A71-L88 HydrophobicContact CB-CD1 3.72Å; A71-V93 HydrophobicContact CB-CG1 3.66Å; A71-S94 PolarHBondContact N-O 2.8Å; A71-I95 HydrophobicContact CB-CD1 3.87Å; A71-I95 CarbonylContact O-C 3.57Å; A71-I95 WeakPolarHBondContact O-CA 3.24Å; A71-I96 PolarHBondContact O-N 3.19Å; A71-F148 CarbonylContact C-O 3.48Å; A71-F148 WeakPolarHBondContact CA-O 3.38Å; A71-F148 HydrophobicContact CB-CB 3.66Å; A71-F148 HydrophobicContact CB-CD2 4.16Å; A71-F148 HydrophobicContact CB-CG 4.22Å
72V97.6Very high91.2Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-100.4122.9172.6-178.20000108.7I96 I98 L141 V146 F148 L149 V150 M185 V189V72-I96 WeakPolarHBondContact CA-O 3.47Å; V72-I96 HydrophobicContact CG2-CB 4.38Å; V72-I96 HydrophobicContact CG2-CD1 4.31Å; V72-I98 HydrophobicContact CG1-CD1 3.27Å; V72-I98 HydrophobicContact CG1-CG1 4.03Å; V72-L141 HydrophobicContact CG2-CD2 3.35Å; V72-V146 HydrophobicContact CG2-CG1 3.66Å; V72-V146 HydrophobicContact CG2-CG2 4.46Å; V72-F148 PolarHBondContact N-O 2.92Å; V72-L149 HydrophobicContact CB-CD1 4.07Å; V72-L149 HydrophobicContact CG1-CD1 4.04Å; V72-L149 CarbonylContact O-C 3.56Å; V72-L149 WeakPolarHBondContact O-CA 3.48Å; V72-V150 PolarHBondContact O-N 3.27Å; V72-M185 HydrophobicContact CG1-CE 3.45Å; V72-M185 VanDerWaalsContact CG1-CE 3.45Å; V72-V189 HydrophobicContact CG2-CG1 4.48Å
73I96.1Very high91.6Very high0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-115.5107.6-177.4-47.3-63.3000108.6A71 A76 A81 A85 L88 I95 I96 F97 I98 V150A71-I73 HydrophobicContact CB-CD1 4.2Å; I73-A76 HydrophobicContact CG2-CB 4.08Å; I73-A81 HydrophobicContact CG2-CB 4.19Å; I73-A85 HydrophobicContact CD1-CB 4.24Å; I73-A85 HydrophobicContact CG1-CB 3.95Å; I73-L88 HydrophobicContact CD1-CD1 4.22Å; I73-I95 HydrophobicContact CG1-CG2 3.64Å; I73-I96 PolarHBondContact N-O 3.31Å; I73-F97 HydrophobicContact CB-CD1 3.94Å; I73-F97 HydrophobicContact CB-CE1 4.21Å; I73-F97 HydrophobicContact CG1-CD1 4.36Å; I73-F97 HydrophobicContact CG1-CE1 4.27Å; I73-F97 HydrophobicContact CG2-CD1 4.33Å; I73-F97 HydrophobicContact CG2-CE1 4.39Å; I73-I98 PolarHBondContact O-N 2.84Å; I73-V150 HydrophobicContact CD1-CB 3.59Å; I73-V150 HydrophobicContact CD1-CG1 4.49Å; I73-V150 HydrophobicContact CD1-CG2 3.49Å; I73-V150 VanDerWaalsContact CD1-CG2 3.49Å
74Y93.1Very high91.9Very high25 Ų2529.3 Ų29.310%0.09816%0.164CC..EExtended strand (participates in β ladder)trans-96.7135.2171.2-178.9-101.2000110.3I98 F127 V150 C152 R177 A181 M185Y74-I98 HydrophobicContact CD2-CB 4.09Å; Y74-I98 HydrophobicContact CD2-CG2 3.81Å; Y74-I98 HydrophobicContact CE2-CG2 4.31Å; Y74-F127 HydrophobicContact CD2-CD2 4.38Å; Y74-F127 HydrophobicContact CD2-CE2 4.13Å; Y74-F127 AromaticContact CE2-CD2 3.54Å; Y74-F127 HydrophobicContact CE2-CD2 3.54Å; Y74-F127 AromaticContact CE2-CE2 3.73Å; Y74-F127 HydrophobicContact CE2-CE2 3.73Å; Y74-V150 PolarHBondContact N-O 2.9Å; Y74-C152 PolarHBondContact O-N 2.8Å; Y74-R177 VanDerWaalsContact CE1-O 3.23Å; Y74-R177 WeakPolarHBondContact CE1-O 3.41Å; Y74-R177 PolarHBondContact OH-O 3.26Å; Y74-A181 HydrophobicContact CD1-CB 4.2Å; Y74-A181 HydrophobicContact CE1-CB 3.46Å; Y74-A181 VanDerWaalsContact CE1-CB 3.46Å; Y74-A181 HydrophobicContact CE2-CB 4.01Å; Y74-A181 WeakPolarHBondContact OH-CB 3.45Å; Y74-M185 HydrophobicContact CG-CG 4.44Å
75G85.9Confident92.1Very high17 Ų1728.3 Ų28.318%0.17516%0.158CC..SBendtrans83.229.3-174.700000113A77 Q78 A81G75-A77 PolarHBondContact O-N 3.26Å; G75-A77 VanDerWaalsContact O-N 3.13Å; G75-Q78 WeakPolarHBondContact O-CB 3.49Å; G75-Q78 WeakPolarHBondContact O-CG 3.37Å; G75-Q78 PolarHBondContact O-N 3.4Å; G75-A81 WeakPolarHBondContact O-CB 3.41Å
76A81.2Confident92.4Very high8 Ų824 Ų247%0.06614%0.138CC..THydrogen-bonded Turntrans-64.5-14.2-176.800000115.1I73 Q78 F97 V105I73-A76 HydrophobicContact CG2-CB 4.08Å; A76-Q78 PolarHBondContact O-N 2.87Å; A76-F97 HydrophobicContact CB-CB 4.39Å; A76-F97 HydrophobicContact CB-CD1 3.39Å; A76-F97 HydrophobicContact CB-CE1 3.99Å; A76-F97 HydrophobicContact CB-CG 4.27Å; A76-V105 HydrophobicContact CB-CG1 3.78Å
77A79.8Confident92.5Very high63 Ų6318.9 Ų18.952%0.52112%0.119SC..THydrogen-bonded Turntrans-65-17.2169.600000112.8G75G75-A77 PolarHBondContact O-N 3.26Å; G75-A77 VanDerWaalsContact O-N 3.13Å
78Q84.6Confident92.6Very high22 Ų2218.5 Ų18.510%0.10312%0.117CC..SBendtrans-80.9131.3177.3-55.6-55.1-27.800110.6G75 A76 V80 A81 G82 D154 E155G75-Q78 WeakPolarHBondContact O-CB 3.49Å; G75-Q78 WeakPolarHBondContact O-CG 3.37Å; G75-Q78 PolarHBondContact O-N 3.4Å; A76-Q78 PolarHBondContact O-N 2.87Å; Q78-V80 HydrophobicContact CB-CG1 4.28Å; Q78-V80 PolarHBondContact O-N 2.9Å; Q78-A81 HydrophobicContact CB-CB 4.24Å; Q78-A81 WeakPolarHBondContact O-CB 3.3Å; Q78-A81 PolarHBondContact O-N 3.3Å; Q78-G82 PolarHBondContact O-N 3.2Å; Q78-D154 PolarHBondContact NE2-OD1 2.78Å; Q78-E155 HydrophobicContact CG-CG 4.48Å; Q78-E155 VanDerWaalsContact OE1-CD 3.3Å
79P87.8Confident92.6Very high64 Ų6418.6 Ų18.642%0.41612%0.118SC..Hα-helixtrans-55.1-39.4-178.2-26.534.1000113A81 G82 A83 P266P79-A81 VanDerWaalsContact C-N 3.33Å; P79-A81 PolarHBondContact O-N 2.91Å; P79-G82 PolarHBondContact O-N 3.37Å; P79-A83 WeakPolarHBondContact O-CB 3.49Å; P79-A83 PolarHBondContact O-N 2.88Å; P79-P266 HydrophobicContact CB-CB 4.19Å; P79-P266 HydrophobicContact CB-CG 3.78Å
80V90.4Very high92.5Very high3 Ų319.7 Ų19.72%0.01812%0.116CC..Hα-helixtrans-63.6-37.4177.866.80000112.7Q78 Y84 C152 I252 Y269Q78-V80 HydrophobicContact CB-CG1 4.28Å; Q78-V80 PolarHBondContact O-N 2.9Å; V80-Y84 VanDerWaalsContact O-CB 3.31Å; V80-Y84 WeakPolarHBondContact O-CB 3.36Å; V80-Y84 PolarHBondContact O-N 3.45Å; V80-C152 VanDerWaalsContact CG1-SG 3.54Å; V80-I252 HydrophobicContact CB-CD1 4Å; V80-I252 HydrophobicContact CG2-CD1 3.6Å; V80-Y269 HydrophobicContact CG2-CD1 3.44Å; V80-Y269 VanDerWaalsContact CG2-CD1 3.44Å; V80-Y269 HydrophobicContact CG2-CE1 3.68Å; V80-Y269 HydrophobicContact CG2-CG 4.46Å
81A91.8Very high92.3Very high0 Ų021.1 Ų21.10%013%0.129CC..Hα-helixtrans-71.7-39.4178.200000111.1I73 G75 Q78 P79 Y84 A85 C152I73-A81 HydrophobicContact CG2-CB 4.19Å; G75-A81 WeakPolarHBondContact O-CB 3.41Å; Q78-A81 HydrophobicContact CB-CB 4.24Å; Q78-A81 WeakPolarHBondContact O-CB 3.3Å; Q78-A81 PolarHBondContact O-N 3.3Å; P79-A81 VanDerWaalsContact C-N 3.33Å; P79-A81 PolarHBondContact O-N 2.91Å; A81-Y84 PolarHBondContact O-N 3.37Å; A81-A85 WeakPolarHBondContact O-CB 3.27Å; A81-A85 PolarHBondContact O-N 2.66Å; A81-C152 HydrophobicContact CB-CB 3.71Å
82G92.2Very high92.2Very high25 Ų2523.1 Ų23.126%0.25815%0.15SC..Hα-helixtrans-60.8-49.1173.300000112.2Q78 P79 Y84 A85 E86Q78-G82 PolarHBondContact O-N 3.2Å; P79-G82 PolarHBondContact O-N 3.37Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-Y84 PolarHBondContact O-N 3.26Å; G82-A85 WeakPolarHBondContact O-CB 3.3Å; G82-A85 PolarHBondContact O-N 3.22Å; G82-E86 PolarHBondContact O-N 2.8Å
83A94.1Very high92.2Very high6 Ų623.1 Ų23.15%0.0515%0.15CC..Hα-helixtrans-63.1-37.4176.200000112.5P79 E86 E87 P266 A270P79-A83 WeakPolarHBondContact O-CB 3.49Å; P79-A83 PolarHBondContact O-N 2.88Å; A83-E86 WeakPolarHBondContact O-CB 3.43Å; A83-E86 PolarHBondContact O-N 2.85Å; A83-E87 PolarHBondContact O-N 3.47Å; A83-E87 VanDerWaalsContact O-N 3.1Å; A83-P266 HydrophobicContact CB-CB 3.85Å; A83-P266 WeakPolarHBondContact CB-O 3.31Å; A83-A270 VanDerWaalsContact C-CB 3.44Å; A83-A270 HydrophobicContact CB-CB 3.72Å; A83-A270 WeakPolarHBondContact O-CB 3.42Å
84Y96.1Very high92.3Very high0 Ų023.8 Ų23.80%016%0.155CC..Hα-helixtrans-65.3-41.9174.2-161.1-79.2000111.7V80 A81 G82 E86 E87 L88 V150 V202 L247 A273 V274V80-Y84 VanDerWaalsContact O-CB 3.31Å; V80-Y84 WeakPolarHBondContact O-CB 3.36Å; V80-Y84 PolarHBondContact O-N 3.45Å; A81-Y84 PolarHBondContact O-N 3.37Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-Y84 PolarHBondContact O-N 3.26Å; Y84-E86 VanDerWaalsContact C-N 3.28Å; Y84-E86 PolarHBondContact O-N 2.99Å; Y84-E87 PolarHBondContact O-N 3.05Å; Y84-L88 HydrophobicContact CD1-CD1 3.97Å; Y84-L88 HydrophobicContact CD1-CG 4.09Å; Y84-L88 HydrophobicContact CE1-CD1 3.88Å; Y84-L88 HydrophobicContact CE1-CD2 4.21Å; Y84-L88 HydrophobicContact CE1-CG 4Å; Y84-L88 WeakPolarHBondContact O-CG 3.32Å; Y84-L88 PolarHBondContact O-N 2.77Å; Y84-L88 VanDerWaalsContact O-N 3.14Å; Y84-V150 HydrophobicContact CD1-CG1 4.17Å; Y84-V150 HydrophobicContact CD1-CG2 3.86Å; Y84-V150 HydrophobicContact CE1-CG2 3.76Å; Y84-V202 HydrophobicContact CE2-CG1 4.49Å; Y84-L247 HydrophobicContact CE2-CD1 4Å; Y84-A273 HydrophobicContact CD2-CB 4.21Å; Y84-A273 HydrophobicContact CE2-CB 3.91Å; Y84-V274 HydrophobicContact CD1-CG2 4.27Å; Y84-V274 HydrophobicContact CD2-CG2 3.87Å; Y84-V274 HydrophobicContact CE1-CG2 3.93Å; Y84-V274 HydrophobicContact CE2-CG2 3.49Å; Y84-V274 VanDerWaalsContact CE2-CG2 3.49Å; Y84-V274 HydrophobicContact CG-CG2 4.24Å
85A96.4Very high92.5Very high0 Ų022.6 Ų22.60%015%0.15CC..Hα-helixtrans-61.9-37.8174.600000111.8I73 A81 G82 L88 A89 I95 F97 L112I73-A85 HydrophobicContact CD1-CB 4.24Å; I73-A85 HydrophobicContact CG1-CB 3.95Å; A81-A85 WeakPolarHBondContact O-CB 3.27Å; A81-A85 PolarHBondContact O-N 2.66Å; G82-A85 WeakPolarHBondContact O-CB 3.3Å; G82-A85 PolarHBondContact O-N 3.22Å; A85-L88 PolarHBondContact O-N 3.46Å; A85-A89 WeakPolarHBondContact O-CB 3.29Å; A85-A89 PolarHBondContact O-N 2.97Å; A85-I95 HydrophobicContact CB-CG2 4.32Å; A85-F97 HydrophobicContact CB-CE1 3.73Å; A85-F97 HydrophobicContact CB-CZ 3.94Å; A85-L112 HydrophobicContact CB-CD1 4.31Å
86E95.8Very high93Very high39 Ų3921.8 Ų21.818%0.18214%0.142CC..Hα-helixtrans-62.9-44.4175.1-170.9-178.516300112.6G82 A83 Y84 L88 A89 R90 L112 Y116G82-E86 PolarHBondContact O-N 2.8Å; A83-E86 WeakPolarHBondContact O-CB 3.43Å; A83-E86 PolarHBondContact O-N 2.85Å; Y84-E86 VanDerWaalsContact C-N 3.28Å; Y84-E86 PolarHBondContact O-N 2.99Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.08Å; E86-A89 PolarHBondContact O-N 2.64Å; E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.3Å; E86-R90 IonicContact OE1-NH2 2.64Å; E86-R90 PolarHBondContact OE1-NH2 2.86Å; E86-L112 HydrophobicContact CB-CD2 3.8Å; E86-L112 HydrophobicContact CG-CD2 3.68Å; E86-Y116 HydrophobicContact CG-CE2 3.63Å; E86-Y116 WeakPolarHBondContact CG-OH 3.49Å; E86-Y116 PolarHBondContact OE1-OH 3.34Å
87E95.9Very high93.7Very high19 Ų1921.5 Ų21.59%0.08914%0.139CC..Hα-helixtrans-63.1-35.2176.2-68.3-69.1152.500112.2A83 Y84 R90 S91 A270 R271 V274A83-E87 PolarHBondContact O-N 3.47Å; A83-E87 VanDerWaalsContact O-N 3.1Å; Y84-E87 PolarHBondContact O-N 3.05Å; E87-R90 IonicContact OE1-CZ 3.3Å; E87-R90 IonicContact OE1-NH1 3.6Å; E87-R90 PolarHBondContact OE1-NH1 3.29Å; E87-R90 IonicContact OE2-NH1 3.98Å; E87-R90 PolarHBondContact OE2-NH1 3.42Å; E87-S91 PolarHBondContact O-N 3.4Å; E87-S91 PolarHBondContact O-OG 3.32Å; E87-A270 HydrophobicContact CG-CB 3.86Å; E87-R271 IonicContact OE1-NE 3.65Å; E87-R271 IonicContact OE1-NH2 3.65Å; E87-V274 HydrophobicContact CB-CB 4.42Å; E87-V274 HydrophobicContact CB-CG2 3.75Å; E87-V274 HydrophobicContact CG-CG2 4.43Å
88L96.6Very high94.3Very high0 Ų018.5 Ų18.50%011%0.114CC..Hα-helixtrans-68.5-44.7172.7-67.3-177.8000111.6L63 A71 I73 Y84 A85 E86 R90 S91 G92 V93 I95 F148 V150L63-L88 HydrophobicContact CD1-CD2 4Å; A71-L88 HydrophobicContact CB-CD1 3.72Å; I73-L88 HydrophobicContact CD1-CD1 4.22Å; Y84-L88 HydrophobicContact CD1-CD1 3.97Å; Y84-L88 HydrophobicContact CD1-CG 4.09Å; Y84-L88 HydrophobicContact CE1-CD1 3.88Å; Y84-L88 HydrophobicContact CE1-CD2 4.21Å; Y84-L88 HydrophobicContact CE1-CG 4Å; Y84-L88 WeakPolarHBondContact O-CG 3.32Å; Y84-L88 PolarHBondContact O-N 2.77Å; Y84-L88 VanDerWaalsContact O-N 3.14Å; A85-L88 PolarHBondContact O-N 3.46Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.08Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.93Å; L88-S91 CarbonylContact O-C 3.5Å; L88-S91 WeakPolarHBondContact O-CA 3.4Å; L88-S91 WeakPolarHBondContact O-CB 3.43Å; L88-S91 PolarHBondContact O-N 2.96Å; L88-G92 PolarHBondContact O-N 3.13Å; L88-V93 HydrophobicContact CB-CB 4.13Å; L88-V93 HydrophobicContact CB-CG2 4.46Å; L88-V93 WeakPolarHBondContact O-CB 3.38Å; L88-V93 WeakPolarHBondContact O-CG2 3.45Å; L88-V93 PolarHBondContact O-N 2.92Å; L88-V93 VanDerWaalsContact O-N 3.09Å; L88-I95 HydrophobicContact CB-CD1 4.08Å; L88-F148 HydrophobicContact CD2-CD1 4.34Å; L88-F148 HydrophobicContact CD2-CE1 4.29Å; L88-V150 HydrophobicContact CD1-CG2 4.19Å
89A96.7Very high94.5Very high1 Ų118 Ų181%0.00811%0.113CC..Hα-helixtrans-60.7-41.5176.500000111.9A85 E86 S91 G92 V93 I95 L112 Y116 V118A85-A89 WeakPolarHBondContact O-CB 3.29Å; A85-A89 PolarHBondContact O-N 2.97Å; E86-A89 PolarHBondContact O-N 2.64Å; A89-S91 PolarHBondContact O-N 3.32Å; A89-S91 VanDerWaalsContact O-N 3.17Å; A89-G92 WeakPolarHBondContact O-CA 3.47Å; A89-G92 PolarHBondContact O-N 3.45Å; A89-V93 WeakPolarHBondContact CA-O 3.28Å; A89-I95 HydrophobicContact CB-CG1 4.29Å; A89-L112 HydrophobicContact CB-CB 4.4Å; A89-L112 HydrophobicContact CB-CD1 4.23Å; A89-L112 HydrophobicContact CB-CD2 4.18Å; A89-Y116 HydrophobicContact CB-CD2 3.91Å; A89-Y116 HydrophobicContact CB-CG 4.27Å; A89-V118 HydrophobicContact CB-CG2 3.88Å
90R94.9Very high94.3Very high100 Ų10019.4 Ų19.438%0.37711%0.114SC..Hα-helixtrans-59.2-26.7172.8-169.7176.7-58.1120.91.9112.9E86 E87 L88 G92 Y116E86-R90 WeakPolarHBondContact O-CB 3.44Å; E86-R90 PolarHBondContact O-N 3.3Å; E86-R90 IonicContact OE1-NH2 2.64Å; E86-R90 PolarHBondContact OE1-NH2 2.86Å; E87-R90 IonicContact OE1-CZ 3.3Å; E87-R90 IonicContact OE1-NH1 3.6Å; E87-R90 PolarHBondContact OE1-NH1 3.29Å; E87-R90 IonicContact OE2-NH1 3.98Å; E87-R90 PolarHBondContact OE2-NH1 3.42Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.93Å; R90-G92 VanDerWaalsContact C-N 3.29Å; R90-Y116 HydrophobicContact CB-CD1 4.03Å; R90-Y116 HydrophobicContact CB-CE1 3.74Å; R90-Y116 HydrophobicContact CG-CD1 4.24Å; R90-Y116 HydrophobicContact CG-CE1 3.8Å; R90-Y116 PolarHBondContact NE-OH 3.33Å; R90-Y116 PolarHBondContact NH2-OH 3.14Å
91S93.5Very high93.9Very high51 Ų5123.2 Ų23.236%0.35713%0.134SC..THydrogen-bonded Turntrans-87.57.1175-55.30000113.5E87 L88 A89E87-S91 PolarHBondContact O-N 3.4Å; E87-S91 PolarHBondContact O-OG 3.32Å; L88-S91 CarbonylContact O-C 3.5Å; L88-S91 WeakPolarHBondContact O-CA 3.4Å; L88-S91 WeakPolarHBondContact O-CB 3.43Å; L88-S91 PolarHBondContact O-N 2.96Å; A89-S91 PolarHBondContact O-N 3.32Å; A89-S91 VanDerWaalsContact O-N 3.17Å
92G95.3Very high93.1Very high42 Ų4223.5 Ų23.543%0.43314%0.137SC..THydrogen-bonded Turntrans83.813.9179.200000114.9L88 A89 R90L88-G92 PolarHBondContact O-N 3.13Å; A89-G92 WeakPolarHBondContact O-CA 3.47Å; A89-G92 PolarHBondContact O-N 3.45Å; R90-G92 VanDerWaalsContact C-N 3.29Å
93V97.6Very high92.5Very high0 Ų025 Ų250%014%0.144CC..  trans-86.8128.2179.4-175.20000109.8L63 T64 A71 L88 A89 I95 F148L63-V93 HydrophobicContact CB-CG2 4.41Å; T64-V93 HydrophobicContact CG2-CG2 3.8Å; A71-V93 HydrophobicContact CB-CG1 3.66Å; L88-V93 HydrophobicContact CB-CB 4.13Å; L88-V93 HydrophobicContact CB-CG2 4.46Å; L88-V93 WeakPolarHBondContact O-CB 3.38Å; L88-V93 WeakPolarHBondContact O-CG2 3.45Å; L88-V93 PolarHBondContact O-N 2.92Å; L88-V93 VanDerWaalsContact O-N 3.09Å; A89-V93 WeakPolarHBondContact CA-O 3.28Å; V93-I95 HydrophobicContact CG1-CD1 4.49Å; V93-I95 WeakPolarHBondContact O-CD1 3.46Å; V93-F148 HydrophobicContact CG1-CD2 3.77Å; V93-F148 HydrophobicContact CG1-CE2 3.87Å; V93-F148 HydrophobicContact CG2-CD2 4.47Å; V93-F148 HydrophobicContact CG2-CE2 3.79Å; V93-F148 HydrophobicContact CG2-CZ 4.3Å
94S98Very high91.8Very high15 Ų1527.6 Ų27.611%0.10516%0.162CC..EExtended strand (participates in β ladder)trans-77.4145.9175.8-650000111.3D69 W70 A71 E119D69-S94 PolarHBondContact O-N 2.77Å; W70-S94 CarbonylContact C-O 3.51Å; W70-S94 WeakPolarHBondContact CA-O 3.49Å; W70-S94 VanDerWaalsContact CE3-CB 3.48Å; A71-S94 PolarHBondContact N-O 2.8Å; S94-E119 CarbonylContact C-O 3.47Å; S94-E119 WeakPolarHBondContact CA-O 3.33Å; S94-E119 VanDerWaalsContact CB-O 3.3Å; S94-E119 WeakPolarHBondContact CB-O 3.28Å; S94-E119 PolarHBondContact OG-N 3.33Å
95I97.9Very high91.3Very high0 Ų027.8 Ų27.80%016%0.163CC..EExtended strand (participates in β ladder)trans-117.5130.6-165.9-50.1-59.5000112.1A71 I73 A85 L88 A89 V93 F97 L112 E119 T120 T121A71-I95 HydrophobicContact CB-CD1 3.87Å; A71-I95 CarbonylContact O-C 3.57Å; A71-I95 WeakPolarHBondContact O-CA 3.24Å; I73-I95 HydrophobicContact CG1-CG2 3.64Å; A85-I95 HydrophobicContact CB-CG2 4.32Å; L88-I95 HydrophobicContact CB-CD1 4.08Å; A89-I95 HydrophobicContact CB-CG1 4.29Å; V93-I95 HydrophobicContact CG1-CD1 4.49Å; V93-I95 WeakPolarHBondContact O-CD1 3.46Å; I95-F97 HydrophobicContact CB-CE2 4.17Å; I95-F97 HydrophobicContact CB-CZ 4.33Å; I95-F97 HydrophobicContact CG2-CD1 3.92Å; I95-F97 HydrophobicContact CG2-CD2 3.93Å; I95-F97 HydrophobicContact CG2-CE1 3.63Å; I95-F97 HydrophobicContact CG2-CE2 3.6Å; I95-F97 HydrophobicContact CG2-CG 4.11Å; I95-F97 HydrophobicContact CG2-CZ 3.48Å; I95-F97 VanDerWaalsContact CG2-CZ 3.48Å; I95-L112 HydrophobicContact CG1-CD1 4.21Å; I95-E119 PolarHBondContact N-O 3.43Å; I95-T120 HydrophobicContact CB-CG2 4.41Å; I95-T120 CarbonylContact O-C 3.51Å; I95-T120 VanDerWaalsContact O-CA 3.24Å; I95-T120 WeakPolarHBondContact O-CA 3.45Å; I95-T121 PolarHBondContact O-N 2.86Å
96I96.7Very high91Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-109.7108.2168.1-50.9177000107.8W70 A71 V72 I73 T121 V123 L141 K144W70-I96 HydrophobicContact CE3-CD1 3.93Å; W70-I96 HydrophobicContact CE3-CG1 3.51Å; W70-I96 HydrophobicContact CZ3-CD1 4.42Å; W70-I96 HydrophobicContact CZ3-CG1 3.81Å; A71-I96 PolarHBondContact O-N 3.19Å; V72-I96 WeakPolarHBondContact CA-O 3.47Å; V72-I96 HydrophobicContact CG2-CB 4.38Å; V72-I96 HydrophobicContact CG2-CD1 4.31Å; I73-I96 PolarHBondContact N-O 3.31Å; I96-T121 CarbonylContact C-O 3.14Å; I96-T121 WeakPolarHBondContact CA-O 3.28Å; I96-V123 HydrophobicContact CG2-CG2 3.81Å; I96-L141 HydrophobicContact CD1-CD2 3.81Å; I96-K144 HydrophobicContact CD1-CD 3.57Å; I96-K144 HydrophobicContact CG1-CD 4.48Å
97F95.5Very high90.7Very high2 Ų239 Ų391%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-85.1129.2175-68.3-66.2000110.6I73 A76 A85 I95 V105 A109 L112 T121 V122 V123I73-F97 HydrophobicContact CB-CD1 3.94Å; I73-F97 HydrophobicContact CB-CE1 4.21Å; I73-F97 HydrophobicContact CG1-CD1 4.36Å; I73-F97 HydrophobicContact CG1-CE1 4.27Å; I73-F97 HydrophobicContact CG2-CD1 4.33Å; I73-F97 HydrophobicContact CG2-CE1 4.39Å; A76-F97 HydrophobicContact CB-CB 4.39Å; A76-F97 HydrophobicContact CB-CD1 3.39Å; A76-F97 HydrophobicContact CB-CE1 3.99Å; A76-F97 HydrophobicContact CB-CG 4.27Å; A85-F97 HydrophobicContact CB-CE1 3.73Å; A85-F97 HydrophobicContact CB-CZ 3.94Å; I95-F97 HydrophobicContact CB-CE2 4.17Å; I95-F97 HydrophobicContact CB-CZ 4.33Å; I95-F97 HydrophobicContact CG2-CD1 3.92Å; I95-F97 HydrophobicContact CG2-CD2 3.93Å; I95-F97 HydrophobicContact CG2-CE1 3.63Å; I95-F97 HydrophobicContact CG2-CE2 3.6Å; I95-F97 HydrophobicContact CG2-CG 4.11Å; I95-F97 HydrophobicContact CG2-CZ 3.48Å; I95-F97 VanDerWaalsContact CG2-CZ 3.48Å; F97-V105 HydrophobicContact CB-CG2 4.35Å; F97-A109 HydrophobicContact CD2-CB 3.9Å; F97-A109 HydrophobicContact CE2-CB 3.92Å; F97-L112 HydrophobicContact CE2-CD1 4.05Å; F97-L112 HydrophobicContact CZ-CD1 3.62Å; F97-T121 PolarHBondContact N-O 2.91Å; F97-V122 HydrophobicContact CB-CG2 4.4Å; F97-V122 HydrophobicContact CD2-CG2 4.44Å; F97-V123 PolarHBondContact O-N 2.8Å
98I92.5Very high90.5Very high0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-114.3119.1173.7-56.6174.5000108.2V72 I73 Y74 V123 A125 F127 V137 M185V72-I98 HydrophobicContact CG1-CD1 3.27Å; V72-I98 HydrophobicContact CG1-CG1 4.03Å; I73-I98 PolarHBondContact O-N 2.84Å; Y74-I98 HydrophobicContact CD2-CB 4.09Å; Y74-I98 HydrophobicContact CD2-CG2 3.81Å; Y74-I98 HydrophobicContact CE2-CG2 4.31Å; I98-V123 WeakPolarHBondContact CA-O 3.32Å; I98-V123 HydrophobicContact CG1-CB 4.47Å; I98-A125 HydrophobicContact CG2-CB 3.85Å; I98-F127 HydrophobicContact CG2-CE2 3.96Å; I98-V137 HydrophobicContact CD1-CB 4.34Å; I98-V137 HydrophobicContact CD1-CG1 3.55Å; I98-V137 HydrophobicContact CD1-CG2 3.82Å; I98-V137 HydrophobicContact CG1-CG2 4.35Å; I98-V137 HydrophobicContact CG2-CG2 4.05Å; I98-M185 HydrophobicContact CD1-CE 3.29Å; I98-M185 HydrophobicContact CD1-SD 3.6Å
99T88.8Confident90.3Very high12 Ų1240.3 Ų40.37%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-143.7156.5-175.6-1770000111D101 V105 V122 V123 T124 A125T99-D101 VanDerWaalsContact CG2-O 3.23Å; T99-D101 WeakPolarHBondContact CG2-O 3.27Å; T99-D101 PolarHBondContact OG1-N 2.64Å; T99-D101 PolarHBondContact OG1-O 3.48Å; T99-V105 HydrophobicContact CG2-CG2 3.49Å; T99-V105 VanDerWaalsContact CG2-CG2 3.49Å; T99-V122 HydrophobicContact CG2-CG1 4.13Å; T99-V123 PolarHBondContact N-O 3.3Å; T99-V123 VanDerWaalsContact N-O 3.15Å; T99-T124 CarbonylContact O-C 3.5Å; T99-T124 VanDerWaalsContact O-CA 3.3Å; T99-T124 WeakPolarHBondContact O-CA 3.48Å; T99-A125 PolarHBondContact O-N 3.28Å
100Q84.1Confident90.2Very high92 Ų9243 Ų4343%0.4325%0.246SC..SBendtrans-75.1-35.3169.6-174.6178.33.800111.2T124 D126Q100-T124 WeakPolarHBondContact O-CG2 3.18Å; Q100-D126 HydrophobicContact CG-CB 4.09Å; Q100-D126 PolarHBondContact NE2-OD2 2.64Å
101D82Confident90.2Very high84 Ų8442.9 Ų42.945%0.44925%0.249SC..  trans-114.7102.817917610.5000110T99 S103 S104T99-D101 VanDerWaalsContact CG2-O 3.23Å; T99-D101 WeakPolarHBondContact CG2-O 3.27Å; T99-D101 PolarHBondContact OG1-N 2.64Å; T99-D101 PolarHBondContact OG1-O 3.48Å; D101-S103 PolarHBondContact O-N 3.4Å; D101-S103 VanDerWaalsContact O-N 3.14Å; D101-S103 WeakPolarHBondContact OD1-CB 3.39Å; D101-S103 PolarHBondContact OD1-N 3.32Å; D101-S103 PolarHBondContact OD1-OG 3.02Å; D101-S103 PolarHBondContact OD2-OG 2.94Å; D101-S104 PolarHBondContact O-N 2.99Å; D101-S104 PolarHBondContact O-OG 2.97Å
102G75.7Confident90.3Very high6 Ų640.7 Ų40.76%0.06223%0.233CC..THydrogen-bonded Turntrans-61.2-19.6179.600000114.2R106G102-R106 WeakPolarHBondContact O-CG 3.41Å
103S78.8Confident90.4Very high57 Ų5740.9 Ų40.940%0.39923%0.227SC..THydrogen-bonded Turntrans-72.3-38.5178.473.30000112.6D101 V105 R106D101-S103 PolarHBondContact O-N 3.4Å; D101-S103 VanDerWaalsContact O-N 3.14Å; D101-S103 WeakPolarHBondContact OD1-CB 3.39Å; D101-S103 PolarHBondContact OD1-N 3.32Å; D101-S103 PolarHBondContact OD1-OG 3.02Å; D101-S103 PolarHBondContact OD2-OG 2.94Å; S103-V105 PolarHBondContact O-N 3.46Å; S103-R106 VanDerWaalsContact CA-NH2 3.3Å; S103-R106 VanDerWaalsContact CB-NH2 3.28Å; S103-R106 PolarHBondContact O-N 3.41Å
104S78.1Confident90.3Very high60 Ų6048.8 Ų48.842%0.4226%0.264SS..THydrogen-bonded Turntrans-57.7-24.1-175.264.50000115.5D101D101-S104 PolarHBondContact O-N 2.99Å; D101-S104 PolarHBondContact O-OG 2.97Å
105V86.9Confident90.3Very high4 Ų451.6 Ų51.62%0.02428%0.281CS..THydrogen-bonded Turntrans-123.31.8-172.7-74.10000113.8A76 F97 T99 S103 A108 A109 V122A76-V105 HydrophobicContact CB-CG1 3.78Å; F97-V105 HydrophobicContact CB-CG2 4.35Å; T99-V105 HydrophobicContact CG2-CG2 3.49Å; T99-V105 VanDerWaalsContact CG2-CG2 3.49Å; S103-V105 PolarHBondContact O-N 3.46Å; V105-A108 PolarHBondContact O-N 2.95Å; V105-A109 WeakPolarHBondContact O-CB 3.47Å; V105-A109 PolarHBondContact O-N 2.95Å; V105-V122 HydrophobicContact CG2-CG1 3.84Å; V105-V122 HydrophobicContact CG2-CG2 4.48Å
106R88.9Confident90.2Very high140 Ų14054.5 Ų54.553%0.52829%0.292SS..Hα-helixtrans-64.5-40.9178.8-97.2-172.7-67.4-105.911112.5G102 S103 A109 S110G102-R106 WeakPolarHBondContact O-CG 3.41Å; S103-R106 VanDerWaalsContact CA-NH2 3.3Å; S103-R106 VanDerWaalsContact CB-NH2 3.28Å; S103-R106 PolarHBondContact O-N 3.41Å; R106-A109 PolarHBondContact O-N 3.45Å; R106-S110 WeakPolarHBondContact O-CB 3.33Å; R106-S110 PolarHBondContact O-N 3.18Å; R106-S110 PolarHBondContact O-OG 2.64Å
107D90.6Very high90.2Very high135 Ų13557.9 Ų57.972%0.72233%0.327SS*.Hα-helixtrans-67.9-43.1179.2-63.3-15.1000110.4S110 F111D107-S110 PolarHBondContact O-N 3.42Å; D107-F111 VanDerWaalsContact O-CB 3.3Å; D107-F111 WeakPolarHBondContact O-CB 3.45Å; D107-F111 PolarHBondContact O-N 2.96Å
108A90.8Very high90.2Very high42 Ų4258.2 Ų58.235%0.34733%0.329SS..Hα-helixtrans-61.1-45.5174.400000111.8V105 S110 F111 L112V105-A108 PolarHBondContact O-N 2.95Å; A108-S110 PolarHBondContact O-N 2.75Å; A108-F111 PolarHBondContact O-N 2.92Å; A108-L112 WeakPolarHBondContact O-CG 3.49Å; A108-L112 PolarHBondContact O-N 3.25Å
109A93.7Very high90.5Very high4 Ų463.8 Ų63.83%0.03336%0.355CS..Hα-helixtrans-59.7-46.9176.200000111.9F97 V105 R106 F111 L112 S113 T120 V122F97-A109 HydrophobicContact CD2-CB 3.9Å; F97-A109 HydrophobicContact CE2-CB 3.92Å; V105-A109 WeakPolarHBondContact O-CB 3.47Å; V105-A109 PolarHBondContact O-N 2.95Å; R106-A109 PolarHBondContact O-N 3.45Å; A109-F111 VanDerWaalsContact C-N 3.35Å; A109-F111 PolarHBondContact O-N 3.15Å; A109-L112 PolarHBondContact O-N 3.02Å; A109-S113 PolarHBondContact O-N 3.22Å; A109-T120 WeakPolarHBondContact O-CG2 3.43Å; A109-T120 PolarHBondContact O-OG1 3.09Å; A109-V122 HydrophobicContact CB-CG2 3.75Å
110S94.7Very high90.8Very high57 Ų5765 Ų6540%0.39936%0.363SS..Hα-helixtrans-62.6-43.1178.3-55.70000111.5R106 D107 A108 S113 Q114R106-S110 WeakPolarHBondContact O-CB 3.33Å; R106-S110 PolarHBondContact O-N 3.18Å; R106-S110 PolarHBondContact O-OG 2.64Å; D107-S110 PolarHBondContact O-N 3.42Å; A108-S110 PolarHBondContact O-N 2.75Å; S110-S113 PolarHBondContact O-N 2.91Å; S110-Q114 WeakPolarHBondContact O-CB 3.49Å; S110-Q114 VanDerWaalsContact O-CG 3.28Å; S110-Q114 WeakPolarHBondContact O-CG 3.42Å; S110-Q114 PolarHBondContact O-N 3.48Å
111F94.6Very high91.3Very high98 Ų9862.8 Ų62.843%0.4336%0.356SS..Hα-helixtrans-59.3-48175.6170.3-102.3000112D107 A108 A109 S113 Q114 T115 Y116D107-F111 VanDerWaalsContact O-CB 3.3Å; D107-F111 WeakPolarHBondContact O-CB 3.45Å; D107-F111 PolarHBondContact O-N 2.96Å; A108-F111 PolarHBondContact O-N 2.92Å; A109-F111 VanDerWaalsContact C-N 3.35Å; A109-F111 PolarHBondContact O-N 3.15Å; F111-S113 PolarHBondContact O-N 2.72Å; F111-Q114 PolarHBondContact O-N 2.75Å; F111-T115 WeakPolarHBondContact CD2-OG1 3.48Å; F111-T115 WeakPolarHBondContact CE2-OG1 3.4Å; F111-T115 HydrophobicContact CZ-CG2 4.38Å; F111-T115 WeakPolarHBondContact O-CB 3.44Å; F111-T115 PolarHBondContact O-N 3.1Å; F111-T115 PolarHBondContact O-OG1 3.26Å; F111-Y116 HydrophobicContact CE1-CE2 4.5Å
112L95.9Very high91.9Very high4 Ų461 Ų612%0.02135%0.347CS..Hα-helixtrans-63.5-42.4179.3-67.6-172.8000111.9A85 E86 A89 I95 F97 A108 A109 Y116 T120A85-L112 HydrophobicContact CB-CD1 4.31Å; E86-L112 HydrophobicContact CB-CD2 3.8Å; E86-L112 HydrophobicContact CG-CD2 3.68Å; A89-L112 HydrophobicContact CB-CB 4.4Å; A89-L112 HydrophobicContact CB-CD1 4.23Å; A89-L112 HydrophobicContact CB-CD2 4.18Å; I95-L112 HydrophobicContact CG1-CD1 4.21Å; F97-L112 HydrophobicContact CE2-CD1 4.05Å; F97-L112 HydrophobicContact CZ-CD1 3.62Å; A108-L112 WeakPolarHBondContact O-CG 3.49Å; A108-L112 PolarHBondContact O-N 3.25Å; A109-L112 PolarHBondContact O-N 3.02Å; L112-Y116 HydrophobicContact CD2-CD2 3.9Å; L112-Y116 HydrophobicContact CD2-CE2 3.75Å; L112-Y116 WeakPolarHBondContact O-CB 3.24Å; L112-Y116 PolarHBondContact O-N 2.88Å; L112-T120 HydrophobicContact CB-CG2 4.06Å
113S96.1Very high92.8Very high46 Ų4661.4 Ų61.432%0.32235%0.349SS..Hα-helixtrans-63.6-46178.8-174.70000112A109 S110 F111 G117 V118A109-S113 PolarHBondContact O-N 3.22Å; S110-S113 PolarHBondContact O-N 2.91Å; F111-S113 PolarHBondContact O-N 2.72Å; S113-G117 VanDerWaalsContact O-CA 3.24Å; S113-G117 WeakPolarHBondContact O-CA 3.39Å; S113-G117 PolarHBondContact O-N 3.08Å; S113-V118 VanDerWaalsContact CA-O 3.32Å; S113-V118 WeakPolarHBondContact CA-O 3.49Å; S113-V118 WeakPolarHBondContact CB-O 3.48Å; S113-V118 PolarHBondContact OG-O 3.22Å
114Q96.4Very high93.3Very high167 Ų16762.8 Ų62.878%0.7836%0.355SS*.Hα-helixtrans-70.4-38.4-179.2-69.9173.311.600112.8S110 F111S110-Q114 WeakPolarHBondContact O-CB 3.49Å; S110-Q114 VanDerWaalsContact O-CG 3.28Å; S110-Q114 WeakPolarHBondContact O-CG 3.42Å; S110-Q114 PolarHBondContact O-N 3.48Å; F111-Q114 PolarHBondContact O-N 2.75Å
115T97Very high93.8Very high74 Ų7460.1 Ų60.145%0.45434%0.336SS..Hα-helixtrans-79.9-39.4-173.6-54.90000112.1F111F111-T115 WeakPolarHBondContact CD2-OG1 3.48Å; F111-T115 WeakPolarHBondContact CE2-OG1 3.4Å; F111-T115 HydrophobicContact CZ-CG2 4.38Å; F111-T115 WeakPolarHBondContact O-CB 3.44Å; F111-T115 PolarHBondContact O-N 3.1Å; F111-T115 PolarHBondContact O-OG1 3.26Å
116Y96.4Very high93.6Very high61 Ų6161.8 Ų61.824%0.23935%0.345CS..Hα-helixtrans-110.6-4.8-172.7-57.6-68.8000113.8E86 A89 R90 F111 L112 V118E86-Y116 HydrophobicContact CG-CE2 3.63Å; E86-Y116 WeakPolarHBondContact CG-OH 3.49Å; E86-Y116 PolarHBondContact OE1-OH 3.34Å; A89-Y116 HydrophobicContact CB-CD2 3.91Å; A89-Y116 HydrophobicContact CB-CG 4.27Å; R90-Y116 HydrophobicContact CB-CD1 4.03Å; R90-Y116 HydrophobicContact CB-CE1 3.74Å; R90-Y116 HydrophobicContact CG-CD1 4.24Å; R90-Y116 HydrophobicContact CG-CE1 3.8Å; R90-Y116 PolarHBondContact NE-OH 3.33Å; R90-Y116 PolarHBondContact NH2-OH 3.14Å; F111-Y116 HydrophobicContact CE1-CE2 4.5Å; L112-Y116 HydrophobicContact CD2-CD2 3.9Å; L112-Y116 HydrophobicContact CD2-CE2 3.75Å; L112-Y116 WeakPolarHBondContact O-CB 3.24Å; L112-Y116 PolarHBondContact O-N 2.88Å; Y116-V118 PolarHBondContact O-N 3.23Å
117G95.8Very high93.2Very high70 Ų7055.4 Ų55.472%0.72232%0.321SS*.  trans6719.8179.800000113.9S113S113-G117 VanDerWaalsContact O-CA 3.24Å; S113-G117 WeakPolarHBondContact O-CA 3.39Å; S113-G117 PolarHBondContact O-N 3.08Å
118V97Very high92.5Very high10 Ų1049.9 Ų49.96%0.06129%0.293CS..  trans-92158.1178.3-60.20000111.1A89 S113 Y116 T120A89-V118 HydrophobicContact CB-CG2 3.88Å; S113-V118 VanDerWaalsContact CA-O 3.32Å; S113-V118 WeakPolarHBondContact CA-O 3.49Å; S113-V118 WeakPolarHBondContact CB-O 3.48Å; S113-V118 PolarHBondContact OG-O 3.22Å; Y116-V118 PolarHBondContact O-N 3.23Å; V118-T120 HydrophobicContact CG2-CG2 4.37Å
119E97.3Very high91.4Very high117 Ų11754.3 Ų54.355%0.54731%0.311SS..  trans-78.3141.2171.6-66.8-177.9-137.600110.5W70 S94 I95W70-E119 HydrophobicContact CH2-CB 3.39Å; W70-E119 HydrophobicContact CH2-CG 4.31Å; W70-E119 WeakPolarHBondContact CH2-OE2 3.43Å; W70-E119 HydrophobicContact CZ2-CB 3.87Å; W70-E119 HydrophobicContact CZ2-CG 4.41Å; W70-E119 VanDerWaalsContact CZ2-OE2 3.26Å; W70-E119 WeakPolarHBondContact CZ2-OE2 3.32Å; W70-E119 HydrophobicContact CZ3-CB 4.2Å; S94-E119 CarbonylContact C-O 3.47Å; S94-E119 WeakPolarHBondContact CA-O 3.33Å; S94-E119 VanDerWaalsContact CB-O 3.3Å; S94-E119 WeakPolarHBondContact CB-O 3.28Å; S94-E119 PolarHBondContact OG-N 3.33Å; I95-E119 PolarHBondContact N-O 3.43Å
120T96.6Very high90.1Very high37 Ų3755.4 Ų55.423%0.22732%0.322CS..EExtended strand (participates in β ladder)trans-130136.1174.561.50000111I95 A109 L112 V118I95-T120 HydrophobicContact CB-CG2 4.41Å; I95-T120 CarbonylContact O-C 3.51Å; I95-T120 VanDerWaalsContact O-CA 3.24Å; I95-T120 WeakPolarHBondContact O-CA 3.45Å; A109-T120 WeakPolarHBondContact O-CG2 3.43Å; A109-T120 PolarHBondContact O-OG1 3.09Å; L112-T120 HydrophobicContact CB-CG2 4.06Å; V118-T120 HydrophobicContact CG2-CG2 4.37Å
121T95Very high88.9Confident46 Ų4660.6 Ų60.628%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-128.1133.6175.7-55.30000109.2I95 I96 F97 V123I95-T121 PolarHBondContact O-N 2.86Å; I96-T121 CarbonylContact C-O 3.14Å; I96-T121 WeakPolarHBondContact CA-O 3.28Å; F97-T121 PolarHBondContact N-O 2.91Å; T121-V123 HydrophobicContact CG2-CG2 4.2Å
122V94.4Very high87.8Confident46 Ų4658.9 Ų58.928%0.27934%0.344SS..EExtended strand (participates in β ladder)trans-107.5123.9174.5-177.90000108.7F97 T99 V105 A109F97-V122 HydrophobicContact CB-CG2 4.4Å; F97-V122 HydrophobicContact CD2-CG2 4.44Å; T99-V122 HydrophobicContact CG2-CG1 4.13Å; V105-V122 HydrophobicContact CG2-CG1 3.84Å; V105-V122 HydrophobicContact CG2-CG2 4.48Å; A109-V122 HydrophobicContact CB-CG2 3.75Å
123V92.9Very high86.9Confident14 Ų1459.1 Ų59.19%0.08535%0.346CS..EExtended strand (participates in β ladder)trans-116120.5179.2-177.10000108.6I96 F97 I98 T99 T121 P136 V137 A140I96-V123 HydrophobicContact CG2-CG2 3.81Å; F97-V123 PolarHBondContact O-N 2.8Å; I98-V123 WeakPolarHBondContact CA-O 3.32Å; I98-V123 HydrophobicContact CG1-CB 4.47Å; T99-V123 PolarHBondContact N-O 3.3Å; T99-V123 VanDerWaalsContact N-O 3.15Å; T121-V123 HydrophobicContact CG2-CG2 4.2Å; V123-P136 HydrophobicContact CG1-CB 4.16Å; V123-V137 HydrophobicContact CG1-CG2 4.29Å; V123-A140 HydrophobicContact CG2-CB 3.44Å; V123-A140 VanDerWaalsContact CG2-CB 3.44Å
124T90.1Very high86.3Confident86 Ų8657.7 Ų57.753%0.52834%0.337SS..EExtended strand (participates in β ladder)trans-82.9116.8173.9-52.20000109.3T99 Q100T99-T124 CarbonylContact O-C 3.5Å; T99-T124 VanDerWaalsContact O-CA 3.3Å; T99-T124 WeakPolarHBondContact O-CA 3.48Å; Q100-T124 WeakPolarHBondContact O-CG2 3.18Å
125A87.7Confident85.9Confident4 Ų457 Ų573%0.03333%0.332CS..  trans-144.3119.2178.200000110.5I98 T99 F127 A133 P136 V137I98-A125 HydrophobicContact CG2-CB 3.85Å; T99-A125 PolarHBondContact O-N 3.28Å; A125-F127 HydrophobicContact CB-CD2 4.42Å; A125-F127 HydrophobicContact CB-CE2 3.88Å; A125-A133 HydrophobicContact CB-CB 4.25Å; A125-P136 HydrophobicContact CB-CG 4.45Å; A125-V137 HydrophobicContact CB-CG2 3.84Å
126D84Confident85.5Confident40 Ų4055.7 Ų55.721%0.21433%0.325CS..  trans-100.799.3179.1-169.4-11.1000111.6Q100 S128 L129 A133Q100-D126 HydrophobicContact CG-CB 4.09Å; Q100-D126 PolarHBondContact NE2-OD2 2.64Å; D126-S128 PolarHBondContact O-N 2.83Å; D126-S128 VanDerWaalsContact OD1-CB 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.11Å; D126-S128 PolarHBondContact OD1-N 2.82Å; D126-S128 PolarHBondContact OD1-OG 2.95Å; D126-S128 PolarHBondContact OD2-OG 3.5Å; D126-L129 HydrophobicContact CB-CD1 4.28Å; D126-L129 PolarHBondContact O-N 3.4Å; D126-A133 WeakPolarHBondContact O-CB 3.41Å
127F80.6Confident85.3Confident5 Ų552.8 Ų52.82%0.02231%0.313CS..G310 helixtrans-74.7-6.9-179.7-72.7-89000114.1Y74 I98 A125 L129 G130 A133 V137 N176 A181 L184 M185Y74-F127 HydrophobicContact CD2-CD2 4.38Å; Y74-F127 HydrophobicContact CD2-CE2 4.13Å; Y74-F127 AromaticContact CE2-CD2 3.54Å; Y74-F127 HydrophobicContact CE2-CD2 3.54Å; Y74-F127 AromaticContact CE2-CE2 3.73Å; Y74-F127 HydrophobicContact CE2-CE2 3.73Å; I98-F127 HydrophobicContact CG2-CE2 3.96Å; A125-F127 HydrophobicContact CB-CD2 4.42Å; A125-F127 HydrophobicContact CB-CE2 3.88Å; F127-L129 PolarHBondContact O-N 3.29Å; F127-G130 PolarHBondContact O-N 3.21Å; F127-A133 HydrophobicContact CD1-CB 3.83Å; F127-A133 HydrophobicContact CD2-CB 4.15Å; F127-A133 HydrophobicContact CE1-CB 3.97Å; F127-A133 HydrophobicContact CE2-CB 4.29Å; F127-A133 HydrophobicContact CG-CB 3.94Å; F127-A133 HydrophobicContact CZ-CB 4.21Å; F127-V137 HydrophobicContact CZ-CG2 4.25Å; F127-N176 WeakPolarHBondContact O-CB 3.49Å; F127-A181 HydrophobicContact CB-CB 3.84Å; F127-A181 HydrophobicContact CD1-CB 3.91Å; F127-A181 HydrophobicContact CD2-CB 4.02Å; F127-A181 HydrophobicContact CE1-CB 4.47Å; F127-A181 HydrophobicContact CG-CB 3.64Å; F127-L184 HydrophobicContact CD1-CD1 4.11Å; F127-L184 HydrophobicContact CE1-CB 4.27Å; F127-L184 HydrophobicContact CE1-CD1 4.17Å; F127-M185 HydrophobicContact CE2-SD 4.48Å; F127-M185 HydrophobicContact CZ-CG 4.41Å; F127-M185 HydrophobicContact CZ-SD 3.85Å
128S75.1Confident85.1Confident20 Ų2051.4 Ų51.414%0.1430%0.295CS..G310 helixtrans-64.3-28.6171.667.30000112D126 G130D126-S128 PolarHBondContact O-N 2.83Å; D126-S128 VanDerWaalsContact OD1-CB 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.11Å; D126-S128 PolarHBondContact OD1-N 2.82Å; D126-S128 PolarHBondContact OD1-OG 2.95Å; D126-S128 PolarHBondContact OD2-OG 3.5Å; S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 3.41Å
129L67.2Low84.9Confident135 Ų13557 Ų5771%0.70732%0.321SS*.G310 helixtrans-86.29.3-178.2-55.6175.5000113.7D126 F127D126-L129 HydrophobicContact CB-CD1 4.28Å; D126-L129 PolarHBondContact O-N 3.4Å; F127-L129 PolarHBondContact O-N 3.29Å
130G67.9Low84.6Confident27 Ų2752.4 Ų52.428%0.27830%0.303SS..  trans83.2-151.9176.800000114.8F127 S128 A132 A133F127-G130 PolarHBondContact O-N 3.21Å; S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 3.41Å; G130-A132 PolarHBondContact O-N 2.92Å; G130-A132 VanDerWaalsContact O-N 3.09Å; G130-A133 PolarHBondContact O-N 3.37Å
131Q69.1Low84.5Confident165 Ų16551.7 Ų51.777%0.77130%0.297SS*.G310 helixtrans-64.2-16.9-167.666.1-179.7-3.800115.4A133 A134Q131-A133 PolarHBondContact O-N 3.07Å; Q131-A134 VanDerWaalsContact O-CB 3.31Å; Q131-A134 WeakPolarHBondContact O-CB 3.42Å; Q131-A134 PolarHBondContact O-N 3.33Å; Q131-A134 VanDerWaalsContact O-N 3.08Å
132A71.4Confident84.5Confident63 Ų6358.6 Ų58.652%0.52132%0.318SS..G310 helixtrans-60.7-29.6-178.600000112.5G130 A134 K135G130-A132 PolarHBondContact O-N 2.92Å; G130-A132 VanDerWaalsContact O-N 3.09Å; A132-A134 PolarHBondContact O-N 3.44Å; A132-K135 PolarHBondContact O-N 2.99Å
133A77.8Confident84.3Confident8 Ų860.6 Ų60.67%0.06635%0.348CS..G310 helixtrans-64.5-19.517700000113.9A125 D126 F127 G130 Q131 K135 P136 V137A125-A133 HydrophobicContact CB-CB 4.25Å; D126-A133 WeakPolarHBondContact O-CB 3.41Å; F127-A133 HydrophobicContact CD1-CB 3.83Å; F127-A133 HydrophobicContact CD2-CB 4.15Å; F127-A133 HydrophobicContact CE1-CB 3.97Å; F127-A133 HydrophobicContact CE2-CB 4.29Å; F127-A133 HydrophobicContact CG-CB 3.94Å; F127-A133 HydrophobicContact CZ-CB 4.21Å; G130-A133 PolarHBondContact O-N 3.37Å; Q131-A133 PolarHBondContact O-N 3.07Å; A133-K135 VanDerWaalsContact C-N 3.35Å; A133-K135 PolarHBondContact O-N 2.96Å; A133-P136 WeakPolarHBondContact O-CD 3.38Å; A133-P136 WeakPolarHBondContact O-CG 3.29Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å
134A82.6Confident84.5Confident16 Ų1662.3 Ų62.313%0.13235%0.354CS..Hα-helixtrans-72.8-25.7-179.900000113.3Q131 A132 A138 L188Q131-A134 VanDerWaalsContact O-CB 3.31Å; Q131-A134 WeakPolarHBondContact O-CB 3.42Å; Q131-A134 PolarHBondContact O-N 3.33Å; Q131-A134 VanDerWaalsContact O-N 3.08Å; A132-A134 PolarHBondContact O-N 3.44Å; A134-A138 WeakPolarHBondContact O-CB 3.41Å; A134-A138 PolarHBondContact O-N 3.37Å; A134-L188 HydrophobicContact CB-CD1 4.04Å
135K87.4Confident84.7Confident153 Ų15359.6 Ų59.667%0.66534%0.337SS*.Hα-helixtrans-63.2-56.4-177.9-70-175179.1-178.40113.8A132 A133 V137 A138 E139A132-K135 PolarHBondContact O-N 2.99Å; A133-K135 VanDerWaalsContact C-N 3.35Å; A133-K135 PolarHBondContact O-N 2.96Å; K135-V137 PolarHBondContact O-N 3.36Å; K135-A138 PolarHBondContact O-N 2.79Å; K135-A138 VanDerWaalsContact O-N 3.12Å; K135-E139 PolarHBondContact O-N 2.87Å
136P90.3Very high85.2Confident46 Ų4659.8 Ų59.830%0.29934%0.337SS..Hα-helixtrans-62.1-32.618024.7-35.4000111.9V123 A125 A133 A140V123-P136 HydrophobicContact CG1-CB 4.16Å; A125-P136 HydrophobicContact CB-CG 4.45Å; A133-P136 WeakPolarHBondContact O-CD 3.38Å; A133-P136 WeakPolarHBondContact O-CG 3.29Å; P136-A140 WeakPolarHBondContact O-CB 3.28Å; P136-A140 PolarHBondContact O-N 2.88Å; P136-A140 VanDerWaalsContact O-N 3.07Å
137V91.4Very high85.8Confident0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-62.9-53.9173177.70000110.2I98 V123 A125 F127 A133 K135 E139 A140 L141 M185 L188I98-V137 HydrophobicContact CD1-CB 4.34Å; I98-V137 HydrophobicContact CD1-CG1 3.55Å; I98-V137 HydrophobicContact CD1-CG2 3.82Å; I98-V137 HydrophobicContact CG1-CG2 4.35Å; I98-V137 HydrophobicContact CG2-CG2 4.05Å; V123-V137 HydrophobicContact CG1-CG2 4.29Å; A125-V137 HydrophobicContact CB-CG2 3.84Å; F127-V137 HydrophobicContact CZ-CG2 4.25Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å; K135-V137 PolarHBondContact O-N 3.36Å; V137-E139 PolarHBondContact O-N 2.85Å; V137-A140 WeakPolarHBondContact O-CB 3.29Å; V137-A140 PolarHBondContact O-N 3.05Å; V137-L141 HydrophobicContact CG1-CD1 4.21Å; V137-L141 HydrophobicContact CG1-CG 4.28Å; V137-L141 VanDerWaalsContact O-CG 3.32Å; V137-L141 WeakPolarHBondContact O-CG 3.34Å; V137-L141 PolarHBondContact O-N 2.9Å; V137-M185 HydrophobicContact CG1-CE 3.8Å; V137-M185 HydrophobicContact CG1-SD 3.86Å; V137-M185 HydrophobicContact CG2-SD 4.5Å; V137-L188 HydrophobicContact CB-CD1 4.18Å; V137-L188 HydrophobicContact CG1-CD1 3.85Å
138A91.4Very high86.7Confident42 Ų4257.6 Ų57.635%0.34733%0.326SS..Hα-helixtrans-57.2-36.1-179.500000113.1A134 K135 L141 R142 L188A134-A138 WeakPolarHBondContact O-CB 3.41Å; A134-A138 PolarHBondContact O-N 3.37Å; K135-A138 PolarHBondContact O-N 2.79Å; K135-A138 VanDerWaalsContact O-N 3.12Å; A138-L141 PolarHBondContact O-N 2.87Å; A138-R142 PolarHBondContact O-N 2.94Å; A138-L188 HydrophobicContact CB-CD2 4.09Å
139E92.4Very high87.8Confident128 Ų12856.7 Ų56.760%0.59832%0.319SS*.Hα-helixtrans-65.3-44.8173.8-72.1174.6178.600111.9K135 V137 L141 R142K135-E139 PolarHBondContact O-N 2.87Å; V137-E139 PolarHBondContact O-N 2.85Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 3.15Å; E139-R142 VanDerWaalsContact O-CB 3.32Å; E139-R142 WeakPolarHBondContact O-CB 3.37Å; E139-R142 PolarHBondContact O-N 2.88Å; E139-R142 VanDerWaalsContact O-N 3.15Å
140A92.6Very high89.2Confident20 Ų2050.2 Ų50.217%0.16529%0.285CS..Hα-helixtrans-65.3-26.9177.700000113.5V123 P136 V137 R142 K144V123-A140 HydrophobicContact CG2-CB 3.44Å; V123-A140 VanDerWaalsContact CG2-CB 3.44Å; P136-A140 WeakPolarHBondContact O-CB 3.28Å; P136-A140 PolarHBondContact O-N 2.88Å; P136-A140 VanDerWaalsContact O-N 3.07Å; V137-A140 WeakPolarHBondContact O-CB 3.29Å; V137-A140 PolarHBondContact O-N 3.05Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-K144 WeakPolarHBondContact O-CD 3.21Å; A140-K144 WeakPolarHBondContact O-CE 3.44Å
141L94.3Very high90.5Very high21 Ų2149 Ų4911%0.1127%0.273CS..Hα-helixtrans-79.2-16.4176.2-56.8-174.8000113.2V72 I96 V137 A138 E139 G143 K144 V146 L188 V189V72-L141 HydrophobicContact CG2-CD2 3.35Å; I96-L141 HydrophobicContact CD1-CD2 3.81Å; V137-L141 HydrophobicContact CG1-CD1 4.21Å; V137-L141 HydrophobicContact CG1-CG 4.28Å; V137-L141 VanDerWaalsContact O-CG 3.32Å; V137-L141 WeakPolarHBondContact O-CG 3.34Å; V137-L141 PolarHBondContact O-N 2.9Å; A138-L141 PolarHBondContact O-N 2.87Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 3.15Å; L141-G143 PolarHBondContact O-N 3.3Å; L141-K144 PolarHBondContact O-N 2.86Å; L141-V146 HydrophobicContact CB-CG2 4.31Å; L141-V146 HydrophobicContact CD2-CG2 3.93Å; L141-L188 HydrophobicContact CD1-CB 4.3Å; L141-V189 HydrophobicContact CD1-CG1 3.94Å
142R93.2Very high91.6Very high192 Ų19241.6 Ų41.673%0.72524%0.239SC*.THydrogen-bonded Turntrans-64.5130.2-171.8-168.7-177.5-66.21652.7111A138 E139 A140 K144A138-R142 PolarHBondContact O-N 2.94Å; E139-R142 VanDerWaalsContact O-CB 3.32Å; E139-R142 WeakPolarHBondContact O-CB 3.37Å; E139-R142 PolarHBondContact O-N 2.88Å; E139-R142 VanDerWaalsContact O-N 3.15Å; A140-R142 VanDerWaalsContact C-N 3.35Å; R142-K144 PolarHBondContact O-N 3.4Å
143G91.8Very high92.2Very high87 Ų8739.1 Ų39.190%0.89722%0.217SC*.THydrogen-bonded Turntrans73.74.1178.100000114.8L141L141-G143 PolarHBondContact O-N 3.3Å
144K95.5Very high92.2Very high51 Ų5140.1 Ų40.122%0.22222%0.221CC..SBendtrans-100.9139.9177.2-63.5-179.1-175-81.90110.6W70 I96 A140 L141 R142 V146W70-K144 HydrophobicContact CD2-CB 4.32Å; W70-K144 HydrophobicContact CD2-CD 3.81Å; W70-K144 HydrophobicContact CD2-CG 4.3Å; W70-K144 HydrophobicContact CE3-CD 3.98Å; W70-K144 HydrophobicContact CG-CB 4.02Å; W70-K144 HydrophobicContact CG-CD 4.35Å; W70-K144 HydrophobicContact CH2-CD 4.27Å; W70-K144 HydrophobicContact CZ2-CD 4.14Å; W70-K144 HydrophobicContact CZ2-CG 4.49Å; W70-K144 HydrophobicContact CZ3-CD 4.18Å; I96-K144 HydrophobicContact CD1-CD 3.57Å; I96-K144 HydrophobicContact CG1-CD 4.48Å; A140-K144 WeakPolarHBondContact O-CD 3.21Å; A140-K144 WeakPolarHBondContact O-CE 3.44Å; L141-K144 PolarHBondContact O-N 2.86Å; R142-K144 PolarHBondContact O-N 3.4Å; K144-V146 HydrophobicContact CB-CG2 4.13Å; K144-V146 PolarHBondContact O-N 3.46Å
145D96.3Very high91.5Very high29 Ų2943.3 Ų43.316%0.15523%0.233CC..  trans-77.876171.9-17726.7000110.8G68 D69 W70 G147 R196 R198G68-D145 VanDerWaalsContact CA-OD2 3.32Å; G68-D145 WeakPolarHBondContact CA-OD2 3.31Å; D69-D145 PolarHBondContact N-O 2.9Å; D69-D145 VanDerWaalsContact N-O 3.11Å; D69-D145 PolarHBondContact N-OD2 3.2Å; W70-D145 PolarHBondContact N-O 2.74Å; D145-G147 PolarHBondContact O-N 2.93Å; D145-G147 VanDerWaalsContact O-N 3.14Å; D145-R196 VanDerWaalsContact OD1-CD 3.22Å; D145-R196 WeakPolarHBondContact OD1-CD 3.25Å; D145-R196 IonicContact OD1-CZ 3.57Å; D145-R196 IonicContact OD1-NE 2.74Å; D145-R196 PolarHBondContact OD1-NE 3.44Å; D145-R196 IonicContact OD1-NH2 2.95Å; D145-R198 IonicContact OD1-NH2 2.8Å; D145-R198 IonicContact OD2-CZ 3.52Å; D145-R198 IonicContact OD2-NE 3.97Å; D145-R198 IonicContact OD2-NH2 3.79Å; D145-R198 PolarHBondContact OD2-NH2 2.82Å
146V97.6Very high90.5Very high7 Ų739.8 Ų39.84%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-71.5108179.6-178.70000109.4W70 V72 L141 K144 V189 M193 R196W70-V146 HydrophobicContact CB-CG2 4.35Å; V72-V146 HydrophobicContact CG2-CG1 3.66Å; V72-V146 HydrophobicContact CG2-CG2 4.46Å; L141-V146 HydrophobicContact CB-CG2 4.31Å; L141-V146 HydrophobicContact CD2-CG2 3.93Å; K144-V146 HydrophobicContact CB-CG2 4.13Å; K144-V146 PolarHBondContact O-N 3.46Å; V146-V189 HydrophobicContact CG1-CB 4.43Å; V146-V189 HydrophobicContact CG1-CG1 4.16Å; V146-M193 HydrophobicContact CG1-CE 4.27Å; V146-R196 PolarHBondContact O-NH2 2.98Å
147G96.9Very high89.4Confident0 Ų037.8 Ų37.80%021%0.211CC..EExtended strand (participates in β ladder)trans-106.3-20.2-178.800000114.3Y67 W70 D145 G199 A200Y67-G147 WeakPolarHBondContact O-CA 3.3Å; W70-G147 PolarHBondContact O-N 3.35Å; D145-G147 PolarHBondContact O-N 2.93Å; D145-G147 VanDerWaalsContact O-N 3.14Å; G147-G199 CarbonylContact O-C 3.57Å; G147-G199 VanDerWaalsContact O-CA 3.31Å; G147-G199 WeakPolarHBondContact O-CA 3.27Å; G147-A200 PolarHBondContact O-N 3.34Å
148F98.1Very high88.2Confident0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-128.3140.8179.1-51.4-99.7000111.7L63 Y67 G68 W70 A71 V72 L88 V93 A200 L277L63-F148 HydrophobicContact CB-CZ 3.93Å; Y67-F148 VanDerWaalsContact CB-CZ 3.42Å; Y67-F148 AromaticContact CD2-CE1 3.43Å; Y67-F148 HydrophobicContact CD2-CE1 3.43Å; Y67-F148 VanDerWaalsContact CD2-CE1 3.43Å; Y67-F148 AromaticContact CD2-CZ 3.57Å; Y67-F148 HydrophobicContact CD2-CZ 3.57Å; Y67-F148 HydrophobicContact CE2-CE1 4.28Å; Y67-F148 AromaticContact CG-CE1 3.82Å; Y67-F148 HydrophobicContact CG-CE1 3.82Å; Y67-F148 AromaticContact CG-CZ 3.9Å; Y67-F148 HydrophobicContact CG-CZ 3.9Å; G68-F148 WeakPolarHBondContact O-CE2 3.4Å; W70-F148 PolarHBondContact O-N 3.24Å; A71-F148 CarbonylContact C-O 3.48Å; A71-F148 WeakPolarHBondContact CA-O 3.38Å; A71-F148 HydrophobicContact CB-CB 3.66Å; A71-F148 HydrophobicContact CB-CD2 4.16Å; A71-F148 HydrophobicContact CB-CG 4.22Å; V72-F148 PolarHBondContact N-O 2.92Å; L88-F148 HydrophobicContact CD2-CD1 4.34Å; L88-F148 HydrophobicContact CD2-CE1 4.29Å; V93-F148 HydrophobicContact CG1-CD2 3.77Å; V93-F148 HydrophobicContact CG1-CE2 3.87Å; V93-F148 HydrophobicContact CG2-CD2 4.47Å; V93-F148 HydrophobicContact CG2-CE2 3.79Å; V93-F148 HydrophobicContact CG2-CZ 4.3Å; F148-A200 CarbonylContact C-O 3.53Å; F148-A200 VanDerWaalsContact CA-O 3.27Å; F148-A200 WeakPolarHBondContact CA-O 3.27Å; F148-A200 HydrophobicContact CD1-CB 3.77Å; F148-A200 HydrophobicContact CE1-CB 4.15Å; F148-L277 HydrophobicContact CD1-CD2 4.17Å; F148-L277 HydrophobicContact CE1-CD2 3.77Å
149L97.9Very high87.5Confident0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-123.4122.4161.6170.664.4000108.4V72 M185 A186 V189 M193 A200 V201 V202V72-L149 HydrophobicContact CB-CD1 4.07Å; V72-L149 HydrophobicContact CG1-CD1 4.04Å; V72-L149 CarbonylContact O-C 3.56Å; V72-L149 WeakPolarHBondContact O-CA 3.48Å; L149-M185 HydrophobicContact CD1-CB 3.96Å; L149-M185 HydrophobicContact CD1-CE 3.88Å; L149-M185 HydrophobicContact CD2-CB 3.95Å; L149-A186 HydrophobicContact CD2-CB 4.27Å; L149-V189 HydrophobicContact CB-CG1 4.43Å; L149-V189 HydrophobicContact CB-CG2 3.88Å; L149-V189 HydrophobicContact CD2-CG1 4.45Å; L149-V189 HydrophobicContact CD2-CG2 3.57Å; L149-V189 HydrophobicContact CG-CG2 4.29Å; L149-M193 HydrophobicContact CB-CE 4.43Å; L149-A200 PolarHBondContact N-O 3.43Å; L149-V201 HydrophobicContact CB-CG1 4.38Å; L149-V201 HydrophobicContact CB-CG2 4.38Å; L149-V201 HydrophobicContact CD2-CG1 4.07Å; L149-V201 HydrophobicContact CG-CG1 4.33Å; L149-V201 CarbonylContact O-C 3.54Å; L149-V201 WeakPolarHBondContact O-CA 3.49Å; L149-V202 PolarHBondContact O-N 2.89Å
150V97.4Very high86.9Confident0 Ų039.3 Ų39.30%023%0.234CC..EExtended strand (participates in β ladder)trans-114.4112.7173.4-172.90000108V72 I73 Y74 Y84 L88 V202 I204V72-V150 PolarHBondContact O-N 3.27Å; I73-V150 HydrophobicContact CD1-CB 3.59Å; I73-V150 HydrophobicContact CD1-CG1 4.49Å; I73-V150 HydrophobicContact CD1-CG2 3.49Å; I73-V150 VanDerWaalsContact CD1-CG2 3.49Å; Y74-V150 PolarHBondContact N-O 2.9Å; Y84-V150 HydrophobicContact CD1-CG1 4.17Å; Y84-V150 HydrophobicContact CD1-CG2 3.86Å; Y84-V150 HydrophobicContact CE1-CG2 3.76Å; L88-V150 HydrophobicContact CD1-CG2 4.19Å; V150-V202 CarbonylContact C-O 3.52Å; V150-V202 VanDerWaalsContact CA-O 3.28Å; V150-V202 WeakPolarHBondContact CA-O 3.3Å; V150-V202 HydrophobicContact CG1-CB 4.47Å; V150-V202 HydrophobicContact CG2-CB 4.31Å; V150-I204 HydrophobicContact CG1-CD1 3.83Å; V150-I204 HydrophobicContact CG1-CG1 4.2Å
151N95.6Very high86.4Confident2 Ų243.9 Ų43.91%0.01125%0.246CC..EExtended strand (participates in β ladder)trans-101.2121.7171.7-62.6-51.9000108.8A182 V202 N203 I204N151-A182 HydrophobicContact CB-CB 4.24Å; N151-V202 PolarHBondContact N-O 3.26Å; N151-N203 WeakPolarHBondContact CB-OD1 3.49Å; N151-N203 PolarHBondContact ND2-OD1 3Å; N151-I204 PolarHBondContact O-N 3.29Å
152C91.4Very high86Confident8 Ų845.1 Ų45.15%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-109.7133.3172.6-167.60000111.2Y74 V80 A81 I204Y74-C152 PolarHBondContact O-N 2.8Å; V80-C152 VanDerWaalsContact CG1-SG 3.54Å; A81-C152 HydrophobicContact CB-CB 3.71Å; C152-I204 HydrophobicContact CB-CB 4.38Å; C152-I204 HydrophobicContact CB-CD1 4.4Å
153M83.9Confident85.7Confident12 Ų1239.4 Ų39.46%0.05924%0.24CC..  trans-67.7148.4173.2-170.5169.4-59.600111.6E155 L157 N178 I204 L219 F222 T223 L226M153-E155 PolarHBondContact O-N 2.82Å; M153-L157 HydrophobicContact CG-CD1 4.06Å; M153-L157 HydrophobicContact SD-CD1 4.04Å; M153-N178 VanDerWaalsContact CG-OD1 3.25Å; M153-N178 WeakPolarHBondContact CG-OD1 3.3Å; M153-I204 PolarHBondContact N-O 3.13Å; M153-L219 HydrophobicContact SD-CD1 3.67Å; M153-F222 HydrophobicContact CE-CB 3.64Å; M153-F222 HydrophobicContact SD-CB 4.02Å; M153-T223 HydrophobicContact CE-CG2 3.46Å; M153-T223 VanDerWaalsContact CE-CG2 3.46Å; M153-T223 HydrophobicContact SD-CG2 3.46Å; M153-T223 WeakPolarHBondContact SD-CG2 3.38Å; M153-L226 HydrophobicContact CB-CD1 4.46Å; M153-L226 HydrophobicContact CE-CD1 3.43Å; M153-L226 VanDerWaalsContact CE-CD1 3.43Å; M153-L226 HydrophobicContact CE-CG 4.11Å
154D77.8Confident85.6Confident28 Ų2842.8 Ų42.815%0.1524%0.236CC..  trans-68.7119.3174.3-176-2000112.1Q78 T156 L157 N178Q78-D154 PolarHBondContact NE2-OD1 2.78Å; D154-T156 PolarHBondContact O-N 3.24Å; D154-T156 WeakPolarHBondContact OD1-CB 3.45Å; D154-T156 WeakPolarHBondContact OD1-CG2 3.3Å; D154-T156 PolarHBondContact OD1-N 3.35Å; D154-T156 PolarHBondContact OD1-OG1 3.49Å; D154-T156 PolarHBondContact OD2-OG1 3.45Å; D154-L157 WeakPolarHBondContact O-CB 3.45Å; D154-L157 WeakPolarHBondContact O-CG 3.35Å; D154-L157 PolarHBondContact O-N 3.11Å; D154-N178 WeakPolarHBondContact CB-OD1 3.41Å; D154-N178 PolarHBondContact N-OD1 2.81Å
155E69Low85.3Confident83 Ų8346 Ų4639%0.38825%0.252SS..G310 helixtrans-71.3-12.7178.3-68.1-177.3-176.300113.6Q78 M153 L157 A158Q78-E155 HydrophobicContact CG-CG 4.48Å; Q78-E155 VanDerWaalsContact OE1-CD 3.3Å; M153-E155 PolarHBondContact O-N 2.82Å; E155-L157 PolarHBondContact O-N 3.12Å; E155-A158 WeakPolarHBondContact O-CB 3.49Å; E155-A158 PolarHBondContact O-N 3.41Å
156T65.4Low84.8Confident79 Ų7945.3 Ų45.349%0.48525%0.248SC..G310 helixtrans-60.8-17173.467.80000112.4D154 A158D154-T156 PolarHBondContact O-N 3.24Å; D154-T156 WeakPolarHBondContact OD1-CB 3.45Å; D154-T156 WeakPolarHBondContact OD1-CG2 3.3Å; D154-T156 PolarHBondContact OD1-N 3.35Å; D154-T156 PolarHBondContact OD1-OG1 3.49Å; D154-T156 PolarHBondContact OD2-OG1 3.45Å; T156-A158 VanDerWaalsContact C-N 3.26Å; T156-A158 PolarHBondContact O-N 2.95Å
157L67.9Low84.4Confident5 Ų549.2 Ų49.23%0.02627%0.273CS..G310 helixtrans-74.7-11.4171.8-61.8175.9000113.6M153 D154 E155 R174 M218 L219 F222M153-L157 HydrophobicContact CG-CD1 4.06Å; M153-L157 HydrophobicContact SD-CD1 4.04Å; D154-L157 WeakPolarHBondContact O-CB 3.45Å; D154-L157 WeakPolarHBondContact O-CG 3.35Å; D154-L157 PolarHBondContact O-N 3.11Å; E155-L157 PolarHBondContact O-N 3.12Å; L157-R174 HydrophobicContact CD2-CB 4.42Å; L157-R174 HydrophobicContact CD2-CG 4.13Å; L157-M218 HydrophobicContact CD2-CB 4.41Å; L157-L219 HydrophobicContact CB-CB 4.11Å; L157-L219 HydrophobicContact CB-CD1 3.8Å; L157-L219 HydrophobicContact CB-CG 4.48Å; L157-F222 HydrophobicContact CD1-CD2 3.54Å; L157-F222 HydrophobicContact CD1-CE2 3.95Å; L157-F222 HydrophobicContact CD2-CE2 4.46Å
158A66.8Low83.9Confident35 Ų3556.9 Ų56.929%0.28931%0.309SS..G310 helixtrans-70.6-32.2-179.900000112.4E155 T156 R216E155-A158 WeakPolarHBondContact O-CB 3.49Å; E155-A158 PolarHBondContact O-N 3.41Å; T156-A158 VanDerWaalsContact C-N 3.26Å; T156-A158 PolarHBondContact O-N 2.95Å; A158-R216 PolarHBondContact O-NE 2.64Å; A158-R216 PolarHBondContact O-NH2 3.31Å
159S76.5Confident83.3Confident84 Ų8462.7 Ų62.759%0.58734%0.336SS*.SBendtrans-67.1125.4178.4-62.20000110.7R161S159-R161 PolarHBondContact O-N 3.42Å
160P79.6Confident82.7Confident83 Ų8363.7 Ų63.754%0.53935%0.347SS..  trans-59.3126.3177.2-2232.9000110.9G215P160-G215 CarbonylContact C-O 3.52Å; P160-G215 VanDerWaalsContact CA-O 3.27Å; P160-G215 WeakPolarHBondContact CA-O 3.36Å
161R82.3Confident82.3Confident116 Ų11665.3 Ų65.344%0.43836%0.356SS..  trans-149.7141.4175.5-168.3166.4177.4159.8-2.1110.5S159 E165 I166 G215S159-R161 PolarHBondContact O-N 3.42Å; R161-E165 HydrophobicContact CG-CB 4.42Å; R161-E165 PolarHBondContact NH2-O 3.33Å; R161-I166 HydrophobicContact CG-CG1 4.13Å; R161-G215 PolarHBondContact N-O 2.92Å; R161-G215 CarbonylContact O-C 3.48Å; R161-G215 VanDerWaalsContact O-O 3.04Å
162S85.4Confident81.9Confident46 Ų4669.1 Ų69.132%0.32238%0.376SS..  trans-70.3143.1176.1-166.40000110.5I164 E165S162-I164 VanDerWaalsContact C-N 3.27Å; S162-I164 PolarHBondContact O-N 2.89Å; S162-I164 WeakPolarHBondContact OG-CG1 3.27Å; S162-E165 WeakPolarHBondContact CB-OE2 3.41Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 2.93Å
163L86.9Confident81.8Confident73 Ų7370.4 Ų70.438%0.38238%0.383SS..G310 helixtrans-62-38.5179.5-179.162.9000111.5E165 I166 V171 V217 M218L163-E165 PolarHBondContact O-N 3.1Å; L163-I166 PolarHBondContact O-N 3.19Å; L163-V171 HydrophobicContact CD1-CG2 4.28Å; L163-V217 HydrophobicContact CD2-CG1 4.49Å; L163-M218 HydrophobicContact CD1-CG 3.91Å; L163-M218 HydrophobicContact CD1-SD 3.92Å
164I90Very high82Confident158 Ų15871.8 Ų71.881%0.8139%0.387SS*.G310 helixtrans-71-14.9-17965.5175.4000113.4S162S162-I164 VanDerWaalsContact C-N 3.27Å; S162-I164 PolarHBondContact O-N 2.89Å; S162-I164 WeakPolarHBondContact OG-CG1 3.27Å
165E88.4Confident82.6Confident117 Ų11772.7 Ų72.755%0.54739%0.394SS..G310 helixtrans-91.3-4.5177.6-67.4164.4-174.800112.5R161 S162 L163R161-E165 HydrophobicContact CG-CB 4.42Å; R161-E165 PolarHBondContact NH2-O 3.33Å; S162-E165 WeakPolarHBondContact CB-OE2 3.41Å; S162-E165 PolarHBondContact N-OE2 3.38Å; S162-E165 PolarHBondContact O-N 2.93Å; L163-E165 PolarHBondContact O-N 3.1Å
166I86.3Confident83.6Confident16 Ų1671.5 Ų71.58%0.08239%0.39CS..SBendtrans-93.6122.1177-56171.7000106.8R161 L163 V171R161-I166 HydrophobicContact CG-CG1 4.13Å; L163-I166 PolarHBondContact O-N 3.19Å; I166-V171 HydrophobicContact CB-CG2 3.87Å; I166-V171 HydrophobicContact CG2-CG2 3.63Å
167P88.5Confident84.7Confident88 Ų8870.8 Ų70.857%0.57138%0.379SS*.  trans-55.2145.5173.9-23.733.2000111.2Q169 G170 V171P167-Q169 VanDerWaalsContact C-N 3.3Å; P167-Q169 PolarHBondContact O-N 3.35Å; P167-G170 CarbonylContact O-C 3.5Å; P167-G170 WeakPolarHBondContact O-CA 3.5Å; P167-G170 PolarHBondContact O-N 2.89Å; P167-V171 PolarHBondContact O-N 3.44Å
168E87.3Confident85.7Confident161 Ų16170.9 Ų70.975%0.75238%0.379SS*.Hα-helixtrans-51.3-47.5-176.4-175.4179.7150.800112.8G170 V171 L172E168-G170 VanDerWaalsContact C-N 3.28Å; E168-G170 PolarHBondContact O-N 3.07Å; E168-V171 WeakPolarHBondContact O-CB 3.31Å; E168-V171 PolarHBondContact O-N 3.04Å; E168-L172 PolarHBondContact O-N 3.43Å; E168-L172 VanDerWaalsContact O-N 3.1Å
169Q84.8Confident86.9Confident122 Ų12270.3 Ų70.357%0.5737%0.371SS*.Hα-helixtrans-57.3-43176.3-170.661.539.800111.7P167 V171 L172 D173P167-Q169 VanDerWaalsContact C-N 3.3Å; P167-Q169 PolarHBondContact O-N 3.35Å; Q169-V171 VanDerWaalsContact C-N 3.28Å; Q169-V171 PolarHBondContact O-N 3.27Å; Q169-L172 PolarHBondContact O-N 3.08Å; Q169-D173 PolarHBondContact NE2-OD1 3.34Å; Q169-D173 WeakPolarHBondContact O-CB 3.42Å; Q169-D173 PolarHBondContact O-N 3.15Å
170G86.1Confident87.7Confident21 Ų2167.4 Ų67.422%0.21635%0.354CS..Hα-helixtrans-66.4-26.9177.200000113.7P167 E168 R174P167-G170 CarbonylContact O-C 3.5Å; P167-G170 WeakPolarHBondContact O-CA 3.5Å; P167-G170 PolarHBondContact O-N 2.89Å; E168-G170 VanDerWaalsContact C-N 3.28Å; E168-G170 PolarHBondContact O-N 3.07Å; G170-R174 WeakPolarHBondContact O-CB 3.39Å; G170-R174 VanDerWaalsContact O-CD 3.27Å; G170-R174 WeakPolarHBondContact O-CD 3.23Å; G170-R174 WeakPolarHBondContact O-CG 3.47Å; G170-R174 PolarHBondContact O-N 3.48Å
171V87.9Confident88.2Confident34 Ų3463.4 Ų63.421%0.20633%0.328CS..Hα-helixtrans-68.3-52.2171.8176.50000109.8L163 I166 P167 E168 Q169 D173 R174 V175 M218L163-V171 HydrophobicContact CD1-CG2 4.28Å; I166-V171 HydrophobicContact CB-CG2 3.87Å; I166-V171 HydrophobicContact CG2-CG2 3.63Å; P167-V171 PolarHBondContact O-N 3.44Å; E168-V171 WeakPolarHBondContact O-CB 3.31Å; E168-V171 PolarHBondContact O-N 3.04Å; Q169-V171 VanDerWaalsContact C-N 3.28Å; Q169-V171 PolarHBondContact O-N 3.27Å; V171-D173 PolarHBondContact O-N 3.02Å; V171-R174 WeakPolarHBondContact O-CB 3.46Å; V171-R174 PolarHBondContact O-N 2.86Å; V171-V175 WeakPolarHBondContact O-CG2 3.39Å; V171-V175 PolarHBondContact O-N 3.34Å; V171-M218 HydrophobicContact CB-CE 4.47Å; V171-M218 HydrophobicContact CG1-CE 3.72Å; V171-M218 HydrophobicContact CG1-SD 4.34Å
172L88.6Confident88.7Confident82 Ų8258 Ų5843%0.42931%0.308SS..Hα-helixtrans-63.4-41.3-179.1-67.4178.1000112.3E168 Q169 R174 V175 N176E168-L172 PolarHBondContact O-N 3.43Å; E168-L172 VanDerWaalsContact O-N 3.1Å; Q169-L172 PolarHBondContact O-N 3.08Å; L172-R174 VanDerWaalsContact C-N 3.29Å; L172-R174 PolarHBondContact O-N 3.15Å; L172-V175 PolarHBondContact O-N 2.94Å; L172-V175 VanDerWaalsContact O-N 3.16Å; L172-N176 WeakPolarHBondContact O-CB 3.35Å; L172-N176 PolarHBondContact O-N 3.46Å
173D87.5Confident89.1Confident35 Ų3558 Ų5819%0.18731%0.307CS..Hα-helixtrans-59.4-41.6176.4-65.5-14.7000111.2Q169 V171 N176 R177Q169-D173 PolarHBondContact NE2-OD1 3.34Å; Q169-D173 WeakPolarHBondContact O-CB 3.42Å; Q169-D173 PolarHBondContact O-N 3.15Å; V171-D173 PolarHBondContact O-N 3.02Å; D173-N176 PolarHBondContact O-N 2.92Å; D173-R177 WeakPolarHBondContact O-CB 3.36Å; D173-R177 VanDerWaalsContact O-CG 3.3Å; D173-R177 WeakPolarHBondContact O-CG 3.4Å; D173-R177 PolarHBondContact O-N 2.93Å
174R89Confident89.4Confident42 Ų4257 Ų5716%0.15830%0.301CS..Hα-helixtrans-65.9-40.8176.5-74.2169.1-176.8-136.5-4.1112L157 G170 V171 L172 N178 M218 F222L157-R174 HydrophobicContact CD2-CB 4.42Å; L157-R174 HydrophobicContact CD2-CG 4.13Å; G170-R174 WeakPolarHBondContact O-CB 3.39Å; G170-R174 VanDerWaalsContact O-CD 3.27Å; G170-R174 WeakPolarHBondContact O-CD 3.23Å; G170-R174 WeakPolarHBondContact O-CG 3.47Å; G170-R174 PolarHBondContact O-N 3.48Å; V171-R174 WeakPolarHBondContact O-CB 3.46Å; V171-R174 PolarHBondContact O-N 2.86Å; L172-R174 VanDerWaalsContact C-N 3.29Å; L172-R174 PolarHBondContact O-N 3.15Å; R174-N178 WeakPolarHBondContact O-CB 3.44Å; R174-N178 PolarHBondContact O-N 3.23Å; R174-N178 PolarHBondContact O-ND2 3.26Å; R174-M218 HydrophobicContact CB-CE 4.03Å; R174-F222 HydrophobicContact CB-CE2 4.11Å; R174-F222 HydrophobicContact CB-CZ 4.39Å; R174-F222 WeakPolarHBondContact O-CE2 3.28Å
175V90.7Very high89.5Confident47 Ų4749.5 Ų49.529%0.28526%0.263SS..Hα-helixtrans-61.2-50.4174.6175.40000109.9V171 L172 R177 N178 I179 G180 M218 F222V171-V175 WeakPolarHBondContact O-CG2 3.39Å; V171-V175 PolarHBondContact O-N 3.34Å; L172-V175 PolarHBondContact O-N 2.94Å; L172-V175 VanDerWaalsContact O-N 3.16Å; V175-R177 PolarHBondContact O-N 3.42Å; V175-N178 PolarHBondContact O-N 2.83Å; V175-I179 HydrophobicContact CG1-CB 4.33Å; V175-I179 HydrophobicContact CG1-CG1 4.46Å; V175-I179 WeakPolarHBondContact O-CA 3.44Å; V175-I179 VanDerWaalsContact O-CB 3.29Å; V175-I179 WeakPolarHBondContact O-CB 3.34Å; V175-I179 PolarHBondContact O-N 2.82Å; V175-G180 PolarHBondContact O-N 3.41Å; V175-M218 HydrophobicContact CG2-CE 4.02Å; V175-F222 HydrophobicContact CB-CZ 4.22Å; V175-F222 HydrophobicContact CG2-CE1 3.89Å; V175-F222 HydrophobicContact CG2-CZ 3.67Å
176N89.8Confident89.8Confident58 Ų5844 Ų4431%0.3124%0.237SC..Iπ-helixtrans-64-43.8-176.7-72.8-19.7000112.2F127 L172 D173 N178 G180 A181F127-N176 WeakPolarHBondContact O-CB 3.49Å; L172-N176 WeakPolarHBondContact O-CB 3.35Å; L172-N176 PolarHBondContact O-N 3.46Å; D173-N176 PolarHBondContact O-N 2.92Å; N176-N178 VanDerWaalsContact C-N 3.34Å; N176-N178 PolarHBondContact O-N 3.41Å; N176-G180 CarbonylContact O-C 3.09Å; N176-G180 WeakPolarHBondContact O-CA 3.29Å; N176-G180 PolarHBondContact O-N 3.37Å; N176-A181 PolarHBondContact O-N 3.37Å
177R88.2Confident90.2Very high64 Ų6452.5 Ų52.524%0.24227%0.268CS..Iπ-helixtrans-68-27.6179.2-71.7-170.2-61.5-155.83.7114.2Y74 D173 V175 A181Y74-R177 VanDerWaalsContact CE1-O 3.23Å; Y74-R177 WeakPolarHBondContact CE1-O 3.41Å; Y74-R177 PolarHBondContact OH-O 3.26Å; D173-R177 WeakPolarHBondContact O-CB 3.36Å; D173-R177 VanDerWaalsContact O-CG 3.3Å; D173-R177 WeakPolarHBondContact O-CG 3.4Å; D173-R177 PolarHBondContact O-N 2.93Å; V175-R177 PolarHBondContact O-N 3.42Å; R177-A181 VanDerWaalsContact O-CB 3.3Å; R177-A181 WeakPolarHBondContact O-CB 3.43Å
178N89.9Confident90.5Very high6 Ų650.9 Ų50.93%0.03226%0.255CS..Iπ-helixtrans-102.4-48.7-177.2-68.7-82.5000112.3M153 D154 R174 V175 N176 A182 F222M153-N178 VanDerWaalsContact CG-OD1 3.25Å; M153-N178 WeakPolarHBondContact CG-OD1 3.3Å; D154-N178 WeakPolarHBondContact CB-OD1 3.41Å; D154-N178 PolarHBondContact N-OD1 2.81Å; R174-N178 WeakPolarHBondContact O-CB 3.44Å; R174-N178 PolarHBondContact O-N 3.23Å; R174-N178 PolarHBondContact O-ND2 3.26Å; V175-N178 PolarHBondContact O-N 2.83Å; N176-N178 VanDerWaalsContact C-N 3.34Å; N176-N178 PolarHBondContact O-N 3.41Å; N178-A182 VanDerWaalsContact O-CB 3.28Å; N178-A182 WeakPolarHBondContact O-CB 3.3Å; N178-F222 HydrophobicContact CB-CD2 3.83Å; N178-F222 HydrophobicContact CB-CE2 4.17Å
179I92.1Very high90.9Very high23 Ų2343.5 Ų43.512%0.11822%0.221CC..Iπ-helixtrans-89.6-52.3-174-53-59.1000110.3V175 T183 F222 Y225V175-I179 HydrophobicContact CG1-CB 4.33Å; V175-I179 HydrophobicContact CG1-CG1 4.46Å; V175-I179 WeakPolarHBondContact O-CA 3.44Å; V175-I179 VanDerWaalsContact O-CB 3.29Å; V175-I179 WeakPolarHBondContact O-CB 3.34Å; V175-I179 PolarHBondContact O-N 2.82Å; I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.37Å; I179-T183 VanDerWaalsContact O-N 3.1Å; I179-T183 PolarHBondContact O-OG1 3.3Å; I179-F222 HydrophobicContact CD1-CB 3.84Å; I179-F222 HydrophobicContact CD1-CD1 3.8Å; I179-F222 HydrophobicContact CD1-CG 3.88Å; I179-F222 HydrophobicContact CG1-CD1 3.76Å; I179-F222 HydrophobicContact CG1-CE1 4.02Å; I179-F222 HydrophobicContact CG1-CG 4.13Å; I179-Y225 HydrophobicContact CB-CE1 4.49Å; I179-Y225 HydrophobicContact CD1-CD1 3.42Å; I179-Y225 VanDerWaalsContact CD1-CD1 3.42Å; I179-Y225 HydrophobicContact CD1-CE1 4.2Å; I179-Y225 HydrophobicContact CD1-CG 3.7Å; I179-Y225 HydrophobicContact CG1-CD1 4.47Å; I179-Y225 HydrophobicContact CG2-CD1 3.84Å; I179-Y225 HydrophobicContact CG2-CD2 4.15Å; I179-Y225 HydrophobicContact CG2-CE1 3.59Å; I179-Y225 HydrophobicContact CG2-CE2 3.9Å; I179-Y225 HydrophobicContact CG2-CG 4.13Å
180G91.6Very high91.4Very high23 Ų2338.1 Ų38.124%0.23720%0.196CC..Iπ-helixtrans-59.5-50.7179.800000111.4V175 N176 T183 L184V175-G180 PolarHBondContact O-N 3.41Å; N176-G180 CarbonylContact O-C 3.09Å; N176-G180 WeakPolarHBondContact O-CA 3.29Å; N176-G180 PolarHBondContact O-N 3.37Å; G180-T183 PolarHBondContact O-N 3.4Å; G180-L184 WeakPolarHBondContact O-CB 3.42Å; G180-L184 VanDerWaalsContact O-CG 3.29Å; G180-L184 WeakPolarHBondContact O-CG 3.29Å; G180-L184 PolarHBondContact O-N 2.88Å
181A91.2Very high91.9Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-60.2-51.7-179.800000112.2Y74 F127 N176 R177 T183 L184 M185Y74-A181 HydrophobicContact CD1-CB 4.2Å; Y74-A181 HydrophobicContact CE1-CB 3.46Å; Y74-A181 VanDerWaalsContact CE1-CB 3.46Å; Y74-A181 HydrophobicContact CE2-CB 4.01Å; Y74-A181 WeakPolarHBondContact OH-CB 3.45Å; F127-A181 HydrophobicContact CB-CB 3.84Å; F127-A181 HydrophobicContact CD1-CB 3.91Å; F127-A181 HydrophobicContact CD2-CB 4.02Å; F127-A181 HydrophobicContact CE1-CB 4.47Å; F127-A181 HydrophobicContact CG-CB 3.64Å; N176-A181 PolarHBondContact O-N 3.37Å; R177-A181 VanDerWaalsContact O-CB 3.3Å; R177-A181 WeakPolarHBondContact O-CB 3.43Å; A181-T183 VanDerWaalsContact C-N 3.26Å; A181-T183 PolarHBondContact O-N 3.42Å; A181-L184 PolarHBondContact O-N 2.9Å; A181-M185 VanDerWaalsContact O-CB 3.29Å; A181-M185 WeakPolarHBondContact O-CB 3.35Å; A181-M185 WeakPolarHBondContact O-CG 3.5Å; A181-M185 PolarHBondContact O-N 3.48Å
182A92.4Very high92.2Very high2 Ų240.5 Ų40.52%0.01721%0.211CC..Hα-helixtrans-58.6-39.1179.700000112.5N151 N178 A186 L226N151-A182 HydrophobicContact CB-CB 4.24Å; N178-A182 VanDerWaalsContact O-CB 3.28Å; N178-A182 WeakPolarHBondContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.08Å; A182-A186 PolarHBondContact O-N 2.93Å; A182-L226 HydrophobicContact CB-CD2 3.65Å
183T93.9Very high92.7Very high47 Ų4736.6 Ų36.629%0.28819%0.191SC..Hα-helixtrans-67-47.7177.6-52.50000111.8I179 G180 A181 A186 R187 Y225 F229I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.37Å; I179-T183 VanDerWaalsContact O-N 3.1Å; I179-T183 PolarHBondContact O-OG1 3.3Å; G180-T183 PolarHBondContact O-N 3.4Å; A181-T183 VanDerWaalsContact C-N 3.26Å; A181-T183 PolarHBondContact O-N 3.42Å; T183-A186 PolarHBondContact O-N 3.46Å; T183-R187 WeakPolarHBondContact O-CB 3.46Å; T183-R187 PolarHBondContact O-N 2.73Å; T183-Y225 PolarHBondContact OG1-OH 2.88Å; T183-F229 HydrophobicContact CG2-CE2 4.43Å; T183-F229 HydrophobicContact CG2-CZ 4.4Å
184L92.6Very high93.1Very high51 Ų5136.9 Ų36.927%0.26719%0.194SC..Hα-helixtrans-65.8-42179.5-71.2174.5000111.3F127 G180 A181 A186 R187 L188F127-L184 HydrophobicContact CD1-CD1 4.11Å; F127-L184 HydrophobicContact CE1-CB 4.27Å; F127-L184 HydrophobicContact CE1-CD1 4.17Å; G180-L184 WeakPolarHBondContact O-CB 3.42Å; G180-L184 VanDerWaalsContact O-CG 3.29Å; G180-L184 WeakPolarHBondContact O-CG 3.29Å; G180-L184 PolarHBondContact O-N 2.88Å; A181-L184 PolarHBondContact O-N 2.9Å; L184-A186 PolarHBondContact O-N 3.39Å; L184-R187 WeakPolarHBondContact O-CB 3.3Å; L184-R187 PolarHBondContact O-N 3Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 2.9Å
185M93.4Very high93.5Very high0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-59.6-46.8175.9-74.2-50.4-50.600111.6V72 Y74 I98 F127 V137 L149 A181 R187 L188 V189V72-M185 HydrophobicContact CG1-CE 3.45Å; V72-M185 VanDerWaalsContact CG1-CE 3.45Å; Y74-M185 HydrophobicContact CG-CG 4.44Å; I98-M185 HydrophobicContact CD1-CE 3.29Å; I98-M185 HydrophobicContact CD1-SD 3.6Å; F127-M185 HydrophobicContact CE2-SD 4.48Å; F127-M185 HydrophobicContact CZ-CG 4.41Å; F127-M185 HydrophobicContact CZ-SD 3.85Å; V137-M185 HydrophobicContact CG1-CE 3.8Å; V137-M185 HydrophobicContact CG1-SD 3.86Å; V137-M185 HydrophobicContact CG2-SD 4.5Å; L149-M185 HydrophobicContact CD1-CB 3.96Å; L149-M185 HydrophobicContact CD1-CE 3.88Å; L149-M185 HydrophobicContact CD2-CB 3.95Å; A181-M185 VanDerWaalsContact O-CB 3.29Å; A181-M185 WeakPolarHBondContact O-CB 3.35Å; A181-M185 WeakPolarHBondContact O-CG 3.5Å; A181-M185 PolarHBondContact O-N 3.48Å; M185-R187 VanDerWaalsContact C-N 3.35Å; M185-R187 PolarHBondContact O-N 3.21Å; M185-L188 PolarHBondContact O-N 3.32Å; M185-L188 HydrophobicContact SD-CD1 4.31Å; M185-V189 WeakPolarHBondContact O-CG2 3.23Å; M185-V189 PolarHBondContact O-N 2.94Å; M185-V189 VanDerWaalsContact O-N 3.11Å
186A94.8Very high93.7Very high2 Ų244.4 Ų44.42%0.01722%0.224CC..Hα-helixtrans-59-46.7174.900000111.2L149 A182 T183 L184 L188 V189 L190 F229 L233L149-A186 HydrophobicContact CD2-CB 4.27Å; A182-A186 WeakPolarHBondContact O-CB 3.08Å; A182-A186 PolarHBondContact O-N 2.93Å; T183-A186 PolarHBondContact O-N 3.46Å; L184-A186 PolarHBondContact O-N 3.39Å; A186-L188 VanDerWaalsContact C-N 3.26Å; A186-L188 PolarHBondContact O-N 3.42Å; A186-V189 PolarHBondContact O-N 2.99Å; A186-L190 HydrophobicContact CB-CD1 4.18Å; A186-L190 VanDerWaalsContact O-CB 3.23Å; A186-L190 WeakPolarHBondContact O-CB 3.35Å; A186-L190 WeakPolarHBondContact O-CD1 3.36Å; A186-L190 WeakPolarHBondContact O-CG 3.43Å; A186-L190 PolarHBondContact O-N 3.39Å; A186-F229 HydrophobicContact CB-CE1 4.09Å; A186-F229 HydrophobicContact CB-CZ 3.91Å; A186-L233 HydrophobicContact CB-CD1 4.25Å
187R94.3Very high94.1Very high194 Ų19445.4 Ų45.473%0.73224%0.236SC*.Hα-helixtrans-59.5-34.4177-178-177.6173.91170.5113T183 L184 M185 P191T183-R187 WeakPolarHBondContact O-CB 3.46Å; T183-R187 PolarHBondContact O-N 2.73Å; L184-R187 WeakPolarHBondContact O-CB 3.3Å; L184-R187 PolarHBondContact O-N 3Å; M185-R187 VanDerWaalsContact C-N 3.35Å; M185-R187 PolarHBondContact O-N 3.21Å; R187-P191 WeakPolarHBondContact O-CD 3.46Å; R187-P191 WeakPolarHBondContact O-CG 3.3Å
188L93.6Very high94.5Very high54 Ų5446 Ų4628%0.28324%0.238SC..Hα-helixtrans-73.1-41.7179.6-73.9171.7000112.7A134 V137 A138 L141 L184 M185 A186A134-L188 HydrophobicContact CB-CD1 4.04Å; V137-L188 HydrophobicContact CB-CD1 4.18Å; V137-L188 HydrophobicContact CG1-CD1 3.85Å; A138-L188 HydrophobicContact CB-CD2 4.09Å; L141-L188 HydrophobicContact CD1-CB 4.3Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 2.9Å; M185-L188 PolarHBondContact O-N 3.32Å; M185-L188 HydrophobicContact SD-CD1 4.31Å; A186-L188 VanDerWaalsContact C-N 3.26Å; A186-L188 PolarHBondContact O-N 3.42Å
189V95.9Very high94.8Very high6 Ų645.7 Ų45.74%0.03624%0.236CC..Hα-helixtrans-87.1-33.5-174-56.10000113.5V72 L141 V146 L149 M185 A186 G192 M193V72-V189 HydrophobicContact CG2-CG1 4.48Å; L141-V189 HydrophobicContact CD1-CG1 3.94Å; V146-V189 HydrophobicContact CG1-CB 4.43Å; V146-V189 HydrophobicContact CG1-CG1 4.16Å; L149-V189 HydrophobicContact CB-CG1 4.43Å; L149-V189 HydrophobicContact CB-CG2 3.88Å; L149-V189 HydrophobicContact CD2-CG1 4.45Å; L149-V189 HydrophobicContact CD2-CG2 3.57Å; L149-V189 HydrophobicContact CG-CG2 4.29Å; M185-V189 WeakPolarHBondContact O-CG2 3.23Å; M185-V189 PolarHBondContact O-N 2.94Å; M185-V189 VanDerWaalsContact O-N 3.11Å; A186-V189 PolarHBondContact O-N 2.99Å; V189-G192 PolarHBondContact O-N 2.9Å; V189-M193 HydrophobicContact CB-CE 4.07Å; V189-M193 HydrophobicContact CG2-CE 3.96Å; V189-M193 HydrophobicContact CG2-SD 4.12Å; V189-M193 WeakPolarHBondContact O-CG 3.31Å; V189-M193 PolarHBondContact O-N 2.86Å
190L96.3Very high95.1Very high10 Ų1044.6 Ų44.65%0.05223%0.231CC..Hα-helixtrans-59.5-41.4-171.3-79.2170.5000113.9A186 G192 M193 V194 V201 L233 Y237 I242A186-L190 HydrophobicContact CB-CD1 4.18Å; A186-L190 VanDerWaalsContact O-CB 3.23Å; A186-L190 WeakPolarHBondContact O-CB 3.35Å; A186-L190 WeakPolarHBondContact O-CD1 3.36Å; A186-L190 WeakPolarHBondContact O-CG 3.43Å; A186-L190 PolarHBondContact O-N 3.39Å; L190-G192 VanDerWaalsContact C-N 3.33Å; L190-G192 PolarHBondContact O-N 2.86Å; L190-M193 PolarHBondContact O-N 3.33Å; L190-V194 WeakPolarHBondContact O-CB 3.46Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.48Å; L190-V194 PolarHBondContact O-N 2.85Å; L190-V201 HydrophobicContact CD2-CG2 4.2Å; L190-L233 HydrophobicContact CD1-CD2 4.03Å; L190-Y237 HydrophobicContact CD1-CE2 4.18Å; L190-Y237 HydrophobicContact CD2-CD1 4.43Å; L190-Y237 HydrophobicContact CD2-CG 4.47Å; L190-I242 HydrophobicContact CD2-CG2 4.11Å
191P95.7Very high95.4Very high85 Ų8543.5 Ų43.555%0.55222%0.22SC*.Hα-helixtrans-56-46.3-179.9-27.335.7000112.9R187 V194 E195R187-P191 WeakPolarHBondContact O-CD 3.46Å; R187-P191 WeakPolarHBondContact O-CG 3.3Å; P191-V194 PolarHBondContact O-N 3.29Å; P191-E195 PolarHBondContact O-N 3.19Å
192G95.8Very high95.7Very high19 Ų1943.5 Ų43.520%0.19622%0.22CC..Hα-helixtrans-67.9-40.4178.300000112.7V189 L190 V194 E195 R196V189-G192 PolarHBondContact O-N 2.9Å; L190-G192 VanDerWaalsContact C-N 3.33Å; L190-G192 PolarHBondContact O-N 2.86Å; G192-V194 VanDerWaalsContact C-N 3.32Å; G192-V194 PolarHBondContact O-N 2.7Å; G192-E195 PolarHBondContact O-N 3.22Å; G192-R196 VanDerWaalsContact C-CZ 3.45Å; G192-R196 VanDerWaalsContact C-NH1 3.33Å; G192-R196 PolarHBondContact O-N 3.42Å; G192-R196 PolarHBondContact O-NH1 3.49Å
193M97.4Very high95.9Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-61.5-41.7175.8-67.5179.8173.500111.6V146 L149 V189 L190 R196 S197 R198 V201 I242V146-M193 HydrophobicContact CG1-CE 4.27Å; L149-M193 HydrophobicContact CB-CE 4.43Å; V189-M193 HydrophobicContact CB-CE 4.07Å; V189-M193 HydrophobicContact CG2-CE 3.96Å; V189-M193 HydrophobicContact CG2-SD 4.12Å; V189-M193 WeakPolarHBondContact O-CG 3.31Å; V189-M193 PolarHBondContact O-N 2.86Å; L190-M193 PolarHBondContact O-N 3.33Å; M193-R196 CarbonylContact O-C 3.52Å; M193-R196 PolarHBondContact O-N 2.81Å; M193-S197 PolarHBondContact O-N 3.39Å; M193-R198 WeakPolarHBondContact CA-O 3.3Å; M193-R198 WeakPolarHBondContact CB-O 3.47Å; M193-R198 PolarHBondContact O-N 3.05Å; M193-R198 VanDerWaalsContact O-N 3.14Å; M193-V201 HydrophobicContact SD-CG2 4.26Å; M193-I242 HydrophobicContact CB-CD1 3.65Å; M193-I242 WeakPolarHBondContact O-CD1 3.47Å
194V97.3Very high95.9Very high41 Ų4141.3 Ų41.325%0.24821%0.206CC..Hα-helixtrans-65.2-43.8178.51680000111.2L190 P191 G192 R196 S197 Y237 K240 I242L190-V194 WeakPolarHBondContact O-CB 3.46Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.48Å; L190-V194 PolarHBondContact O-N 2.85Å; P191-V194 PolarHBondContact O-N 3.29Å; G192-V194 VanDerWaalsContact C-N 3.32Å; G192-V194 PolarHBondContact O-N 2.7Å; V194-R196 PolarHBondContact O-N 2.82Å; V194-S197 PolarHBondContact O-N 3.25Å; V194-Y237 HydrophobicContact CG2-CD1 3.71Å; V194-Y237 HydrophobicContact CG2-CE1 4.02Å; V194-K240 HydrophobicContact CG1-CB 4.45Å; V194-K240 HydrophobicContact CG1-CD 3.94Å; V194-K240 HydrophobicContact CG1-CG 4.49Å; V194-K240 HydrophobicContact CG2-CB 4.31Å; V194-K240 HydrophobicContact CG2-CD 3.93Å; V194-I242 HydrophobicContact CG2-CG1 4.17Å
195E96.4Very high95.7Very high163 Ų16339.2 Ų39.276%0.76220%0.195SC*.Hα-helixtrans-57-38.9175.9-175.3177-163.100111.7P191 G192 S197P191-E195 PolarHBondContact O-N 3.19Å; G192-E195 PolarHBondContact O-N 3.22Å; E195-S197 VanDerWaalsContact C-N 3.34Å
196R96Very high95.4Very high85 Ų8540.5 Ų40.532%0.32120%0.204SC..THydrogen-bonded Turntrans-85.5-4177.1-63.7-175.5-67-77.12.7114D145 V146 G192 M193 V194 R198D145-R196 VanDerWaalsContact OD1-CD 3.22Å; D145-R196 WeakPolarHBondContact OD1-CD 3.25Å; D145-R196 IonicContact OD1-CZ 3.57Å; D145-R196 IonicContact OD1-NE 2.74Å; D145-R196 PolarHBondContact OD1-NE 3.44Å; D145-R196 IonicContact OD1-NH2 2.95Å; V146-R196 PolarHBondContact O-NH2 2.98Å; G192-R196 VanDerWaalsContact C-CZ 3.45Å; G192-R196 VanDerWaalsContact C-NH1 3.33Å; G192-R196 PolarHBondContact O-N 3.42Å; G192-R196 PolarHBondContact O-NH1 3.49Å; M193-R196 CarbonylContact O-C 3.52Å; M193-R196 PolarHBondContact O-N 2.81Å; V194-R196 PolarHBondContact O-N 2.82Å; R196-R198 HydrophobicContact CB-CG 4.11Å; R196-R198 PolarHBondContact O-N 3.12Å; R196-R198 VanDerWaalsContact O-N 3.11Å
197S96.4Very high94.8Very high79 Ų7940.7 Ų40.755%0.55221%0.206SC*.THydrogen-bonded Turntrans49.831.3-174.3-61.30000114.1M193 V194 E195 K240M193-S197 PolarHBondContact O-N 3.39Å; V194-S197 PolarHBondContact O-N 3.25Å; E195-S197 VanDerWaalsContact C-N 3.34Å; S197-K240 CarbonylContact C-O 3.58Å; S197-K240 WeakPolarHBondContact CA-O 3.35Å
198R96.6Very high94.1Very high76 Ų7632 Ų3229%0.28718%0.175SC..  trans-152.9143.1177.369.4177-173177.3-2.7110.9Q65 D145 M193 R196Q65-R198 PolarHBondContact O-NH1 3.41Å; D145-R198 IonicContact OD1-NH2 2.8Å; D145-R198 IonicContact OD2-CZ 3.52Å; D145-R198 IonicContact OD2-NE 3.97Å; D145-R198 IonicContact OD2-NH2 3.79Å; D145-R198 PolarHBondContact OD2-NH2 2.82Å; M193-R198 WeakPolarHBondContact CA-O 3.3Å; M193-R198 WeakPolarHBondContact CB-O 3.47Å; M193-R198 PolarHBondContact O-N 3.05Å; M193-R198 VanDerWaalsContact O-N 3.14Å; R196-R198 HydrophobicContact CB-CG 4.11Å; R196-R198 PolarHBondContact O-N 3.12Å; R196-R198 VanDerWaalsContact O-N 3.11Å
199G97.3Very high93.4Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans162.7164.8174.500000112.2Y67 G147 F243Y67-G199 WeakPolarHBondContact CD1-O 3.35Å; G147-G199 CarbonylContact O-C 3.57Å; G147-G199 VanDerWaalsContact O-CA 3.31Å; G147-G199 WeakPolarHBondContact O-CA 3.27Å; G199-F243 PolarHBondContact O-N 3.25Å
200A97.8Very high92.6Very high0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-132.2132.4178.200000111.6Y67 G147 F148 L149 F243 L277Y67-A200 HydrophobicContact CD1-CB 3.73Å; Y67-A200 HydrophobicContact CD2-CB 4.37Å; Y67-A200 HydrophobicContact CE1-CB 3.95Å; Y67-A200 HydrophobicContact CG-CB 3.94Å; G147-A200 PolarHBondContact O-N 3.34Å; F148-A200 CarbonylContact C-O 3.53Å; F148-A200 VanDerWaalsContact CA-O 3.27Å; F148-A200 WeakPolarHBondContact CA-O 3.27Å; F148-A200 HydrophobicContact CD1-CB 3.77Å; F148-A200 HydrophobicContact CE1-CB 4.15Å; L149-A200 PolarHBondContact N-O 3.43Å; A200-F243 CarbonylContact C-O 3.52Å; A200-F243 WeakPolarHBondContact CA-O 3.25Å; A200-L277 HydrophobicContact CB-CD1 4.4Å
201V98.1Very high91.8Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-117.3124.3170.4-177.40000108.6L149 L190 M193 F243 I244 Q245L149-V201 HydrophobicContact CB-CG1 4.38Å; L149-V201 HydrophobicContact CB-CG2 4.38Å; L149-V201 HydrophobicContact CD2-CG1 4.07Å; L149-V201 HydrophobicContact CG-CG1 4.33Å; L149-V201 CarbonylContact O-C 3.54Å; L149-V201 WeakPolarHBondContact O-CA 3.49Å; L190-V201 HydrophobicContact CD2-CG2 4.2Å; M193-V201 HydrophobicContact SD-CG2 4.26Å; V201-F243 PolarHBondContact N-O 3Å; V201-I244 HydrophobicContact CB-CB 4.45Å; V201-I244 HydrophobicContact CB-CG1 3.87Å; V201-I244 HydrophobicContact CB-CG2 4.26Å; V201-I244 HydrophobicContact CG2-CG1 4.14Å; V201-I244 CarbonylContact O-C 3.52Å; V201-I244 VanDerWaalsContact O-CA 3.3Å; V201-I244 WeakPolarHBondContact O-CA 3.3Å; V201-Q245 PolarHBondContact O-N 2.74Å
202V97.8Very high91Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-120.4114.2-178.5-176.80000108.1Y84 L149 V150 N151 I204 Q245 L247 L277Y84-V202 HydrophobicContact CE2-CG1 4.49Å; L149-V202 PolarHBondContact O-N 2.89Å; V150-V202 CarbonylContact C-O 3.52Å; V150-V202 VanDerWaalsContact CA-O 3.28Å; V150-V202 WeakPolarHBondContact CA-O 3.3Å; V150-V202 HydrophobicContact CG1-CB 4.47Å; V150-V202 HydrophobicContact CG2-CB 4.31Å; N151-V202 PolarHBondContact N-O 3.26Å; V202-I204 HydrophobicContact CG1-CG1 4.35Å; V202-Q245 WeakPolarHBondContact CA-O 3.29Å; V202-Q245 HydrophobicContact CG2-CB 4.46Å; V202-L247 HydrophobicContact CG1-CD1 3.47Å; V202-L247 VanDerWaalsContact CG1-CD1 3.47Å; V202-L247 HydrophobicContact CG1-CG 3.94Å; V202-L277 HydrophobicContact CG2-CD1 3.56Å
203N96.8Very high90.1Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-105.5110.2175.5-64-42.5000108.7N151 S205 S230 Q245 L247N151-N203 WeakPolarHBondContact CB-OD1 3.49Å; N151-N203 PolarHBondContact ND2-OD1 3Å; N203-S205 PolarHBondContact O-N 2.76Å; N203-S230 WeakPolarHBondContact CB-OG 3.33Å; N203-S230 PolarHBondContact ND2-OG 2.99Å; N203-Q245 PolarHBondContact N-O 3.29Å; N203-L247 PolarHBondContact O-N 3.42Å
204I94.1Very high89.1Confident3 Ų341.5 Ų41.52%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-84.2103.8175.8-49.3-180000108V150 N151 C152 M153 V202 L247 P249V150-I204 HydrophobicContact CG1-CD1 3.83Å; V150-I204 HydrophobicContact CG1-CG1 4.2Å; N151-I204 PolarHBondContact O-N 3.29Å; C152-I204 HydrophobicContact CB-CB 4.38Å; C152-I204 HydrophobicContact CB-CD1 4.4Å; M153-I204 PolarHBondContact N-O 3.13Å; V202-I204 HydrophobicContact CG1-CG1 4.35Å; I204-L247 HydrophobicContact CG1-CB 4.48Å; I204-L247 HydrophobicContact CG1-CD1 4.12Å; I204-P249 HydrophobicContact CG2-CG 3.91Å
205S88.3Confident88.4Confident6 Ų640.8 Ų40.84%0.04222%0.215CC..  trans-97.5-142.9176.573.90000110.2N203 L247 P249N203-S205 PolarHBondContact O-N 2.76Å; S205-L247 WeakPolarHBondContact CA-O 3.47Å; S205-L247 WeakPolarHBondContact CB-O 3.47Å; S205-L247 PolarHBondContact N-O 2.96Å; S205-L247 PolarHBondContact OG-O 2.91Å; S205-P249 WeakPolarHBondContact O-CD 3.23Å; S205-P249 VanDerWaalsContact O-CG 3.27Å; S205-P249 WeakPolarHBondContact O-CG 3.27Å
206S86.9Confident87.8Confident27 Ų2735.3 Ų35.319%0.18919%0.187CC..  trans-153.9155.1173.5168.70000110.2S208 S209 P249S206-S208 PolarHBondContact O-N 3.26Å; S206-S208 PolarHBondContact OG-N 3.14Å; S206-S208 PolarHBondContact OG-OG 2.65Å; S206-S209 WeakPolarHBondContact O-CB 3.38Å; S206-S209 PolarHBondContact O-N 2.9Å; S206-S209 PolarHBondContact O-OG 3.18Å; S206-P249 CarbonylContact C-O 3.58Å; S206-P249 WeakPolarHBondContact CA-O 3.46Å
207G81.6Confident87.5Confident6 Ų635.2 Ų35.26%0.06220%0.196CC..G310 helixtrans-57-10.8169.900000114S209 C210 P249G207-S209 PolarHBondContact O-N 3.45Å; G207-C210 WeakPolarHBondContact O-CB 3.38Å; G207-C210 PolarHBondContact O-N 3.43Å; G207-C210 PolarHBondContact O-SG 2.97Å; G207-P249 PolarHBondContact N-O 3.18Å
208S81.2Confident87.1Confident12 Ų1232.6 Ų32.68%0.08418%0.175CC..G310 helixtrans-63.9-14.1169.2-54.60000113.7S206 C210 R216 L219 S220S206-S208 PolarHBondContact O-N 3.26Å; S206-S208 PolarHBondContact OG-N 3.14Å; S206-S208 PolarHBondContact OG-OG 2.65Å; S208-C210 VanDerWaalsContact C-N 3.26Å; S208-R216 PolarHBondContact OG-NH1 3.43Å; S208-L219 VanDerWaalsContact OG-CD2 3.31Å; S208-L219 WeakPolarHBondContact OG-CD2 3.23Å; S208-S220 WeakPolarHBondContact O-CB 3.33Å; S208-S220 PolarHBondContact O-OG 3.21Å
209S78Confident86.7Confident28 Ų2829.5 Ų29.520%0.19616%0.164CC..G310 helixtrans-71-21.3169.555.50000113S206 G207 T223S206-S209 WeakPolarHBondContact O-CB 3.38Å; S206-S209 PolarHBondContact O-N 2.9Å; S206-S209 PolarHBondContact O-OG 3.18Å; G207-S209 PolarHBondContact O-N 3.45Å; S209-T223 VanDerWaalsContact CA-OG1 3.29Å; S209-T223 WeakPolarHBondContact CA-OG1 3.47Å; S209-T223 WeakPolarHBondContact CB-OG1 3.46Å; S209-T223 PolarHBondContact N-OG1 3.1Å
210C79.3Confident86.3Confident41 Ų4130.4 Ų30.428%0.27717%0.171SC..THydrogen-bonded Turntrans-75.2-40.9-172-52.10000111.6G207 S208 Y293 M296G207-C210 WeakPolarHBondContact O-CB 3.38Å; G207-C210 PolarHBondContact O-N 3.43Å; G207-C210 PolarHBondContact O-SG 2.97Å; S208-C210 VanDerWaalsContact C-N 3.26Å; C210-Y293 HydrophobicContact CB-CE2 4.26Å; C210-Y293 WeakPolarHBondContact SG-CD2 3.44Å; C210-Y293 WeakPolarHBondContact SG-CE2 3.22Å; C210-M296 HydrophobicContact CB-CE 4.26Å
211R79.1Confident86Confident36 Ų3633.2 Ų33.214%0.13619%0.194CC..SBendtrans-148.4138.4175.7-70.2-152.3179.99213.1111.4M296 I299 W304R211-M296 VanDerWaalsContact NH1-C 3.34Å; R211-M296 PolarHBondContact NH1-O 3Å; R211-M296 PolarHBondContact NH2-O 3.05Å; R211-I299 PolarHBondContact NH2-O 3.48Å; R211-W304 HydrophobicContact CB-CD2 4.37Å; R211-W304 HydrophobicContact CB-CG 4.42Å; R211-W304 HydrophobicContact CB-CZ2 4.22Å; R211-W304 VanDerWaalsContact CD-CG 3.41Å
212P79.6Confident85.7Confident85 Ų8533.8 Ų33.855%0.55220%0.196SC*.  trans-57.8148.8171.1-23.133.7000112W304P212-W304 PolarHBondContact O-NE1 3.11Å
213R76.5Confident85.4Confident100 Ų10033.8 Ų33.838%0.37720%0.196SC..  trans-137.6145.9173.2-166-176.2-62.4163.6-1.3109.4R216 F312R213-R216 HydrophobicContact CB-CB 4.49Å; R213-R216 PolarHBondContact O-N 3.41Å; R213-F312 HydrophobicContact CG-CE2 3.83Å; R213-F312 HydrophobicContact CG-CZ 4.29Å
214H77Confident85.2Confident83 Ų8335.2 Ų35.238%0.38421%0.211SC..THydrogen-bonded Turntrans-53.1142.2173.1-64.387.7000111.1R216 S308 F312H214-R216 PolarHBondContact O-N 3.2Å; H214-S308 PolarHBondContact CE1-OG 3.46Å; H214-S308 PolarHBondContact ND1-OG 3.19Å; H214-S308 VanDerWaalsContact ND1-OG 3.13Å; H214-F312 HydrophobicContact CB-CD2 3.95Å; H214-F312 HydrophobicContact CB-CE2 4.3Å; H214-F312 HydrophobicContact CB-CG 4.31Å
215G80.8Confident85.2Confident27 Ų2739 Ų3928%0.27823%0.226SC..THydrogen-bonded Turntrans67.96.3-178.500000115.7P160 R161P160-G215 CarbonylContact C-O 3.52Å; P160-G215 VanDerWaalsContact CA-O 3.27Å; P160-G215 WeakPolarHBondContact CA-O 3.36Å; R161-G215 PolarHBondContact N-O 2.92Å; R161-G215 CarbonylContact O-C 3.48Å; R161-G215 VanDerWaalsContact O-O 3.04Å
216R85.2Confident85.4Confident47 Ų4738.9 Ų38.918%0.17723%0.225CC..  trans-12832.4-175.5-72.4-174.8146.8-163.71.1113.6A158 S208 R213 H214 M218 L219 S220A158-R216 PolarHBondContact O-NE 2.64Å; A158-R216 PolarHBondContact O-NH2 3.31Å; S208-R216 PolarHBondContact OG-NH1 3.43Å; R213-R216 HydrophobicContact CB-CB 4.49Å; R213-R216 PolarHBondContact O-N 3.41Å; H214-R216 PolarHBondContact O-N 3.2Å; R216-M218 PolarHBondContact O-N 2.99Å; R216-L219 HydrophobicContact CB-CB 4.43Å; R216-L219 HydrophobicContact CG-CD2 4.43Å; R216-L219 PolarHBondContact O-N 3.3Å; R216-S220 WeakPolarHBondContact O-CB 3.43Å; R216-S220 PolarHBondContact O-N 3.32Å
217V88.6Confident85.8Confident83 Ų8338.1 Ų38.150%0.50322%0.218SC..Hα-helixtrans-55.9-54.8-175.7179.40000111.5L163 L219 S220 A221L163-V217 HydrophobicContact CD2-CG1 4.49Å; V217-L219 PolarHBondContact O-N 3.29Å; V217-S220 PolarHBondContact O-N 3.48Å; V217-A221 WeakPolarHBondContact O-CB 3.37Å; V217-A221 PolarHBondContact O-N 2.94Å
218M89.1Confident86.4Confident24 Ų2443.5 Ų43.512%0.11824%0.242CC..Hα-helixtrans-62.2-46.2-178.3-66.9-72.7-85.500112L157 L163 V171 R174 V175 R216 S220 A221 F222L157-M218 HydrophobicContact CD2-CB 4.41Å; L163-M218 HydrophobicContact CD1-CG 3.91Å; L163-M218 HydrophobicContact CD1-SD 3.92Å; V171-M218 HydrophobicContact CB-CE 4.47Å; V171-M218 HydrophobicContact CG1-CE 3.72Å; V171-M218 HydrophobicContact CG1-SD 4.34Å; R174-M218 HydrophobicContact CB-CE 4.03Å; V175-M218 HydrophobicContact CG2-CE 4.02Å; R216-M218 PolarHBondContact O-N 2.99Å; M218-S220 PolarHBondContact O-N 3.49Å; M218-A221 PolarHBondContact O-N 3.35Å; M218-F222 HydrophobicContact CB-CE2 4.33Å; M218-F222 HydrophobicContact CB-CZ 4.38Å; M218-F222 HydrophobicContact CE-CE1 3.99Å; M218-F222 HydrophobicContact CE-CE2 3.99Å; M218-F222 HydrophobicContact CE-CZ 3.26Å; M218-F222 VanDerWaalsContact O-CB 3.32Å; M218-F222 WeakPolarHBondContact O-CB 3.41Å; M218-F222 WeakPolarHBondContact O-CD1 3.48Å; M218-F222 WeakPolarHBondContact O-CG 3.45Å; M218-F222 PolarHBondContact O-N 3.48Å; M218-F222 HydrophobicContact SD-CE1 4.16Å; M218-F222 HydrophobicContact SD-CZ 3.98Å
219L88.2Confident87.2Confident11 Ų1144.4 Ų44.46%0.05824%0.244CC..Hα-helixtrans-58.8-48.5177.4-179.466.8000111.5M153 L157 S208 R216 V217 F222 T223M153-L219 HydrophobicContact SD-CD1 3.67Å; L157-L219 HydrophobicContact CB-CB 4.11Å; L157-L219 HydrophobicContact CB-CD1 3.8Å; L157-L219 HydrophobicContact CB-CG 4.48Å; S208-L219 VanDerWaalsContact OG-CD2 3.31Å; S208-L219 WeakPolarHBondContact OG-CD2 3.23Å; R216-L219 HydrophobicContact CB-CB 4.43Å; R216-L219 HydrophobicContact CG-CD2 4.43Å; R216-L219 PolarHBondContact O-N 3.3Å; V217-L219 PolarHBondContact O-N 3.29Å; L219-F222 PolarHBondContact O-N 3.35Å; L219-T223 HydrophobicContact CD1-CG2 4.05Å; L219-T223 HydrophobicContact CG-CG2 4.43Å; L219-T223 WeakPolarHBondContact O-CB 3.23Å; L219-T223 WeakPolarHBondContact O-CG2 3.27Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 3.06Å
220S88.9Confident88.1Confident19 Ų1943.1 Ų43.113%0.13324%0.235CC..Hα-helixtrans-64.1-44.1-179.4-1680000111.4S208 R216 V217 M218 T223 G224S208-S220 WeakPolarHBondContact O-CB 3.33Å; S208-S220 PolarHBondContact O-OG 3.21Å; R216-S220 WeakPolarHBondContact O-CB 3.43Å; R216-S220 PolarHBondContact O-N 3.32Å; V217-S220 PolarHBondContact O-N 3.48Å; M218-S220 PolarHBondContact O-N 3.49Å; S220-T223 PolarHBondContact O-OG1 3.16Å; S220-G224 PolarHBondContact O-N 2.86Å
221A90.9Very high88.9Confident59 Ų5947 Ų4749%0.48824%0.244SC..Hα-helixtrans-62.9-46.3177.400000112.3V217 M218 T223 G224 Y225V217-A221 WeakPolarHBondContact O-CB 3.37Å; V217-A221 PolarHBondContact O-N 2.94Å; M218-A221 PolarHBondContact O-N 3.35Å; A221-T223 PolarHBondContact O-N 3.49Å; A221-G224 PolarHBondContact O-N 2.88Å; A221-Y225 PolarHBondContact O-N 3.44Å
222F91.8Very high89.7Confident12 Ų1247.5 Ų47.55%0.05326%0.256CS..Hα-helixtrans-67.4-39-178.1-66.4-6.3000112.4M153 L157 R174 V175 N178 I179 M218 L219 G224 Y225 L226M153-F222 HydrophobicContact CE-CB 3.64Å; M153-F222 HydrophobicContact SD-CB 4.02Å; L157-F222 HydrophobicContact CD1-CD2 3.54Å; L157-F222 HydrophobicContact CD1-CE2 3.95Å; L157-F222 HydrophobicContact CD2-CE2 4.46Å; R174-F222 HydrophobicContact CB-CE2 4.11Å; R174-F222 HydrophobicContact CB-CZ 4.39Å; R174-F222 WeakPolarHBondContact O-CE2 3.28Å; V175-F222 HydrophobicContact CB-CZ 4.22Å; V175-F222 HydrophobicContact CG2-CE1 3.89Å; V175-F222 HydrophobicContact CG2-CZ 3.67Å; N178-F222 HydrophobicContact CB-CD2 3.83Å; N178-F222 HydrophobicContact CB-CE2 4.17Å; I179-F222 HydrophobicContact CD1-CB 3.84Å; I179-F222 HydrophobicContact CD1-CD1 3.8Å; I179-F222 HydrophobicContact CD1-CG 3.88Å; I179-F222 HydrophobicContact CG1-CD1 3.76Å; I179-F222 HydrophobicContact CG1-CE1 4.02Å; I179-F222 HydrophobicContact CG1-CG 4.13Å; M218-F222 HydrophobicContact CB-CE2 4.33Å; M218-F222 HydrophobicContact CB-CZ 4.38Å; M218-F222 HydrophobicContact CE-CE1 3.99Å; M218-F222 HydrophobicContact CE-CE2 3.99Å; M218-F222 HydrophobicContact CE-CZ 3.26Å; M218-F222 VanDerWaalsContact O-CB 3.32Å; M218-F222 WeakPolarHBondContact O-CB 3.41Å; M218-F222 WeakPolarHBondContact O-CD1 3.48Å; M218-F222 WeakPolarHBondContact O-CG 3.45Å; M218-F222 PolarHBondContact O-N 3.48Å; M218-F222 HydrophobicContact SD-CE1 4.16Å; M218-F222 HydrophobicContact SD-CZ 3.98Å; L219-F222 PolarHBondContact O-N 3.35Å; F222-G224 VanDerWaalsContact C-N 3.33Å; F222-Y225 WeakPolarHBondContact O-CB 3.38Å; F222-Y225 PolarHBondContact O-N 3.35Å; F222-L226 PolarHBondContact O-N 3.48Å
223T90.8Very high90.6Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-70-35.6179.253.50000110.6M153 S209 L219 S220 A221 L226 D227M153-T223 HydrophobicContact CE-CG2 3.46Å; M153-T223 VanDerWaalsContact CE-CG2 3.46Å; M153-T223 HydrophobicContact SD-CG2 3.46Å; M153-T223 WeakPolarHBondContact SD-CG2 3.38Å; S209-T223 VanDerWaalsContact CA-OG1 3.29Å; S209-T223 WeakPolarHBondContact CA-OG1 3.47Å; S209-T223 WeakPolarHBondContact CB-OG1 3.46Å; S209-T223 PolarHBondContact N-OG1 3.1Å; L219-T223 HydrophobicContact CD1-CG2 4.05Å; L219-T223 HydrophobicContact CG-CG2 4.43Å; L219-T223 WeakPolarHBondContact O-CB 3.23Å; L219-T223 WeakPolarHBondContact O-CG2 3.27Å; L219-T223 PolarHBondContact O-N 3.48Å; L219-T223 PolarHBondContact O-OG1 3.06Å; S220-T223 PolarHBondContact O-OG1 3.16Å; A221-T223 PolarHBondContact O-N 3.49Å; T223-L226 PolarHBondContact O-N 2.89Å; T223-D227 WeakPolarHBondContact O-CB 3.43Å; T223-D227 PolarHBondContact O-N 3.37Å
224G92.5Very high91.5Very high30 Ų3041 Ų4131%0.30922%0.223SC..Hα-helixtrans-61.3-43.616900000112.6S220 A221 F222 H228S220-G224 PolarHBondContact O-N 2.86Å; A221-G224 PolarHBondContact O-N 2.88Å; F222-G224 VanDerWaalsContact C-N 3.33Å; G224-H228 WeakPolarHBondContact O-CB 3.47Å; G224-H228 PolarHBondContact O-N 3.32Å
225Y94.6Very high92.4Very high83 Ų8345.8 Ų45.833%0.32524%0.243SC..Hα-helixtrans-58.8-52.9173.4175.7-86.2000111.5I179 T183 A221 F222 D227 H228 F229I179-Y225 HydrophobicContact CB-CE1 4.49Å; I179-Y225 HydrophobicContact CD1-CD1 3.42Å; I179-Y225 VanDerWaalsContact CD1-CD1 3.42Å; I179-Y225 HydrophobicContact CD1-CE1 4.2Å; I179-Y225 HydrophobicContact CD1-CG 3.7Å; I179-Y225 HydrophobicContact CG1-CD1 4.47Å; I179-Y225 HydrophobicContact CG2-CD1 3.84Å; I179-Y225 HydrophobicContact CG2-CD2 4.15Å; I179-Y225 HydrophobicContact CG2-CE1 3.59Å; I179-Y225 HydrophobicContact CG2-CE2 3.9Å; I179-Y225 HydrophobicContact CG2-CG 4.13Å; T183-Y225 PolarHBondContact OG1-OH 2.88Å; A221-Y225 PolarHBondContact O-N 3.44Å; F222-Y225 WeakPolarHBondContact O-CB 3.38Å; F222-Y225 PolarHBondContact O-N 3.35Å; Y225-D227 PolarHBondContact O-N 3.28Å; Y225-H228 PolarHBondContact O-N 2.82Å; Y225-F229 HydrophobicContact CD1-CB 4.25Å; Y225-F229 HydrophobicContact CE1-CB 3.93Å; Y225-F229 HydrophobicContact CE1-CD1 4.4Å; Y225-F229 HydrophobicContact CE1-CD2 4.4Å; Y225-F229 HydrophobicContact CE1-CG 4.01Å; Y225-F229 WeakPolarHBondContact O-CB 3.35Å; Y225-F229 PolarHBondContact O-N 3.34Å
226L93.6Very high93.2Very high3 Ų349.4 Ų49.42%0.01625%0.253CS..Hα-helixtrans-63-39.7-177.5-74.5-175.4000112.7M153 A182 F222 T223 S230M153-L226 HydrophobicContact CB-CD1 4.46Å; M153-L226 HydrophobicContact CE-CD1 3.43Å; M153-L226 VanDerWaalsContact CE-CD1 3.43Å; M153-L226 HydrophobicContact CE-CG 4.11Å; A182-L226 HydrophobicContact CB-CD2 3.65Å; F222-L226 PolarHBondContact O-N 3.48Å; T223-L226 PolarHBondContact O-N 2.89Å; L226-S230 WeakPolarHBondContact O-CB 3.28Å; L226-S230 PolarHBondContact O-N 3.04Å; L226-S230 PolarHBondContact O-OG 2.8Å
227D94.1Very high93.7Very high11 Ų1149.1 Ų49.16%0.05925%0.252CS..Hα-helixtrans-61.9-48.4174.917854.8000111T223 Y225 S230 R231 S246 R282T223-D227 WeakPolarHBondContact O-CB 3.43Å; T223-D227 PolarHBondContact O-N 3.37Å; Y225-D227 PolarHBondContact O-N 3.28Å; D227-S230 PolarHBondContact O-N 2.96Å; D227-R231 WeakPolarHBondContact O-CD 3.43Å; D227-R231 VanDerWaalsContact O-CG 3.29Å; D227-R231 WeakPolarHBondContact O-CG 3.46Å; D227-R231 PolarHBondContact O-N 3.2Å; D227-S246 PolarHBondContact OD1-OG 2.81Å; D227-R282 IonicContact OD1-CZ 2.73Å; D227-R282 IonicContact OD1-NE 2.84Å; D227-R282 PolarHBondContact OD1-NE 2.73Å; D227-R282 IonicContact OD1-NH2 3.36Å; D227-R282 IonicContact OD2-CZ 3.77Å; D227-R282 IonicContact OD2-NE 2.64Å; D227-R282 PolarHBondContact OD2-NE 2.84Å; D227-R282 IonicContact OD2-NH2 3.75Å; D227-R282 PolarHBondContact OD2-NH2 2.92Å
228H95.4Very high93.9Very high120 Ų12047.9 Ų47.956%0.55625%0.247SC*.Hα-helixtrans-67.4-43.5179.7-164.981.9000112.4G224 Y225 S230 R231 A232G224-H228 WeakPolarHBondContact O-CB 3.47Å; G224-H228 PolarHBondContact O-N 3.32Å; Y225-H228 PolarHBondContact O-N 2.82Å; H228-S230 VanDerWaalsContact C-N 3.33Å; H228-S230 PolarHBondContact O-N 3.46Å; H228-R231 PolarHBondContact O-N 3.03Å; H228-R231 VanDerWaalsContact O-N 3.15Å; H228-A232 WeakPolarHBondContact O-CB 3.29Å; H228-A232 PolarHBondContact O-N 3.05Å
229F96.4Very high94.2Very high30 Ų3053.1 Ų53.113%0.13228%0.275CS..Hα-helixtrans-56.7-46.2176.3178.3-115.5000111.4T183 A186 Y225 R231 A232 L233T183-F229 HydrophobicContact CG2-CE2 4.43Å; T183-F229 HydrophobicContact CG2-CZ 4.4Å; A186-F229 HydrophobicContact CB-CE1 4.09Å; A186-F229 HydrophobicContact CB-CZ 3.91Å; Y225-F229 HydrophobicContact CD1-CB 4.25Å; Y225-F229 HydrophobicContact CE1-CB 3.93Å; Y225-F229 HydrophobicContact CE1-CD1 4.4Å; Y225-F229 HydrophobicContact CE1-CD2 4.4Å; Y225-F229 HydrophobicContact CE1-CG 4.01Å; Y225-F229 WeakPolarHBondContact O-CB 3.35Å; Y225-F229 PolarHBondContact O-N 3.34Å; F229-R231 VanDerWaalsContact C-N 3.33Å; F229-R231 PolarHBondContact O-N 2.83Å; F229-A232 PolarHBondContact O-N 3Å; F229-L233 HydrophobicContact CD1-CD1 3.99Å; F229-L233 HydrophobicContact CD2-CD1 4.47Å; F229-L233 HydrophobicContact CD2-CG 4.38Å; F229-L233 HydrophobicContact CE1-CD1 3.48Å; F229-L233 VanDerWaalsContact CE1-CD1 3.48Å; F229-L233 HydrophobicContact CE1-CG 4.37Å; F229-L233 HydrophobicContact CE2-CD1 4.01Å; F229-L233 HydrophobicContact CE2-CD2 4.27Å; F229-L233 HydrophobicContact CE2-CG 4.07Å; F229-L233 HydrophobicContact CG-CD1 4.46Å; F229-L233 HydrophobicContact CZ-CD1 3.5Å; F229-L233 HydrophobicContact CZ-CD2 4.35Å; F229-L233 HydrophobicContact CZ-CG 4.07Å; F229-L233 WeakPolarHBondContact O-CG 3.47Å; F229-L233 PolarHBondContact O-N 2.79Å
230S96.9Very high94.6Very high2 Ų256.2 Ų56.21%0.01429%0.288CS..Hα-helixtrans-60.4-42.4176.5-55.40000112.3N203 L226 D227 H228 Q234 I244N203-S230 WeakPolarHBondContact CB-OG 3.33Å; N203-S230 PolarHBondContact ND2-OG 2.99Å; L226-S230 WeakPolarHBondContact O-CB 3.28Å; L226-S230 PolarHBondContact O-N 3.04Å; L226-S230 PolarHBondContact O-OG 2.8Å; D227-S230 PolarHBondContact O-N 2.96Å; H228-S230 VanDerWaalsContact C-N 3.33Å; H228-S230 PolarHBondContact O-N 3.46Å; S230-Q234 WeakPolarHBondContact O-CB 3.37Å; S230-Q234 PolarHBondContact O-N 3Å; S230-I244 VanDerWaalsContact O-CG2 3.27Å; S230-I244 WeakPolarHBondContact O-CG2 3.37Å
231R95.9Very high94.8Very high123 Ų12357.2 Ų57.246%0.46430%0.302SS..Hα-helixtrans-68.7-39.9179.5-69.2166.560.1-160.5-5.8111.9D227 H228 F229 Q234 F235D227-R231 WeakPolarHBondContact O-CD 3.43Å; D227-R231 VanDerWaalsContact O-CG 3.29Å; D227-R231 WeakPolarHBondContact O-CG 3.46Å; D227-R231 PolarHBondContact O-N 3.2Å; H228-R231 PolarHBondContact O-N 3.03Å; H228-R231 VanDerWaalsContact O-N 3.15Å; F229-R231 VanDerWaalsContact C-N 3.33Å; F229-R231 PolarHBondContact O-N 2.83Å; R231-Q234 PolarHBondContact O-N 3.05Å; R231-F235 PolarHBondContact O-N 2.92Å
232A97.4Very high95.1Very high46 Ų4654.6 Ų54.638%0.3828%0.28SS..Hα-helixtrans-63-48.9175.700000110.9H228 F229 Q234 F235 E236H228-A232 WeakPolarHBondContact O-CB 3.29Å; H228-A232 PolarHBondContact O-N 3.05Å; F229-A232 PolarHBondContact O-N 3Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-Q234 PolarHBondContact O-N 2.93Å; A232-F235 PolarHBondContact O-N 2.61Å; A232-E236 PolarHBondContact O-N 2.8Å
233L96.9Very high95.4Very high13 Ų1355.3 Ų55.37%0.06828%0.283CS..Hα-helixtrans-59.3-44.2174.5-70.3178.6000111.3A186 L190 F229 F235 E236 Y237 I244A186-L233 HydrophobicContact CB-CD1 4.25Å; L190-L233 HydrophobicContact CD1-CD2 4.03Å; F229-L233 HydrophobicContact CD1-CD1 3.99Å; F229-L233 HydrophobicContact CD2-CD1 4.47Å; F229-L233 HydrophobicContact CD2-CG 4.38Å; F229-L233 HydrophobicContact CE1-CD1 3.48Å; F229-L233 VanDerWaalsContact CE1-CD1 3.48Å; F229-L233 HydrophobicContact CE1-CG 4.37Å; F229-L233 HydrophobicContact CE2-CD1 4.01Å; F229-L233 HydrophobicContact CE2-CD2 4.27Å; F229-L233 HydrophobicContact CE2-CG 4.07Å; F229-L233 HydrophobicContact CG-CD1 4.46Å; F229-L233 HydrophobicContact CZ-CD1 3.5Å; F229-L233 HydrophobicContact CZ-CD2 4.35Å; F229-L233 HydrophobicContact CZ-CG 4.07Å; F229-L233 WeakPolarHBondContact O-CG 3.47Å; F229-L233 PolarHBondContact O-N 2.79Å; L233-F235 PolarHBondContact O-N 3.26Å; L233-E236 PolarHBondContact O-N 3.42Å; L233-E236 VanDerWaalsContact O-N 3.14Å; L233-Y237 HydrophobicContact CB-CD2 4.4Å; L233-Y237 HydrophobicContact CD2-CD2 4.01Å; L233-Y237 HydrophobicContact CD2-CE2 3.71Å; L233-Y237 WeakPolarHBondContact O-CD2 3.1Å; L233-Y237 PolarHBondContact O-N 3.35Å; L233-I244 HydrophobicContact CB-CD1 3.7Å; L233-I244 HydrophobicContact CB-CG1 4.39Å; L233-I244 HydrophobicContact CB-CG2 4.2Å; L233-I244 WeakPolarHBondContact O-CD1 3.46Å
234Q96.7Very high95.7Very high34 Ų3455.4 Ų55.416%0.15928%0.283CS..Hα-helixtrans-58.5-41.8179177.459.725.900111S230 R231 A232 S238 I244 T281S230-Q234 WeakPolarHBondContact O-CB 3.37Å; S230-Q234 PolarHBondContact O-N 3Å; R231-Q234 PolarHBondContact O-N 3.05Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-Q234 PolarHBondContact O-N 2.93Å; Q234-S238 WeakPolarHBondContact O-CB 3.07Å; Q234-S238 PolarHBondContact O-N 3.19Å; Q234-S238 PolarHBondContact O-OG 3.15Å; Q234-S238 VanDerWaalsContact O-OG 3.05Å; Q234-I244 HydrophobicContact CB-CB 4.07Å; Q234-I244 PolarHBondContact OE1-O 2.87Å; Q234-T281 HydrophobicContact CG-CG2 3.75Å
235F95.9Very high96Very high184 Ų18454 Ų5481%0.80727%0.268SS*.Hα-helixtrans-65.2-39.9178-167.8-103.8000112R231 A232 L233R231-F235 PolarHBondContact O-N 2.92Å; A232-F235 PolarHBondContact O-N 2.61Å; L233-F235 PolarHBondContact O-N 3.26Å
236E96.7Very high96.1Very high104 Ų10450 Ų5049%0.48625%0.253SS..Hα-helixtrans-76.8-33.6-177.8-172.2-177.4153.300114.3A232 L233 N239A232-E236 PolarHBondContact O-N 2.8Å; L233-E236 PolarHBondContact O-N 3.42Å; L233-E236 VanDerWaalsContact O-N 3.14Å; E236-N239 PolarHBondContact O-OD1 3.44Å
237Y96.7Very high96.2Very high41 Ų4149.9 Ų49.916%0.16125%0.252CS..Hα-helixtrans-113.3-4.1-170.6-65.1-89.3000114.6L190 V194 L233 N239 K240 I242L190-Y237 HydrophobicContact CD1-CE2 4.18Å; L190-Y237 HydrophobicContact CD2-CD1 4.43Å; L190-Y237 HydrophobicContact CD2-CG 4.47Å; V194-Y237 HydrophobicContact CG2-CD1 3.71Å; V194-Y237 HydrophobicContact CG2-CE1 4.02Å; L233-Y237 HydrophobicContact CB-CD2 4.4Å; L233-Y237 HydrophobicContact CD2-CD2 4.01Å; L233-Y237 HydrophobicContact CD2-CE2 3.71Å; L233-Y237 WeakPolarHBondContact O-CD2 3.1Å; L233-Y237 PolarHBondContact O-N 3.35Å; Y237-N239 VanDerWaalsContact C-N 3.28Å; Y237-N239 PolarHBondContact O-N 3.03Å; Y237-K240 HydrophobicContact CD1-CD 3.73Å; Y237-K240 HydrophobicContact CE1-CD 4.29Å; Y237-K240 WeakPolarHBondContact O-CA 3.32Å; Y237-K240 WeakPolarHBondContact O-CB 3.43Å; Y237-K240 PolarHBondContact O-N 3.41Å; Y237-I242 PolarHBondContact O-N 3.04Å
238S92.8Very high96.1Very high57 Ų5749.5 Ų49.540%0.39925%0.25SS..G310 helixtrans-59.1-36.4-179.752.90000113.9Q234 K240 G241Q234-S238 WeakPolarHBondContact O-CB 3.07Å; Q234-S238 PolarHBondContact O-N 3.19Å; Q234-S238 PolarHBondContact O-OG 3.15Å; Q234-S238 VanDerWaalsContact O-OG 3.05Å; S238-K240 PolarHBondContact O-N 3.42Å; S238-G241 PolarHBondContact O-N 2.9Å
239N94.8Very high96Very high133 Ų13344.1 Ų44.171%0.71123%0.226SC*.G310 helixtrans-74.4-9.1176.364.8-17.8000113.5E236 Y237E236-N239 PolarHBondContact O-OD1 3.44Å; Y237-N239 VanDerWaalsContact C-N 3.28Å; Y237-N239 PolarHBondContact O-N 3.03Å
240K96.4Very high95.7Very high76 Ų7644 Ų4433%0.3323%0.225SC..G310 helixtrans-98.914.3176.8-60.6170.3-175.4172.70112.3V194 S197 Y237 S238 I242V194-K240 HydrophobicContact CG1-CB 4.45Å; V194-K240 HydrophobicContact CG1-CD 3.94Å; V194-K240 HydrophobicContact CG1-CG 4.49Å; V194-K240 HydrophobicContact CG2-CB 4.31Å; V194-K240 HydrophobicContact CG2-CD 3.93Å; S197-K240 CarbonylContact C-O 3.58Å; S197-K240 WeakPolarHBondContact CA-O 3.35Å; Y237-K240 HydrophobicContact CD1-CD 3.73Å; Y237-K240 HydrophobicContact CE1-CD 4.29Å; Y237-K240 WeakPolarHBondContact O-CA 3.32Å; Y237-K240 WeakPolarHBondContact O-CB 3.43Å; Y237-K240 PolarHBondContact O-N 3.41Å; S238-K240 PolarHBondContact O-N 3.42Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 HydrophobicContact CB-CG1 4.4Å; K240-I242 PolarHBondContact O-N 3.09Å
241G93.8Very high95.3Very high41 Ų4150.1 Ų50.142%0.42325%0.254SS..THydrogen-bonded Turntrans76.111.7178.900000114.9S238S238-G241 PolarHBondContact O-N 2.9Å
242I97.5Very high94.9Very high4 Ų445.9 Ų45.92%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-94.5129.2180-45.4-47.8000109.8L190 M193 V194 Y237 K240 I244L190-I242 HydrophobicContact CD2-CG2 4.11Å; M193-I242 HydrophobicContact CB-CD1 3.65Å; M193-I242 WeakPolarHBondContact O-CD1 3.47Å; V194-I242 HydrophobicContact CG2-CG1 4.17Å; Y237-I242 PolarHBondContact O-N 3.04Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 HydrophobicContact CB-CG1 4.4Å; K240-I242 PolarHBondContact O-N 3.09Å; I242-I244 HydrophobicContact CB-CD1 4.49Å; I242-I244 HydrophobicContact CG2-CD1 4.05Å; I242-I244 HydrophobicContact CG2-CG1 4.03Å
243F97.4Very high94.3Very high27 Ų2743.9 Ų43.912%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-100.1117.4175.3-173.7-94.6000110.8Y67 G199 A200 V201 Q245 L277 G278 S280 T281Y67-F243 HydrophobicContact CE1-CB 3.83Å; G199-F243 PolarHBondContact O-N 3.25Å; A200-F243 CarbonylContact C-O 3.52Å; A200-F243 WeakPolarHBondContact CA-O 3.25Å; V201-F243 PolarHBondContact N-O 3Å; F243-Q245 HydrophobicContact CD1-CB 4.48Å; F243-Q245 HydrophobicContact CE1-CB 3.88Å; F243-Q245 HydrophobicContact CE1-CG 4.46Å; F243-L277 HydrophobicContact CD1-CD1 3.95Å; F243-L277 HydrophobicContact CE1-CD1 3.97Å; F243-G278 VanDerWaalsContact CZ-N 3.27Å; F243-S280 WeakPolarHBondContact CZ-O 3.5Å; F243-T281 HydrophobicContact CD2-CG2 4.49Å; F243-T281 HydrophobicContact CE2-CG2 3.79Å; F243-T281 HydrophobicContact CZ-CG2 4.09Å
244I97.8Very high93Very high1 Ų148.6 Ų48.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-115.4129.4-179.5-61.6137.4000109.4V201 S230 L233 Q234 I242 T281V201-I244 HydrophobicContact CB-CB 4.45Å; V201-I244 HydrophobicContact CB-CG1 3.87Å; V201-I244 HydrophobicContact CB-CG2 4.26Å; V201-I244 HydrophobicContact CG2-CG1 4.14Å; V201-I244 CarbonylContact O-C 3.52Å; V201-I244 VanDerWaalsContact O-CA 3.3Å; V201-I244 WeakPolarHBondContact O-CA 3.3Å; S230-I244 VanDerWaalsContact O-CG2 3.27Å; S230-I244 WeakPolarHBondContact O-CG2 3.37Å; L233-I244 HydrophobicContact CB-CD1 3.7Å; L233-I244 HydrophobicContact CB-CG1 4.39Å; L233-I244 HydrophobicContact CB-CG2 4.2Å; L233-I244 WeakPolarHBondContact O-CD1 3.46Å; Q234-I244 HydrophobicContact CB-CB 4.07Å; Q234-I244 PolarHBondContact OE1-O 2.87Å; I242-I244 HydrophobicContact CB-CD1 4.49Å; I242-I244 HydrophobicContact CG2-CD1 4.05Å; I242-I244 HydrophobicContact CG2-CG1 4.03Å; I244-T281 WeakPolarHBondContact O-CB 3.47Å
245Q97.4Very high91.7Very high0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-124128.6-175.6-170.3175.661.500111.2V201 V202 N203 F243 L247 T276 S280 T281 T283V201-Q245 PolarHBondContact O-N 2.74Å; V202-Q245 WeakPolarHBondContact CA-O 3.29Å; V202-Q245 HydrophobicContact CG2-CB 4.46Å; N203-Q245 PolarHBondContact N-O 3.29Å; F243-Q245 HydrophobicContact CD1-CB 4.48Å; F243-Q245 HydrophobicContact CE1-CB 3.88Å; F243-Q245 HydrophobicContact CE1-CG 4.46Å; Q245-L247 HydrophobicContact CG-CD2 4.12Å; Q245-L247 HydrophobicContact CG-CG 4.27Å; Q245-T276 PolarHBondContact NE2-O 3.3Å; Q245-T276 PolarHBondContact NE2-OG1 3.48Å; Q245-S280 WeakPolarHBondContact CG-O 3.15Å; Q245-S280 PolarHBondContact NE2-O 2.92Å; Q245-T281 CarbonylContact C-O 3.6Å; Q245-T281 WeakPolarHBondContact CA-O 3.36Å; Q245-T283 HydrophobicContact CG-CG2 4.49Å
246S96.7Very high90.1Very high0 Ų045.4 Ų45.40%026%0.262CS..EExtended strand (participates in β ladder)trans-94.1119.2161.1-1740000109.9D227 T281 R282 T283D227-S246 PolarHBondContact OD1-OG 2.81Å; S246-T281 PolarHBondContact N-O 2.71Å; S246-R282 WeakPolarHBondContact O-CA 3.42Å; S246-T283 PolarHBondContact O-N 3.46Å
247L95.9Very high88.4Confident0 Ų045.8 Ų45.80%028%0.275CS..EExtended strand (participates in β ladder)trans-96.3128.6169.8-69.1179.6000109.4Y84 V202 N203 I204 S205 Q245 P249 A273 T283Y84-L247 HydrophobicContact CE2-CD1 4Å; V202-L247 HydrophobicContact CG1-CD1 3.47Å; V202-L247 VanDerWaalsContact CG1-CD1 3.47Å; V202-L247 HydrophobicContact CG1-CG 3.94Å; N203-L247 PolarHBondContact O-N 3.42Å; I204-L247 HydrophobicContact CG1-CB 4.48Å; I204-L247 HydrophobicContact CG1-CD1 4.12Å; S205-L247 WeakPolarHBondContact CA-O 3.47Å; S205-L247 WeakPolarHBondContact CB-O 3.47Å; S205-L247 PolarHBondContact N-O 2.96Å; S205-L247 PolarHBondContact OG-O 2.91Å; Q245-L247 HydrophobicContact CG-CD2 4.12Å; Q245-L247 HydrophobicContact CG-CG 4.27Å; L247-P249 VanDerWaalsContact O-CD 3.25Å; L247-P249 WeakPolarHBondContact O-CD 3.45Å; L247-A273 HydrophobicContact CD1-CB 3.95Å; L247-A273 HydrophobicContact CD2-CB 4.48Å; L247-T283 CarbonylContact C-O 3.5Å; L247-T283 VanDerWaalsContact CA-O 3.3Å; L247-T283 WeakPolarHBondContact CA-O 3.4Å; L247-T283 HydrophobicContact CD2-CG2 3.54Å
248I93.5Very high87Confident4 Ų445.9 Ų45.92%0.02129%0.285CS..  trans-120.567.6-176.7-48.2175.9000109.2R282 T283 T284I248-R282 HydrophobicContact CD1-CG 3.95Å; I248-T283 PolarHBondContact N-O 3.42Å; I248-T284 WeakPolarHBondContact O-CA 3.36Å; I248-T284 WeakPolarHBondContact O-CB 3.48Å
249P92.3Very high86.4Confident7 Ų748 Ų485%0.04529%0.289CS..  trans-64.7148.217824-32000112.1I204 S205 S206 G207 L247 I252 Y269I204-P249 HydrophobicContact CG2-CG 3.91Å; S205-P249 WeakPolarHBondContact O-CD 3.23Å; S205-P249 VanDerWaalsContact O-CG 3.27Å; S205-P249 WeakPolarHBondContact O-CG 3.27Å; S206-P249 CarbonylContact C-O 3.58Å; S206-P249 WeakPolarHBondContact CA-O 3.46Å; G207-P249 PolarHBondContact N-O 3.18Å; L247-P249 VanDerWaalsContact O-CD 3.25Å; L247-P249 WeakPolarHBondContact O-CD 3.45Å; P249-I252 HydrophobicContact CB-CD1 3.93Å; P249-I252 HydrophobicContact CB-CG1 4.41Å; P249-Y269 HydrophobicContact CB-CE1 4.42Å; P249-Y269 HydrophobicContact CB-CE2 3.69Å; P249-Y269 WeakPolarHBondContact CB-OH 3.36Å
250F90Very high85.9Confident26 Ų2643.6 Ų43.611%0.11428%0.275CS..  trans-90.6-151.6161-71.2-94.3000109.5I252 T284 H289 Q292 Y293 M296F250-I252 PolarHBondContact O-N 3.33Å; F250-T284 HydrophobicContact CE2-CG2 4.14Å; F250-H289 HydrophobicContact CD2-CB 3.75Å; F250-H289 AromaticContact CD2-CG 3.92Å; F250-H289 PolarHBondContact N-CE1 3.39Å; F250-H289 VanDerWaalsContact N-CE1 3.31Å; F250-H289 PolarHBondContact N-ND1 3.31Å; F250-Q292 HydrophobicContact CD1-CG 4.3Å; F250-Q292 HydrophobicContact CE1-CG 4.39Å; F250-Q292 HydrophobicContact CG-CG 4.48Å; F250-Y293 HydrophobicContact CE2-CD2 4.28Å; F250-Y293 HydrophobicContact CZ-CD2 4.06Å; F250-M296 HydrophobicContact CD1-SD 4.4Å; F250-M296 HydrophobicContact CE1-CE 4.38Å; F250-M296 HydrophobicContact CE1-SD 3.43Å; F250-M296 WeakPolarHBondContact CE1-SD 3.3Å; F250-M296 HydrophobicContact CZ-SD 3.99Å
251Q88.1Confident85.5Confident132 Ų13246.6 Ų46.662%0.61728%0.284SS*.  trans-58.5132.7179.9-172.1171.6-39.100110.1A263 H289Q251-A263 HydrophobicContact CB-CB 4.42Å; Q251-A263 HydrophobicContact CG-CB 4.12Å; Q251-A263 WeakPolarHBondContact O-CA 3.39Å; Q251-H289 PolarHBondContact O-CE1 3Å; Q251-H289 VanDerWaalsContact O-CE1 3.26Å; Q251-H289 PolarHBondContact O-NE2 3.43Å; Q251-H289 VanDerWaalsContact O-NE2 3.11Å
252I87.5Confident85.3Confident33 Ų3348.4 Ų48.417%0.16928%0.28CS..  trans-119.1137.2170.2-59.1174.8000105V80 P249 F250 P264 P266 Y269V80-I252 HydrophobicContact CB-CD1 4Å; V80-I252 HydrophobicContact CG2-CD1 3.6Å; P249-I252 HydrophobicContact CB-CD1 3.93Å; P249-I252 HydrophobicContact CB-CG1 4.41Å; F250-I252 PolarHBondContact O-N 3.33Å; I252-P264 WeakPolarHBondContact CG2-O 3.22Å; I252-P266 HydrophobicContact CG2-CB 4.36Å; I252-P266 HydrophobicContact CG2-CG 4.02Å; I252-Y269 HydrophobicContact CD1-CD1 3.78Å; I252-Y269 HydrophobicContact CD1-CD2 3.95Å; I252-Y269 HydrophobicContact CD1-CE1 4.14Å; I252-Y269 HydrophobicContact CD1-CE2 4.32Å; I252-Y269 HydrophobicContact CD1-CG 3.68Å; I252-Y269 HydrophobicContact CG1-CD2 4.26Å; I252-Y269 HydrophobicContact CG1-CG 4.26Å
253S84.8Confident84.9Confident4 Ų448.7 Ų48.73%0.02828%0.283CS..  trans-78.2133.2-173.8-64.60000111A258 E259 A263 P264 P266S253-A258 VanDerWaalsContact OG-C 3.25Å; S253-A258 PolarHBondContact OG-O 3.41Å; S253-E259 WeakPolarHBondContact OG-CA 3.37Å; S253-A263 VanDerWaalsContact OG-CB 3.29Å; S253-A263 WeakPolarHBondContact OG-CB 3.21Å; S253-A263 PolarHBondContact OG-O 3.35Å; S253-P264 PolarHBondContact N-O 2.83Å; S253-P266 WeakPolarHBondContact O-CD 3.46Å
254S70.8Confident84.7Confident112 Ų11247.7 Ų47.778%0.78328%0.279SS*.SBendtrans-87.8-13.2175.854.40000113
255S68.1Low84.5Confident49 Ų4948 Ų4834%0.34328%0.282SS..SBendtrans-142.4152.1176.866.40000111S257 A258S255-S257 PolarHBondContact O-N 2.92Å; S255-S257 PolarHBondContact OG-OG 3.19Å; S255-A258 PolarHBondContact O-N 3.42Å
256S64.1Low84.2Confident103 Ų10348.7 Ų48.772%0.7229%0.286SS*.G310 helixtrans-58.4-29.4177.554.20000113.3A258 E259S256-A258 VanDerWaalsContact C-N 3.29Å; S256-A258 PolarHBondContact O-N 3.5Å; S256-E259 PolarHBondContact O-N 2.96Å
257S59.7Low84.1Confident111 Ų11152.8 Ų52.878%0.77631%0.305SS*.G310 helixtrans-71.1-19.8176.255.60000114.6S255S255-S257 PolarHBondContact O-N 2.92Å; S255-S257 PolarHBondContact OG-OG 3.19Å
258A66.9Low84Confident44 Ų4455.1 Ų55.136%0.36432%0.319SS..G310 helixtrans-1013.8179.600000112.4S253 S255 S256S253-A258 VanDerWaalsContact OG-C 3.25Å; S253-A258 PolarHBondContact OG-O 3.41Å; S255-A258 PolarHBondContact O-N 3.42Å; S256-A258 VanDerWaalsContact C-N 3.29Å; S256-A258 PolarHBondContact O-N 3.5Å
259E80.6Confident84.1Confident102 Ų10254.9 Ų54.948%0.47732%0.318SS..  trans-69.2138.6179.5-72.4-179.6-161.900112S253 S256 A263 S265S253-E259 WeakPolarHBondContact OG-CA 3.37Å; S256-E259 PolarHBondContact O-N 2.96Å; E259-A263 WeakPolarHBondContact CA-O 3.42Å; E259-S265 VanDerWaalsContact OE1-CB 3.28Å; E259-S265 WeakPolarHBondContact OE1-CB 3.42Å
260G85Confident84.2Confident40 Ų4054.6 Ų54.641%0.41232%0.316SS..BIsolated β-bridgetrans-163.4176.8177.500000111.6F262 A263G260-F262 VanDerWaalsContact C-N 3.26Å; G260-F262 PolarHBondContact O-N 3.31Å; G260-A263 PolarHBondContact N-O 2.98Å; G260-A263 CarbonylContact O-C 3.56Å; G260-A263 PolarHBondContact O-N 3.07Å
261W87.4Confident84.4Confident138 Ų13858.9 Ų58.952%0.52333%0.332SS..THydrogen-bonded Turntrans-61.8-31.6-174-175.341.9000114.1Y286 W287 P288 L291W261-Y286 WeakPolarHBondContact O-CE1 3.49Å; W261-W287 AromaticContact CE2-CH2 3.93Å; W261-W287 AromaticContact CZ2-CH2 3.53Å; W261-W287 HydrophobicContact CZ2-CH2 3.53Å; W261-W287 HydrophobicContact CZ2-CZ2 4.31Å; W261-W287 AromaticContact CZ2-CZ3 3.94Å; W261-W287 HydrophobicContact CZ2-CZ3 3.94Å; W261-W287 AromaticContact NE1-CH2 3.69Å; W261-W287 AromaticContact NE1-CZ2 3.56Å; W261-P288 WeakPolarHBondContact O-CB 3.43Å; W261-L291 HydrophobicContact CH2-CD1 4.25Å; W261-L291 HydrophobicContact CZ2-CD1 4.22Å
262F89.1Confident84.7Confident80 Ų8054 Ų5435%0.35131%0.309SS..THydrogen-bonded Turntrans-98.3-0.9173.7-66.5-71.3000113.7G260 P288 H289 Q292G260-F262 VanDerWaalsContact C-N 3.26Å; G260-F262 PolarHBondContact O-N 3.31Å; F262-P288 HydrophobicContact CD1-CB 4.1Å; F262-P288 HydrophobicContact CE1-CB 4.22Å; F262-P288 WeakPolarHBondContact CE1-O 3.4Å; F262-H289 PolarHBondContact O-CD2 3.19Å; F262-H289 PolarHBondContact O-NE2 2.95Å; F262-Q292 HydrophobicContact CD1-CB 4.15Å; F262-Q292 HydrophobicContact CE1-CB 4.2Å
263A90.6Very high85.1Confident10 Ų1052.4 Ų52.48%0.08330%0.3CS..BIsolated β-bridgetrans-135.275.8-178.700000108.7Q251 S253 E259 G260Q251-A263 HydrophobicContact CB-CB 4.42Å; Q251-A263 HydrophobicContact CG-CB 4.12Å; Q251-A263 WeakPolarHBondContact O-CA 3.39Å; S253-A263 VanDerWaalsContact OG-CB 3.29Å; S253-A263 WeakPolarHBondContact OG-CB 3.21Å; S253-A263 PolarHBondContact OG-O 3.35Å; E259-A263 WeakPolarHBondContact CA-O 3.42Å; G260-A263 PolarHBondContact N-O 2.98Å; G260-A263 CarbonylContact O-C 3.56Å; G260-A263 PolarHBondContact O-N 3.07Å
264P92.9Very high85.6Confident6 Ų653 Ų534%0.03930%0.304CS..  trans-71.2162.3-179.532.9-37.9000111I252 S253 V268 Y269 Y286I252-P264 WeakPolarHBondContact CG2-O 3.22Å; S253-P264 PolarHBondContact N-O 2.83Å; P264-V268 HydrophobicContact CB-CB 4.12Å; P264-V268 HydrophobicContact CB-CG1 3.91Å; P264-Y269 HydrophobicContact CG-CD2 4.44Å; P264-Y286 HydrophobicContact CB-CD1 4.32Å; P264-Y286 HydrophobicContact CB-CE1 3.83Å; P264-Y286 HydrophobicContact CB-CE2 4.36Å; P264-Y286 HydrophobicContact CG-CD1 3.62Å; P264-Y286 HydrophobicContact CG-CE1 3.57Å; P264-Y286 HydrophobicContact CG-CG 4.2Å
265S92.9Very high86.7Confident8 Ų849 Ų496%0.05628%0.276CS..  trans-63158165.290.70000111E259 E267 V268 Y269E259-S265 VanDerWaalsContact OE1-CB 3.28Å; E259-S265 WeakPolarHBondContact OE1-CB 3.42Å; S265-E267 VanDerWaalsContact C-N 3.26Å; S265-E267 VanDerWaalsContact CB-OE2 3.23Å; S265-E267 WeakPolarHBondContact CB-OE2 3.35Å; S265-E267 PolarHBondContact O-N 2.71Å; S265-E267 PolarHBondContact OG-N 2.85Å; S265-E267 PolarHBondContact OG-OE2 3.11Å; S265-V268 PolarHBondContact O-N 3.26Å; S265-V268 WeakPolarHBondContact OG-CG2 3.47Å; S265-V268 PolarHBondContact OG-N 3.39Å; S265-Y269 PolarHBondContact O-N 2.88Å
266P92.5Very high87.9Confident14 Ų1446.7 Ų46.79%0.09126%0.26CS..Hα-helixtrans-56.8-37.8176.7-25.536.4000113.1P79 A83 I252 S253 Y269 A270P79-P266 HydrophobicContact CB-CB 4.19Å; P79-P266 HydrophobicContact CB-CG 3.78Å; A83-P266 HydrophobicContact CB-CB 3.85Å; A83-P266 WeakPolarHBondContact CB-O 3.31Å; I252-P266 HydrophobicContact CG2-CB 4.36Å; I252-P266 HydrophobicContact CG2-CG 4.02Å; S253-P266 WeakPolarHBondContact O-CD 3.46Å; P266-Y269 PolarHBondContact O-N 2.96Å; P266-A270 VanDerWaalsContact O-CB 3.23Å; P266-A270 WeakPolarHBondContact O-CB 3.42Å; P266-A270 PolarHBondContact O-N 2.87Å
267E93.1Very high89.3Confident86 Ų8642.2 Ų42.240%0.40223%0.228SC..Hα-helixtrans-69.8-43.4-179.3-52.271.3-151.300111.1S265 A270 R271S265-E267 VanDerWaalsContact C-N 3.26Å; S265-E267 VanDerWaalsContact CB-OE2 3.23Å; S265-E267 WeakPolarHBondContact CB-OE2 3.35Å; S265-E267 PolarHBondContact O-N 2.71Å; S265-E267 PolarHBondContact OG-N 2.85Å; S265-E267 PolarHBondContact OG-OE2 3.11Å; E267-A270 PolarHBondContact O-N 2.94Å; E267-R271 WeakPolarHBondContact O-CB 3.22Å; E267-R271 PolarHBondContact O-N 3.4Å
268V93.9Very high90.9Very high48 Ų4837.7 Ų37.729%0.29120%0.199SC..Hα-helixtrans-62.3-47.2174.2173.20000109.5P264 S265 A270 H272 Y286P264-V268 HydrophobicContact CB-CB 4.12Å; P264-V268 HydrophobicContact CB-CG1 3.91Å; S265-V268 PolarHBondContact O-N 3.26Å; S265-V268 WeakPolarHBondContact OG-CG2 3.47Å; S265-V268 PolarHBondContact OG-N 3.39Å; V268-A270 PolarHBondContact O-N 3.31Å; V268-H272 PolarHBondContact O-CD2 3.39Å; V268-H272 PolarHBondContact O-N 2.97Å; V268-H272 VanDerWaalsContact O-N 3.15Å; V268-Y286 HydrophobicContact CG1-CE2 4.14Å
269Y95.1Very high92.1Very high0 Ų037.6 Ų37.60%019%0.194CC..Hα-helixtrans-58.2-51.1177.2179-91.8000111.7V80 P249 I252 P264 S265 P266 R271 H272 A273 T284 Y286V80-Y269 HydrophobicContact CG2-CD1 3.44Å; V80-Y269 VanDerWaalsContact CG2-CD1 3.44Å; V80-Y269 HydrophobicContact CG2-CE1 3.68Å; V80-Y269 HydrophobicContact CG2-CG 4.46Å; P249-Y269 HydrophobicContact CB-CE1 4.42Å; P249-Y269 HydrophobicContact CB-CE2 3.69Å; P249-Y269 WeakPolarHBondContact CB-OH 3.36Å; I252-Y269 HydrophobicContact CD1-CD1 3.78Å; I252-Y269 HydrophobicContact CD1-CD2 3.95Å; I252-Y269 HydrophobicContact CD1-CE1 4.14Å; I252-Y269 HydrophobicContact CD1-CE2 4.32Å; I252-Y269 HydrophobicContact CD1-CG 3.68Å; I252-Y269 HydrophobicContact CG1-CD2 4.26Å; I252-Y269 HydrophobicContact CG1-CG 4.26Å; P264-Y269 HydrophobicContact CG-CD2 4.44Å; S265-Y269 PolarHBondContact O-N 2.88Å; P266-Y269 PolarHBondContact O-N 2.96Å; Y269-R271 PolarHBondContact O-N 3.2Å; Y269-H272 CarbonylContact O-C 3.48Å; Y269-H272 WeakPolarHBondContact O-CB 3.4Å; Y269-H272 PolarHBondContact O-N 2.87Å; Y269-H272 VanDerWaalsContact O-N 3.12Å; Y269-A273 HydrophobicContact CD1-CB 4.28Å; Y269-A273 HydrophobicContact CE1-CB 3.84Å; Y269-A273 WeakPolarHBondContact O-CB 3.45Å; Y269-A273 PolarHBondContact O-N 3.46Å; Y269-T284 VanDerWaalsContact CE2-O 3.23Å; Y269-T284 WeakPolarHBondContact CE2-O 3.36Å; Y269-T284 PolarHBondContact OH-O 2.95Å; Y269-Y286 HydrophobicContact CD2-CG 4.47Å
270A95Very high92.7Very high0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-58.1-46.4-177.500000112.1A83 E87 P266 E267 V268 H272 A273 V274A83-A270 VanDerWaalsContact C-CB 3.44Å; A83-A270 HydrophobicContact CB-CB 3.72Å; A83-A270 WeakPolarHBondContact O-CB 3.42Å; E87-A270 HydrophobicContact CG-CB 3.86Å; P266-A270 VanDerWaalsContact O-CB 3.23Å; P266-A270 WeakPolarHBondContact O-CB 3.42Å; P266-A270 PolarHBondContact O-N 2.87Å; E267-A270 PolarHBondContact O-N 2.94Å; V268-A270 PolarHBondContact O-N 3.31Å; A270-H272 VanDerWaalsContact C-N 3.29Å; A270-H272 PolarHBondContact O-N 3.49Å; A270-A273 PolarHBondContact O-N 2.93Å; A270-A273 VanDerWaalsContact O-N 3.11Å; A270-V274 WeakPolarHBondContact O-CG2 3.32Å; A270-V274 PolarHBondContact O-N 3.26Å
271R94.2Very high93.2Very high116 Ų11634.6 Ų34.644%0.43818%0.176SC..Hα-helixtrans-58.3-42.2176.1-170.9177.8-59131.39.2112.2E87 E267 Y269 S275E87-R271 IonicContact OE1-NE 3.65Å; E87-R271 IonicContact OE1-NH2 3.65Å; E267-R271 WeakPolarHBondContact O-CB 3.22Å; E267-R271 PolarHBondContact O-N 3.4Å; Y269-R271 PolarHBondContact O-N 3.2Å; R271-S275 PolarHBondContact O-N 2.95Å
272H94.4Very high93.6Very high29 Ų2932.2 Ų32.213%0.13417%0.166CC..Hα-helixtrans-67.4-44174.7-81.7-102000111.7R56 V268 Y269 A270 S275 G285 Y286 W287R56-H272 VanDerWaalsContact CZ-CE1 3.43Å; R56-H272 PolarHBondContact NH1-CE1 2.91Å; R56-H272 VanDerWaalsContact NH1-CE1 3.31Å; R56-H272 VanDerWaalsContact NH1-CG 3.34Å; R56-H272 PolarHBondContact NH1-ND1 3.43Å; R56-H272 PolarHBondContact NH2-CD2 2.79Å; R56-H272 PolarHBondContact NH2-CE1 2.75Å; R56-H272 VanDerWaalsContact NH2-CE1 3.27Å; R56-H272 VanDerWaalsContact NH2-CG 3.29Å; R56-H272 PolarHBondContact NH2-ND1 3.31Å; R56-H272 PolarHBondContact NH2-NE2 3.43Å; V268-H272 PolarHBondContact O-CD2 3.39Å; V268-H272 PolarHBondContact O-N 2.97Å; V268-H272 VanDerWaalsContact O-N 3.15Å; Y269-H272 CarbonylContact O-C 3.48Å; Y269-H272 WeakPolarHBondContact O-CB 3.4Å; Y269-H272 PolarHBondContact O-N 2.87Å; Y269-H272 VanDerWaalsContact O-N 3.12Å; A270-H272 VanDerWaalsContact C-N 3.29Å; A270-H272 PolarHBondContact O-N 3.49Å; H272-S275 PolarHBondContact O-N 3.44Å; H272-S275 PolarHBondContact O-OG 3.5Å; H272-G285 CarbonylContact C-O 3.52Å; H272-G285 VanDerWaalsContact CB-O 3.27Å; H272-G285 WeakPolarHBondContact CB-O 3.47Å; H272-Y286 HydrophobicContact CB-CD2 3.93Å; H272-Y286 AromaticContact CD2-CD2 3.93Å; H272-Y286 AromaticContact CD2-CE2 3.94Å; H272-Y286 AromaticContact CG-CD2 3.62Å; H272-Y286 AromaticContact ND1-CD2 3.77Å; H272-Y286 AromaticContact NE2-CE2 3.97Å; H272-W287 AromaticContact CE1-CD1 3.79Å; H272-W287 AromaticContact ND1-CD1 3.99Å
273A95.6Very high93.8Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-64-48.4-177.400000112.2Y84 L247 Y269 A270 S275 T276 G285Y84-A273 HydrophobicContact CD2-CB 4.21Å; Y84-A273 HydrophobicContact CE2-CB 3.91Å; L247-A273 HydrophobicContact CD1-CB 3.95Å; L247-A273 HydrophobicContact CD2-CB 4.48Å; Y269-A273 HydrophobicContact CD1-CB 4.28Å; Y269-A273 HydrophobicContact CE1-CB 3.84Å; Y269-A273 WeakPolarHBondContact O-CB 3.45Å; Y269-A273 PolarHBondContact O-N 3.46Å; A270-A273 PolarHBondContact O-N 2.93Å; A270-A273 VanDerWaalsContact O-N 3.11Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 3.39Å; A273-T276 WeakPolarHBondContact O-CB 3.38Å; A273-T276 PolarHBondContact O-N 3.47Å; A273-T276 PolarHBondContact O-OG1 2.89Å; A273-G285 PolarHBondContact N-O 3.49Å
274V95.1Very high94Very high18 Ų1828.8 Ų28.811%0.10915%0.151CC..Hα-helixtrans-59.2-37.2177.6172.60000111.5L63 Y84 E87 A270 T276 L277L63-V274 HydrophobicContact CD1-CG1 4.11Å; Y84-V274 HydrophobicContact CD1-CG2 4.27Å; Y84-V274 HydrophobicContact CD2-CG2 3.87Å; Y84-V274 HydrophobicContact CE1-CG2 3.93Å; Y84-V274 HydrophobicContact CE2-CG2 3.49Å; Y84-V274 VanDerWaalsContact CE2-CG2 3.49Å; Y84-V274 HydrophobicContact CG-CG2 4.24Å; E87-V274 HydrophobicContact CB-CB 4.42Å; E87-V274 HydrophobicContact CB-CG2 3.75Å; E87-V274 HydrophobicContact CG-CG2 4.43Å; A270-V274 WeakPolarHBondContact O-CG2 3.32Å; A270-V274 PolarHBondContact O-N 3.26Å; V274-T276 PolarHBondContact O-N 3.23Å; V274-T276 VanDerWaalsContact O-N 3.13Å; V274-L277 WeakPolarHBondContact O-CB 3.43Å; V274-L277 PolarHBondContact O-N 3.26Å
275S93.6Very high94Very high28 Ų2828.5 Ų28.520%0.19615%0.149CC..Hα-helixtrans-63-20.4176.775.70000113.9P55 R56 R271 H272 A273P55-S275 WeakPolarHBondContact CB-O 3.43Å; R56-S275 PolarHBondContact NH1-OG 3.36Å; R271-S275 PolarHBondContact O-N 2.95Å; H272-S275 PolarHBondContact O-N 3.44Å; H272-S275 PolarHBondContact O-OG 3.5Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 3.39Å
276T94.6Very high94.1Very high0 Ų029.1 Ų29.10%015%0.15CC..THydrogen-bonded Turntrans-87.3-9.5175.973.20000113.5V51 Q245 A273 V274 G278 V279 S280 T283V51-T276 HydrophobicContact CG1-CG2 3.96Å; Q245-T276 PolarHBondContact NE2-O 3.3Å; Q245-T276 PolarHBondContact NE2-OG1 3.48Å; A273-T276 WeakPolarHBondContact O-CB 3.38Å; A273-T276 PolarHBondContact O-N 3.47Å; A273-T276 PolarHBondContact O-OG1 2.89Å; V274-T276 PolarHBondContact O-N 3.23Å; V274-T276 VanDerWaalsContact O-N 3.13Å; T276-G278 PolarHBondContact O-N 3.1Å; T276-V279 WeakPolarHBondContact O-CB 3.27Å; T276-V279 PolarHBondContact O-N 3.34Å; T276-S280 PolarHBondContact O-N 3.32Å; T276-T283 HydrophobicContact CG2-CG2 4.38Å; T276-T283 WeakPolarHBondContact OG1-CG2 3.34Å
277L94.2Very high94.1Very high8 Ų831.8 Ų31.84%0.04216%0.159CC..THydrogen-bonded Turntrans-64.9129.4-177.4-170.566.5000110.3Y67 F148 A200 V202 F243 V274 V279Y67-L277 HydrophobicContact CE2-CD2 4.16Å; Y67-L277 HydrophobicContact CE2-CG 4.31Å; F148-L277 HydrophobicContact CD1-CD2 4.17Å; F148-L277 HydrophobicContact CE1-CD2 3.77Å; A200-L277 HydrophobicContact CB-CD1 4.4Å; V202-L277 HydrophobicContact CG2-CD1 3.56Å; F243-L277 HydrophobicContact CD1-CD1 3.95Å; F243-L277 HydrophobicContact CE1-CD1 3.97Å; V274-L277 WeakPolarHBondContact O-CB 3.43Å; V274-L277 PolarHBondContact O-N 3.26Å; L277-V279 VanDerWaalsContact C-N 3.26Å; L277-V279 PolarHBondContact O-N 3.01Å
278G91.5Very high94.1Very high17 Ų1727.7 Ų27.718%0.17514%0.139CC..THydrogen-bonded Turntrans77.55.1-174.600000115.1R66 Y67 F243 T276R66-G278 PolarHBondContact NH2-O 2.84Å; Y67-G278 VanDerWaalsContact OH-CA 3.23Å; Y67-G278 WeakPolarHBondContact OH-CA 3.5Å; F243-G278 VanDerWaalsContact CZ-N 3.27Å; T276-G278 PolarHBondContact O-N 3.1Å
279V92.6Very high94.1Very high42 Ų4225.4 Ų25.426%0.25513%0.126SC..THydrogen-bonded Turntrans-115-43.7-179.6-177.50000111.9R50 P55 T276 L277R50-V279 PolarHBondContact NH2-O 3.02Å; P55-V279 HydrophobicContact CB-CG2 4.13Å; P55-V279 HydrophobicContact CG-CB 4.34Å; P55-V279 HydrophobicContact CG-CG1 4.01Å; P55-V279 HydrophobicContact CG-CG2 3.73Å; T276-V279 WeakPolarHBondContact O-CB 3.27Å; T276-V279 PolarHBondContact O-N 3.34Å; L277-V279 VanDerWaalsContact C-N 3.26Å; L277-V279 PolarHBondContact O-N 3.01Å
280S93.9Very high93.9Very high22 Ų2226.9 Ų26.915%0.15414%0.135CC..  trans-132.5131.3176.1-170.20000111.4F243 Q245 T276 R282F243-S280 WeakPolarHBondContact CZ-O 3.5Å; Q245-S280 WeakPolarHBondContact CG-O 3.15Å; Q245-S280 PolarHBondContact NE2-O 2.92Å; T276-S280 PolarHBondContact O-N 3.32Å; S280-R282 VanDerWaalsContact C-N 3.31Å; S280-R282 PolarHBondContact OG-N 2.87Å; S280-R282 PolarHBondContact OG-O 2.86Å
281T95.1Very high93.6Very high57 Ų5730.3 Ų30.335%0.3515%0.153SC..SBendtrans-79.7-14.9177.256.10000112.6Q234 F243 I244 Q245 S246Q234-T281 HydrophobicContact CG-CG2 3.75Å; F243-T281 HydrophobicContact CD2-CG2 4.49Å; F243-T281 HydrophobicContact CE2-CG2 3.79Å; F243-T281 HydrophobicContact CZ-CG2 4.09Å; I244-T281 WeakPolarHBondContact O-CB 3.47Å; Q245-T281 CarbonylContact C-O 3.6Å; Q245-T281 WeakPolarHBondContact CA-O 3.36Å; S246-T281 PolarHBondContact N-O 2.71Å
282R94.9Very high93.4Very high88 Ų8827.4 Ų27.433%0.33214%0.144SC..EExtended strand (participates in β ladder)trans-143.8117.2175.6-168.8-177.3-171.8-139.92.7109.5D227 S246 I248 S280 Y293D227-R282 IonicContact OD1-CZ 2.73Å; D227-R282 IonicContact OD1-NE 2.84Å; D227-R282 PolarHBondContact OD1-NE 2.73Å; D227-R282 IonicContact OD1-NH2 3.36Å; D227-R282 IonicContact OD2-CZ 3.77Å; D227-R282 IonicContact OD2-NE 2.64Å; D227-R282 PolarHBondContact OD2-NE 2.84Å; D227-R282 IonicContact OD2-NH2 3.75Å; D227-R282 PolarHBondContact OD2-NH2 2.92Å; S246-R282 WeakPolarHBondContact O-CA 3.42Å; I248-R282 HydrophobicContact CD1-CG 3.95Å; S280-R282 VanDerWaalsContact C-N 3.31Å; S280-R282 PolarHBondContact OG-N 2.87Å; S280-R282 PolarHBondContact OG-O 2.86Å; R282-Y293 PolarHBondContact NH1-OH 2.87Å
283T94.8Very high93.1Very high13 Ų1327.8 Ų27.88%0.0815%0.145CC..EExtended strand (participates in β ladder)trans-156.4160.3-176.6-178.90000110.3Q245 S246 L247 I248 T276 G285Q245-T283 HydrophobicContact CG-CG2 4.49Å; S246-T283 PolarHBondContact O-N 3.46Å; L247-T283 CarbonylContact C-O 3.5Å; L247-T283 VanDerWaalsContact CA-O 3.3Å; L247-T283 WeakPolarHBondContact CA-O 3.4Å; L247-T283 HydrophobicContact CD2-CG2 3.54Å; I248-T283 PolarHBondContact N-O 3.42Å; T276-T283 HydrophobicContact CG2-CG2 4.38Å; T276-T283 WeakPolarHBondContact OG1-CG2 3.34Å; T283-G285 PolarHBondContact OG1-N 2.8Å
284T93.6Very high92.7Very high5 Ų529.3 Ų29.33%0.03116%0.161CC..  trans-75.5-15.5171.359.40000112I248 F250 Y269 Y286 H289 T290 Y293I248-T284 WeakPolarHBondContact O-CA 3.36Å; I248-T284 WeakPolarHBondContact O-CB 3.48Å; F250-T284 HydrophobicContact CE2-CG2 4.14Å; Y269-T284 VanDerWaalsContact CE2-O 3.23Å; Y269-T284 WeakPolarHBondContact CE2-O 3.36Å; Y269-T284 PolarHBondContact OH-O 2.95Å; T284-Y286 PolarHBondContact O-N 2.64Å; T284-Y286 PolarHBondContact OG1-N 2.71Å; T284-Y286 PolarHBondContact OG1-O 3.44Å; T284-H289 HydrophobicContact CG2-CB 4.14Å; T284-T290 PolarHBondContact OG1-N 3.48Å; T284-T290 PolarHBondContact OG1-OG1 2.79Å; T284-Y293 HydrophobicContact CG2-CG 4.42Å
285G93.1Very high92.3Very high0 Ų034 Ų340%019%0.185CC..SBendtrans81.8-23.3-174.300000113.4H272 A273 T283H272-G285 CarbonylContact C-O 3.52Å; H272-G285 VanDerWaalsContact CB-O 3.27Å; H272-G285 WeakPolarHBondContact CB-O 3.47Å; A273-G285 PolarHBondContact N-O 3.49Å; T283-G285 PolarHBondContact OG1-N 2.8Å
286Y94.8Very high91.8Very high20 Ų2033.7 Ų33.78%0.07818%0.18CC..SBendtrans-131.2128.7-176-175.1-128000111.3W261 P264 V268 Y269 H272 T284 P288 H289 T290W261-Y286 WeakPolarHBondContact O-CE1 3.49Å; P264-Y286 HydrophobicContact CB-CD1 4.32Å; P264-Y286 HydrophobicContact CB-CE1 3.83Å; P264-Y286 HydrophobicContact CB-CE2 4.36Å; P264-Y286 HydrophobicContact CG-CD1 3.62Å; P264-Y286 HydrophobicContact CG-CE1 3.57Å; P264-Y286 HydrophobicContact CG-CG 4.2Å; V268-Y286 HydrophobicContact CG1-CE2 4.14Å; Y269-Y286 HydrophobicContact CD2-CG 4.47Å; H272-Y286 HydrophobicContact CB-CD2 3.93Å; H272-Y286 AromaticContact CD2-CD2 3.93Å; H272-Y286 AromaticContact CD2-CE2 3.94Å; H272-Y286 AromaticContact CG-CD2 3.62Å; H272-Y286 AromaticContact ND1-CD2 3.77Å; H272-Y286 AromaticContact NE2-CE2 3.97Å; T284-Y286 PolarHBondContact O-N 2.64Å; T284-Y286 PolarHBondContact OG1-N 2.71Å; T284-Y286 PolarHBondContact OG1-O 3.44Å; Y286-P288 HydrophobicContact CD1-CB 4.26Å; Y286-P288 VanDerWaalsContact CD1-CD 3.44Å; Y286-P288 HydrophobicContact CD1-CG 4.02Å; Y286-P288 HydrophobicContact CE1-CB 3.84Å; Y286-P288 HydrophobicContact CE1-CG 3.42Å; Y286-P288 VanDerWaalsContact CE1-CG 3.42Å; Y286-P288 HydrophobicContact CE2-CG 4.13Å; Y286-P288 VanDerWaalsContact CZ-CD 3.47Å; Y286-P288 VanDerWaalsContact CZ-CG 3.48Å; Y286-H289 HydrophobicContact CD1-CB 4.42Å; Y286-H289 AromaticContact CD1-CD2 3.7Å; Y286-H289 AromaticContact CD1-CG 3.82Å; Y286-H289 AromaticContact CD1-NE2 3.87Å; Y286-H289 WeakPolarHBondContact O-CA 3.31Å; Y286-H289 VanDerWaalsContact O-CB 3.27Å; Y286-H289 WeakPolarHBondContact O-CB 3.07Å; Y286-H289 PolarHBondContact O-N 3.01Å; Y286-H289 VanDerWaalsContact O-N 3.1Å; Y286-T290 PolarHBondContact O-N 3.34Å; Y286-T290 VanDerWaalsContact O-N 3.12Å; Y286-T290 PolarHBondContact O-OG1 2.9Å
287W92.8Very high91.2Very high70 Ų7039.6 Ų39.627%0.26521%0.206SC..Hα-helixtrans-65.2-36.1-168.477.1-91.5000114.9H52 F53 W261 H272 H289 T290 L291H52-W287 HydrophobicContact CB-CB 3.81Å; F53-W287 HydrophobicContact CZ-CD2 4.29Å; F53-W287 HydrophobicContact CZ-CG 4.35Å; W261-W287 AromaticContact CE2-CH2 3.93Å; W261-W287 AromaticContact CZ2-CH2 3.53Å; W261-W287 HydrophobicContact CZ2-CH2 3.53Å; W261-W287 HydrophobicContact CZ2-CZ2 4.31Å; W261-W287 AromaticContact CZ2-CZ3 3.94Å; W261-W287 HydrophobicContact CZ2-CZ3 3.94Å; W261-W287 AromaticContact NE1-CH2 3.69Å; W261-W287 AromaticContact NE1-CZ2 3.56Å; H272-W287 AromaticContact CE1-CD1 3.79Å; H272-W287 AromaticContact ND1-CD1 3.99Å; W287-H289 VanDerWaalsContact C-N 3.29Å; W287-H289 PolarHBondContact O-N 3.44Å; W287-T290 WeakPolarHBondContact O-CA 3.29Å; W287-T290 VanDerWaalsContact O-CB 3.27Å; W287-T290 WeakPolarHBondContact O-CB 3.45Å; W287-T290 PolarHBondContact O-N 3.24Å; W287-L291 HydrophobicContact CE3-CD1 4.02Å; W287-L291 HydrophobicContact CE3-CG 4.43Å; W287-L291 HydrophobicContact CZ3-CD1 3.6Å; W287-L291 HydrophobicContact CZ3-CG 4.47Å; W287-L291 PolarHBondContact O-N 3.31Å
288P93.4Very high90.7Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-65.6-33.7172.9-22.138000112W261 F262 Y286 T290 L291 Q292W261-P288 WeakPolarHBondContact O-CB 3.43Å; F262-P288 HydrophobicContact CD1-CB 4.1Å; F262-P288 HydrophobicContact CE1-CB 4.22Å; F262-P288 WeakPolarHBondContact CE1-O 3.4Å; Y286-P288 HydrophobicContact CD1-CB 4.26Å; Y286-P288 VanDerWaalsContact CD1-CD 3.44Å; Y286-P288 HydrophobicContact CD1-CG 4.02Å; Y286-P288 HydrophobicContact CE1-CB 3.84Å; Y286-P288 HydrophobicContact CE1-CG 3.42Å; Y286-P288 VanDerWaalsContact CE1-CG 3.42Å; Y286-P288 HydrophobicContact CE2-CG 4.13Å; Y286-P288 VanDerWaalsContact CZ-CD 3.47Å; Y286-P288 VanDerWaalsContact CZ-CG 3.48Å; P288-T290 PolarHBondContact O-N 2.99Å; P288-L291 WeakPolarHBondContact O-CB 3.33Å; P288-L291 PolarHBondContact O-N 3.28Å; P288-Q292 PolarHBondContact O-N 3.29Å
289H93.1Very high90.4Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-63.3-32.6171-73.5-178.9000111.7F250 Q251 F262 T284 Y286 W287 Q292 Y293F250-H289 HydrophobicContact CD2-CB 3.75Å; F250-H289 AromaticContact CD2-CG 3.92Å; F250-H289 PolarHBondContact N-CE1 3.39Å; F250-H289 VanDerWaalsContact N-CE1 3.31Å; F250-H289 PolarHBondContact N-ND1 3.31Å; Q251-H289 PolarHBondContact O-CE1 3Å; Q251-H289 VanDerWaalsContact O-CE1 3.26Å; Q251-H289 PolarHBondContact O-NE2 3.43Å; Q251-H289 VanDerWaalsContact O-NE2 3.11Å; F262-H289 PolarHBondContact O-CD2 3.19Å; F262-H289 PolarHBondContact O-NE2 2.95Å; T284-H289 HydrophobicContact CG2-CB 4.14Å; Y286-H289 HydrophobicContact CD1-CB 4.42Å; Y286-H289 AromaticContact CD1-CD2 3.7Å; Y286-H289 AromaticContact CD1-CG 3.82Å; Y286-H289 AromaticContact CD1-NE2 3.87Å; Y286-H289 WeakPolarHBondContact O-CA 3.31Å; Y286-H289 VanDerWaalsContact O-CB 3.27Å; Y286-H289 WeakPolarHBondContact O-CB 3.07Å; Y286-H289 PolarHBondContact O-N 3.01Å; Y286-H289 VanDerWaalsContact O-N 3.1Å; W287-H289 VanDerWaalsContact C-N 3.29Å; W287-H289 PolarHBondContact O-N 3.44Å; H289-Q292 PolarHBondContact O-N 2.71Å; H289-Y293 VanDerWaalsContact O-CB 3.31Å; H289-Y293 WeakPolarHBondContact O-CB 3.49Å; H289-Y293 PolarHBondContact O-N 2.92Å
290T91.2Very high90Very high31 Ų3147.3 Ų47.319%0.1925%0.251CS..Hα-helixtrans-65.3-39.2173.6-54.90000112V48 H52 T284 Y286 W287 P288 Y293 G294V48-T290 HydrophobicContact CG2-CG2 3.79Å; H52-T290 PolarHBondContact NE2-OG1 3.4Å; T284-T290 PolarHBondContact OG1-N 3.48Å; T284-T290 PolarHBondContact OG1-OG1 2.79Å; Y286-T290 PolarHBondContact O-N 3.34Å; Y286-T290 VanDerWaalsContact O-N 3.12Å; Y286-T290 PolarHBondContact O-OG1 2.9Å; W287-T290 WeakPolarHBondContact O-CA 3.29Å; W287-T290 VanDerWaalsContact O-CB 3.27Å; W287-T290 WeakPolarHBondContact O-CB 3.45Å; W287-T290 PolarHBondContact O-N 3.24Å; P288-T290 PolarHBondContact O-N 2.99Å; T290-Y293 PolarHBondContact O-N 3.49Å; T290-G294 PolarHBondContact O-N 3.46Å
291L89.8Confident89.5Confident72 Ų7252.1 Ų52.138%0.37727%0.271SS..Hα-helixtrans-63.1-46.8172.2-65.1179000111.2W261 W287 P288 Y293 G294 L295W261-L291 HydrophobicContact CH2-CD1 4.25Å; W261-L291 HydrophobicContact CZ2-CD1 4.22Å; W287-L291 HydrophobicContact CE3-CD1 4.02Å; W287-L291 HydrophobicContact CE3-CG 4.43Å; W287-L291 HydrophobicContact CZ3-CD1 3.6Å; W287-L291 HydrophobicContact CZ3-CG 4.47Å; W287-L291 PolarHBondContact O-N 3.31Å; P288-L291 WeakPolarHBondContact O-CB 3.33Å; P288-L291 PolarHBondContact O-N 3.28Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 3.23Å; L291-G294 PolarHBondContact O-N 3.23Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 3.18Å
292Q89.6Confident88.9Confident56 Ų5657.6 Ų57.626%0.26229%0.286SS..Hα-helixtrans-58.7-44176.8-173.817712.100111.8F250 F262 P288 H289 G294 L295 M296F250-Q292 HydrophobicContact CD1-CG 4.3Å; F250-Q292 HydrophobicContact CE1-CG 4.39Å; F250-Q292 HydrophobicContact CG-CG 4.48Å; F262-Q292 HydrophobicContact CD1-CB 4.15Å; F262-Q292 HydrophobicContact CE1-CB 4.2Å; P288-Q292 PolarHBondContact O-N 3.29Å; H289-Q292 PolarHBondContact O-N 2.71Å; Q292-G294 PolarHBondContact O-N 3.15Å; Q292-L295 PolarHBondContact O-N 3.39Å; Q292-M296 WeakPolarHBondContact O-CB 3.3Å; Q292-M296 WeakPolarHBondContact O-CG 3.34Å; Q292-M296 PolarHBondContact O-N 3.13Å
293Y89.1Confident88.5Confident36 Ų3657 Ų5714%0.14129%0.288CS..Hα-helixtrans-60.5-43.9175.6-178-111.4000112.2C210 F250 R282 T284 H289 T290 L291 M296 K297C210-Y293 HydrophobicContact CB-CE2 4.26Å; C210-Y293 WeakPolarHBondContact SG-CD2 3.44Å; C210-Y293 WeakPolarHBondContact SG-CE2 3.22Å; F250-Y293 HydrophobicContact CE2-CD2 4.28Å; F250-Y293 HydrophobicContact CZ-CD2 4.06Å; R282-Y293 PolarHBondContact NH1-OH 2.87Å; T284-Y293 HydrophobicContact CG2-CG 4.42Å; H289-Y293 VanDerWaalsContact O-CB 3.31Å; H289-Y293 WeakPolarHBondContact O-CB 3.49Å; H289-Y293 PolarHBondContact O-N 2.92Å; T290-Y293 PolarHBondContact O-N 3.49Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 3.23Å; Y293-M296 PolarHBondContact O-N 2.88Å; Y293-K297 HydrophobicContact CD1-CD 4.43Å; Y293-K297 HydrophobicContact CE1-CD 4.01Å; Y293-K297 VanDerWaalsContact CZ-NZ 3.3Å; Y293-K297 PolarHBondContact O-N 2.9Å; Y293-K297 WeakPolarHBondContact OH-CE 3.36Å; Y293-K297 PolarHBondContact OH-NZ 2.82Å
294G86.9Confident87.9Confident33 Ų3358.7 Ų58.734%0.3429%0.293SS..Hα-helixtrans-61.5-49.5176.100000112.4T290 L291 Q292 M296 K297 C298T290-G294 PolarHBondContact O-N 3.46Å; L291-G294 PolarHBondContact O-N 3.23Å; Q292-G294 PolarHBondContact O-N 3.15Å; G294-M296 VanDerWaalsContact C-N 3.31Å; G294-M296 PolarHBondContact O-N 3.37Å; G294-K297 WeakPolarHBondContact O-CB 3.09Å; G294-K297 PolarHBondContact O-N 3.33Å; G294-K297 VanDerWaalsContact O-N 3.15Å; G294-C298 PolarHBondContact O-N 3.28Å; G294-C298 PolarHBondContact O-SG 3.07Å; G294-C298 VanDerWaalsContact O-SG 3.42Å
295L85.2Confident87.3Confident117 Ų11761.3 Ų61.361%0.61331%0.307SS*.Hα-helixtrans-58.9-43.9176.2-71.5172.7000111.7L291 Q292 K297 C298L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 3.18Å; Q292-L295 PolarHBondContact O-N 3.39Å; L295-K297 VanDerWaalsContact C-N 3.35Å; L295-K297 PolarHBondContact O-N 3.17Å; L295-C298 WeakPolarHBondContact O-CB 3.31Å; L295-C298 PolarHBondContact O-N 2.9Å
296M83.4Confident86.7Confident21 Ų2165 Ų6510%0.10333%0.329CS..Hα-helixtrans-57.2-50175.5-80.4-175.261.400110.2C210 R211 F250 Q292 Y293 G294 C298 I299 W304C210-M296 HydrophobicContact CB-CE 4.26Å; R211-M296 VanDerWaalsContact NH1-C 3.34Å; R211-M296 PolarHBondContact NH1-O 3Å; R211-M296 PolarHBondContact NH2-O 3.05Å; F250-M296 HydrophobicContact CD1-SD 4.4Å; F250-M296 HydrophobicContact CE1-CE 4.38Å; F250-M296 HydrophobicContact CE1-SD 3.43Å; F250-M296 WeakPolarHBondContact CE1-SD 3.3Å; F250-M296 HydrophobicContact CZ-SD 3.99Å; Q292-M296 WeakPolarHBondContact O-CB 3.3Å; Q292-M296 WeakPolarHBondContact O-CG 3.34Å; Q292-M296 PolarHBondContact O-N 3.13Å; Y293-M296 PolarHBondContact O-N 2.88Å; G294-M296 VanDerWaalsContact C-N 3.31Å; G294-M296 PolarHBondContact O-N 3.37Å; M296-C298 PolarHBondContact O-N 3.5Å; M296-I299 WeakPolarHBondContact O-CB 3.27Å; M296-I299 PolarHBondContact O-N 3.46Å; M296-W304 HydrophobicContact CE-CH2 3.56Å; M296-W304 HydrophobicContact CE-CZ2 3.96Å; M296-W304 HydrophobicContact CE-CZ3 4.04Å; M296-W304 HydrophobicContact SD-CH2 4.33Å
297K82.7Confident86Confident124 Ų12465.7 Ų65.754%0.53934%0.342SS..Hα-helixtrans-55-28.6-179.9-78.8-175.6170.3175.70114.8Y293 G294 L295 I299Y293-K297 HydrophobicContact CD1-CD 4.43Å; Y293-K297 HydrophobicContact CE1-CD 4.01Å; Y293-K297 VanDerWaalsContact CZ-NZ 3.3Å; Y293-K297 PolarHBondContact O-N 2.9Å; Y293-K297 WeakPolarHBondContact OH-CE 3.36Å; Y293-K297 PolarHBondContact OH-NZ 2.82Å; G294-K297 WeakPolarHBondContact O-CB 3.09Å; G294-K297 PolarHBondContact O-N 3.33Å; G294-K297 VanDerWaalsContact O-N 3.15Å; L295-K297 VanDerWaalsContact C-N 3.35Å; L295-K297 PolarHBondContact O-N 3.17Å; K297-I299 VanDerWaalsContact C-N 3.3Å; K297-I299 PolarHBondContact O-N 3.21Å
298C83.9Confident85Confident107 Ų10762.9 Ų62.972%0.72333%0.333SS*.Hα-helixtrans-72-21.4178.1-62.90000113.9G294 L295 M296 P300G294-C298 PolarHBondContact O-N 3.28Å; G294-C298 PolarHBondContact O-SG 3.07Å; G294-C298 VanDerWaalsContact O-SG 3.42Å; L295-C298 WeakPolarHBondContact O-CB 3.31Å; L295-C298 PolarHBondContact O-N 2.9Å; M296-C298 PolarHBondContact O-N 3.5Å; C298-P300 WeakPolarHBondContact O-CD 3.3Å
299I84.2Confident84Confident61 Ų6170.3 Ų70.331%0.31336%0.361SS..SBendtrans-78.3120.3-178.4-57171.8000109.6R211 M296 K297 I303 W304R211-I299 PolarHBondContact NH2-O 3.48Å; M296-I299 WeakPolarHBondContact O-CB 3.27Å; M296-I299 PolarHBondContact O-N 3.46Å; K297-I299 VanDerWaalsContact C-N 3.3Å; K297-I299 PolarHBondContact O-N 3.21Å; I299-I303 HydrophobicContact CG2-CB 3.99Å; I299-I303 HydrophobicContact CG2-CG2 4Å; I299-W304 HydrophobicContact CD1-CE3 4.45Å; I299-W304 HydrophobicContact CG2-CB 4.4Å
300P85.7Confident83Confident60 Ų6074.5 Ų74.539%0.3939%0.386SS..  trans-55.9144.5172-23.432.5000112.2C298 W302 I303 W304C298-P300 WeakPolarHBondContact O-CD 3.3Å; P300-W302 VanDerWaalsContact C-N 3.31Å; P300-W302 HydrophobicContact CB-CG 4.47Å; P300-W302 PolarHBondContact O-N 3.38Å; P300-I303 HydrophobicContact CB-CD1 4.39Å; P300-I303 HydrophobicContact CB-CG1 4.19Å; P300-I303 HydrophobicContact CG-CD1 3.95Å; P300-I303 HydrophobicContact CG-CG1 4.3Å; P300-I303 PolarHBondContact O-N 3.49Å; P300-I303 VanDerWaalsContact O-N 3.13Å; P300-W304 PolarHBondContact O-N 3.38Å
301E82.5Confident81.7Confident123 Ų12379.1 Ų79.158%0.57541%0.409SS*.Hα-helixtrans-59.9-38.7-175.2-173.2172.9-168.600113.1I303 W304 I305E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.25Å; E301-W304 WeakPolarHBondContact O-CB 3.28Å; E301-W304 PolarHBondContact O-N 2.91Å; E301-W304 VanDerWaalsContact O-N 3.15Å; E301-I305 HydrophobicContact CG-CD1 3.91Å; E301-I305 HydrophobicContact CG-CG1 4.38Å; E301-I305 WeakPolarHBondContact O-CG1 3.43Å; E301-I305 PolarHBondContact O-N 2.84Å
302W83.4Confident80.2Confident173 Ų17379.5 Ų79.566%0.65541%0.408SS*.Hα-helixtrans-62.8-38.117868.5-94.1000112.5P300 W304 I305 V306P300-W302 VanDerWaalsContact C-N 3.31Å; P300-W302 HydrophobicContact CB-CG 4.47Å; P300-W302 PolarHBondContact O-N 3.38Å; W302-W304 VanDerWaalsContact C-N 3.32Å; W302-I305 PolarHBondContact O-N 3Å; W302-V306 VanDerWaalsContact O-CG2 3.31Å; W302-V306 WeakPolarHBondContact O-CG2 3.43Å; W302-V306 PolarHBondContact O-N 3.07Å
303I85.5Confident78.6Confident74 Ų7481.3 Ų81.338%0.37943%0.427SS..Hα-helixtrans-63.9-43.6175.5-60.3-170.3000109.5I299 P300 E301 V306 G307I299-I303 HydrophobicContact CG2-CB 3.99Å; I299-I303 HydrophobicContact CG2-CG2 4Å; P300-I303 HydrophobicContact CB-CD1 4.39Å; P300-I303 HydrophobicContact CB-CG1 4.19Å; P300-I303 HydrophobicContact CG-CD1 3.95Å; P300-I303 HydrophobicContact CG-CG1 4.3Å; P300-I303 PolarHBondContact O-N 3.49Å; P300-I303 VanDerWaalsContact O-N 3.13Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.25Å; I303-V306 PolarHBondContact O-N 3.38Å; I303-G307 PolarHBondContact O-N 3.21Å
304W82.2Confident76.5Confident49 Ų4984.9 Ų84.919%0.18645%0.452CS..Hα-helixtrans-61.2-45.2177.4-177.2-95000112.2R211 P212 M296 I299 P300 E301 W302 S308R211-W304 HydrophobicContact CB-CD2 4.37Å; R211-W304 HydrophobicContact CB-CG 4.42Å; R211-W304 HydrophobicContact CB-CZ2 4.22Å; R211-W304 VanDerWaalsContact CD-CG 3.41Å; P212-W304 PolarHBondContact O-NE1 3.11Å; M296-W304 HydrophobicContact CE-CH2 3.56Å; M296-W304 HydrophobicContact CE-CZ2 3.96Å; M296-W304 HydrophobicContact CE-CZ3 4.04Å; M296-W304 HydrophobicContact SD-CH2 4.33Å; I299-W304 HydrophobicContact CD1-CE3 4.45Å; I299-W304 HydrophobicContact CG2-CB 4.4Å; P300-W304 PolarHBondContact O-N 3.38Å; E301-W304 WeakPolarHBondContact O-CB 3.28Å; E301-W304 PolarHBondContact O-N 2.91Å; E301-W304 VanDerWaalsContact O-N 3.15Å; W302-W304 VanDerWaalsContact C-N 3.32Å; W304-S308 VanDerWaalsContact O-CB 3.31Å; W304-S308 WeakPolarHBondContact O-CB 3.5Å; W304-S308 PolarHBondContact O-N 3.47Å; W304-S308 PolarHBondContact O-OG 2.97Å
305I80.1Confident74.4Confident60 Ų6090.6 Ų90.631%0.30849%0.487SS..Hα-helixtrans-62.8-49.5178.8-68.3167.2000110.3E301 W302 S308 R309E301-I305 HydrophobicContact CG-CD1 3.91Å; E301-I305 HydrophobicContact CG-CG1 4.38Å; E301-I305 WeakPolarHBondContact O-CG1 3.43Å; E301-I305 PolarHBondContact O-N 2.84Å; W302-I305 PolarHBondContact O-N 3Å; I305-S308 PolarHBondContact O-N 3.12Å; I305-S308 PolarHBondContact O-OG 3.34Å; I305-R309 WeakPolarHBondContact O-CG 3.46Å; I305-R309 PolarHBondContact O-N 3.28Å
306V81.7Confident73.8Confident79 Ų7989.3 Ų89.348%0.47948%0.481SS..Hα-helixtrans-60.5-49.5179.2173.30000110.9W302 I303 S308 R309 V310W302-V306 VanDerWaalsContact O-CG2 3.31Å; W302-V306 WeakPolarHBondContact O-CG2 3.43Å; W302-V306 PolarHBondContact O-N 3.07Å; I303-V306 PolarHBondContact O-N 3.38Å; V306-S308 VanDerWaalsContact C-N 3.29Å; V306-S308 PolarHBondContact O-N 3.29Å; V306-R309 PolarHBondContact O-N 3.5Å; V306-R309 VanDerWaalsContact O-N 3.11Å; V306-V310 WeakPolarHBondContact O-CG2 3.31Å; V306-V310 PolarHBondContact O-N 2.77Å; V306-V310 VanDerWaalsContact O-N 3.12Å
307G78.8Confident73.3Confident33 Ų3392.9 Ų92.934%0.3450%0.501SS..Hα-helixtrans-59.8-39.6178.500000112.6I303 V310 L311I303-G307 PolarHBondContact O-N 3.21Å; G307-V310 PolarHBondContact O-N 3.15Å; G307-L311 WeakPolarHBondContact O-CG 3.18Å; G307-L311 PolarHBondContact O-N 3.13Å
308S73.4Confident72.8Confident12 Ų1291.2 Ų91.28%0.08450%0.499CS..Hα-helixtrans-65.5-38.8175.776.20000112.2H214 W304 I305 V306 V310 F312H214-S308 PolarHBondContact CE1-OG 3.46Å; H214-S308 PolarHBondContact ND1-OG 3.19Å; H214-S308 VanDerWaalsContact ND1-OG 3.13Å; W304-S308 VanDerWaalsContact O-CB 3.31Å; W304-S308 WeakPolarHBondContact O-CB 3.5Å; W304-S308 PolarHBondContact O-N 3.47Å; W304-S308 PolarHBondContact O-OG 2.97Å; I305-S308 PolarHBondContact O-N 3.12Å; I305-S308 PolarHBondContact O-OG 3.34Å; V306-S308 VanDerWaalsContact C-N 3.29Å; V306-S308 PolarHBondContact O-N 3.29Å; S308-V310 PolarHBondContact O-N 3.24Å; S308-F312 WeakPolarHBondContact O-CD2 3.47Å; S308-F312 PolarHBondContact O-N 2.89Å
309R70.9Confident72.2Confident156 Ų15690.2 Ų90.259%0.58949%0.486SS*.Hα-helixtrans-63.9-43.1177.7-72177.6-178.6176.91.3112.1I305 V306 F312 S313I305-R309 WeakPolarHBondContact O-CG 3.46Å; I305-R309 PolarHBondContact O-N 3.28Å; V306-R309 PolarHBondContact O-N 3.5Å; V306-R309 VanDerWaalsContact O-N 3.11Å; R309-F312 PolarHBondContact O-N 3.29Å; R309-S313 WeakPolarHBondContact O-CB 3.48Å; R309-S313 PolarHBondContact O-N 2.93Å; R309-S313 PolarHBondContact O-OG 3.37Å
310V72.4Confident71.4Confident87 Ų8792.1 Ų92.153%0.52750%0.497SS..Hα-helixtrans-65-43.1-178.6174.90000111.8V306 G307 S308 F312 S313 T314V306-V310 WeakPolarHBondContact O-CG2 3.31Å; V306-V310 PolarHBondContact O-N 2.77Å; V306-V310 VanDerWaalsContact O-N 3.12Å; G307-V310 PolarHBondContact O-N 3.15Å; S308-V310 PolarHBondContact O-N 3.24Å; V310-F312 VanDerWaalsContact C-N 3.3Å; V310-F312 PolarHBondContact O-N 3.04Å; V310-S313 PolarHBondContact O-OG 3.4Å; V310-T314 PolarHBondContact O-OG1 3.41Å
311L64.9Low70.5Confident128 Ų12894.2 Ų94.267%0.6750%0.504SS*.Hα-helixtrans-67.4-28.5179.5-73.4167.7000113.4G307 T314G307-L311 WeakPolarHBondContact O-CG 3.18Å; G307-L311 PolarHBondContact O-N 3.13Å; L311-T314 PolarHBondContact O-OG1 3.13Å; L311-T314 VanDerWaalsContact O-OG1 3.13Å
312F58.5Low69.6Low81 Ų8192.1 Ų92.136%0.35550%0.499SS..Hα-helixtrans-97.4-14.2-179.5-76.5-72.6000113.9R213 H214 S308 R309 V310 T314R213-F312 HydrophobicContact CG-CE2 3.83Å; R213-F312 HydrophobicContact CG-CZ 4.29Å; H214-F312 HydrophobicContact CB-CD2 3.95Å; H214-F312 HydrophobicContact CB-CE2 4.3Å; H214-F312 HydrophobicContact CB-CG 4.31Å; S308-F312 WeakPolarHBondContact O-CD2 3.47Å; S308-F312 PolarHBondContact O-N 2.89Å; R309-F312 PolarHBondContact O-N 3.29Å; V310-F312 VanDerWaalsContact C-N 3.3Å; V310-F312 PolarHBondContact O-N 3.04Å; F312-T314 PolarHBondContact O-N 3.42Å
313S54.5Low68.5Low94 Ų9485.9 Ų85.966%0.65749%0.487SS*.THydrogen-bonded Turntrans-74.5-10.6170.958.70000113.3R309 V310R309-S313 WeakPolarHBondContact O-CB 3.48Å; R309-S313 PolarHBondContact O-N 2.93Å; R309-S313 PolarHBondContact O-OG 3.37Å; V310-S313 PolarHBondContact O-OG 3.4Å
314T46.1Very low67.1Low110 Ų11086.9 Ų86.968%0.67550%0.496SS*.THydrogen-bonded Turntrans-105.315.1-178500000113.5V310 L311 F312V310-T314 PolarHBondContact O-OG1 3.41Å; L311-T314 PolarHBondContact O-OG1 3.13Å; L311-T314 VanDerWaalsContact O-OG1 3.13Å; F312-T314 PolarHBondContact O-N 3.42Å
315S42.1Very low65.8Low154 Ų15490.4 Ų90.4100%1.07752%0.524SS*.  trans-131.10176.9-620000109.8

Retrieved 315 of 315 residues in 225.1 ms (Link to these results)

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