A0A087Y4K4_POEFO Loading...

Peroxisomal ATPase PEX6

AlphaFold DB , UniProt , Accession A0A087Y4K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,064 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
1M51.3Low68.6Low215 Ų21562.9 Ų62.9100%1.05934%0.337SS*.  0151.40-72.5-171.1178.600109
2A60.1Low68.3Low53 Ų5366.7 Ų66.744%0.43836%0.357SS..PPolyproline II helixtrans-83.4119.4178.600000110.6V111 R112A2-V111 CarbonylContact C-O 3.55Å; A2-V111 VanDerWaalsContact CA-O 3.27Å; A2-V111 WeakPolarHBondContact CA-O 3.44Å; A2-R112 HydrophobicContact CB-CG 3.8Å
3A67.7Low68.4Low21 Ų2164.6 Ų64.617%0.17434%0.343CS..EExtended strand (participates in β ladder)trans-97.3144.817800000111V32 T110 V111A3-V32 HydrophobicContact CB-CG1 4.1Å; A3-V32 HydrophobicContact CB-CG2 4.48Å; A3-T110 CarbonylContact O-C 3.55Å; A3-T110 VanDerWaalsContact O-CA 3.3Å; A3-T110 WeakPolarHBondContact O-CA 3.17Å; A3-V111 PolarHBondContact N-O 3.23Å; A3-V111 PolarHBondContact O-N 2.68Å
4Q71Confident68.4Low92 Ų9262.6 Ų62.643%0.4334%0.336SS..EExtended strand (participates in β ladder)trans-82.5132.1172.4-72.7-167.4-1.500110.4R87 V88 G109 T110Q4-R87 HydrophobicContact CB-CG 4.33Å; Q4-R87 WeakPolarHBondContact O-CA 3.4Å; Q4-V88 PolarHBondContact O-N 3Å; Q4-V88 VanDerWaalsContact O-N 3.15Å; Q4-G109 WeakPolarHBondContact CA-O 3.5Å; Q4-T110 HydrophobicContact CG-CG2 4.46Å
5I73.8Confident68Low1 Ų165.9 Ų65.91%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-126.9144.4-174.3-59-153.4000111.2V88 F90 A108 G109 V111I5-V88 VanDerWaalsContact CA-O 3.24Å; I5-V88 WeakPolarHBondContact CA-O 3.46Å; I5-V88 HydrophobicContact CD1-CB 4.18Å; I5-V88 HydrophobicContact CD1-CG1 3.98Å; I5-V88 HydrophobicContact CG1-CB 4.1Å; I5-V88 HydrophobicContact CG1-CG1 4.42Å; I5-V88 WeakPolarHBondContact CG2-O 3.45Å; I5-F90 HydrophobicContact CD1-CD1 4.06Å; I5-F90 HydrophobicContact CD1-CD2 3.75Å; I5-F90 HydrophobicContact CD1-CE1 3.69Å; I5-F90 HydrophobicContact CD1-CE2 3.37Å; I5-F90 HydrophobicContact CD1-CG 4.09Å; I5-F90 HydrophobicContact CD1-CZ 3.32Å; I5-F90 HydrophobicContact CG2-CB 3.7Å; I5-F90 HydrophobicContact CG2-CD1 4.14Å; I5-F90 HydrophobicContact CG2-CD2 3.68Å; I5-F90 HydrophobicContact CG2-CE2 4.35Å; I5-F90 HydrophobicContact CG2-CG 3.56Å; I5-A108 CarbonylContact O-C 3.49Å; I5-A108 VanDerWaalsContact O-CA 3.25Å; I5-A108 WeakPolarHBondContact O-CA 3.24Å; I5-G109 PolarHBondContact N-O 3.13Å; I5-G109 PolarHBondContact O-N 3.42Å; I5-V111 HydrophobicContact CD1-CB 3.35Å; I5-V111 HydrophobicContact CD1-CG1 3.5Å; I5-V111 VanDerWaalsContact CD1-CG1 3.5Å; I5-V111 HydrophobicContact CD1-CG2 3.49Å; I5-V111 VanDerWaalsContact CD1-CG2 3.49Å; I5-V111 HydrophobicContact CG1-CB 3.84Å; I5-V111 HydrophobicContact CG1-CG1 4.36Å; I5-V111 HydrophobicContact CG1-CG2 4.12Å
6Q75.8Confident67.7Low65 Ų6569.8 Ų69.830%0.30437%0.373SS..EExtended strand (participates in β ladder)trans-110.9121.3169.1-172.6173.6-5.600110.2V88 F90 S106Q6-V88 PolarHBondContact N-O 2.89Å; Q6-F90 PolarHBondContact O-N 3.23Å; Q6-S106 PolarHBondContact NE2-OG 2.92Å
7L74.1Confident67.8Low9 Ų966.8 Ų66.85%0.04736%0.357CS..EExtended strand (participates in β ladder)trans-85.7133175.2-76.6168.4000111.3F44 F90 A92 F96 I102 C107L7-F44 HydrophobicContact CD1-CD2 4.42Å; L7-F44 HydrophobicContact CD1-CE1 3.81Å; L7-F44 HydrophobicContact CD1-CE2 3.65Å; L7-F44 HydrophobicContact CD1-CZ 3.3Å; L7-F44 HydrophobicContact CG-CE2 4.1Å; L7-F44 HydrophobicContact CG-CZ 4.21Å; L7-F90 CarbonylContact C-O 3.59Å; L7-F90 WeakPolarHBondContact CA-O 3.3Å; L7-F90 HydrophobicContact CD2-CB 3.63Å; L7-A92 HydrophobicContact CD2-CB 4.4Å; L7-F96 HydrophobicContact CD1-CE1 4.43Å; L7-I102 HydrophobicContact CD1-CD1 4.4Å; L7-C107 HydrophobicContact CB-CB 4.45Å; L7-C107 PolarHBondContact N-O 3.42Å
8S72.4Confident67.8Low26 Ų2663.4 Ų63.418%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-126.2148.6176.459.10000111.4F90 F91 A92S8-F90 PolarHBondContact N-O 2.93Å; S8-F90 PolarHBondContact OG-O 3.42Å; S8-F90 VanDerWaalsContact OG-O 3.13Å; S8-F91 WeakPolarHBondContact O-CA 3.46Å; S8-F91 WeakPolarHBondContact OG-CD1 3.41Å; S8-F91 VanDerWaalsContact OG-CE1 3.29Å; S8-F91 WeakPolarHBondContact OG-CE1 3.43Å; S8-A92 PolarHBondContact O-N 3.08Å
9C72.1Confident67.8Low40 Ų4062.1 Ų62.127%0.2734%0.335SS..EExtended strand (participates in β ladder)trans-93.6130.9-177.1-170.50000110.4L97C9-L97 HydrophobicContact CB-CD1 3.55Å
10L72.6Confident67.9Low7 Ų759.7 Ų59.74%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-93.9142.1166.1-75166.3000110.6F13 L23 I69 A72 F91 A92L10-F13 HydrophobicContact CD1-CD2 4.49Å; L10-L23 HydrophobicContact CD1-CD1 3.86Å; L10-I69 HydrophobicContact CD2-CG2 4.29Å; L10-A72 HydrophobicContact CD2-CB 4.27Å; L10-F91 HydrophobicContact CD1-CB 3.58Å; L10-F91 HydrophobicContact CD1-CD1 4.45Å; L10-F91 HydrophobicContact CD1-CG 4.25Å; L10-F91 HydrophobicContact CD2-CD1 4.34Å; L10-F91 HydrophobicContact CG-CB 3.99Å; L10-F91 HydrophobicContact CG-CD1 4.21Å; L10-F91 HydrophobicContact CG-CG 4.47Å; L10-A92 PolarHBondContact N-O 3.11Å; L10-A92 VanDerWaalsContact N-O 3.07Å
11E63.5Low68.3Low163 Ų16357.7 Ų57.776%0.76231%0.311SS*.SBendtrans-79.8-40.7176.5-66.3-167.1159.900111.6
12N64.8Low69.5Low108 Ų10847.4 Ų47.458%0.57826%0.261SS*.SBendtrans-113.8105.9175.7-64.9-27.7000110.3A72N12-A72 PolarHBondContact N-O 3.33Å; N12-A72 WeakPolarHBondContact O-CB 3.2Å
13F70.1Confident70.3Confident40 Ų4045.1 Ų45.118%0.17524%0.241CC..  trans-92.5140.9178.5-162-98000111L10 T15 I17 S18 L23L10-F13 HydrophobicContact CD1-CD2 4.49Å; F13-T15 PolarHBondContact O-N 3.19Å; F13-I17 HydrophobicContact CE1-CB 3.88Å; F13-I17 HydrophobicContact CE1-CG2 3.76Å; F13-I17 HydrophobicContact CZ-CB 4.46Å; F13-I17 HydrophobicContact CZ-CG2 3.97Å; F13-S18 WeakPolarHBondContact CE1-O 3.43Å; F13-L23 HydrophobicContact CD2-CD1 4.32Å; F13-L23 HydrophobicContact CE2-CD1 3.85Å; F13-L23 HydrophobicContact CE2-CD2 4.47Å; F13-L23 HydrophobicContact CE2-CG 3.85Å; F13-L23 HydrophobicContact CZ-CD1 4.38Å; F13-L23 HydrophobicContact CZ-CD2 4.27Å; F13-L23 HydrophobicContact CZ-CG 4.14Å
14P68.8Low70.8Confident37 Ų3744.1 Ų44.124%0.2423%0.232CC..  trans-61.8135-178.6-18.529.8000112.7H16 I17 L23P14-H16 VanDerWaalsContact C-N 3.31Å; P14-H16 WeakPolarHBondContact CB-CE1 3.47Å; P14-H16 PolarHBondContact O-N 3.26Å; P14-I17 HydrophobicContact CB-CD1 4.26Å; P14-I17 HydrophobicContact CB-CG1 4.44Å; P14-I17 HydrophobicContact CG-CD1 4.29Å; P14-I17 PolarHBondContact O-N 3.06Å; P14-L23 HydrophobicContact CG-CD1 4.13Å
15T62.7Low71Confident111 Ų11140.3 Ų40.368%0.68122%0.215SC*.THydrogen-bonded Turntrans-76.9-13.3-174.553.30000114.7F13 I17F13-T15 PolarHBondContact O-N 3.19Å; T15-I17 VanDerWaalsContact C-N 3.35Å
16H63.1Low70.8Confident128 Ų12844.6 Ų44.659%0.59324%0.235SC*.THydrogen-bonded Turntrans-85.6-8.517756.7-86000112.9P14P14-H16 VanDerWaalsContact C-N 3.31Å; P14-H16 WeakPolarHBondContact CB-CE1 3.47Å; P14-H16 PolarHBondContact O-N 3.26Å
17I68.4Low70.2Confident19 Ų1944.7 Ų44.710%0.09724%0.241CC..SBendtrans-110.9144.2-178.5-58.1177.1000109F13 P14 T15 D21 L23 H62F13-I17 HydrophobicContact CE1-CB 3.88Å; F13-I17 HydrophobicContact CE1-CG2 3.76Å; F13-I17 HydrophobicContact CZ-CB 4.46Å; F13-I17 HydrophobicContact CZ-CG2 3.97Å; P14-I17 HydrophobicContact CB-CD1 4.26Å; P14-I17 HydrophobicContact CB-CG1 4.44Å; P14-I17 HydrophobicContact CG-CD1 4.29Å; P14-I17 PolarHBondContact O-N 3.06Å; T15-I17 VanDerWaalsContact C-N 3.35Å; I17-D21 HydrophobicContact CG2-CB 3.84Å; I17-L23 HydrophobicContact CD1-CD2 3.5Å; I17-L23 VanDerWaalsContact CD1-CD2 3.5Å; I17-L23 HydrophobicContact CG2-CD2 4.49Å; I17-H62 HydrophobicContact CD1-CB 4.23Å; I17-H62 VanDerWaalsContact CG2-CD2 3.5Å; I17-H62 WeakPolarHBondContact CG2-CD2 3.46Å
18S68.8Low69.9Low6 Ų646.3 Ų46.34%0.04225%0.25CS..  trans-62133.9176.1-177.10000110.1F13 L20 D21 L163F13-S18 WeakPolarHBondContact CE1-O 3.43Å; S18-L20 PolarHBondContact O-N 3.46Å; S18-D21 WeakPolarHBondContact CB-OD2 3.45Å; S18-D21 WeakPolarHBondContact O-CB 3.46Å; S18-D21 PolarHBondContact O-N 3.49Å; S18-L163 WeakPolarHBondContact OG-CB 3.4Å; S18-L163 PolarHBondContact OG-O 3.26Å; S18-L163 VanDerWaalsContact OG-O 3.11Å
19P66.6Low69.6Low39 Ų3945.8 Ų45.825%0.25325%0.245SC..THydrogen-bonded Turntrans-69.8-4.2-178.728.4-33.7000113.2S93 Y95 L163P19-S93 WeakPolarHBondContact O-CB 3.31Å; P19-S93 PolarHBondContact O-OG 3.48Å; P19-Y95 HydrophobicContact CB-CD1 4.47Å; P19-L163 HydrophobicContact CG-CD1 3.58Å
20L70.2Confident69.2Low13 Ų1350.1 Ų50.17%0.06826%0.261CS..THydrogen-bonded Turntrans-92.3-8.2170.7-70.6173.5000113.7S18 Y95 F96 Y100 L163S18-L20 PolarHBondContact O-N 3.46Å; L20-Y95 HydrophobicContact CD2-CD1 4.25Å; L20-Y95 HydrophobicContact CD2-CE1 4.15Å; L20-F96 HydrophobicContact CD2-CD2 4.29Å; L20-F96 WeakPolarHBondContact O-CD2 3.49Å; L20-Y100 HydrophobicContact CD2-CE2 4.12Å; L20-L163 HydrophobicContact CB-CD1 4.48Å; L20-L163 HydrophobicContact CD1-CB 4.39Å; L20-L163 HydrophobicContact CD1-CD1 3.54Å; L20-L163 HydrophobicContact CD1-CG 4.19Å; L20-L163 HydrophobicContact CG-CD1 3.55Å
21D76.7Confident68.7Low18 Ų1853.9 Ų53.910%0.09629%0.288CS..SBendtrans-86.4168.4176.8-64.2-14.4000111.7I17 S18 H62I17-D21 HydrophobicContact CG2-CB 3.84Å; S18-D21 WeakPolarHBondContact CB-OD2 3.45Å; S18-D21 WeakPolarHBondContact O-CB 3.46Å; S18-D21 PolarHBondContact O-N 3.49Å; D21-H62 IonicContact OD2-CD2 3.92Å; D21-H62 IonicContact OD2-NE2 2.93Å; D21-H62 PolarHBondContact OD2-NE2 3.24Å
22V76.6Confident68.5Low0 Ų048.1 Ų48.10%026%0.264CS..EExtended strand (participates in β ladder)trans-125.3143.3-175.5174.10000110.7L59 Q60 V61 H62 F90 F91 A92V22-L59 HydrophobicContact CG2-CD1 3.91Å; V22-L59 HydrophobicContact CG2-CD2 4.38Å; V22-Q60 PolarHBondContact N-O 3.21Å; V22-V61 WeakPolarHBondContact O-CA 3.36Å; V22-H62 PolarHBondContact O-N 3.35Å; V22-F90 HydrophobicContact CG1-CB 3.48Å; V22-F90 VanDerWaalsContact CG1-CB 3.48Å; V22-F90 HydrophobicContact CG1-CD1 4.42Å; V22-F90 HydrophobicContact CG1-CD2 3.7Å; V22-F90 HydrophobicContact CG1-CG 3.62Å; V22-F91 WeakPolarHBondContact CG1-O 3.37Å; V22-A92 HydrophobicContact CG2-CB 4.24Å
23L76.3Confident68.5Low4 Ų444.3 Ų44.32%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-100.2141.5176-48174000109.9L10 F13 P14 I17 H62 T64 F91L10-L23 HydrophobicContact CD1-CD1 3.86Å; F13-L23 HydrophobicContact CD2-CD1 4.32Å; F13-L23 HydrophobicContact CE2-CD1 3.85Å; F13-L23 HydrophobicContact CE2-CD2 4.47Å; F13-L23 HydrophobicContact CE2-CG 3.85Å; F13-L23 HydrophobicContact CZ-CD1 4.38Å; F13-L23 HydrophobicContact CZ-CD2 4.27Å; F13-L23 HydrophobicContact CZ-CG 4.14Å; P14-L23 HydrophobicContact CG-CD1 4.13Å; I17-L23 HydrophobicContact CD1-CD2 3.5Å; I17-L23 VanDerWaalsContact CD1-CD2 3.5Å; I17-L23 HydrophobicContact CG2-CD2 4.49Å; L23-H62 HydrophobicContact CD2-CB 3.91Å; L23-T64 HydrophobicContact CB-CG2 3.89Å; L23-T64 HydrophobicContact CD1-CG2 4.12Å; L23-T64 HydrophobicContact CD2-CG2 3.81Å; L23-T64 HydrophobicContact CG-CG2 4.13Å; L23-F91 HydrophobicContact CB-CB 4.23Å; L23-F91 PolarHBondContact N-O 3.21Å; L23-F91 PolarHBondContact O-N 3.4Å
24A78.4Confident67.8Low0 Ų050.9 Ų50.90%027%0.274CS..EExtended strand (participates in β ladder)trans-133.9154.1172.500000110.7L29 V61 H62 T64 F90A24-L29 HydrophobicContact CB-CD1 3.83Å; A24-L29 HydrophobicContact CB-CD2 4.21Å; A24-L29 HydrophobicContact CB-CG 3.77Å; A24-V61 HydrophobicContact CB-CG1 3.59Å; A24-H62 PolarHBondContact N-O 2.93Å; A24-H62 VanDerWaalsContact N-O 3.1Å; A24-T64 PolarHBondContact O-N 3.22Å; A24-T64 PolarHBondContact O-OG1 2.81Å; A24-F90 HydrophobicContact CB-CD1 3.71Å; A24-F90 HydrophobicContact CB-CE1 3.63Å
25L74.3Confident66.7Low12 Ų1257.4 Ų57.46%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-73134.7174.9-72.9170000109.7P27 D28 L29 R66 I69 F91L25-P27 HydrophobicContact CB-CG 4.3Å; L25-D28 HydrophobicContact CB-CB 4.38Å; L25-D28 PolarHBondContact O-N 3.04Å; L25-L29 PolarHBondContact O-N 3.33Å; L25-R66 HydrophobicContact CD2-CG 3.65Å; L25-I69 HydrophobicContact CD2-CD1 3.49Å; L25-I69 VanDerWaalsContact CD2-CD1 3.49Å; L25-I69 HydrophobicContact CG-CD1 4.13Å; L25-F91 HydrophobicContact CG-CE2 4.28Å
26E69.6Low66Low92 Ų9258.7 Ų58.743%0.4330%0.303SS..Hα-helixtrans-45.6-49.3175.3-72.2178167.300114.6D28 L29 E30 P63 T64E26-D28 VanDerWaalsContact C-N 3.31Å; E26-D28 PolarHBondContact O-N 2.64Å; E26-L29 WeakPolarHBondContact O-CB 3.49Å; E26-L29 PolarHBondContact O-N 3.06Å; E26-E30 WeakPolarHBondContact O-CG 3.38Å; E26-E30 PolarHBondContact O-N 2.9Å; E26-P63 HydrophobicContact CG-CB 3.91Å; E26-T64 PolarHBondContact N-O 3.31Å
27P64.9Low65.4Low67 Ų6757.7 Ų57.744%0.43531%0.306SS..Hα-helixtrans-66.6-29.7179.924.8-36.2000113.9L25 S31L25-P27 HydrophobicContact CB-CG 4.3Å; P27-S31 PolarHBondContact O-N 3.41Å
28D66.5Low64.7Low43 Ų4364.2 Ų64.223%0.2334%0.342CS..Hα-helixtrans-75-33.5177.1-67.7-15000110.4L25 E26 S31 V32 V88L25-D28 HydrophobicContact CB-CB 4.38Å; L25-D28 PolarHBondContact O-N 3.04Å; E26-D28 VanDerWaalsContact C-N 3.31Å; E26-D28 PolarHBondContact O-N 2.64Å; D28-S31 PolarHBondContact O-OG 3.14Å; D28-V32 VanDerWaalsContact O-CG2 3.32Å; D28-V32 WeakPolarHBondContact O-CG2 3.37Å; D28-V88 HydrophobicContact CB-CG1 4.14Å
29L66.3Low64.3Low15 Ų1566.4 Ų66.48%0.07935%0.351CS..Hα-helixtrans-67.6-48.5174-82.7162.4000112A24 L25 E26 S31 V32 F33 P40 V61 P63A24-L29 HydrophobicContact CB-CD1 3.83Å; A24-L29 HydrophobicContact CB-CD2 4.21Å; A24-L29 HydrophobicContact CB-CG 3.77Å; L25-L29 PolarHBondContact O-N 3.33Å; E26-L29 WeakPolarHBondContact O-CB 3.49Å; E26-L29 PolarHBondContact O-N 3.06Å; L29-S31 PolarHBondContact O-N 3.45Å; L29-V32 PolarHBondContact O-N 3.45Å; L29-F33 HydrophobicContact CD2-CD2 3.6Å; L29-F33 HydrophobicContact CD2-CE2 3.74Å; L29-F33 WeakPolarHBondContact O-CD2 3.29Å; L29-F33 PolarHBondContact O-N 3.33Å; L29-P40 HydrophobicContact CD2-CG 3.87Å; L29-V61 HydrophobicContact CD1-CG1 4.46Å; L29-V61 HydrophobicContact CD2-CG1 3.92Å; L29-P63 HydrophobicContact CD1-CB 3.86Å
30E64.5Low64.4Low131 Ų13165.4 Ų65.461%0.61234%0.344SS*.Hα-helixtrans-60.7-31.6179.3-72-179.8168.900112.5E26 V32E26-E30 WeakPolarHBondContact O-CG 3.38Å; E26-E30 PolarHBondContact O-N 2.9Å; E30-V32 VanDerWaalsContact C-N 3.33Å; E30-V32 PolarHBondContact O-N 3.05Å
31S62.2Low64.4Low86 Ų8666.2 Ų66.260%0.60135%0.348SS*.Hα-helixtrans-72-24177.177.70000114.1P27 D28 L29P27-S31 PolarHBondContact O-N 3.41Å; D28-S31 PolarHBondContact O-OG 3.14Å; L29-S31 PolarHBondContact O-N 3.45Å
32V58.9Low64.2Low41 Ų4165.3 Ų65.325%0.24834%0.344CS..Hα-helixtrans-106.7-35.3-173.8179.70000112.2A3 D28 L29 E30 V88A3-V32 HydrophobicContact CB-CG1 4.1Å; A3-V32 HydrophobicContact CB-CG2 4.48Å; D28-V32 VanDerWaalsContact O-CG2 3.32Å; D28-V32 WeakPolarHBondContact O-CG2 3.37Å; L29-V32 PolarHBondContact O-N 3.45Å; E30-V32 VanDerWaalsContact C-N 3.33Å; E30-V32 PolarHBondContact O-N 3.05Å; V32-V88 HydrophobicContact CG2-CG2 3.37Å
33F64.6Low64Low28 Ų2865.7 Ų65.712%0.12335%0.346CS..SBendtrans-119.6102.5-173.9-54-79.6000108.5L29 H35 P40 V42 V111 P113L29-F33 HydrophobicContact CD2-CD2 3.6Å; L29-F33 HydrophobicContact CD2-CE2 3.74Å; L29-F33 WeakPolarHBondContact O-CD2 3.29Å; L29-F33 PolarHBondContact O-N 3.33Å; F33-H35 PolarHBondContact O-N 3.2Å; F33-P40 HydrophobicContact CD1-CB 4.41Å; F33-P40 HydrophobicContact CG-CB 4.47Å; F33-V42 HydrophobicContact CE1-CG2 3.83Å; F33-V42 HydrophobicContact CE2-CG2 4.45Å; F33-V42 HydrophobicContact CZ-CG2 3.54Å; F33-V111 HydrophobicContact CZ-CG1 4.12Å; F33-P113 HydrophobicContact CD1-CB 3.89Å; F33-P113 HydrophobicContact CD1-CG 4.21Å; F33-P113 HydrophobicContact CE1-CB 3.67Å; F33-P113 HydrophobicContact CE1-CG 4.01Å
34Q56.1Low63.8Low178 Ų17865.5 Ų65.583%0.83235%0.345SS*.  trans-67.6103.3178.9-68.2176-9.800109.7D36Q34-D36 VanDerWaalsContact C-N 3.26Å; Q34-D36 PolarHBondContact O-N 3.42Å
35H45.6Very low63.5Low174 Ų17467.4 Ų67.481%0.80636%0.356SS*.SBendtrans46.3-4162.3-77.9-58.2000123F33F33-H35 PolarHBondContact O-N 3.2Å
36D47.7Very low63.2Low139 Ų13969 Ų6974%0.74337%0.367SS*.  trans-106.5118.8-177.3-73.2-29.4000112.6Q34Q34-D36 VanDerWaalsContact C-N 3.26Å; Q34-D36 PolarHBondContact O-N 3.42Å
37T49.9Very low62.5Low106 Ų10668.7 Ų68.765%0.6537%0.369SS*.  trans92.5127.7172.371.60000117.8Q39T37-Q39 PolarHBondContact O-N 3.36Å; T37-Q39 VanDerWaalsContact O-N 3.1Å
38N53.1Low61.9Low157 Ų15775.7 Ų75.784%0.8439%0.387SS*.SBendtrans-64.2-10.4178.7-74.8-22.5000113.9
39Q62.1Low61Low52 Ų5278.6 Ų78.624%0.24341%0.408CS..SBendtrans-151.388.9179.3-68.6-178.2-16.800110.3T37 H62T37-Q39 PolarHBondContact O-N 3.36Å; T37-Q39 VanDerWaalsContact O-N 3.1Å; Q39-H62 PolarHBondContact NE2-ND1 3.03Å
40P68.4Low59.9Low17 Ų1784 Ų8411%0.1143%0.432CS..  trans-71.3133.4-178.325.6-30.8000111.7L29 F33 V61L29-P40 HydrophobicContact CD2-CG 3.87Å; F33-P40 HydrophobicContact CD1-CB 4.41Å; F33-P40 HydrophobicContact CG-CB 4.47Å; P40-V61 HydrophobicContact CG-CB 4.38Å; P40-V61 PolarHBondContact O-N 2.85Å; P40-V61 VanDerWaalsContact O-N 3.09Å
41I70.6Confident58.6Low30 Ų3084.1 Ų84.115%0.15444%0.436CS..EExtended strand (participates in β ladder)trans-95.5131.4173.6-61172.2000108.9L58 L59 L114 P116 L155I41-L58 HydrophobicContact CG2-CD2 4.14Å; I41-L59 WeakPolarHBondContact CA-O 3.43Å; I41-L114 PolarHBondContact O-N 3.49Å; I41-P116 HydrophobicContact CD1-CG 3.55Å; I41-P116 HydrophobicContact CG2-CG 4.37Å; I41-L155 HydrophobicContact CD1-CD2 4.32Å; I41-L155 HydrophobicContact CG2-CD1 4.2Å; I41-L155 HydrophobicContact CG2-CD2 4.49Å
42V72.4Confident57.4Low0 Ų086.3 Ų86.30%045%0.451CS..EExtended strand (participates in β ladder)trans-134.4130.5-164.2178.80000110.9F33 F44 L58 L59 V61 V111 R112F33-V42 HydrophobicContact CE1-CG2 3.83Å; F33-V42 HydrophobicContact CE2-CG2 4.45Å; F33-V42 HydrophobicContact CZ-CG2 3.54Å; V42-F44 PolarHBondContact O-N 3.07Å; V42-L58 CarbonylContact O-C 3.56Å; V42-L59 PolarHBondContact N-O 3.15Å; V42-L59 PolarHBondContact O-N 3.47Å; V42-V61 HydrophobicContact CB-CG2 4.09Å; V42-V61 HydrophobicContact CG2-CG2 3.74Å; V42-V111 HydrophobicContact CG1-CB 3.72Å; V42-V111 HydrophobicContact CG1-CG1 3.14Å; V42-V111 HydrophobicContact CG1-CG2 3.46Å; V42-V111 VanDerWaalsContact CG1-CG2 3.46Å; V42-R112 WeakPolarHBondContact CA-O 3.47Å
43L71.8Confident56.7Low8 Ų888.9 Ų88.94%0.04246%0.463CS..EExtended strand (participates in β ladder)trans-82.8111.4170.4-169.580.8000110.6T45 G56 L58 V111 R112 L114L43-T45 HydrophobicContact CD2-CG2 4.29Å; L43-G56 WeakPolarHBondContact CD1-O 3.49Å; L43-L58 HydrophobicContact CD1-CD2 4.06Å; L43-L58 HydrophobicContact CD1-CG 4.24Å; L43-V111 WeakPolarHBondContact O-CA 3.43Å; L43-R112 PolarHBondContact N-O 3.43Å; L43-R112 PolarHBondContact O-N 3.37Å; L43-R112 VanDerWaalsContact O-N 3.07Å; L43-L114 HydrophobicContact CB-CB 4.32Å; L43-L114 HydrophobicContact CB-CD2 4.19Å; L43-L114 HydrophobicContact CD1-CD2 4.2Å
44F72.8Confident55.7Low0 Ų098 Ų980%050%0.497CS..EExtended strand (participates in β ladder)trans-91.6122.8172.9175.7-97.3000111.3L7 V42 P46 I57 L59 V111L7-F44 HydrophobicContact CD1-CD2 4.42Å; L7-F44 HydrophobicContact CD1-CE1 3.81Å; L7-F44 HydrophobicContact CD1-CE2 3.65Å; L7-F44 HydrophobicContact CD1-CZ 3.3Å; L7-F44 HydrophobicContact CG-CE2 4.1Å; L7-F44 HydrophobicContact CG-CZ 4.21Å; V42-F44 PolarHBondContact O-N 3.07Å; F44-P46 HydrophobicContact CE1-CB 3.98Å; F44-P46 HydrophobicContact CE1-CG 4.4Å; F44-P46 HydrophobicContact CZ-CB 4.29Å; F44-I57 HydrophobicContact CD1-CD1 4.47Å; F44-I57 PolarHBondContact N-O 3.31Å; F44-I57 PolarHBondContact O-N 2.98Å; F44-L59 HydrophobicContact CB-CD1 3.46Å; F44-L59 VanDerWaalsContact CB-CD1 3.46Å; F44-L59 HydrophobicContact CB-CG 4.14Å; F44-L59 HydrophobicContact CG-CD1 4.03Å; F44-V111 HydrophobicContact CB-CG2 4.07Å; F44-V111 HydrophobicContact CD2-CG2 3.88Å; F44-V111 HydrophobicContact CG-CG2 4.48Å
45T71.3Confident55.6Low39 Ų3990.8 Ų90.824%0.23947%0.467CS..EExtended strand (participates in β ladder)trans-117.6115.2174.146.80000110.1L43 G109 T110L43-T45 HydrophobicContact CD2-CG2 4.29Å; T45-G109 CarbonylContact O-C 3.56Å; T45-G109 WeakPolarHBondContact O-CA 3.45Å; T45-T110 PolarHBondContact N-O 3.47Å; T45-T110 PolarHBondContact O-N 3.13Å; T45-T110 PolarHBondContact OG1-O 3.44Å; T45-T110 VanDerWaalsContact OG1-O 3.09Å; T45-T110 PolarHBondContact OG1-OG1 2.94Å
46P66.9Low56.4Low45 Ų4582.6 Ų82.629%0.29243%0.43SS..EExtended strand (participates in β ladder)trans-71.7139.2179.926.9-32.3000111.4F44 R48F44-P46 HydrophobicContact CE1-CB 3.98Å; F44-P46 HydrophobicContact CE1-CG 4.4Å; F44-P46 HydrophobicContact CZ-CB 4.29Å; P46-R48 PolarHBondContact O-N 3.46Å
47N56.9Low57.6Low87 Ų8776.9 Ų76.947%0.46540%0.399SS..SBendtrans-64.8-14.2-179.5-78.5-18.9000114.1A108N47-A108 WeakPolarHBondContact CB-O 3.33Å; N47-A108 PolarHBondContact N-O 3.33Å; N47-A108 PolarHBondContact ND2-O 3.24Å
48R51.7Low58.7Low214 Ų21471.9 Ų71.981%0.80837%0.368SS*.SBendtrans-128.997.6174.6-71.3-175.1178.3175.2-0.1108.8P46 Q50P46-R48 PolarHBondContact O-N 3.46Å; R48-Q50 PolarHBondContact O-N 2.94Å
49P47.4Very low59.7Low104 Ų10464.5 Ų64.568%0.67533%0.329SS*.  trans-66.5109176.126.2-31.6000108.3
50Q42.2Very low60.3Low128 Ų12862.9 Ų62.960%0.59832%0.321SS*.  trans-95.9109.1167.3-72.1-170.4-8.100106.9R48R48-Q50 PolarHBondContact O-N 2.94Å
51L37.4Very low60.6Low133 Ų13362 Ų6270%0.69632%0.316SS*.SBendtrans68115.4177.7-67.5102.7000115.9D53L51-D53 PolarHBondContact O-N 3.03Å
52C37Very low60.9Low133 Ų13361.8 Ų61.890%0.89931%0.314SS*.SBendtrans20.772.3146.4-65.40000118.1
53D44.3Very low60.9Low95 Ų9564.5 Ų64.551%0.50833%0.332SS..  -161.4123.4122-121-17.3000105.1L51 A55 K193L51-D53 PolarHBondContact O-N 3.03Å; D53-A55 HydrophobicContact CB-CB 4.27Å; D53-A55 PolarHBondContact O-N 3.07Å; D53-K193 IonicContact OD1-NZ 2.9Å; D53-K193 PolarHBondContact OD1-NZ 3.14Å; D53-K193 IonicContact OD2-NZ 3.67Å; D53-K193 PolarHBondContact OD2-NZ 3.2Å
54R43.9Very low60.9Low220 Ų22064.5 Ų64.583%0.8333%0.332SS*.  trans-67.40.3174-75.2-176.8177.7-173.20.7111.9G56 E516R54-G56 PolarHBondContact O-N 3.03Å; R54-E516 IonicContact CZ-OE2 2.83Å; R54-E516 IonicContact NH2-OE2 3.54Å; R54-E516 PolarHBondContact NH2-OE2 3.18Å
55A54.6Low60.9Low25 Ų2567.1 Ų67.121%0.20735%0.348CS..  trans-69.4124-179.700000109.9D53D53-A55 HydrophobicContact CB-CB 4.27Å; D53-A55 PolarHBondContact O-N 3.07Å
56G62.9Low60.5Low2 Ų273.4 Ų73.42%0.02137%0.367CS..  trans-64.9155.8168.600000110.4L43 R54 Q194L43-G56 WeakPolarHBondContact CD1-O 3.49Å; R54-G56 PolarHBondContact O-N 3.03Å; G56-Q194 PolarHBondContact O-OE1 3.3Å
57I72.1Confident60.1Low20 Ų2078.8 Ų78.810%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-93.4109.9-179.2-61.4175.6000107F44 L59 Y100 R157F44-I57 HydrophobicContact CD1-CD1 4.47Å; F44-I57 PolarHBondContact N-O 3.31Å; F44-I57 PolarHBondContact O-N 2.98Å; I57-L59 HydrophobicContact CG2-CD2 3.55Å; I57-L59 HydrophobicContact CG2-CG 4.03Å; I57-L59 PolarHBondContact O-N 3.06Å; I57-Y100 HydrophobicContact CD1-CD1 3.79Å; I57-Y100 HydrophobicContact CD1-CE1 4.01Å; I57-Y100 HydrophobicContact CD1-CG 4.1Å; I57-Y100 HydrophobicContact CG1-CE1 4.49Å; I57-Y100 HydrophobicContact CG2-CE1 4.48Å; I57-Y100 HydrophobicContact CG2-CE2 4.42Å; I57-R157 VanDerWaalsContact C-NH2 3.26Å
58L72.8Confident60.4Low1 Ų179.9 Ų79.91%0.00539%0.391CS..EExtended strand (participates in β ladder)trans-62.9107.6167.2-74.8178000113.4I41 V42 L43 L114 P116 R157 Q194I41-L58 HydrophobicContact CG2-CD2 4.14Å; V42-L58 CarbonylContact O-C 3.56Å; L43-L58 HydrophobicContact CD1-CD2 4.06Å; L43-L58 HydrophobicContact CD1-CG 4.24Å; L58-L114 HydrophobicContact CD2-CB 4.4Å; L58-L114 HydrophobicContact CD2-CD2 3.66Å; L58-L114 HydrophobicContact CD2-CG 4.18Å; L58-P116 HydrophobicContact CD1-CB 4.38Å; L58-R157 VanDerWaalsContact C-NH2 3.34Å; L58-R157 PolarHBondContact O-NE 3.02Å; L58-R157 PolarHBondContact O-NH1 2.68Å; L58-R157 PolarHBondContact O-NH2 3.45Å; L58-Q194 HydrophobicContact CD1-CB 3.73Å; L58-Q194 HydrophobicContact CG-CB 4.42Å; L58-Q194 VanDerWaalsContact N-OE1 3.13Å
59L74.3Confident60.9Low1 Ų169.9 Ų69.91%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-108.2137.7178.8-59.3175.2000110.6V22 I41 V42 F44 I57 F96V22-L59 HydrophobicContact CG2-CD1 3.91Å; V22-L59 HydrophobicContact CG2-CD2 4.38Å; I41-L59 WeakPolarHBondContact CA-O 3.43Å; V42-L59 PolarHBondContact N-O 3.15Å; V42-L59 PolarHBondContact O-N 3.47Å; F44-L59 HydrophobicContact CB-CD1 3.46Å; F44-L59 VanDerWaalsContact CB-CD1 3.46Å; F44-L59 HydrophobicContact CB-CG 4.14Å; F44-L59 HydrophobicContact CG-CD1 4.03Å; I57-L59 HydrophobicContact CG2-CD2 3.55Å; I57-L59 HydrophobicContact CG2-CG 4.03Å; I57-L59 PolarHBondContact O-N 3.06Å; L59-F96 HydrophobicContact CD1-CZ 4.31Å; L59-F96 HydrophobicContact CD2-CE2 3.49Å; L59-F96 VanDerWaalsContact CD2-CE2 3.49Å; L59-F96 HydrophobicContact CD2-CZ 3.81Å
60Q74.4Confident61.4Low18 Ų1867.5 Ų67.58%0.08434%0.339CS..EExtended strand (participates in β ladder)trans-86.2127.4164.2-169.2168.6-0.700108.3V22 L155V22-Q60 PolarHBondContact N-O 3.21Å; Q60-L155 HydrophobicContact CB-CD1 4.07Å
61V75.4Confident62Low0 Ų066.1 Ų66.10%034%0.343CS..EExtended strand (participates in β ladder)trans-106.5124.5-178.5-173.70000109.7V22 A24 L29 P40 V42 F90V22-V61 WeakPolarHBondContact O-CA 3.36Å; A24-V61 HydrophobicContact CB-CG1 3.59Å; L29-V61 HydrophobicContact CD1-CG1 4.46Å; L29-V61 HydrophobicContact CD2-CG1 3.92Å; P40-V61 HydrophobicContact CG-CB 4.38Å; P40-V61 PolarHBondContact O-N 2.85Å; P40-V61 VanDerWaalsContact O-N 3.09Å; V42-V61 HydrophobicContact CB-CG2 4.09Å; V42-V61 HydrophobicContact CG2-CG2 3.74Å; V61-F90 HydrophobicContact CG1-CE1 4.35Å; V61-F90 HydrophobicContact CG1-CZ 4.34Å; V61-F90 HydrophobicContact CG2-CE2 4.08Å; V61-F90 HydrophobicContact CG2-CZ 3.98Å
62H76.3Confident62.9Low25 Ų2560.4 Ų60.412%0.11632%0.316CS..EExtended strand (participates in β ladder)trans-101.6131.6176.3-61.2-87.4000110.7I17 D21 V22 L23 A24 Q39I17-H62 HydrophobicContact CD1-CB 4.23Å; I17-H62 VanDerWaalsContact CG2-CD2 3.5Å; I17-H62 WeakPolarHBondContact CG2-CD2 3.46Å; D21-H62 IonicContact OD2-CD2 3.92Å; D21-H62 IonicContact OD2-NE2 2.93Å; D21-H62 PolarHBondContact OD2-NE2 3.24Å; V22-H62 PolarHBondContact O-N 3.35Å; L23-H62 HydrophobicContact CD2-CB 3.91Å; A24-H62 PolarHBondContact N-O 2.93Å; A24-H62 VanDerWaalsContact N-O 3.1Å; Q39-H62 PolarHBondContact NE2-ND1 3.03Å
63P73.4Confident63.6Low57 Ų5756 Ų5637%0.3729%0.293SS..EExtended strand (participates in β ladder)trans-69.3137174.628.4-32.3000110.5E26 L29E26-P63 HydrophobicContact CG-CB 3.91Å; L29-P63 HydrophobicContact CD1-CB 3.86Å
64T71.9Confident63.8Low8 Ų851.8 Ų51.85%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-138.9150.8179.252.40000112.1L23 A24 E26L23-T64 HydrophobicContact CB-CG2 3.89Å; L23-T64 HydrophobicContact CD1-CG2 4.12Å; L23-T64 HydrophobicContact CD2-CG2 3.81Å; L23-T64 HydrophobicContact CG-CG2 4.13Å; A24-T64 PolarHBondContact O-N 3.22Å; A24-T64 PolarHBondContact O-OG1 2.81Å; E26-T64 PolarHBondContact N-O 3.31Å
65T72.4Confident63.8Low54 Ų5451.1 Ų51.133%0.33127%0.269SS..  trans-90.4157.6177.565.30000111.6E67 E68T65-E67 PolarHBondContact O-N 3.14Å; T65-E68 PolarHBondContact O-N 3.12Å
66R61.9Low63.3Low172 Ų17254.7 Ų54.765%0.64929%0.292SS*.Hα-helixtrans-62-26179.7-71.5-176.6176.1-179.60.1113.3L25 S70L25-R66 HydrophobicContact CD2-CG 3.65Å; R66-S70 PolarHBondContact O-N 2.85Å
67E59.3Low62.4Low158 Ų15857.4 Ų57.474%0.73831%0.31SS*.Hα-helixtrans-71.9-42.1-177.9-63.6-174.6175.100111.6T65 S70 S71T65-E67 PolarHBondContact O-N 3.14Å; E67-S70 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-OG 3.2Å; E67-S71 PolarHBondContact O-N 3Å
68E62.2Low61.3Low109 Ų10960 Ų6051%0.50932%0.324SS..Hα-helixtrans-64.9-42.7178.6-69.1175.1158.700112T65 S70 S71 A72T65-E68 PolarHBondContact O-N 3.12Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 3.2Å; E68-S71 PolarHBondContact O-N 2.82Å; E68-S71 PolarHBondContact O-OG 3.3Å; E68-A72 PolarHBondContact O-N 2.89Å; E68-A72 VanDerWaalsContact O-N 3.12Å
69I63Low59.8Low4 Ų465.6 Ų65.62%0.02136%0.358CS..Hα-helixtrans-63.3-35176.6-66161.5000111.4L10 L25 S71 A72 G74 F91L10-I69 HydrophobicContact CD2-CG2 4.29Å; L25-I69 HydrophobicContact CD2-CD1 3.49Å; L25-I69 VanDerWaalsContact CD2-CD1 3.49Å; L25-I69 HydrophobicContact CG-CD1 4.13Å; I69-S71 VanDerWaalsContact C-N 3.35Å; I69-A72 PolarHBondContact O-N 3.39Å; I69-G74 PolarHBondContact O-N 3.47Å; I69-F91 HydrophobicContact CD1-CD2 4.12Å; I69-F91 HydrophobicContact CD1-CE2 3.78Å; I69-F91 HydrophobicContact CD1-CZ 4.22Å; I69-F91 HydrophobicContact CG2-CE1 4.26Å; I69-F91 HydrophobicContact CG2-CZ 4.37Å
70S57.6Low58.2Low55 Ų5568.5 Ų68.539%0.38538%0.382SS..Hα-helixtrans-69.2-33.1177.982.30000112.6R66 E67 E68R66-S70 PolarHBondContact O-N 2.85Å; E67-S70 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-OG 3.2Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 3.2Å
71S55.9Low56.5Low98 Ų9874 Ų7469%0.68541%0.413SS*.Hα-helixtrans-74-27.2175.378.50000113E67 E68 I69 G73E67-S71 PolarHBondContact O-N 3Å; E68-S71 PolarHBondContact O-N 2.82Å; E68-S71 PolarHBondContact O-OG 3.3Å; I69-S71 VanDerWaalsContact C-N 3.35Å; S71-G73 VanDerWaalsContact C-N 3.27Å; S71-G73 PolarHBondContact O-N 3.37Å
72A54.5Low54.7Low14 Ų1479.8 Ų79.812%0.11645%0.453CS..THydrogen-bonded Turntrans-81.78.7-179.700000115.1L10 N12 E68 I69L10-A72 HydrophobicContact CD2-CB 4.27Å; N12-A72 PolarHBondContact N-O 3.33Å; N12-A72 WeakPolarHBondContact O-CB 3.2Å; E68-A72 PolarHBondContact O-N 2.89Å; E68-A72 VanDerWaalsContact O-N 3.12Å; I69-A72 PolarHBondContact O-N 3.39Å
73G51.7Low53Low40 Ų4085.5 Ų85.541%0.41248%0.484SS..THydrogen-bonded Turntrans94.67.5178.200000115.4S71 R75S71-G73 VanDerWaalsContact C-N 3.27Å; S71-G73 PolarHBondContact O-N 3.37Å; G73-R75 PolarHBondContact O-N 2.96Å
74G50.4Low51.4Low6 Ų687.3 Ų87.36%0.06250%0.498CS..G310 helixtrans-73.118.6-174.600000117.4I69 S76 C77 L78I69-G74 PolarHBondContact O-N 3.47Å; G74-S76 PolarHBondContact O-N 2.95Å; G74-C77 PolarHBondContact O-N 3.26Å; G74-L78 WeakPolarHBondContact O-CG 3.34Å
75R43.5Very low50.1Low207 Ų20790 Ų9078%0.78153%0.528SS*.G310 helixtrans-67.3-31.3-173.1-84.6-175.5176179.8-0.7114.4G73G73-R75 PolarHBondContact O-N 2.96Å
76S44.1Very low49Very low100 Ų10095.6 Ų95.670%0.69956%0.555SS**G310 helixtrans-84-11.3179.870.30000114.4G74G74-S76 PolarHBondContact O-N 2.95Å
77C44.1Very low48.9Very low59 Ų5993.1 Ų93.140%0.39955%0.545SS..THydrogen-bonded Turntrans-99.6-15.9-177.5-71.40000113.6G74G74-C77 PolarHBondContact O-N 3.26Å
78L47.6Very low49.3Very low75 Ų7586.2 Ų86.239%0.39351%0.514SS..SBendtrans-81.8-20.1179.7-70.4166.1000113.2G74G74-L78 WeakPolarHBondContact O-CG 3.34Å
79T41Very low49.9Very low117 Ų11784.9 Ų84.972%0.71850%0.504SS*.SBendtrans-97.73.4-168.254.90000115.6
80A40.7Very low50.6Low62 Ų6284.7 Ų84.751%0.51250%0.503SS..SBendtrans-99.1107.217800000111.6R89A80-R89 PolarHBondContact O-NH2 3.48Å
81D39.5Very low51.6Low135 Ų13582.5 Ų82.572%0.72249%0.487SS*.  trans51.1118.1159.4-59.3-21000120.9D83D81-D83 VanDerWaalsContact C-N 3.29Å
82S38Very low52.8Low120 Ų12077.9 Ų77.984%0.83945%0.454SS*.SBendtrans-80.910.3168.546.80000114.3
83D40.4Very low54Low145 Ų14577.4 Ų77.478%0.77545%0.45SS*.  trans-127.179-174.2-88.1-23.5000112.7D81D81-D83 VanDerWaalsContact C-N 3.29Å
84S39.1Very low55Low96 Ų9679.1 Ų79.167%0.67145%0.448SS*.SBendtrans-176.7130143.8450000110
85G44.8Very low56Low64 Ų6483.1 Ų83.166%0.6646%0.461SS*.SBendtrans-58153.4-160.500000118.2R87G85-R87 PolarHBondContact O-N 3.48Å
86L49.6Very low57.4Low172 Ų17273.2 Ų73.290%0.90142%0.424SS*.SBendtrans37.551.2158.1-79.6149.5000115.9
87R60.4Low58.8Low120 Ų12069.1 Ų69.145%0.45339%0.394SS..  trans-113.8114.9168.2-74.8-177.9178.61675.1110.3Q4 G85Q4-R87 HydrophobicContact CB-CG 4.33Å; Q4-R87 WeakPolarHBondContact O-CA 3.4Å; G85-R87 PolarHBondContact O-N 3.48Å
88V68.3Low60Low13 Ų1371.4 Ų71.48%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-74.7136.7176.5169.70000108.8Q4 I5 Q6 D28 V32 F90Q4-V88 PolarHBondContact O-N 3Å; Q4-V88 VanDerWaalsContact O-N 3.15Å; I5-V88 VanDerWaalsContact CA-O 3.24Å; I5-V88 WeakPolarHBondContact CA-O 3.46Å; I5-V88 HydrophobicContact CD1-CB 4.18Å; I5-V88 HydrophobicContact CD1-CG1 3.98Å; I5-V88 HydrophobicContact CG1-CB 4.1Å; I5-V88 HydrophobicContact CG1-CG1 4.42Å; I5-V88 WeakPolarHBondContact CG2-O 3.45Å; Q6-V88 PolarHBondContact N-O 2.89Å; D28-V88 HydrophobicContact CB-CG1 4.14Å; V32-V88 HydrophobicContact CG2-CG2 3.37Å; V88-F90 HydrophobicContact CG1-CD1 3.92Å; V88-F90 HydrophobicContact CG1-CE1 3.66Å
89R72.8Confident61Low81 Ų8169.3 Ų69.331%0.30639%0.386SS..EExtended strand (participates in β ladder)trans-101.7124.8-178.3-65.3-178.4-170.3-178.50.4110.4A80A80-R89 PolarHBondContact O-NH2 3.48Å
90F79.7Confident62.4Low0 Ų066.2 Ų66.20%036%0.361CS..EExtended strand (participates in β ladder)trans-111139.3176-85.18.5000109.9I5 Q6 L7 S8 V22 A24 V61 V88 V111I5-F90 HydrophobicContact CD1-CD1 4.06Å; I5-F90 HydrophobicContact CD1-CD2 3.75Å; I5-F90 HydrophobicContact CD1-CE1 3.69Å; I5-F90 HydrophobicContact CD1-CE2 3.37Å; I5-F90 HydrophobicContact CD1-CG 4.09Å; I5-F90 HydrophobicContact CD1-CZ 3.32Å; I5-F90 HydrophobicContact CG2-CB 3.7Å; I5-F90 HydrophobicContact CG2-CD1 4.14Å; I5-F90 HydrophobicContact CG2-CD2 3.68Å; I5-F90 HydrophobicContact CG2-CE2 4.35Å; I5-F90 HydrophobicContact CG2-CG 3.56Å; Q6-F90 PolarHBondContact O-N 3.23Å; L7-F90 CarbonylContact C-O 3.59Å; L7-F90 WeakPolarHBondContact CA-O 3.3Å; L7-F90 HydrophobicContact CD2-CB 3.63Å; S8-F90 PolarHBondContact N-O 2.93Å; S8-F90 PolarHBondContact OG-O 3.42Å; S8-F90 VanDerWaalsContact OG-O 3.13Å; V22-F90 HydrophobicContact CG1-CB 3.48Å; V22-F90 VanDerWaalsContact CG1-CB 3.48Å; V22-F90 HydrophobicContact CG1-CD1 4.42Å; V22-F90 HydrophobicContact CG1-CD2 3.7Å; V22-F90 HydrophobicContact CG1-CG 3.62Å; A24-F90 HydrophobicContact CB-CD1 3.71Å; A24-F90 HydrophobicContact CB-CE1 3.63Å; V61-F90 HydrophobicContact CG1-CE1 4.35Å; V61-F90 HydrophobicContact CG1-CZ 4.34Å; V61-F90 HydrophobicContact CG2-CE2 4.08Å; V61-F90 HydrophobicContact CG2-CZ 3.98Å; V88-F90 HydrophobicContact CG1-CD1 3.92Å; V88-F90 HydrophobicContact CG1-CE1 3.66Å; F90-V111 HydrophobicContact CE2-CG2 3.93Å; F90-V111 HydrophobicContact CZ-CG1 4.47Å
91F78.3Confident63.3Low9 Ų970.6 Ų70.64%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-112.1122.7-179.8-56.9-88.7000110.2S8 L10 V22 L23 L25 I69S8-F91 WeakPolarHBondContact O-CA 3.46Å; S8-F91 WeakPolarHBondContact OG-CD1 3.41Å; S8-F91 VanDerWaalsContact OG-CE1 3.29Å; S8-F91 WeakPolarHBondContact OG-CE1 3.43Å; L10-F91 HydrophobicContact CD1-CB 3.58Å; L10-F91 HydrophobicContact CD1-CD1 4.45Å; L10-F91 HydrophobicContact CD1-CG 4.25Å; L10-F91 HydrophobicContact CD2-CD1 4.34Å; L10-F91 HydrophobicContact CG-CB 3.99Å; L10-F91 HydrophobicContact CG-CD1 4.21Å; L10-F91 HydrophobicContact CG-CG 4.47Å; V22-F91 WeakPolarHBondContact CG1-O 3.37Å; L23-F91 HydrophobicContact CB-CB 4.23Å; L23-F91 PolarHBondContact N-O 3.21Å; L23-F91 PolarHBondContact O-N 3.4Å; L25-F91 HydrophobicContact CG-CE2 4.28Å; I69-F91 HydrophobicContact CD1-CD2 4.12Å; I69-F91 HydrophobicContact CD1-CE2 3.78Å; I69-F91 HydrophobicContact CD1-CZ 4.22Å; I69-F91 HydrophobicContact CG2-CE1 4.26Å; I69-F91 HydrophobicContact CG2-CZ 4.37Å
92A80.3Confident64.6Low0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-121.5158-177.900000111.9L7 S8 L10 V22 F96L7-A92 HydrophobicContact CD2-CB 4.4Å; S8-A92 PolarHBondContact O-N 3.08Å; L10-A92 PolarHBondContact N-O 3.11Å; L10-A92 VanDerWaalsContact N-O 3.07Å; V22-A92 HydrophobicContact CG2-CB 4.24Å; A92-F96 HydrophobicContact CB-CB 4.3Å; A92-F96 HydrophobicContact CB-CD1 3.59Å; A92-F96 HydrophobicContact CB-CE1 4.18Å; A92-F96 HydrophobicContact CB-CG 4.09Å
93S79.1Confident65.6Low5 Ų566.7 Ų66.74%0.03533%0.327CS..EExtended strand (participates in β ladder)trans-71157.7176.682.90000112.4P19 Y95 F96 L97P19-S93 WeakPolarHBondContact O-CB 3.31Å; P19-S93 PolarHBondContact O-OG 3.48Å; S93-Y95 PolarHBondContact O-N 3.36Å; S93-Y95 PolarHBondContact OG-N 3.16Å; S93-F96 PolarHBondContact O-N 3.15Å; S93-F96 PolarHBondContact OG-N 3.07Å; S93-L97 PolarHBondContact O-N 3.5Å
94Q73.2Confident66.2Low76 Ų7668.2 Ų68.236%0.35532%0.322SS..Hα-helixtrans-61.6-29.4171.4-171-173.8-0.500112.2K98Q94-K98 HydrophobicContact CG-CD 4.35Å; Q94-K98 WeakPolarHBondContact O-CG 3.36Å; Q94-K98 PolarHBondContact O-N 3.32Å
95Y72.4Confident66.6Low89 Ų8968.1 Ų68.135%0.34932%0.321SS..Hα-helixtrans-66.9-47.2177.1-176.9-94.5000111P19 L20 S93 L97 K98 H99 L163 L182P19-Y95 HydrophobicContact CB-CD1 4.47Å; L20-Y95 HydrophobicContact CD2-CD1 4.25Å; L20-Y95 HydrophobicContact CD2-CE1 4.15Å; S93-Y95 PolarHBondContact O-N 3.36Å; S93-Y95 PolarHBondContact OG-N 3.16Å; Y95-L97 PolarHBondContact O-N 2.98Å; Y95-K98 PolarHBondContact O-N 3Å; Y95-H99 WeakPolarHBondContact O-CB 3.47Å; Y95-H99 PolarHBondContact O-N 3.25Å; Y95-L163 HydrophobicContact CE1-CD1 3.97Å; Y95-L182 HydrophobicContact CE2-CD2 4.14Å; Y95-L182 WeakPolarHBondContact OH-CD2 3.41Å
96F72.8Confident66.9Low0 Ų068.6 Ų68.60%031%0.314CS..Hα-helixtrans-54.5-49.7176.6178.1-91.9000112.4L7 L20 L59 A92 S93 K98 H99 Y100 I102L7-F96 HydrophobicContact CD1-CE1 4.43Å; L20-F96 HydrophobicContact CD2-CD2 4.29Å; L20-F96 WeakPolarHBondContact O-CD2 3.49Å; L59-F96 HydrophobicContact CD1-CZ 4.31Å; L59-F96 HydrophobicContact CD2-CE2 3.49Å; L59-F96 VanDerWaalsContact CD2-CE2 3.49Å; L59-F96 HydrophobicContact CD2-CZ 3.81Å; A92-F96 HydrophobicContact CB-CB 4.3Å; A92-F96 HydrophobicContact CB-CD1 3.59Å; A92-F96 HydrophobicContact CB-CE1 4.18Å; A92-F96 HydrophobicContact CB-CG 4.09Å; S93-F96 PolarHBondContact O-N 3.15Å; S93-F96 PolarHBondContact OG-N 3.07Å; F96-K98 VanDerWaalsContact C-N 3.34Å; F96-K98 PolarHBondContact O-N 2.95Å; F96-H99 PolarHBondContact O-N 3.21Å; F96-Y100 HydrophobicContact CD1-CD2 4.39Å; F96-Y100 AromaticContact CD2-CD2 3.71Å; F96-Y100 HydrophobicContact CD2-CD2 3.71Å; F96-Y100 AromaticContact CD2-CE2 3.57Å; F96-Y100 HydrophobicContact CD2-CE2 3.57Å; F96-Y100 HydrophobicContact CE1-CD2 4.22Å; F96-Y100 AromaticContact CE2-CD2 3.51Å; F96-Y100 HydrophobicContact CE2-CD2 3.51Å; F96-Y100 AromaticContact CE2-CE2 3.29Å; F96-Y100 HydrophobicContact CE2-CE2 3.29Å; F96-Y100 HydrophobicContact CG-CD2 4.15Å; F96-Y100 HydrophobicContact CG-CE2 4.43Å; F96-Y100 AromaticContact CZ-CD2 3.78Å; F96-Y100 HydrophobicContact CZ-CD2 3.78Å; F96-Y100 AromaticContact CZ-CE2 3.98Å; F96-Y100 HydrophobicContact CZ-CE2 3.98Å; F96-Y100 WeakPolarHBondContact O-CD2 3.29Å; F96-Y100 PolarHBondContact O-N 3.35Å; F96-Y100 VanDerWaalsContact O-N 3.07Å; F96-I102 HydrophobicContact CE1-CD1 4.1Å
97L72.4Confident67.4Low13 Ų1361.8 Ų61.87%0.06828%0.281CS..Hα-helixtrans-64.8-37.2-179.3-67.6174.6000112.5C9 S93 Y95 R101 I102C9-L97 HydrophobicContact CB-CD1 3.55Å; S93-L97 PolarHBondContact O-N 3.5Å; Y95-L97 PolarHBondContact O-N 2.98Å; L97-R101 CarbonylContact O-C 3.38Å; L97-R101 WeakPolarHBondContact O-CA 3.42Å; L97-R101 PolarHBondContact O-N 3.42Å; L97-R101 VanDerWaalsContact O-N 3.15Å; L97-I102 HydrophobicContact CD2-CB 3.78Å; L97-I102 HydrophobicContact CD2-CG2 3.76Å; L97-I102 PolarHBondContact O-N 3Å
98K69.4Low67.6Low107 Ų10757.7 Ų57.747%0.46527%0.272SS..Hα-helixtrans-69.3-44.1175.7-78.5172.8168.61790111.6Q94 Y95 F96 R101 L219Q94-K98 HydrophobicContact CG-CD 4.35Å; Q94-K98 WeakPolarHBondContact O-CG 3.36Å; Q94-K98 PolarHBondContact O-N 3.32Å; Y95-K98 PolarHBondContact O-N 3Å; F96-K98 VanDerWaalsContact C-N 3.34Å; F96-K98 PolarHBondContact O-N 2.95Å; K98-R101 PolarHBondContact O-N 3.02Å; K98-L219 HydrophobicContact CB-CD1 4.33Å; K98-L219 HydrophobicContact CD-CD1 3.85Å; K98-L219 HydrophobicContact CG-CD1 4.18Å
99H69.7Low67.8Low32 Ų3257 Ų5715%0.14827%0.269CS..Hα-helixtrans-59.8-51.5-178.7-171.6-89000111.4Y95 F96 R101 D160Y95-H99 WeakPolarHBondContact O-CB 3.47Å; Y95-H99 PolarHBondContact O-N 3.25Å; F96-H99 PolarHBondContact O-N 3.21Å; H99-R101 VanDerWaalsContact C-N 3.25Å; H99-R101 PolarHBondContact O-N 3Å; H99-D160 IonicContact CE1-OD1 2.86Å; H99-D160 PolarHBondContact CE1-OD1 3.46Å; H99-D160 IonicContact ND1-OD1 3.69Å
100Y68.7Low67.8Low52 Ų5254.9 Ų54.920%0.20426%0.264CS..THydrogen-bonded Turntrans-84.58.9177.7-63.6-68.9000114.1L20 I57 F96 I102 R157 D160L20-Y100 HydrophobicContact CD2-CE2 4.12Å; I57-Y100 HydrophobicContact CD1-CD1 3.79Å; I57-Y100 HydrophobicContact CD1-CE1 4.01Å; I57-Y100 HydrophobicContact CD1-CG 4.1Å; I57-Y100 HydrophobicContact CG1-CE1 4.49Å; I57-Y100 HydrophobicContact CG2-CE1 4.48Å; I57-Y100 HydrophobicContact CG2-CE2 4.42Å; F96-Y100 HydrophobicContact CD1-CD2 4.39Å; F96-Y100 AromaticContact CD2-CD2 3.71Å; F96-Y100 HydrophobicContact CD2-CD2 3.71Å; F96-Y100 AromaticContact CD2-CE2 3.57Å; F96-Y100 HydrophobicContact CD2-CE2 3.57Å; F96-Y100 HydrophobicContact CE1-CD2 4.22Å; F96-Y100 AromaticContact CE2-CD2 3.51Å; F96-Y100 HydrophobicContact CE2-CD2 3.51Å; F96-Y100 AromaticContact CE2-CE2 3.29Å; F96-Y100 HydrophobicContact CE2-CE2 3.29Å; F96-Y100 HydrophobicContact CG-CD2 4.15Å; F96-Y100 HydrophobicContact CG-CE2 4.43Å; F96-Y100 AromaticContact CZ-CD2 3.78Å; F96-Y100 HydrophobicContact CZ-CD2 3.78Å; F96-Y100 AromaticContact CZ-CE2 3.98Å; F96-Y100 HydrophobicContact CZ-CE2 3.98Å; F96-Y100 WeakPolarHBondContact O-CD2 3.29Å; F96-Y100 PolarHBondContact O-N 3.35Å; F96-Y100 VanDerWaalsContact O-N 3.07Å; Y100-I102 PolarHBondContact O-N 3.47Å; Y100-I102 VanDerWaalsContact O-N 3.14Å; Y100-R157 PolarHBondContact OH-NH1 3.27Å; Y100-R157 VanDerWaalsContact OH-NH1 3.09Å; Y100-D160 PolarHBondContact OH-OD2 3.49Å
101R60.3Low67.4Low154 Ų15454.9 Ų54.958%0.58126%0.264SS*.THydrogen-bonded Turntrans52.631.3-179.7-58.1-177.9178.1170.80.5114.4L97 K98 H99L97-R101 CarbonylContact O-C 3.38Å; L97-R101 WeakPolarHBondContact O-CA 3.42Å; L97-R101 PolarHBondContact O-N 3.42Å; L97-R101 VanDerWaalsContact O-N 3.15Å; K98-R101 PolarHBondContact O-N 3.02Å; H99-R101 VanDerWaalsContact C-N 3.25Å; H99-R101 PolarHBondContact O-N 3Å
102I66.4Low67Low28 Ų2860 Ų6014%0.14428%0.284CS..  trans-80.9126.9179-58175.2000109L7 F96 L97 Y100 C107L7-I102 HydrophobicContact CD1-CD1 4.4Å; F96-I102 HydrophobicContact CE1-CD1 4.1Å; L97-I102 HydrophobicContact CD2-CB 3.78Å; L97-I102 HydrophobicContact CD2-CG2 3.76Å; L97-I102 PolarHBondContact O-N 3Å; Y100-I102 PolarHBondContact O-N 3.47Å; Y100-I102 VanDerWaalsContact O-N 3.14Å; I102-C107 HydrophobicContact CG2-CB 3.55Å
103K59.4Low66.6Low144 Ų14463.2 Ų63.263%0.62630%0.304SS*.  trans-67.5142.7179.1-67.3-172.4179.8-1740111.3S105K103-S105 PolarHBondContact O-N 3.48Å
104R54Low66.1Low177 Ų17763.8 Ų63.867%0.66831%0.307SS*.SBendtrans-60.4-24.2-179.7-72.9178.9168.8178.6-11.5114.9S106R104-S106 PolarHBondContact O-N 2.86Å
105S46Very low65.9Low95 Ų9567.3 Ų67.366%0.66432%0.323SS*.SBendtrans-88.891.8-17859.70000110.6K103K103-S105 PolarHBondContact O-N 3.48Å
106S52Low65.8Low74 Ų7463.6 Ų63.652%0.51731%0.31SS..  trans51.384.8164.3179.50000115.3Q6 R104Q6-S106 PolarHBondContact NE2-OG 2.92Å; R104-S106 PolarHBondContact O-N 2.86Å
107C60.5Low65.8Low28 Ų2863.9 Ų63.919%0.18931%0.312CS..EExtended strand (participates in β ladder)trans-90.2117.3168-1680000109.5L7 I102L7-C107 HydrophobicContact CB-CB 4.45Å; L7-C107 PolarHBondContact N-O 3.42Å; I102-C107 HydrophobicContact CG2-CB 3.55Å
108A64.1Low66Low34 Ų3465 Ų6528%0.28132%0.321SS..EExtended strand (participates in β ladder)trans-94.1132.4169.900000110.1I5 N47I5-A108 CarbonylContact O-C 3.49Å; I5-A108 VanDerWaalsContact O-CA 3.25Å; I5-A108 WeakPolarHBondContact O-CA 3.24Å; N47-A108 WeakPolarHBondContact CB-O 3.33Å; N47-A108 PolarHBondContact N-O 3.33Å; N47-A108 PolarHBondContact ND2-O 3.24Å
109G71.4Confident66.5Low0 Ų060 Ų600%030%0.299CS..EExtended strand (participates in β ladder)trans-140.7173.4177.500000112.2Q4 I5 T45Q4-G109 WeakPolarHBondContact CA-O 3.5Å; I5-G109 PolarHBondContact N-O 3.13Å; I5-G109 PolarHBondContact O-N 3.42Å; T45-G109 CarbonylContact O-C 3.56Å; T45-G109 WeakPolarHBondContact O-CA 3.45Å
110T73Confident66.9Low35 Ų3562.1 Ų62.122%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-106.1144.5170.352.10000110.6A3 Q4 T45A3-T110 CarbonylContact O-C 3.55Å; A3-T110 VanDerWaalsContact O-CA 3.3Å; A3-T110 WeakPolarHBondContact O-CA 3.17Å; Q4-T110 HydrophobicContact CG-CG2 4.46Å; T45-T110 PolarHBondContact N-O 3.47Å; T45-T110 PolarHBondContact O-N 3.13Å; T45-T110 PolarHBondContact OG1-O 3.44Å; T45-T110 VanDerWaalsContact OG1-O 3.09Å; T45-T110 PolarHBondContact OG1-OG1 2.94Å
111V71.1Confident67.4Low0 Ų064.7 Ų64.70%032%0.321CS..EExtended strand (participates in β ladder)trans-125.9137.5-178.7132.90000110.6A2 A3 I5 F33 V42 L43 F44 F90A2-V111 CarbonylContact C-O 3.55Å; A2-V111 VanDerWaalsContact CA-O 3.27Å; A2-V111 WeakPolarHBondContact CA-O 3.44Å; A3-V111 PolarHBondContact N-O 3.23Å; A3-V111 PolarHBondContact O-N 2.68Å; I5-V111 HydrophobicContact CD1-CB 3.35Å; I5-V111 HydrophobicContact CD1-CG1 3.5Å; I5-V111 VanDerWaalsContact CD1-CG1 3.5Å; I5-V111 HydrophobicContact CD1-CG2 3.49Å; I5-V111 VanDerWaalsContact CD1-CG2 3.49Å; I5-V111 HydrophobicContact CG1-CB 3.84Å; I5-V111 HydrophobicContact CG1-CG1 4.36Å; I5-V111 HydrophobicContact CG1-CG2 4.12Å; F33-V111 HydrophobicContact CZ-CG1 4.12Å; V42-V111 HydrophobicContact CG1-CB 3.72Å; V42-V111 HydrophobicContact CG1-CG1 3.14Å; V42-V111 HydrophobicContact CG1-CG2 3.46Å; V42-V111 VanDerWaalsContact CG1-CG2 3.46Å; L43-V111 WeakPolarHBondContact O-CA 3.43Å; F44-V111 HydrophobicContact CB-CG2 4.07Å; F44-V111 HydrophobicContact CD2-CG2 3.88Å; F44-V111 HydrophobicContact CG-CG2 4.48Å; F90-V111 HydrophobicContact CE2-CG2 3.93Å; F90-V111 HydrophobicContact CZ-CG1 4.47Å
112R71.5Confident68.5Low118 Ų11857.4 Ų57.445%0.44529%0.293SS..EExtended strand (participates in β ladder)trans-129.2130.9175-64.2-179-178.6-168.3-2.9109.7A2 V42 L43 L114A2-R112 HydrophobicContact CB-CG 3.8Å; V42-R112 WeakPolarHBondContact CA-O 3.47Å; L43-R112 PolarHBondContact N-O 3.43Å; L43-R112 PolarHBondContact O-N 3.37Å; L43-R112 VanDerWaalsContact O-N 3.07Å; R112-L114 PolarHBondContact O-N 3.45Å
113P70.6Confident69.2Low66 Ų6656.4 Ų56.443%0.42929%0.288SS..EExtended strand (participates in β ladder)trans-58.7135.5167.220.2-26.5000109.3F33F33-P113 HydrophobicContact CD1-CB 3.89Å; F33-P113 HydrophobicContact CD1-CG 4.21Å; F33-P113 HydrophobicContact CE1-CB 3.67Å; F33-P113 HydrophobicContact CE1-CG 4.01Å
114L70.1Confident70.3Confident17 Ų1749.5 Ų49.59%0.08926%0.258CS..  trans-147.3126.9179.5176.360000109.9I41 L43 L58 R112 P116 D750I41-L114 PolarHBondContact O-N 3.49Å; L43-L114 HydrophobicContact CB-CB 4.32Å; L43-L114 HydrophobicContact CB-CD2 4.19Å; L43-L114 HydrophobicContact CD1-CD2 4.2Å; L58-L114 HydrophobicContact CD2-CB 4.4Å; L58-L114 HydrophobicContact CD2-CD2 3.66Å; L58-L114 HydrophobicContact CD2-CG 4.18Å; R112-L114 PolarHBondContact O-N 3.45Å; L114-P116 WeakPolarHBondContact O-CD 3.23Å; L114-D750 HydrophobicContact CD1-CB 3.41Å; L114-D750 VanDerWaalsContact CD1-CB 3.41Å; L114-D750 VanDerWaalsContact CD1-CG 3.45Å
115E68.1Low71.7Confident150 Ų15041.1 Ų41.170%0.70123%0.227SC*.PPolyproline II helixtrans-75.8119169-70.3-173.7-179.800110R746E115-R746 PolarHBondContact O-NH1 2.89Å
116P69.4Low73.4Confident12 Ų1236.6 Ų36.68%0.07820%0.195CC..PPolyproline II helixtrans-66.6152.3-177.630.8-38.6000111.8I41 L58 L114 L155 R196 R746I41-P116 HydrophobicContact CD1-CG 3.55Å; I41-P116 HydrophobicContact CG2-CG 4.37Å; L58-P116 HydrophobicContact CD1-CB 4.38Å; L114-P116 WeakPolarHBondContact O-CD 3.23Å; P116-L155 HydrophobicContact CB-CD2 4.06Å; P116-L155 HydrophobicContact CG-CD2 4.33Å; P116-R196 HydrophobicContact CB-CB 4.24Å; P116-R196 HydrophobicContact CB-CG 4.31Å; P116-R196 HydrophobicContact CG-CB 4.01Å; P116-R196 HydrophobicContact CG-CG 4.08Å; P116-R746 PolarHBondContact O-NH1 2.67Å
117V74.4Confident74.7Confident6 Ų638 Ų384%0.03619%0.189CC..PPolyproline II helixtrans-78.5136.7173.1178.30000109V192 G195 R196 L751V117-V192 HydrophobicContact CB-CG2 3.92Å; V117-V192 HydrophobicContact CG1-CG2 4.08Å; V117-G195 CarbonylContact O-C 3.58Å; V117-G195 VanDerWaalsContact O-CA 3.24Å; V117-G195 WeakPolarHBondContact O-CA 3.41Å; V117-R196 WeakPolarHBondContact O-CG 3.31Å; V117-R196 PolarHBondContact O-N 3.44Å; V117-L751 HydrophobicContact CG2-CD2 3.76Å
118S76.3Confident75.6Confident36 Ų3638.3 Ų38.325%0.25219%0.191SC..BIsolated β-bridgetrans-70.9128.8171.246.80000110.4
119L80.1Confident76.2Confident1 Ų145.6 Ų45.61%0.00521%0.211CC..PPolyproline II helixtrans-77147.8176.2-60.9174.2000109.8V122 A156 C189 V192 R196 T201L119-V122 HydrophobicContact CB-CG2 4.01Å; L119-V122 HydrophobicContact CD1-CG2 3.58Å; L119-V122 HydrophobicContact CG-CG2 4.41Å; L119-A156 HydrophobicContact CD1-CB 3.84Å; L119-C189 HydrophobicContact CD1-CB 4.06Å; L119-C189 HydrophobicContact CD2-CB 3.95Å; L119-V192 HydrophobicContact CD2-CG2 3.73Å; L119-R196 PolarHBondContact N-O 2.91Å; L119-T201 HydrophobicContact CB-CG2 4.09Å; L119-T201 WeakPolarHBondContact O-CG2 3.39Å
120D76.9Confident76.5Confident77 Ų7752 Ų5241%0.41224%0.242SC..SBendtrans-96-34.4172.9-63.2-33000110.1S190 S202D120-S190 PolarHBondContact N-O 3.48Å; D120-S202 PolarHBondContact O-N 2.84Å; D120-S202 PolarHBondContact O-OG 3.44Å
121R80.6Confident76.8Confident107 Ų10750.4 Ų50.440%0.40423%0.231SC..EExtended strand (participates in β ladder)trans-145.5135.1-176.9-175.4177.7179.1-166.4-0.4111.4S190 S202 V204R121-S190 PolarHBondContact N-O 2.52Å; R121-S190 PolarHBondContact O-N 3.14Å; R121-S202 CarbonylContact C-O 3.28Å; R121-S202 VanDerWaalsContact CA-O 3.29Å; R121-S202 WeakPolarHBondContact CA-O 3.36Å; R121-S202 WeakPolarHBondContact CA-OG 3.03Å; R121-S202 VanDerWaalsContact CB-OG 3.29Å; R121-S202 WeakPolarHBondContact CB-OG 3.39Å; R121-S202 WeakPolarHBondContact CG-OG 3.44Å; R121-V204 HydrophobicContact CG-CG2 4.43Å
122V82.9Confident77.2Confident0 Ų052.4 Ų52.40%024%0.242CC..EExtended strand (participates in β ladder)trans-129.5128.5173.4-174.90000109.4L119 L124 A156 V186 E188 I197 S202 L203 V204L119-V122 HydrophobicContact CB-CG2 4.01Å; L119-V122 HydrophobicContact CD1-CG2 3.58Å; L119-V122 HydrophobicContact CG-CG2 4.41Å; V122-L124 HydrophobicContact CG1-CD2 4.05Å; V122-L124 HydrophobicContact CG1-CG 4.39Å; V122-A156 HydrophobicContact CG1-CB 4.41Å; V122-V186 HydrophobicContact CG1-CG1 3.86Å; V122-E188 WeakPolarHBondContact CA-O 3.32Å; V122-I197 HydrophobicContact CG2-CG1 4.44Å; V122-S202 PolarHBondContact N-O 2.68Å; V122-L203 HydrophobicContact CB-CD2 3.81Å; V122-L203 HydrophobicContact CG1-CD2 4.48Å; V122-L203 HydrophobicContact CG2-CD2 4.37Å; V122-L203 WeakPolarHBondContact O-CA 3.5Å; V122-V204 PolarHBondContact O-N 2.67Å
123V81.1Confident77.6Confident7 Ų756.5 Ų56.54%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-101.5120.2175.7-173.20000108.9L187 E188 V204 T206V123-L187 HydrophobicContact CB-CB 4.39Å; V123-L187 HydrophobicContact CG1-CB 4.3Å; V123-L187 HydrophobicContact CG1-CD1 4.32Å; V123-L187 PolarHBondContact O-N 3.36Å; V123-E188 HydrophobicContact CB-CB 4.03Å; V123-E188 HydrophobicContact CG2-CB 4.01Å; V123-E188 PolarHBondContact N-O 3.29Å; V123-E188 PolarHBondContact O-N 2.91Å; V123-V204 CarbonylContact C-O 3.45Å; V123-V204 VanDerWaalsContact CA-O 3.31Å; V123-V204 WeakPolarHBondContact CA-O 3.47Å; V123-V204 HydrophobicContact CG2-CB 4.31Å; V123-T206 HydrophobicContact CG1-CG2 4Å
124L83Confident78.2Confident0 Ų055.3 Ų55.30%025%0.245CC..EExtended strand (participates in β ladder)trans-107122.5-179.9-64.7178.7000109.9V122 F140 L162 V186 V204 L205 T206V122-L124 HydrophobicContact CG1-CD2 4.05Å; V122-L124 HydrophobicContact CG1-CG 4.39Å; L124-F140 HydrophobicContact CD1-CE1 4.3Å; L124-F140 HydrophobicContact CD1-CZ 4.26Å; L124-L162 HydrophobicContact CD1-CD2 4Å; L124-L162 HydrophobicContact CD2-CB 4.36Å; L124-L162 HydrophobicContact CD2-CD2 4.16Å; L124-V186 HydrophobicContact CD2-CB 4.38Å; L124-V186 HydrophobicContact CD2-CG2 3.72Å; L124-V204 PolarHBondContact N-O 3.22Å; L124-L205 HydrophobicContact CB-CD2 3.72Å; L124-L205 HydrophobicContact CD1-CD2 4.12Å; L124-L205 WeakPolarHBondContact O-CA 3.49Å; L124-T206 PolarHBondContact O-N 3.37Å; L124-T206 PolarHBondContact O-OG1 3.26Å
125G82.4Confident78.6Confident0 Ų054.5 Ų54.50%024%0.24CC..EExtended strand (participates in β ladder)trans-96.5119.3174.900000111.4L185 T206G125-L185 PolarHBondContact N-O 3.3Å; G125-L185 PolarHBondContact O-N 2.88Å; G125-T206 WeakPolarHBondContact CA-O 3.45Å
126A81.1Confident79.2Confident0 Ų050 Ų500%024%0.235CC..EExtended strand (participates in β ladder)trans-89.7127.517400000111L132 L184 T206 Y208A126-L132 HydrophobicContact CB-CB 3.75Å; A126-L132 HydrophobicContact CB-CD1 3.9Å; A126-L132 HydrophobicContact CB-CG 4.48Å; A126-L184 HydrophobicContact CB-CD2 3.85Å; A126-T206 PolarHBondContact N-O 3.35Å; A126-T206 VanDerWaalsContact N-O 3.11Å; A126-Y208 WeakPolarHBondContact O-CB 3.33Å; A126-Y208 PolarHBondContact O-N 3.08Å
127R79.2Confident79.7Confident105 Ų10550.7 Ų50.740%0.39624%0.244SC..SBendtrans-75.2-26.3176.4-71.2-177.9173.4-179.61113.7E183 Y208R127-E183 HydrophobicContact CB-CB 4.32Å; R127-E183 PolarHBondContact N-O 3.01Å; R127-Y208 HydrophobicContact CG-CD1 4.35Å; R127-Y208 HydrophobicContact CG-CG 4.5Å
128S79.9Confident79.9Confident33 Ų3358.6 Ų58.623%0.23128%0.28CS..SBendtrans-120.5147178.6-179.10000111.1Q130 S131 L132 E183S128-Q130 PolarHBondContact O-N 2.94Å; S128-Q130 PolarHBondContact OG-N 3.48Å; S128-S131 WeakPolarHBondContact CB-OG 3.36Å; S128-S131 PolarHBondContact N-OG 2.98Å; S128-S131 PolarHBondContact O-N 3.3Å; S128-S131 PolarHBondContact O-OG 3.25Å; S128-L132 PolarHBondContact O-N 3.4Å; S128-E183 WeakPolarHBondContact CB-OE2 3.33Å
129R76.4Confident80Confident187 Ų18763 Ų6371%0.70630%0.296SS*.Hα-helixtrans-60.5-25.9171.5-71.3-177.5173176.7-1.4112.2R133R129-R133 WeakPolarHBondContact O-CG 3.04Å; R129-R133 PolarHBondContact O-N 3.39Å
130Q78.6Confident80Confident136 Ų13663 Ų6364%0.63630%0.297SS*.Hα-helixtrans-72.9-44.4177.1-66.9-179.5-9.400111.4S128 R133 W134S128-Q130 PolarHBondContact O-N 2.94Å; S128-Q130 PolarHBondContact OG-N 3.48Å; Q130-R133 PolarHBondContact O-N 3.32Å; Q130-W134 WeakPolarHBondContact O-CB 3.49Å; Q130-W134 PolarHBondContact O-N 2.85Å
131S79.2Confident80.1Confident0 Ų062.4 Ų62.40%030%0.296CS..Hα-helixtrans-66.7-35.1174.534.20000112.5S128 W134 A135 E183S128-S131 WeakPolarHBondContact CB-OG 3.36Å; S128-S131 PolarHBondContact N-OG 2.98Å; S128-S131 PolarHBondContact O-N 3.3Å; S128-S131 PolarHBondContact O-OG 3.25Å; S131-W134 PolarHBondContact O-N 3.49Å; S131-A135 VanDerWaalsContact O-CB 3.24Å; S131-A135 WeakPolarHBondContact O-CB 3.48Å; S131-A135 PolarHBondContact O-N 3.02Å; S131-E183 VanDerWaalsContact CB-OE2 3.25Å; S131-E183 WeakPolarHBondContact CB-OE2 3.36Å; S131-E183 PolarHBondContact OG-OE2 3.49Å
132L80.6Confident79.9Confident43 Ų4358.6 Ų58.623%0.22529%0.289CS..Hα-helixtrans-60.7-49173.2-172.283.2000111.9A126 S128 W134 A135 G136 L205 D207A126-L132 HydrophobicContact CB-CB 3.75Å; A126-L132 HydrophobicContact CB-CD1 3.9Å; A126-L132 HydrophobicContact CB-CG 4.48Å; S128-L132 PolarHBondContact O-N 3.4Å; L132-W134 VanDerWaalsContact C-N 3.31Å; L132-W134 PolarHBondContact O-N 3.47Å; L132-A135 PolarHBondContact O-N 3.12Å; L132-G136 PolarHBondContact O-N 3.35Å; L132-L205 HydrophobicContact CD1-CB 4.34Å; L132-D207 WeakPolarHBondContact CD2-OD1 3.45Å
133R78.6Confident79.6Confident204 Ų20458.6 Ų58.677%0.7729%0.289SS*.Hα-helixtrans-63.6-38.6179.5-75.5179.4-179.6-178.2-0.5112.2R129 Q130 G137R129-R133 WeakPolarHBondContact O-CG 3.04Å; R129-R133 PolarHBondContact O-N 3.39Å; Q130-R133 PolarHBondContact O-N 3.32Å; R133-G137 PolarHBondContact O-N 3.41Å
134W82.9Confident79.4Confident41 Ų4158.6 Ų58.616%0.15529%0.289CS..Hα-helixtrans-66.8-47.5176.2177.278.4000111.6Q130 S131 L132 G136 G137 F140 F170 V177 H180 L181 L184Q130-W134 WeakPolarHBondContact O-CB 3.49Å; Q130-W134 PolarHBondContact O-N 2.85Å; S131-W134 PolarHBondContact O-N 3.49Å; L132-W134 VanDerWaalsContact C-N 3.31Å; L132-W134 PolarHBondContact O-N 3.47Å; W134-G136 VanDerWaalsContact C-N 3.29Å; W134-G136 PolarHBondContact O-N 2.97Å; W134-G137 PolarHBondContact O-N 3.1Å; W134-F140 HydrophobicContact CE3-CD2 4.32Å; W134-F140 AromaticContact CH2-CD2 3.61Å; W134-F140 HydrophobicContact CH2-CD2 3.61Å; W134-F140 HydrophobicContact CH2-CE2 4.12Å; W134-F140 HydrophobicContact CZ2-CD2 4.34Å; W134-F140 AromaticContact CZ3-CD2 3.59Å; W134-F140 HydrophobicContact CZ3-CD2 3.59Å; W134-F140 AromaticContact CZ3-CE2 3.92Å; W134-F140 HydrophobicContact CZ3-CE2 3.92Å; W134-F140 HydrophobicContact CZ3-CG 4.47Å; W134-F170 HydrophobicContact CH2-CD1 4.27Å; W134-F170 HydrophobicContact CZ2-CB 4.21Å; W134-F170 HydrophobicContact CZ2-CD1 4.16Å; W134-V177 HydrophobicContact CH2-CG1 4.21Å; W134-V177 HydrophobicContact CZ2-CG1 3.97Å; W134-H180 HydrophobicContact CD2-CB 4.17Å; W134-H180 HydrophobicContact CE3-CB 3.8Å; W134-H180 HydrophobicContact CZ3-CB 4.08Å; W134-L181 HydrophobicContact CH2-CD2 3.85Å; W134-L181 HydrophobicContact CH2-CG 4.01Å; W134-L181 HydrophobicContact CZ3-CD2 3.99Å; W134-L181 HydrophobicContact CZ3-CG 4.29Å; W134-L184 HydrophobicContact CE3-CD1 4.35Å; W134-L184 HydrophobicContact CZ3-CD1 3.91Å
135A79.4Confident79.2Confident0 Ų062.4 Ų62.40%031%0.309CS..Hα-helixtrans-66.3-29.7178.300000113S131 L132 G137 F140 L184 L205S131-A135 VanDerWaalsContact O-CB 3.24Å; S131-A135 WeakPolarHBondContact O-CB 3.48Å; S131-A135 PolarHBondContact O-N 3.02Å; L132-A135 PolarHBondContact O-N 3.12Å; A135-G137 PolarHBondContact O-N 3.39Å; A135-F140 HydrophobicContact CB-CD1 4.23Å; A135-F140 HydrophobicContact CB-CE1 4.36Å; A135-F140 HydrophobicContact CB-CG 4.5Å; A135-F140 WeakPolarHBondContact O-CD1 3.45Å; A135-L184 HydrophobicContact CB-CD1 3.99Å; A135-L184 HydrophobicContact CB-CD2 3.93Å; A135-L205 HydrophobicContact CB-CD1 3.98Å; A135-L205 HydrophobicContact CB-CD2 3.7Å; A135-L205 WeakPolarHBondContact O-CD1 3.37Å
136G79.5Confident79Confident56 Ų5666.5 Ų66.558%0.57733%0.328SS*.THydrogen-bonded Turntrans-76.1-4.1172.900000114.5L132 W134L132-G136 PolarHBondContact O-N 3.35Å; W134-G136 VanDerWaalsContact C-N 3.29Å; W134-G136 PolarHBondContact O-N 2.97Å
137G80.6Confident78.7Confident26 Ų2666.6 Ų66.627%0.26833%0.329SS..SBendtrans-82.9153.1178.200000113.3R133 W134 A135 Q139 F140R133-G137 PolarHBondContact O-N 3.41Å; W134-G137 PolarHBondContact O-N 3.1Å; A135-G137 PolarHBondContact O-N 3.39Å; G137-Q139 PolarHBondContact O-N 2.74Å; G137-Q139 VanDerWaalsContact O-N 3.16Å; G137-F140 PolarHBondContact O-N 3.08Å
138E78.2Confident78.5Confident172 Ų17262.5 Ų62.580%0.80432%0.316SS*.Hα-helixtrans-61.7-22.6178.1-64.9-177.4170.900113.5T141 G142E138-T141 WeakPolarHBondContact CA-OG1 3.44Å; E138-T141 PolarHBondContact O-OG1 3.39Å; E138-G142 WeakPolarHBondContact O-CA 3.33Å; E138-G142 PolarHBondContact O-N 3.14Å
139Q78.5Confident78.2Confident127 Ų12768.2 Ų68.259%0.59334%0.339SS*.Hα-helixtrans-65.2-39177.2-66.6178.7-11.800112.1G137 G143G137-Q139 PolarHBondContact O-N 2.74Å; G137-Q139 VanDerWaalsContact O-N 3.16Å; Q139-G143 PolarHBondContact O-N 2.82Å
140F81.1Confident77.8Confident3 Ų364.7 Ų64.71%0.01333%0.334CS..Hα-helixtrans-74-45.3-180176.7-103.7000111.6L124 W134 A135 G137 G143 L144 L162 L164 F170 L181 L184L124-F140 HydrophobicContact CD1-CE1 4.3Å; L124-F140 HydrophobicContact CD1-CZ 4.26Å; W134-F140 HydrophobicContact CE3-CD2 4.32Å; W134-F140 AromaticContact CH2-CD2 3.61Å; W134-F140 HydrophobicContact CH2-CD2 3.61Å; W134-F140 HydrophobicContact CH2-CE2 4.12Å; W134-F140 HydrophobicContact CZ2-CD2 4.34Å; W134-F140 AromaticContact CZ3-CD2 3.59Å; W134-F140 HydrophobicContact CZ3-CD2 3.59Å; W134-F140 AromaticContact CZ3-CE2 3.92Å; W134-F140 HydrophobicContact CZ3-CE2 3.92Å; W134-F140 HydrophobicContact CZ3-CG 4.47Å; A135-F140 HydrophobicContact CB-CD1 4.23Å; A135-F140 HydrophobicContact CB-CE1 4.36Å; A135-F140 HydrophobicContact CB-CG 4.5Å; A135-F140 WeakPolarHBondContact O-CD1 3.45Å; G137-F140 PolarHBondContact O-N 3.08Å; F140-G143 PolarHBondContact O-N 3.1Å; F140-L144 HydrophobicContact CD1-CD1 4.02Å; F140-L144 HydrophobicContact CE1-CD1 3.45Å; F140-L144 VanDerWaalsContact CE1-CD1 3.45Å; F140-L144 HydrophobicContact CE2-CD1 4.13Å; F140-L144 HydrophobicContact CZ-CD1 3.52Å; F140-L144 HydrophobicContact CZ-CG 4.4Å; F140-L144 PolarHBondContact O-N 3.1Å; F140-L162 HydrophobicContact CZ-CD2 4.05Å; F140-L164 HydrophobicContact CE2-CD1 4.04Å; F140-F170 HydrophobicContact CD2-CD1 4.27Å; F140-F170 AromaticContact CD2-CE1 4Å; F140-F170 HydrophobicContact CD2-CE1 4Å; F140-L181 HydrophobicContact CE2-CD2 4.09Å; F140-L184 HydrophobicContact CE2-CD1 4.11Å; F140-L184 HydrophobicContact CZ-CD1 4.14Å
141T77.7Confident77.1Confident64 Ų6460.9 Ų60.939%0.39333%0.331SS..Hα-helixtrans-68.5-40.717853.90000111.8E138 L144 L145E138-T141 WeakPolarHBondContact CA-OG1 3.44Å; E138-T141 PolarHBondContact O-OG1 3.39Å; T141-L144 PolarHBondContact O-N 3.04Å; T141-L145 WeakPolarHBondContact O-CG 3.46Å; T141-L145 PolarHBondContact O-N 2.89Å
142G76.6Confident76.5Confident26 Ų2664.3 Ų64.327%0.26835%0.347SS..Hα-helixtrans-62.1-45.4173.400000112.5E138 L144 L145 E146E138-G142 WeakPolarHBondContact O-CA 3.33Å; E138-G142 PolarHBondContact O-N 3.14Å; G142-L144 PolarHBondContact O-N 2.71Å; G142-L145 PolarHBondContact O-N 3.42Å; G142-E146 PolarHBondContact O-N 2.88Å
143G76.4Confident76.1Confident0 Ų064.7 Ų64.70%035%0.347CS..Hα-helixtrans-61.1-41.7175.600000113.1Q139 F140 E146 L147Q139-G143 PolarHBondContact O-N 2.82Å; F140-G143 PolarHBondContact O-N 3.1Å; G143-E146 PolarHBondContact O-N 3.08Å; G143-L147 WeakPolarHBondContact O-CG 3.5Å; G143-L147 PolarHBondContact O-N 2.95Å; G143-L147 VanDerWaalsContact O-N 3.08Å
144L78.1Confident75.9Confident7 Ų755.5 Ų55.54%0.03731%0.314CS..Hα-helixtrans-65.3-40175-84.1172.2000113F140 T141 G142 L147 C148 P154 L164 L203F140-L144 HydrophobicContact CD1-CD1 4.02Å; F140-L144 HydrophobicContact CE1-CD1 3.45Å; F140-L144 VanDerWaalsContact CE1-CD1 3.45Å; F140-L144 HydrophobicContact CE2-CD1 4.13Å; F140-L144 HydrophobicContact CZ-CD1 3.52Å; F140-L144 HydrophobicContact CZ-CG 4.4Å; F140-L144 PolarHBondContact O-N 3.1Å; T141-L144 PolarHBondContact O-N 3.04Å; G142-L144 PolarHBondContact O-N 2.71Å; L144-L147 PolarHBondContact O-N 2.9Å; L144-C148 PolarHBondContact O-N 2.66Å; L144-C148 VanDerWaalsContact O-N 3.14Å; L144-C148 PolarHBondContact O-SG 2.99Å; L144-C148 VanDerWaalsContact O-SG 3.35Å; L144-P154 HydrophobicContact CD2-CG 4.08Å; L144-L164 HydrophobicContact CD2-CD1 3.5Å; L144-L164 HydrophobicContact CD2-CD2 3.73Å; L144-L164 HydrophobicContact CD2-CG 4.28Å; L144-L164 HydrophobicContact CG-CD1 4.01Å; L144-L203 HydrophobicContact CD1-CD1 3.6Å
145L79Confident75.7Confident80 Ų8055 Ų5542%0.41931%0.314SS..Hα-helixtrans-64.9-43.4176.6-75.5169.1000111.2T141 G142 C148 H149 A199T141-L145 WeakPolarHBondContact O-CG 3.46Å; T141-L145 PolarHBondContact O-N 2.89Å; G142-L145 PolarHBondContact O-N 3.42Å; L145-C148 WeakPolarHBondContact O-CB 3.35Å; L145-C148 PolarHBondContact O-N 2.74Å; L145-H149 PolarHBondContact O-N 2.76Å; L145-H149 PolarHBondContact O-ND1 3.27Å; L145-A199 HydrophobicContact CD2-CB 4.3Å
146E77.7Confident75.6Confident86 Ų8655 Ų5540%0.40232%0.315SS..Hα-helixtrans-63.9-39.9176.8-76.5-167.7-177.800112.8G142 G143 C148 H149 L150 H167 L169G142-E146 PolarHBondContact O-N 2.88Å; G143-E146 PolarHBondContact O-N 3.08Å; E146-C148 VanDerWaalsContact C-N 3.3Å; E146-C148 PolarHBondContact O-N 3.27Å; E146-H149 PolarHBondContact O-N 3.49Å; E146-H149 VanDerWaalsContact O-N 3.09Å; E146-L150 WeakPolarHBondContact O-CG 3.4Å; E146-L150 PolarHBondContact O-N 3.08Å; E146-H167 IonicContact OE2-CE1 3.49Å; E146-H167 PolarHBondContact OE2-CE1 3.34Å; E146-H167 IonicContact OE2-ND1 3.96Å; E146-H167 IonicContact OE2-NE2 2.76Å; E146-L169 HydrophobicContact CG-CD1 4.18Å; E146-L169 VanDerWaalsContact OE1-CD1 3.3Å; E146-L169 WeakPolarHBondContact OE1-CD1 3.47Å; E146-L169 WeakPolarHBondContact OE2-CD1 3.43Å
147L75.4Confident75.5Confident3 Ų353.1 Ų53.12%0.01629%0.29CS..Hα-helixtrans-58.4-42.1173.4-72.6177.9000112G143 L144 H149 L150 G151 Q152 L164 P165 F170G143-L147 WeakPolarHBondContact O-CG 3.5Å; G143-L147 PolarHBondContact O-N 2.95Å; G143-L147 VanDerWaalsContact O-N 3.08Å; L144-L147 PolarHBondContact O-N 2.9Å; L147-H149 PolarHBondContact O-N 3.17Å; L147-L150 PolarHBondContact O-N 3.44Å; L147-G151 PolarHBondContact O-N 3.44Å; L147-Q152 CarbonylContact O-C 3.52Å; L147-Q152 PolarHBondContact O-N 3.03Å; L147-Q152 VanDerWaalsContact O-N 3.1Å; L147-L164 HydrophobicContact CD1-CB 4.38Å; L147-L164 HydrophobicContact CD1-CD2 4.44Å; L147-P165 HydrophobicContact CD1-CG 4.12Å; L147-P165 HydrophobicContact CD2-CG 3.92Å; L147-F170 HydrophobicContact CD1-CE2 3.87Å; L147-F170 HydrophobicContact CD1-CZ 3.92Å; L147-F170 HydrophobicContact CG-CE2 4.49Å
148C75.1Confident75.3Confident19 Ų1955.6 Ų55.613%0.12830%0.295CS..Hα-helixtrans-63.3-38.1174-69.30000112.5L144 L145 E146 G151L144-C148 PolarHBondContact O-N 2.66Å; L144-C148 VanDerWaalsContact O-N 3.14Å; L144-C148 PolarHBondContact O-SG 2.99Å; L144-C148 VanDerWaalsContact O-SG 3.35Å; L145-C148 WeakPolarHBondContact O-CB 3.35Å; L145-C148 PolarHBondContact O-N 2.74Å; E146-C148 VanDerWaalsContact C-N 3.3Å; E146-C148 PolarHBondContact O-N 3.27Å; C148-G151 PolarHBondContact O-N 3.43Å
149H73.8Confident75Confident152 Ų15248.8 Ų48.870%0.70427%0.27SS*.Hα-helixtrans-70.4-30.7176.9-73.887.1000112.8L145 E146 L147 G151L145-H149 PolarHBondContact O-N 2.76Å; L145-H149 PolarHBondContact O-ND1 3.27Å; E146-H149 PolarHBondContact O-N 3.49Å; E146-H149 VanDerWaalsContact O-N 3.09Å; L147-H149 PolarHBondContact O-N 3.17Å; H149-G151 PolarHBondContact O-N 3.02Å
150L66.9Low74.9Confident114 Ų11443.5 Ų43.560%0.59725%0.246SC*.THydrogen-bonded Turntrans-75.50.1174.9-69.1169.8000113.1E146 L147 Q152E146-L150 WeakPolarHBondContact O-CG 3.4Å; E146-L150 PolarHBondContact O-N 3.08Å; L147-L150 PolarHBondContact O-N 3.44Å; L150-Q152 PolarHBondContact O-N 3.47Å
151G63.8Low74.6Confident56 Ų5644 Ų4458%0.57725%0.249SC*.THydrogen-bonded Turntrans73.710-178.300000114L147 C148 H149 E153L147-G151 PolarHBondContact O-N 3.44Å; C148-G151 PolarHBondContact O-N 3.43Å; H149-G151 PolarHBondContact O-N 3.02Å; G151-E153 PolarHBondContact O-N 3.12Å
152Q67.7Low74.6Confident71 Ų7141 Ų4133%0.33223%0.231SC..  trans-94.975.5173-66.3-171.1-7.100108.8L147 L150 P154L147-Q152 CarbonylContact O-C 3.52Å; L147-Q152 PolarHBondContact O-N 3.03Å; L147-Q152 VanDerWaalsContact O-N 3.1Å; L150-Q152 PolarHBondContact O-N 3.47Å; Q152-P154 VanDerWaalsContact O-CD 3.26Å; Q152-P154 WeakPolarHBondContact O-CD 3.45Å
153E71.3Confident74.3Confident52 Ų5241 Ų4124%0.24323%0.225CC..  trans-73.2112.9-179.8-62.2178.914000110.1G151 R196G151-E153 PolarHBondContact O-N 3.12Å; E153-R196 HydrophobicContact CB-CB 4.28Å; E153-R196 IonicContact OE1-CZ 2.81Å; E153-R196 IonicContact OE1-NH1 2.67Å; E153-R196 PolarHBondContact OE1-NH1 3.34Å; E153-R196 WeakPolarHBondContact OE2-CD 3.33Å; E153-R196 IonicContact OE2-CZ 3.91Å; E153-R196 IonicContact OE2-NE 3.81Å; E153-R196 IonicContact OE2-NH1 2.75Å; E153-R196 PolarHBondContact OE2-NH1 3.49Å
154P74.5Confident74Confident10 Ų1041.7 Ų41.77%0.06523%0.228CC..  trans-71.6141.1-175.523.9-25.1000111.3L144 Q152 L164 I197L144-P154 HydrophobicContact CD2-CG 4.08Å; Q152-P154 VanDerWaalsContact O-CD 3.26Å; Q152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-L164 HydrophobicContact CB-CD2 3.48Å; P154-L164 VanDerWaalsContact CB-CD2 3.48Å; P154-L164 HydrophobicContact CG-CD2 3.79Å; P154-I197 HydrophobicContact CG-CB 4.02Å; P154-I197 HydrophobicContact CG-CD1 4.29Å; P154-I197 PolarHBondContact O-N 3.11Å
155L77.8Confident73.4Confident31 Ų3142.8 Ų42.816%0.16224%0.236CC..EExtended strand (participates in β ladder)trans-83.4127.3175.9-70.1171.5000110.4I41 Q60 P116 G195 R196I41-L155 HydrophobicContact CD1-CD2 4.32Å; I41-L155 HydrophobicContact CG2-CD1 4.2Å; I41-L155 HydrophobicContact CG2-CD2 4.49Å; Q60-L155 HydrophobicContact CB-CD1 4.07Å; P116-L155 HydrophobicContact CB-CD2 4.06Å; P116-L155 HydrophobicContact CG-CD2 4.33Å; L155-G195 WeakPolarHBondContact CA-O 3.36Å; L155-R196 HydrophobicContact CD2-CB 4.5Å
156A78Confident72.7Confident1 Ų143 Ų431%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-112136.3173.100000110.6L119 V122 L162 V186 Q194 G195 I197L119-A156 HydrophobicContact CD1-CB 3.84Å; V122-A156 HydrophobicContact CG1-CB 4.41Å; A156-L162 HydrophobicContact CB-CD1 4.41Å; A156-V186 HydrophobicContact CB-CG2 4.45Å; A156-Q194 WeakPolarHBondContact O-CA 3.46Å; A156-G195 PolarHBondContact N-O 3.03Å; A156-G195 PolarHBondContact O-N 3.31Å; A156-I197 HydrophobicContact CB-CD1 3.84Å; A156-I197 HydrophobicContact CB-CG1 3.84Å
157R77.4Confident72.1Confident16 Ų1640.7 Ų40.76%0.0622%0.224CC..EExtended strand (participates in β ladder)trans-136.7131.9-177.2-57166-174.6-139.2-103.6109.5I57 L58 Y100 G159 D160 V186 K193 Q194I57-R157 VanDerWaalsContact C-NH2 3.26Å; L58-R157 VanDerWaalsContact C-NH2 3.34Å; L58-R157 PolarHBondContact O-NE 3.02Å; L58-R157 PolarHBondContact O-NH1 2.68Å; L58-R157 PolarHBondContact O-NH2 3.45Å; Y100-R157 PolarHBondContact OH-NH1 3.27Å; Y100-R157 VanDerWaalsContact OH-NH1 3.09Å; R157-G159 PolarHBondContact O-N 3.18Å; R157-D160 HydrophobicContact CB-CB 4.12Å; R157-D160 WeakPolarHBondContact CD-OD2 3.14Å; R157-D160 PolarHBondContact O-N 2.96Å; R157-D160 VanDerWaalsContact O-N 3.15Å; R157-V186 VanDerWaalsContact O-CB 3.26Å; R157-V186 WeakPolarHBondContact O-CB 3.25Å; R157-V186 WeakPolarHBondContact O-CG1 3.49Å; R157-K193 WeakPolarHBondContact CA-O 3.37Å; R157-Q194 HydrophobicContact CB-CG 3.95Å; R157-Q194 HydrophobicContact CG-CB 3.99Å; R157-Q194 HydrophobicContact CG-CG 3.75Å
158Q76Confident71.5Confident78 Ų7844.7 Ų44.736%0.36425%0.25SC..THydrogen-bonded Turntrans-59124.4177-171.3175.926.200111.2L187 K193Q158-L187 WeakPolarHBondContact CG-O 3.44Å; Q158-L187 PolarHBondContact NE2-O 3.06Å; Q158-K193 PolarHBondContact N-O 3.07Å
159G72.4Confident71.1Confident28 Ų2847.3 Ų47.329%0.28926%0.262SS..THydrogen-bonded Turntrans95.8-15.1179.900000115R157 V186R157-G159 PolarHBondContact O-N 3.18Å; G159-V186 PolarHBondContact N-O 2.66Å
160D76.8Confident70.7Confident17 Ų1740.2 Ų40.29%0.09123%0.229CC..SBendtrans-91.7150-179.2-68.5-4.8000111H99 Y100 R157 V186H99-D160 IonicContact CE1-OD1 2.86Å; H99-D160 PolarHBondContact CE1-OD1 3.46Å; H99-D160 IonicContact ND1-OD1 3.69Å; Y100-D160 PolarHBondContact OH-OD2 3.49Å; R157-D160 HydrophobicContact CB-CB 4.12Å; R157-D160 WeakPolarHBondContact CD-OD2 3.14Å; R157-D160 PolarHBondContact O-N 2.96Å; R157-D160 VanDerWaalsContact O-N 3.15Å; D160-V186 PolarHBondContact O-N 3.13Å
161P74.8Confident70.6Confident12 Ų1235.9 Ų35.98%0.07821%0.212CC..BIsolated β-bridgetrans-68140.9167.728-31.3000110.4L163 L184P161-L163 HydrophobicContact CB-CG 4.5Å; P161-L163 HydrophobicContact CG-CD1 4.31Å; P161-L163 HydrophobicContact CG-CG 4.37Å; P161-L163 PolarHBondContact O-N 3.03Å; P161-L163 VanDerWaalsContact O-N 3.09Å; P161-L184 CarbonylContact C-O 3.54Å; P161-L184 VanDerWaalsContact CA-O 3.27Å; P161-L184 WeakPolarHBondContact CA-O 3.44Å
162L76.8Confident70.4Confident3 Ų340.6 Ų40.62%0.01622%0.224CC..  trans-76.998.4178.4-172.774.4000109.7L124 F140 A156 L164 L184 V186 I197L124-L162 HydrophobicContact CD1-CD2 4Å; L124-L162 HydrophobicContact CD2-CB 4.36Å; L124-L162 HydrophobicContact CD2-CD2 4.16Å; F140-L162 HydrophobicContact CZ-CD2 4.05Å; A156-L162 HydrophobicContact CB-CD1 4.41Å; L162-L164 HydrophobicContact CD1-CD2 4.5Å; L162-L164 HydrophobicContact CD2-CD1 4.42Å; L162-L164 HydrophobicContact CD2-CD2 4.5Å; L162-L164 HydrophobicContact CD2-CG 4.48Å; L162-L164 HydrophobicContact CG-CD2 4.26Å; L162-L164 HydrophobicContact CG-CG 4.32Å; L162-L184 PolarHBondContact N-O 3.29Å; L162-V186 HydrophobicContact CB-CG2 4.12Å; L162-V186 HydrophobicContact CD1-CG2 4.23Å; L162-I197 HydrophobicContact CD1-CD1 3.91Å
163L69.7Low70.5Confident25 Ų2541.8 Ų41.813%0.13123%0.233CC..  trans-102.6108.4-179.4-66.1174000110.9S18 P19 L20 Y95 P161 L181 L182S18-L163 WeakPolarHBondContact OG-CB 3.4Å; S18-L163 PolarHBondContact OG-O 3.26Å; S18-L163 VanDerWaalsContact OG-O 3.11Å; P19-L163 HydrophobicContact CG-CD1 3.58Å; L20-L163 HydrophobicContact CB-CD1 4.48Å; L20-L163 HydrophobicContact CD1-CB 4.39Å; L20-L163 HydrophobicContact CD1-CD1 3.54Å; L20-L163 HydrophobicContact CD1-CG 4.19Å; L20-L163 HydrophobicContact CG-CD1 3.55Å; Y95-L163 HydrophobicContact CE1-CD1 3.97Å; P161-L163 HydrophobicContact CB-CG 4.5Å; P161-L163 HydrophobicContact CG-CD1 4.31Å; P161-L163 HydrophobicContact CG-CG 4.37Å; P161-L163 PolarHBondContact O-N 3.03Å; P161-L163 VanDerWaalsContact O-N 3.09Å; L163-L181 HydrophobicContact CD2-CB 4.47Å; L163-L182 HydrophobicContact CD2-CD2 3.82Å; L163-L182 HydrophobicContact CD2-CG 4.09Å
164L71.3Confident70.1Confident14 Ų1443 Ų437%0.07324%0.244CC..PPolyproline II helixtrans-98.2150.1-179.4-59.3174000111.4F140 L144 L147 P154 L162 F170 L181F140-L164 HydrophobicContact CE2-CD1 4.04Å; L144-L164 HydrophobicContact CD2-CD1 3.5Å; L144-L164 HydrophobicContact CD2-CD2 3.73Å; L144-L164 HydrophobicContact CD2-CG 4.28Å; L144-L164 HydrophobicContact CG-CD1 4.01Å; L147-L164 HydrophobicContact CD1-CB 4.38Å; L147-L164 HydrophobicContact CD1-CD2 4.44Å; P154-L164 HydrophobicContact CB-CD2 3.48Å; P154-L164 VanDerWaalsContact CB-CD2 3.48Å; P154-L164 HydrophobicContact CG-CD2 3.79Å; L162-L164 HydrophobicContact CD1-CD2 4.5Å; L162-L164 HydrophobicContact CD2-CD1 4.42Å; L162-L164 HydrophobicContact CD2-CD2 4.5Å; L162-L164 HydrophobicContact CD2-CG 4.48Å; L162-L164 HydrophobicContact CG-CD2 4.26Å; L162-L164 HydrophobicContact CG-CG 4.32Å; L164-F170 HydrophobicContact CD1-CE1 4.05Å; L164-F170 HydrophobicContact CD1-CE2 4.5Å; L164-F170 HydrophobicContact CD1-CZ 3.76Å; L164-L181 HydrophobicContact CB-CD1 4.3Å; L164-L181 HydrophobicContact CD1-CD2 3.97Å; L164-L181 HydrophobicContact CG-CD2 4.23Å
165P66.1Low69.7Low30 Ų3044.3 Ų44.320%0.19526%0.259CS..PPolyproline II helixtrans-62.7151.8169.827.4-33.6000111L147 H167L147-P165 HydrophobicContact CD1-CG 4.12Å; L147-P165 HydrophobicContact CD2-CG 3.92Å; P165-H167 PolarHBondContact O-N 3.45Å
166H63Low69.3Low85 Ų8547.9 Ų47.939%0.39428%0.275SS..PPolyproline II helixtrans-71.5120-176.7-177.158.8000111.2T174H166-T174 VanDerWaalsContact CE1-CG2 3.44Å; H166-T174 WeakPolarHBondContact CE1-CG2 3.28Å; H166-T174 WeakPolarHBondContact NE2-CG2 3.5Å
167H65.6Low69Low37 Ų3748.4 Ų48.417%0.17128%0.278CS..  trans-124.8140.6172.9-162.1-95.4000109.9E146 P165 L169 F170E146-H167 IonicContact OE2-CE1 3.49Å; E146-H167 PolarHBondContact OE2-CE1 3.34Å; E146-H167 IonicContact OE2-ND1 3.96Å; E146-H167 IonicContact OE2-NE2 2.76Å; P165-H167 PolarHBondContact O-N 3.45Å; H167-L169 PolarHBondContact O-N 3.05Å; H167-L169 VanDerWaalsContact O-N 3.09Å; H167-F170 HydrophobicContact CB-CD2 3.65Å; H167-F170 HydrophobicContact CB-CE2 3.71Å; H167-F170 PolarHBondContact O-N 3.07Å; H167-F170 VanDerWaalsContact O-N 3.1Å
168P63Low68.6Low88 Ų8851.8 Ų51.857%0.57129%0.294SS*.G310 helixtrans-58.2-25.7-177.121.3-34.7000113.9F170 G171P168-F170 VanDerWaalsContact C-N 3.27Å; P168-F170 PolarHBondContact O-N 3.47Å; P168-G171 PolarHBondContact O-N 3.42Å
169L65.6Low68.5Low73 Ų7353.9 Ų53.938%0.38230%0.304SS..G310 helixtrans-70.3-17.5179-67.1-172.8000115.1E146 H167 G171E146-L169 HydrophobicContact CG-CD1 4.18Å; E146-L169 VanDerWaalsContact OE1-CD1 3.3Å; E146-L169 WeakPolarHBondContact OE1-CD1 3.47Å; E146-L169 WeakPolarHBondContact OE2-CD1 3.43Å; H167-L169 PolarHBondContact O-N 3.05Å; H167-L169 VanDerWaalsContact O-N 3.09Å; L169-G171 VanDerWaalsContact C-N 3.27Å
170F66.4Low68.6Low3 Ų354.3 Ų54.31%0.01330%0.299CS..G310 helixtrans-77.7-14175.9-66.8-66.1000112.8W134 F140 L147 L164 H167 P168 V177W134-F170 HydrophobicContact CH2-CD1 4.27Å; W134-F170 HydrophobicContact CZ2-CB 4.21Å; W134-F170 HydrophobicContact CZ2-CD1 4.16Å; F140-F170 HydrophobicContact CD2-CD1 4.27Å; F140-F170 AromaticContact CD2-CE1 4Å; F140-F170 HydrophobicContact CD2-CE1 4Å; L147-F170 HydrophobicContact CD1-CE2 3.87Å; L147-F170 HydrophobicContact CD1-CZ 3.92Å; L147-F170 HydrophobicContact CG-CE2 4.49Å; L164-F170 HydrophobicContact CD1-CE1 4.05Å; L164-F170 HydrophobicContact CD1-CE2 4.5Å; L164-F170 HydrophobicContact CD1-CZ 3.76Å; H167-F170 HydrophobicContact CB-CD2 3.65Å; H167-F170 HydrophobicContact CB-CE2 3.71Å; H167-F170 PolarHBondContact O-N 3.07Å; H167-F170 VanDerWaalsContact O-N 3.1Å; P168-F170 VanDerWaalsContact C-N 3.27Å; P168-F170 PolarHBondContact O-N 3.47Å; F170-V177 HydrophobicContact CB-CG1 3.74Å; F170-V177 HydrophobicContact CB-CG2 4.49Å; F170-V177 VanDerWaalsContact O-CG2 3.3Å; F170-V177 WeakPolarHBondContact O-CG2 3.46Å
171G64.8Low68.5Low23 Ų2353.9 Ų53.924%0.23730%0.296CS..  trans128.8155.417600000114P168 L169 N173P168-G171 PolarHBondContact O-N 3.42Å; L169-G171 VanDerWaalsContact C-N 3.27Å; G171-N173 VanDerWaalsContact C-N 3.32Å; G171-N173 PolarHBondContact O-N 3.42Å
172D59.6Low68.4Low155 Ų15556.6 Ų56.683%0.82931%0.31SS*.SBendtrans-70.6-22.6-173.4-60.5-35.5000114T174D172-T174 PolarHBondContact O-N 3.22Å
173N68.9Low68.4Low97 Ų9759.2 Ų59.252%0.51932%0.322SS..  trans-95.389.8-178.1-70.6-25.5000111.9G171 G175 Q176 V177G171-N173 VanDerWaalsContact C-N 3.32Å; G171-N173 PolarHBondContact O-N 3.42Å; N173-G175 VanDerWaalsContact C-N 3.29Å; N173-G175 PolarHBondContact O-N 2.87Å; N173-G175 VanDerWaalsContact O-N 3.16Å; N173-Q176 HydrophobicContact CB-CB 4.16Å; N173-Q176 HydrophobicContact CB-CG 4.31Å; N173-Q176 PolarHBondContact ND2-OE1 3.1Å; N173-Q176 PolarHBondContact O-N 3.17Å; N173-Q176 VanDerWaalsContact O-N 3.12Å; N173-V177 PolarHBondContact O-N 3.46Å
174T63.7Low68.8Low76 Ų7658 Ų5847%0.46632%0.316SS..Hα-helixtrans-47.6-43.818051.50000114.4H166 D172 Q178H166-T174 VanDerWaalsContact CE1-CG2 3.44Å; H166-T174 WeakPolarHBondContact CE1-CG2 3.28Å; H166-T174 WeakPolarHBondContact NE2-CG2 3.5Å; D172-T174 PolarHBondContact O-N 3.22Å; T174-Q178 WeakPolarHBondContact O-CG 3.4Å; T174-Q178 PolarHBondContact O-N 2.88Å; T174-Q178 VanDerWaalsContact O-N 3.13Å
175G66.3Low69.3Low38 Ų3858.1 Ų58.139%0.39232%0.316SS..Hα-helixtrans-70.1-34.1-177.900000114.5N173 Q179N173-G175 VanDerWaalsContact C-N 3.29Å; N173-G175 PolarHBondContact O-N 2.87Å; N173-G175 VanDerWaalsContact O-N 3.16Å; G175-Q179 VanDerWaalsContact O-CG 3.29Å; G175-Q179 WeakPolarHBondContact O-CG 3.45Å; G175-Q179 PolarHBondContact O-N 3.45Å
176Q69.3Low70Confident107 Ų10756.8 Ų56.850%0.531%0.308SS..Hα-helixtrans-75.7-41.2178.4-72.5177-17.200111.1N173 Q178 Q179 H180N173-Q176 HydrophobicContact CB-CB 4.16Å; N173-Q176 HydrophobicContact CB-CG 4.31Å; N173-Q176 PolarHBondContact ND2-OE1 3.1Å; N173-Q176 PolarHBondContact O-N 3.17Å; N173-Q176 VanDerWaalsContact O-N 3.12Å; Q176-Q178 PolarHBondContact O-N 3.25Å; Q176-Q179 WeakPolarHBondContact O-CB 3.29Å; Q176-Q179 PolarHBondContact O-N 3.16Å; Q176-H180 PolarHBondContact O-CD2 3.2Å; Q176-H180 PolarHBondContact O-N 3.1Å
177V71.4Confident70.6Confident11 Ų1153 Ų537%0.06729%0.29CS..Hα-helixtrans-61.5-44.7176.5174.30000111.1W134 F170 N173 Q179 H180 L181W134-V177 HydrophobicContact CH2-CG1 4.21Å; W134-V177 HydrophobicContact CZ2-CG1 3.97Å; F170-V177 HydrophobicContact CB-CG1 3.74Å; F170-V177 HydrophobicContact CB-CG2 4.49Å; F170-V177 VanDerWaalsContact O-CG2 3.3Å; F170-V177 WeakPolarHBondContact O-CG2 3.46Å; N173-V177 PolarHBondContact O-N 3.46Å; V177-Q179 VanDerWaalsContact C-N 3.32Å; V177-Q179 PolarHBondContact O-N 2.74Å; V177-H180 PolarHBondContact O-N 3.33Å; V177-L181 HydrophobicContact CG1-CD1 4Å; V177-L181 HydrophobicContact CG1-CG 4.48Å; V177-L181 WeakPolarHBondContact O-CG 3.47Å; V177-L181 PolarHBondContact O-N 3.4Å
178Q70.1Confident71Confident87 Ų8752.8 Ų52.841%0.40729%0.289SS..Hα-helixtrans-64.2-35.6176.4-75.9-176.5-14.700112.8T174 Q176 L181 L182T174-Q178 WeakPolarHBondContact O-CG 3.4Å; T174-Q178 PolarHBondContact O-N 2.88Å; T174-Q178 VanDerWaalsContact O-N 3.13Å; Q176-Q178 PolarHBondContact O-N 3.25Å; Q178-L181 PolarHBondContact O-N 3.2Å; Q178-L182 WeakPolarHBondContact O-CB 3.17Å; Q178-L182 WeakPolarHBondContact O-CD1 3.29Å; Q178-L182 VanDerWaalsContact O-CG 3.25Å; Q178-L182 WeakPolarHBondContact O-CG 3.01Å; Q178-L182 PolarHBondContact O-N 2.97Å
179Q72.6Confident71.6Confident123 Ų12348.6 Ų48.658%0.57526%0.262SS*.Hα-helixtrans-65-44173.4-75.9175-4.100111.8G175 Q176 V177 L182 E183G175-Q179 VanDerWaalsContact O-CG 3.29Å; G175-Q179 WeakPolarHBondContact O-CG 3.45Å; G175-Q179 PolarHBondContact O-N 3.45Å; Q176-Q179 WeakPolarHBondContact O-CB 3.29Å; Q176-Q179 PolarHBondContact O-N 3.16Å; V177-Q179 VanDerWaalsContact C-N 3.32Å; V177-Q179 PolarHBondContact O-N 2.74Å; Q179-L182 PolarHBondContact O-N 3.28Å; Q179-E183 WeakPolarHBondContact O-CG 3.46Å; Q179-E183 PolarHBondContact O-N 3.26Å; Q179-E183 VanDerWaalsContact O-N 3.13Å
180H75.3Confident71.9Confident37 Ų3746 Ų4617%0.17125%0.25CS..Hα-helixtrans-64.7-38.5176.1-68.5-44.7000112.7W134 Q176 V177 E183 L184W134-H180 HydrophobicContact CD2-CB 4.17Å; W134-H180 HydrophobicContact CE3-CB 3.8Å; W134-H180 HydrophobicContact CZ3-CB 4.08Å; Q176-H180 PolarHBondContact O-CD2 3.2Å; Q176-H180 PolarHBondContact O-N 3.1Å; V177-H180 PolarHBondContact O-N 3.33Å; H180-E183 IonicContact ND1-OE2 3.93Å; H180-E183 WeakPolarHBondContact O-CB 3.44Å; H180-E183 PolarHBondContact O-N 2.96Å; H180-L184 WeakPolarHBondContact O-CG 3.44Å; H180-L184 PolarHBondContact O-N 3.24Å
181L73.7Confident71.9Confident7 Ų746 Ų464%0.03725%0.25CS..Hα-helixtrans-65.7-38.3174.4-71.9170.4000112.5W134 F140 L163 L164 V177 Q178 E183 L184W134-L181 HydrophobicContact CH2-CD2 3.85Å; W134-L181 HydrophobicContact CH2-CG 4.01Å; W134-L181 HydrophobicContact CZ3-CD2 3.99Å; W134-L181 HydrophobicContact CZ3-CG 4.29Å; F140-L181 HydrophobicContact CE2-CD2 4.09Å; L163-L181 HydrophobicContact CD2-CB 4.47Å; L164-L181 HydrophobicContact CB-CD1 4.3Å; L164-L181 HydrophobicContact CD1-CD2 3.97Å; L164-L181 HydrophobicContact CG-CD2 4.23Å; V177-L181 HydrophobicContact CG1-CD1 4Å; V177-L181 HydrophobicContact CG1-CG 4.48Å; V177-L181 WeakPolarHBondContact O-CG 3.47Å; V177-L181 PolarHBondContact O-N 3.4Å; Q178-L181 PolarHBondContact O-N 3.2Å; L181-E183 PolarHBondContact O-N 2.85Å; L181-L184 HydrophobicContact CD2-CD1 4.44Å; L181-L184 PolarHBondContact O-N 3.26Å
182L72.8Confident72.5Confident69 Ų6944.9 Ų44.936%0.36124%0.239SC..Hα-helixtrans-65.7-25.4173.7-75.8165.5000113.1Y95 L163 Q178 Q179Y95-L182 HydrophobicContact CE2-CD2 4.14Å; Y95-L182 WeakPolarHBondContact OH-CD2 3.41Å; L163-L182 HydrophobicContact CD2-CD2 3.82Å; L163-L182 HydrophobicContact CD2-CG 4.09Å; Q178-L182 WeakPolarHBondContact O-CB 3.17Å; Q178-L182 WeakPolarHBondContact O-CD1 3.29Å; Q178-L182 VanDerWaalsContact O-CG 3.25Å; Q178-L182 WeakPolarHBondContact O-CG 3.01Å; Q178-L182 PolarHBondContact O-N 2.97Å; Q179-L182 PolarHBondContact O-N 3.28Å
183E77.1Confident73.1Confident58 Ų5839 Ų3927%0.27121%0.206SC..Hα-helixtrans-82.5-14.4176-72.9179.4173.700113.7R127 S128 S131 Q179 H180 L181R127-E183 HydrophobicContact CB-CB 4.32Å; R127-E183 PolarHBondContact N-O 3.01Å; S128-E183 WeakPolarHBondContact CB-OE2 3.33Å; S131-E183 VanDerWaalsContact CB-OE2 3.25Å; S131-E183 WeakPolarHBondContact CB-OE2 3.36Å; S131-E183 PolarHBondContact OG-OE2 3.49Å; Q179-E183 WeakPolarHBondContact O-CG 3.46Å; Q179-E183 PolarHBondContact O-N 3.26Å; Q179-E183 VanDerWaalsContact O-N 3.13Å; H180-E183 IonicContact ND1-OE2 3.93Å; H180-E183 WeakPolarHBondContact O-CB 3.44Å; H180-E183 PolarHBondContact O-N 2.96Å; L181-E183 PolarHBondContact O-N 2.85Å
184L78.9Confident73.7Confident0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-90.4111.9176.6-69.6172.4000110.1A126 W134 A135 F140 P161 L162 H180 L181 L205A126-L184 HydrophobicContact CB-CD2 3.85Å; W134-L184 HydrophobicContact CE3-CD1 4.35Å; W134-L184 HydrophobicContact CZ3-CD1 3.91Å; A135-L184 HydrophobicContact CB-CD1 3.99Å; A135-L184 HydrophobicContact CB-CD2 3.93Å; F140-L184 HydrophobicContact CE2-CD1 4.11Å; F140-L184 HydrophobicContact CZ-CD1 4.14Å; P161-L184 CarbonylContact C-O 3.54Å; P161-L184 VanDerWaalsContact CA-O 3.27Å; P161-L184 WeakPolarHBondContact CA-O 3.44Å; L162-L184 PolarHBondContact N-O 3.29Å; H180-L184 WeakPolarHBondContact O-CG 3.44Å; H180-L184 PolarHBondContact O-N 3.24Å; L181-L184 HydrophobicContact CD2-CD1 4.44Å; L181-L184 PolarHBondContact O-N 3.26Å; L184-L205 HydrophobicContact CD2-CD2 4.5Å
185L82.1Confident74.3Confident17 Ų1732 Ų329%0.08917%0.165CC..EExtended strand (participates in β ladder)trans-106133.2-179.4-168.8138.3000110.7G125 L187G125-L185 PolarHBondContact N-O 3.3Å; G125-L185 PolarHBondContact O-N 2.88Å; L185-L187 HydrophobicContact CD2-CD2 3.68Å; L185-L187 HydrophobicContact CD2-CG 4.35Å; L185-L187 PolarHBondContact O-N 3.29Å
186V79.8Confident75Confident1 Ų133.3 Ų33.31%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-76.8107175.3-179.40000108.8V122 L124 A156 R157 G159 D160 L162 C189V122-V186 HydrophobicContact CG1-CG1 3.86Å; L124-V186 HydrophobicContact CD2-CB 4.38Å; L124-V186 HydrophobicContact CD2-CG2 3.72Å; A156-V186 HydrophobicContact CB-CG2 4.45Å; R157-V186 VanDerWaalsContact O-CB 3.26Å; R157-V186 WeakPolarHBondContact O-CB 3.25Å; R157-V186 WeakPolarHBondContact O-CG1 3.49Å; G159-V186 PolarHBondContact N-O 2.66Å; D160-V186 PolarHBondContact O-N 3.13Å; L162-V186 HydrophobicContact CB-CG2 4.12Å; L162-V186 HydrophobicContact CD1-CG2 4.23Å; V186-C189 WeakPolarHBondContact CG1-SG 3.48Å
187L75.4Confident75.6Confident6 Ų628.4 Ų28.43%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-81.9-36.5-177-70.8176.8000112.7V123 Q158 L185 T206 Y208V123-L187 HydrophobicContact CB-CB 4.39Å; V123-L187 HydrophobicContact CG1-CB 4.3Å; V123-L187 HydrophobicContact CG1-CD1 4.32Å; V123-L187 PolarHBondContact O-N 3.36Å; Q158-L187 WeakPolarHBondContact CG-O 3.44Å; Q158-L187 PolarHBondContact NE2-O 3.06Å; L185-L187 HydrophobicContact CD2-CD2 3.68Å; L185-L187 HydrophobicContact CD2-CG 4.35Å; L185-L187 PolarHBondContact O-N 3.29Å; L187-T206 WeakPolarHBondContact CD1-OG1 3.44Å; L187-Y208 HydrophobicContact CD2-CD2 3.93Å; L187-Y208 HydrophobicContact CD2-CE2 3.77Å
188E74.1Confident76Confident32 Ų3228.9 Ų28.915%0.1514%0.138CC..EExtended strand (participates in β ladder)trans-153.8136.8-175.1-172.5171.2-162.900110.5V122 V123 R705V122-E188 WeakPolarHBondContact CA-O 3.32Å; V123-E188 HydrophobicContact CB-CB 4.03Å; V123-E188 HydrophobicContact CG2-CB 4.01Å; V123-E188 PolarHBondContact N-O 3.29Å; V123-E188 PolarHBondContact O-N 2.91Å; E188-R705 WeakPolarHBondContact OE2-CD 3.29Å; E188-R705 IonicContact OE2-NE 3.58Å
189C75.4Confident76.4Confident0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-121.3129.6170.5-66.30000107.6L119 V186 V192L119-C189 HydrophobicContact CD1-CB 4.06Å; L119-C189 HydrophobicContact CD2-CB 3.95Å; V186-C189 WeakPolarHBondContact CG1-SG 3.48Å; C189-V192 CarbonylContact C-O 3.58Å; C189-V192 WeakPolarHBondContact CB-O 3.2Å; C189-V192 VanDerWaalsContact O-O 3.09Å
190S72.7Confident76.6Confident19 Ų1928.6 Ų28.613%0.13315%0.151CC..EExtended strand (participates in β ladder)trans-122.1132.5175160.20000108.7D120 R121 M759D120-S190 PolarHBondContact N-O 3.48Å; R121-S190 PolarHBondContact N-O 2.52Å; R121-S190 PolarHBondContact O-N 3.14Å; S190-M759 WeakPolarHBondContact OG-CE 3.47Å
191P66.2Low76.8Confident2 Ų227.9 Ų27.91%0.01315%0.149CC..SBendcis-95.9-1.91236.6-37.4000115.9L739 T757 M759P191-L739 HydrophobicContact CB-CD2 3.57Å; P191-L739 HydrophobicContact CG-CD2 3.38Å; P191-T757 PolarHBondContact O-N 3.36Å; P191-T757 PolarHBondContact O-OG1 3.4Å; P191-M759 HydrophobicContact CB-CE 4.31Å
192V76.8Confident77.2Confident0 Ų030.3 Ų30.30%017%0.167CC..BIsolated β-bridgetrans-125.4155.2-178.9-67.80000111V117 L119 C189 Q194 L739 S754 G755V117-V192 HydrophobicContact CB-CG2 3.92Å; V117-V192 HydrophobicContact CG1-CG2 4.08Å; L119-V192 HydrophobicContact CD2-CG2 3.73Å; C189-V192 CarbonylContact C-O 3.58Å; C189-V192 WeakPolarHBondContact CB-O 3.2Å; C189-V192 VanDerWaalsContact O-O 3.09Å; V192-Q194 VanDerWaalsContact C-N 3.25Å; V192-Q194 WeakPolarHBondContact CG2-O 3.17Å; V192-Q194 PolarHBondContact O-N 2.97Å; V192-L739 HydrophobicContact CG1-CD1 4.02Å; V192-L739 HydrophobicContact CG1-CD2 4.17Å; V192-S754 WeakPolarHBondContact CG1-OG 3.3Å; V192-G755 CarbonylContact C-O 3.55Å; V192-G755 WeakPolarHBondContact CA-O 3.43Å
193K72.9Confident77.6Confident31 Ų3129.6 Ų29.614%0.13516%0.164CC..SBendtrans-61.8-30.9179.6-78.8-174.6156.7179.70113.4D53 R157 Q158 C702 S754 G755 T757D53-K193 IonicContact OD1-NZ 2.9Å; D53-K193 PolarHBondContact OD1-NZ 3.14Å; D53-K193 IonicContact OD2-NZ 3.67Å; D53-K193 PolarHBondContact OD2-NZ 3.2Å; R157-K193 WeakPolarHBondContact CA-O 3.37Å; Q158-K193 PolarHBondContact N-O 3.07Å; K193-C702 WeakPolarHBondContact CE-SG 3.37Å; K193-C702 PolarHBondContact NZ-SG 3.08Å; K193-S754 PolarHBondContact N-O 3.34Å; K193-G755 PolarHBondContact N-O 3.46Å; K193-T757 HydrophobicContact CG-CG2 4.16Å
194Q80.5Confident77.7Confident25 Ų2529.1 Ų29.112%0.11716%0.164CC..EExtended strand (participates in β ladder)trans-135.6132.4-179.9-51.3-172.99.200110.6G56 L58 A156 R157 V192 S754G56-Q194 PolarHBondContact O-OE1 3.3Å; L58-Q194 HydrophobicContact CD1-CB 3.73Å; L58-Q194 HydrophobicContact CG-CB 4.42Å; L58-Q194 VanDerWaalsContact N-OE1 3.13Å; A156-Q194 WeakPolarHBondContact O-CA 3.46Å; R157-Q194 HydrophobicContact CB-CG 3.95Å; R157-Q194 HydrophobicContact CG-CB 3.99Å; R157-Q194 HydrophobicContact CG-CG 3.75Å; V192-Q194 VanDerWaalsContact C-N 3.25Å; V192-Q194 WeakPolarHBondContact CG2-O 3.17Å; V192-Q194 PolarHBondContact O-N 2.97Å; Q194-S754 PolarHBondContact N-O 3.32Å
195G77.7Confident77.8Confident1 Ų131.9 Ų31.91%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-168.9-178.8-179.400000113.1V117 L155 A156V117-G195 CarbonylContact O-C 3.58Å; V117-G195 VanDerWaalsContact O-CA 3.24Å; V117-G195 WeakPolarHBondContact O-CA 3.41Å; L155-G195 WeakPolarHBondContact CA-O 3.36Å; A156-G195 PolarHBondContact N-O 3.03Å; A156-G195 PolarHBondContact O-N 3.31Å
196R81.3Confident77.7Confident67 Ų6733 Ų3325%0.25319%0.187SC..EExtended strand (participates in β ladder)trans-90.9141.3177.559167.3175.3-1784.4111.3P116 V117 L119 E153 L155 T198P116-R196 HydrophobicContact CB-CB 4.24Å; P116-R196 HydrophobicContact CB-CG 4.31Å; P116-R196 HydrophobicContact CG-CB 4.01Å; P116-R196 HydrophobicContact CG-CG 4.08Å; V117-R196 WeakPolarHBondContact O-CG 3.31Å; V117-R196 PolarHBondContact O-N 3.44Å; L119-R196 PolarHBondContact N-O 2.91Å; E153-R196 HydrophobicContact CB-CB 4.28Å; E153-R196 IonicContact OE1-CZ 2.81Å; E153-R196 IonicContact OE1-NH1 2.67Å; E153-R196 PolarHBondContact OE1-NH1 3.34Å; E153-R196 WeakPolarHBondContact OE2-CD 3.33Å; E153-R196 IonicContact OE2-CZ 3.91Å; E153-R196 IonicContact OE2-NE 3.81Å; E153-R196 IonicContact OE2-NH1 2.75Å; E153-R196 PolarHBondContact OE2-NH1 3.49Å; L155-R196 HydrophobicContact CD2-CB 4.5Å; R196-T198 HydrophobicContact CG-CG2 4.18Å
197I81Confident77.4Confident3 Ų335.8 Ų35.82%0.01520%0.201CC..  trans-84.4120.5169.4-61.1177.1000108.2V122 P154 A156 L162 T201V122-I197 HydrophobicContact CG2-CG1 4.44Å; P154-I197 HydrophobicContact CG-CB 4.02Å; P154-I197 HydrophobicContact CG-CD1 4.29Å; P154-I197 PolarHBondContact O-N 3.11Å; A156-I197 HydrophobicContact CB-CD1 3.84Å; A156-I197 HydrophobicContact CB-CG1 3.84Å; L162-I197 HydrophobicContact CD1-CD1 3.91Å; I197-T201 HydrophobicContact CB-CG2 4.5Å; I197-T201 HydrophobicContact CG2-CG2 4.14Å; I197-T201 VanDerWaalsContact CG2-OG1 3.27Å; I197-T201 WeakPolarHBondContact CG2-OG1 3.06Å
198T80Confident76.6Confident21 Ų2138.1 Ų38.113%0.12921%0.21CC..  trans-109.5169.717465.70000110.6R196 N200 T201R196-T198 HydrophobicContact CG-CG2 4.18Å; T198-N200 PolarHBondContact O-N 2.81Å; T198-N200 VanDerWaalsContact O-N 3.08Å; T198-T201 VanDerWaalsContact N-CG2 3.3Å; T198-T201 WeakPolarHBondContact O-CB 3.36Å; T198-T201 WeakPolarHBondContact O-CG2 3.4Å; T198-T201 PolarHBondContact O-N 2.76Å; T198-T201 PolarHBondContact O-OG1 2.95Å
199A77.3Confident75.4Confident56 Ų5645.8 Ų45.846%0.46324%0.238SC..THydrogen-bonded Turntrans-59.3-20.4176.300000114.2L145L145-A199 HydrophobicContact CD2-CB 4.3Å
200N77.3Confident73.6Confident149 Ų14952.8 Ų52.880%0.79728%0.275SS*.THydrogen-bonded Turntrans-90.4-0.2179.7-62.9-12.7000113T198T198-N200 PolarHBondContact O-N 2.81Å; T198-N200 VanDerWaalsContact O-N 3.08Å
201T80.3Confident71.9Confident21 Ų2153.7 Ų53.713%0.12928%0.281CS..  trans-72.5134.2178.854.30000112.1L119 I197 T198L119-T201 HydrophobicContact CB-CG2 4.09Å; L119-T201 WeakPolarHBondContact O-CG2 3.39Å; I197-T201 HydrophobicContact CB-CG2 4.5Å; I197-T201 HydrophobicContact CG2-CG2 4.14Å; I197-T201 VanDerWaalsContact CG2-OG1 3.27Å; I197-T201 WeakPolarHBondContact CG2-OG1 3.06Å; T198-T201 VanDerWaalsContact N-CG2 3.3Å; T198-T201 WeakPolarHBondContact O-CB 3.36Å; T198-T201 WeakPolarHBondContact O-CG2 3.4Å; T198-T201 PolarHBondContact O-N 2.76Å; T198-T201 PolarHBondContact O-OG1 2.95Å
202S80.8Confident70.3Confident58 Ų5858.4 Ų58.441%0.40632%0.32SS..EExtended strand (participates in β ladder)trans-85.5114.7169.458.50000110.8D120 R121 V122D120-S202 PolarHBondContact O-N 2.84Å; D120-S202 PolarHBondContact O-OG 3.44Å; R121-S202 CarbonylContact C-O 3.28Å; R121-S202 VanDerWaalsContact CA-O 3.29Å; R121-S202 WeakPolarHBondContact CA-O 3.36Å; R121-S202 WeakPolarHBondContact CA-OG 3.03Å; R121-S202 VanDerWaalsContact CB-OG 3.29Å; R121-S202 WeakPolarHBondContact CB-OG 3.39Å; R121-S202 WeakPolarHBondContact CG-OG 3.44Å; V122-S202 PolarHBondContact N-O 2.68Å
203L81.1Confident68Low55 Ų5565.3 Ų65.329%0.28836%0.357SS..EExtended strand (participates in β ladder)trans-94.1122.3175.4-62.1176.9000109.8V122 L144V122-L203 HydrophobicContact CB-CD2 3.81Å; V122-L203 HydrophobicContact CG1-CD2 4.48Å; V122-L203 HydrophobicContact CG2-CD2 4.37Å; V122-L203 WeakPolarHBondContact O-CA 3.5Å; L144-L203 HydrophobicContact CD1-CD1 3.6Å
204V80.6Confident66.1Low47 Ų4767.2 Ų67.229%0.28537%0.373SS..EExtended strand (participates in β ladder)trans-112.4118.4176.1-178.40000108.9R121 V122 V123 L124 T206R121-V204 HydrophobicContact CG-CG2 4.43Å; V122-V204 PolarHBondContact O-N 2.67Å; V123-V204 CarbonylContact C-O 3.45Å; V123-V204 VanDerWaalsContact CA-O 3.31Å; V123-V204 WeakPolarHBondContact CA-O 3.47Å; V123-V204 HydrophobicContact CG2-CB 4.31Å; L124-V204 PolarHBondContact N-O 3.22Å; V204-T206 HydrophobicContact CG1-CG2 4.21Å
205L81.4Confident64Low58 Ų5871.3 Ų71.330%0.30440%0.401SS..EExtended strand (participates in β ladder)trans-93.2130.5176.6-70.2162.2000110L124 L132 A135 L184L124-L205 HydrophobicContact CB-CD2 3.72Å; L124-L205 HydrophobicContact CD1-CD2 4.12Å; L124-L205 WeakPolarHBondContact O-CA 3.49Å; L132-L205 HydrophobicContact CD1-CB 4.34Å; A135-L205 HydrophobicContact CB-CD1 3.98Å; A135-L205 HydrophobicContact CB-CD2 3.7Å; A135-L205 WeakPolarHBondContact O-CD1 3.37Å; L184-L205 HydrophobicContact CD2-CD2 4.5Å
206T78.9Confident61.6Low42 Ų4273.6 Ų73.626%0.25843%0.425SS..EExtended strand (participates in β ladder)trans-131.9145.717855.90000111.2V123 L124 G125 A126 L187 V204 Y208V123-T206 HydrophobicContact CG1-CG2 4Å; L124-T206 PolarHBondContact O-N 3.37Å; L124-T206 PolarHBondContact O-OG1 3.26Å; G125-T206 WeakPolarHBondContact CA-O 3.45Å; A126-T206 PolarHBondContact N-O 3.35Å; A126-T206 VanDerWaalsContact N-O 3.11Å; L187-T206 WeakPolarHBondContact CD1-OG1 3.44Å; V204-T206 HydrophobicContact CG1-CG2 4.21Å; T206-Y208 PolarHBondContact O-N 3.05Å
207D74.1Confident59.1Low59 Ų5973 Ų7332%0.31643%0.43SS..EExtended strand (participates in β ladder)trans-68.5127169.6-79.6-34.8000110L132 W209L132-D207 WeakPolarHBondContact CD2-OD1 3.45Å; D207-W209 PolarHBondContact O-N 3.45Å; D207-W209 VanDerWaalsContact O-N 3.09Å
208Y58.7Low56.5Low55 Ų5577.5 Ų77.522%0.21646%0.462CS..G310 helixtrans-68.5-6.7-179.2-169.5-101.3000113.2A126 R127 L187 T206 P214A126-Y208 WeakPolarHBondContact O-CB 3.33Å; A126-Y208 PolarHBondContact O-N 3.08Å; R127-Y208 HydrophobicContact CG-CD1 4.35Å; R127-Y208 HydrophobicContact CG-CG 4.5Å; L187-Y208 HydrophobicContact CD2-CD2 3.93Å; L187-Y208 HydrophobicContact CD2-CE2 3.77Å; T206-Y208 PolarHBondContact O-N 3.05Å; Y208-P214 PolarHBondContact OH-O 3.27Å
209W48.2Very low53.9Low192 Ų19282.3 Ų82.373%0.72749%0.486SS*.G310 helixtrans-73.7-25.2-178.1-64.289.8000113.9D207D207-W209 PolarHBondContact O-N 3.45Å; D207-W209 VanDerWaalsContact O-N 3.09Å
210D38.8Very low51.8Low148 Ų14884.8 Ų84.879%0.79150%0.497SS*.G310 helixtrans-97.2-2.7-174.3-71-22.6000113.8
211C35.6Very low49.2Very low38 Ų3884 Ų8426%0.25750%0.502SS..SBendtrans-98.2100.7172.7-76.30000109.7D213C211-D213 PolarHBondContact O-N 3.14Å
212A33Very low46.7Very low101 Ų10194.5 Ų94.584%0.83554%0.54SS*.  trans-58.9104.1160.500000109.1
213D29.3Very low43.9Very low145 Ų14597.3 Ų97.378%0.77556%0.559SS**  trans55.5131.2170.4-61.2-35.7000118.5C211C211-D213 PolarHBondContact O-N 3.14Å
214P32Very low41.3Very low70 Ų70102.2 Ų102.246%0.45559%0.585SS.*  -153.1-169.285.445.7-25.9000115Y208Y208-P214 PolarHBondContact OH-O 3.27Å
215P37.3Very low38.6Very low111 Ų111103.1 Ų103.172%0.72160%0.604SS**PPolyproline II helix-78.4126.3-125.234.5-14.7000114.6
216G26.1Very low35.8Very low50 Ų50107.4 Ų107.452%0.51563%0.626SS.*PPolyproline II helixtrans-94.8131.3172.400000113.2
217P28.6Very low33.2Very low54 Ų54110.7 Ų110.735%0.35165%0.651SS.*PPolyproline II helixtrans-74.4141.2166.830.7-29.9000110.5
218S27Very low30.9Very low98 Ų98111.9 Ų111.969%0.68566%0.66SS**PPolyproline II helixtrans-69139.4173.645.50000112.2
219L24.7Very low29.3Very low121 Ų121113.2 Ų113.263%0.63468%0.678SS**  -177.9156.7127.1-98.8161.7000110.8K98K98-L219 HydrophobicContact CB-CD1 4.33Å; K98-L219 HydrophobicContact CD-CD1 3.85Å; K98-L219 HydrophobicContact CG-CD1 4.18Å
220P34.9Very low28.5Very low108 Ų108110.4 Ų110.470%0.70168%0.677SS**  -108134.6-98.335.4-23.7000111.6
221C22.6Very low28.2Very low134 Ų134111.9 Ų111.991%0.90568%0.677SS**  trans-145.7127153.6-96.30000108.7
222R26.1Very low28Very low241 Ų241111.7 Ų111.791%0.90968%0.678SS**  trans-49.5134.8-173.4-73.1168.5165.7172.2-5.5112.9
223S23Very low28Very low117 Ų117113.6 Ų113.682%0.81867%0.669SS**  trans-122.9114.6135.853.60000107.9G225S223-G225 VanDerWaalsContact C-N 3.35Å; S223-G225 PolarHBondContact O-N 3Å; S223-G225 VanDerWaalsContact O-N 3.07Å
224L26.7Very low28.3Very low157 Ų157115.6 Ų115.682%0.82267%0.667SS**  trans-68.697.3165.4-88153000106.6
225G22.6Very low28.4Very low67 Ų67115 Ų11569%0.69167%0.668SS**  trans-106.286.2167.900000109.1S223 S227S223-G225 VanDerWaalsContact C-N 3.35Å; S223-G225 PolarHBondContact O-N 3Å; S223-G225 VanDerWaalsContact O-N 3.07Å; G225-S227 PolarHBondContact O-N 3.35Å; G225-S227 VanDerWaalsContact O-N 3.14Å
226L23.8Very low28.2Very low147 Ų147116 Ų11677%0.7767%0.667SS**  trans-68.298.3164.8-96.9145.4000107.8V228L226-V228 HydrophobicContact CD2-CG2 3.44Å; L226-V228 VanDerWaalsContact CD2-CG2 3.44Å
227S23.3Very low28.6Very low112 Ų112118.1 Ų118.178%0.78367%0.674SS**  trans-99.686.1157.159.60000107.4G225 S229G225-S227 PolarHBondContact O-N 3.35Å; G225-S227 VanDerWaalsContact O-N 3.14Å; S227-S229 PolarHBondContact O-N 3.27Å
228V26.1Very low29Very low83 Ų83121.6 Ų121.650%0.50369%0.69SS.*  trans-74.6115.6168.2173.90000107.1L226 A232L226-V228 HydrophobicContact CD2-CG2 3.44Å; L226-V228 VanDerWaalsContact CD2-CG2 3.44Å; V228-A232 HydrophobicContact CG1-CB 3.38Å
229S25.8Very low29.2Very low84 Ų84120.3 Ų120.359%0.58769%0.692SS**  trans-115.3114.6163.844.90000110S227 F231S227-S229 PolarHBondContact O-N 3.27Å; S229-F231 PolarHBondContact O-N 3.4Å
230D30.8Very low29.9Very low132 Ų132117.7 Ų117.771%0.70669%0.694SS**SBendtrans632.3146.3-57.2-15.3000122.4
231F32.3Very low29.9Very low179 Ų179117.9 Ų117.979%0.78570%0.698SS**SBendtrans-99.4-28.5160.8-143-93.6000113S229 Y234 A235S229-F231 PolarHBondContact O-N 3.4Å; F231-Y234 PolarHBondContact O-N 2.81Å; F231-A235 PolarHBondContact O-N 3.2Å
232A32Very low30.4Very low35 Ų35122.4 Ų122.429%0.28970%0.696SS.*Hα-helixtrans-75.1-29.8178.700000112.7V228 Y234 A235 D236V228-A232 HydrophobicContact CG1-CB 3.38Å; A232-Y234 PolarHBondContact O-N 3.46Å; A232-A235 PolarHBondContact O-N 3.19Å; A232-A235 VanDerWaalsContact O-N 3.16Å; A232-D236 WeakPolarHBondContact O-CB 3.47Å; A232-D236 PolarHBondContact O-N 2.9Å
233H32.2Very low30.9Very low140 Ų140114.1 Ų114.165%0.64868%0.675SS**Hα-helixtrans-66-27.3174.6-108.1-63.4000112.8S237H233-S237 PolarHBondContact O-N 3.12Å; H233-S237 PolarHBondContact O-OG 3.03Å
234Y35.9Very low31.5Very low188 Ų188114.4 Ų114.474%0.73767%0.667SS**Hα-helixtrans-79.4-33.6172.9-154.7-94.7000111.9F231 A232F231-Y234 PolarHBondContact O-N 2.81Å; A232-Y234 PolarHBondContact O-N 3.46Å
235A35.4Very low32.1Very low57 Ų57113.5 Ų113.547%0.47166%0.662SS.*Hα-helixtrans-74.1-34175.800000113.3F231 A232 S237 L238F231-A235 PolarHBondContact O-N 3.2Å; A232-A235 PolarHBondContact O-N 3.19Å; A232-A235 VanDerWaalsContact O-N 3.16Å; A235-S237 VanDerWaalsContact C-N 3.3Å; A235-L238 PolarHBondContact O-N 3.11Å
236D32.7Very low32.7Very low131 Ų131115.2 Ų115.270%0.70166%0.655SS**THydrogen-bonded Turntrans-79.3-11.9176.8-75.3-23.6000113.1A232 L238A232-D236 WeakPolarHBondContact O-CB 3.47Å; A232-D236 PolarHBondContact O-N 2.9Å; D236-L238 PolarHBondContact O-N 3Å
237S34.9Very low33.2Very low95 Ų95110.8 Ų110.866%0.66464%0.636SS**THydrogen-bonded Turntrans-75.5-13.2170.2-59.60000112.7H233 A235 G239H233-S237 PolarHBondContact O-N 3.12Å; H233-S237 PolarHBondContact O-OG 3.03Å; A235-S237 VanDerWaalsContact C-N 3.3Å; S237-G239 VanDerWaalsContact C-N 3.33Å; S237-G239 PolarHBondContact O-N 3.3Å
238L36.9Very low33.7Very low128 Ų128115.2 Ų115.267%0.6764%0.636SS**SBendtrans-93.171.4170.5-68169.1000108.9A235 D236 G240A235-L238 PolarHBondContact O-N 3.11Å; D236-L238 PolarHBondContact O-N 3Å; L238-G240 PolarHBondContact O-N 2.87Å
239G30.5Very low34.3Very low71 Ų71116.3 Ų116.373%0.73265%0.647SS**  trans-58.8131.4176.500000112.4S237S237-G239 VanDerWaalsContact C-N 3.33Å; S237-G239 PolarHBondContact O-N 3.3Å
240G38.7Very low34.9Very low66 Ų66116.6 Ų116.668%0.6865%0.649SS**SBendtrans71.899.4147.900000117.1L238L238-G240 PolarHBondContact O-N 2.87Å
241S35.9Very low35.2Very low111 Ų111116 Ų11678%0.77665%0.646SS**SBendtrans69.687.7159.8700000117.1
242R33.3Very low35.4Very low229 Ų229110.4 Ų110.486%0.86464%0.638SS**  trans173.1138.5134.9-88.9149.6-162.3-141.35.6109.3
243S35.6Very low35.9Very low68 Ų68114.7 Ų114.748%0.47667%0.666SS.*  trans-54.3132176.38.30000111.7L245 D246S243-L245 PolarHBondContact O-N 3.47Å; S243-L245 VanDerWaalsContact O-N 3.09Å; S243-D246 PolarHBondContact O-N 2.9Å; S243-D246 PolarHBondContact OG-OD2 3.38Å
244L35.7Very low36.1Very low123 Ų123110.1 Ų110.164%0.64466%0.656SS**Hα-helixtrans-56.4-24.9174.3-82.1163.5000113D246 S247 W248L244-D246 VanDerWaalsContact C-N 3.34Å; L244-D246 PolarHBondContact O-N 3.28Å; L244-S247 PolarHBondContact O-N 3.49Å; L244-W248 PolarHBondContact O-N 3.26Å
245L39.3Very low36.1Very low138 Ų138105.1 Ų105.172%0.72364%0.642SS**Hα-helixtrans-68.4-28.6177-68.2167.8000113.4S243 S247S243-L245 PolarHBondContact O-N 3.47Å; S243-L245 VanDerWaalsContact O-N 3.09Å; L245-S247 VanDerWaalsContact C-N 3.34Å
246D36.6Very low36.5Very low103 Ų103105.9 Ų105.955%0.55164%0.642SS**Hα-helixtrans-75.9-27.4178.1-67.9-45.7000111.8S243 L244 S249S243-D246 PolarHBondContact O-N 2.9Å; S243-D246 PolarHBondContact OG-OD2 3.38Å; L244-D246 VanDerWaalsContact C-N 3.34Å; L244-D246 PolarHBondContact O-N 3.28Å; D246-S249 PolarHBondContact O-OG 3.4Å
247S33.2Very low36.5Very low53 Ų53104.6 Ų104.637%0.37164%0.636SS.*Hα-helixtrans-82.1-17.1-179.6-52.80000113.2L244 L245 S249 S250L244-S247 PolarHBondContact O-N 3.49Å; L245-S247 VanDerWaalsContact C-N 3.34Å; S247-S249 PolarHBondContact O-N 2.91Å; S247-S250 PolarHBondContact O-N 3.1Å; S247-S250 PolarHBondContact O-OG 3.04Å
248W34.8Very low36.6Very low206 Ų206104.7 Ų104.778%0.7863%0.632SS**THydrogen-bonded Turntrans-70.3-19176.6-81.833.5000112.9L244L244-W248 PolarHBondContact O-N 3.26Å
249S37.9Very low36.6Very low105 Ų105103.5 Ų103.573%0.73463%0.625SS**THydrogen-bonded Turntrans-82.2-22.4176.170.20000113.4D246 S247D246-S249 PolarHBondContact O-OG 3.4Å; S247-S249 PolarHBondContact O-N 2.91Å
250S37.5Very low37.1Very low91 Ų91105.9 Ų105.964%0.63662%0.618SS**THydrogen-bonded Turntrans-96.8-11.1-172.550.90000115.5S247 G252S247-S250 PolarHBondContact O-N 3.1Å; S247-S250 PolarHBondContact O-OG 3.04Å; S250-G252 PolarHBondContact O-N 3.21Å
251L37.5Very low37.1Very low120 Ų120106.3 Ų106.363%0.62861%0.614SS**  trans-95.667.4175.2-85.2149.4000110.3L255L251-L255 HydrophobicContact CB-CD1 4.29Å; L251-L255 HydrophobicContact CD1-CD1 4.29Å; L251-L255 HydrophobicContact CD2-CD1 4.19Å; L251-L255 HydrophobicContact CG-CD1 4.49Å
252G37Very low37.7Very low60 Ų60105.8 Ų105.862%0.61960%0.602SS**  trans-66.2134.3169.600000111.6S250 G254S250-G252 PolarHBondContact O-N 3.21Å; G252-G254 PolarHBondContact O-N 2.96Å
253S42.5Very low38.9Very low125 Ų12598.8 Ų98.887%0.87458%0.58SS**SBendtrans77.32.4154.374.30000122.4
254G36.1Very low40.4Very low44 Ų4497 Ų9745%0.45457%0.567SS.*SBendtrans-126.8-17.7-177.300000118.4G252G252-G254 PolarHBondContact O-N 2.96Å
255L36.8Very low42.2Very low83 Ų83100.7 Ų100.744%0.43557%0.572SS.*Hα-helixtrans-85.9-25.6-175.6-100.5150.5000117.1L251 D257 V258 L259L251-L255 HydrophobicContact CB-CD1 4.29Å; L251-L255 HydrophobicContact CD1-CD1 4.29Å; L251-L255 HydrophobicContact CD2-CD1 4.19Å; L251-L255 HydrophobicContact CG-CD1 4.49Å; L255-D257 PolarHBondContact O-N 3.27Å; L255-V258 PolarHBondContact O-N 2.91Å; L255-L259 PolarHBondContact O-N 3.38Å; L255-L259 VanDerWaalsContact O-N 3.13Å
256P42.4Very low44Very low74 Ų7494.3 Ų94.348%0.48154%0.539SS..Hα-helixtrans-60.5-29.4177.6-19.630.5000112.6Q260P256-Q260 VanDerWaalsContact O-CB 3.24Å; P256-Q260 WeakPolarHBondContact O-CB 3.43Å; P256-Q260 PolarHBondContact O-N 3.46Å
257D33.9Very low45.9Very low104 Ų10492.4 Ų92.456%0.55653%0.529SS*.Hα-helixtrans-77.5-35.3-178.9-70.38.2000112.3L255 Q260 A261L255-D257 PolarHBondContact O-N 3.27Å; D257-Q260 WeakPolarHBondContact O-CB 3.38Å; D257-Q260 PolarHBondContact O-N 2.89Å; D257-Q260 PolarHBondContact OD1-OE1 2.91Å; D257-Q260 VanDerWaalsContact OD1-OE1 3.04Å; D257-A261 PolarHBondContact O-N 3.47Å
258V35.8Very low48Very low96 Ų9690.1 Ų90.158%0.58251%0.512SS*.Hα-helixtrans-73.7-39175.9-179.60000111.2L255 Q260 A261L255-V258 PolarHBondContact O-N 2.91Å; V258-Q260 VanDerWaalsContact C-N 3.28Å; V258-A261 PolarHBondContact O-N 3.45Å
259L36.8Very low50Low103 Ų10384.2 Ų84.254%0.53949%0.49SS..Hα-helixtrans-72.4-21.1169.7-75.1165.4000112.4L255 A261 L262L255-L259 PolarHBondContact O-N 3.38Å; L255-L259 VanDerWaalsContact O-N 3.13Å; L259-A261 PolarHBondContact O-N 3.23Å; L259-L262 HydrophobicContact CD2-CD1 3.97Å
260Q40.6Very low51.7Low122 Ų12280.2 Ų80.257%0.5746%0.461SS*.Hα-helixtrans-67.5-22.2173.4-134.5161.312.200112.6P256 D257 V258P256-Q260 VanDerWaalsContact O-CB 3.24Å; P256-Q260 WeakPolarHBondContact O-CB 3.43Å; P256-Q260 PolarHBondContact O-N 3.46Å; D257-Q260 WeakPolarHBondContact O-CB 3.38Å; D257-Q260 PolarHBondContact O-N 2.89Å; D257-Q260 PolarHBondContact OD1-OE1 2.91Å; D257-Q260 VanDerWaalsContact OD1-OE1 3.04Å; V258-Q260 VanDerWaalsContact C-N 3.28Å
261A38.8Very low53.1Low74 Ų7477.7 Ų77.761%0.61244%0.442SS*.THydrogen-bonded Turntrans-104.81.6-170.500000114.9D257 V258 L259 E263D257-A261 PolarHBondContact O-N 3.47Å; V258-A261 PolarHBondContact O-N 3.45Å; L259-A261 PolarHBondContact O-N 3.23Å; A261-E263 PolarHBondContact O-N 3.17Å
262L49.2Very low54.2Low100 Ų10073.2 Ų73.252%0.52442%0.418SS..  trans-76.279.5178.6-74.5169.8000111L259 C264L259-L262 HydrophobicContact CD2-CD1 3.97Å; L262-C264 PolarHBondContact O-N 3.29Å
263E59.2Low54.9Low82 Ų8270.4 Ų70.438%0.38339%0.389SS..  trans-74.2109.8162.5-179.6-173.3168.600109.1A261 R381A261-E263 PolarHBondContact O-N 3.17Å; E263-R381 HydrophobicContact CG-CG 3.53Å; E263-R381 WeakPolarHBondContact OE1-CD 3.35Å; E263-R381 VanDerWaalsContact OE1-CG 3.26Å; E263-R381 WeakPolarHBondContact OE1-CG 3.23Å; E263-R381 IonicContact OE1-CZ 2.74Å; E263-R381 IonicContact OE1-NE 2.7Å; E263-R381 PolarHBondContact OE1-NE 2.97Å; E263-R381 IonicContact OE1-NH1 3.36Å; E263-R381 IonicContact OE1-NH2 3.74Å; E263-R381 IonicContact OE2-CZ 2.96Å; E263-R381 IonicContact OE2-NE 3.1Å; E263-R381 PolarHBondContact OE2-NE 3.32Å; E263-R381 IonicContact OE2-NH2 3.86Å; E263-R381 PolarHBondContact OE2-NH2 2.96Å
264C65.9Low55.5Low30 Ų3067 Ų6720%0.20336%0.359CS..EExtended strand (participates in β ladder)trans-93.5137176.1-63.90000109.9L262 L303 M382L262-C264 PolarHBondContact O-N 3.29Å; C264-L303 HydrophobicContact CB-CD2 3.86Å; C264-M382 HydrophobicContact CB-CB 4.39Å; C264-M382 HydrophobicContact CB-CE 3.82Å; C264-M382 PolarHBondContact N-O 3.39Å; C264-M382 WeakPolarHBondContact O-CB 3.5Å; C264-M382 PolarHBondContact O-N 3.06Å
265R73.6Confident56.1Low201 Ų20173.7 Ų73.776%0.75837%0.371SS*.EExtended strand (participates in β ladder)trans-92.2122167.2-66.7-176.5179.9-179.6-0.2108.1L380R265-L380 WeakPolarHBondContact CA-O 3.45Å
266L77.5Confident56.7Low4 Ų472.2 Ų72.22%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-115.7123.4179.9176.266000109.1V268 V293 L295 L299 L303 T379 L380 M382L266-V268 HydrophobicContact CB-CG2 4.38Å; L266-V268 HydrophobicContact CD2-CG2 3.6Å; L266-V268 HydrophobicContact CG-CG2 3.61Å; L266-V293 HydrophobicContact CD2-CG1 3.97Å; L266-L295 HydrophobicContact CD1-CD2 4.11Å; L266-L295 HydrophobicContact CD2-CD2 3.86Å; L266-L299 HydrophobicContact CD1-CD1 4.15Å; L266-L299 HydrophobicContact CD1-CD2 3.82Å; L266-L303 HydrophobicContact CD1-CD1 4.22Å; L266-T379 CarbonylContact O-C 3.59Å; L266-T379 WeakPolarHBondContact O-CA 3.49Å; L266-L380 PolarHBondContact N-O 3.11Å; L266-L380 PolarHBondContact O-N 3.35Å; L266-M382 HydrophobicContact CD2-SD 4.31Å
267D77.5Confident56.7Low64 Ų6471.3 Ų71.334%0.34235%0.354SS..EExtended strand (participates in β ladder)trans-75.8124.6168.2-82.3-29.8000109.9V356 G357 T379D267-V356 HydrophobicContact CB-CG2 4.42Å; D267-V356 CarbonylContact O-C 3.55Å; D267-V356 WeakPolarHBondContact O-CA 3.37Å; D267-G357 PolarHBondContact O-N 3.34Å; D267-T379 WeakPolarHBondContact OD1-CG2 3.24Å
268V75.9Confident57.1Low4 Ų477 Ų772%0.02437%0.368CS..EExtended strand (participates in β ladder)trans-124.7139.8-176.5-178.20000111.7L266 G357 I359 S377 C378 L380L266-V268 HydrophobicContact CB-CG2 4.38Å; L266-V268 HydrophobicContact CD2-CG2 3.6Å; L266-V268 HydrophobicContact CG-CG2 3.61Å; V268-G357 CarbonylContact C-O 3.37Å; V268-G357 VanDerWaalsContact CA-O 3.22Å; V268-G357 WeakPolarHBondContact CA-O 3.4Å; V268-G357 WeakPolarHBondContact CG1-O 3.42Å; V268-I359 HydrophobicContact CB-CD1 4.33Å; V268-I359 HydrophobicContact CG1-CB 3.59Å; V268-I359 HydrophobicContact CG1-CD1 3.57Å; V268-I359 HydrophobicContact CG1-CG1 3.45Å; V268-I359 VanDerWaalsContact CG1-CG1 3.45Å; V268-I359 HydrophobicContact CG2-CD1 4.13Å; V268-S377 WeakPolarHBondContact O-CA 3.45Å; V268-C378 PolarHBondContact N-O 3.01Å; V268-C378 PolarHBondContact O-N 3.05Å; V268-L380 HydrophobicContact CB-CD1 4.16Å; V268-L380 HydrophobicContact CG2-CB 4.43Å; V268-L380 HydrophobicContact CG2-CD1 3.92Å; V268-L380 HydrophobicContact CG2-CG 4.28Å
269R77.8Confident57.2Low83 Ų8377.9 Ų77.931%0.31337%0.373SS..EExtended strand (participates in β ladder)trans-107.8135.5165.3-75.3177.2-172.6-178.46.3110.9V271 H353 V356 G357 F358 I359R269-V271 HydrophobicContact CB-CG2 4.46Å; R269-H353 PolarHBondContact NH1-CD2 3.01Å; R269-H353 PolarHBondContact NH1-NE2 3.45Å; R269-H353 PolarHBondContact NH2-CD2 3.24Å; R269-H353 PolarHBondContact NH2-NE2 2.58Å; R269-V356 HydrophobicContact CB-CG1 4.1Å; R269-V356 HydrophobicContact CG-CG1 3.72Å; R269-G357 PolarHBondContact N-O 3.49Å; R269-F358 HydrophobicContact CB-CD1 4.05Å; R269-F358 HydrophobicContact CB-CE1 4.27Å; R269-F358 WeakPolarHBondContact O-CA 3.26Å; R269-I359 PolarHBondContact O-N 2.99Å; R269-I359 VanDerWaalsContact O-N 3.11Å
270V72.3Confident57.1Low20 Ų2081.5 Ų81.512%0.12138%0.384CS..EExtended strand (participates in β ladder)trans-81.1123.1175.3-174.40000109I359 A361 W364 L373 P374V270-I359 CarbonylContact C-O 3.56Å; V270-I359 WeakPolarHBondContact CA-O 3.47Å; V270-A361 HydrophobicContact CG1-CB 4.03Å; V270-W364 HydrophobicContact CG1-CB 4.24Å; V270-W364 HydrophobicContact CG2-CB 3.99Å; V270-W364 HydrophobicContact CG2-CD2 3.91Å; V270-W364 HydrophobicContact CG2-CE3 3.94Å; V270-W364 HydrophobicContact CG2-CG 3.92Å; V270-L373 HydrophobicContact CB-CD2 4.3Å; V270-L373 HydrophobicContact CG1-CD2 3.71Å; V270-L373 HydrophobicContact CG2-CD2 4.47Å; V270-P374 HydrophobicContact CG2-CG 3.97Å
271V68Low56.9Low39 Ų3977 Ų7724%0.23637%0.371CS..  trans-136.5151.9-177.8-172.60000110R269 T273 W276 F358 I359 S360R269-V271 HydrophobicContact CB-CG2 4.46Å; V271-T273 PolarHBondContact O-N 3.41Å; V271-W276 HydrophobicContact CB-CH2 3.83Å; V271-W276 HydrophobicContact CB-CZ2 4.09Å; V271-W276 HydrophobicContact CB-CZ3 4.28Å; V271-W276 HydrophobicContact CG1-CH2 3.69Å; V271-W276 HydrophobicContact CG1-CZ2 3.4Å; V271-W276 VanDerWaalsContact CG1-CZ2 3.4Å; V271-W276 HydrophobicContact CG1-CZ3 4.35Å; V271-W276 HydrophobicContact CG2-CH2 3.92Å; V271-W276 HydrophobicContact CG2-CZ2 4.31Å; V271-F358 HydrophobicContact CG2-CD1 3.57Å; V271-F358 HydrophobicContact CG2-CE1 4.17Å; V271-F358 HydrophobicContact CG2-CG 4.49Å; V271-I359 PolarHBondContact N-O 3.47Å; V271-I359 VanDerWaalsContact O-O 3.14Å; V271-S360 WeakPolarHBondContact O-CA 3.29Å
272D60.1Low56.7Low25 Ų2582.6 Ų82.613%0.13438%0.384CS..  trans-78.8110.7178.7-156.6-14.8000111.2H274 R275 C512D272-H274 PolarHBondContact O-N 3.03Å; D272-H274 IonicContact OD1-CD2 3.53Å; D272-R275 PolarHBondContact O-N 3.29Å; D272-C512 VanDerWaalsContact OD2-CA 3.3Å; D272-C512 WeakPolarHBondContact OD2-CA 3.25Å; D272-C512 WeakPolarHBondContact OD2-CB 3.27Å; D272-C512 PolarHBondContact OD2-N 3.19Å
273T53.1Low56Low1 Ų184.6 Ų84.61%0.00639%0.391CS..G310 helixtrans-78-20-16850.90000113V271 R275 W276 C277 F294 S360V271-T273 PolarHBondContact O-N 3.41Å; T273-R275 PolarHBondContact O-N 3.06Å; T273-W276 PolarHBondContact O-N 3.21Å; T273-C277 PolarHBondContact O-N 2.94Å; T273-C277 PolarHBondContact O-SG 3.24Å; T273-C277 VanDerWaalsContact O-SG 3.33Å; T273-F294 HydrophobicContact CG2-CD2 4.09Å; T273-F294 HydrophobicContact CG2-CE2 3.45Å; T273-F294 VanDerWaalsContact CG2-CE2 3.45Å; T273-F294 HydrophobicContact CG2-CZ 4.39Å; T273-S360 VanDerWaalsContact CG2-CB 3.49Å
274H53.9Low54.9Low55 Ų5584.6 Ų84.626%0.25541%0.413SS..G310 helixtrans-63-22175.2-69.2-64.6000113.6D272 W276D272-H274 PolarHBondContact O-N 3.03Å; D272-H274 IonicContact OD1-CD2 3.53Å; H274-W276 VanDerWaalsContact C-N 3.34Å
275R49.3Very low53.7Low184 Ų18486 Ų8669%0.69442%0.424SS*.G310 helixtrans-73-26.8171.4-72.5-174.9178.3-166.8-2.5112.6D272 T273D272-R275 PolarHBondContact O-N 3.29Å; T273-R275 PolarHBondContact O-N 3.06Å
276W49Very low52.7Low52 Ų5284 Ų8420%0.19742%0.421CS..THydrogen-bonded Turntrans-101.3-31.2-169.7-63.5-7.7000113V271 T273 H274 R278 V279 L350 F358V271-W276 HydrophobicContact CB-CH2 3.83Å; V271-W276 HydrophobicContact CB-CZ2 4.09Å; V271-W276 HydrophobicContact CB-CZ3 4.28Å; V271-W276 HydrophobicContact CG1-CH2 3.69Å; V271-W276 HydrophobicContact CG1-CZ2 3.4Å; V271-W276 VanDerWaalsContact CG1-CZ2 3.4Å; V271-W276 HydrophobicContact CG1-CZ3 4.35Å; V271-W276 HydrophobicContact CG2-CH2 3.92Å; V271-W276 HydrophobicContact CG2-CZ2 4.31Å; T273-W276 PolarHBondContact O-N 3.21Å; H274-W276 VanDerWaalsContact C-N 3.34Å; W276-R278 PolarHBondContact O-N 3.4Å; W276-V279 PolarHBondContact O-N 3.11Å; W276-L350 HydrophobicContact CH2-CD1 4.27Å; W276-L350 HydrophobicContact CZ2-CD1 3.6Å; W276-F358 HydrophobicContact CH2-CB 3.83Å; W276-F358 AromaticContact CH2-CD1 3.56Å; W276-F358 HydrophobicContact CH2-CD1 3.56Å; W276-F358 AromaticContact CH2-CD2 3.86Å; W276-F358 HydrophobicContact CH2-CD2 3.86Å; W276-F358 AromaticContact CH2-CE1 3.97Å; W276-F358 HydrophobicContact CH2-CE1 3.97Å; W276-F358 HydrophobicContact CH2-CE2 4.27Å; W276-F358 AromaticContact CH2-CG 3.47Å; W276-F358 HydrophobicContact CH2-CG 3.47Å; W276-F358 VanDerWaalsContact CH2-CG 3.47Å; W276-F358 HydrophobicContact CH2-CZ 4.31Å; W276-F358 HydrophobicContact CZ3-CB 3.46Å; W276-F358 VanDerWaalsContact CZ3-CB 3.46Å; W276-F358 HydrophobicContact CZ3-CD1 4.13Å; W276-F358 AromaticContact CZ3-CD2 3.93Å; W276-F358 HydrophobicContact CZ3-CD2 3.93Å; W276-F358 AromaticContact CZ3-CG 3.58Å; W276-F358 HydrophobicContact CZ3-CG 3.58Å
277C42.7Very low51.8Low55 Ų5586.1 Ų86.137%0.37243%0.433SS..THydrogen-bonded Turntrans-77.619.4-172.2-66.30000116.2T273 V279 P289T273-C277 PolarHBondContact O-N 2.94Å; T273-C277 PolarHBondContact O-SG 3.24Å; T273-C277 VanDerWaalsContact O-SG 3.33Å; C277-V279 VanDerWaalsContact C-N 3.29Å; C277-P289 HydrophobicContact CB-CB 4.2Å; C277-P289 WeakPolarHBondContact SG-CB 3.27Å
278R41.9Very low51.3Low224 Ų22483.8 Ų83.885%0.84542%0.421SS*.THydrogen-bonded Turntrans-85.8-1.3162.1-80.1-173.2175.7179.2-0.2113.4W276 K280W276-R278 PolarHBondContact O-N 3.4Å; R278-K280 PolarHBondContact O-N 2.91Å
279V37.7Very low50.9Low113 Ų11384.3 Ų84.369%0.68542%0.424SS*.SBendtrans-80.194.3167.3-174.50000108.1W276 C277 G281W276-V279 PolarHBondContact O-N 3.11Å; C277-V279 VanDerWaalsContact C-N 3.29Å; V279-G281 PolarHBondContact O-N 2.89Å
280K35.3Very low50.5Low179 Ų17980.9 Ų80.978%0.77841%0.413SS*.  trans-55.8121.8162.3-75.8-171.4173.5-169.30107R278R278-K280 PolarHBondContact O-N 2.91Å
281G35.6Very low50.6Low28 Ų2880.3 Ų80.329%0.28941%0.409SS..  trans-50.2149.6171.600000110.3V279 Q283V279-G281 PolarHBondContact O-N 2.89Å; G281-Q283 CarbonylContact O-C 3.58Å; G281-Q283 PolarHBondContact O-N 3.26Å
282Q34.8Very low51Low191 Ų19178.4 Ų78.489%0.89340%0.397SS*.SBendtrans-60.7-3.7-179.3-69.2-176.7-6.900113.6
283Q35Very low51.8Low143 Ų14377.5 Ų77.567%0.66839%0.393SS*.SBendtrans-129.4137.5167.6-67.2178.6-14.800108G281 S285G281-Q283 CarbonylContact O-C 3.58Å; G281-Q283 PolarHBondContact O-N 3.26Å; Q283-S285 PolarHBondContact O-N 3.06Å
284G35.4Very low53.1Low82 Ų8277.9 Ų77.985%0.84539%0.394SS*.  trans-66.432.6-168.700000117.8
285S41.6Very low54.3Low60 Ų6075.3 Ų75.342%0.4238%0.382SS..  trans-81.3122.8170570000110.3Q283 V287Q283-S285 PolarHBondContact O-N 3.06Å; S285-V287 PolarHBondContact O-N 3.35Å
286F52.4Low55.4Low158 Ų15867.1 Ų67.169%0.69335%0.353SS*.  trans-65.7126.7170.2-69-92.4000109.6T437F286-T437 HydrophobicContact CB-CG2 3.35Å; F286-T437 HydrophobicContact CD1-CG2 3.67Å; F286-T437 HydrophobicContact CD2-CG2 4.44Å; F286-T437 HydrophobicContact CG-CG2 3.59Å
287V57.5Low56.3Low48 Ų4871.3 Ų71.329%0.29137%0.373SS..  trans-107.1128-176.6-177.70000108.7S285 P289 C292 Y308 V342S285-V287 PolarHBondContact O-N 3.35Å; V287-P289 VanDerWaalsContact O-CD 3.27Å; V287-P289 WeakPolarHBondContact O-CD 3.26Å; V287-C292 WeakPolarHBondContact CG1-SG 3.3Å; V287-Y308 HydrophobicContact CG1-CE1 4.44Å; V287-Y308 HydrophobicContact CG2-CE1 3.64Å; V287-V342 HydrophobicContact CG1-CG2 4.07Å
288D67.9Low57.5Low15 Ų1573.6 Ų73.68%0.0838%0.378CS..  trans-77.5105.5175.8-179.911.8000110.4D290 N291 C292 R439D288-D290 PolarHBondContact O-N 3.32Å; D288-D290 PolarHBondContact OD1-N 3.38Å; D288-N291 PolarHBondContact O-N 3.27Å; D288-N291 PolarHBondContact OD2-ND2 3.15Å; D288-C292 PolarHBondContact O-SG 2.83Å; D288-R439 HydrophobicContact CB-CG 4.31Å; D288-R439 IonicContact OD1-CZ 3.65Å; D288-R439 IonicContact OD1-NH1 3.98Å; D288-R439 PolarHBondContact OD1-NH1 2.89Å; D288-R439 WeakPolarHBondContact OD2-CB 3.37Å
289P67.3Low58.8Low15 Ų1563.4 Ų63.410%0.09734%0.34CS..G310 helixtrans-68.3-20.5-173.132.6-39.6000114C277 V287C277-P289 HydrophobicContact CB-CB 4.2Å; C277-P289 WeakPolarHBondContact SG-CB 3.27Å; V287-P289 VanDerWaalsContact O-CD 3.27Å; V287-P289 WeakPolarHBondContact O-CD 3.26Å
290D70.6Confident60.4Low12 Ų1258.6 Ų58.66%0.06431%0.31CS..G310 helixtrans-85.6-13.4-175.3-66.6-44.4000112.4D288 T362 L363 T448D288-D290 PolarHBondContact O-N 3.32Å; D288-D290 PolarHBondContact OD1-N 3.38Å; D290-T362 HydrophobicContact CB-CG2 4.46Å; D290-T362 PolarHBondContact OD1-OG1 2.96Å; D290-L363 WeakPolarHBondContact O-CB 3.05Å; D290-L363 WeakPolarHBondContact O-CD1 3.32Å; D290-T448 PolarHBondContact OD2-OG1 3.07Å
291N73.6Confident61.9Low7 Ų755.9 Ų55.94%0.03730%0.304CS..G310 helixtrans-125.635.2177.4-65.8-57.5000112.4D288 R337 V339 S340 V440D288-N291 PolarHBondContact O-N 3.27Å; D288-N291 PolarHBondContact OD2-ND2 3.15Å; N291-R337 PolarHBondContact OD1-NE 2.9Å; N291-R337 PolarHBondContact OD1-NH2 3.38Å; N291-V339 WeakPolarHBondContact O-CG1 3.49Å; N291-S340 PolarHBondContact O-N 2.89Å; N291-S340 PolarHBondContact O-OG 2.97Å; N291-V440 HydrophobicContact CB-CB 4.33Å; N291-V440 PolarHBondContact ND2-O 2.96Å
292C76.1Confident63.3Low0 Ų062 Ų620%032%0.318CS..EExtended strand (participates in β ladder)trans-122145.1175.6-71.60000113.1V287 D288 F294 S340 V342V287-C292 WeakPolarHBondContact CG1-SG 3.3Å; D288-C292 PolarHBondContact O-SG 2.83Å; C292-F294 HydrophobicContact CB-CE1 4.1Å; C292-F294 HydrophobicContact CB-CE2 4.15Å; C292-F294 HydrophobicContact CB-CZ 3.84Å; C292-S340 CarbonylContact C-O 3.54Å; C292-S340 WeakPolarHBondContact CA-O 3.36Å; C292-S340 PolarHBondContact SG-OG 3.18Å; C292-V342 HydrophobicContact CB-CG2 4.15Å
293V77.9Confident64.9Low6 Ų654.4 Ų54.44%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-102121.9161.3-179.90000107.8L266 L295 L313 V339 S340 V342 I359L266-V293 HydrophobicContact CD2-CG1 3.97Å; V293-L295 HydrophobicContact CG1-CD2 3.6Å; V293-L295 HydrophobicContact CG1-CG 3.97Å; V293-L313 HydrophobicContact CG2-CD1 3.26Å; V293-L313 HydrophobicContact CG2-CD2 4.42Å; V293-L313 HydrophobicContact CG2-CG 4.27Å; V293-V339 HydrophobicContact CG2-CB 4.35Å; V293-V339 HydrophobicContact CG2-CG1 3.78Å; V293-S340 PolarHBondContact N-O 3.03Å; V293-V342 PolarHBondContact O-N 2.87Å; V293-I359 HydrophobicContact CB-CG1 4.48Å; V293-I359 HydrophobicContact CG1-CG1 4.32Å; V293-I359 HydrophobicContact CG2-CD1 4Å; V293-I359 HydrophobicContact CG2-CG1 3.96Å
294F80Confident66.2Low9 Ų949.5 Ų49.54%0.03927%0.271CS..EExtended strand (participates in β ladder)trans-91.8121.8178-58.2-73.1000110.2T273 C292 V342 V344 F358T273-F294 HydrophobicContact CG2-CD2 4.09Å; T273-F294 HydrophobicContact CG2-CE2 3.45Å; T273-F294 VanDerWaalsContact CG2-CE2 3.45Å; T273-F294 HydrophobicContact CG2-CZ 4.39Å; C292-F294 HydrophobicContact CB-CE1 4.1Å; C292-F294 HydrophobicContact CB-CE2 4.15Å; C292-F294 HydrophobicContact CB-CZ 3.84Å; F294-V342 WeakPolarHBondContact CA-O 3.45Å; F294-V342 HydrophobicContact CD1-CB 4.21Å; F294-V342 HydrophobicContact CD1-CG1 4.39Å; F294-V342 HydrophobicContact CE1-CB 4.43Å; F294-V342 HydrophobicContact CE1-CG1 4.46Å; F294-V344 HydrophobicContact CB-CG2 3.78Å; F294-V344 HydrophobicContact CD1-CG2 3.24Å; F294-V344 HydrophobicContact CE1-CG2 4.1Å; F294-V344 HydrophobicContact CG-CG2 3.85Å; F294-F358 HydrophobicContact CB-CB 4.22Å; F294-F358 PolarHBondContact N-O 3.19Å; F294-F358 PolarHBondContact O-N 2.88Å
295L77.7Confident67.8Low1 Ų146 Ų461%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-121.9148.9-176.8-60.1-179.2000111L266 V293 L299 L300 L303 A341 V342 V343 V344L266-L295 HydrophobicContact CD1-CD2 4.11Å; L266-L295 HydrophobicContact CD2-CD2 3.86Å; V293-L295 HydrophobicContact CG1-CD2 3.6Å; V293-L295 HydrophobicContact CG1-CG 3.97Å; L295-L299 HydrophobicContact CB-CD2 4.29Å; L295-L299 HydrophobicContact CD1-CD2 4.08Å; L295-L299 HydrophobicContact CD2-CD2 3.73Å; L295-L299 HydrophobicContact CG-CD2 4.24Å; L295-L300 HydrophobicContact CB-CB 4.39Å; L295-L300 HydrophobicContact CD1-CD1 4.34Å; L295-L303 HydrophobicContact CD1-CD1 4.13Å; L295-A341 HydrophobicContact CD1-CB 4.4Å; L295-V342 PolarHBondContact N-O 2.85Å; L295-V343 WeakPolarHBondContact O-CA 3.3Å; L295-V344 PolarHBondContact O-N 3.09Å; L295-V344 VanDerWaalsContact O-N 3.14Å
296S74Confident69Low11 Ų1148.6 Ų48.68%0.07724%0.237CC..  trans-67.4151.2167.481.60000109.6Q298 L299 L300 D354S296-Q298 PolarHBondContact O-N 3.01Å; S296-L299 PolarHBondContact O-N 2.79Å; S296-L299 WeakPolarHBondContact OG-CB 3.46Å; S296-L299 PolarHBondContact OG-N 2.71Å; S296-L299 VanDerWaalsContact OG-N 3.08Å; S296-L300 PolarHBondContact O-N 3.06Å; S296-D354 PolarHBondContact OG-O 2.89Å
297K67.9Low69.7Low141 Ų14144.5 Ų44.561%0.61322%0.222SC*.Hα-helixtrans-57.5-37177.8-174.6178.5177.9-178.70112L301 V343K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.4Å; K297-L301 PolarHBondContact O-N 3.25Å; K297-V343 HydrophobicContact CB-CG1 3.98Å
298Q66.4Low70.4Confident103 Ų10346.2 Ų46.248%0.48122%0.224SC..Hα-helixtrans-69.8-43.7179.1-61.5-174.39.900111.8S296 L301 R302S296-Q298 PolarHBondContact O-N 3.01Å; Q298-L301 PolarHBondContact O-N 3.48Å; Q298-R302 WeakPolarHBondContact O-CG 3.24Å; Q298-R302 PolarHBondContact O-N 2.86Å
299L70.4Confident70.6Confident9 Ų947.4 Ų47.45%0.04723%0.229CC..Hα-helixtrans-65.9-42179.8-170.5168.4000111.2L266 L295 S296 L301 R302 L303 D355L266-L299 HydrophobicContact CD1-CD1 4.15Å; L266-L299 HydrophobicContact CD1-CD2 3.82Å; L295-L299 HydrophobicContact CB-CD2 4.29Å; L295-L299 HydrophobicContact CD1-CD2 4.08Å; L295-L299 HydrophobicContact CD2-CD2 3.73Å; L295-L299 HydrophobicContact CG-CD2 4.24Å; S296-L299 PolarHBondContact O-N 2.79Å; S296-L299 WeakPolarHBondContact OG-CB 3.46Å; S296-L299 PolarHBondContact OG-N 2.71Å; S296-L299 VanDerWaalsContact OG-N 3.08Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 2.82Å; L299-R302 PolarHBondContact O-N 2.74Å; L299-L303 HydrophobicContact CD2-CD1 3.25Å; L299-L303 HydrophobicContact CD2-CG 3.94Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 2.99Å; L299-D355 WeakPolarHBondContact CD1-O 3.41Å
300L70.9Confident71Confident12 Ų1249.4 Ų49.46%0.06324%0.235CC..Hα-helixtrans-59.9-40.9175.3-177.3126.7000112.3L295 S296 L303 G304 L305 V343L295-L300 HydrophobicContact CB-CB 4.39Å; L295-L300 HydrophobicContact CD1-CD1 4.34Å; S296-L300 PolarHBondContact O-N 3.06Å; L300-L303 PolarHBondContact O-N 3.12Å; L300-G304 PolarHBondContact O-N 2.79Å; L300-G304 VanDerWaalsContact O-N 3.15Å; L300-L305 HydrophobicContact CD1-CB 4.41Å; L300-L305 WeakPolarHBondContact CD2-O 3.41Å; L300-L305 HydrophobicContact CG-CB 4.26Å; L300-L305 WeakPolarHBondContact CG-O 3.33Å; L300-L305 PolarHBondContact O-N 2.81Å; L300-V343 HydrophobicContact CB-CG2 4.33Å; L300-V343 HydrophobicContact CD1-CG2 3.67Å; L300-V343 HydrophobicContact CD2-CG2 3.94Å; L300-V343 HydrophobicContact CG-CG2 4.19Å
301L67.3Low71.2Confident122 Ų12249.1 Ų49.164%0.63923%0.233SC*.Hα-helixtrans-65.7-41.2175-71.5170.6000112.1K297 Q298 L299 L303 G304K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.4Å; K297-L301 PolarHBondContact O-N 3.25Å; Q298-L301 PolarHBondContact O-N 3.48Å; L299-L301 VanDerWaalsContact C-N 3.32Å; L299-L301 PolarHBondContact O-N 2.82Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 3.43Å; L301-G304 PolarHBondContact O-N 2.92Å; L301-G304 VanDerWaalsContact O-N 3.11Å
302R65Low71.5Confident156 Ų15652.5 Ų52.559%0.58925%0.246SC*.Hα-helixtrans-63-35.9175.3-72.4-175.9-170.7168.610.1112.6Q298 L299 G304 D355Q298-R302 WeakPolarHBondContact O-CG 3.24Å; Q298-R302 PolarHBondContact O-N 2.86Å; L299-R302 PolarHBondContact O-N 2.74Å; R302-G304 VanDerWaalsContact C-N 3.26Å; R302-G304 PolarHBondContact O-N 2.8Å; R302-D355 IonicContact CZ-OD1 3.62Å; R302-D355 IonicContact NH1-OD1 3.69Å; R302-D355 PolarHBondContact NH1-OD1 2.99Å; R302-D355 IonicContact NH1-OD2 3.48Å
303L68.3Low71.6Confident33 Ų3352.5 Ų52.517%0.17325%0.246CC..THydrogen-bonded Turntrans-78.5-8.7175.9-65.9175000113.4C264 L266 L295 L299 L300 L301 L305 M382C264-L303 HydrophobicContact CB-CD2 3.86Å; L266-L303 HydrophobicContact CD1-CD1 4.22Å; L295-L303 HydrophobicContact CD1-CD1 4.13Å; L299-L303 HydrophobicContact CD2-CD1 3.25Å; L299-L303 HydrophobicContact CD2-CG 3.94Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 2.99Å; L300-L303 PolarHBondContact O-N 3.12Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 3.43Å; L303-L305 HydrophobicContact CB-CD1 4.35Å; L303-L305 HydrophobicContact CB-CG 4.19Å; L303-L305 PolarHBondContact O-N 3.31Å; L303-M382 HydrophobicContact CB-CE 4.36Å; L303-M382 HydrophobicContact CD1-CE 3.68Å; L303-M382 HydrophobicContact CD1-SD 4.46Å; L303-M382 HydrophobicContact CD2-CE 4.18Å; L303-M382 HydrophobicContact CG-CE 4.31Å
304G62.8Low71.8Confident39 Ų3952.8 Ų52.840%0.40225%0.248SC..THydrogen-bonded Turntrans64.324.2-178.300000114.2L300 L301 R302 R384L300-G304 PolarHBondContact O-N 2.79Å; L300-G304 VanDerWaalsContact O-N 3.15Å; L301-G304 PolarHBondContact O-N 2.92Å; L301-G304 VanDerWaalsContact O-N 3.11Å; R302-G304 VanDerWaalsContact C-N 3.26Å; R302-G304 PolarHBondContact O-N 2.8Å; G304-R384 PolarHBondContact O-NH2 3.1Å
305L67.9Low71.6Confident8 Ų857 Ų574%0.04226%0.263CS..PPolyproline II helixtrans-90.9155.6179.3-67.9178.3000111.4L300 L303 E309 V311 A341 M382 R384L300-L305 HydrophobicContact CD1-CB 4.41Å; L300-L305 WeakPolarHBondContact CD2-O 3.41Å; L300-L305 HydrophobicContact CG-CB 4.26Å; L300-L305 WeakPolarHBondContact CG-O 3.33Å; L300-L305 PolarHBondContact O-N 2.81Å; L303-L305 HydrophobicContact CB-CD1 4.35Å; L303-L305 HydrophobicContact CB-CG 4.19Å; L303-L305 PolarHBondContact O-N 3.31Å; L305-E309 WeakPolarHBondContact CA-OE2 3.4Å; L305-V311 HydrophobicContact CD1-CG2 4.16Å; L305-V311 HydrophobicContact CD2-CG2 4.28Å; L305-A341 HydrophobicContact CD1-CB 4.26Å; L305-M382 HydrophobicContact CD1-CE 3.49Å; L305-M382 VanDerWaalsContact CD1-CE 3.49Å; L305-M382 HydrophobicContact CD1-SD 3.86Å; L305-M382 HydrophobicContact CG-CE 4.32Å; L305-R384 HydrophobicContact CD2-CG 4.08Å
306F65.9Low70.9Confident116 Ų11659.6 Ų59.651%0.50928%0.28SS..PPolyproline II helixtrans-93.9153169.3-64.2-75.7000111.5Y308 E309 C400F306-Y308 PolarHBondContact O-N 3.31Å; F306-E309 HydrophobicContact CB-CB 4.36Å; F306-E309 PolarHBondContact N-OE2 3.39Å; F306-E309 VanDerWaalsContact O-CB 3.25Å; F306-E309 WeakPolarHBondContact O-CB 3.47Å; F306-E309 PolarHBondContact O-N 3.16Å; F306-E309 VanDerWaalsContact O-N 3.16Å; F306-C400 HydrophobicContact CD2-CB 4.24Å; F306-C400 HydrophobicContact CE2-CB 4.21Å
307N69.1Low69.9Low72 Ų7264.7 Ų64.739%0.38531%0.311SS..THydrogen-bonded Turntrans-65.1132.5173.7-166.624.9000109.8E309 V342 V343N307-E309 VanDerWaalsContact C-N 3.32Å; N307-V342 WeakPolarHBondContact OD1-CA 3.47Å; N307-V343 HydrophobicContact CB-CG2 4.2Å; N307-V343 PolarHBondContact OD1-N 3.49Å
308Y70.2Confident68.7Low83 Ų8361.8 Ų61.833%0.32532%0.321SS..THydrogen-bonded Turntrans67.419.1-171.1-53.2-76.4000115.7V287 F306 A341 V342V287-Y308 HydrophobicContact CG1-CE1 4.44Å; V287-Y308 HydrophobicContact CG2-CE1 3.64Å; F306-Y308 PolarHBondContact O-N 3.31Å; Y308-A341 WeakPolarHBondContact CA-O 3.34Å; Y308-A341 PolarHBondContact N-O 3.11Å; Y308-V342 HydrophobicContact CD1-CG2 3.9Å; Y308-V342 HydrophobicContact CE1-CG1 4.18Å; Y308-V342 HydrophobicContact CE1-CG2 3.84Å
309E73.3Confident67Low40 Ų4060.9 Ų60.919%0.18734%0.339CS..EExtended strand (participates in β ladder)trans-71.8140.4171.8-167.4173.1173.800111L305 F306 N307 A341 R384L305-E309 WeakPolarHBondContact CA-OE2 3.4Å; F306-E309 HydrophobicContact CB-CB 4.36Å; F306-E309 PolarHBondContact N-OE2 3.39Å; F306-E309 VanDerWaalsContact O-CB 3.25Å; F306-E309 WeakPolarHBondContact O-CB 3.47Å; F306-E309 PolarHBondContact O-N 3.16Å; F306-E309 VanDerWaalsContact O-N 3.16Å; N307-E309 VanDerWaalsContact C-N 3.32Å; E309-A341 PolarHBondContact O-N 3.45Å; E309-R384 IonicContact OE1-CZ 3.21Å; E309-R384 IonicContact OE1-NH1 3.35Å; E309-R384 PolarHBondContact OE1-NH1 3.38Å; E309-R384 IonicContact OE2-NH1 2.74Å
310W75.6Confident65.2Low58 Ų5864 Ų6422%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-83.3131.9177.8-69.4113.2000111.9L338 W385 A403 L405 V440W310-L338 HydrophobicContact CB-CD1 4.24Å; W310-L338 HydrophobicContact CE3-CD2 4.23Å; W310-L338 HydrophobicContact CE3-CG 4.08Å; W310-W385 HydrophobicContact CB-CB 4.06Å; W310-W385 HydrophobicContact CB-CD2 4.32Å; W310-W385 HydrophobicContact CB-CE3 3.66Å; W310-W385 HydrophobicContact CB-CZ3 4.49Å; W310-W385 AromaticContact CD1-CE3 3.95Å; W310-W385 AromaticContact CD1-CZ3 3.96Å; W310-W385 AromaticContact CG-CE3 3.95Å; W310-W385 HydrophobicContact CG-CE3 3.95Å; W310-W385 HydrophobicContact CG-CZ3 4.32Å; W310-W385 WeakPolarHBondContact O-CB 3.44Å; W310-W385 PolarHBondContact O-N 2.93Å; W310-A403 PolarHBondContact NE1-O 3.48Å; W310-L405 HydrophobicContact CD2-CD1 4.05Å; W310-L405 HydrophobicContact CE3-CD1 4.14Å; W310-L405 HydrophobicContact CH2-CD1 3.77Å; W310-L405 HydrophobicContact CZ2-CD1 3.66Å; W310-L405 HydrophobicContact CZ3-CD1 4.01Å; W310-V440 HydrophobicContact CH2-CG2 3.53Å; W310-V440 HydrophobicContact CZ3-CG2 3.64Å
311V75.1Confident63.3Low5 Ų575.6 Ų75.63%0.0342%0.416CS..EExtended strand (participates in β ladder)trans-139.8138-169.7-179.80000110L305 L338 V339 A341 M382 K383L305-V311 HydrophobicContact CD1-CG2 4.16Å; L305-V311 HydrophobicContact CD2-CG2 4.28Å; V311-L338 CarbonylContact O-C 3.58Å; V311-V339 PolarHBondContact N-O 2.85Å; V311-V339 PolarHBondContact O-N 3.24Å; V311-V339 VanDerWaalsContact O-O 3.09Å; V311-A341 HydrophobicContact CG2-CB 4.41Å; V311-M382 HydrophobicContact CB-CG 4.47Å; V311-M382 HydrophobicContact CG1-CB 4.4Å; V311-M382 HydrophobicContact CG1-CG 3.07Å; V311-M382 HydrophobicContact CG1-SD 3.77Å; V311-K383 CarbonylContact C-O 3.57Å; V311-K383 WeakPolarHBondContact CG1-O 3.47Å
312R78.9Confident61.5Low79 Ų7972.8 Ų72.830%0.29842%0.417SS..EExtended strand (participates in β ladder)trans-88.9125.1170.6-69.1-175.2-175.2157.42.9110.3R337 L338 K383R312-R337 CarbonylContact C-O 3.56Å; R312-R337 VanDerWaalsContact CA-O 3.28Å; R312-R337 WeakPolarHBondContact CA-O 3.24Å; R312-L338 HydrophobicContact CG-CD1 3.94Å; R312-K383 HydrophobicContact CB-CB 4.42Å; R312-K383 PolarHBondContact N-O 2.95Å; R312-K383 PolarHBondContact O-N 2.65Å
313L79.8Confident59.7Low0 Ų072.3 Ų72.30%043%0.434CS..EExtended strand (participates in β ladder)trans-104.9138.1173.4-64.3175.9000110.6V293 E336 R337 V339 I359 L363 M367 R381 M382V293-L313 HydrophobicContact CG2-CD1 3.26Å; V293-L313 HydrophobicContact CG2-CD2 4.42Å; V293-L313 HydrophobicContact CG2-CG 4.27Å; L313-E336 WeakPolarHBondContact O-CA 3.21Å; L313-R337 PolarHBondContact N-O 3.28Å; L313-R337 PolarHBondContact O-N 3.23Å; L313-V339 HydrophobicContact CB-CG2 4.4Å; L313-V339 HydrophobicContact CD1-CB 3.99Å; L313-V339 HydrophobicContact CD1-CG1 4.28Å; L313-V339 HydrophobicContact CD1-CG2 3.63Å; L313-V339 HydrophobicContact CG-CB 4.41Å; L313-V339 HydrophobicContact CG-CG2 4.04Å; L313-I359 HydrophobicContact CD1-CD1 3.75Å; L313-L363 HydrophobicContact CD1-CD2 4.08Å; L313-M367 HydrophobicContact CB-CE 3.59Å; L313-M367 HydrophobicContact CB-SD 4.03Å; L313-M367 HydrophobicContact CD1-SD 4.29Å; L313-R381 WeakPolarHBondContact CA-O 3.29Å; L313-M382 HydrophobicContact CD2-CB 4.03Å; L313-M382 HydrophobicContact CD2-CG 3.76Å
314S80.8Confident57.9Low11 Ų1174 Ų748%0.07746%0.459CS..EExtended strand (participates in β ladder)trans-144.9154.7169.458.80000111.4R381S314-R381 PolarHBondContact N-O 2.94Å; S314-R381 WeakPolarHBondContact O-CA 3.34Å; S314-R381 WeakPolarHBondContact O-CB 3.46Å; S314-R381 PolarHBondContact O-N 3.49Å
315R75.5Confident56.2Low98 Ų9881.6 Ų81.637%0.3748%0.484SS..PPolyproline II helixtrans-85.7133.5173.1-176.6178.5173.2160.60.3109V317 C334 E371 L380R315-V317 PolarHBondContact O-N 3.03Å; R315-C334 HydrophobicContact CB-CB 4.16Å; R315-E371 IonicContact CZ-OE2 3.88Å; R315-E371 IonicContact NH1-OE1 3.76Å; R315-E371 IonicContact NH1-OE2 3.59Å; R315-E371 PolarHBondContact NH1-OE2 3.4Å; R315-L380 HydrophobicContact CB-CD2 4.24Å
316P63.2Low54.1Low55 Ų5590.4 Ų90.436%0.35753%0.525SS..PPolyproline II helixtrans-67123.3172.626.3-31.5000110.1G318 T379P316-G318 PolarHBondContact O-N 3.2Å; P316-T379 VanDerWaalsContact CD-O 3.29Å; P316-T379 WeakPolarHBondContact CD-O 3.49Å
317V53.2Low52.2Low119 Ų11991 Ų9172%0.72154%0.539SS*.PPolyproline II helixtrans-66.7128.4169.1-175.90000107.3R315 G319R315-V317 PolarHBondContact O-N 3.03Å; V317-G319 PolarHBondContact O-N 3.21Å
318G42.6Very low50.2Low80 Ų8097 Ų9783%0.82556%0.564SS**PPolyproline II helixtrans-50.6127.6-15900000116.3P316P316-G318 PolarHBondContact O-N 3.2Å
319G30.4Very low48.3Very low84 Ų8498.7 Ų98.787%0.86658%0.583SS**  trans-138.386.4159.800000108.1V317V317-G319 PolarHBondContact O-N 3.21Å
320G32.4Very low46.3Very low75 Ų75102.1 Ų102.177%0.77361%0.611SS**  trans177.965.7-17700000114.6
321R32Very low44.4Very low254 Ų254102.7 Ų102.796%0.95863%0.629SS**  trans-155.8143.5152.1-105.3175.4-170.5-161.91.8108.7
322G29.7Very low42.9Very low63 Ų63104.9 Ų104.965%0.64964%0.643SS**  trans-63.4173.9-171.300000115G324G322-G324 PolarHBondContact O-N 2.86Å
323P27.9Very low41.3Very low146 Ų146106.2 Ų106.295%0.94866%0.662SS**SBendtrans-76.9113-169.731.5-31000110.5
324G30.4Very low40.1Very low68 Ų68108 Ų10870%0.70167%0.673SS**SBendtrans150.5117.5171.200000111.9G322G322-G324 PolarHBondContact O-N 2.86Å
325E26.8Very low39.4Very low199 Ų199113.1 Ų113.193%0.9369%0.691SS**  trans88.491.2175.7-58-175.3165.500116.2
326E24Very low39.1Very low193 Ų193113 Ų11390%0.90270%0.695SS**  trans-76.8109.5167.9-66.9176.5169.200110.4
327V26.3Very low39.6Very low130 Ų130111.2 Ų111.279%0.78868%0.681SS**  trans-134.3101.7150.8-1780000106.9V329V327-V329 PolarHBondContact O-N 3.39Å; V327-V329 VanDerWaalsContact O-N 3.15Å
328E25.8Very low40.8Very low196 Ų196106.1 Ų106.192%0.91665%0.65SS**  trans-66.3104.9176.1-70.7-175.6149.100110.5
329V30.4Very low42.4Very low119 Ų119102.3 Ų102.372%0.72161%0.61SS**  trans-104.8109.9159.3-177.50000107.1V327 A331V327-V329 PolarHBondContact O-N 3.39Å; V327-V329 VanDerWaalsContact O-N 3.15Å; V329-A331 PolarHBondContact O-N 3.04Å
330S31.1Very low44.4Very low112 Ų11299 Ų9978%0.78357%0.574SS**  trans-66.3113.7-177.447.90000111.6
331A36.9Very low46.2Very low71 Ų7195.5 Ų95.559%0.58754%0.538SS*.  trans-68.2142.417100000110.7V329V329-A331 PolarHBondContact O-N 3.04Å
332P43Very low48.1Very low51 Ų5183.8 Ų83.833%0.33150%0.495SS..  trans-64.6153.8-179.626.2-33.2000112.4C334 E371P332-C334 PolarHBondContact O-N 3.38Å; P332-C334 VanDerWaalsContact O-N 3.07Å; P332-E371 HydrophobicContact CG-CG 4.15Å; P332-E371 WeakPolarHBondContact CG-OE1 3.44Å
333P45.7Very low49.9Very low107 Ų10782.6 Ų82.670%0.69548%0.475SS*.  trans-67.7107.7-176.127.5-33.8000111.2R335P333-R335 PolarHBondContact O-N 3.42Å
334C54.6Low51.6Low36 Ų3677.1 Ų77.124%0.24344%0.439CS..PPolyproline II helixtrans-71124.9176.3-68.40000111R315 P332R315-C334 HydrophobicContact CB-CB 4.16Å; P332-C334 PolarHBondContact O-N 3.38Å; P332-C334 VanDerWaalsContact O-N 3.07Å
335R65.3Low52.8Low120 Ų12080.2 Ų80.245%0.45344%0.439SS..PPolyproline II helixtrans-78.3137177.3-64.2-171.1-176.3-1757.5110.9P333 R337 M367 E369 Q443P333-R335 PolarHBondContact O-N 3.42Å; R335-R337 PolarHBondContact O-N 3.41Å; R335-M367 PolarHBondContact N-O 3.09Å; R335-E369 IonicContact CZ-OE1 3.42Å; R335-E369 IonicContact NE-OE1 3.67Å; R335-E369 PolarHBondContact NE-OE1 3.45Å; R335-E369 IonicContact NH2-OE1 3.54Å; R335-E369 PolarHBondContact NH2-OE1 3.4Å; R335-Q443 PolarHBondContact NH1-O 3.43Å
336E70.2Confident53.8Low95 Ų9572.8 Ų72.844%0.44441%0.406SS..PPolyproline II helixtrans-71.4124166.6-58.7-160.5149.300108.7L313 K383L313-E336 WeakPolarHBondContact O-CA 3.21Å; E336-K383 IonicContact OE1-NZ 3.72Å; E336-K383 PolarHBondContact OE1-NZ 3.18Å
337R73.9Confident54.7Low17 Ų1766.4 Ų66.46%0.06438%0.382CS..EExtended strand (participates in β ladder)trans-117.3138.3-177.8-165.9175-175.3930.6111.7N291 R312 L313 R335 V339 N366 M367 D445N291-R337 PolarHBondContact OD1-NE 2.9Å; N291-R337 PolarHBondContact OD1-NH2 3.38Å; R312-R337 CarbonylContact C-O 3.56Å; R312-R337 VanDerWaalsContact CA-O 3.28Å; R312-R337 WeakPolarHBondContact CA-O 3.24Å; L313-R337 PolarHBondContact N-O 3.28Å; L313-R337 PolarHBondContact O-N 3.23Å; R335-R337 PolarHBondContact O-N 3.41Å; R337-V339 HydrophobicContact CB-CG2 4.46Å; R337-V339 HydrophobicContact CG-CG2 4.32Å; R337-N366 VanDerWaalsContact NH1-CB 3.3Å; R337-M367 HydrophobicContact CB-CG 3.83Å; R337-M367 HydrophobicContact CG-CG 4.46Å; R337-D445 IonicContact CZ-OD1 2.59Å; R337-D445 IonicContact CZ-OD2 2.68Å; R337-D445 IonicContact NH1-OD1 3.74Å; R337-D445 PolarHBondContact NH1-OD1 3.46Å; R337-D445 IonicContact NH1-OD2 2.64Å; R337-D445 PolarHBondContact NH1-OD2 2.94Å; R337-D445 VanDerWaalsContact NH2-CG 3.25Å; R337-D445 IonicContact NH2-OD1 2.76Å; R337-D445 IonicContact NH2-OD2 3Å; R337-D445 PolarHBondContact NH2-OD2 3.44Å
338L76.6Confident55.3Low12 Ų1265.2 Ų65.26%0.06338%0.377CS..EExtended strand (participates in β ladder)trans-86.1127.9176-168.772.9000110.6W310 V311 R312 W385 L405 A488W310-L338 HydrophobicContact CB-CD1 4.24Å; W310-L338 HydrophobicContact CE3-CD2 4.23Å; W310-L338 HydrophobicContact CE3-CG 4.08Å; V311-L338 CarbonylContact O-C 3.58Å; R312-L338 HydrophobicContact CG-CD1 3.94Å; L338-W385 HydrophobicContact CD1-CB 3.56Å; L338-W385 HydrophobicContact CD1-CD2 3.96Å; L338-W385 HydrophobicContact CD1-CG 3.44Å; L338-W385 VanDerWaalsContact CD1-CG 3.44Å; L338-W385 HydrophobicContact CD2-CD2 4.22Å; L338-L405 HydrophobicContact CD2-CD1 3.53Å; L338-L405 HydrophobicContact CD2-CD2 3.36Å; L338-L405 HydrophobicContact CD2-CG 3.95Å; L338-A488 HydrophobicContact CB-CB 4.21Å
339V76.6Confident55.8Low0 Ų064 Ų640%037%0.371CS..EExtended strand (participates in β ladder)trans-142149-171-162.80000109.1N291 V293 V311 L313 R337 L363N291-V339 WeakPolarHBondContact O-CG1 3.49Å; V293-V339 HydrophobicContact CG2-CB 4.35Å; V293-V339 HydrophobicContact CG2-CG1 3.78Å; V311-V339 PolarHBondContact N-O 2.85Å; V311-V339 PolarHBondContact O-N 3.24Å; V311-V339 VanDerWaalsContact O-O 3.09Å; L313-V339 HydrophobicContact CB-CG2 4.4Å; L313-V339 HydrophobicContact CD1-CB 3.99Å; L313-V339 HydrophobicContact CD1-CG1 4.28Å; L313-V339 HydrophobicContact CD1-CG2 3.63Å; L313-V339 HydrophobicContact CG-CB 4.41Å; L313-V339 HydrophobicContact CG-CG2 4.04Å; R337-V339 HydrophobicContact CB-CG2 4.46Å; R337-V339 HydrophobicContact CG-CG2 4.32Å; V339-L363 HydrophobicContact CG1-CD1 3.84Å; V339-L363 HydrophobicContact CG1-CD2 4.2Å; V339-L363 HydrophobicContact CG2-CD1 3.78Å; V339-L363 HydrophobicContact CG2-CD2 4.21Å
340S72.4Confident56.4Low14 Ų1460.6 Ų60.610%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-94.2137.7175650000111.6N291 C292 V293N291-S340 PolarHBondContact O-N 2.89Å; N291-S340 PolarHBondContact O-OG 2.97Å; C292-S340 CarbonylContact C-O 3.54Å; C292-S340 WeakPolarHBondContact CA-O 3.36Å; C292-S340 PolarHBondContact SG-OG 3.18Å; V293-S340 PolarHBondContact N-O 3.03Å
341A70.9Confident56.6Low3 Ų358.8 Ų58.83%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-88.2119.7176.500000110.5L295 L305 Y308 E309 V311L295-A341 HydrophobicContact CD1-CB 4.4Å; L305-A341 HydrophobicContact CD1-CB 4.26Å; Y308-A341 WeakPolarHBondContact CA-O 3.34Å; Y308-A341 PolarHBondContact N-O 3.11Å; E309-A341 PolarHBondContact O-N 3.45Å; V311-A341 HydrophobicContact CG2-CB 4.41Å
342V72.6Confident56.9Low8 Ų861.7 Ų61.75%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-123.1131.4-174.9-1780000111V287 C292 V293 F294 L295 N307 Y308V287-V342 HydrophobicContact CG1-CG2 4.07Å; C292-V342 HydrophobicContact CB-CG2 4.15Å; V293-V342 PolarHBondContact O-N 2.87Å; F294-V342 WeakPolarHBondContact CA-O 3.45Å; F294-V342 HydrophobicContact CD1-CB 4.21Å; F294-V342 HydrophobicContact CD1-CG1 4.39Å; F294-V342 HydrophobicContact CE1-CB 4.43Å; F294-V342 HydrophobicContact CE1-CG1 4.46Å; L295-V342 PolarHBondContact N-O 2.85Å; N307-V342 WeakPolarHBondContact OD1-CA 3.47Å; Y308-V342 HydrophobicContact CD1-CG2 3.9Å; Y308-V342 HydrophobicContact CE1-CG1 4.18Å; Y308-V342 HydrophobicContact CE1-CG2 3.84Å
343V65.6Low57.2Low38 Ų3863.2 Ų63.223%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-77.7132.6174.3-178.80000110.6L295 K297 L300 N307L295-V343 WeakPolarHBondContact O-CA 3.3Å; K297-V343 HydrophobicContact CB-CG1 3.98Å; L300-V343 HydrophobicContact CB-CG2 4.33Å; L300-V343 HydrophobicContact CD1-CG2 3.67Å; L300-V343 HydrophobicContact CD2-CG2 3.94Å; L300-V343 HydrophobicContact CG-CG2 4.19Å; N307-V343 HydrophobicContact CB-CG2 4.2Å; N307-V343 PolarHBondContact OD1-N 3.49Å
344V65.4Low57.5Low31 Ų3161.5 Ų61.519%0.18833%0.325CS..  trans-123.7133.1172.9-1770000110.6F294 L295 L346F294-V344 HydrophobicContact CB-CG2 3.78Å; F294-V344 HydrophobicContact CD1-CG2 3.24Å; F294-V344 HydrophobicContact CE1-CG2 4.1Å; F294-V344 HydrophobicContact CG-CG2 3.85Å; L295-V344 PolarHBondContact O-N 3.09Å; L295-V344 VanDerWaalsContact O-N 3.14Å; V344-L346 HydrophobicContact CG1-CD2 4.48Å; V344-L346 PolarHBondContact O-N 2.81Å; V344-L346 VanDerWaalsContact O-N 3.16Å
345D54.2Low58Low133 Ų13364.3 Ų64.371%0.71134%0.337SS*.  trans-75.996.3166.5-66.6-29.8000108
346L48.6Very low58.4Low43 Ų4359.1 Ų59.123%0.22532%0.319CS..  trans-69.5143.7-176-68.1159.8000111.5V344 F358V344-L346 HydrophobicContact CG1-CD2 4.48Å; V344-L346 PolarHBondContact O-N 2.81Å; V344-L346 VanDerWaalsContact O-N 3.16Å; L346-F358 HydrophobicContact CD1-CE2 3.82Å; L346-F358 HydrophobicContact CD2-CD2 4.06Å; L346-F358 HydrophobicContact CD2-CE2 3.63Å; L346-F358 HydrophobicContact CD2-CZ 4.44Å; L346-F358 HydrophobicContact CG-CE2 4.4Å
347S42.5Very low58.5Low58 Ų5854.6 Ų54.641%0.40630%0.298SS..  trans-65.9153171.248.80000111.7E349 L350S347-E349 PolarHBondContact O-N 2.76Å; S347-L350 PolarHBondContact O-N 3.3Å
348P38.6Very low58.7Low105 Ų10554 Ų5468%0.68230%0.296SS*.THydrogen-bonded Turntrans-62.7-12.3-172.423.2-34000115.7L350 T351P348-L350 VanDerWaalsContact C-N 3.34Å; P348-T351 PolarHBondContact O-OG1 3.23Å
349E35.8Very low58.8Low171 Ų17153.5 Ų53.580%0.79929%0.293SS*.THydrogen-bonded Turntrans-77.9-17.7175.2-65.3178-178.400113.5S347S347-E349 PolarHBondContact O-N 2.76Å
350L43.6Very low58.8Low48 Ų4853.5 Ų53.525%0.25129%0.293SS..SBendtrans-109.3-1.7-177.3-74.3159.6000113.1W276 S347 P348 I352 F358W276-L350 HydrophobicContact CH2-CD1 4.27Å; W276-L350 HydrophobicContact CZ2-CD1 3.6Å; S347-L350 PolarHBondContact O-N 3.3Å; P348-L350 VanDerWaalsContact C-N 3.34Å; L350-I352 PolarHBondContact O-N 2.88Å; L350-I352 VanDerWaalsContact O-N 3.07Å; L350-F358 HydrophobicContact CD2-CE1 4.19Å; L350-F358 HydrophobicContact CD2-CZ 4.05Å
351T36.4Very low58.9Low73 Ų7353.2 Ų53.245%0.44829%0.291SS..THydrogen-bonded Turntrans-68-1.5177.6510000113.7P348 H353P348-T351 PolarHBondContact O-OG1 3.23Å; T351-H353 PolarHBondContact O-N 3.42Å
352I42Very low59.2Low132 Ų13253.3 Ų53.368%0.67729%0.292SS*.THydrogen-bonded Turntrans-74.5-14-178.7-55.2174.3000111.6L350L350-I352 PolarHBondContact O-N 2.88Å; L350-I352 VanDerWaalsContact O-N 3.07Å
353H49Very low59.5Low84 Ų8452.9 Ų52.939%0.38929%0.289SS..  trans-134.179.3179.8-60.3-61.6000112.2R269 T351 D355 V356R269-H353 PolarHBondContact NH1-CD2 3.01Å; R269-H353 PolarHBondContact NH1-NE2 3.45Å; R269-H353 PolarHBondContact NH2-CD2 3.24Å; R269-H353 PolarHBondContact NH2-NE2 2.58Å; T351-H353 PolarHBondContact O-N 3.42Å; H353-D355 PolarHBondContact O-N 3.38Å; H353-V356 HydrophobicContact CB-CB 4.15Å; H353-V356 HydrophobicContact CB-CG2 3.86Å; H353-V356 PolarHBondContact O-N 3.33Å
354D53.8Low60.1Low71 Ų7151.3 Ų51.338%0.3828%0.279SS..THydrogen-bonded Turntrans-60-15.5176.9-75.6-30.5000114S296S296-D354 PolarHBondContact OG-O 2.89Å
355D63.6Low60.7Low94 Ų9450.4 Ų50.450%0.50327%0.273SS..THydrogen-bonded Turntrans-1023.3-174-64.3-18.2000114.8L299 R302 H353L299-D355 WeakPolarHBondContact CD1-O 3.41Å; R302-D355 IonicContact CZ-OD1 3.62Å; R302-D355 IonicContact NH1-OD1 3.69Å; R302-D355 PolarHBondContact NH1-OD1 2.99Å; R302-D355 IonicContact NH1-OD2 3.48Å; H353-D355 PolarHBondContact O-N 3.38Å
356V73.3Confident61.8Low11 Ų1144.6 Ų44.67%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-111.5127.6-176.1179.30000111.5D267 R269 H353D267-V356 HydrophobicContact CB-CG2 4.42Å; D267-V356 CarbonylContact O-C 3.55Å; D267-V356 WeakPolarHBondContact O-CA 3.37Å; R269-V356 HydrophobicContact CB-CG1 4.1Å; R269-V356 HydrophobicContact CG-CG1 3.72Å; H353-V356 HydrophobicContact CB-CB 4.15Å; H353-V356 HydrophobicContact CB-CG2 3.86Å; H353-V356 PolarHBondContact O-N 3.33Å
357G73.4Confident63Low0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-83.6162.2170.100000112.9D267 V268 R269D267-G357 PolarHBondContact O-N 3.34Å; V268-G357 CarbonylContact C-O 3.37Å; V268-G357 VanDerWaalsContact CA-O 3.22Å; V268-G357 WeakPolarHBondContact CA-O 3.4Å; V268-G357 WeakPolarHBondContact CG1-O 3.42Å; R269-G357 PolarHBondContact N-O 3.49Å
358F77.6Confident64.4Low5 Ų540.2 Ų40.22%0.02221%0.214CC..EExtended strand (participates in β ladder)trans-125.1139.6179.4-56.7-79.8000112.3R269 V271 W276 F294 L346 L350R269-F358 HydrophobicContact CB-CD1 4.05Å; R269-F358 HydrophobicContact CB-CE1 4.27Å; R269-F358 WeakPolarHBondContact O-CA 3.26Å; V271-F358 HydrophobicContact CG2-CD1 3.57Å; V271-F358 HydrophobicContact CG2-CE1 4.17Å; V271-F358 HydrophobicContact CG2-CG 4.49Å; W276-F358 HydrophobicContact CH2-CB 3.83Å; W276-F358 AromaticContact CH2-CD1 3.56Å; W276-F358 HydrophobicContact CH2-CD1 3.56Å; W276-F358 AromaticContact CH2-CD2 3.86Å; W276-F358 HydrophobicContact CH2-CD2 3.86Å; W276-F358 AromaticContact CH2-CE1 3.97Å; W276-F358 HydrophobicContact CH2-CE1 3.97Å; W276-F358 HydrophobicContact CH2-CE2 4.27Å; W276-F358 AromaticContact CH2-CG 3.47Å; W276-F358 HydrophobicContact CH2-CG 3.47Å; W276-F358 VanDerWaalsContact CH2-CG 3.47Å; W276-F358 HydrophobicContact CH2-CZ 4.31Å; W276-F358 HydrophobicContact CZ3-CB 3.46Å; W276-F358 VanDerWaalsContact CZ3-CB 3.46Å; W276-F358 HydrophobicContact CZ3-CD1 4.13Å; W276-F358 AromaticContact CZ3-CD2 3.93Å; W276-F358 HydrophobicContact CZ3-CD2 3.93Å; W276-F358 AromaticContact CZ3-CG 3.58Å; W276-F358 HydrophobicContact CZ3-CG 3.58Å; F294-F358 HydrophobicContact CB-CB 4.22Å; F294-F358 PolarHBondContact N-O 3.19Å; F294-F358 PolarHBondContact O-N 2.88Å; L346-F358 HydrophobicContact CD1-CE2 3.82Å; L346-F358 HydrophobicContact CD2-CD2 4.06Å; L346-F358 HydrophobicContact CD2-CE2 3.63Å; L346-F358 HydrophobicContact CD2-CZ 4.44Å; L346-F358 HydrophobicContact CG-CE2 4.4Å; L350-F358 HydrophobicContact CD2-CE1 4.19Å; L350-F358 HydrophobicContact CD2-CZ 4.05Å
359I79.8Confident65.6Low1 Ų139.8 Ų39.81%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-132.6148.2-176.7-79.5-176.8000110.2V268 R269 V270 V271 V293 L313 L363 L380V268-I359 HydrophobicContact CB-CD1 4.33Å; V268-I359 HydrophobicContact CG1-CB 3.59Å; V268-I359 HydrophobicContact CG1-CD1 3.57Å; V268-I359 HydrophobicContact CG1-CG1 3.45Å; V268-I359 VanDerWaalsContact CG1-CG1 3.45Å; V268-I359 HydrophobicContact CG2-CD1 4.13Å; R269-I359 PolarHBondContact O-N 2.99Å; R269-I359 VanDerWaalsContact O-N 3.11Å; V270-I359 CarbonylContact C-O 3.56Å; V270-I359 WeakPolarHBondContact CA-O 3.47Å; V271-I359 PolarHBondContact N-O 3.47Å; V271-I359 VanDerWaalsContact O-O 3.14Å; V293-I359 HydrophobicContact CB-CG1 4.48Å; V293-I359 HydrophobicContact CG1-CG1 4.32Å; V293-I359 HydrophobicContact CG2-CD1 4Å; V293-I359 HydrophobicContact CG2-CG1 3.96Å; L313-I359 HydrophobicContact CD1-CD1 3.75Å; I359-L363 HydrophobicContact CB-CD2 4.25Å; I359-L363 HydrophobicContact CD1-CD2 3.74Å; I359-L363 HydrophobicContact CG1-CD2 3.95Å; I359-L363 HydrophobicContact CG2-CB 3.81Å; I359-L363 HydrophobicContact CG2-CD2 3.35Å; I359-L363 HydrophobicContact CG2-CG 4.15Å; I359-L380 HydrophobicContact CD1-CD1 3.45Å; I359-L380 VanDerWaalsContact CD1-CD1 3.45Å
360S76Confident66.7Low1 Ų132.8 Ų32.81%0.00718%0.177CC..  trans-68.9150.2173.774.10000112.9V271 T273 T362 L363 W364V271-S360 WeakPolarHBondContact O-CA 3.29Å; T273-S360 VanDerWaalsContact CG2-CB 3.49Å; S360-T362 PolarHBondContact O-N 3.34Å; S360-L363 PolarHBondContact O-N 2.9Å; S360-L363 VanDerWaalsContact OG-CB 3.26Å; S360-L363 WeakPolarHBondContact OG-CB 3.42Å; S360-L363 PolarHBondContact OG-N 2.61Å; S360-W364 PolarHBondContact O-N 2.89Å
361A74.9Confident67.8Low7 Ų731.9 Ų31.96%0.05817%0.171CC..Hα-helixtrans-60-34.3172.400000112.2V270 W364 F365 L373V270-A361 HydrophobicContact CG1-CB 4.03Å; A361-W364 PolarHBondContact O-N 3.16Å; A361-F365 WeakPolarHBondContact O-CB 2.94Å; A361-F365 PolarHBondContact O-N 3.26Å; A361-L373 HydrophobicContact CB-CD2 4.42Å
362T76.9Confident69Low5 Ų530.7 Ų30.73%0.03116%0.164CC..Hα-helixtrans-63.7-45.7175.9-370000111.9D290 S360 F365 N366 T448 P509D290-T362 HydrophobicContact CB-CG2 4.46Å; D290-T362 PolarHBondContact OD1-OG1 2.96Å; S360-T362 PolarHBondContact O-N 3.34Å; T362-F365 PolarHBondContact O-N 2.83Å; T362-N366 WeakPolarHBondContact O-CB 3.47Å; T362-N366 VanDerWaalsContact O-CG 3.26Å; T362-N366 PolarHBondContact O-N 2.79Å; T362-N366 PolarHBondContact O-ND2 2.91Å; T362-T448 HydrophobicContact CG2-CG2 3.7Å; T362-P509 HydrophobicContact CG2-CG 4.18Å
363L78.7Confident70.1Confident0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-65-44.7177.4-170.6100.1000110.9D290 L313 V339 I359 S360 F365 N366 M367D290-L363 WeakPolarHBondContact O-CB 3.05Å; D290-L363 WeakPolarHBondContact O-CD1 3.32Å; L313-L363 HydrophobicContact CD1-CD2 4.08Å; V339-L363 HydrophobicContact CG1-CD1 3.84Å; V339-L363 HydrophobicContact CG1-CD2 4.2Å; V339-L363 HydrophobicContact CG2-CD1 3.78Å; V339-L363 HydrophobicContact CG2-CD2 4.21Å; I359-L363 HydrophobicContact CB-CD2 4.25Å; I359-L363 HydrophobicContact CD1-CD2 3.74Å; I359-L363 HydrophobicContact CG1-CD2 3.95Å; I359-L363 HydrophobicContact CG2-CB 3.81Å; I359-L363 HydrophobicContact CG2-CD2 3.35Å; I359-L363 HydrophobicContact CG2-CG 4.15Å; S360-L363 PolarHBondContact O-N 2.9Å; S360-L363 VanDerWaalsContact OG-CB 3.26Å; S360-L363 WeakPolarHBondContact OG-CB 3.42Å; S360-L363 PolarHBondContact OG-N 2.61Å; L363-F365 VanDerWaalsContact C-N 3.32Å; L363-F365 PolarHBondContact O-N 3.44Å; L363-N366 PolarHBondContact O-N 3.44Å; L363-M367 HydrophobicContact CD2-SD 3.86Å; L363-M367 HydrophobicContact CG-SD 4.19Å; L363-M367 VanDerWaalsContact O-CG 3.32Å; L363-M367 WeakPolarHBondContact O-CG 3.38Å; L363-M367 PolarHBondContact O-N 2.78Å
364W78.1Confident70.7Confident5 Ų522.3 Ų22.32%0.01913%0.125CC..Hα-helixtrans-56.4-49.4176.5177.5-94.7000111V270 S360 A361 N366 M367 T368 T372 L373 P374 C378 L380V270-W364 HydrophobicContact CG1-CB 4.24Å; V270-W364 HydrophobicContact CG2-CB 3.99Å; V270-W364 HydrophobicContact CG2-CD2 3.91Å; V270-W364 HydrophobicContact CG2-CE3 3.94Å; V270-W364 HydrophobicContact CG2-CG 3.92Å; S360-W364 PolarHBondContact O-N 2.89Å; A361-W364 PolarHBondContact O-N 3.16Å; W364-N366 VanDerWaalsContact C-N 3.35Å; W364-N366 PolarHBondContact O-N 2.85Å; W364-M367 PolarHBondContact O-N 2.82Å; W364-T368 HydrophobicContact CD2-CG2 4.25Å; W364-T368 HydrophobicContact CH2-CG2 4.3Å; W364-T368 HydrophobicContact CZ2-CG2 3.87Å; W364-T368 PolarHBondContact O-N 2.93Å; W364-T368 PolarHBondContact O-OG1 3.14Å; W364-T372 PolarHBondContact NE1-O 3.47Å; W364-L373 HydrophobicContact CB-CD2 4.49Å; W364-L373 HydrophobicContact CG-CD2 4.15Å; W364-P374 HydrophobicContact CD2-CG 4.4Å; W364-P374 VanDerWaalsContact CE2-CD 3.42Å; W364-P374 HydrophobicContact CE3-CG 4.5Å; W364-P374 HydrophobicContact CH2-CG 3.86Å; W364-P374 HydrophobicContact CZ2-CG 3.74Å; W364-P374 HydrophobicContact CZ3-CG 4.23Å; W364-C378 HydrophobicContact CH2-CB 4.39Å; W364-C378 HydrophobicContact CZ3-CB 4.48Å; W364-L380 HydrophobicContact CZ3-CD2 4.07Å
365F77.4Confident70.9Confident11 Ų1122.9 Ų22.95%0.04813%0.131CC..Hα-helixtrans-59-45.1178.6179.5-85000112.1A361 T362 L363 M367 T368 E369 G370 I446 P507 P509 N580A361-F365 WeakPolarHBondContact O-CB 2.94Å; A361-F365 PolarHBondContact O-N 3.26Å; T362-F365 PolarHBondContact O-N 2.83Å; L363-F365 VanDerWaalsContact C-N 3.32Å; L363-F365 PolarHBondContact O-N 3.44Å; F365-M367 VanDerWaalsContact C-N 3.27Å; F365-M367 PolarHBondContact O-N 2.94Å; F365-T368 PolarHBondContact O-N 3.48Å; F365-E369 WeakPolarHBondContact O-CA 3.48Å; F365-E369 PolarHBondContact O-N 2.75Å; F365-G370 PolarHBondContact O-N 2.95Å; F365-I446 HydrophobicContact CD1-CD1 4.14Å; F365-I446 HydrophobicContact CD1-CG1 4.39Å; F365-I446 HydrophobicContact CE1-CB 4.36Å; F365-I446 HydrophobicContact CE1-CD1 3.23Å; F365-I446 HydrophobicContact CE1-CG1 3.75Å; F365-I446 HydrophobicContact CZ-CD1 3.65Å; F365-P507 HydrophobicContact CE2-CB 4.08Å; F365-P507 HydrophobicContact CE2-CG 4.27Å; F365-P507 HydrophobicContact CZ-CB 4.17Å; F365-P507 HydrophobicContact CZ-CG 3.99Å; F365-P507 WeakPolarHBondContact CZ-O 3.44Å; F365-P509 HydrophobicContact CB-CB 3.8Å; F365-P509 HydrophobicContact CB-CG 4.48Å; F365-P509 HydrophobicContact CD1-CB 4.49Å; F365-P509 HydrophobicContact CD1-CG 4.4Å; F365-P509 HydrophobicContact CD2-CB 4.31Å; F365-P509 HydrophobicContact CG-CB 3.94Å; F365-P509 HydrophobicContact CG-CG 4.33Å; F365-N580 HydrophobicContact CD2-CB 3.82Å; F365-N580 HydrophobicContact CE2-CB 3.79Å
366N78.6Confident70.8Confident11 Ų1126.6 Ų26.66%0.05914%0.142CC..Hα-helixtrans-71.9-19.8-179.7-67.6-26.3000113.1R337 T362 L363 W364 I446R337-N366 VanDerWaalsContact NH1-CB 3.3Å; T362-N366 WeakPolarHBondContact O-CB 3.47Å; T362-N366 VanDerWaalsContact O-CG 3.26Å; T362-N366 PolarHBondContact O-N 2.79Å; T362-N366 PolarHBondContact O-ND2 2.91Å; L363-N366 PolarHBondContact O-N 3.44Å; W364-N366 VanDerWaalsContact C-N 3.35Å; W364-N366 PolarHBondContact O-N 2.85Å; N366-I446 PolarHBondContact ND2-O 3.15Å; N366-I446 VanDerWaalsContact ND2-O 3.12Å; N366-I446 PolarHBondContact OD1-N 2.95Å
367M73.9Confident70.5Confident4 Ų428.4 Ų28.42%0.0216%0.156CC..Hα-helixtrans-82-37.7173.9-75.9179.461.500113.1L313 R335 R337 L363 W364 F365 L380L313-M367 HydrophobicContact CB-CE 3.59Å; L313-M367 HydrophobicContact CB-SD 4.03Å; L313-M367 HydrophobicContact CD1-SD 4.29Å; R335-M367 PolarHBondContact N-O 3.09Å; R337-M367 HydrophobicContact CB-CG 3.83Å; R337-M367 HydrophobicContact CG-CG 4.46Å; L363-M367 HydrophobicContact CD2-SD 3.86Å; L363-M367 HydrophobicContact CG-SD 4.19Å; L363-M367 VanDerWaalsContact O-CG 3.32Å; L363-M367 WeakPolarHBondContact O-CG 3.38Å; L363-M367 PolarHBondContact O-N 2.78Å; W364-M367 PolarHBondContact O-N 2.82Å; F365-M367 VanDerWaalsContact C-N 3.27Å; F365-M367 PolarHBondContact O-N 2.94Å; M367-L380 HydrophobicContact CE-CD1 4.28Å; M367-L380 HydrophobicContact CE-CD2 4.3Å
368T70.1Confident70.2Confident6 Ų630 Ų304%0.03717%0.166CC..Hα-helixtrans-103.7-0.1-172.2600000114W364 F365 G370 E371W364-T368 HydrophobicContact CD2-CG2 4.25Å; W364-T368 HydrophobicContact CH2-CG2 4.3Å; W364-T368 HydrophobicContact CZ2-CG2 3.87Å; W364-T368 PolarHBondContact O-N 2.93Å; W364-T368 PolarHBondContact O-OG1 3.14Å; F365-T368 PolarHBondContact O-N 3.48Å; T368-G370 PolarHBondContact O-N 2.93Å; T368-E371 WeakPolarHBondContact CB-OE2 3.26Å; T368-E371 HydrophobicContact CG2-CB 4.47Å; T368-E371 WeakPolarHBondContact CG2-OE2 3.41Å
369E63.7Low70.2Confident96 Ų9633 Ų3345%0.44919%0.186SC..THydrogen-bonded Turntrans5631.5-177.5-58.7-172167.100113.9R335 F365R335-E369 IonicContact CZ-OE1 3.42Å; R335-E369 IonicContact NE-OE1 3.67Å; R335-E369 PolarHBondContact NE-OE1 3.45Å; R335-E369 IonicContact NH2-OE1 3.54Å; R335-E369 PolarHBondContact NH2-OE1 3.4Å; F365-E369 WeakPolarHBondContact O-CA 3.48Å; F365-E369 PolarHBondContact O-N 2.75Å
370G59.7Low70.1Confident24 Ų2433.1 Ų33.125%0.24719%0.186CC..SBendtrans102.220.3173.700000116.3F365 T368F365-G370 PolarHBondContact O-N 2.95Å; T368-G370 PolarHBondContact O-N 2.93Å
371E65.9Low70.2Confident28 Ų2836.9 Ų36.913%0.13120%0.2CC..PPolyproline II helixtrans-60.7161.4168.1-70.8-174.9145.100112.6R315 P332 T368 N580R315-E371 IonicContact CZ-OE2 3.88Å; R315-E371 IonicContact NH1-OE1 3.76Å; R315-E371 IonicContact NH1-OE2 3.59Å; R315-E371 PolarHBondContact NH1-OE2 3.4Å; P332-E371 HydrophobicContact CG-CG 4.15Å; P332-E371 WeakPolarHBondContact CG-OE1 3.44Å; T368-E371 WeakPolarHBondContact CB-OE2 3.26Å; T368-E371 HydrophobicContact CG2-CB 4.47Å; T368-E371 WeakPolarHBondContact CG2-OE2 3.41Å; E371-N580 PolarHBondContact O-ND2 3.34Å; E371-N580 VanDerWaalsContact O-ND2 3.13Å
372T63.7Low70.3Confident49 Ų4937 Ų3730%0.30120%0.199SC..PPolyproline II helixtrans-59.7142.1176.6400000112.3W364 P374 L539 R578 L579W364-T372 PolarHBondContact NE1-O 3.47Å; T372-P374 WeakPolarHBondContact O-CD 3.5Å; T372-L539 HydrophobicContact CG2-CD1 4.06Å; T372-L539 HydrophobicContact CG2-CD2 3.61Å; T372-L539 HydrophobicContact CG2-CG 4.06Å; T372-R578 VanDerWaalsContact CA-O 3.29Å; T372-R578 WeakPolarHBondContact CA-O 3.29Å; T372-L579 HydrophobicContact CG2-CD2 3.5Å; T372-L579 HydrophobicContact CG2-CG 4.39Å
373L63.9Low70.2Confident9 Ų939.6 Ų39.65%0.04721%0.21CC..PPolyproline II helixtrans-68125.7175.4-75.6159.8000110.4V270 A361 W364 V375 C510 L522 R577 R578V270-L373 HydrophobicContact CB-CD2 4.3Å; V270-L373 HydrophobicContact CG1-CD2 3.71Å; V270-L373 HydrophobicContact CG2-CD2 4.47Å; A361-L373 HydrophobicContact CB-CD2 4.42Å; W364-L373 HydrophobicContact CB-CD2 4.49Å; W364-L373 HydrophobicContact CG-CD2 4.15Å; L373-V375 PolarHBondContact O-N 3.11Å; L373-C510 HydrophobicContact CD1-CB 4.49Å; L373-C510 WeakPolarHBondContact CD1-SG 3.4Å; L373-L522 HydrophobicContact CB-CD2 4.4Å; L373-L522 HydrophobicContact CD1-CD1 4.4Å; L373-L522 HydrophobicContact CD1-CD2 3.58Å; L373-R577 WeakPolarHBondContact CD1-O 3.42Å; L373-R578 PolarHBondContact N-O 3.21Å
374P60.8Low69.9Low31 Ų3144 Ų4420%0.20123%0.227CC..PPolyproline II helixtrans-72.3129.817928.5-33.9000110.7V270 W364 T372 C378V270-P374 HydrophobicContact CG2-CG 3.97Å; W364-P374 HydrophobicContact CD2-CG 4.4Å; W364-P374 VanDerWaalsContact CE2-CD 3.42Å; W364-P374 HydrophobicContact CE3-CG 4.5Å; W364-P374 HydrophobicContact CH2-CG 3.86Å; W364-P374 HydrophobicContact CZ2-CG 3.74Å; W364-P374 HydrophobicContact CZ3-CG 4.23Å; T372-P374 WeakPolarHBondContact O-CD 3.5Å; P374-C378 WeakPolarHBondContact CB-SG 3.32Å; P374-C378 HydrophobicContact CG-CB 4.45Å
375V58.3Low69.3Low82 Ų8245.4 Ų45.450%0.49723%0.232SC..SBendtrans-79.3-24.2178.2176.20000111.9L373 T523 R578L373-V375 PolarHBondContact O-N 3.11Å; V375-T523 HydrophobicContact CB-CG2 4.44Å; V375-T523 HydrophobicContact CG1-CG2 3.48Å; V375-T523 VanDerWaalsContact CG1-CG2 3.48Å; V375-T523 HydrophobicContact CG2-CG2 4.15Å; V375-R578 VanDerWaalsContact CG2-CZ 3.4Å
376K63.2Low68.3Low172 Ų17250.2 Ų50.275%0.74825%0.253SS*.SBendtrans-109.5170.2178.5-65.4-176.5179.8179.70110.3C378K376-C378 PolarHBondContact O-N 3.41Å
377S65.9Low66.8Low50 Ų5052.9 Ų52.935%0.3527%0.273SS..  trans-59.2136.3171.443.10000110.5V268V268-S377 WeakPolarHBondContact O-CA 3.45Å
378C67.4Low65.1Low32 Ų3256.9 Ų56.922%0.21631%0.306CS..EExtended strand (participates in β ladder)trans-116.5135.5175.7-770000110.4V268 W364 P374 K376 L380V268-C378 PolarHBondContact N-O 3.01Å; V268-C378 PolarHBondContact O-N 3.05Å; W364-C378 HydrophobicContact CH2-CB 4.39Å; W364-C378 HydrophobicContact CZ3-CB 4.48Å; P374-C378 WeakPolarHBondContact CB-SG 3.32Å; P374-C378 HydrophobicContact CG-CB 4.45Å; K376-C378 PolarHBondContact O-N 3.41Å; C378-L380 PolarHBondContact O-N 3.18Å
379T76.8Confident63.6Low70 Ų7061.4 Ų61.443%0.42933%0.33SS..EExtended strand (participates in β ladder)trans-74.1118173.4540000110.2L266 D267 P316L266-T379 CarbonylContact O-C 3.59Å; L266-T379 WeakPolarHBondContact O-CA 3.49Å; D267-T379 WeakPolarHBondContact OD1-CG2 3.24Å; P316-T379 VanDerWaalsContact CD-O 3.29Å; P316-T379 WeakPolarHBondContact CD-O 3.49Å
380L78Confident62.4Low2 Ų263 Ų631%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-103.5146.8168.7-66.7-178.3000110.7R265 L266 V268 R315 I359 W364 M367 C378R265-L380 WeakPolarHBondContact CA-O 3.45Å; L266-L380 PolarHBondContact N-O 3.11Å; L266-L380 PolarHBondContact O-N 3.35Å; V268-L380 HydrophobicContact CB-CD1 4.16Å; V268-L380 HydrophobicContact CG2-CB 4.43Å; V268-L380 HydrophobicContact CG2-CD1 3.92Å; V268-L380 HydrophobicContact CG2-CG 4.28Å; R315-L380 HydrophobicContact CB-CD2 4.24Å; I359-L380 HydrophobicContact CD1-CD1 3.45Å; I359-L380 VanDerWaalsContact CD1-CD1 3.45Å; W364-L380 HydrophobicContact CZ3-CD2 4.07Å; M367-L380 HydrophobicContact CE-CD1 4.28Å; M367-L380 HydrophobicContact CE-CD2 4.3Å; C378-L380 PolarHBondContact O-N 3.18Å
381R77.5Confident61Low81 Ų8169.4 Ų69.431%0.30637%0.366SS..EExtended strand (participates in β ladder)trans-85.3125.2171.6-175.2179.4-179.2163.313.8108.4E263 L313 S314E263-R381 HydrophobicContact CG-CG 3.53Å; E263-R381 WeakPolarHBondContact OE1-CD 3.35Å; E263-R381 VanDerWaalsContact OE1-CG 3.26Å; E263-R381 WeakPolarHBondContact OE1-CG 3.23Å; E263-R381 IonicContact OE1-CZ 2.74Å; E263-R381 IonicContact OE1-NE 2.7Å; E263-R381 PolarHBondContact OE1-NE 2.97Å; E263-R381 IonicContact OE1-NH1 3.36Å; E263-R381 IonicContact OE1-NH2 3.74Å; E263-R381 IonicContact OE2-CZ 2.96Å; E263-R381 IonicContact OE2-NE 3.1Å; E263-R381 PolarHBondContact OE2-NE 3.32Å; E263-R381 IonicContact OE2-NH2 3.86Å; E263-R381 PolarHBondContact OE2-NH2 2.96Å; L313-R381 WeakPolarHBondContact CA-O 3.29Å; S314-R381 PolarHBondContact N-O 2.94Å; S314-R381 WeakPolarHBondContact O-CA 3.34Å; S314-R381 WeakPolarHBondContact O-CB 3.46Å; S314-R381 PolarHBondContact O-N 3.49Å
382M77.7Confident59.7Low8 Ų874.4 Ų74.44%0.03939%0.393CS..EExtended strand (participates in β ladder)trans-119.7121.3-176.1-167.7-178.569.400109.8C264 L266 L303 L305 V311 L313C264-M382 HydrophobicContact CB-CB 4.39Å; C264-M382 HydrophobicContact CB-CE 3.82Å; C264-M382 PolarHBondContact N-O 3.39Å; C264-M382 WeakPolarHBondContact O-CB 3.5Å; C264-M382 PolarHBondContact O-N 3.06Å; L266-M382 HydrophobicContact CD2-SD 4.31Å; L303-M382 HydrophobicContact CB-CE 4.36Å; L303-M382 HydrophobicContact CD1-CE 3.68Å; L303-M382 HydrophobicContact CD1-SD 4.46Å; L303-M382 HydrophobicContact CD2-CE 4.18Å; L303-M382 HydrophobicContact CG-CE 4.31Å; L305-M382 HydrophobicContact CD1-CE 3.49Å; L305-M382 VanDerWaalsContact CD1-CE 3.49Å; L305-M382 HydrophobicContact CD1-SD 3.86Å; L305-M382 HydrophobicContact CG-CE 4.32Å; V311-M382 HydrophobicContact CB-CG 4.47Å; V311-M382 HydrophobicContact CG1-CB 4.4Å; V311-M382 HydrophobicContact CG1-CG 3.07Å; V311-M382 HydrophobicContact CG1-SD 3.77Å; L313-M382 HydrophobicContact CD2-CB 4.03Å; L313-M382 HydrophobicContact CD2-CG 3.76Å
383K75.3Confident58.3Low60 Ų6082.7 Ų82.726%0.26142%0.418SS..EExtended strand (participates in β ladder)trans-123.6139.4178.6-64.4179.5-171.9163.50110.4V311 R312 E336V311-K383 CarbonylContact C-O 3.57Å; V311-K383 WeakPolarHBondContact CG1-O 3.47Å; R312-K383 HydrophobicContact CB-CB 4.42Å; R312-K383 PolarHBondContact N-O 2.95Å; R312-K383 PolarHBondContact O-N 2.65Å; E336-K383 IonicContact OE1-NZ 3.72Å; E336-K383 PolarHBondContact OE1-NZ 3.18Å
384R71.4Confident56.7Low93 Ų9390.8 Ų90.835%0.35146%0.456SS..EExtended strand (participates in β ladder)trans-67.8142.3175.2-63.5-173.6-172.5-145.25.1111.5G304 L305 E309G304-R384 PolarHBondContact O-NH2 3.1Å; L305-R384 HydrophobicContact CD2-CG 4.08Å; E309-R384 IonicContact OE1-CZ 3.21Å; E309-R384 IonicContact OE1-NH1 3.35Å; E309-R384 PolarHBondContact OE1-NH1 3.38Å; E309-R384 IonicContact OE2-NH1 2.74Å
385W65.8Low55.7Low34 Ų34101.4 Ų101.413%0.12949%0.492CS..  trans-80.8133175.8-177.252.5000111.3W310 L338 A403 L405W310-W385 HydrophobicContact CB-CB 4.06Å; W310-W385 HydrophobicContact CB-CD2 4.32Å; W310-W385 HydrophobicContact CB-CE3 3.66Å; W310-W385 HydrophobicContact CB-CZ3 4.49Å; W310-W385 AromaticContact CD1-CE3 3.95Å; W310-W385 AromaticContact CD1-CZ3 3.96Å; W310-W385 AromaticContact CG-CE3 3.95Å; W310-W385 HydrophobicContact CG-CE3 3.95Å; W310-W385 HydrophobicContact CG-CZ3 4.32Å; W310-W385 WeakPolarHBondContact O-CB 3.44Å; W310-W385 PolarHBondContact O-N 2.93Å; L338-W385 HydrophobicContact CD1-CB 3.56Å; L338-W385 HydrophobicContact CD1-CD2 3.96Å; L338-W385 HydrophobicContact CD1-CG 3.44Å; L338-W385 VanDerWaalsContact CD1-CG 3.44Å; L338-W385 HydrophobicContact CD2-CD2 4.22Å; W385-A403 HydrophobicContact CE3-CB 4.3Å; W385-A403 HydrophobicContact CH2-CB 4.4Å; W385-A403 HydrophobicContact CZ3-CB 3.66Å; W385-L405 HydrophobicContact CH2-CD2 3.31Å; W385-L405 HydrophobicContact CH2-CG 3.81Å; W385-L405 HydrophobicContact CZ2-CD2 3.43Å; W385-L405 VanDerWaalsContact CZ2-CD2 3.43Å; W385-L405 HydrophobicContact CZ2-CG 4.4Å; W385-L405 HydrophobicContact CZ3-CD2 3.95Å; W385-L405 HydrophobicContact CZ3-CG 4.09Å
386K56.6Low54.2Low112 Ų112102.2 Ų102.249%0.48750%0.502SS..  trans-120.3132.3166.5-67.5-171-178.8-173.70108.3
387S48Very low52.7Low68 Ų68101.6 Ų101.648%0.47651%0.506SS..  trans-64.7134.1166.9-179.40000108.5L389S387-L389 PolarHBondContact O-N 3.29Å
388A37.6Very low51Low87 Ų87104 Ų10472%0.71952%0.523SS*.SBendtrans-70.817.2-18000000113.8
389L39.5Very low49.5Very low102 Ų102109.8 Ų109.853%0.53454%0.541SS..  trans-114106.8179.1-146.894000109.5S387S387-L389 PolarHBondContact O-N 3.29Å
390E37Very low47.5Very low129 Ų129110.7 Ų110.760%0.60355%0.55SS*.  -177.198.3126.8-100169-139.400111.4Y399E390-Y399 PolarHBondContact OE1-OH 3.05Å; E390-Y399 PolarHBondContact OE2-OH 3.49Å; E390-Y399 VanDerWaalsContact OE2-OH 3.07Å
391D30.4Very low45.5Very low159 Ų159121.5 Ų121.585%0.8559%0.59SS**SBendtrans-86.4122.8141.1-103.3-33.4000107.6
392L38.1Very low43.8Very low133 Ų133122.3 Ų122.370%0.69661%0.608SS**SBendtrans65.1110.2156.9-69.3156.8000120.6
393R35.3Very low42.3Very low222 Ų222124.3 Ų124.384%0.83863%0.626SS**  trans74.990141.7-59.9179.1-177-175.11.4118.2
394Q29.8Very low41.4Very low179 Ų179126.2 Ų126.284%0.83665%0.647SS**  -174.4110.7114.8-103.5166.3-8.800109
395R39.7Very low41.1Very low254 Ų254121.9 Ų121.996%0.95863%0.631SS**  trans-88.6121176.3-74.3-179.3176.2175.3-1.9109.4
396S26.8Very low41.3Very low100 Ų100123.3 Ų123.370%0.69965%0.645SS**  trans-151.4125.5152.949.60000109.9
397D31.3Very low42.3Very low158 Ų158121.2 Ų121.285%0.84564%0.636SS**SBendtrans-7.7138.5171.7-59.5-33.1000120.4
398S31.5Very low43.9Very low100 Ų100118 Ų11870%0.69961%0.613SS**  trans92.248.1172.574.40000119.2C400S398-C400 PolarHBondContact O-N 3.44Å
399Y35.3Very low46.1Very low154 Ų154116.5 Ų116.560%0.60460%0.595SS**THydrogen-bonded Turntrans-64.2-2.4173.5-103.7-95.8000117.2E390E390-Y399 PolarHBondContact OE1-OH 3.05Å; E390-Y399 PolarHBondContact OE2-OH 3.49Å; E390-Y399 VanDerWaalsContact OE2-OH 3.07Å
400C34.5Very low48.3Very low89 Ų89114.9 Ų114.960%0.60159%0.585SS**THydrogen-bonded Turntrans-99.64-170.8-59.60000114.9F306 S398F306-C400 HydrophobicContact CD2-CB 4.24Å; F306-C400 HydrophobicContact CE2-CB 4.21Å; S398-C400 PolarHBondContact O-N 3.44Å
401R35.8Very low50.6Low229 Ų229108.8 Ų108.886%0.86456%0.556SS**SBendtrans-127.61.6-178-90-170.4170.4-176.4-2.8117.1
402S42Very low53.2Low98 Ų98103.6 Ų103.669%0.68553%0.527SS*.  trans-154.351.3-171.562.70000115.4S404S402-S404 PolarHBondContact O-N 2.93Å
403A46.4Very low55.6Low50 Ų5097.3 Ų97.341%0.41349%0.494SS..  trans-87.489.8152.900000107.3W310 W385W310-A403 PolarHBondContact NE1-O 3.48Å; W385-A403 HydrophobicContact CE3-CB 4.3Å; W385-A403 HydrophobicContact CH2-CB 4.4Å; W385-A403 HydrophobicContact CZ3-CB 3.66Å
404S56.1Low58Low100 Ų10088 Ų8870%0.69946%0.46SS*.PPolyproline II helixtrans-76.5126.5171.854.90000109.1S402S402-S404 PolarHBondContact O-N 2.93Å
405L64.9Low60.5Low3 Ų379.7 Ų79.72%0.01642%0.421CS..PPolyproline II helixtrans-62.7149.2172-74.1157.4000110.7W310 L338 W385 V440 L490W310-L405 HydrophobicContact CD2-CD1 4.05Å; W310-L405 HydrophobicContact CE3-CD1 4.14Å; W310-L405 HydrophobicContact CH2-CD1 3.77Å; W310-L405 HydrophobicContact CZ2-CD1 3.66Å; W310-L405 HydrophobicContact CZ3-CD1 4.01Å; L338-L405 HydrophobicContact CD2-CD1 3.53Å; L338-L405 HydrophobicContact CD2-CD2 3.36Å; L338-L405 HydrophobicContact CD2-CG 3.95Å; W385-L405 HydrophobicContact CH2-CD2 3.31Å; W385-L405 HydrophobicContact CH2-CG 3.81Å; W385-L405 HydrophobicContact CZ2-CD2 3.43Å; W385-L405 VanDerWaalsContact CZ2-CD2 3.43Å; W385-L405 HydrophobicContact CZ2-CG 4.4Å; W385-L405 HydrophobicContact CZ3-CD2 3.95Å; W385-L405 HydrophobicContact CZ3-CG 4.09Å; L405-V440 HydrophobicContact CD1-CG2 4.05Å; L405-L490 HydrophobicContact CB-CD1 3.69Å; L405-L490 HydrophobicContact CB-CG 3.73Å; L405-L490 HydrophobicContact CD1-CD2 4.41Å; L405-L490 HydrophobicContact CD1-CG 4.24Å
406P71.1Confident62.4Low64 Ų6468 Ų6842%0.41638%0.378SS..PPolyproline II helixtrans-66.1144.5174.721.6-25.2000111.7L489 L490P406-L489 HydrophobicContact CB-CD2 4.06Å; P406-L489 HydrophobicContact CG-CD2 3.85Å; P406-L489 WeakPolarHBondContact O-CD2 3.27Å; P406-L490 PolarHBondContact O-N 3.5Å
407F78Confident64.7Low68 Ų6864.3 Ų64.330%0.29835%0.353SS..BIsolated β-bridgetrans-80.9143.8174.1-67.1-83.9000111.3L490 D492 H495F407-L490 CarbonylContact C-O 3.58Å; F407-L490 VanDerWaalsContact CA-O 3.27Å; F407-L490 WeakPolarHBondContact CA-O 3.5Å; F407-L490 HydrophobicContact CD1-CB 3.73Å; F407-L490 HydrophobicContact CE1-CB 3.93Å; F407-L490 HydrophobicContact CE1-CD1 4.35Å; F407-L490 HydrophobicContact CG-CB 4.42Å; F407-L490 HydrophobicContact CZ-CD1 4.5Å; F407-D492 HydrophobicContact CD1-CB 4.23Å; F407-D492 HydrophobicContact CE1-CB 4.03Å; F407-H495 HydrophobicContact CB-CB 3.99Å; F407-H495 HydrophobicContact CD1-CB 4.21Å; F407-H495 HydrophobicContact CG-CB 4.11Å
408A81.3Confident66.6Low0 Ų057 Ų570%031%0.314CS..EExtended strand (participates in β ladder)trans-73.1148.1170.700000110.5V478 L479 L489 L490 T496A408-V478 HydrophobicContact CB-CG1 3.6Å; A408-L479 CarbonylContact C-O 3.58Å; A408-L479 WeakPolarHBondContact CA-O 3.18Å; A408-L489 HydrophobicContact CB-CB 4.1Å; A408-L489 HydrophobicContact CB-CD1 4.32Å; A408-L490 PolarHBondContact N-O 2.83Å; A408-T496 HydrophobicContact CB-CG2 4.2Å; A408-T496 WeakPolarHBondContact O-CG2 3.35Å
409T83.1Confident68.3Low55 Ų5553.3 Ų53.334%0.33729%0.288SS..EExtended strand (participates in β ladder)trans-92.7-39.9171.645.10000111.7L479 S497T409-L479 PolarHBondContact N-O 3.4Å; T409-L479 PolarHBondContact OG1-O 2.95Å; T409-S497 PolarHBondContact O-N 3.32Å; T409-S497 PolarHBondContact O-OG 3.21Å
410E85.5Confident69.5Low69 Ų6949 Ų4932%0.32227%0.273SS..EExtended strand (participates in β ladder)trans-130.8131.5-178.8-55.4179.4175.500110.2L479 Y499E410-L479 HydrophobicContact CB-CB 4.25Å; E410-L479 HydrophobicContact CB-CD1 4.29Å; E410-L479 PolarHBondContact O-N 3.49Å; E410-L479 WeakPolarHBondContact OE2-CD1 3.42Å; E410-Y499 HydrophobicContact CB-CD2 4.45Å; E410-Y499 HydrophobicContact CB-CE2 4.12Å; E410-Y499 HydrophobicContact CG-CE2 4.11Å
411L84.9Confident70.8Confident0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-123.1115.9177-171.292.2000110I413 F435 V441 V475 V478 S497 L498 Y499L411-I413 HydrophobicContact CD2-CG2 3.49Å; L411-I413 VanDerWaalsContact CD2-CG2 3.49Å; L411-I413 HydrophobicContact CG-CG2 3.98Å; L411-F435 HydrophobicContact CD2-CE1 4.31Å; L411-F435 HydrophobicContact CD2-CZ 3.84Å; L411-V441 HydrophobicContact CD1-CB 4.12Å; L411-V441 HydrophobicContact CD1-CG1 4.33Å; L411-V441 HydrophobicContact CD1-CG2 3.76Å; L411-V475 HydrophobicContact CD1-CG1 4.22Å; L411-V478 HydrophobicContact CD1-CG1 4.14Å; L411-V478 HydrophobicContact CD1-CG2 3.92Å; L411-S497 PolarHBondContact N-O 3.34Å; L411-L498 HydrophobicContact CB-CD2 4.01Å; L411-L498 HydrophobicContact CD2-CD2 3.27Å; L411-L498 HydrophobicContact CG-CD2 4.17Å; L411-Y499 PolarHBondContact O-N 3.38Å
412H86.1Confident71.6Confident50 Ų5036.3 Ų36.323%0.23122%0.219CC..EExtended strand (participates in β ladder)trans-97.5116.9173.7-66.6-93.3000110.6Q476 K477 Y499H412-Q476 HydrophobicContact CB-CB 4.38Å; H412-Q476 PolarHBondContact O-N 3.1Å; H412-K477 HydrophobicContact CB-CB 4.18Å; H412-K477 PolarHBondContact N-O 3.36Å; H412-Y499 WeakPolarHBondContact CA-O 3.32Å; H412-Y499 AromaticContact CE1-CD2 3.63Å; H412-Y499 AromaticContact CE1-CG 3.74Å; H412-Y499 WeakPolarHBondContact ND1-CB 3.35Å; H412-Y499 AromaticContact ND1-CG 3.95Å; H412-Y499 AromaticContact NE2-CD2 3.89Å
413I87.4Confident72.1Confident2 Ų238.7 Ų38.71%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-117.7144.1179.856.7171.1000111.4L411 L431 L447 F473 K474 V475 L498 Y499 M500 G501L411-I413 HydrophobicContact CD2-CG2 3.49Å; L411-I413 VanDerWaalsContact CD2-CG2 3.49Å; L411-I413 HydrophobicContact CG-CG2 3.98Å; I413-L431 HydrophobicContact CD1-CD1 4Å; I413-L431 HydrophobicContact CD1-CD2 4.36Å; I413-L447 HydrophobicContact CG2-CD1 4.36Å; I413-F473 HydrophobicContact CB-CB 4.44Å; I413-F473 HydrophobicContact CD1-CD1 4.24Å; I413-K474 WeakPolarHBondContact CA-O 3.33Å; I413-V475 HydrophobicContact CG2-CG2 4.41Å; I413-L498 HydrophobicContact CD1-CD2 4.4Å; I413-Y499 PolarHBondContact N-O 2.7Å; I413-M500 CarbonylContact O-C 3.57Å; I413-M500 WeakPolarHBondContact O-CA 2.94Å; I413-G501 PolarHBondContact O-N 3.44Å
414Q85.7Confident72.8Confident27 Ų2738 Ų3813%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-122.3129.3175.8-72.8178.8-51.100109.8F473 K474 T502 T504Q414-F473 CarbonylContact O-C 3.59Å; Q414-F473 WeakPolarHBondContact O-CA 3.5Å; Q414-K474 PolarHBondContact N-O 2.72Å; Q414-K474 PolarHBondContact O-N 3.4Å; Q414-T502 WeakPolarHBondContact CB-O 3.3Å; Q414-T502 WeakPolarHBondContact CG-O 3.3Å; Q414-T504 HydrophobicContact CB-CG2 3.85Å; Q414-T504 HydrophobicContact CG-CG2 4.16Å
415P83.4Confident72.9Confident3 Ų338.6 Ų38.62%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-66.5138.2175.227-31.2000110.2F426 F473 G501 F503 T504P415-F426 HydrophobicContact CB-CE2 3.58Å; P415-F426 HydrophobicContact CB-CZ 3.88Å; P415-F426 HydrophobicContact CG-CE2 3.96Å; P415-F473 HydrophobicContact CB-CD1 4.1Å; P415-F473 HydrophobicContact CB-CE1 4.01Å; P415-G501 VanDerWaalsContact CD-O 3.29Å; P415-G501 WeakPolarHBondContact CD-O 3.18Å; P415-F503 HydrophobicContact CB-CD1 3.88Å; P415-F503 HydrophobicContact CB-CE1 3.78Å; P415-F503 HydrophobicContact CB-CZ 4.46Å; P415-F503 HydrophobicContact CG-CD1 3.73Å; P415-F503 HydrophobicContact CG-CD2 4.36Å; P415-F503 HydrophobicContact CG-CE1 3.81Å; P415-F503 HydrophobicContact CG-CE2 4.42Å; P415-F503 HydrophobicContact CG-CG 4.03Å; P415-F503 HydrophobicContact CG-CZ 4.16Å; P415-F503 CarbonylContact O-C 3.58Å; P415-F503 VanDerWaalsContact O-CA 3.3Å; P415-F503 WeakPolarHBondContact O-CA 3.25Å; P415-T504 PolarHBondContact O-N 3.16Å
416V80.1Confident72.8Confident8 Ų840 Ų405%0.04822%0.224CC..BIsolated β-bridgetrans-88.1127.7176.4-177.70000109.5S418 Y472 K474 T504 S506 V508V416-S418 PolarHBondContact O-N 2.86Å; V416-S418 VanDerWaalsContact O-N 3.17Å; V416-Y472 PolarHBondContact N-O 3.35Å; V416-K474 HydrophobicContact CG2-CB 4.11Å; V416-T504 WeakPolarHBondContact CA-O 3.34Å; V416-S506 WeakPolarHBondContact CG1-OG 3.44Å; V416-S506 WeakPolarHBondContact CG2-OG 3.5Å; V416-V508 HydrophobicContact CB-CG2 4.4Å; V416-V508 HydrophobicContact CG1-CG2 3.68Å
417S74.8Confident72.4Confident24 Ų2438.6 Ų38.617%0.16822%0.215CC..  trans-62.4115.9175-57.70000109.8T504 N505S417-T504 PolarHBondContact N-O 3.01Å; S417-N505 PolarHBondContact OG-OD1 3.01Å
418S71.3Confident71.7Confident5 Ų541.2 Ų41.24%0.03523%0.232CC..  trans-121.7150.9175.872.20000110.8V416 Q420 H421 S422V416-S418 PolarHBondContact O-N 2.86Å; V416-S418 VanDerWaalsContact O-N 3.17Å; S418-Q420 PolarHBondContact O-N 3.27Å; S418-Q420 VanDerWaalsContact O-N 3.08Å; S418-H421 PolarHBondContact O-N 3.33Å; S418-H421 WeakPolarHBondContact OG-CB 3.37Å; S418-S422 PolarHBondContact O-N 3.02Å
419P67.3Low71.1Confident22 Ų2247 Ų4714%0.14326%0.263CS..THydrogen-bonded Turntrans-62.5-17179.423-32.5000113.6L584 R611 L615P419-L584 HydrophobicContact CB-CD1 3.91Å; P419-R611 PolarHBondContact O-NH2 3.36Å; P419-L615 HydrophobicContact CB-CD1 4.06Å
420Q60.2Low70.7Confident63 Ų6344.6 Ų44.629%0.29425%0.248SC..THydrogen-bonded Turntrans-90.7-9.7-178.5-66.7176.8-31.500113.7S418 C468 D514S418-Q420 PolarHBondContact O-N 3.27Å; S418-Q420 VanDerWaalsContact O-N 3.08Å; Q420-C468 PolarHBondContact OE1-SG 3.38Å; Q420-D514 PolarHBondContact NE2-OD2 3.28Å
421H60.7Low70.3Confident6 Ų641.8 Ų41.83%0.02824%0.235CC..  trans-146.427.7-167.2-67.3-53000115.1S418 N423 L424 C468 L471S418-H421 PolarHBondContact O-N 3.33Å; S418-H421 WeakPolarHBondContact OG-CB 3.37Å; H421-N423 PolarHBondContact O-N 3.1Å; H421-L424 HydrophobicContact CB-CD1 4.17Å; H421-L424 WeakPolarHBondContact ND1-CD1 3.18Å; H421-C468 PolarHBondContact CD2-SG 3.38Å; H421-C468 WeakPolarHBondContact CE1-CB 3.36Å; H421-C468 VanDerWaalsContact CE1-SG 3.5Å; H421-C468 WeakPolarHBondContact NE2-CB 3.4Å; H421-C468 PolarHBondContact NE2-SG 3.07Å; H421-L471 WeakPolarHBondContact CD2-CD2 3.31Å; H421-L471 WeakPolarHBondContact NE2-CD2 3.5Å
422S52.8Low69.8Low45 Ų4543.6 Ų43.632%0.31525%0.25SC..THydrogen-bonded Turntrans-60.7-8.2-163.843.30000116S418S418-S422 PolarHBondContact O-N 3.02Å
423N53.9Low69.3Low148 Ų14846.5 Ų46.579%0.79126%0.263SS*.THydrogen-bonded Turntrans-151.929.3-177.3-67.1-56.5000115.8H421H421-N423 PolarHBondContact O-N 3.1Å
424L59.4Low68.8Low37 Ų3746.9 Ų46.919%0.19427%0.265CS..PPolyproline II helixtrans-86.9135.6-176.8-68166.2000112.4H421 L457H421-L424 HydrophobicContact CB-CD1 4.17Å; H421-L424 WeakPolarHBondContact ND1-CD1 3.18Å; L424-L457 HydrophobicContact CB-CD2 4.33Å; L424-L457 HydrophobicContact CD1-CD2 3.77Å; L424-L457 HydrophobicContact CG-CD2 4.46Å
425S58.4Low68.5Low111 Ų11145.8 Ų45.878%0.77626%0.26SS*.PPolyproline II helixtrans-73.4120.4161.551.90000108.8
426F63.7Low68.2Low33 Ų3348.2 Ų48.215%0.14528%0.281CS..PPolyproline II helixtrans-78.9129-178.4-57.1-67.2000110.6P415 D428 L471 F473 M500 F503P415-F426 HydrophobicContact CB-CE2 3.58Å; P415-F426 HydrophobicContact CB-CZ 3.88Å; P415-F426 HydrophobicContact CG-CE2 3.96Å; F426-D428 PolarHBondContact O-N 3.09Å; F426-L471 HydrophobicContact CD1-CD1 3.79Å; F426-L471 HydrophobicContact CD1-CD2 4.24Å; F426-L471 HydrophobicContact CE1-CD1 4.02Å; F426-L471 HydrophobicContact CE1-CD2 3.61Å; F426-L471 HydrophobicContact CE1-CG 4.45Å; F426-F473 HydrophobicContact CD1-CZ 4.37Å; F426-F473 HydrophobicContact CD2-CE1 4.5Å; F426-F473 HydrophobicContact CG-CZ 4.45Å; F426-M500 HydrophobicContact CD2-SD 4.05Å; F426-F503 HydrophobicContact CE2-CE1 4.08Å; F426-F503 AromaticContact CE2-CZ 3.88Å; F426-F503 HydrophobicContact CE2-CZ 3.88Å; F426-F503 HydrophobicContact CZ-CE1 4.02Å; F426-F503 HydrophobicContact CZ-CZ 4.13Å
427P62.3Low67.9Low35 Ų3548.8 Ų48.823%0.22728%0.284CS..PPolyproline II helixtrans-73.2125.9172.227.1-30.3000110.1N429 L430P427-N429 PolarHBondContact O-N 3.19Å; P427-N429 VanDerWaalsContact O-N 3.09Å; P427-L430 HydrophobicContact CG-CB 4.26Å; P427-L430 WeakPolarHBondContact O-CB 3.47Å; P427-L430 PolarHBondContact O-N 3.18Å
428D64.3Low67.8Low122 Ų12250.7 Ų50.765%0.65230%0.296SS*.Hα-helixtrans-55.6-30.4-179.4-65.6-30.9000112.9F426 L430 L431 A432F426-D428 PolarHBondContact O-N 3.09Å; D428-L430 PolarHBondContact O-N 2.99Å; D428-L431 PolarHBondContact O-N 3.48Å; D428-A432 PolarHBondContact O-N 3.46Å; D428-A432 VanDerWaalsContact O-N 3.1Å
429N68.9Low68.1Low123 Ų12351.7 Ų51.766%0.65830%0.299SS*.Hα-helixtrans-58.1-29.9178.2-63.9-12.4000113.5P427 E433P427-N429 PolarHBondContact O-N 3.19Å; P427-N429 VanDerWaalsContact O-N 3.09Å; N429-E433 PolarHBondContact O-N 2.68Å
430L74.6Confident68.7Low4 Ų450.9 Ų50.92%0.02129%0.293CS..Hα-helixtrans-73.6-37.1-179.3173.2151.3000111.7P427 D428 H434 V449 A451 L457 L471P427-L430 HydrophobicContact CG-CB 4.26Å; P427-L430 WeakPolarHBondContact O-CB 3.47Å; P427-L430 PolarHBondContact O-N 3.18Å; D428-L430 PolarHBondContact O-N 2.99Å; L430-H434 WeakPolarHBondContact O-CB 3.31Å; L430-H434 PolarHBondContact O-N 3.41Å; L430-V449 HydrophobicContact CD2-CB 4.15Å; L430-V449 HydrophobicContact CD2-CG1 3.3Å; L430-V449 HydrophobicContact CG-CG1 3.99Å; L430-A451 HydrophobicContact CD1-CB 4.12Å; L430-L457 HydrophobicContact CD1-CD1 3.85Å; L430-L471 HydrophobicContact CD1-CD1 3.93Å; L430-L471 HydrophobicContact CD2-CD1 3.93Å
431L76.9Confident69.6Low10 Ų1048 Ų485%0.05228%0.28CS..Hα-helixtrans-73.9-37.1175.1-70.6173.1000110.9I413 D428 H434 F435 V449 F473 M500I413-L431 HydrophobicContact CD1-CD1 4Å; I413-L431 HydrophobicContact CD1-CD2 4.36Å; D428-L431 PolarHBondContact O-N 3.48Å; L431-H434 WeakPolarHBondContact O-CB 3.47Å; L431-H434 PolarHBondContact O-N 3.01Å; L431-F435 HydrophobicContact CD2-CE2 4.37Å; L431-F435 VanDerWaalsContact O-CD2 3.26Å; L431-F435 WeakPolarHBondContact O-CD2 3.29Å; L431-F435 PolarHBondContact O-N 2.98Å; L431-V449 HydrophobicContact CD2-CG2 4.24Å; L431-F473 HydrophobicContact CD2-CD2 4.29Å; L431-F473 HydrophobicContact CD2-CE2 3.87Å; L431-F473 HydrophobicContact CD2-CZ 4.03Å; L431-M500 HydrophobicContact CD1-CE 3.58Å
432A74.6Confident70.5Confident37 Ų3749.1 Ų49.131%0.30629%0.289SS..Hα-helixtrans-59.6-47.9173.400000111.7D428 H434 F435 A436D428-A432 PolarHBondContact O-N 3.46Å; D428-A432 VanDerWaalsContact O-N 3.1Å; A432-H434 VanDerWaalsContact C-N 3.26Å; A432-H434 PolarHBondContact O-N 2.97Å; A432-F435 PolarHBondContact O-N 3.27Å; A432-A436 PolarHBondContact O-N 3.26Å
433E75Confident71.9Confident112 Ų11253 Ų5352%0.52330%0.301SS..Hα-helixtrans-61.4-34.9175.7-170.1-179.6172.500112.1N429 H454N429-E433 PolarHBondContact O-N 2.68Å; E433-H454 IonicContact OE2-NE2 3.79Å
434H76Confident73Confident10 Ų1047.4 Ų47.45%0.04628%0.279CS..Hα-helixtrans-70.5-38179.9-176.1-98.9000113.8L430 L431 A432 R439 V449L430-H434 WeakPolarHBondContact O-CB 3.31Å; L430-H434 PolarHBondContact O-N 3.41Å; L431-H434 WeakPolarHBondContact O-CB 3.47Å; L431-H434 PolarHBondContact O-N 3.01Å; A432-H434 VanDerWaalsContact C-N 3.26Å; A432-H434 PolarHBondContact O-N 2.97Å; H434-R439 PolarHBondContact CD2-NH2 2.85Å; H434-R439 VanDerWaalsContact CE1-CD 3.44Å; H434-R439 WeakPolarHBondContact CE1-CD 3.38Å; H434-R439 PolarHBondContact CE1-NE 2.87Å; H434-R439 VanDerWaalsContact CE1-NE 3.31Å; H434-R439 VanDerWaalsContact NE2-CZ 3.3Å; H434-R439 PolarHBondContact NE2-NE 2.87Å; H434-R439 PolarHBondContact O-NE 2.81Å; H434-R439 PolarHBondContact O-NH2 2.78Å; H434-V449 HydrophobicContact CB-CG1 3.76Å; H434-V449 HydrophobicContact CB-CG2 4.48Å
435F80.2Confident74Confident3 Ų345.8 Ų45.81%0.01327%0.271CS..Hα-helixtrans-93.30.1179.6-70.6-71000114.2L411 L431 A432 T437 L447 A491 E493 L498L411-F435 HydrophobicContact CD2-CE1 4.31Å; L411-F435 HydrophobicContact CD2-CZ 3.84Å; L431-F435 HydrophobicContact CD2-CE2 4.37Å; L431-F435 VanDerWaalsContact O-CD2 3.26Å; L431-F435 WeakPolarHBondContact O-CD2 3.29Å; L431-F435 PolarHBondContact O-N 2.98Å; A432-F435 PolarHBondContact O-N 3.27Å; F435-T437 PolarHBondContact O-N 3.44Å; F435-T437 VanDerWaalsContact O-N 3.08Å; F435-L447 HydrophobicContact CE1-CD1 4.49Å; F435-L447 HydrophobicContact CZ-CD1 3.9Å; F435-A491 HydrophobicContact CD1-CB 4.17Å; F435-A491 HydrophobicContact CE1-CB 4.03Å; F435-E493 PolarHBondContact O-N 3.05Å; F435-L498 HydrophobicContact CD2-CD1 3.72Å; F435-L498 HydrophobicContact CD2-CD2 4.25Å; F435-L498 HydrophobicContact CE2-CD1 3.94Å; F435-L498 HydrophobicContact CE2-CD2 3.76Å; F435-L498 HydrophobicContact CZ-CD2 4.1Å
436A77.1Confident75.1Confident55 Ų5540.7 Ų40.746%0.45524%0.235SC..SBendtrans-58.6-17.5168.500000113.1A432A432-A436 PolarHBondContact O-N 3.26Å
437T72.8Confident76Confident20 Ų2039.9 Ų39.912%0.12323%0.232CC..SBendtrans-109.1131169.662.30000108.6F286 F435 R439F286-T437 HydrophobicContact CB-CG2 3.35Å; F286-T437 HydrophobicContact CD1-CG2 3.67Å; F286-T437 HydrophobicContact CD2-CG2 4.44Å; F286-T437 HydrophobicContact CG-CG2 3.59Å; F435-T437 PolarHBondContact O-N 3.44Å; F435-T437 VanDerWaalsContact O-N 3.08Å; T437-R439 WeakPolarHBondContact O-CG 3.44Å; T437-R439 PolarHBondContact O-N 2.78Å
438P72.9Confident76.7Confident63 Ų6338.2 Ų38.241%0.40922%0.221SC..  trans-66.2128.1-178.826.4-34000110.8A491 D492P438-A491 CarbonylContact C-O 3.52Å; P438-A491 VanDerWaalsContact CA-O 3.3Å; P438-A491 WeakPolarHBondContact CA-O 3.29Å; P438-D492 HydrophobicContact CB-CB 4.29Å
439R77.7Confident77.3Confident27 Ų2732.6 Ų32.610%0.10219%0.191CC..EExtended strand (participates in β ladder)trans-121.3145.8-176.4-61.2-171.1-173.6-109.24.5112.3D288 H434 T437 L490 A491D288-R439 HydrophobicContact CB-CG 4.31Å; D288-R439 IonicContact OD1-CZ 3.65Å; D288-R439 IonicContact OD1-NH1 3.98Å; D288-R439 PolarHBondContact OD1-NH1 2.89Å; D288-R439 WeakPolarHBondContact OD2-CB 3.37Å; H434-R439 PolarHBondContact CD2-NH2 2.85Å; H434-R439 VanDerWaalsContact CE1-CD 3.44Å; H434-R439 WeakPolarHBondContact CE1-CD 3.38Å; H434-R439 PolarHBondContact CE1-NE 2.87Å; H434-R439 VanDerWaalsContact CE1-NE 3.31Å; H434-R439 VanDerWaalsContact NE2-CZ 3.3Å; H434-R439 PolarHBondContact NE2-NE 2.87Å; H434-R439 PolarHBondContact O-NE 2.81Å; H434-R439 PolarHBondContact O-NH2 2.78Å; T437-R439 WeakPolarHBondContact O-CG 3.44Å; T437-R439 PolarHBondContact O-N 2.78Å; R439-L490 CarbonylContact O-C 3.59Å; R439-L490 WeakPolarHBondContact O-CA 3.29Å; R439-A491 PolarHBondContact N-O 3.07Å; R439-A491 PolarHBondContact O-N 3.46Å
440V79.9Confident77.4Confident5 Ų529.5 Ų29.53%0.0318%0.178CC..EExtended strand (participates in β ladder)trans-80.4125174.6-177.90000109.3N291 W310 L405 A488 L489 L490N291-V440 HydrophobicContact CB-CB 4.33Å; N291-V440 PolarHBondContact ND2-O 2.96Å; W310-V440 HydrophobicContact CH2-CG2 3.53Å; W310-V440 HydrophobicContact CZ3-CG2 3.64Å; L405-V440 HydrophobicContact CD1-CG2 4.05Å; V440-A488 HydrophobicContact CG1-CB 3.66Å; V440-L489 CarbonylContact C-O 3.52Å; V440-L489 WeakPolarHBondContact CA-O 3.37Å; V440-L490 HydrophobicContact CG2-CD2 3.68Å
441V80.1Confident77.1Confident1 Ų129.5 Ų29.51%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-126.5139.8-179.1-670000110.5L411 L447 V478 L489 A491L411-V441 HydrophobicContact CD1-CB 4.12Å; L411-V441 HydrophobicContact CD1-CG1 4.33Å; L411-V441 HydrophobicContact CD1-CG2 3.76Å; V441-L447 HydrophobicContact CG1-CD2 4.22Å; V441-V478 HydrophobicContact CG2-CG1 4.16Å; V441-V478 HydrophobicContact CG2-CG2 4.47Å; V441-L489 HydrophobicContact CG2-CB 4.49Å; V441-L489 WeakPolarHBondContact CG2-O 3.44Å; V441-L489 PolarHBondContact N-O 3.37Å; V441-L489 PolarHBondContact O-N 2.91Å; V441-A491 HydrophobicContact CG1-CB 4.08Å; V441-A491 HydrophobicContact CG2-CB 3.82Å
442S80Confident76.2Confident31 Ų3134.8 Ų34.822%0.21720%0.201CC..  trans-136.4159.5172.372.30000111.2G444 D445S442-G444 PolarHBondContact O-N 2.74Å; S442-D445 WeakPolarHBondContact CA-OD2 3.49Å; S442-D445 WeakPolarHBondContact CB-OD2 3.36Å; S442-D445 PolarHBondContact N-OD2 3.32Å; S442-D445 WeakPolarHBondContact O-CB 3.46Å; S442-D445 PolarHBondContact O-N 3.27Å; S442-D445 PolarHBondContact OG-OD1 3.21Å; S442-D445 PolarHBondContact OG-OD2 3.2Å
443Q81.3Confident75.4Confident125 Ų12538.9 Ų38.958%0.58422%0.218SC*.THydrogen-bonded Turntrans-66123.9-176.3-171.9-179.48.200111R335 Q476R335-Q443 PolarHBondContact NH1-O 3.43Å; Q443-Q476 VanDerWaalsContact CG-O 3.31Å; Q443-Q476 WeakPolarHBondContact CG-O 3.43Å; Q443-Q476 PolarHBondContact NE2-O 3.06Å
444G76.3Confident74.7Confident31 Ų3135.7 Ų35.732%0.3220%0.202SC..THydrogen-bonded Turntrans100.1-4.7-179.100000114.8S442 V475S442-G444 PolarHBondContact O-N 2.74Å; G444-V475 WeakPolarHBondContact CA-O 3.37Å; G444-V475 PolarHBondContact N-O 3.45Å
445D80.4Confident73.8Confident3 Ų339.3 Ų39.32%0.01623%0.227CC..PPolyproline II helixtrans-68.4148.5-178.4-70.8-13000113.4R337 S442 K474 V475R337-D445 IonicContact CZ-OD1 2.59Å; R337-D445 IonicContact CZ-OD2 2.68Å; R337-D445 IonicContact NH1-OD1 3.74Å; R337-D445 PolarHBondContact NH1-OD1 3.46Å; R337-D445 IonicContact NH1-OD2 2.64Å; R337-D445 PolarHBondContact NH1-OD2 2.94Å; R337-D445 VanDerWaalsContact NH2-CG 3.25Å; R337-D445 IonicContact NH2-OD1 2.76Å; R337-D445 IonicContact NH2-OD2 3Å; R337-D445 PolarHBondContact NH2-OD2 3.44Å; S442-D445 WeakPolarHBondContact CA-OD2 3.49Å; S442-D445 WeakPolarHBondContact CB-OD2 3.36Å; S442-D445 PolarHBondContact N-OD2 3.32Å; S442-D445 WeakPolarHBondContact O-CB 3.46Å; S442-D445 PolarHBondContact O-N 3.27Å; S442-D445 PolarHBondContact OG-OD1 3.21Å; S442-D445 PolarHBondContact OG-OD2 3.2Å; D445-K474 CarbonylContact O-C 3.58Å; D445-K474 WeakPolarHBondContact O-CA 3.4Å; D445-V475 HydrophobicContact CB-CB 4.43Å; D445-V475 HydrophobicContact CB-CG2 4.16Å; D445-V475 PolarHBondContact O-N 3.49Å
446I82.9Confident72.6Confident5 Ų545.2 Ų45.23%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-99.6124.4165.8-56.9-169.6000109.2F365 N366 Y472 F473 P507 P509F365-I446 HydrophobicContact CD1-CD1 4.14Å; F365-I446 HydrophobicContact CD1-CG1 4.39Å; F365-I446 HydrophobicContact CE1-CB 4.36Å; F365-I446 HydrophobicContact CE1-CD1 3.23Å; F365-I446 HydrophobicContact CE1-CG1 3.75Å; F365-I446 HydrophobicContact CZ-CD1 3.65Å; N366-I446 PolarHBondContact ND2-O 3.15Å; N366-I446 VanDerWaalsContact ND2-O 3.12Å; N366-I446 PolarHBondContact OD1-N 2.95Å; I446-Y472 HydrophobicContact CG2-CD1 4.09Å; I446-F473 CarbonylContact C-O 3.54Å; I446-F473 WeakPolarHBondContact CA-O 3.26Å; I446-P507 WeakPolarHBondContact CD1-O 3.4Å; I446-P509 HydrophobicContact CG2-CG 4.29Å
447L81.8Confident71.6Confident15 Ų1543 Ų438%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-96.7132175.2-57.7177.1000109.8I413 F435 V441 Y472 F473 V475I413-L447 HydrophobicContact CG2-CD1 4.36Å; F435-L447 HydrophobicContact CE1-CD1 4.49Å; F435-L447 HydrophobicContact CZ-CD1 3.9Å; V441-L447 HydrophobicContact CG1-CD2 4.22Å; L447-Y472 WeakPolarHBondContact O-CA 3.46Å; L447-F473 HydrophobicContact CB-CB 4.4Å; L447-F473 PolarHBondContact N-O 3.36Å; L447-F473 PolarHBondContact O-N 2.73Å; L447-V475 HydrophobicContact CD1-CG2 3.85Å; L447-V475 HydrophobicContact CD2-CG2 4.45Å; L447-V475 HydrophobicContact CG-CG2 3.94Å
448T77.3Confident70.7Confident1 Ų145.4 Ų45.41%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-105101.6-179.738.80000110.7D290 T362 V470 Y472 P509 C511D290-T448 PolarHBondContact OD2-OG1 3.07Å; T362-T448 HydrophobicContact CG2-CG2 3.7Å; T448-V470 HydrophobicContact CG2-CG1 4.24Å; T448-Y472 HydrophobicContact CG2-CD1 3.72Å; T448-Y472 HydrophobicContact CG2-CE1 3.63Å; T448-P509 HydrophobicContact CG2-CG 4.14Å; T448-C511 VanDerWaalsContact CG2-SG 3.52Å
449V76.9Confident69.6Low3 Ų344.3 Ų44.32%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-100.5114.4-176.9-170.40000110.6L430 L431 H434 A451 V470 L471 F473L430-V449 HydrophobicContact CD2-CB 4.15Å; L430-V449 HydrophobicContact CD2-CG1 3.3Å; L430-V449 HydrophobicContact CG-CG1 3.99Å; L431-V449 HydrophobicContact CD2-CG2 4.24Å; H434-V449 HydrophobicContact CB-CG1 3.76Å; H434-V449 HydrophobicContact CB-CG2 4.48Å; V449-A451 PolarHBondContact O-N 3.19Å; V449-V470 CarbonylContact O-C 3.55Å; V449-V470 WeakPolarHBondContact O-CA 3.46Å; V449-L471 HydrophobicContact CB-CB 4.39Å; V449-L471 PolarHBondContact N-O 3.33Å; V449-L471 PolarHBondContact O-N 3.23Å; V449-F473 HydrophobicContact CB-CD2 4.44Å; V449-F473 HydrophobicContact CB-CE2 4.16Å; V449-F473 HydrophobicContact CG2-CD2 3.67Å; V449-F473 HydrophobicContact CG2-CE2 3.78Å
450P71.4Confident68Low59 Ų5949.6 Ų49.638%0.38327%0.27SS..EExtended strand (participates in β ladder)trans-71.8129.2-178.928.3-33.1000111.9P469P450-P469 CarbonylContact C-O 3.57Å; P450-P469 WeakPolarHBondContact CA-O 3.48Å
451A67.3Low66.6Low3 Ų353.3 Ų53.33%0.02529%0.29CS..  trans-1036-176.400000114.3L430 V449 N453 H454 L457 C468 P469L430-A451 HydrophobicContact CD1-CB 4.12Å; V449-A451 PolarHBondContact O-N 3.19Å; A451-N453 PolarHBondContact O-N 3.23Å; A451-H454 PolarHBondContact O-N 2.81Å; A451-L457 HydrophobicContact CB-CD1 3.63Å; A451-C468 WeakPolarHBondContact CB-O 3.49Å; A451-P469 PolarHBondContact N-O 3.31Å
452K59.3Low64.8Low121 Ų12158.9 Ų58.953%0.52634%0.336SS..THydrogen-bonded Turntrans-57.1-25-169.5-69.6-171.9-178.6-177.90116V513K452-V513 HydrophobicContact CD-CG1 4.45Å; K452-V513 VanDerWaalsContact NZ-CG1 3.28Å
453N56.7Low63.1Low124 Ų12461.4 Ų61.466%0.66335%0.345SS*.THydrogen-bonded Turntrans-94-7.3-172.5-62.7-19000113.5A451A451-N453 PolarHBondContact O-N 3.23Å
454H59.6Low61.3Low44 Ų4457.2 Ų57.220%0.20434%0.335CS..  trans-106.1118.1-175.1-67.8-75.8000111.9E433 A451 D456 L457E433-H454 IonicContact OE2-NE2 3.79Å; A451-H454 PolarHBondContact O-N 2.81Å; H454-D456 VanDerWaalsContact C-N 3.28Å; H454-D456 PolarHBondContact O-N 3.39Å; H454-L457 HydrophobicContact CB-CD1 4.37Å
455P57.7Low59.8Low87 Ų8761.4 Ų61.457%0.56535%0.349SS*.G310 helixtrans-72.5-18.8179.429.7-34.2000113.4L457 L458P455-L457 PolarHBondContact O-N 3.44Å; P455-L458 VanDerWaalsContact O-CD1 3.23Å; P455-L458 WeakPolarHBondContact O-CD1 3.2Å; P455-L458 WeakPolarHBondContact O-CG 3.43Å; P455-L458 PolarHBondContact O-N 3.48Å
456D55Low58.4Low127 Ų12766.8 Ų66.868%0.67937%0.369SS*.G310 helixtrans-74.2-9.7-174.8-53.5-35.9000113.8H454H454-D456 VanDerWaalsContact C-N 3.28Å; H454-D456 PolarHBondContact O-N 3.39Å
457L55.5Low57Low8 Ų875.4 Ų75.44%0.04240%0.401CS..G310 helixtrans-98.824.7179.1-62.6169.2000112.7L424 L430 A451 H454 P455 L471L424-L457 HydrophobicContact CB-CD2 4.33Å; L424-L457 HydrophobicContact CD1-CD2 3.77Å; L424-L457 HydrophobicContact CG-CD2 4.46Å; L430-L457 HydrophobicContact CD1-CD1 3.85Å; A451-L457 HydrophobicContact CB-CD1 3.63Å; H454-L457 HydrophobicContact CB-CD1 4.37Å; P455-L457 PolarHBondContact O-N 3.44Å; L457-L471 HydrophobicContact CD1-CD1 4.21Å
458L54.3Low55.7Low71 Ų7175.1 Ų75.137%0.37240%0.401SS..EExtended strand (participates in β ladder)trans-85.6108.2176.1-71.9171.1000110.8P455 I465 R467P455-L458 VanDerWaalsContact O-CD1 3.23Å; P455-L458 WeakPolarHBondContact O-CD1 3.2Å; P455-L458 WeakPolarHBondContact O-CG 3.43Å; P455-L458 PolarHBondContact O-N 3.48Å; L458-I465 HydrophobicContact CD2-CG2 3.7Å; L458-R467 HydrophobicContact CD2-CB 4.32Å; L458-R467 HydrophobicContact CD2-CG 3.21Å; L458-R467 HydrophobicContact CG-CG 4.45Å
459E49.7Very low54.9Low40 Ų4075.7 Ų75.719%0.18740%0.404CS..EExtended strand (participates in β ladder)trans-87.5125.9168.7-75.6-168.9174.800111.2N461 R466E459-N461 PolarHBondContact O-N 3.13Å; E459-N461 PolarHBondContact OE2-ND2 2.9Å; E459-N461 VanDerWaalsContact OE2-ND2 3.12Å; E459-R466 PolarHBondContact O-N 3.42Å
460N45.3Very low54.6Low137 Ų13775.7 Ų75.773%0.73340%0.404SS*.EExtended strand (participates in β ladder)trans-8093.3163.8-91.3-16.1000109.1I465N460-I465 WeakPolarHBondContact OD1-CG1 3.49Å
461N50.2Low54.8Low83 Ų8373.1 Ų73.144%0.44439%0.387SS..EExtended strand (participates in β ladder)trans-93.9156.8170.5-80.6-49.4000110.4E459 E463 G464E459-N461 PolarHBondContact O-N 3.13Å; E459-N461 PolarHBondContact OE2-ND2 2.9Å; E459-N461 VanDerWaalsContact OE2-ND2 3.12Å; N461-E463 PolarHBondContact O-N 3.26Å; N461-G464 PolarHBondContact N-O 3.22Å; N461-G464 PolarHBondContact O-N 2.89Å
462A43.1Very low55.5Low118 Ų11874.2 Ų74.298%0.97539%0.391SS*.THydrogen-bonded Turntrans-59.5-7.817600000114.2
463E42.8Very low56.7Low85 Ų8568.5 Ų68.540%0.39737%0.366SS..THydrogen-bonded Turntrans-101.65.9175.6-63.7-177-176.700113.6N461 R466 I587N461-E463 PolarHBondContact O-N 3.26Å; E463-R466 IonicContact OE2-CZ 2.93Å; E463-R466 IonicContact OE2-NH1 3.57Å; E463-R466 IonicContact OE2-NH2 2.75Å; E463-R466 PolarHBondContact OE2-NH2 3.38Å; E463-I587 HydrophobicContact CG-CD1 4.45Å; E463-I587 WeakPolarHBondContact OE1-CD1 3.48Å; E463-I587 WeakPolarHBondContact OE1-CG1 3.43Å
464G44Very low58Low37 Ų3766.2 Ų66.238%0.38135%0.35SS..EExtended strand (participates in β ladder)trans115.9169-178.300000114.3N461 R466N461-G464 PolarHBondContact N-O 3.22Å; N461-G464 PolarHBondContact O-N 2.89Å; G464-R466 PolarHBondContact O-N 3.42Å
465I44.8Very low59.2Low118 Ų11864.1 Ų64.161%0.60534%0.341SS*.EExtended strand (participates in β ladder)trans-68.9112.4171.9-62.1157.5000107.8L458 N460L458-I465 HydrophobicContact CD2-CG2 3.7Å; N460-I465 WeakPolarHBondContact OD1-CG1 3.49Å
466R50.9Low60.4Low117 Ų11764.6 Ų64.644%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-111.9123171.7-67.8-161-175.614917.2109.7E459 E463 G464 C468E459-R466 PolarHBondContact O-N 3.42Å; E463-R466 IonicContact OE2-CZ 2.93Å; E463-R466 IonicContact OE2-NH1 3.57Å; E463-R466 IonicContact OE2-NH2 2.75Å; E463-R466 PolarHBondContact OE2-NH2 3.38Å; G464-R466 PolarHBondContact O-N 3.42Å; R466-C468 PolarHBondContact O-N 2.66Å
467R53.8Low61.6Low185 Ų18563.1 Ų63.170%0.69832%0.323SS*.EExtended strand (participates in β ladder)trans-72.8119.7165.5-76.4174.7-175.7176.32.2106.8L458 P469L458-R467 HydrophobicContact CD2-CB 4.32Å; L458-R467 HydrophobicContact CD2-CG 3.21Å; L458-R467 HydrophobicContact CG-CG 4.45Å; R467-P469 VanDerWaalsContact O-CD 3.32Å; R467-P469 WeakPolarHBondContact O-CD 3.43Å
468C55.1Low62.9Low10 Ų1063.9 Ų63.97%0.06833%0.327CS..  trans-75.6126.8166.8-163.80000109.2Q420 H421 A451 R466Q420-C468 PolarHBondContact OE1-SG 3.38Å; H421-C468 PolarHBondContact CD2-SG 3.38Å; H421-C468 WeakPolarHBondContact CE1-CB 3.36Å; H421-C468 VanDerWaalsContact CE1-SG 3.5Å; H421-C468 WeakPolarHBondContact NE2-CB 3.4Å; H421-C468 PolarHBondContact NE2-SG 3.07Å; A451-C468 WeakPolarHBondContact CB-O 3.49Å; R466-C468 PolarHBondContact O-N 2.66Å
469P59.6Low64.1Low12 Ų1263 Ų638%0.07832%0.323CS..  trans-85.3-23.8-172.329-33.5000114.8P450 A451 R467 V513P450-P469 CarbonylContact C-O 3.57Å; P450-P469 WeakPolarHBondContact CA-O 3.48Å; A451-P469 PolarHBondContact N-O 3.31Å; R467-P469 VanDerWaalsContact O-CD 3.32Å; R467-P469 WeakPolarHBondContact O-CD 3.43Å; P469-V513 HydrophobicContact CB-CB 3.42Å; P469-V513 VanDerWaalsContact CB-CB 3.42Å; P469-V513 HydrophobicContact CB-CG1 3.19Å; P469-V513 HydrophobicContact CB-CG2 4.48Å; P469-V513 HydrophobicContact CG-CB 3.5Å; P469-V513 HydrophobicContact CG-CG1 3.86Å
470V70.2Confident65.3Low3 Ų362.7 Ų62.72%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-145.9135.8-172.5-175.60000110.9T448 V449 Y472 C511 V513T448-V470 HydrophobicContact CG2-CG1 4.24Å; V449-V470 CarbonylContact O-C 3.55Å; V449-V470 WeakPolarHBondContact O-CA 3.46Å; V470-Y472 HydrophobicContact CG1-CE1 4.11Å; V470-C511 HydrophobicContact CB-CB 4.32Å; V470-C511 HydrophobicContact CG1-CB 4.49Å; V470-C511 HydrophobicContact CG2-CB 3.93Å; V470-V513 HydrophobicContact CG2-CB 4.28Å; V470-V513 HydrophobicContact CG2-CG2 3.77Å
471L76.4Confident66Low5 Ų560.8 Ų60.83%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-101.9145.2171.2-70.4172.3000110.6H421 F426 L430 V449 L457 F473H421-L471 WeakPolarHBondContact CD2-CD2 3.31Å; H421-L471 WeakPolarHBondContact NE2-CD2 3.5Å; F426-L471 HydrophobicContact CD1-CD1 3.79Å; F426-L471 HydrophobicContact CD1-CD2 4.24Å; F426-L471 HydrophobicContact CE1-CD1 4.02Å; F426-L471 HydrophobicContact CE1-CD2 3.61Å; F426-L471 HydrophobicContact CE1-CG 4.45Å; L430-L471 HydrophobicContact CD1-CD1 3.93Å; L430-L471 HydrophobicContact CD2-CD1 3.93Å; V449-L471 HydrophobicContact CB-CB 4.39Å; V449-L471 PolarHBondContact N-O 3.33Å; V449-L471 PolarHBondContact O-N 3.23Å; L457-L471 HydrophobicContact CD1-CD1 4.21Å; L471-F473 HydrophobicContact CB-CD2 4.5Å; L471-F473 HydrophobicContact CB-CE2 3.73Å; L471-F473 HydrophobicContact CB-CZ 4.32Å; L471-F473 HydrophobicContact CD1-CE2 4.47Å; L471-F473 HydrophobicContact CD1-CZ 4.46Å
472Y80.8Confident66.2Low27 Ų2759.7 Ų59.711%0.10632%0.324CS..EExtended strand (participates in β ladder)trans-116.4128.6-178.6-56.1-82.9000110.7V416 I446 L447 T448 V470 V508 P509 C511V416-Y472 PolarHBondContact N-O 3.35Å; I446-Y472 HydrophobicContact CG2-CD1 4.09Å; L447-Y472 WeakPolarHBondContact O-CA 3.46Å; T448-Y472 HydrophobicContact CG2-CD1 3.72Å; T448-Y472 HydrophobicContact CG2-CE1 3.63Å; V470-Y472 HydrophobicContact CG1-CE1 4.11Å; Y472-V508 HydrophobicContact CD1-CG1 3.39Å; Y472-V508 HydrophobicContact CD2-CG1 3.55Å; Y472-V508 HydrophobicContact CD2-CG2 4.33Å; Y472-V508 HydrophobicContact CE1-CG1 3.21Å; Y472-V508 HydrophobicContact CE2-CG1 3.41Å; Y472-V508 VanDerWaalsContact CE2-CG1 3.41Å; Y472-V508 HydrophobicContact CG-CG1 3.53Å; Y472-V508 HydrophobicContact CG-CG2 4.11Å; Y472-P509 HydrophobicContact CD1-CG 4.41Å; Y472-P509 HydrophobicContact CE1-CG 4.2Å; Y472-P509 PolarHBondContact OH-O 2.88Å; Y472-C511 WeakPolarHBondContact OH-CB 3.47Å
473F84.3Confident66.3Low1 Ų162.5 Ų62.50%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-125.2130.8176.7-61.6-90.3000110.1I413 Q414 P415 F426 L431 I446 L447 V449 L471I413-F473 HydrophobicContact CB-CB 4.44Å; I413-F473 HydrophobicContact CD1-CD1 4.24Å; Q414-F473 CarbonylContact O-C 3.59Å; Q414-F473 WeakPolarHBondContact O-CA 3.5Å; P415-F473 HydrophobicContact CB-CD1 4.1Å; P415-F473 HydrophobicContact CB-CE1 4.01Å; F426-F473 HydrophobicContact CD1-CZ 4.37Å; F426-F473 HydrophobicContact CD2-CE1 4.5Å; F426-F473 HydrophobicContact CG-CZ 4.45Å; L431-F473 HydrophobicContact CD2-CD2 4.29Å; L431-F473 HydrophobicContact CD2-CE2 3.87Å; L431-F473 HydrophobicContact CD2-CZ 4.03Å; I446-F473 CarbonylContact C-O 3.54Å; I446-F473 WeakPolarHBondContact CA-O 3.26Å; L447-F473 HydrophobicContact CB-CB 4.4Å; L447-F473 PolarHBondContact N-O 3.36Å; L447-F473 PolarHBondContact O-N 2.73Å; V449-F473 HydrophobicContact CB-CD2 4.44Å; V449-F473 HydrophobicContact CB-CE2 4.16Å; V449-F473 HydrophobicContact CG2-CD2 3.67Å; V449-F473 HydrophobicContact CG2-CE2 3.78Å; L471-F473 HydrophobicContact CB-CD2 4.5Å; L471-F473 HydrophobicContact CB-CE2 3.73Å; L471-F473 HydrophobicContact CB-CZ 4.32Å; L471-F473 HydrophobicContact CD1-CE2 4.47Å; L471-F473 HydrophobicContact CD1-CZ 4.46Å
474K85.1Confident66.6Low75 Ų7565.9 Ų65.933%0.32633%0.332SS..EExtended strand (participates in β ladder)trans-93.7130175.4-172.2174.2-1781760110.3I413 Q414 V416 D445 Q476I413-K474 WeakPolarHBondContact CA-O 3.33Å; Q414-K474 PolarHBondContact N-O 2.72Å; Q414-K474 PolarHBondContact O-N 3.4Å; V416-K474 HydrophobicContact CG2-CB 4.11Å; D445-K474 CarbonylContact O-C 3.58Å; D445-K474 WeakPolarHBondContact O-CA 3.4Å; K474-Q476 PolarHBondContact O-N 2.99Å
475V85.4Confident66.4Low1 Ų168 Ų681%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-80.8112.3176.8-177.80000109.3L411 I413 G444 D445 L447 V478L411-V475 HydrophobicContact CD1-CG1 4.22Å; I413-V475 HydrophobicContact CG2-CG2 4.41Å; G444-V475 WeakPolarHBondContact CA-O 3.37Å; G444-V475 PolarHBondContact N-O 3.45Å; D445-V475 HydrophobicContact CB-CB 4.43Å; D445-V475 HydrophobicContact CB-CG2 4.16Å; D445-V475 PolarHBondContact O-N 3.49Å; L447-V475 HydrophobicContact CD1-CG2 3.85Å; L447-V475 HydrophobicContact CD2-CG2 4.45Å; L447-V475 HydrophobicContact CG-CG2 3.94Å; V475-V478 HydrophobicContact CG1-CG2 3.36Å
476Q82.4Confident66.6Low96 Ų9666.4 Ų66.445%0.44937%0.367SS..EExtended strand (participates in β ladder)trans-84.7-42.7-178-170.5-177.812.800111.9H412 Q443 K474H412-Q476 HydrophobicContact CB-CB 4.38Å; H412-Q476 PolarHBondContact O-N 3.1Å; Q443-Q476 VanDerWaalsContact CG-O 3.31Å; Q443-Q476 WeakPolarHBondContact CG-O 3.43Å; Q443-Q476 PolarHBondContact NE2-O 3.06Å; K474-Q476 PolarHBondContact O-N 2.99Å
477K80.7Confident67Low97 Ų9764.6 Ų64.642%0.42236%0.363SS..EExtended strand (participates in β ladder)trans-152.9137.9-176.1-168.7-178.8179.6-168.70110H412 L479H412-K477 HydrophobicContact CB-CB 4.18Å; H412-K477 PolarHBondContact N-O 3.36Å; K477-L479 HydrophobicContact CD-CG 4.5Å
478V81.1Confident67.6Low23 Ų2356.7 Ų56.714%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-125.2128172.7-166.20000107.7A408 L411 V441 V475 L489A408-V478 HydrophobicContact CB-CG1 3.6Å; L411-V478 HydrophobicContact CD1-CG1 4.14Å; L411-V478 HydrophobicContact CD1-CG2 3.92Å; V441-V478 HydrophobicContact CG2-CG1 4.16Å; V441-V478 HydrophobicContact CG2-CG2 4.47Å; V475-V478 HydrophobicContact CG1-CG2 3.36Å; V478-L489 HydrophobicContact CB-CD1 4.2Å; V478-L489 HydrophobicContact CG1-CB 4.13Å; V478-L489 HydrophobicContact CG1-CD1 3.45Å; V478-L489 VanDerWaalsContact CG1-CD1 3.45Å; V478-L489 HydrophobicContact CG1-CG 4.4Å
479L80.1Confident68.6Low52 Ų5256.9 Ų56.927%0.27234%0.338SS..EExtended strand (participates in β ladder)trans-111.1129.8177.6-73.8168.7000110.7A408 T409 E410 K477A408-L479 CarbonylContact C-O 3.58Å; A408-L479 WeakPolarHBondContact CA-O 3.18Å; T409-L479 PolarHBondContact N-O 3.4Å; T409-L479 PolarHBondContact OG1-O 2.95Å; E410-L479 HydrophobicContact CB-CB 4.25Å; E410-L479 HydrophobicContact CB-CD1 4.29Å; E410-L479 PolarHBondContact O-N 3.49Å; E410-L479 WeakPolarHBondContact OE2-CD1 3.42Å; K477-L479 HydrophobicContact CD-CG 4.5Å
480P74.5Confident69.5Low34 Ų3457.1 Ų57.122%0.22134%0.338CS..EExtended strand (participates in β ladder)trans-80.7155.3176.132.3-35.1000112.2A482 L489P480-A482 WeakPolarHBondContact CB-O 3.41Å; P480-A482 WeakPolarHBondContact CG-O 3.48Å; P480-A482 PolarHBondContact O-N 3.06Å; P480-L489 HydrophobicContact CB-CD1 4.05Å; P480-L489 HydrophobicContact CB-CD2 3.98Å
481S60.9Low70Confident97 Ų9757 Ų5768%0.67834%0.337SS*.SBendtrans-58.9-24.5170.7164.60000114.1
482A54.7Low70.2Confident60 Ų6058 Ų5850%0.49634%0.343SS..SBendtrans-130.9141176.100000110.2P480 R484P480-A482 WeakPolarHBondContact CB-O 3.41Å; P480-A482 WeakPolarHBondContact CG-O 3.48Å; P480-A482 PolarHBondContact O-N 3.06Å; A482-R484 VanDerWaalsContact C-N 3.27Å; A482-R484 PolarHBondContact O-N 3.34Å
483N44.3Very low70.2Confident178 Ų17862.9 Ų62.995%0.95237%0.367SS*.SBendtrans-5880.7178.8-103.3-5.7000112
484R49.6Very low69.9Low156 Ų15666.8 Ų66.859%0.58940%0.399SS*.  trans-134.9116.7169.8-66.8-165.1-172.2-152.63.4107.7A482A482-R484 VanDerWaalsContact C-N 3.27Å; A482-R484 PolarHBondContact O-N 3.34Å
485G39.2Very low69.5Low81 Ų8168.4 Ų68.484%0.83541%0.408SS*.  trans-80.1139179.300000112.1
486G50.1Low69.4Low85 Ų8569.1 Ų69.188%0.87641%0.412SS*.SBendtrans103-1.4151.900000118.8
487E57.8Low69.5Low78 Ų7866.7 Ų66.736%0.36441%0.406SS..  trans-100.8149.9-179.5-65-167.8141.100113
488A66.5Low69.6Low20 Ų2065.3 Ų65.317%0.16540%0.402CS..  trans-63.713217500000110.3L338 V440L338-A488 HydrophobicContact CB-CB 4.21Å; V440-A488 HydrophobicContact CG1-CB 3.66Å
489L77.3Confident69.8Low13 Ų1369.4 Ų69.47%0.06842%0.416CS..EExtended strand (participates in β ladder)trans-111.7154.7-172.5-70.2159.4000110.6P406 A408 V440 V441 V478 P480P406-L489 HydrophobicContact CB-CD2 4.06Å; P406-L489 HydrophobicContact CG-CD2 3.85Å; P406-L489 WeakPolarHBondContact O-CD2 3.27Å; A408-L489 HydrophobicContact CB-CB 4.1Å; A408-L489 HydrophobicContact CB-CD1 4.32Å; V440-L489 CarbonylContact C-O 3.52Å; V440-L489 WeakPolarHBondContact CA-O 3.37Å; V441-L489 HydrophobicContact CG2-CB 4.49Å; V441-L489 WeakPolarHBondContact CG2-O 3.44Å; V441-L489 PolarHBondContact N-O 3.37Å; V441-L489 PolarHBondContact O-N 2.91Å; V478-L489 HydrophobicContact CB-CD1 4.2Å; V478-L489 HydrophobicContact CG1-CB 4.13Å; V478-L489 HydrophobicContact CG1-CD1 3.45Å; V478-L489 VanDerWaalsContact CG1-CD1 3.45Å; V478-L489 HydrophobicContact CG1-CG 4.4Å; P480-L489 HydrophobicContact CB-CD1 4.05Å; P480-L489 HydrophobicContact CB-CD2 3.98Å
490L78.3Confident70Confident17 Ų1771.1 Ų71.19%0.08942%0.424CS..EExtended strand (participates in β ladder)trans-88.9133.5170.4-73.6172.4000111L405 P406 F407 A408 R439 V440L405-L490 HydrophobicContact CB-CD1 3.69Å; L405-L490 HydrophobicContact CB-CG 3.73Å; L405-L490 HydrophobicContact CD1-CD2 4.41Å; L405-L490 HydrophobicContact CD1-CG 4.24Å; P406-L490 PolarHBondContact O-N 3.5Å; F407-L490 CarbonylContact C-O 3.58Å; F407-L490 VanDerWaalsContact CA-O 3.27Å; F407-L490 WeakPolarHBondContact CA-O 3.5Å; F407-L490 HydrophobicContact CD1-CB 3.73Å; F407-L490 HydrophobicContact CE1-CB 3.93Å; F407-L490 HydrophobicContact CE1-CD1 4.35Å; F407-L490 HydrophobicContact CG-CB 4.42Å; F407-L490 HydrophobicContact CZ-CD1 4.5Å; A408-L490 PolarHBondContact N-O 2.83Å; R439-L490 CarbonylContact O-C 3.59Å; R439-L490 WeakPolarHBondContact O-CA 3.29Å; V440-L490 HydrophobicContact CG2-CD2 3.68Å
491A80.4Confident70.1Confident0 Ų071 Ų710%043%0.43CS..EExtended strand (participates in β ladder)trans-112.7136.4170.400000110.7F435 P438 R439 V441 T496F435-A491 HydrophobicContact CD1-CB 4.17Å; F435-A491 HydrophobicContact CE1-CB 4.03Å; P438-A491 CarbonylContact C-O 3.52Å; P438-A491 VanDerWaalsContact CA-O 3.3Å; P438-A491 WeakPolarHBondContact CA-O 3.29Å; R439-A491 PolarHBondContact N-O 3.07Å; R439-A491 PolarHBondContact O-N 3.46Å; V441-A491 HydrophobicContact CG1-CB 4.08Å; V441-A491 HydrophobicContact CG2-CB 3.82Å; A491-T496 HydrophobicContact CB-CG2 4.2Å
492D81.4Confident71Confident27 Ų2771.7 Ų71.714%0.14443%0.43CS..  trans-155.2155.4-171.8-179.732.5000109.7F407 P438 A494 H495 T496F407-D492 HydrophobicContact CD1-CB 4.23Å; F407-D492 HydrophobicContact CE1-CB 4.03Å; P438-D492 HydrophobicContact CB-CB 4.29Å; D492-A494 VanDerWaalsContact C-N 3.31Å; D492-A494 PolarHBondContact O-N 2.74Å; D492-H495 IonicContact OD2-CE1 3.94Å; D492-H495 IonicContact OD2-ND1 2.75Å; D492-H495 PolarHBondContact OD2-ND1 2.96Å; D492-T496 PolarHBondContact N-OG1 3.29Å; D492-T496 WeakPolarHBondContact O-CB 3.36Å; D492-T496 PolarHBondContact O-N 3.03Å; D492-T496 PolarHBondContact O-OG1 3.37Å
493E79.6Confident72.2Confident130 Ų13073.3 Ų73.361%0.60743%0.425SS*.THydrogen-bonded Turntrans-60.3-37.6-178.2-171.8-178.917800112.6F435F435-E493 PolarHBondContact O-N 3.05Å
494A78.8Confident73.8Confident83 Ų8366.1 Ų66.169%0.68639%0.388SS*.THydrogen-bonded Turntrans-80.1-24.5-172.800000114.6D492D492-A494 VanDerWaalsContact C-N 3.31Å; D492-A494 PolarHBondContact O-N 2.74Å
495H76.9Confident75Confident108 Ų10862.4 Ų62.450%0.538%0.38SS..THydrogen-bonded Turntrans-116.5-14.6-166.8-59.393.8000114F407 D492F407-H495 HydrophobicContact CB-CB 3.99Å; F407-H495 HydrophobicContact CD1-CB 4.21Å; F407-H495 HydrophobicContact CG-CB 4.11Å; D492-H495 IonicContact OD2-CE1 3.94Å; D492-H495 IonicContact OD2-ND1 2.75Å; D492-H495 PolarHBondContact OD2-ND1 2.96Å
496T83.3Confident76.8Confident16 Ų1658.8 Ų58.810%0.09834%0.342CS..  trans-125131.3-166.374.10000112.2A408 A491 D492A408-T496 HydrophobicContact CB-CG2 4.2Å; A408-T496 WeakPolarHBondContact O-CG2 3.35Å; A491-T496 HydrophobicContact CB-CG2 4.2Å; D492-T496 PolarHBondContact N-OG1 3.29Å; D492-T496 WeakPolarHBondContact O-CB 3.36Å; D492-T496 PolarHBondContact O-N 3.03Å; D492-T496 PolarHBondContact O-OG1 3.37Å
497S84.1Confident77.9Confident45 Ų4556.7 Ų56.732%0.31531%0.313SS..EExtended strand (participates in β ladder)trans-92.4129.4173.461.90000111.1T409 L411T409-S497 PolarHBondContact O-N 3.32Å; T409-S497 PolarHBondContact O-OG 3.21Å; L411-S497 PolarHBondContact N-O 3.34Å
498L83.5Confident78.6Confident68 Ų6853.5 Ų53.536%0.35630%0.299SS..EExtended strand (participates in β ladder)trans-97.1125.1-177.5-69.8166.3000110.9L411 I413 F435L411-L498 HydrophobicContact CB-CD2 4.01Å; L411-L498 HydrophobicContact CD2-CD2 3.27Å; L411-L498 HydrophobicContact CG-CD2 4.17Å; I413-L498 HydrophobicContact CD1-CD2 4.4Å; F435-L498 HydrophobicContact CD2-CD1 3.72Å; F435-L498 HydrophobicContact CD2-CD2 4.25Å; F435-L498 HydrophobicContact CE2-CD1 3.94Å; F435-L498 HydrophobicContact CE2-CD2 3.76Å; F435-L498 HydrophobicContact CZ-CD2 4.1Å
499Y84.7Confident78.6Confident109 Ų10952.5 Ų52.543%0.42729%0.291SS..EExtended strand (participates in β ladder)trans-115.1123.8172.8-65-77.5000110.3E410 L411 H412 I413E410-Y499 HydrophobicContact CB-CD2 4.45Å; E410-Y499 HydrophobicContact CB-CE2 4.12Å; E410-Y499 HydrophobicContact CG-CE2 4.11Å; L411-Y499 PolarHBondContact O-N 3.38Å; H412-Y499 WeakPolarHBondContact CA-O 3.32Å; H412-Y499 AromaticContact CE1-CD2 3.63Å; H412-Y499 AromaticContact CE1-CG 3.74Å; H412-Y499 WeakPolarHBondContact ND1-CB 3.35Å; H412-Y499 AromaticContact ND1-CG 3.95Å; H412-Y499 AromaticContact NE2-CD2 3.89Å; I413-Y499 PolarHBondContact N-O 2.7Å
500M83.4Confident77.8Confident88 Ų8852.6 Ų52.643%0.43329%0.292SS..EExtended strand (participates in β ladder)trans-97.2122.1179.4-161.3175.5-50.500111.2I413 F426 L431I413-M500 CarbonylContact O-C 3.57Å; I413-M500 WeakPolarHBondContact O-CA 2.94Å; F426-M500 HydrophobicContact CD2-SD 4.05Å; L431-M500 HydrophobicContact CD1-CE 3.58Å
501G78Confident76.6Confident33 Ų3352.6 Ų52.634%0.3429%0.294SS..  trans-93.3-175.6174.700000113.2I413 P415I413-G501 PolarHBondContact O-N 3.44Å; P415-G501 VanDerWaalsContact CD-O 3.29Å; P415-G501 WeakPolarHBondContact CD-O 3.18Å
502T79.6Confident75.2Confident111 Ų11154 Ų5468%0.68130%0.303SS*.  trans-71.2163.3175.953.30000112.5Q414Q414-T502 WeakPolarHBondContact CB-O 3.3Å; Q414-T502 WeakPolarHBondContact CG-O 3.3Å
503F78.3Confident73.4Confident93 Ų9353.9 Ų53.941%0.40830%0.303SS..  trans-57.7140.1178.6-73.9-88.2000112.8P415 F426P415-F503 HydrophobicContact CB-CD1 3.88Å; P415-F503 HydrophobicContact CB-CE1 3.78Å; P415-F503 HydrophobicContact CB-CZ 4.46Å; P415-F503 HydrophobicContact CG-CD1 3.73Å; P415-F503 HydrophobicContact CG-CD2 4.36Å; P415-F503 HydrophobicContact CG-CE1 3.81Å; P415-F503 HydrophobicContact CG-CE2 4.42Å; P415-F503 HydrophobicContact CG-CG 4.03Å; P415-F503 HydrophobicContact CG-CZ 4.16Å; P415-F503 CarbonylContact O-C 3.58Å; P415-F503 VanDerWaalsContact O-CA 3.3Å; P415-F503 WeakPolarHBondContact O-CA 3.25Å; F426-F503 HydrophobicContact CE2-CE1 4.08Å; F426-F503 AromaticContact CE2-CZ 3.88Å; F426-F503 HydrophobicContact CE2-CZ 3.88Å; F426-F503 HydrophobicContact CZ-CE1 4.02Å; F426-F503 HydrophobicContact CZ-CZ 4.13Å
504T78.4Confident71.4Confident28 Ų2850 Ų5017%0.17229%0.287CS..BIsolated β-bridgetrans-124.7156.5175.556.90000113.1Q414 P415 V416 S417Q414-T504 HydrophobicContact CB-CG2 3.85Å; Q414-T504 HydrophobicContact CG-CG2 4.16Å; P415-T504 PolarHBondContact O-N 3.16Å; V416-T504 WeakPolarHBondContact CA-O 3.34Å; S417-T504 PolarHBondContact N-O 3.01Å
505N75.6Confident69.7Low77 Ų7754 Ų5441%0.41229%0.291SS..  trans-103.5112.9-179.5-83.12.3000108.6S417 A614 Q616S417-N505 PolarHBondContact OG-OD1 3.01Å; N505-A614 PolarHBondContact ND2-O 2.97Å; N505-A614 PolarHBondContact OD1-O 2.91Å; N505-Q616 WeakPolarHBondContact CB-O 3.44Å
506S75.9Confident68.1Low5 Ų556 Ų564%0.03530%0.3CS..  trans-145.9152.6176.170.90000111.1V416 H582V416-S506 WeakPolarHBondContact CG1-OG 3.44Å; V416-S506 WeakPolarHBondContact CG2-OG 3.5Å; S506-H582 PolarHBondContact O-NE2 2.84Å
507P73.1Confident66.6Low41 Ų4157.4 Ų57.427%0.26631%0.311SS..  trans-59.6155.3162.725.2-28.7000109.1F365 I446 N580 P617F365-P507 HydrophobicContact CE2-CB 4.08Å; F365-P507 HydrophobicContact CE2-CG 4.27Å; F365-P507 HydrophobicContact CZ-CB 4.17Å; F365-P507 HydrophobicContact CZ-CG 3.99Å; F365-P507 WeakPolarHBondContact CZ-O 3.44Å; I446-P507 WeakPolarHBondContact CD1-O 3.4Å; P507-N580 VanDerWaalsContact CB-O 3.3Å; P507-N580 WeakPolarHBondContact CB-O 3.14Å; P507-P617 HydrophobicContact CB-CG 4.07Å; P507-P617 HydrophobicContact CG-CG 4.32Å
508V72.4Confident64.9Low11 Ų1157.9 Ų57.97%0.06731%0.31CS..  trans-133.8134.4-169.7161.20000109.5V416 Y472 N580 H582V416-V508 HydrophobicContact CB-CG2 4.4Å; V416-V508 HydrophobicContact CG1-CG2 3.68Å; Y472-V508 HydrophobicContact CD1-CG1 3.39Å; Y472-V508 HydrophobicContact CD2-CG1 3.55Å; Y472-V508 HydrophobicContact CD2-CG2 4.33Å; Y472-V508 HydrophobicContact CE1-CG1 3.21Å; Y472-V508 HydrophobicContact CE2-CG1 3.41Å; Y472-V508 VanDerWaalsContact CE2-CG1 3.41Å; Y472-V508 HydrophobicContact CG-CG1 3.53Å; Y472-V508 HydrophobicContact CG-CG2 4.11Å; V508-N580 PolarHBondContact N-O 3.31Å; V508-N580 CarbonylContact O-C 3.55Å; V508-N580 WeakPolarHBondContact O-CA 3.45Å; V508-N580 WeakPolarHBondContact O-CB 3.45Å; V508-H582 WeakPolarHBondContact CG2-CE1 3.47Å
509P67.3Low63.4Low0 Ų056.4 Ų56.40%030%0.3CS..  trans-60.4143.4176.623.7-32.6000110.8T362 F365 I446 T448 Y472 C511T362-P509 HydrophobicContact CG2-CG 4.18Å; F365-P509 HydrophobicContact CB-CB 3.8Å; F365-P509 HydrophobicContact CB-CG 4.48Å; F365-P509 HydrophobicContact CD1-CB 4.49Å; F365-P509 HydrophobicContact CD1-CG 4.4Å; F365-P509 HydrophobicContact CD2-CB 4.31Å; F365-P509 HydrophobicContact CG-CB 3.94Å; F365-P509 HydrophobicContact CG-CG 4.33Å; I446-P509 HydrophobicContact CG2-CG 4.29Å; T448-P509 HydrophobicContact CG2-CG 4.14Å; Y472-P509 HydrophobicContact CD1-CG 4.41Å; Y472-P509 HydrophobicContact CE1-CG 4.2Å; Y472-P509 PolarHBondContact OH-O 2.88Å; P509-C511 PolarHBondContact O-N 3.47Å; P509-C511 VanDerWaalsContact O-N 3.1Å
510C61.7Low61.8Low14 Ų1451.6 Ų51.610%0.09528%0.282CS..  trans-70.4109.3176.266.70000111.3L373 R577 N580L373-C510 HydrophobicContact CD1-CB 4.49Å; L373-C510 WeakPolarHBondContact CD1-SG 3.4Å; C510-R577 HydrophobicContact CB-CB 4.15Å; C510-R577 HydrophobicContact CB-CG 4.29Å; C510-N580 PolarHBondContact N-OD1 3.2Å
511C52.6Low60.7Low18 Ų1849.9 Ų49.912%0.12228%0.278CS..  trans-91.6113162.5-62.60000108.7T448 V470 Y472 P509 V513T448-C511 VanDerWaalsContact CG2-SG 3.52Å; V470-C511 HydrophobicContact CB-CB 4.32Å; V470-C511 HydrophobicContact CG1-CB 4.49Å; V470-C511 HydrophobicContact CG2-CB 3.93Å; Y472-C511 WeakPolarHBondContact OH-CB 3.47Å; P509-C511 PolarHBondContact O-N 3.47Å; P509-C511 VanDerWaalsContact O-N 3.1Å; C511-V513 HydrophobicContact CB-CG2 3.95Å; C511-V513 PolarHBondContact O-N 2.99Å
512C49.8Very low59.8Low30 Ų3050.2 Ų50.220%0.20327%0.272CS..THydrogen-bonded Turntrans-80.161.6179.4-63.50000111.1D272D272-C512 VanDerWaalsContact OD2-CA 3.3Å; D272-C512 WeakPolarHBondContact OD2-CA 3.25Å; D272-C512 WeakPolarHBondContact OD2-CB 3.27Å; D272-C512 PolarHBondContact OD2-N 3.19Å
513V43.8Very low58.7Low23 Ų2347.4 Ų47.414%0.13926%0.255CS..THydrogen-bonded Turntrans-108.3-8.8-176.7-159.50000113.2K452 P469 V470 C511 E515K452-V513 HydrophobicContact CD-CG1 4.45Å; K452-V513 VanDerWaalsContact NZ-CG1 3.28Å; P469-V513 HydrophobicContact CB-CB 3.42Å; P469-V513 VanDerWaalsContact CB-CB 3.42Å; P469-V513 HydrophobicContact CB-CG1 3.19Å; P469-V513 HydrophobicContact CB-CG2 4.48Å; P469-V513 HydrophobicContact CG-CB 3.5Å; P469-V513 HydrophobicContact CG-CG1 3.86Å; V470-V513 HydrophobicContact CG2-CB 4.28Å; V470-V513 HydrophobicContact CG2-CG2 3.77Å; C511-V513 HydrophobicContact CB-CG2 3.95Å; C511-V513 PolarHBondContact O-N 2.99Å; V513-E515 PolarHBondContact O-N 3.3Å; V513-E515 VanDerWaalsContact O-N 3.16Å
514D39.3Very low58.3Low50 Ų5043 Ų4327%0.26724%0.236SC..SBendtrans-72.8102.5166.4-76.5-13.4000110.2Q420Q420-D514 PolarHBondContact NE2-OD2 3.28Å
515E41.3Very low57.9Low167 Ų16743.3 Ų43.378%0.7824%0.239SC*.  trans28.797159.4-67.2-174.8166.200117.5V513 S517V513-E515 PolarHBondContact O-N 3.3Å; V513-E515 VanDerWaalsContact O-N 3.16Å; E515-S517 PolarHBondContact O-N 3.2Å; E515-S517 PolarHBondContact O-OG 2.79Å
516E45.3Very low57.7Low148 Ų14840.2 Ų40.269%0.69223%0.226SC*.SBend44.99.2129.3-63.5-170174.600121.3R54R54-E516 IonicContact CZ-OE2 2.83Å; R54-E516 IonicContact NH2-OE2 3.54Å; R54-E516 PolarHBondContact NH2-OE2 3.18Å
517S51Low57.9Low46 Ų4640.7 Ų40.732%0.32223%0.227SC..  trans-104.5125.6176.153.60000111E515 W519 S520E515-S517 PolarHBondContact O-N 3.2Å; E515-S517 PolarHBondContact O-OG 2.79Å; S517-W519 PolarHBondContact O-N 3.48Å; S517-S520 VanDerWaalsContact O-CB 3.26Å; S517-S520 WeakPolarHBondContact O-CB 3.27Å; S517-S520 PolarHBondContact O-N 3.36Å; S517-S520 PolarHBondContact O-OG 3.47Å
518L48.8Very low58.2Low56 Ų5641.4 Ų41.429%0.29323%0.229SC..G310 helixtrans-50.9-26.8175.7-74.6164.1000113.8S520 S521 G696 R699 E700L518-S520 PolarHBondContact O-N 3.48Å; L518-S521 WeakPolarHBondContact O-CB 3.37Å; L518-S521 PolarHBondContact O-N 3.16Å; L518-S521 VanDerWaalsContact O-N 3.16Å; L518-G696 WeakPolarHBondContact CD1-O 3.22Å; L518-R699 HydrophobicContact CD1-CB 3.75Å; L518-E700 HydrophobicContact CD1-CG 3.76Å; L518-E700 WeakPolarHBondContact CD1-OE1 3.26Å; L518-E700 HydrophobicContact CG-CG 4.42Å; L518-E700 VanDerWaalsContact CG-OE1 3.25Å; L518-E700 WeakPolarHBondContact CG-OE1 3.03Å; L518-E700 PolarHBondContact N-OE1 3.26Å
519W52.2Low58.7Low37 Ų3748.3 Ų48.314%0.1426%0.258CS..G310 helixtrans-74.9-7.6176.7-62.8108.6000115S517 S521 P524 S525 T570 M693 L697 L721S517-W519 PolarHBondContact O-N 3.48Å; W519-S521 VanDerWaalsContact C-N 3.32Å; W519-P524 HydrophobicContact CE3-CB 3.73Å; W519-P524 HydrophobicContact CZ3-CB 3.8Å; W519-S525 WeakPolarHBondContact CH2-O 2.93Å; W519-S525 WeakPolarHBondContact CH2-OG 3.36Å; W519-S525 WeakPolarHBondContact CZ3-O 3.39Å; W519-T570 HydrophobicContact CB-CG2 3.84Å; W519-T570 HydrophobicContact CE3-CG2 4.03Å; W519-T570 WeakPolarHBondContact O-CG2 3.43Å; W519-M693 HydrophobicContact CH2-CB 4.11Å; W519-M693 HydrophobicContact CH2-CG 3.95Å; W519-L697 HydrophobicContact CZ2-CD1 4.08Å; W519-L697 HydrophobicContact CZ2-CD2 3.99Å; W519-L697 HydrophobicContact CZ2-CG 3.66Å; W519-L721 HydrophobicContact CD2-CD2 4.46Å; W519-L721 HydrophobicContact CE3-CD2 4.22Å; W519-L721 HydrophobicContact CH2-CD1 3.41Å; W519-L721 VanDerWaalsContact CH2-CD1 3.41Å; W519-L721 HydrophobicContact CH2-CD2 4.36Å; W519-L721 HydrophobicContact CZ2-CD1 3.32Å; W519-L721 HydrophobicContact CZ3-CD1 4.06Å; W519-L721 HydrophobicContact CZ3-CD2 4.17Å
520S50.3Low59.5Low8 Ų849.8 Ų49.86%0.05627%0.267CS..G310 helixtrans-83.3-12169.980.50000111.6S517 L518 R577S517-S520 VanDerWaalsContact O-CB 3.26Å; S517-S520 WeakPolarHBondContact O-CB 3.27Å; S517-S520 PolarHBondContact O-N 3.36Å; S517-S520 PolarHBondContact O-OG 3.47Å; L518-S520 PolarHBondContact O-N 3.48Å; S520-R577 VanDerWaalsContact C-NH1 3.31Å; S520-R577 WeakPolarHBondContact O-CD 3.38Å; S520-R577 PolarHBondContact O-NH1 3.44Å; S520-R577 PolarHBondContact OG-NH1 3.12Å
521S60.5Low60.6Low51 Ų5149.1 Ų49.136%0.35726%0.263SS..SBendtrans-58.9157.3-179.3-169.50000113.8L518 W519 T523L518-S521 WeakPolarHBondContact O-CB 3.37Å; L518-S521 PolarHBondContact O-N 3.16Å; L518-S521 VanDerWaalsContact O-N 3.16Å; W519-S521 VanDerWaalsContact C-N 3.32Å; S521-T523 PolarHBondContact O-N 3.13Å; S521-T523 VanDerWaalsContact O-N 3.15Å
522L58Low62.1Low41 Ų4151.3 Ų51.322%0.21527%0.273CS..SBendtrans-58.8-21.7175.3-72.5158.3000112.8L373 R577 R578L373-L522 HydrophobicContact CB-CD2 4.4Å; L373-L522 HydrophobicContact CD1-CD1 4.4Å; L373-L522 HydrophobicContact CD1-CD2 3.58Å; L522-R577 HydrophobicContact CD2-CB 4.02Å; L522-R578 HydrophobicContact CD2-CG 4.04Å; L522-R578 PolarHBondContact O-NE 3.31Å; L522-R578 PolarHBondContact O-NH2 3.42Å
523T58.1Low63.8Low52 Ų5253.9 Ų53.932%0.31929%0.285SS..SBendtrans-13390.8178.551.60000109.9V375 S521 S525 N528 R578V375-T523 HydrophobicContact CB-CG2 4.44Å; V375-T523 HydrophobicContact CG1-CG2 3.48Å; V375-T523 VanDerWaalsContact CG1-CG2 3.48Å; V375-T523 HydrophobicContact CG2-CG2 4.15Å; S521-T523 PolarHBondContact O-N 3.13Å; S521-T523 VanDerWaalsContact O-N 3.15Å; T523-S525 PolarHBondContact O-N 3.18Å; T523-N528 WeakPolarHBondContact CA-OD1 3.48Å; T523-N528 WeakPolarHBondContact CB-OD1 3.26Å; T523-R578 VanDerWaalsContact CG2-NH2 3.28Å
524P68.6Low65.8Low1 Ų152.9 Ų52.91%0.00628%0.279CS..  trans-63.7123.1169.825.8-32000109.2W519 G526 L527 N528 V531 T570 A574W519-P524 HydrophobicContact CE3-CB 3.73Å; W519-P524 HydrophobicContact CZ3-CB 3.8Å; P524-G526 PolarHBondContact O-N 3.1Å; P524-L527 HydrophobicContact CB-CB 4.38Å; P524-L527 HydrophobicContact CG-CB 4.1Å; P524-L527 PolarHBondContact O-N 3.22Å; P524-N528 PolarHBondContact O-OD1 3.42Å; P524-V531 HydrophobicContact CG-CG2 3.91Å; P524-T570 HydrophobicContact CB-CG2 4.13Å; P524-A574 HydrophobicContact CG-CB 3.92Å
525S69.9Low67.9Low33 Ų3350.9 Ų50.923%0.23127%0.268CS..THydrogen-bonded Turntrans-59130.6-179.146.70000111W519 T523 L527 A692 M693W519-S525 WeakPolarHBondContact CH2-O 2.93Å; W519-S525 WeakPolarHBondContact CH2-OG 3.36Å; W519-S525 WeakPolarHBondContact CZ3-O 3.39Å; T523-S525 PolarHBondContact O-N 3.18Å; S525-L527 VanDerWaalsContact C-N 3.32Å; S525-L527 PolarHBondContact O-N 3.3Å; S525-A692 VanDerWaalsContact CB-O 3.23Å; S525-A692 WeakPolarHBondContact CB-O 3.4Å; S525-A692 PolarHBondContact OG-O 2.78Å; S525-M693 VanDerWaalsContact O-CG 3.28Å; S525-M693 WeakPolarHBondContact O-CG 3.37Å
526G71.5Confident69.8Low13 Ų1348 Ų4813%0.13426%0.258CS..THydrogen-bonded Turntrans83.5-13.4-178.200000116.1P524 Q689P524-G526 PolarHBondContact O-N 3.1Å; G526-Q689 WeakPolarHBondContact O-CG 3.12Å
527L79.9Confident71.6Confident14 Ų1443 Ų437%0.07324%0.236CC..  trans-114.411.2-177.5-64.2176.7000114.2P524 S525 K529 T530 V531 V571 M682 M693 L721P524-L527 HydrophobicContact CB-CB 4.38Å; P524-L527 HydrophobicContact CG-CB 4.1Å; P524-L527 PolarHBondContact O-N 3.22Å; S525-L527 VanDerWaalsContact C-N 3.32Å; S525-L527 PolarHBondContact O-N 3.3Å; L527-K529 VanDerWaalsContact C-N 3.34Å; L527-K529 PolarHBondContact O-N 3.49Å; L527-T530 PolarHBondContact O-N 2.92Å; L527-T530 PolarHBondContact O-OG1 3.47Å; L527-V531 WeakPolarHBondContact O-CG2 3.38Å; L527-V531 PolarHBondContact O-N 3.09Å; L527-V571 HydrophobicContact CB-CG2 4.16Å; L527-V571 HydrophobicContact CD1-CG2 3.8Å; L527-V571 HydrophobicContact CG-CG2 4.42Å; L527-M682 HydrophobicContact CD2-CE 3.82Å; L527-M693 HydrophobicContact CD2-CE 3.68Å; L527-M693 HydrophobicContact CG-CE 3.89Å; L527-L721 HydrophobicContact CD1-CD2 4.09Å
528N81Confident73Confident57 Ų5741 Ų4131%0.30522%0.222SC..Hα-helixtrans-59.3-41.5-175.4-69-33.7000113T523 P524 T530 V531 D532T523-N528 WeakPolarHBondContact CA-OD1 3.48Å; T523-N528 WeakPolarHBondContact CB-OD1 3.26Å; P524-N528 PolarHBondContact O-OD1 3.42Å; N528-T530 VanDerWaalsContact C-N 3.29Å; N528-T530 PolarHBondContact O-N 3.25Å; N528-V531 PolarHBondContact O-N 3.25Å; N528-V531 VanDerWaalsContact O-N 3.1Å; N528-D532 PolarHBondContact O-N 2.93Å; N528-D532 VanDerWaalsContact O-OD2 3.13Å
529K82.6Confident74.4Confident156 Ų15640 Ų4068%0.67822%0.217SC*.Hα-helixtrans-56.5-40.9-179.1-64-175.5-179.5179.80112.9L527 L533L527-K529 VanDerWaalsContact C-N 3.34Å; L527-K529 PolarHBondContact O-N 3.49Å; K529-L533 WeakPolarHBondContact O-CB 2.99Å; K529-L533 PolarHBondContact O-N 2.96Å; K529-L533 VanDerWaalsContact O-N 3.12Å
530T83.7Confident75.4Confident30 Ų3040.8 Ų40.818%0.18423%0.226CC..Hα-helixtrans-77.6-32.3179.854.20000111.9L527 N528 L534L527-T530 PolarHBondContact O-N 2.92Å; L527-T530 PolarHBondContact O-OG1 3.47Å; N528-T530 VanDerWaalsContact C-N 3.29Å; N528-T530 PolarHBondContact O-N 3.25Å; T530-L534 WeakPolarHBondContact O-CG 3.44Å; T530-L534 PolarHBondContact O-N 3.08Å
531V84.6Confident76.3Confident0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-65.2-44.4172.1177.70000110.7P524 L527 N528 L534 C535 V571 A574 A575P524-V531 HydrophobicContact CG-CG2 3.91Å; L527-V531 WeakPolarHBondContact O-CG2 3.38Å; L527-V531 PolarHBondContact O-N 3.09Å; N528-V531 PolarHBondContact O-N 3.25Å; N528-V531 VanDerWaalsContact O-N 3.1Å; V531-L534 PolarHBondContact O-N 3.02Å; V531-C535 PolarHBondContact O-N 3.49Å; V531-C535 PolarHBondContact O-SG 3.46Å; V531-V571 HydrophobicContact CB-CG1 4.46Å; V531-V571 HydrophobicContact CG2-CB 4.31Å; V531-V571 HydrophobicContact CG2-CG1 3.67Å; V531-A574 HydrophobicContact CG1-CB 4.2Å; V531-A574 HydrophobicContact CG2-CB 3.97Å; V531-A575 HydrophobicContact CG1-CB 4.39Å
532D83.9Confident76.7Confident65 Ų6542.1 Ų42.135%0.34823%0.227SC..Hα-helixtrans-59.1-50.4177.4-63.4-27.8000109.9N528 L534 C535 D536 R578N528-D532 PolarHBondContact O-N 2.93Å; N528-D532 VanDerWaalsContact O-OD2 3.13Å; D532-L534 VanDerWaalsContact C-N 3.34Å; D532-L534 PolarHBondContact O-N 2.73Å; D532-C535 WeakPolarHBondContact O-CA 3.39Å; D532-C535 WeakPolarHBondContact O-CB 3.49Å; D532-C535 PolarHBondContact O-N 3.38Å; D532-D536 VanDerWaalsContact O-CG 3.29Å; D532-D536 PolarHBondContact O-N 3.3Å; D532-R578 IonicContact OD1-CZ 3.92Å; D532-R578 IonicContact OD1-NH1 3.76Å; D532-R578 PolarHBondContact OD1-NH1 3.32Å; D532-R578 IonicContact OD1-NH2 3.88Å
533L85.4Confident76.8Confident84 Ų8444.9 Ų44.944%0.4424%0.238SC..Hα-helixtrans-59.2-40.2177.5-173.1138.5000113K529 L537 V680K529-L533 WeakPolarHBondContact O-CB 2.99Å; K529-L533 PolarHBondContact O-N 2.96Å; K529-L533 VanDerWaalsContact O-N 3.12Å; L533-L537 HydrophobicContact CD2-CD1 3.73Å; L533-L537 HydrophobicContact CD2-CG 4.5Å; L533-L537 VanDerWaalsContact O-CG 3.23Å; L533-L537 WeakPolarHBondContact O-CG 3.27Å; L533-L537 PolarHBondContact O-N 3.25Å; L533-V680 HydrophobicContact CD2-CB 4.39Å; L533-V680 HydrophobicContact CD2-CG1 3.81Å; L533-V680 HydrophobicContact CD2-CG2 3.65Å
534L85.6Confident76.4Confident2 Ų247.5 Ų47.51%0.0125%0.247CC..Hα-helixtrans-67-37.9173.8-74.6-179.3000112.6T530 V531 D532 L537 I538 V558 L560 V571 V572 A575 V680T530-L534 WeakPolarHBondContact O-CG 3.44Å; T530-L534 PolarHBondContact O-N 3.08Å; V531-L534 PolarHBondContact O-N 3.02Å; D532-L534 VanDerWaalsContact C-N 3.34Å; D532-L534 PolarHBondContact O-N 2.73Å; L534-L537 PolarHBondContact O-N 3.22Å; L534-I538 WeakPolarHBondContact O-CB 3.31Å; L534-I538 WeakPolarHBondContact O-CD1 3.43Å; L534-I538 WeakPolarHBondContact O-CG1 3.31Å; L534-I538 PolarHBondContact O-N 3.49Å; L534-I538 VanDerWaalsContact O-N 3.09Å; L534-V558 HydrophobicContact CD2-CG1 3.81Å; L534-L560 HydrophobicContact CD1-CD1 4.2Å; L534-L560 HydrophobicContact CD1-CD2 4.13Å; L534-L560 HydrophobicContact CD2-CD1 4.18Å; L534-V571 HydrophobicContact CD1-CG1 3.52Å; L534-V572 HydrophobicContact CD1-CG2 4.41Å; L534-A575 HydrophobicContact CB-CB 4.24Å; L534-V680 HydrophobicContact CD2-CG2 4.07Å
535C83.5Confident75.5Confident7 Ų750.2 Ų50.25%0.04727%0.266CS..Hα-helixtrans-65.2-44.4176.7-65.20000110.6V531 D532 L537 I538 L539V531-C535 PolarHBondContact O-N 3.49Å; V531-C535 PolarHBondContact O-SG 3.46Å; D532-C535 WeakPolarHBondContact O-CA 3.39Å; D532-C535 WeakPolarHBondContact O-CB 3.49Å; D532-C535 PolarHBondContact O-N 3.38Å; C535-L537 VanDerWaalsContact C-N 3.29Å; C535-L537 PolarHBondContact O-N 3.31Å; C535-I538 PolarHBondContact O-N 2.98Å; C535-L539 VanDerWaalsContact O-CB 3.26Å; C535-L539 WeakPolarHBondContact O-CB 3.41Å; C535-L539 VanDerWaalsContact O-CG 3.23Å; C535-L539 WeakPolarHBondContact O-CG 3.48Å; C535-L539 PolarHBondContact O-N 3.2Å
536D81.8Confident74.2Confident107 Ų10754 Ų5457%0.57229%0.292SS*.Hα-helixtrans-63.1-34.8178.7-66.3-21.2000112.2D532 P540D532-D536 VanDerWaalsContact O-CG 3.29Å; D532-D536 PolarHBondContact O-N 3.3Å; D536-P540 WeakPolarHBondContact O-CD 3.49Å
537L82Confident72.7Confident44 Ų4459.2 Ų59.223%0.2332%0.32CS..Hα-helixtrans-71.2-37.4174.5-72.2172.9000112.8L533 L534 C535 H541 H678 V680L533-L537 HydrophobicContact CD2-CD1 3.73Å; L533-L537 HydrophobicContact CD2-CG 4.5Å; L533-L537 VanDerWaalsContact O-CG 3.23Å; L533-L537 WeakPolarHBondContact O-CG 3.27Å; L533-L537 PolarHBondContact O-N 3.25Å; L534-L537 PolarHBondContact O-N 3.22Å; C535-L537 VanDerWaalsContact C-N 3.29Å; C535-L537 PolarHBondContact O-N 3.31Å; L537-H541 PolarHBondContact O-CD2 3.13Å; L537-H678 HydrophobicContact CD1-CB 4.27Å; L537-V680 HydrophobicContact CD1-CG2 3.8Å
538I81.9Confident70.6Confident3 Ų362.8 Ų62.82%0.01534%0.343CS..Hα-helixtrans-84.9-35.2-173.6-65.1167000112L534 C535 H541 L542 L579 I619 V657L534-I538 WeakPolarHBondContact O-CB 3.31Å; L534-I538 WeakPolarHBondContact O-CD1 3.43Å; L534-I538 WeakPolarHBondContact O-CG1 3.31Å; L534-I538 PolarHBondContact O-N 3.49Å; L534-I538 VanDerWaalsContact O-N 3.09Å; C535-I538 PolarHBondContact O-N 2.98Å; I538-H541 PolarHBondContact O-N 3.35Å; I538-L542 HydrophobicContact CG2-CD1 3.86Å; I538-L542 HydrophobicContact CG2-CG 4.09Å; I538-L542 PolarHBondContact O-N 3.14Å; I538-L579 HydrophobicContact CB-CD1 3.85Å; I538-L579 HydrophobicContact CD1-CD1 3.91Å; I538-L579 HydrophobicContact CG2-CD1 3.66Å; I538-I619 HydrophobicContact CD1-CD1 4.43Å; I538-V657 HydrophobicContact CD1-CG1 4.1Å; I538-V657 HydrophobicContact CG1-CG1 4.03Å; I538-V657 HydrophobicContact CG2-CG1 4.46Å; I538-V657 HydrophobicContact CG2-CG2 3.83Å
539L77.1Confident68.7Low36 Ų3664.8 Ų64.819%0.18836%0.361CS..Hα-helixtrans-51-49.3-175.4-91.7169.7000114.6T372 C535 H541 L542 Q543 L579T372-L539 HydrophobicContact CG2-CD1 4.06Å; T372-L539 HydrophobicContact CG2-CD2 3.61Å; T372-L539 HydrophobicContact CG2-CG 4.06Å; C535-L539 VanDerWaalsContact O-CB 3.26Å; C535-L539 WeakPolarHBondContact O-CB 3.41Å; C535-L539 VanDerWaalsContact O-CG 3.23Å; C535-L539 WeakPolarHBondContact O-CG 3.48Å; C535-L539 PolarHBondContact O-N 3.2Å; L539-H541 VanDerWaalsContact C-N 3.29Å; L539-H541 PolarHBondContact O-N 3.35Å; L539-L542 PolarHBondContact O-N 2.89Å; L539-Q543 PolarHBondContact O-N 2.96Å; L539-Q543 VanDerWaalsContact O-N 3.15Å; L539-L579 HydrophobicContact CD2-CD2 3.9Å; L539-L579 HydrophobicContact CG-CD2 3.83Å
540P73.4Confident66.9Low53 Ų5369.1 Ų69.134%0.34437%0.373SS..Hα-helixtrans-59.4-40.2-179.1-23.833.5000112.3D536 L542 Q543 H544D536-P540 WeakPolarHBondContact O-CD 3.49Å; P540-L542 VanDerWaalsContact C-N 3.29Å; P540-L542 PolarHBondContact O-N 3.03Å; P540-Q543 PolarHBondContact O-N 3.42Å; P540-H544 WeakPolarHBondContact O-CB 3.46Å; P540-H544 PolarHBondContact O-CD2 2.66Å; P540-H544 PolarHBondContact O-N 2.82Å
541H69.3Low64.9Low53 Ų5376.5 Ų76.525%0.24541%0.405CS..Hα-helixtrans-68.2-27.9-178.8-68.9-79.4000113.1L537 I538 L539 C556 H678L537-H541 PolarHBondContact O-CD2 3.13Å; I538-H541 PolarHBondContact O-N 3.35Å; L539-H541 VanDerWaalsContact C-N 3.29Å; L539-H541 PolarHBondContact O-N 3.35Å; H541-C556 HydrophobicContact CB-CB 4.13Å; H541-C556 VanDerWaalsContact CD2-SG 3.56Å; H541-H678 AromaticContact NE2-NE2 3.89Å
542L68.1Low63Low33 Ų3381.6 Ų81.617%0.17344%0.441CS..Hα-helixtrans-77.1-42.2175.3-62.8173.2000111.8I538 L539 P540 S545 L579 L581I538-L542 HydrophobicContact CG2-CD1 3.86Å; I538-L542 HydrophobicContact CG2-CG 4.09Å; I538-L542 PolarHBondContact O-N 3.14Å; L539-L542 PolarHBondContact O-N 2.89Å; P540-L542 VanDerWaalsContact C-N 3.29Å; P540-L542 PolarHBondContact O-N 3.03Å; L542-S545 PolarHBondContact O-OG 3.08Å; L542-L579 HydrophobicContact CD1-CD2 4.21Å; L542-L581 HydrophobicContact CD1-CD1 3.81Å; L542-L581 HydrophobicContact CD1-CD2 4.37Å; L542-L581 HydrophobicContact CD1-CG 4.32Å; L542-L581 HydrophobicContact CD2-CD1 4.04Å; L542-L581 HydrophobicContact CD2-CD2 4.18Å
543Q60.6Low61.5Low99 Ų9983.2 Ų83.246%0.46345%0.449SS..Hα-helixtrans-73.3-38-176.6-68.9177-20.900113L539 P540 S545 C546L539-Q543 PolarHBondContact O-N 2.96Å; L539-Q543 VanDerWaalsContact O-N 3.15Å; P540-Q543 PolarHBondContact O-N 3.42Å; Q543-S545 PolarHBondContact O-N 3.07Å; Q543-C546 PolarHBondContact O-N 3.21Å
544H49.6Very low60.3Low107 Ų10783.2 Ų83.250%0.49546%0.456SS..G310 helixtrans-69.5-15.9178.4-73.6-61.4000113.9P540 C546 L553P540-H544 WeakPolarHBondContact O-CB 3.46Å; P540-H544 PolarHBondContact O-CD2 2.66Å; P540-H544 PolarHBondContact O-N 2.82Å; H544-C546 PolarHBondContact O-N 2.81Å; H544-L553 HydrophobicContact CB-CD1 4.33Å
545S49.1Very low59.4Low58 Ų5883.4 Ų83.441%0.40646%0.458SS..G310 helixtrans-69.1-12.317773.60000114.3L542 Q543L542-S545 PolarHBondContact O-OG 3.08Å; Q543-S545 PolarHBondContact O-N 3.07Å
546C42.7Very low59.1Low114 Ų11483.2 Ų83.277%0.7746%0.456SS*.G310 helixtrans-98.3-17.6-179.4-68.60000115Q543 H544Q543-C546 PolarHBondContact O-N 3.21Å; H544-C546 PolarHBondContact O-N 2.81Å
547V41.5Very low59.3Low121 Ų12178.3 Ų78.373%0.73343%0.43SS*.THydrogen-bonded Turntrans-119.5-23.4-164.8-177.30000114.5
548V36.3Very low59.6Low90 Ų9076.2 Ų76.255%0.54542%0.419SS..SBendtrans-124.7140-179-175.90000110.8R550V548-R550 PolarHBondContact O-N 2.96Å
549S39.7Very low59.9Low98 Ų9876.1 Ų76.169%0.68542%0.419SS*.  trans-37.4129-179.4-18.20000113.2E551S549-E551 PolarHBondContact O-N 3.48Å
550R44.9Very low60.5Low247 Ų24774.4 Ų74.493%0.93241%0.41SS*.THydrogen-bonded Turntrans-59.712-168.7-74178.4168.2177.4-4.1118V548V548-R550 PolarHBondContact O-N 2.96Å
551E41.5Very low61.1Low186 Ų18673.8 Ų73.887%0.86940%0.403SS*.THydrogen-bonded Turntrans-113.10.6-158.2-67.7-176.7174.600116.7S549S549-E551 PolarHBondContact O-N 3.48Å
552S45.5Very low61.8Low106 Ų10671.7 Ų71.774%0.74140%0.395SS*.SBendtrans-141.84.8-173.352.70000118.3
553L52.7Low62.3Low99 Ų9972.6 Ų72.652%0.51840%0.403SS..PPolyproline II helixtrans-100.7119.7178.3-70.2164.9000111.1H544H544-L553 HydrophobicContact CB-CD1 4.33Å
554S60.1Low63.2Low85 Ų8571.2 Ų71.259%0.59441%0.408SS*.PPolyproline II helixtrans-65.6148.9173.957.70000111.6
555A66.9Low64.5Low6 Ų668.2 Ų68.25%0.0541%0.406CS..PPolyproline II helixtrans-56.2142.3174.100000112.1T557 A652A555-T557 PolarHBondContact O-N 3.49Å; A555-A652 HydrophobicContact CB-CB 3.7Å
556C77.4Confident65.9Low2 Ų265.7 Ų65.71%0.01439%0.389CS..  trans-72.1110.6174.7-173.80000109.2H541 V657 V658H541-C556 HydrophobicContact CB-CB 4.13Å; H541-C556 VanDerWaalsContact CD2-SG 3.56Å; C556-V657 HydrophobicContact CB-CG1 4.32Å; C556-V657 HydrophobicContact CB-CG2 4.43Å; C556-V658 PolarHBondContact O-N 3.3Å
557T84.6Confident67.8Low4 Ų460.8 Ų60.83%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-110.5120.1178.758.70000110.3A555 L649 V658 A675 F676 V677 H678A555-T557 PolarHBondContact O-N 3.49Å; T557-L649 HydrophobicContact CG2-CB 4.49Å; T557-L649 HydrophobicContact CG2-CD2 3.91Å; T557-V658 WeakPolarHBondContact CA-O 3.44Å; T557-V658 HydrophobicContact CG2-CB 4.32Å; T557-A675 PolarHBondContact OG1-O 3.35Å; T557-A675 VanDerWaalsContact OG1-O 3.12Å; T557-F676 WeakPolarHBondContact OG1-CA 3.25Å; T557-V677 PolarHBondContact O-N 2.89Å; T557-V677 PolarHBondContact OG1-N 3.42Å; T557-H678 PolarHBondContact O-N 3.33Å; T557-H678 VanDerWaalsContact O-N 3.07Å
558V88.4Confident69.9Low0 Ų055.8 Ų55.80%033%0.326CS..EExtended strand (participates in β ladder)trans-120.4128.4-177.1-173.50000110.7L534 L560 V658 V659 A660 H678 V680L534-V558 HydrophobicContact CD2-CG1 3.81Å; V558-L560 HydrophobicContact CG1-CD1 4.28Å; V558-V658 PolarHBondContact N-O 3.35Å; V558-V659 HydrophobicContact CB-CG2 4.39Å; V558-V659 CarbonylContact O-C 3.59Å; V558-V659 WeakPolarHBondContact O-CA 3.44Å; V558-A660 PolarHBondContact O-N 3.46Å; V558-H678 CarbonylContact C-O 3.54Å; V558-H678 WeakPolarHBondContact CA-O 3.42Å; V558-H678 HydrophobicContact CG1-CB 4.43Å; V558-H678 HydrophobicContact CG2-CB 4.23Å; V558-V680 HydrophobicContact CG1-CG2 3.99Å
559L88.6Confident72.1Confident1 Ų154 Ų541%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-106113.7174.6-176.766.5000110.8A660 V662 L668 F676 H678 Q679 V680L559-A660 HydrophobicContact CD1-CB 3.89Å; L559-V662 HydrophobicContact CD1-CG2 3.73Å; L559-L668 HydrophobicContact CD1-CD1 4.02Å; L559-L668 HydrophobicContact CD2-CD1 3.78Å; L559-F676 HydrophobicContact CB-CB 3.78Å; L559-F676 HydrophobicContact CB-CD1 4.07Å; L559-F676 HydrophobicContact CB-CD2 4.2Å; L559-F676 HydrophobicContact CB-CG 3.76Å; L559-F676 HydrophobicContact CD1-CD2 4.2Å; L559-F676 HydrophobicContact CD1-CE2 4.26Å; L559-F676 HydrophobicContact CD2-CD2 4.37Å; L559-H678 PolarHBondContact N-O 2.87Å; L559-Q679 HydrophobicContact CB-CG 4.49Å; L559-V680 PolarHBondContact O-N 3.27Å
560L88.8Confident74.2Confident0 Ų050.5 Ų50.50%029%0.287CS..EExtended strand (participates in β ladder)trans-96.5107.7173-79.2117.7000111.9L534 V558 K568 V572 V659 A660 T661 V662 V680 M682L534-L560 HydrophobicContact CD1-CD1 4.2Å; L534-L560 HydrophobicContact CD1-CD2 4.13Å; L534-L560 HydrophobicContact CD2-CD1 4.18Å; V558-L560 HydrophobicContact CG1-CD1 4.28Å; L560-K568 PolarHBondContact O-NZ 2.89Å; L560-V572 HydrophobicContact CD1-CG2 3.85Å; L560-V659 HydrophobicContact CD1-CG1 3.21Å; L560-A660 PolarHBondContact N-O 3.48Å; L560-T661 HydrophobicContact CB-CG2 4.29Å; L560-T661 WeakPolarHBondContact O-CA 3.47Å; L560-V662 PolarHBondContact O-N 3.34Å; L560-V680 WeakPolarHBondContact CA-O 3.49Å; L560-V680 HydrophobicContact CD2-CB 4.42Å; L560-V680 HydrophobicContact CD2-CG1 4.25Å; L560-V680 HydrophobicContact CG-CB 4.28Å; L560-M682 HydrophobicContact CD2-CG 4.2Å; L560-M682 HydrophobicContact CD2-SD 4.09Å
561H87.3Confident76.1Confident41 Ų4138.7 Ų38.719%0.1924%0.243CC..EExtended strand (participates in β ladder)trans-108.816017568.288.5000112.1K568 V662 A665 V680 A681 M682H561-K568 PolarHBondContact O-NZ 3.25Å; H561-V662 WeakPolarHBondContact CA-O 3.47Å; H561-A665 HydrophobicContact CB-CB 4.34Å; H561-V680 PolarHBondContact N-O 2.92Å; H561-V680 VanDerWaalsContact N-O 3.08Å; H561-A681 WeakPolarHBondContact CE1-CB 3.48Å; H561-M682 PolarHBondContact O-N 3.17Å
562G83.1Confident78.2Confident9 Ų930 Ų309%0.09320%0.202CC..SBendtrans139.7166.1-171.300000112.9K568 V662 C663 M682G562-K568 VanDerWaalsContact C-NZ 3.29Å; G562-K568 VanDerWaalsContact CA-NZ 3.29Å; G562-K568 WeakPolarHBondContact O-CE 3.21Å; G562-K568 PolarHBondContact O-NZ 2.88Å; G562-V662 PolarHBondContact N-O 2.8Å; G562-C663 CarbonylContact C-O 3.56Å; G562-C663 VanDerWaalsContact C-O 3.24Å; G562-C663 CarbonylContact O-C 3.45Å; G562-C663 VanDerWaalsContact O-CA 3.29Å; G562-C663 WeakPolarHBondContact O-CA 3.21Å; G562-M682 WeakPolarHBondContact CA-O 3.36Å
563P79.2Confident80Confident51 Ų5127.8 Ų27.833%0.33118%0.178SC..  trans-59.3153.2-169.624.3-32.6000112.8S566 M682 V720P563-S566 WeakPolarHBondContact O-CB 3.26Å; P563-S566 PolarHBondContact O-N 3.33Å; P563-S566 PolarHBondContact O-OG 3.14Å; P563-M682 WeakPolarHBondContact CD-O 3.01Å; P563-V720 HydrophobicContact CB-CG2 4.39Å; P563-V720 HydrophobicContact CG-CG2 4.13Å
564A78.9Confident81.3Confident70 Ų7023.1 Ų23.158%0.57915%0.153SC*.THydrogen-bonded Turntrans-59.6140.5175.100000109.8S566A564-S566 VanDerWaalsContact C-N 3.34Å; A564-S566 PolarHBondContact O-N 3.5Å
565G76.9Confident82.3Confident44 Ų4419.1 Ų19.145%0.45413%0.125SC..THydrogen-bonded Turntrans82.30.5-179.500000115.9G567 V720 G722G565-G567 PolarHBondContact O-N 3.26Å; G565-V720 WeakPolarHBondContact O-CG1 3.23Å; G565-G722 PolarHBondContact O-N 3.16Å
566S80Confident83Confident6 Ų619 Ų194%0.04212%0.124CC..SBendtrans-63.3-0.3177.247.90000116.4P563 A564 K568 M682P563-S566 WeakPolarHBondContact O-CB 3.26Å; P563-S566 PolarHBondContact O-N 3.33Å; P563-S566 PolarHBondContact O-OG 3.14Å; A564-S566 VanDerWaalsContact C-N 3.34Å; A564-S566 PolarHBondContact O-N 3.5Å; S566-K568 WeakPolarHBondContact OG-CE 3.31Å; S566-K568 WeakPolarHBondContact OG-CG 3.28Å; S566-M682 VanDerWaalsContact O-CE 3.24Å; S566-M682 WeakPolarHBondContact O-CE 3.48Å
567G81.1Confident83Confident11 Ų1120.3 Ų20.311%0.11313%0.129CC..  trans77.920.2-179.800000113.6G565 I569 T570 V571G565-G567 PolarHBondContact O-N 3.26Å; G567-I569 PolarHBondContact O-N 2.95Å; G567-I569 VanDerWaalsContact O-N 3.11Å; G567-T570 CarbonylContact O-C 3.6Å; G567-T570 VanDerWaalsContact O-CA 3.32Å; G567-T570 WeakPolarHBondContact O-CA 3.26Å; G567-T570 WeakPolarHBondContact O-CB 3.42Å; G567-T570 PolarHBondContact O-N 3.01Å; G567-V571 PolarHBondContact O-N 3.07Å
568K85Confident82.6Confident15 Ų1520.7 Ų20.77%0.06513%0.13CC..Hα-helixtrans-46.5-44.1176.7-55.1166.5-171.1-84.90112.9L560 H561 G562 S566 T570 V571 V572 T661 V662 M682L560-K568 PolarHBondContact O-NZ 2.89Å; H561-K568 PolarHBondContact O-NZ 3.25Å; G562-K568 VanDerWaalsContact C-NZ 3.29Å; G562-K568 VanDerWaalsContact CA-NZ 3.29Å; G562-K568 WeakPolarHBondContact O-CE 3.21Å; G562-K568 PolarHBondContact O-NZ 2.88Å; S566-K568 WeakPolarHBondContact OG-CE 3.31Å; S566-K568 WeakPolarHBondContact OG-CG 3.28Å; K568-T570 VanDerWaalsContact C-N 3.3Å; K568-T570 PolarHBondContact O-N 3.32Å; K568-V571 PolarHBondContact O-N 2.96Å; K568-V572 WeakPolarHBondContact O-CG2 3.4Å; K568-V572 PolarHBondContact O-N 2.83Å; K568-T661 HydrophobicContact CB-CG2 3.82Å; K568-T661 HydrophobicContact CD-CG2 4.13Å; K568-V662 WeakPolarHBondContact CE-O 3.39Å; K568-V662 PolarHBondContact NZ-O 3.26Å; K568-M682 HydrophobicContact CB-SD 4.21Å; K568-M682 HydrophobicContact CG-SD 3.71Å
569I83.4Confident82Confident54 Ų5421 Ų2128%0.27713%0.131SC..Hα-helixtrans-64.5-38.9178.8-62.8162.7000110.9G567 R573 L621G567-I569 PolarHBondContact O-N 2.95Å; G567-I569 VanDerWaalsContact O-N 3.11Å; I569-R573 WeakPolarHBondContact O-CB 3.5Å; I569-R573 PolarHBondContact O-N 3.45Å; I569-L621 HydrophobicContact CG2-CD2 4.4Å
570T83.1Confident81.4Confident23 Ų2321 Ų2114%0.14113%0.131CC..Hα-helixtrans-65.6-43.5178-48.60000110.6W519 P524 G567 K568 R573 A574W519-T570 HydrophobicContact CB-CG2 3.84Å; W519-T570 HydrophobicContact CE3-CG2 4.03Å; W519-T570 WeakPolarHBondContact O-CG2 3.43Å; P524-T570 HydrophobicContact CB-CG2 4.13Å; G567-T570 CarbonylContact O-C 3.6Å; G567-T570 VanDerWaalsContact O-CA 3.32Å; G567-T570 WeakPolarHBondContact O-CA 3.26Å; G567-T570 WeakPolarHBondContact O-CB 3.42Å; G567-T570 PolarHBondContact O-N 3.01Å; K568-T570 VanDerWaalsContact C-N 3.3Å; K568-T570 PolarHBondContact O-N 3.32Å; T570-R573 PolarHBondContact O-N 3.47Å; T570-A574 WeakPolarHBondContact O-CB 3.24Å; T570-A574 PolarHBondContact O-N 2.93Å
571V85.9Confident80.9Confident0 Ų021.7 Ų21.70%014%0.135CC..Hα-helixtrans-61.4-50.5176.2-1770000111.1L527 V531 L534 G567 K568 R573 A574 A575 M682L527-V571 HydrophobicContact CB-CG2 4.16Å; L527-V571 HydrophobicContact CD1-CG2 3.8Å; L527-V571 HydrophobicContact CG-CG2 4.42Å; V531-V571 HydrophobicContact CB-CG1 4.46Å; V531-V571 HydrophobicContact CG2-CB 4.31Å; V531-V571 HydrophobicContact CG2-CG1 3.67Å; L534-V571 HydrophobicContact CD1-CG1 3.52Å; G567-V571 PolarHBondContact O-N 3.07Å; K568-V571 PolarHBondContact O-N 2.96Å; V571-R573 VanDerWaalsContact C-N 3.28Å; V571-R573 PolarHBondContact O-N 2.92Å; V571-A574 PolarHBondContact O-N 3.29Å; V571-A575 WeakPolarHBondContact O-CB 3.28Å; V571-A575 PolarHBondContact O-N 3.49Å; V571-M682 HydrophobicContact CG2-CE 3.66Å; V571-M682 HydrophobicContact CG2-SD 4.16Å
572V85.5Confident80.4Confident2 Ų220.5 Ų20.51%0.01213%0.13CC..Hα-helixtrans-63.2-37178.5178.30000111.4L534 L560 K568 A575 S576 L583 I619 L621 V659L534-V572 HydrophobicContact CD1-CG2 4.41Å; L560-V572 HydrophobicContact CD1-CG2 3.85Å; K568-V572 WeakPolarHBondContact O-CG2 3.4Å; K568-V572 PolarHBondContact O-N 2.83Å; V572-A575 PolarHBondContact O-N 2.96Å; V572-S576 WeakPolarHBondContact O-CB 3.32Å; V572-S576 PolarHBondContact O-N 3.04Å; V572-L583 HydrophobicContact CG1-CD1 4.16Å; V572-I619 HydrophobicContact CG1-CG2 4.15Å; V572-L621 HydrophobicContact CB-CD1 4.42Å; V572-L621 HydrophobicContact CG1-CD1 4.17Å; V572-L621 HydrophobicContact CG1-CD2 4.33Å; V572-L621 HydrophobicContact CG2-CD1 4.2Å; V572-V659 HydrophobicContact CG1-CB 4.5Å; V572-V659 HydrophobicContact CG1-CG1 4.41Å; V572-V659 HydrophobicContact CG2-CG1 3.69Å
573R82.3Confident80Confident60 Ų6021.6 Ų21.623%0.22613%0.133CC..Hα-helixtrans-65.4-42.5175.9-174.2-179.7-57.9176.82.1112I569 T570 V571 R577 L583I569-R573 WeakPolarHBondContact O-CB 3.5Å; I569-R573 PolarHBondContact O-N 3.45Å; T570-R573 PolarHBondContact O-N 3.47Å; V571-R573 VanDerWaalsContact C-N 3.28Å; V571-R573 PolarHBondContact O-N 2.92Å; R573-R577 WeakPolarHBondContact O-CG 3.42Å; R573-R577 PolarHBondContact O-N 3.34Å; R573-R577 VanDerWaalsContact O-N 3.15Å; R573-L583 HydrophobicContact CB-CD2 4.12Å; R573-L583 HydrophobicContact CG-CD2 4.13Å
574A79.8Confident79.8Confident1 Ų119.8 Ų19.81%0.00812%0.12CC..Hα-helixtrans-65.8-43.9176.300000111.3P524 V531 T570 V571 R577 R578P524-A574 HydrophobicContact CG-CB 3.92Å; V531-A574 HydrophobicContact CG1-CB 4.2Å; V531-A574 HydrophobicContact CG2-CB 3.97Å; T570-A574 WeakPolarHBondContact O-CB 3.24Å; T570-A574 PolarHBondContact O-N 2.93Å; V571-A574 PolarHBondContact O-N 3.29Å; A574-R577 PolarHBondContact O-N 3.08Å; A574-R578 PolarHBondContact O-N 3.31Å
575A82.1Confident79.4Confident1 Ų118.9 Ų18.91%0.00810%0.104CC..Hα-helixtrans-60.7-45.9176.100000111.9V531 L534 V571 V572 R577 R578 L579V531-A575 HydrophobicContact CG1-CB 4.39Å; L534-A575 HydrophobicContact CB-CB 4.24Å; V571-A575 WeakPolarHBondContact O-CB 3.28Å; V571-A575 PolarHBondContact O-N 3.49Å; V572-A575 PolarHBondContact O-N 2.96Å; A575-R577 VanDerWaalsContact C-N 3.28Å; A575-R577 PolarHBondContact O-N 2.84Å; A575-R578 PolarHBondContact O-N 2.92Å; A575-L579 WeakPolarHBondContact O-CB 3.44Å; A575-L579 VanDerWaalsContact O-CG 3.32Å; A575-L579 WeakPolarHBondContact O-CG 3.3Å; A575-L579 PolarHBondContact O-N 3.04Å
576S81.6Confident78.9Confident3 Ų321 Ų212%0.02110%0.1CC..Hα-helixtrans-57.8-40175.5-164.70000112.7V572 N580 L581V572-S576 WeakPolarHBondContact O-CB 3.32Å; V572-S576 PolarHBondContact O-N 3.04Å; S576-N580 PolarHBondContact O-N 3.01Å; S576-L581 PolarHBondContact O-N 2.86Å; S576-L581 VanDerWaalsContact O-N 3.09Å; S576-L581 PolarHBondContact OG-O 3.18Å
577R77.8Confident77.6Confident30 Ų3022.7 Ų22.711%0.11311%0.108CC..Hα-helixtrans-68.3-42.4177.7-73.7177.6-179.4-156.9-1.4111.4L373 C510 S520 L522 R573 A574 A575 L579 N580L373-R577 WeakPolarHBondContact CD1-O 3.42Å; C510-R577 HydrophobicContact CB-CB 4.15Å; C510-R577 HydrophobicContact CB-CG 4.29Å; S520-R577 VanDerWaalsContact C-NH1 3.31Å; S520-R577 WeakPolarHBondContact O-CD 3.38Å; S520-R577 PolarHBondContact O-NH1 3.44Å; S520-R577 PolarHBondContact OG-NH1 3.12Å; L522-R577 HydrophobicContact CD2-CB 4.02Å; R573-R577 WeakPolarHBondContact O-CG 3.42Å; R573-R577 PolarHBondContact O-N 3.34Å; R573-R577 VanDerWaalsContact O-N 3.15Å; A574-R577 PolarHBondContact O-N 3.08Å; A575-R577 VanDerWaalsContact C-N 3.28Å; A575-R577 PolarHBondContact O-N 2.84Å; R577-L579 VanDerWaalsContact C-N 3.3Å; R577-L579 PolarHBondContact O-N 3.26Å; R577-N580 PolarHBondContact O-N 2.85Å
578R75.8Confident76.3Confident12 Ų1223 Ų235%0.04511%0.107CC..Hα-helixtrans-64.6-34176.9-72.8-169.7-174.6-178.55.3113.5T372 L373 V375 L522 T523 D532 A574 A575T372-R578 VanDerWaalsContact CA-O 3.29Å; T372-R578 WeakPolarHBondContact CA-O 3.29Å; L373-R578 PolarHBondContact N-O 3.21Å; V375-R578 VanDerWaalsContact CG2-CZ 3.4Å; L522-R578 HydrophobicContact CD2-CG 4.04Å; L522-R578 PolarHBondContact O-NE 3.31Å; L522-R578 PolarHBondContact O-NH2 3.42Å; T523-R578 VanDerWaalsContact CG2-NH2 3.28Å; D532-R578 IonicContact OD1-CZ 3.92Å; D532-R578 IonicContact OD1-NH1 3.76Å; D532-R578 PolarHBondContact OD1-NH1 3.32Å; D532-R578 IonicContact OD1-NH2 3.88Å; A574-R578 PolarHBondContact O-N 3.31Å; A575-R578 PolarHBondContact O-N 2.92Å
579L76.1Confident74.4Confident6 Ų626.4 Ų26.43%0.03113%0.126CC..THydrogen-bonded Turntrans-87.6-0.9-179.6-64.4165000113.4T372 I538 L539 L542 A575 R577 L581T372-L579 HydrophobicContact CG2-CD2 3.5Å; T372-L579 HydrophobicContact CG2-CG 4.39Å; I538-L579 HydrophobicContact CB-CD1 3.85Å; I538-L579 HydrophobicContact CD1-CD1 3.91Å; I538-L579 HydrophobicContact CG2-CD1 3.66Å; L539-L579 HydrophobicContact CD2-CD2 3.9Å; L539-L579 HydrophobicContact CG-CD2 3.83Å; L542-L579 HydrophobicContact CD1-CD2 4.21Å; A575-L579 WeakPolarHBondContact O-CB 3.44Å; A575-L579 VanDerWaalsContact O-CG 3.32Å; A575-L579 WeakPolarHBondContact O-CG 3.3Å; A575-L579 PolarHBondContact O-N 3.04Å; R577-L579 VanDerWaalsContact C-N 3.3Å; R577-L579 PolarHBondContact O-N 3.26Å; L579-L581 HydrophobicContact CB-CD1 4.12Å; L579-L581 HydrophobicContact CB-CG 3.96Å; L579-L581 HydrophobicContact CD1-CD1 4.45Å; L579-L581 PolarHBondContact O-N 3.41Å
580N76.1Confident72.4Confident2 Ų230.5 Ų30.51%0.01114%0.141CC..THydrogen-bonded Turntrans54.534.9-176.7-60.6-54.7000113.8F365 E371 P507 V508 C510 S576 R577F365-N580 HydrophobicContact CD2-CB 3.82Å; F365-N580 HydrophobicContact CE2-CB 3.79Å; E371-N580 PolarHBondContact O-ND2 3.34Å; E371-N580 VanDerWaalsContact O-ND2 3.13Å; P507-N580 VanDerWaalsContact CB-O 3.3Å; P507-N580 WeakPolarHBondContact CB-O 3.14Å; V508-N580 PolarHBondContact N-O 3.31Å; V508-N580 CarbonylContact O-C 3.55Å; V508-N580 WeakPolarHBondContact O-CA 3.45Å; V508-N580 WeakPolarHBondContact O-CB 3.45Å; C510-N580 PolarHBondContact N-OD1 3.2Å; S576-N580 PolarHBondContact O-N 3.01Å; R577-N580 PolarHBondContact O-N 2.85Å
581L77.9Confident70.5Confident15 Ų1536.3 Ų36.38%0.07917%0.171CC..  trans-102147.3-179.3-66.8-177.6000112.3L542 S576 L579 P617 I619L542-L581 HydrophobicContact CD1-CD1 3.81Å; L542-L581 HydrophobicContact CD1-CD2 4.37Å; L542-L581 HydrophobicContact CD1-CG 4.32Å; L542-L581 HydrophobicContact CD2-CD1 4.04Å; L542-L581 HydrophobicContact CD2-CD2 4.18Å; S576-L581 PolarHBondContact O-N 2.86Å; S576-L581 VanDerWaalsContact O-N 3.09Å; S576-L581 PolarHBondContact OG-O 3.18Å; L579-L581 HydrophobicContact CB-CD1 4.12Å; L579-L581 HydrophobicContact CB-CG 3.96Å; L579-L581 HydrophobicContact CD1-CD1 4.45Å; L579-L581 PolarHBondContact O-N 3.41Å; L581-P617 HydrophobicContact CD2-CB 3.79Å; L581-P617 HydrophobicContact CD2-CG 3.87Å; L581-I619 HydrophobicContact CB-CD1 4.31Å; L581-I619 HydrophobicContact CB-CG1 4Å; L581-I619 HydrophobicContact CD1-CD1 3.92Å; L581-I619 HydrophobicContact CD1-CG1 3.61Å; L581-I619 HydrophobicContact CG-CG1 4.5Å
582H76.4Confident68.7Low16 Ų1639.8 Ų39.87%0.07419%0.192CC..EExtended strand (participates in β ladder)trans-65.7131.7171.8-68.4-71.2000110.9S506 V508 C618 I619S506-H582 PolarHBondContact O-NE2 2.84Å; V508-H582 WeakPolarHBondContact CG2-CE1 3.47Å; H582-C618 HydrophobicContact CB-CB 3.9Å; H582-C618 CarbonylContact O-C 3.52Å; H582-C618 WeakPolarHBondContact O-CA 3.38Å; H582-C618 WeakPolarHBondContact O-CB 3.48Å; H582-I619 PolarHBondContact O-N 3.33Å
583L76.2Confident67.1Low31 Ų3141.2 Ų41.216%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-103.1103.3178-175.358.6000111V572 R573 K585 I619 L621V572-L583 HydrophobicContact CG1-CD1 4.16Å; R573-L583 HydrophobicContact CB-CD2 4.12Å; R573-L583 HydrophobicContact CG-CD2 4.13Å; L583-K585 HydrophobicContact CD2-CD 4.31Å; L583-K585 HydrophobicContact CD2-CG 4.12Å; L583-K585 HydrophobicContact CG-CG 3.89Å; L583-K585 PolarHBondContact O-N 2.98Å; L583-I619 HydrophobicContact CD1-CB 4.15Å; L583-I619 HydrophobicContact CD1-CG2 4.14Å; L583-L621 HydrophobicContact CD1-CB 4.22Å
584L74.6Confident65.5Low13 Ų1342.6 Ų42.67%0.06821%0.211CC..EExtended strand (participates in β ladder)trans-87.3103.4171.4-168.572.2000109.1P419 R611 A612 L615 I619 L620 L621P419-L584 HydrophobicContact CB-CD1 3.91Å; L584-R611 HydrophobicContact CD2-CG 4.39Å; L584-A612 HydrophobicContact CD2-CB 4Å; L584-L615 HydrophobicContact CD1-CD1 4.12Å; L584-I619 PolarHBondContact N-O 3.45Å; L584-L620 HydrophobicContact CD2-CD1 3.98Å; L584-L620 HydrophobicContact CG-CD1 4.45Å; L584-L621 PolarHBondContact O-N 3.46Å
585K70.6Confident64.1Low51 Ų5149.2 Ų49.222%0.22225%0.246CC..EExtended strand (participates in β ladder)trans-89.2122.8175.9-59.9170.8-172.9161.70108.6L583L583-K585 HydrophobicContact CD2-CD 4.31Å; L583-K585 HydrophobicContact CD2-CG 4.12Å; L583-K585 HydrophobicContact CG-CG 3.89Å; L583-K585 PolarHBondContact O-N 2.98Å
586K65.6Low63.1Low88 Ų8851.5 Ų51.538%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-115.4120.5163.4-167.268.5173.1-179.60109.5F588 V608 L621K586-F588 HydrophobicContact CG-CE1 4.46Å; K586-F588 HydrophobicContact CG-CE2 4.41Å; K586-F588 HydrophobicContact CG-CZ 4.23Å; K586-V608 HydrophobicContact CB-CG1 4.33Å; K586-V608 HydrophobicContact CD-CG2 3.85Å; K586-V608 HydrophobicContact CG-CG2 3.92Å; K586-L621 PolarHBondContact N-O 2.87Å
587I53.8Low62.7Low42 Ų4255.6 Ų55.622%0.21528%0.283CS..  trans-93.4118.4173.5-48.2-178.6000108.2E463 N589 R623E463-I587 HydrophobicContact CG-CD1 4.45Å; E463-I587 WeakPolarHBondContact OE1-CD1 3.48Å; E463-I587 WeakPolarHBondContact OE1-CG1 3.43Å; I587-N589 WeakPolarHBondContact CG2-OD1 3.23Å; I587-N589 PolarHBondContact O-N 3.24Å; I587-R623 VanDerWaalsContact CD1-NH1 3.3Å
588F52.8Low62.4Low18 Ų1857 Ų578%0.07930%0.296CS..  trans-88.988.8165.9-74.4-59.4000106.9K586 I593 L605 L622 L628K586-F588 HydrophobicContact CG-CE1 4.46Å; K586-F588 HydrophobicContact CG-CE2 4.41Å; K586-F588 HydrophobicContact CG-CZ 4.23Å; F588-I593 HydrophobicContact CB-CD1 3.39Å; F588-I593 HydrophobicContact CD1-CD1 3.71Å; F588-I593 HydrophobicContact CD1-CG1 4.4Å; F588-I593 HydrophobicContact CG-CD1 3.9Å; F588-L605 HydrophobicContact CZ-CD2 3.96Å; F588-L605 HydrophobicContact CZ-CG 4.28Å; F588-L622 HydrophobicContact CE2-CD2 4.03Å; F588-L628 HydrophobicContact CD1-CD1 3.81Å; F588-L628 HydrophobicContact CD2-CD1 4Å; F588-L628 HydrophobicContact CE1-CD1 3.6Å; F588-L628 HydrophobicContact CE2-CD1 3.82Å; F588-L628 HydrophobicContact CG-CD1 3.99Å; F588-L628 HydrophobicContact CZ-CD1 3.61Å
589N45.5Very low62.4Low87 Ų8758.8 Ų58.847%0.46531%0.313SS..  trans-74.3142.1178.1-83.9-21.3000109.8I587 L591 T592 I593I587-N589 WeakPolarHBondContact CG2-OD1 3.23Å; I587-N589 PolarHBondContact O-N 3.24Å; N589-L591 PolarHBondContact O-N 3.41Å; N589-T592 HydrophobicContact CB-CG2 4.38Å; N589-T592 WeakPolarHBondContact CB-OG1 3.38Å; N589-T592 PolarHBondContact N-OG1 2.92Å; N589-T592 PolarHBondContact O-N 2.8Å; N589-T592 VanDerWaalsContact O-N 3.09Å; N589-T592 PolarHBondContact O-OG1 2.78Å; N589-I593 PolarHBondContact O-N 3.44Å
590K41.8Very low62.4Low139 Ų13959.9 Ų59.960%0.60432%0.323SS*.Hα-helixtrans-51.5-45174.7-146-164.4175.9177.70110.5T592 I593 I594 L627K590-T592 PolarHBondContact O-N 3.46Å; K590-I593 PolarHBondContact O-N 2.92Å; K590-I594 HydrophobicContact CB-CD1 4.23Å; K590-I594 HydrophobicContact CD-CD1 3.9Å; K590-I594 HydrophobicContact CG-CD1 3.57Å; K590-I594 HydrophobicContact CG-CG1 4.27Å; K590-I594 VanDerWaalsContact O-CB 3.29Å; K590-I594 WeakPolarHBondContact O-CB 3.43Å; K590-I594 VanDerWaalsContact O-CD1 3.25Å; K590-I594 WeakPolarHBondContact O-CD1 3.26Å; K590-I594 WeakPolarHBondContact O-CG1 3.21Å; K590-I594 PolarHBondContact O-N 3.48Å; K590-L627 HydrophobicContact CG-CD2 4.36Å
591L42.7Very low62.4Low146 Ų14660.4 Ų60.476%0.76433%0.328SS*.Hα-helixtrans-67.4-29.9-179.6-74.9160.1000114.8N589N589-L591 PolarHBondContact O-N 3.41Å
592T48.2Very low62.4Low73 Ų7360.9 Ų60.945%0.44833%0.33SS..Hα-helixtrans-81.3-31.6179.146.20000112.3N589 K590N589-T592 HydrophobicContact CB-CG2 4.38Å; N589-T592 WeakPolarHBondContact CB-OG1 3.38Å; N589-T592 PolarHBondContact N-OG1 2.92Å; N589-T592 PolarHBondContact O-N 2.8Å; N589-T592 VanDerWaalsContact O-N 3.09Å; N589-T592 PolarHBondContact O-OG1 2.78Å; K590-T592 PolarHBondContact O-N 3.46Å
593I50.7Low62.7Low32 Ų3265 Ų6516%0.16436%0.356CS..Hα-helixtrans-90.2-32.6-177.5-65.6163.1000112.3F588 N589 K590 N595 D596F588-I593 HydrophobicContact CB-CD1 3.39Å; F588-I593 HydrophobicContact CD1-CD1 3.71Å; F588-I593 HydrophobicContact CD1-CG1 4.4Å; F588-I593 HydrophobicContact CG-CD1 3.9Å; N589-I593 PolarHBondContact O-N 3.44Å; K590-I593 PolarHBondContact O-N 2.92Å; I593-N595 PolarHBondContact O-N 3.28Å; I593-D596 PolarHBondContact O-N 2.87Å
594I49.5Very low62.8Low89 Ų8967.7 Ų67.746%0.45637%0.366SS..THydrogen-bonded Turntrans-56.5-26.6178.2-74.5165.8000111.7K590K590-I594 HydrophobicContact CB-CD1 4.23Å; K590-I594 HydrophobicContact CD-CD1 3.9Å; K590-I594 HydrophobicContact CG-CD1 3.57Å; K590-I594 HydrophobicContact CG-CG1 4.27Å; K590-I594 VanDerWaalsContact O-CB 3.29Å; K590-I594 WeakPolarHBondContact O-CB 3.43Å; K590-I594 VanDerWaalsContact O-CD1 3.25Å; K590-I594 WeakPolarHBondContact O-CD1 3.26Å; K590-I594 WeakPolarHBondContact O-CG1 3.21Å; K590-I594 PolarHBondContact O-N 3.48Å
595N50.8Low63.1Low139 Ų13967.1 Ų67.174%0.74336%0.363SS*.THydrogen-bonded Turntrans-99.8-4.3179.3-65.8-8.6000114I593I593-N595 PolarHBondContact O-N 3.28Å
596D61.4Low63.8Low49 Ų4966.6 Ų66.626%0.26237%0.366SS..SBendtrans-92.9137.5-178-78.7-32.8000110.9I593 A600 K604I593-D596 PolarHBondContact O-N 2.87Å; D596-A600 HydrophobicContact CB-CB 4.33Å; D596-K604 IonicContact OD1-NZ 2.63Å; D596-K604 PolarHBondContact OD1-NZ 3.27Å; D596-K604 IonicContact OD2-NZ 2.74Å; D596-K604 PolarHBondContact OD2-NZ 3.36Å
597T72.1Confident64.6Low90 Ų9065 Ų6555%0.55237%0.366SS*.  trans-69.7153.6167560000110.5A599 A600 A601T597-A599 PolarHBondContact O-N 3.18Å; T597-A599 VanDerWaalsContact O-N 3.16Å; T597-A600 WeakPolarHBondContact O-CB 2.91Å; T597-A600 PolarHBondContact O-N 3.2Å; T597-A601 PolarHBondContact O-N 3.32Å; T597-A601 VanDerWaalsContact O-N 3.08Å
598P71.9Confident65.9Low59 Ų5963.5 Ų63.538%0.38336%0.359SS..Hα-helixtrans-56.7-33.9179.320.5-32.5000112.7A601 E602 V641P598-A601 WeakPolarHBondContact O-CB 3.48Å; P598-A601 PolarHBondContact O-N 3.01Å; P598-E602 WeakPolarHBondContact O-CG 3.5Å; P598-E602 PolarHBondContact O-N 2.87Å; P598-V641 HydrophobicContact CB-CG2 3.93Å
599A75.9Confident67.4Low49 Ų4963.2 Ų63.241%0.40536%0.357SS..Hα-helixtrans-65-37.5174.100000113.3T597 A601 E602 V603T597-A599 PolarHBondContact O-N 3.18Å; T597-A599 VanDerWaalsContact O-N 3.16Å; A599-A601 VanDerWaalsContact C-N 3.33Å; A599-E602 PolarHBondContact O-N 3.45Å; A599-V603 WeakPolarHBondContact O-CG2 3.37Å; A599-V603 PolarHBondContact O-N 3.3Å
600A77.1Confident69.3Low30 Ų3065.7 Ų65.725%0.24837%0.366CS..Hα-helixtrans-68.3-35.5174.400000111.4D596 T597 K604D596-A600 HydrophobicContact CB-CB 4.33Å; T597-A600 WeakPolarHBondContact O-CB 2.91Å; T597-A600 PolarHBondContact O-N 3.2Å; A600-K604 WeakPolarHBondContact O-CB 3.14Å; A600-K604 VanDerWaalsContact O-CG 3.25Å; A600-K604 WeakPolarHBondContact O-CG 2.99Å; A600-K604 PolarHBondContact O-N 3.38Å; A600-K604 VanDerWaalsContact O-N 3.07Å
601A74.6Confident71.2Confident13 Ų1364.2 Ų64.211%0.10736%0.357CS..Hα-helixtrans-64.2-39.517400000112.2T597 P598 A599 K604 L605T597-A601 PolarHBondContact O-N 3.32Å; T597-A601 VanDerWaalsContact O-N 3.08Å; P598-A601 WeakPolarHBondContact O-CB 3.48Å; P598-A601 PolarHBondContact O-N 3.01Å; A599-A601 VanDerWaalsContact C-N 3.33Å; A601-K604 PolarHBondContact O-N 3.34Å; A601-L605 WeakPolarHBondContact O-CB 3.4Å; A601-L605 PolarHBondContact O-N 3.12Å
602E79.3Confident73Confident25 Ų2557.3 Ų57.312%0.11732%0.321CS..Hα-helixtrans-60.6-47.5175.5-73171.5-167.400112.7P598 A599 K604 L605 S606 R640 V641 V644P598-E602 WeakPolarHBondContact O-CG 3.5Å; P598-E602 PolarHBondContact O-N 2.87Å; A599-E602 PolarHBondContact O-N 3.45Å; E602-K604 VanDerWaalsContact C-N 3.32Å; E602-K604 PolarHBondContact O-N 3.5Å; E602-L605 PolarHBondContact O-N 3.2Å; E602-S606 WeakPolarHBondContact O-CB 3.4Å; E602-S606 PolarHBondContact O-N 3.19Å; E602-S606 PolarHBondContact O-OG 2.72Å; E602-R640 WeakPolarHBondContact OE1-CD 3.24Å; E602-R640 WeakPolarHBondContact OE1-CG 3.45Å; E602-R640 IonicContact OE1-CZ 3.41Å; E602-R640 IonicContact OE1-NE 3.29Å; E602-R640 PolarHBondContact OE1-NE 3Å; E602-R640 IonicContact OE2-CZ 3.33Å; E602-R640 IonicContact OE2-NE 3.96Å; E602-R640 PolarHBondContact OE2-NE 2.92Å; E602-R640 IonicContact OE2-NH2 3.76Å; E602-R640 PolarHBondContact OE2-NH2 3Å; E602-V641 HydrophobicContact CG-CG2 4.48Å; E602-V644 HydrophobicContact CG-CB 4.5Å; E602-V644 HydrophobicContact CG-CG2 4.11Å
603V81.5Confident74.6Confident103 Ų10356 Ų5662%0.62432%0.315SS*.Hα-helixtrans-65-39.9178.7176.20000110.6A599 S606 S607A599-V603 WeakPolarHBondContact O-CG2 3.37Å; A599-V603 PolarHBondContact O-N 3.3Å; V603-S606 PolarHBondContact O-N 2.81Å; V603-S607 WeakPolarHBondContact O-CB 3.25Å; V603-S607 PolarHBondContact O-N 2.86Å; V603-S607 PolarHBondContact O-OG 3.41Å
604K78.8Confident76Confident87 Ų8757.3 Ų57.338%0.37833%0.33SS..Hα-helixtrans-65.3-39.1175.2-73.6173.6-176.5-179.60112D596 A600 A601 E602 S607 V608D596-K604 IonicContact OD1-NZ 2.63Å; D596-K604 PolarHBondContact OD1-NZ 3.27Å; D596-K604 IonicContact OD2-NZ 2.74Å; D596-K604 PolarHBondContact OD2-NZ 3.36Å; A600-K604 WeakPolarHBondContact O-CB 3.14Å; A600-K604 VanDerWaalsContact O-CG 3.25Å; A600-K604 WeakPolarHBondContact O-CG 2.99Å; A600-K604 PolarHBondContact O-N 3.38Å; A600-K604 VanDerWaalsContact O-N 3.07Å; A601-K604 PolarHBondContact O-N 3.34Å; E602-K604 VanDerWaalsContact C-N 3.32Å; E602-K604 PolarHBondContact O-N 3.5Å; K604-S607 WeakPolarHBondContact CA-OG 3.39Å; K604-S607 PolarHBondContact O-OG 3.31Å; K604-V608 WeakPolarHBondContact O-CG2 3.46Å; K604-V608 PolarHBondContact O-N 3.21Å
605L81.1Confident77.2Confident1 Ų153.5 Ų53.51%0.00531%0.311CS..Hα-helixtrans-65.1-49.9174-94164.6000111.4F588 A601 E602 S607 V608 F609 L628 V641 L645 L648F588-L605 HydrophobicContact CZ-CD2 3.96Å; F588-L605 HydrophobicContact CZ-CG 4.28Å; A601-L605 WeakPolarHBondContact O-CB 3.4Å; A601-L605 PolarHBondContact O-N 3.12Å; E602-L605 PolarHBondContact O-N 3.2Å; L605-S607 VanDerWaalsContact C-N 3.34Å; L605-S607 PolarHBondContact O-N 3.13Å; L605-V608 WeakPolarHBondContact O-CB 3.5Å; L605-V608 PolarHBondContact O-N 2.95Å; L605-V608 VanDerWaalsContact O-N 3.08Å; L605-F609 HydrophobicContact CD2-CE2 4.18Å; L605-F609 WeakPolarHBondContact O-CD2 3.41Å; L605-F609 PolarHBondContact O-N 3.19Å; L605-F609 VanDerWaalsContact O-N 3.07Å; L605-L628 HydrophobicContact CD1-CD1 3.97Å; L605-L628 HydrophobicContact CD1-CD2 3.96Å; L605-L628 HydrophobicContact CD2-CD1 4.45Å; L605-L628 HydrophobicContact CG-CD1 4.25Å; L605-V641 HydrophobicContact CD1-CG1 4.09Å; L605-L645 HydrophobicContact CD2-CD1 4.3Å; L605-L648 HydrophobicContact CB-CD1 4.18Å
606S84.5Confident78.3Confident39 Ų3949.9 Ų49.927%0.27329%0.289SS..Hα-helixtrans-60.4-43.2-178.2-57.60000111.9E602 V603 V608 F609 Q610E602-S606 WeakPolarHBondContact O-CB 3.4Å; E602-S606 PolarHBondContact O-N 3.19Å; E602-S606 PolarHBondContact O-OG 2.72Å; V603-S606 PolarHBondContact O-N 2.81Å; S606-V608 VanDerWaalsContact C-N 3.32Å; S606-V608 PolarHBondContact O-N 3.33Å; S606-F609 PolarHBondContact O-N 3.11Å; S606-Q610 VanDerWaalsContact O-CG 3.32Å; S606-Q610 WeakPolarHBondContact O-CG 3.48Å; S606-Q610 PolarHBondContact O-N 3.37Å
607S82.8Confident79.1Confident55 Ų5548.8 Ų48.839%0.38529%0.285SS..Hα-helixtrans-65.2-31.7175.756.90000113.5V603 K604 L605 R611V603-S607 WeakPolarHBondContact O-CB 3.25Å; V603-S607 PolarHBondContact O-N 2.86Å; V603-S607 PolarHBondContact O-OG 3.41Å; K604-S607 WeakPolarHBondContact CA-OG 3.39Å; K604-S607 PolarHBondContact O-OG 3.31Å; L605-S607 VanDerWaalsContact C-N 3.34Å; L605-S607 PolarHBondContact O-N 3.13Å; S607-R611 WeakPolarHBondContact O-CB 3.45Å; S607-R611 PolarHBondContact O-N 3.25Å
608V82Confident79.4Confident11 Ų1144.5 Ų44.57%0.06726%0.258CS..Hα-helixtrans-68.8-43.9175169.10000111.2K586 K604 L605 S606 R611 A612 L620K586-V608 HydrophobicContact CB-CG1 4.33Å; K586-V608 HydrophobicContact CD-CG2 3.85Å; K586-V608 HydrophobicContact CG-CG2 3.92Å; K604-V608 WeakPolarHBondContact O-CG2 3.46Å; K604-V608 PolarHBondContact O-N 3.21Å; L605-V608 WeakPolarHBondContact O-CB 3.5Å; L605-V608 PolarHBondContact O-N 2.95Å; L605-V608 VanDerWaalsContact O-N 3.08Å; S606-V608 VanDerWaalsContact C-N 3.32Å; S606-V608 PolarHBondContact O-N 3.33Å; V608-R611 PolarHBondContact O-N 2.82Å; V608-A612 PolarHBondContact O-N 3.3Å; V608-L620 HydrophobicContact CG1-CD1 3.55Å; V608-L620 HydrophobicContact CG1-CD2 4.46Å
609F84.3Confident80.1Confident11 Ų1141.7 Ų41.75%0.04824%0.24CC..Hα-helixtrans-66-39175.4-85.2-98.4000111.8L605 S606 R611 A612 S613 L620 L622 L645 L648 L649 V658L605-F609 HydrophobicContact CD2-CE2 4.18Å; L605-F609 WeakPolarHBondContact O-CD2 3.41Å; L605-F609 PolarHBondContact O-N 3.19Å; L605-F609 VanDerWaalsContact O-N 3.07Å; S606-F609 PolarHBondContact O-N 3.11Å; F609-R611 PolarHBondContact O-N 3.31Å; F609-A612 PolarHBondContact O-N 3Å; F609-S613 PolarHBondContact O-N 3.45Å; F609-S613 PolarHBondContact O-OG 3.26Å; F609-L620 HydrophobicContact CD1-CD2 4.11Å; F609-L620 HydrophobicContact CD2-CD2 4.18Å; F609-L620 HydrophobicContact CE1-CD2 3.92Å; F609-L620 HydrophobicContact CE2-CD2 4Å; F609-L620 HydrophobicContact CG-CD2 4.25Å; F609-L620 HydrophobicContact CZ-CD2 3.87Å; F609-L622 HydrophobicContact CZ-CD1 4.46Å; F609-L645 HydrophobicContact CE2-CD1 4.48Å; F609-L648 HydrophobicContact CB-CD2 4.3Å; F609-L648 HydrophobicContact CD1-CB 4.08Å; F609-L648 HydrophobicContact CD2-CB 4.11Å; F609-L648 HydrophobicContact CD2-CD1 3.82Å; F609-L648 HydrophobicContact CD2-CG 4.45Å; F609-L648 HydrophobicContact CE1-CB 4.03Å; F609-L648 HydrophobicContact CE2-CB 4.06Å; F609-L648 HydrophobicContact CE2-CD1 4.18Å; F609-L648 HydrophobicContact CG-CB 4.11Å; F609-L648 HydrophobicContact CG-CD1 4.29Å; F609-L648 HydrophobicContact CG-CD2 4.41Å; F609-L648 HydrophobicContact CZ-CB 4.02Å; F609-L649 HydrophobicContact CZ-CD2 4.26Å; F609-V658 HydrophobicContact CE1-CG2 4.12Å; F609-V658 HydrophobicContact CZ-CG1 4.48Å
610Q84.4Confident80.6Confident139 Ų13939.4 Ų39.465%0.6522%0.221SC*.Hα-helixtrans-60.5-43.5172.7-74.6173.9-8.200112.1S606 S613 A614S606-Q610 VanDerWaalsContact O-CG 3.32Å; S606-Q610 WeakPolarHBondContact O-CG 3.48Å; S606-Q610 PolarHBondContact O-N 3.37Å; Q610-S613 PolarHBondContact O-N 3.41Å; Q610-A614 PolarHBondContact O-N 3.48Å; Q610-A614 VanDerWaalsContact O-N 3.08Å
611R81.6Confident81Confident108 Ų10838 Ų3841%0.40821%0.209SC..Hα-helixtrans-65.5-37.8175.5-174.8174.7173.4177.7-2.1112.2P419 L584 S607 V608 F609 A614 L615P419-R611 PolarHBondContact O-NH2 3.36Å; L584-R611 HydrophobicContact CD2-CG 4.39Å; S607-R611 WeakPolarHBondContact O-CB 3.45Å; S607-R611 PolarHBondContact O-N 3.25Å; V608-R611 PolarHBondContact O-N 2.82Å; F609-R611 PolarHBondContact O-N 3.31Å; R611-A614 PolarHBondContact O-N 3.44Å; R611-L615 HydrophobicContact CG-CD1 4.22Å; R611-L615 WeakPolarHBondContact O-CG 3.4Å; R611-L615 PolarHBondContact O-N 2.88Å
612A80.6Confident81.5Confident1 Ų137.4 Ų37.41%0.00821%0.205CC..Hα-helixtrans-64.8-42.917500000111.5L584 V608 F609 A614 L615 C618 L620 V656L584-A612 HydrophobicContact CD2-CB 4Å; V608-A612 PolarHBondContact O-N 3.3Å; F609-A612 PolarHBondContact O-N 3Å; A612-A614 PolarHBondContact O-N 3.49Å; A612-L615 PolarHBondContact O-N 3.47Å; A612-C618 PolarHBondContact O-SG 2.98Å; A612-L620 HydrophobicContact CB-CB 4.4Å; A612-L620 HydrophobicContact CB-CD2 4.31Å; A612-V656 HydrophobicContact CB-CG1 4.2Å
613S81Confident81.6Confident46 Ų4637.9 Ų37.932%0.32221%0.205SC..Hα-helixtrans-63.2-26.7174.9-66.80000113.4F609 Q610 Q616F609-S613 PolarHBondContact O-N 3.45Å; F609-S613 PolarHBondContact O-OG 3.26Å; Q610-S613 PolarHBondContact O-N 3.41Å; S613-Q616 WeakPolarHBondContact O-CG 3.24Å; S613-Q616 PolarHBondContact O-NE2 3.44Å; S613-Q616 VanDerWaalsContact O-NE2 3.11Å
614A81.4Confident81.3Confident59 Ų5936 Ų3649%0.48819%0.192SC..Hα-helixtrans-74.8-23.9173.600000113.4N505 Q610 R611 A612N505-A614 PolarHBondContact ND2-O 2.97Å; N505-A614 PolarHBondContact OD1-O 2.91Å; Q610-A614 PolarHBondContact O-N 3.48Å; Q610-A614 VanDerWaalsContact O-N 3.08Å; R611-A614 PolarHBondContact O-N 3.44Å; A612-A614 PolarHBondContact O-N 3.49Å
615L74.1Confident81.2Confident10 Ų1032.2 Ų32.25%0.05218%0.175CC..THydrogen-bonded Turntrans-104.831-171.5-68171.7000113.9P419 L584 R611 A612 P617 C618P419-L615 HydrophobicContact CB-CD1 4.06Å; L584-L615 HydrophobicContact CD1-CD1 4.12Å; R611-L615 HydrophobicContact CG-CD1 4.22Å; R611-L615 WeakPolarHBondContact O-CG 3.4Å; R611-L615 PolarHBondContact O-N 2.88Å; A612-L615 PolarHBondContact O-N 3.47Å; L615-P617 CarbonylContact O-C 3.42Å; L615-C618 HydrophobicContact CB-CB 4.48Å; L615-C618 WeakPolarHBondContact O-CB 3.48Å
616Q73.9Confident80.8Confident63 Ų6333.8 Ų33.829%0.29418%0.183SC..  trans-65.3141.7-175.5-65175.917.300112.8N505 S613 P653 S655 V656N505-Q616 WeakPolarHBondContact CB-O 3.44Å; S613-Q616 WeakPolarHBondContact O-CG 3.24Å; S613-Q616 PolarHBondContact O-NE2 3.44Å; S613-Q616 VanDerWaalsContact O-NE2 3.11Å; Q616-P653 VanDerWaalsContact NE2-CG 3.29Å; Q616-S655 VanDerWaalsContact CG-OG 3.26Å; Q616-S655 WeakPolarHBondContact CG-OG 3.23Å; Q616-S655 PolarHBondContact OE1-OG 3Å; Q616-V656 HydrophobicContact CG-CG2 3.97Å
617P77.8Confident80.1Confident25 Ų2534.4 Ų34.416%0.16218%0.183CC..SBendcis-81136.1-10.933.7-33.9000112.2P507 L581 L615 S655P507-P617 HydrophobicContact CB-CG 4.07Å; P507-P617 HydrophobicContact CG-CG 4.32Å; L581-P617 HydrophobicContact CD2-CB 3.79Å; L581-P617 HydrophobicContact CD2-CG 3.87Å; L615-P617 CarbonylContact O-C 3.42Å; P617-S655 WeakPolarHBondContact CA-O 3.46Å
618C79.7Confident79.5Confident0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-144.1158.6-178.570.60000114.3H582 A612 L615 S655 V656 V657H582-C618 HydrophobicContact CB-CB 3.9Å; H582-C618 CarbonylContact O-C 3.52Å; H582-C618 WeakPolarHBondContact O-CA 3.38Å; H582-C618 WeakPolarHBondContact O-CB 3.48Å; A612-C618 PolarHBondContact O-SG 2.98Å; L615-C618 HydrophobicContact CB-CB 4.48Å; L615-C618 WeakPolarHBondContact O-CB 3.48Å; C618-S655 PolarHBondContact N-O 3.06Å; C618-V656 WeakPolarHBondContact O-CA 3.5Å; C618-V657 PolarHBondContact O-N 3.35Å
619I85Confident78.8Confident1 Ų132.7 Ų32.71%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-100.3117.3167.8-55.1-174000108.7I538 V572 L581 H582 L583 L584 V657 V659I538-I619 HydrophobicContact CD1-CD1 4.43Å; V572-I619 HydrophobicContact CG1-CG2 4.15Å; L581-I619 HydrophobicContact CB-CD1 4.31Å; L581-I619 HydrophobicContact CB-CG1 4Å; L581-I619 HydrophobicContact CD1-CD1 3.92Å; L581-I619 HydrophobicContact CD1-CG1 3.61Å; L581-I619 HydrophobicContact CG-CG1 4.5Å; H582-I619 PolarHBondContact O-N 3.33Å; L583-I619 HydrophobicContact CD1-CB 4.15Å; L583-I619 HydrophobicContact CD1-CG2 4.14Å; L584-I619 PolarHBondContact N-O 3.45Å; I619-V657 CarbonylContact C-O 3.24Å; I619-V657 WeakPolarHBondContact CA-O 3.46Å; I619-V657 HydrophobicContact CG1-CB 4.31Å; I619-V659 HydrophobicContact CG2-CB 4.42Å; I619-V659 HydrophobicContact CG2-CG2 3.76Å
620L86.3Confident77.7Confident0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-90111.8171.2174.462.4000109.6L584 V608 F609 A612 L622 V656 V657 V658 V659L584-L620 HydrophobicContact CD2-CD1 3.98Å; L584-L620 HydrophobicContact CG-CD1 4.45Å; V608-L620 HydrophobicContact CG1-CD1 3.55Å; V608-L620 HydrophobicContact CG1-CD2 4.46Å; F609-L620 HydrophobicContact CD1-CD2 4.11Å; F609-L620 HydrophobicContact CD2-CD2 4.18Å; F609-L620 HydrophobicContact CE1-CD2 3.92Å; F609-L620 HydrophobicContact CE2-CD2 4Å; F609-L620 HydrophobicContact CG-CD2 4.25Å; F609-L620 HydrophobicContact CZ-CD2 3.87Å; A612-L620 HydrophobicContact CB-CB 4.4Å; A612-L620 HydrophobicContact CB-CD2 4.31Å; L620-L622 HydrophobicContact CD1-CD2 4.21Å; L620-L622 HydrophobicContact CD2-CD2 4.23Å; L620-L622 HydrophobicContact CG-CD2 4.09Å; L620-L622 HydrophobicContact CG-CG 4.42Å; L620-V656 HydrophobicContact CB-CG1 4.36Å; L620-V657 PolarHBondContact N-O 2.96Å; L620-V658 HydrophobicContact CD2-CG1 4.34Å; L620-V658 HydrophobicContact CD2-CG2 4.3Å; L620-V659 PolarHBondContact O-N 3.45Å
621L86.8Confident76.2Confident0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-98.4111.1177.417761.7000111.3I569 V572 L583 L584 K586 R623 V659 T661I569-L621 HydrophobicContact CG2-CD2 4.4Å; V572-L621 HydrophobicContact CB-CD1 4.42Å; V572-L621 HydrophobicContact CG1-CD1 4.17Å; V572-L621 HydrophobicContact CG1-CD2 4.33Å; V572-L621 HydrophobicContact CG2-CD1 4.2Å; L583-L621 HydrophobicContact CD1-CB 4.22Å; L584-L621 PolarHBondContact O-N 3.46Å; K586-L621 PolarHBondContact N-O 2.87Å; L621-R623 HydrophobicContact CD2-CG 4.46Å; L621-R623 HydrophobicContact CG-CG 4.27Å; L621-V659 CarbonylContact C-O 3.56Å; L621-V659 WeakPolarHBondContact CA-O 3.42Å; L621-V659 HydrophobicContact CD1-CB 4.36Å; L621-V659 HydrophobicContact CD1-CG1 4.27Å; L621-T661 HydrophobicContact CD1-CG2 3.94Å
622L85Confident74.4Confident2 Ų234.7 Ų34.71%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-92.3114.8172.4-54.8178.2000110F588 F609 L620 L625 L645 V658 V659 A660 T661F588-L622 HydrophobicContact CE2-CD2 4.03Å; F609-L622 HydrophobicContact CZ-CD1 4.46Å; L620-L622 HydrophobicContact CD1-CD2 4.21Å; L620-L622 HydrophobicContact CD2-CD2 4.23Å; L620-L622 HydrophobicContact CG-CD2 4.09Å; L620-L622 HydrophobicContact CG-CG 4.42Å; L622-L625 HydrophobicContact CB-CD1 4.36Å; L622-L625 HydrophobicContact CD1-CD1 4.17Å; L622-L645 HydrophobicContact CD1-CD1 4.23Å; L622-V658 HydrophobicContact CD1-CG1 3.95Å; L622-V658 HydrophobicContact CG-CG1 4.35Å; L622-V659 PolarHBondContact N-O 3.39Å; L622-A660 HydrophobicContact CB-CB 4.46Å; L622-T661 PolarHBondContact O-N 3.46Å; L622-T661 PolarHBondContact O-OG1 3.17Å
623R80.9Confident72.7Confident35 Ų3538.7 Ų38.713%0.13224%0.239CC..  trans-89.6137.4-178.1-66.3-167.7-174.8173.56.4113I587 L621 L625 T661I587-R623 VanDerWaalsContact CD1-NH1 3.3Å; L621-R623 HydrophobicContact CD2-CG 4.46Å; L621-R623 HydrophobicContact CG-CG 4.27Å; R623-L625 PolarHBondContact O-N 3.36Å; R623-T661 WeakPolarHBondContact CA-OG1 3.38Å
624N74.4Confident70.7Confident63 Ų6339.2 Ų39.234%0.33725%0.246SC..  trans47.657.7171.6-65.5-18.7000112.6Q626 L627 T661N624-Q626 PolarHBondContact O-N 3.28Å; N624-L627 HydrophobicContact CB-CD1 3.91Å; N624-L627 HydrophobicContact CB-CG 4.22Å; N624-L627 PolarHBondContact O-N 3.3Å; N624-T661 VanDerWaalsContact CA-O 3.3Å; N624-T661 WeakPolarHBondContact CA-O 3.45Å; N624-T661 PolarHBondContact N-O 2.89Å; N624-T661 PolarHBondContact N-OG1 2.86Å
625L77.3Confident69Low7 Ų741.9 Ų41.94%0.03727%0.268CS..Hα-helixtrans-53.2-30-175.2-161115.5000112.4L622 R623 L627 L628 L629 L645 A660 T661 V662 L668 I672 F676L622-L625 HydrophobicContact CB-CD1 4.36Å; L622-L625 HydrophobicContact CD1-CD1 4.17Å; R623-L625 PolarHBondContact O-N 3.36Å; L625-L627 VanDerWaalsContact C-N 3.27Å; L625-L627 PolarHBondContact O-N 3.31Å; L625-L628 PolarHBondContact O-N 3.1Å; L625-L628 VanDerWaalsContact O-N 3.11Å; L625-L629 HydrophobicContact CD2-CD1 3.48Å; L625-L629 VanDerWaalsContact CD2-CD1 3.48Å; L625-L629 HydrophobicContact CD2-CG 4.3Å; L625-L629 HydrophobicContact CG-CD1 4.24Å; L625-L629 WeakPolarHBondContact O-CG 3.36Å; L625-L629 PolarHBondContact O-N 3.11Å; L625-L645 HydrophobicContact CD1-CD2 3.93Å; L625-L645 HydrophobicContact CD2-CD2 4.21Å; L625-L645 HydrophobicContact CG-CD2 4.36Å; L625-A660 HydrophobicContact CD1-CB 3.92Å; L625-T661 PolarHBondContact N-O 2.88Å; L625-V662 HydrophobicContact CB-CG2 3.84Å; L625-L668 HydrophobicContact CD2-CD2 3.55Å; L625-I672 HydrophobicContact CD2-CG2 3.89Å; L625-F676 HydrophobicContact CD1-CZ 4.36Å
626Q73.3Confident67.9Low35 Ų3549.1 Ų49.116%0.16430%0.301CS..Hα-helixtrans-53.6-35.5173.271.3-169.132.200114.7N624 L628 L629 K630 C663 D667N624-Q626 PolarHBondContact O-N 3.28Å; Q626-L628 VanDerWaalsContact C-N 3.31Å; Q626-L629 PolarHBondContact O-N 3.4Å; Q626-K630 WeakPolarHBondContact O-CB 3.45Å; Q626-K630 PolarHBondContact O-N 3.09Å; Q626-C663 VanDerWaalsContact OE1-CB 3.26Å; Q626-D667 HydrophobicContact CB-CB 4.31Å
627L70.3Confident66.9Low52 Ų5251.3 Ų51.327%0.27232%0.315SS..Hα-helixtrans-76.8-22.5-178.4-68.3176.4000112.4K590 N624 L625K590-L627 HydrophobicContact CG-CD2 4.36Å; N624-L627 HydrophobicContact CB-CD1 3.91Å; N624-L627 HydrophobicContact CB-CG 4.22Å; N624-L627 PolarHBondContact O-N 3.3Å; L625-L627 VanDerWaalsContact C-N 3.27Å; L625-L627 PolarHBondContact O-N 3.31Å
628L70.5Confident66.1Low17 Ų1753.8 Ų53.89%0.08933%0.327CS..Hα-helixtrans-82.8-23.5176.5-175138.8000111.5F588 L605 L625 Q626 V641F588-L628 HydrophobicContact CD1-CD1 3.81Å; F588-L628 HydrophobicContact CD2-CD1 4Å; F588-L628 HydrophobicContact CE1-CD1 3.6Å; F588-L628 HydrophobicContact CE2-CD1 3.82Å; F588-L628 HydrophobicContact CG-CD1 3.99Å; F588-L628 HydrophobicContact CZ-CD1 3.61Å; L605-L628 HydrophobicContact CD1-CD1 3.97Å; L605-L628 HydrophobicContact CD1-CD2 3.96Å; L605-L628 HydrophobicContact CD2-CD1 4.45Å; L605-L628 HydrophobicContact CG-CD1 4.25Å; L625-L628 PolarHBondContact O-N 3.1Å; L625-L628 VanDerWaalsContact O-N 3.11Å; Q626-L628 VanDerWaalsContact C-N 3.31Å; L628-V641 HydrophobicContact CD2-CG1 3.55Å; L628-V641 HydrophobicContact CG-CG1 4.38Å
629L66.4Low65.5Low12 Ų1255.7 Ų55.76%0.06335%0.347CS..Hα-helixtrans-97.7-27-176.7-61.1172000113.8L625 Q626 Q642 L668 I672L625-L629 HydrophobicContact CD2-CD1 3.48Å; L625-L629 VanDerWaalsContact CD2-CD1 3.48Å; L625-L629 HydrophobicContact CD2-CG 4.3Å; L625-L629 HydrophobicContact CG-CD1 4.24Å; L625-L629 WeakPolarHBondContact O-CG 3.36Å; L625-L629 PolarHBondContact O-N 3.11Å; Q626-L629 PolarHBondContact O-N 3.4Å; L629-Q642 HydrophobicContact CD2-CB 4.43Å; L629-Q642 HydrophobicContact CD2-CG 3.73Å; L629-L668 HydrophobicContact CD1-CD2 3.35Å; L629-I672 HydrophobicContact CD1-CD1 3.4Å; L629-I672 VanDerWaalsContact CD1-CD1 3.4Å; L629-I672 HydrophobicContact CD2-CD1 3.44Å; L629-I672 VanDerWaalsContact CD2-CD1 3.44Å; L629-I672 HydrophobicContact CG-CD1 4.07Å
630K61.4Low65Low103 Ų10363.4 Ų63.445%0.44838%0.376SS..  trans-103.698.4179-68-173.6175.1-173.90110.7Q626 D667Q626-K630 WeakPolarHBondContact O-CB 3.45Å; Q626-K630 PolarHBondContact O-N 3.09Å; K630-D667 WeakPolarHBondContact CE-O 3.35Å; K630-D667 IonicContact NZ-OD1 2.74Å; K630-D667 PolarHBondContact NZ-OD1 2.69Å
631T53Low64.6Low88 Ų8863.9 Ų63.954%0.5438%0.378SS..  trans-74.2125.2166.1-36.70000108.3G633T631-G633 PolarHBondContact O-N 2.88Å
632P43.5Very low64.1Low109 Ų10965.1 Ų65.171%0.70838%0.384SS*.THydrogen-bonded Turntrans-69.9107.6-178.226.5-31.5000110.4
633G44.8Very low63.9Low86 Ų8667.9 Ų67.989%0.88741%0.407SS*.THydrogen-bonded Turntrans126.8-4.4166.600000117.7T631T631-G633 PolarHBondContact O-N 2.88Å
634A39.9Very low64Low57 Ų5767.5 Ų67.547%0.47141%0.409SS..  trans-102.4127.3173.300000110.2E636A634-E636 PolarHBondContact O-N 2.89Å
635A45.4Very low64.5Low115 Ų11564.5 Ų64.595%0.9539%0.393SS*.SBendtrans-71.1-2.6170.800000112.7
636E50.3Low64.7Low162 Ų16266.2 Ų66.276%0.75741%0.405SS*.SBendtrans-113.1119.6174.4-64.5-173.4164.500108.5A634 D638A634-E636 PolarHBondContact O-N 2.89Å; E636-D638 PolarHBondContact O-N 2.75Å
637D53.4Low65.3Low108 Ų10871.3 Ų71.358%0.57843%0.429SS*.  trans-59.5117.8166.3-76.1-32.4000107.9G639D637-G639 PolarHBondContact O-N 3.24Å
638D59.8Low66Low77 Ų7770.1 Ų70.141%0.41242%0.423SS..  trans-64.686.7170.2-83.5-36.5000108.8E636 R640 V641E636-D638 PolarHBondContact O-N 2.75Å; D638-R640 PolarHBondContact O-N 3.42Å; D638-V641 PolarHBondContact O-N 3.15Å
639G67.2Low66.6Low41 Ų4169.7 Ų69.742%0.42342%0.42SS..Hα-helixtrans-60.6-9.8-176.900000114.2D637 Q642 A643D637-G639 PolarHBondContact O-N 3.24Å; G639-Q642 PolarHBondContact O-N 3.03Å; G639-A643 WeakPolarHBondContact O-CB 3.42Å; G639-A643 PolarHBondContact O-N 2.91Å
640R74.8Confident67.2Low162 Ų16272.5 Ų72.561%0.61145%0.453SS*.Hα-helixtrans-67.7-48.4-178.1-161.8-174.9158.4151.70.2112.8E602 D638 Q642 A643 V644E602-R640 WeakPolarHBondContact OE1-CD 3.24Å; E602-R640 WeakPolarHBondContact OE1-CG 3.45Å; E602-R640 IonicContact OE1-CZ 3.41Å; E602-R640 IonicContact OE1-NE 3.29Å; E602-R640 PolarHBondContact OE1-NE 3Å; E602-R640 IonicContact OE2-CZ 3.33Å; E602-R640 IonicContact OE2-NE 3.96Å; E602-R640 PolarHBondContact OE2-NE 2.92Å; E602-R640 IonicContact OE2-NH2 3.76Å; E602-R640 PolarHBondContact OE2-NH2 3Å; D638-R640 PolarHBondContact O-N 3.42Å; R640-Q642 VanDerWaalsContact C-N 3.27Å; R640-Q642 PolarHBondContact O-N 2.9Å; R640-A643 PolarHBondContact O-N 3.47Å; R640-V644 WeakPolarHBondContact O-CG2 3.42Å; R640-V644 PolarHBondContact O-N 2.84Å
641V77.8Confident68.1Low10 Ų1071.5 Ų71.56%0.06146%0.458CS..Hα-helixtrans-66.1-35.6176.9-1800000110.4P598 E602 L605 L628 D638 L645P598-V641 HydrophobicContact CB-CG2 3.93Å; E602-V641 HydrophobicContact CG-CG2 4.48Å; L605-V641 HydrophobicContact CD1-CG1 4.09Å; L628-V641 HydrophobicContact CD2-CG1 3.55Å; L628-V641 HydrophobicContact CG-CG1 4.38Å; D638-V641 PolarHBondContact O-N 3.15Å; V641-L645 WeakPolarHBondContact O-CB 3.44Å; V641-L645 PolarHBondContact O-N 3.02Å
642Q76.9Confident69.3Low26 Ų2667.9 Ų67.912%0.12144%0.438CS..Hα-helixtrans-63-46.2175.4-48-156-6.800111.5L629 G639 R640 L645 C646 S669 I672L629-Q642 HydrophobicContact CD2-CB 4.43Å; L629-Q642 HydrophobicContact CD2-CG 3.73Å; G639-Q642 PolarHBondContact O-N 3.03Å; R640-Q642 VanDerWaalsContact C-N 3.27Å; R640-Q642 PolarHBondContact O-N 2.9Å; Q642-L645 PolarHBondContact O-N 3.17Å; Q642-C646 PolarHBondContact O-N 3.5Å; Q642-C646 PolarHBondContact O-SG 3.42Å; Q642-C646 VanDerWaalsContact O-SG 3.4Å; Q642-S669 PolarHBondContact OE1-OG 2.95Å; Q642-I672 HydrophobicContact CB-CD1 3.96Å; Q642-I672 HydrophobicContact CB-CG1 4.44Å; Q642-I672 HydrophobicContact CG-CD1 4.02Å
643A80.8Confident70.7Confident60 Ų6064.4 Ų64.450%0.49642%0.415SS..Hα-helixtrans-63.1-44.3178.700000112.2G639 R640 L645 C646 Q647G639-A643 WeakPolarHBondContact O-CB 3.42Å; G639-A643 PolarHBondContact O-N 2.91Å; R640-A643 PolarHBondContact O-N 3.47Å; A643-L645 VanDerWaalsContact C-N 3.33Å; A643-L645 PolarHBondContact O-N 2.83Å; A643-C646 PolarHBondContact O-N 3.33Å; A643-Q647 WeakPolarHBondContact O-CB 2.97Å; A643-Q647 PolarHBondContact O-N 3.34Å
644V83.2Confident72Confident27 Ų2762.1 Ų62.116%0.16439%0.387CS..Hα-helixtrans-62.1-41.8176.4172.90000111E602 R640 Q647 L648E602-V644 HydrophobicContact CG-CB 4.5Å; E602-V644 HydrophobicContact CG-CG2 4.11Å; R640-V644 WeakPolarHBondContact O-CG2 3.42Å; R640-V644 PolarHBondContact O-N 2.84Å; V644-Q647 PolarHBondContact O-N 3.31Å; V644-L648 HydrophobicContact CG1-CD1 3.91Å; V644-L648 HydrophobicContact CG1-CG 4.3Å; V644-L648 WeakPolarHBondContact O-CB 3.23Å; V644-L648 VanDerWaalsContact O-CG 3.3Å; V644-L648 WeakPolarHBondContact O-CG 3.28Å; V644-L648 PolarHBondContact O-N 3.49Å
645L84.6Confident73.6Confident1 Ų160.6 Ų60.61%0.00537%0.373CS..Hα-helixtrans-61.1-47176.1179.367000111.6L605 F609 L622 L625 V641 Q642 A643 Q647 L648 L649L605-L645 HydrophobicContact CD2-CD1 4.3Å; F609-L645 HydrophobicContact CE2-CD1 4.48Å; L622-L645 HydrophobicContact CD1-CD1 4.23Å; L625-L645 HydrophobicContact CD1-CD2 3.93Å; L625-L645 HydrophobicContact CD2-CD2 4.21Å; L625-L645 HydrophobicContact CG-CD2 4.36Å; V641-L645 WeakPolarHBondContact O-CB 3.44Å; V641-L645 PolarHBondContact O-N 3.02Å; Q642-L645 PolarHBondContact O-N 3.17Å; A643-L645 VanDerWaalsContact C-N 3.33Å; A643-L645 PolarHBondContact O-N 2.83Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-Q647 PolarHBondContact O-N 2.72Å; L645-L648 PolarHBondContact O-N 3.33Å; L645-L649 HydrophobicContact CD1-CG 4.46Å; L645-L649 HydrophobicContact CG-CD1 4.19Å; L645-L649 VanDerWaalsContact O-CG 3.29Å; L645-L649 WeakPolarHBondContact O-CG 3.48Å; L645-L649 PolarHBondContact O-N 3.46Å
646C82.6Confident75.3Confident43 Ų4355.2 Ų55.229%0.29133%0.329SS..Hα-helixtrans-61.5-39.1177.1-68.70000112.1Q642 A643 L649 G650Q642-C646 PolarHBondContact O-N 3.5Å; Q642-C646 PolarHBondContact O-SG 3.42Å; Q642-C646 VanDerWaalsContact O-SG 3.4Å; A643-C646 PolarHBondContact O-N 3.33Å; C646-L649 PolarHBondContact O-N 2.96Å; C646-G650 PolarHBondContact O-N 3.18Å; C646-G650 VanDerWaalsContact O-N 3.07Å
647Q85Confident77Confident142 Ų14247.5 Ų47.566%0.66429%0.293SS*.Hα-helixtrans-64-42.7174.4-174.3-177.1-6.500112A643 V644 L645 G650 S651A643-Q647 WeakPolarHBondContact O-CB 2.97Å; A643-Q647 PolarHBondContact O-N 3.34Å; V644-Q647 PolarHBondContact O-N 3.31Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-Q647 PolarHBondContact O-N 2.72Å; Q647-G650 PolarHBondContact O-N 3Å; Q647-S651 WeakPolarHBondContact O-CB 3.46Å; Q647-S651 PolarHBondContact O-N 2.63Å; Q647-S651 PolarHBondContact O-OG 3.26Å
648L84Confident78.6Confident26 Ų2642.4 Ų42.414%0.13627%0.265CS..Hα-helixtrans-67.2-36.9177.9-71.1174.4000112.4L605 F609 V644 L645 S651 A652L605-L648 HydrophobicContact CB-CD1 4.18Å; F609-L648 HydrophobicContact CB-CD2 4.3Å; F609-L648 HydrophobicContact CD1-CB 4.08Å; F609-L648 HydrophobicContact CD2-CB 4.11Å; F609-L648 HydrophobicContact CD2-CD1 3.82Å; F609-L648 HydrophobicContact CD2-CG 4.45Å; F609-L648 HydrophobicContact CE1-CB 4.03Å; F609-L648 HydrophobicContact CE2-CB 4.06Å; F609-L648 HydrophobicContact CE2-CD1 4.18Å; F609-L648 HydrophobicContact CG-CB 4.11Å; F609-L648 HydrophobicContact CG-CD1 4.29Å; F609-L648 HydrophobicContact CG-CD2 4.41Å; F609-L648 HydrophobicContact CZ-CB 4.02Å; V644-L648 HydrophobicContact CG1-CD1 3.91Å; V644-L648 HydrophobicContact CG1-CG 4.3Å; V644-L648 WeakPolarHBondContact O-CB 3.23Å; V644-L648 VanDerWaalsContact O-CG 3.3Å; V644-L648 WeakPolarHBondContact O-CG 3.28Å; V644-L648 PolarHBondContact O-N 3.49Å; L645-L648 PolarHBondContact O-N 3.33Å; L648-S651 WeakPolarHBondContact CA-OG 3.44Å; L648-S651 PolarHBondContact O-N 2.99Å; L648-S651 PolarHBondContact O-OG 3.07Å; L648-A652 PolarHBondContact O-N 3.37Å
649L83.4Confident80Confident8 Ų838.8 Ų38.84%0.04225%0.246CC..Hα-helixtrans-64-40.1173.2-69.2171.7000111.9T557 F609 L645 C646 V658 A675 F676T557-L649 HydrophobicContact CG2-CB 4.49Å; T557-L649 HydrophobicContact CG2-CD2 3.91Å; F609-L649 HydrophobicContact CZ-CD2 4.26Å; L645-L649 HydrophobicContact CD1-CG 4.46Å; L645-L649 HydrophobicContact CG-CD1 4.19Å; L645-L649 VanDerWaalsContact O-CG 3.29Å; L645-L649 WeakPolarHBondContact O-CG 3.48Å; L645-L649 PolarHBondContact O-N 3.46Å; C646-L649 PolarHBondContact O-N 2.96Å; L649-V658 HydrophobicContact CD2-CB 4.11Å; L649-V658 HydrophobicContact CD2-CG1 3.71Å; L649-V658 HydrophobicContact CD2-CG2 4.36Å; L649-A675 HydrophobicContact CD1-CB 3.89Å; L649-F676 HydrophobicContact CD1-CE1 4.36Å; L649-F676 HydrophobicContact CD1-CE2 4.15Å; L649-F676 HydrophobicContact CD1-CZ 3.93Å; L649-F676 HydrophobicContact CD2-CE1 4.31Å; L649-F676 HydrophobicContact CD2-CZ 4.45Å
650G79.1Confident80.9Confident72 Ų7236.9 Ų36.974%0.74223%0.226SC*.Hα-helixtrans-72.7-24.8177.600000114.8C646 Q647C646-G650 PolarHBondContact O-N 3.18Å; C646-G650 VanDerWaalsContact O-N 3.07Å; Q647-G650 PolarHBondContact O-N 3Å
651S80.3Confident81.5Confident81 Ų8129.3 Ų29.357%0.56620%0.198SC*.Hα-helixtrans-97.2-1-178.553.20000114.2Q647 L648Q647-S651 WeakPolarHBondContact O-CB 3.46Å; Q647-S651 PolarHBondContact O-N 2.63Å; Q647-S651 PolarHBondContact O-OG 3.26Å; L648-S651 WeakPolarHBondContact CA-OG 3.44Å; L648-S651 PolarHBondContact O-N 2.99Å; L648-S651 PolarHBondContact O-OG 3.07Å
652A77.8Confident81.9Confident13 Ų1328.8 Ų28.811%0.10720%0.195CC..  trans-69.4139.1179.400000111.3A555 L648A555-A652 HydrophobicContact CB-CB 3.7Å; L648-A652 PolarHBondContact O-N 3.37Å
653P74.7Confident81.9Confident36 Ų3628.8 Ų28.823%0.23420%0.197CC..  trans-70.8149.5177.327.7-32.3000111.6Q616 S655 V656Q616-P653 VanDerWaalsContact NE2-CG 3.29Å; P653-S655 PolarHBondContact O-N 2.87Å; P653-V656 HydrophobicContact CG-CB 4.22Å; P653-V656 HydrophobicContact CG-CG2 3.74Å; P653-V656 PolarHBondContact O-N 3.28Å
654A70.6Confident81.7Confident37 Ų3731.8 Ų31.831%0.30620%0.196SC..THydrogen-bonded Turntrans-59.2-22-177.100000114.8V656A654-V656 VanDerWaalsContact C-N 3.29Å; A654-V656 PolarHBondContact O-N 2.96Å
655S74.5Confident81.1Confident25 Ų2532 Ų3218%0.17520%0.201CC..THydrogen-bonded Turntrans-79.9-4.7176.354.80000114.1Q616 P617 C618 P653Q616-S655 VanDerWaalsContact CG-OG 3.26Å; Q616-S655 WeakPolarHBondContact CG-OG 3.23Å; Q616-S655 PolarHBondContact OE1-OG 3Å; P617-S655 WeakPolarHBondContact CA-O 3.46Å; C618-S655 PolarHBondContact N-O 3.06Å; P653-S655 PolarHBondContact O-N 2.87Å
656V81.1Confident80.3Confident2 Ų238.1 Ų38.11%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-110.2120.6176.5177.60000109.3A612 Q616 C618 L620 P653 A654 V658A612-V656 HydrophobicContact CB-CG1 4.2Å; Q616-V656 HydrophobicContact CG-CG2 3.97Å; C618-V656 WeakPolarHBondContact O-CA 3.5Å; L620-V656 HydrophobicContact CB-CG1 4.36Å; P653-V656 HydrophobicContact CG-CB 4.22Å; P653-V656 HydrophobicContact CG-CG2 3.74Å; P653-V656 PolarHBondContact O-N 3.28Å; A654-V656 VanDerWaalsContact C-N 3.29Å; A654-V656 PolarHBondContact O-N 2.96Å; V656-V658 HydrophobicContact CG1-CG2 4.35Å
657V85.3Confident79.7Confident1 Ų137.9 Ų37.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-95.8123.1176.2-179.10000108.4I538 C556 C618 I619 L620 V659I538-V657 HydrophobicContact CD1-CG1 4.1Å; I538-V657 HydrophobicContact CG1-CG1 4.03Å; I538-V657 HydrophobicContact CG2-CG1 4.46Å; I538-V657 HydrophobicContact CG2-CG2 3.83Å; C556-V657 HydrophobicContact CB-CG1 4.32Å; C556-V657 HydrophobicContact CB-CG2 4.43Å; C618-V657 PolarHBondContact O-N 3.35Å; I619-V657 CarbonylContact C-O 3.24Å; I619-V657 WeakPolarHBondContact CA-O 3.46Å; I619-V657 HydrophobicContact CG1-CB 4.31Å; L620-V657 PolarHBondContact N-O 2.96Å; V657-V659 HydrophobicContact CG1-CG2 4.03Å
658V87.3Confident79.2Confident0 Ų031.8 Ų31.80%019%0.192CC..EExtended strand (participates in β ladder)trans-102.7119179.6-173.50000109.6C556 T557 V558 F609 L620 L622 L649 V656C556-V658 PolarHBondContact O-N 3.3Å; T557-V658 WeakPolarHBondContact CA-O 3.44Å; T557-V658 HydrophobicContact CG2-CB 4.32Å; V558-V658 PolarHBondContact N-O 3.35Å; F609-V658 HydrophobicContact CE1-CG2 4.12Å; F609-V658 HydrophobicContact CZ-CG1 4.48Å; L620-V658 HydrophobicContact CD2-CG1 4.34Å; L620-V658 HydrophobicContact CD2-CG2 4.3Å; L622-V658 HydrophobicContact CD1-CG1 3.95Å; L622-V658 HydrophobicContact CG-CG1 4.35Å; L649-V658 HydrophobicContact CD2-CB 4.11Å; L649-V658 HydrophobicContact CD2-CG1 3.71Å; L649-V658 HydrophobicContact CD2-CG2 4.36Å; V656-V658 HydrophobicContact CG1-CG2 4.35Å
659V88.5Confident78.8Confident2 Ų232.3 Ų32.31%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-116.9118.3179.5-173.90000109.7V558 L560 V572 I619 L620 L621 L622 V657V558-V659 HydrophobicContact CB-CG2 4.39Å; V558-V659 CarbonylContact O-C 3.59Å; V558-V659 WeakPolarHBondContact O-CA 3.44Å; L560-V659 HydrophobicContact CD1-CG1 3.21Å; V572-V659 HydrophobicContact CG1-CB 4.5Å; V572-V659 HydrophobicContact CG1-CG1 4.41Å; V572-V659 HydrophobicContact CG2-CG1 3.69Å; I619-V659 HydrophobicContact CG2-CB 4.42Å; I619-V659 HydrophobicContact CG2-CG2 3.76Å; L620-V659 PolarHBondContact O-N 3.45Å; L621-V659 CarbonylContact C-O 3.56Å; L621-V659 WeakPolarHBondContact CA-O 3.42Å; L621-V659 HydrophobicContact CD1-CB 4.36Å; L621-V659 HydrophobicContact CD1-CG1 4.27Å; L622-V659 PolarHBondContact N-O 3.39Å; V657-V659 HydrophobicContact CG1-CG2 4.03Å
660A87.7Confident78.3Confident0 Ų039 Ų390%023%0.23CC..EExtended strand (participates in β ladder)trans-104.7145.1176.500000111.5V558 L559 L560 L622 L625 F676V558-A660 PolarHBondContact O-N 3.46Å; L559-A660 HydrophobicContact CD1-CB 3.89Å; L560-A660 PolarHBondContact N-O 3.48Å; L622-A660 HydrophobicContact CB-CB 4.46Å; L625-A660 HydrophobicContact CD1-CB 3.92Å; A660-F676 HydrophobicContact CB-CD1 4.48Å; A660-F676 HydrophobicContact CB-CE1 3.52Å; A660-F676 HydrophobicContact CB-CE2 4.27Å; A660-F676 HydrophobicContact CB-CZ 3.4Å; A660-F676 VanDerWaalsContact CB-CZ 3.4Å
661T87.3Confident78Confident3 Ų338.2 Ų38.22%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-119.4134.5176.452.90000111.7L560 K568 L621 L622 R623 N624 L625L560-T661 HydrophobicContact CB-CG2 4.29Å; L560-T661 WeakPolarHBondContact O-CA 3.47Å; K568-T661 HydrophobicContact CB-CG2 3.82Å; K568-T661 HydrophobicContact CD-CG2 4.13Å; L621-T661 HydrophobicContact CD1-CG2 3.94Å; L622-T661 PolarHBondContact O-N 3.46Å; L622-T661 PolarHBondContact O-OG1 3.17Å; R623-T661 WeakPolarHBondContact CA-OG1 3.38Å; N624-T661 VanDerWaalsContact CA-O 3.3Å; N624-T661 WeakPolarHBondContact CA-O 3.45Å; N624-T661 PolarHBondContact N-O 2.89Å; N624-T661 PolarHBondContact N-OG1 2.86Å; L625-T661 PolarHBondContact N-O 2.88Å
662V85.7Confident77.9Confident0 Ų034.4 Ų34.40%020%0.195CC..  trans-138.9146.4-177.5-179.20000110.8L559 L560 H561 G562 K568 L625 R664 L668L559-V662 HydrophobicContact CD1-CG2 3.73Å; L560-V662 PolarHBondContact O-N 3.34Å; H561-V662 WeakPolarHBondContact CA-O 3.47Å; G562-V662 PolarHBondContact N-O 2.8Å; K568-V662 WeakPolarHBondContact CE-O 3.39Å; K568-V662 PolarHBondContact NZ-O 3.26Å; L625-V662 HydrophobicContact CB-CG2 3.84Å; V662-R664 WeakPolarHBondContact CG1-O 3.46Å; V662-L668 HydrophobicContact CG1-CD1 4.32Å; V662-L668 HydrophobicContact CG1-CG 4.22Å; V662-L668 HydrophobicContact CG2-CD1 3.86Å; V662-L668 HydrophobicContact CG2-CD2 4.28Å; V662-L668 HydrophobicContact CG2-CG 4.32Å
663C77.4Confident78Confident25 Ų2535.4 Ų35.417%0.16920%0.198CC..SBendtrans-79.2-43.7178.3-630000112.2G562 Q626G562-C663 CarbonylContact C-O 3.56Å; G562-C663 VanDerWaalsContact C-O 3.24Å; G562-C663 CarbonylContact O-C 3.45Å; G562-C663 VanDerWaalsContact O-CA 3.29Å; G562-C663 WeakPolarHBondContact O-CA 3.21Å; Q626-C663 VanDerWaalsContact OE1-CB 3.26Å
664R74.7Confident78.1Confident123 Ų12336.8 Ų36.846%0.46422%0.219SC..  trans-133.1130.5177.5-57.2169.2166.7-1800.8109.9V662 R666 D667V662-R664 WeakPolarHBondContact CG1-O 3.46Å; R664-R666 HydrophobicContact CB-CG 3.91Å; R664-R666 PolarHBondContact O-N 3.06Å; R664-D667 WeakPolarHBondContact CB-OD2 3.45Å; R664-D667 WeakPolarHBondContact O-CB 3.24Å; R664-D667 PolarHBondContact O-N 3.21Å; R664-D667 VanDerWaalsContact O-N 3.1Å
665A71Confident78.5Confident32 Ų3236.4 Ų36.426%0.26422%0.216SC..G310 helixtrans-59-35.4179.400000112.3H561 D667 L668H561-A665 HydrophobicContact CB-CB 4.34Å; A665-D667 PolarHBondContact O-N 3.2Å; A665-D667 VanDerWaalsContact O-N 3.16Å; A665-L668 PolarHBondContact O-N 3.23Å
666R69.2Low79Confident130 Ų13035.5 Ų35.549%0.49121%0.208SC..G310 helixtrans-63.4-14.1176.362.6179.4151.5-171.2-6.5116R664 L668 H874R664-R666 HydrophobicContact CB-CG 3.91Å; R664-R666 PolarHBondContact O-N 3.06Å; R666-L668 PolarHBondContact O-N 3.43Å; R666-H874 PolarHBondContact NH2-CD2 3.44Å; R666-H874 VanDerWaalsContact NH2-CD2 3.29Å; R666-H874 PolarHBondContact NH2-CE1 3.49Å; R666-H874 PolarHBondContact NH2-NE2 3.06Å
667D68.9Low79.2Confident38 Ų3839.7 Ų39.720%0.20323%0.234CC..G310 helixtrans-78.8-5.1177-74-41.9000112.5Q626 K630 R664 A665Q626-D667 HydrophobicContact CB-CB 4.31Å; K630-D667 WeakPolarHBondContact CE-O 3.35Å; K630-D667 IonicContact NZ-OD1 2.74Å; K630-D667 PolarHBondContact NZ-OD1 2.69Å; R664-D667 WeakPolarHBondContact CB-OD2 3.45Å; R664-D667 WeakPolarHBondContact O-CB 3.24Å; R664-D667 PolarHBondContact O-N 3.21Å; R664-D667 VanDerWaalsContact O-N 3.1Å; A665-D667 PolarHBondContact O-N 3.2Å; A665-D667 VanDerWaalsContact O-N 3.16Å
668L74.6Confident79.2Confident14 Ų1442 Ų427%0.07324%0.244CC..SBendtrans-104.7147.8179.4-62.2178.8000112.3L559 L625 L629 V662 A665 R666 M673L559-L668 HydrophobicContact CD1-CD1 4.02Å; L559-L668 HydrophobicContact CD2-CD1 3.78Å; L625-L668 HydrophobicContact CD2-CD2 3.55Å; L629-L668 HydrophobicContact CD1-CD2 3.35Å; V662-L668 HydrophobicContact CG1-CD1 4.32Å; V662-L668 HydrophobicContact CG1-CG 4.22Å; V662-L668 HydrophobicContact CG2-CD1 3.86Å; V662-L668 HydrophobicContact CG2-CD2 4.28Å; V662-L668 HydrophobicContact CG2-CG 4.32Å; A665-L668 PolarHBondContact O-N 3.23Å; R666-L668 PolarHBondContact O-N 3.43Å; L668-M673 HydrophobicContact CB-CG 3.92Å; L668-M673 HydrophobicContact CD1-CG 4.24Å
669S74.9Confident79.1Confident36 Ų3647.1 Ų47.125%0.25227%0.268SS..  trans-71149.1169.463.20000111.2Q642 G671 I672 M673Q642-S669 PolarHBondContact OE1-OG 2.95Å; S669-G671 PolarHBondContact O-N 2.92Å; S669-I672 PolarHBondContact O-N 3.18Å; S669-I672 VanDerWaalsContact O-N 3.11Å; S669-I672 WeakPolarHBondContact OG-CG1 3.39Å; S669-M673 PolarHBondContact O-N 3.32Å; S669-M673 VanDerWaalsContact O-N 3.14Å
670M73.1Confident79.1Confident150 Ų15047.4 Ų47.474%0.73927%0.27SS*.Hα-helixtrans-56.8-33.6179.6-66.7-64.2-64.900112.7M673 G674M670-M673 HydrophobicContact CE-CE 4.06Å; M670-M673 HydrophobicContact CG-CE 4.45Å; M670-M673 PolarHBondContact O-N 2.8Å; M670-M673 HydrophobicContact SD-CE 3.2Å; M670-M673 WeakPolarHBondContact SD-CE 3.03Å; M670-G674 PolarHBondContact O-N 2.77Å
671G73.4Confident78.9Confident54 Ų5449.8 Ų49.856%0.55729%0.29SS*.Hα-helixtrans-65-37.3178.300000113.4S669 A675S669-G671 PolarHBondContact O-N 2.92Å; G671-A675 PolarHBondContact O-N 2.98Å
672I77.8Confident78.7Confident1 Ų150.1 Ų50.11%0.00529%0.291CS..Hα-helixtrans-75.1-39.9176.8-65.1174.9000110.4L625 L629 Q642 S669 G674 A675 F676L625-I672 HydrophobicContact CD2-CG2 3.89Å; L629-I672 HydrophobicContact CD1-CD1 3.4Å; L629-I672 VanDerWaalsContact CD1-CD1 3.4Å; L629-I672 HydrophobicContact CD2-CD1 3.44Å; L629-I672 VanDerWaalsContact CD2-CD1 3.44Å; L629-I672 HydrophobicContact CG-CD1 4.07Å; Q642-I672 HydrophobicContact CB-CD1 3.96Å; Q642-I672 HydrophobicContact CB-CG1 4.44Å; Q642-I672 HydrophobicContact CG-CD1 4.02Å; S669-I672 PolarHBondContact O-N 3.18Å; S669-I672 VanDerWaalsContact O-N 3.11Å; S669-I672 WeakPolarHBondContact OG-CG1 3.39Å; I672-G674 VanDerWaalsContact C-N 3.25Å; I672-G674 PolarHBondContact O-N 3.42Å; I672-A675 WeakPolarHBondContact O-CB 3.39Å; I672-A675 PolarHBondContact O-N 3.49Å; I672-F676 HydrophobicContact CG2-CD2 4.27Å; I672-F676 HydrophobicContact CG2-CE2 3.82Å; I672-F676 VanDerWaalsContact O-CD2 3.25Å; I672-F676 WeakPolarHBondContact O-CD2 3.43Å
673M79.4Confident78.3Confident34 Ų3457.9 Ų57.917%0.16733%0.328CS..Hα-helixtrans-60.7-36.9175.9-66.3-160.8-54.900112.2L668 S669 M670 A675 F676 Q679L668-M673 HydrophobicContact CB-CG 3.92Å; L668-M673 HydrophobicContact CD1-CG 4.24Å; S669-M673 PolarHBondContact O-N 3.32Å; S669-M673 VanDerWaalsContact O-N 3.14Å; M670-M673 HydrophobicContact CE-CE 4.06Å; M670-M673 HydrophobicContact CG-CE 4.45Å; M670-M673 PolarHBondContact O-N 2.8Å; M670-M673 HydrophobicContact SD-CE 3.2Å; M670-M673 WeakPolarHBondContact SD-CE 3.03Å; M673-A675 VanDerWaalsContact C-N 3.3Å; M673-A675 PolarHBondContact O-N 3.19Å; M673-F676 PolarHBondContact O-N 3.5Å; M673-Q679 PolarHBondContact O-NE2 3.44Å
674G77.4Confident78.3Confident66 Ų6660.6 Ų60.668%0.6835%0.346SS*.Hα-helixtrans-70.6-20.8174.800000114.5M670 I672 F676M670-G674 PolarHBondContact O-N 2.77Å; I672-G674 VanDerWaalsContact C-N 3.25Å; I672-G674 PolarHBondContact O-N 3.42Å; G674-F676 VanDerWaalsContact C-N 3.31Å
675A80.2Confident78.7Confident29 Ų2955.5 Ų55.524%0.2433%0.329CS..Hα-helixtrans-77.4-16.9175.500000113.2T557 L649 G671 I672 M673T557-A675 PolarHBondContact OG1-O 3.35Å; T557-A675 VanDerWaalsContact OG1-O 3.12Å; L649-A675 HydrophobicContact CD1-CB 3.89Å; G671-A675 PolarHBondContact O-N 2.98Å; I672-A675 WeakPolarHBondContact O-CB 3.39Å; I672-A675 PolarHBondContact O-N 3.49Å; M673-A675 VanDerWaalsContact C-N 3.3Å; M673-A675 PolarHBondContact O-N 3.19Å
676F84.6Confident79.3Confident5 Ų557.3 Ų57.32%0.02234%0.337CS..  trans-96115.9173.8-70.6-80.2000110.4T557 L559 L625 L649 A660 I672 M673 G674T557-F676 WeakPolarHBondContact OG1-CA 3.25Å; L559-F676 HydrophobicContact CB-CB 3.78Å; L559-F676 HydrophobicContact CB-CD1 4.07Å; L559-F676 HydrophobicContact CB-CD2 4.2Å; L559-F676 HydrophobicContact CB-CG 3.76Å; L559-F676 HydrophobicContact CD1-CD2 4.2Å; L559-F676 HydrophobicContact CD1-CE2 4.26Å; L559-F676 HydrophobicContact CD2-CD2 4.37Å; L625-F676 HydrophobicContact CD1-CZ 4.36Å; L649-F676 HydrophobicContact CD1-CE1 4.36Å; L649-F676 HydrophobicContact CD1-CE2 4.15Å; L649-F676 HydrophobicContact CD1-CZ 3.93Å; L649-F676 HydrophobicContact CD2-CE1 4.31Å; L649-F676 HydrophobicContact CD2-CZ 4.45Å; A660-F676 HydrophobicContact CB-CD1 4.48Å; A660-F676 HydrophobicContact CB-CE1 3.52Å; A660-F676 HydrophobicContact CB-CE2 4.27Å; A660-F676 HydrophobicContact CB-CZ 3.4Å; A660-F676 VanDerWaalsContact CB-CZ 3.4Å; I672-F676 HydrophobicContact CG2-CD2 4.27Å; I672-F676 HydrophobicContact CG2-CE2 3.82Å; I672-F676 VanDerWaalsContact O-CD2 3.25Å; I672-F676 WeakPolarHBondContact O-CD2 3.43Å; M673-F676 PolarHBondContact O-N 3.5Å; G674-F676 VanDerWaalsContact C-N 3.31Å
677V83.9Confident80Confident90 Ų9055.1 Ų55.155%0.54533%0.333SS..SBendtrans-68.8-39.9-176.5179.80000111.3T557T557-V677 PolarHBondContact O-N 2.89Å; T557-V677 PolarHBondContact OG1-N 3.42Å
678H85.9Confident80.7Confident50 Ų5060.8 Ų60.823%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-114.4130.7-178.8-59.4-55.9000111.4L537 H541 T557 V558 L559L537-H678 HydrophobicContact CD1-CB 4.27Å; H541-H678 AromaticContact NE2-NE2 3.89Å; T557-H678 PolarHBondContact O-N 3.33Å; T557-H678 VanDerWaalsContact O-N 3.07Å; V558-H678 CarbonylContact C-O 3.54Å; V558-H678 WeakPolarHBondContact CA-O 3.42Å; V558-H678 HydrophobicContact CG1-CB 4.43Å; V558-H678 HydrophobicContact CG2-CB 4.23Å; L559-H678 PolarHBondContact N-O 2.87Å
679Q85.9Confident81.3Confident107 Ų10762.2 Ų62.250%0.536%0.364SS..EExtended strand (participates in β ladder)trans-114.8123.5175.8-60.8-177.510.400109.1L559 M673L559-Q679 HydrophobicContact CB-CG 4.49Å; M673-Q679 PolarHBondContact O-NE2 3.44Å
680V87.4Confident81.9Confident9 Ų961.6 Ų61.66%0.05536%0.356CS..EExtended strand (participates in β ladder)trans-120114.9-179.4-179.20000109L533 L534 L537 V558 L559 L560 H561L533-V680 HydrophobicContact CD2-CB 4.39Å; L533-V680 HydrophobicContact CD2-CG1 3.81Å; L533-V680 HydrophobicContact CD2-CG2 3.65Å; L534-V680 HydrophobicContact CD2-CG2 4.07Å; L537-V680 HydrophobicContact CD1-CG2 3.8Å; V558-V680 HydrophobicContact CG1-CG2 3.99Å; L559-V680 PolarHBondContact O-N 3.27Å; L560-V680 WeakPolarHBondContact CA-O 3.49Å; L560-V680 HydrophobicContact CD2-CB 4.42Å; L560-V680 HydrophobicContact CD2-CG1 4.25Å; L560-V680 HydrophobicContact CG-CB 4.28Å; H561-V680 PolarHBondContact N-O 2.92Å; H561-V680 VanDerWaalsContact N-O 3.08Å
681A84.1Confident82.7Confident49 Ų4957 Ų5741%0.40534%0.335SS..EExtended strand (participates in β ladder)trans-84.1126.7174.800000110.3H561H561-A681 WeakPolarHBondContact CE1-CB 3.48Å
682M83Confident83.2Confident10 Ų1055.9 Ų55.95%0.04932%0.32CS..  trans-97.4107.4163.7-67.4-168.47200108.8L527 L560 H561 G562 P563 S566 K568 V571L527-M682 HydrophobicContact CD2-CE 3.82Å; L560-M682 HydrophobicContact CD2-CG 4.2Å; L560-M682 HydrophobicContact CD2-SD 4.09Å; H561-M682 PolarHBondContact O-N 3.17Å; G562-M682 WeakPolarHBondContact CA-O 3.36Å; P563-M682 WeakPolarHBondContact CD-O 3.01Å; S566-M682 VanDerWaalsContact O-CE 3.24Å; S566-M682 WeakPolarHBondContact O-CE 3.48Å; K568-M682 HydrophobicContact CB-SD 4.21Å; K568-M682 HydrophobicContact CG-SD 3.71Å; V571-M682 HydrophobicContact CG2-CE 3.66Å; V571-M682 HydrophobicContact CG2-SD 4.16Å
683E77.6Confident83.7Confident164 Ų16456 Ų5677%0.76632%0.32SS*.PPolyproline II helixtrans-79.8173.6175.9-64.3-179.9175.600111.8
684S76.7Confident84.1Confident81 Ų8154.4 Ų54.457%0.56631%0.313SS*.PPolyproline II helixtrans-63.8140.1172.446.50000110.3
685P83.3Confident84.5Confident16 Ų1653.8 Ų53.810%0.10430%0.296CS..PPolyproline II helixtrans-70.5137.6-175.328.7-34.8000111.8Q689 R690 M693 F719P685-Q689 HydrophobicContact CB-CB 4.08Å; P685-R690 HydrophobicContact CB-CG 3.79Å; P685-R690 HydrophobicContact CG-CG 3.6Å; P685-R690 PolarHBondContact O-NE 3.49Å; P685-M693 HydrophobicContact CB-CE 3.77Å; P685-M693 HydrophobicContact CB-SD 4.4Å; P685-F719 VanDerWaalsContact CG-O 3.24Å; P685-F719 WeakPolarHBondContact CG-O 3.41Å
686T84.5Confident84.5Confident70 Ų7052.7 Ų52.743%0.42929%0.287SS..PPolyproline II helixtrans-65166.2174.767.10000111.6E688 Q689 R690T686-E688 VanDerWaalsContact C-N 3.33Å; T686-E688 PolarHBondContact O-N 3.21Å; T686-Q689 PolarHBondContact O-N 3.4Å; T686-Q689 VanDerWaalsContact OG1-CG 3.26Å; T686-Q689 WeakPolarHBondContact OG1-CG 3.48Å; T686-Q689 PolarHBondContact OG1-N 3.32Å; T686-R690 WeakPolarHBondContact O-CG 3.16Å; T686-R690 PolarHBondContact O-N 2.93Å
687E82.9Confident84.4Confident85 Ų8553.6 Ų53.640%0.39729%0.292SS..Hα-helixtrans-55.5-46.8177.2-174.1179.8165.100112.3Q689 R690 L691 K714E687-Q689 VanDerWaalsContact C-N 3.33Å; E687-Q689 PolarHBondContact O-N 3.44Å; E687-R690 PolarHBondContact O-N 3.42Å; E687-L691 PolarHBondContact O-N 3.37Å; E687-K714 WeakPolarHBondContact OE1-CE 3.23Å; E687-K714 WeakPolarHBondContact OE1-CG 3.31Å
688E84.7Confident84.2Confident157 Ų15749.9 Ų49.973%0.73427%0.27SS*.Hα-helixtrans-60.8-41.3176.6-61.9177.9175.600112.3T686 L691 A692T686-E688 VanDerWaalsContact C-N 3.33Å; T686-E688 PolarHBondContact O-N 3.21Å; E688-L691 PolarHBondContact O-N 3.17Å; E688-A692 WeakPolarHBondContact O-CB 3.42Å; E688-A692 PolarHBondContact O-N 3.12Å
689Q86.4Confident83.7Confident44 Ų4456.3 Ų56.321%0.20629%0.293CS..Hα-helixtrans-66.2-41.2177.4-72.3173.1-1400111.1G526 P685 T686 E687 A692 M693G526-Q689 WeakPolarHBondContact O-CG 3.12Å; P685-Q689 HydrophobicContact CB-CB 4.08Å; T686-Q689 PolarHBondContact O-N 3.4Å; T686-Q689 VanDerWaalsContact OG1-CG 3.26Å; T686-Q689 WeakPolarHBondContact OG1-CG 3.48Å; T686-Q689 PolarHBondContact OG1-N 3.32Å; E687-Q689 VanDerWaalsContact C-N 3.33Å; E687-Q689 PolarHBondContact O-N 3.44Å; Q689-A692 PolarHBondContact O-N 3.47Å; Q689-M693 HydrophobicContact CB-CE 4.3Å; Q689-M693 VanDerWaalsContact O-CG 3.23Å; Q689-M693 WeakPolarHBondContact O-CG 3.39Å; Q689-M693 PolarHBondContact O-N 2.77Å
690R88.1Confident82.9Confident22 Ų2257 Ų578%0.08330%0.296CS..Hα-helixtrans-65.4-41.4176.6-73.4-175.9-76.51367.4111.8P685 T686 E687 M693 L694 S713 T716 L724P685-R690 HydrophobicContact CB-CG 3.79Å; P685-R690 HydrophobicContact CG-CG 3.6Å; P685-R690 PolarHBondContact O-NE 3.49Å; T686-R690 WeakPolarHBondContact O-CG 3.16Å; T686-R690 PolarHBondContact O-N 2.93Å; E687-R690 PolarHBondContact O-N 3.42Å; R690-M693 PolarHBondContact O-N 3.34Å; R690-L694 WeakPolarHBondContact O-CB 3.46Å; R690-L694 WeakPolarHBondContact O-CG 3.46Å; R690-L694 PolarHBondContact O-N 3.23Å; R690-S713 PolarHBondContact NH1-O 3.45Å; R690-S713 PolarHBondContact NH2-O 2.82Å; R690-T716 PolarHBondContact NH1-O 2.97Å; R690-T716 PolarHBondContact NH1-OG1 3.34Å; R690-L724 HydrophobicContact CB-CD1 4.43Å; R690-L724 HydrophobicContact CG-CD1 4.32Å
691L88.6Confident82.2Confident54 Ų5459.7 Ų59.728%0.28331%0.31SS..Hα-helixtrans-58.9-48.7172.6-177.9149.5000110.9E687 E688 M693 L694 V695 E710E687-L691 PolarHBondContact O-N 3.37Å; E688-L691 PolarHBondContact O-N 3.17Å; L691-M693 VanDerWaalsContact C-N 3.29Å; L691-M693 PolarHBondContact O-N 2.94Å; L691-L694 PolarHBondContact O-N 3.33Å; L691-V695 HydrophobicContact CD2-CG2 3.94Å; L691-V695 HydrophobicContact CG-CG2 4.44Å; L691-V695 VanDerWaalsContact O-CG2 3.31Å; L691-V695 WeakPolarHBondContact O-CG2 3.43Å; L691-V695 PolarHBondContact O-N 2.88Å; L691-E710 HydrophobicContact CD1-CB 4.26Å; L691-E710 HydrophobicContact CD1-CG 3.49Å; L691-E710 VanDerWaalsContact CD1-CG 3.49Å
692A85.6Confident81.7Confident31 Ų3159 Ų5926%0.25630%0.301SS..Hα-helixtrans-60-39.3177.200000112.1S525 E688 Q689 G696S525-A692 VanDerWaalsContact CB-O 3.23Å; S525-A692 WeakPolarHBondContact CB-O 3.4Å; S525-A692 PolarHBondContact OG-O 2.78Å; E688-A692 WeakPolarHBondContact O-CB 3.42Å; E688-A692 PolarHBondContact O-N 3.12Å; Q689-A692 PolarHBondContact O-N 3.47Å; A692-G696 PolarHBondContact O-N 2.93Å
693M87.4Confident81.6Confident2 Ų261 Ų611%0.0131%0.312CS..Hα-helixtrans-64.7-43.7175-68.6176.5-159.900112.3W519 S525 L527 P685 Q689 R690 L691 G696 L697 L721 L724W519-M693 HydrophobicContact CH2-CB 4.11Å; W519-M693 HydrophobicContact CH2-CG 3.95Å; S525-M693 VanDerWaalsContact O-CG 3.28Å; S525-M693 WeakPolarHBondContact O-CG 3.37Å; L527-M693 HydrophobicContact CD2-CE 3.68Å; L527-M693 HydrophobicContact CG-CE 3.89Å; P685-M693 HydrophobicContact CB-CE 3.77Å; P685-M693 HydrophobicContact CB-SD 4.4Å; Q689-M693 HydrophobicContact CB-CE 4.3Å; Q689-M693 VanDerWaalsContact O-CG 3.23Å; Q689-M693 WeakPolarHBondContact O-CG 3.39Å; Q689-M693 PolarHBondContact O-N 2.77Å; R690-M693 PolarHBondContact O-N 3.34Å; L691-M693 VanDerWaalsContact C-N 3.29Å; L691-M693 PolarHBondContact O-N 2.94Å; M693-G696 PolarHBondContact O-N 3.48Å; M693-L697 WeakPolarHBondContact O-CD1 3.36Å; M693-L697 WeakPolarHBondContact O-CG 3.49Å; M693-L697 PolarHBondContact O-N 3.26Å; M693-L721 HydrophobicContact CB-CD1 4.29Å; M693-L721 HydrophobicContact CG-CD1 4.17Å; M693-L721 HydrophobicContact SD-CB 4.08Å; M693-L721 HydrophobicContact SD-CD1 3.97Å; M693-L724 HydrophobicContact CB-CD1 3.83Å; M693-L724 HydrophobicContact SD-CD1 4.03Å
694L87.6Confident81.4Confident2 Ų253.7 Ų53.71%0.0128%0.28CS..Hα-helixtrans-65.4-43.7177.6-77.3173000112R690 L691 G696 L697 S698 L709 L712 L724R690-L694 WeakPolarHBondContact O-CB 3.46Å; R690-L694 WeakPolarHBondContact O-CG 3.46Å; R690-L694 PolarHBondContact O-N 3.23Å; L691-L694 PolarHBondContact O-N 3.33Å; L694-G696 VanDerWaalsContact C-N 3.28Å; L694-G696 PolarHBondContact O-N 3.08Å; L694-L697 PolarHBondContact O-N 3.43Å; L694-S698 VanDerWaalsContact O-CB 3.24Å; L694-S698 WeakPolarHBondContact O-CB 3.06Å; L694-S698 PolarHBondContact O-N 3.12Å; L694-S698 PolarHBondContact O-OG 2.83Å; L694-L709 HydrophobicContact CB-CD2 4.48Å; L694-L712 HydrophobicContact CD1-CB 4.12Å; L694-L724 HydrophobicContact CD2-CB 4.48Å; L694-L724 HydrophobicContact CD2-CD2 4.08Å; L694-L724 HydrophobicContact CG-CD2 4.29Å
695V86.1Confident81.2Confident52 Ų5255.6 Ų55.632%0.31528%0.275SS..Hα-helixtrans-60.9-40.3172.9172.70000110.5L691 S698 R699 L709L691-V695 HydrophobicContact CD2-CG2 3.94Å; L691-V695 HydrophobicContact CG-CG2 4.44Å; L691-V695 VanDerWaalsContact O-CG2 3.31Å; L691-V695 WeakPolarHBondContact O-CG2 3.43Å; L691-V695 PolarHBondContact O-N 2.88Å; V695-S698 WeakPolarHBondContact CA-OG 3.41Å; V695-S698 PolarHBondContact O-OG 3.5Å; V695-R699 WeakPolarHBondContact O-CG 3.49Å; V695-L709 HydrophobicContact CG2-CD1 3.72Å
696G81.1Confident81Confident6 Ų659.6 Ų59.66%0.06230%0.295CS..Hα-helixtrans-59.5-55173.300000112L518 A692 M693 L694 S698L518-G696 WeakPolarHBondContact CD1-O 3.22Å; A692-G696 PolarHBondContact O-N 2.93Å; M693-G696 PolarHBondContact O-N 3.48Å; L694-G696 VanDerWaalsContact C-N 3.28Å; L694-G696 PolarHBondContact O-N 3.08Å; G696-S698 VanDerWaalsContact C-N 3.34Å; G696-S698 PolarHBondContact O-N 3.3Å
697L82.5Confident80.9Confident24 Ų2457.1 Ų57.113%0.12628%0.28CS..Hα-helixtrans-67.4-32.6-176.4-71.3152.9000113.8W519 M693 L694 R699 L721 L724 L728W519-L697 HydrophobicContact CZ2-CD1 4.08Å; W519-L697 HydrophobicContact CZ2-CD2 3.99Å; W519-L697 HydrophobicContact CZ2-CG 3.66Å; M693-L697 WeakPolarHBondContact O-CD1 3.36Å; M693-L697 WeakPolarHBondContact O-CG 3.49Å; M693-L697 PolarHBondContact O-N 3.26Å; L694-L697 PolarHBondContact O-N 3.43Å; L697-R699 VanDerWaalsContact C-N 3.31Å; L697-R699 PolarHBondContact O-N 3.1Å; L697-L721 HydrophobicContact CD1-CD1 4.32Å; L697-L724 HydrophobicContact CD1-CB 4.02Å; L697-L728 HydrophobicContact CB-CD1 3.12Å; L697-L728 HydrophobicContact CD1-CD1 3.85Å; L697-L728 HydrophobicContact CD2-CD1 4.38Å; L697-L728 HydrophobicContact CG-CD1 3.93Å
698S79.8Confident81Confident13 Ų1357 Ų579%0.09128%0.282CS..Hα-helixtrans-75-15.4-175.851.30000114.3L694 V695 G696 E700 L701 L703L694-S698 VanDerWaalsContact O-CB 3.24Å; L694-S698 WeakPolarHBondContact O-CB 3.06Å; L694-S698 PolarHBondContact O-N 3.12Å; L694-S698 PolarHBondContact O-OG 2.83Å; V695-S698 WeakPolarHBondContact CA-OG 3.41Å; V695-S698 PolarHBondContact O-OG 3.5Å; G696-S698 VanDerWaalsContact C-N 3.34Å; G696-S698 PolarHBondContact O-N 3.3Å; S698-E700 PolarHBondContact O-N 3.25Å; S698-L701 PolarHBondContact O-N 3.31Å; S698-L701 VanDerWaalsContact O-O 3.06Å; S698-L703 VanDerWaalsContact CB-CD1 3.47Å
699R75Confident81.2Confident185 Ų18551 Ų5170%0.69826%0.255SS*.THydrogen-bonded Turntrans-58.4-29.5177.5-76.4174-176.4-169.5-1.8113.8L518 V695 L697 L701L518-R699 HydrophobicContact CD1-CB 3.75Å; V695-R699 WeakPolarHBondContact O-CG 3.49Å; L697-R699 VanDerWaalsContact C-N 3.31Å; L697-R699 PolarHBondContact O-N 3.1Å; R699-L701 VanDerWaalsContact C-N 3.34Å
700E67.6Low81.2Confident120 Ų12054.4 Ų54.456%0.56127%0.271SS*.THydrogen-bonded Turntrans-85.7-8.2178.2-71.4171.7-157.400112.6L518 S698L518-E700 HydrophobicContact CD1-CG 3.76Å; L518-E700 WeakPolarHBondContact CD1-OE1 3.26Å; L518-E700 HydrophobicContact CG-CG 4.42Å; L518-E700 VanDerWaalsContact CG-OE1 3.25Å; L518-E700 WeakPolarHBondContact CG-OE1 3.03Å; L518-E700 PolarHBondContact N-OE1 3.26Å; S698-E700 PolarHBondContact O-N 3.25Å
701L74.2Confident81.1Confident67 Ų6760.8 Ų60.835%0.35130%0.295SS..SBendtrans-113.9148.1-171.2-63.5171000112S698 R699 L703 L728 I758S698-L701 PolarHBondContact O-N 3.31Å; S698-L701 VanDerWaalsContact O-O 3.06Å; R699-L701 VanDerWaalsContact C-N 3.34Å; L701-L703 PolarHBondContact O-N 2.77Å; L701-L728 HydrophobicContact CD1-CB 3.81Å; L701-L728 HydrophobicContact CD1-CD1 4.11Å; L701-L728 HydrophobicContact CD1-CD2 3.74Å; L701-L728 HydrophobicContact CD1-CG 4.11Å; L701-I758 HydrophobicContact CB-CD1 4.47Å; L701-I758 HydrophobicContact CD1-CD1 4.37Å; L701-I758 HydrophobicContact CD2-CD1 4.44Å
702C74.1Confident80.9Confident34 Ų3458.4 Ų58.423%0.2328%0.283CS..  trans-87.293.7176.8-56.90000109.4K193 I758K193-C702 WeakPolarHBondContact CE-SG 3.37Å; K193-C702 PolarHBondContact NZ-SG 3.08Å; C702-I758 PolarHBondContact O-N 2.84Å
703L80.6Confident80.9Confident53 Ų5356.9 Ų56.928%0.27727%0.27SS..BIsolated β-bridgetrans-84.6138.5176.5-62.3-178.3000111.4S698 L701 V707 L709 I758 F763S698-L703 VanDerWaalsContact CB-CD1 3.47Å; L701-L703 PolarHBondContact O-N 2.77Å; L703-V707 HydrophobicContact CD1-CG1 4.46Å; L703-V707 HydrophobicContact CD2-CG1 4.48Å; L703-L709 HydrophobicContact CD1-CD2 4.09Å; L703-I758 HydrophobicContact CD2-CB 4.45Å; L703-F763 HydrophobicContact CD2-CE2 3.82Å; L703-F763 HydrophobicContact CD2-CZ 3.78Å
704G72.8Confident80.7Confident9 Ų963 Ų639%0.09330%0.297CS..  trans-72.1158.5167.700000112.2D706 V707 I758G704-D706 PolarHBondContact O-N 3.29Å; G704-V707 PolarHBondContact O-N 3.31Å; G704-I758 PolarHBondContact N-O 3.21Å
705R72.1Confident80.3Confident122 Ų12267 Ų6746%0.4632%0.318SS..THydrogen-bonded Turntrans-64-22.2-179.6-64.7-176178.4-164-4.4113.6E188 V707E188-R705 WeakPolarHBondContact OE2-CD 3.29Å; E188-R705 IonicContact OE2-NE 3.58Å; R705-V707 PolarHBondContact O-N 3.35Å
706D78.8Confident80Confident99 Ų9964.5 Ų64.553%0.52930%0.303SS..THydrogen-bonded Turntrans-72-8.9179-60.3-27.7000113.9G704 N708 N760G704-D706 PolarHBondContact O-N 3.29Å; D706-N708 PolarHBondContact O-N 2.75Å; D706-N760 HydrophobicContact CB-CB 4.39Å; D706-N760 PolarHBondContact O-ND2 3.32Å
707V82.6Confident79.7Confident19 Ų1966.4 Ų66.412%0.11532%0.318CS..  trans-89.4109.5-174.8-177.20000110.3L703 G704 R705 L709 L712 F763L703-V707 HydrophobicContact CD1-CG1 4.46Å; L703-V707 HydrophobicContact CD2-CG1 4.48Å; G704-V707 PolarHBondContact O-N 3.31Å; R705-V707 PolarHBondContact O-N 3.35Å; V707-L709 HydrophobicContact CG1-CD2 4.24Å; V707-L712 HydrophobicContact CG1-CD1 3.79Å; V707-F763 HydrophobicContact CB-CE2 4.49Å; V707-F763 HydrophobicContact CG1-CD2 4.01Å; V707-F763 HydrophobicContact CG1-CE2 3.69Å; V707-F763 HydrophobicContact CG1-CZ 4.39Å; V707-F763 HydrophobicContact CG2-CD2 4.05Å; V707-F763 HydrophobicContact CG2-CE2 3.91Å
708N86.4Confident79.2Confident81 Ų8167.3 Ų67.343%0.43333%0.333SS..  trans-98110.4171.4-173-21.7000110.9D706 E710 R711 L712D706-N708 PolarHBondContact O-N 2.75Å; N708-E710 VanDerWaalsContact C-N 3.33Å; N708-E710 PolarHBondContact O-N 3.42Å; N708-E710 WeakPolarHBondContact OD1-CB 3.37Å; N708-E710 PolarHBondContact OD1-N 3.34Å; N708-R711 HydrophobicContact CB-CB 4.23Å; N708-R711 PolarHBondContact O-N 2.92Å; N708-R711 PolarHBondContact OD1-N 3.36Å; N708-L712 PolarHBondContact O-N 3.33Å
709L87.4Confident79.4Confident33 Ų3366.9 Ų66.917%0.17333%0.329CS..Hα-helixtrans-66.9-29.4-179.3-62.5178.9000113.5L694 V695 L703 V707 L712 S713L694-L709 HydrophobicContact CB-CD2 4.48Å; V695-L709 HydrophobicContact CG2-CD1 3.72Å; L703-L709 HydrophobicContact CD1-CD2 4.09Å; V707-L709 HydrophobicContact CG1-CD2 4.24Å; L709-L712 HydrophobicContact CD2-CD1 4.25Å; L709-L712 PolarHBondContact O-N 2.66Å; L709-S713 PolarHBondContact O-N 3.39Å; L709-S713 PolarHBondContact O-OG 3.49Å
710E86.8Confident79.9Confident115 Ų11558.6 Ų58.654%0.53730%0.3SS..Hα-helixtrans-67.5-39.5175.4-67.2176-178.500111.5L691 N708 L712 S713 K714L691-E710 HydrophobicContact CD1-CB 4.26Å; L691-E710 HydrophobicContact CD1-CG 3.49Å; L691-E710 VanDerWaalsContact CD1-CG 3.49Å; N708-E710 VanDerWaalsContact C-N 3.33Å; N708-E710 PolarHBondContact O-N 3.42Å; N708-E710 WeakPolarHBondContact OD1-CB 3.37Å; N708-E710 PolarHBondContact OD1-N 3.34Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-S713 WeakPolarHBondContact CA-OG 3.38Å; E710-S713 PolarHBondContact O-N 3.49Å; E710-S713 PolarHBondContact O-OG 3.04Å; E710-K714 PolarHBondContact O-N 2.96Å
711R85.3Confident80.8Confident155 Ų15553.5 Ų53.559%0.58528%0.276SS*.Hα-helixtrans-65.5-40.4174.5-172.1177177.4-176.1-1.9110.6N708 K714 L715N708-R711 HydrophobicContact CB-CB 4.23Å; N708-R711 PolarHBondContact O-N 2.92Å; N708-R711 PolarHBondContact OD1-N 3.36Å; R711-K714 PolarHBondContact O-N 2.67Å; R711-L715 HydrophobicContact CG-CD1 4.23Å; R711-L715 WeakPolarHBondContact O-CG 3.45Å; R711-L715 PolarHBondContact O-N 3.11Å; R711-L715 VanDerWaalsContact O-N 3.13Å
712L86.3Confident81.3Confident4 Ų451.4 Ų51.42%0.02127%0.271CS..Hα-helixtrans-66.3-35.8176.9-68.7174.5000112.6L694 V707 N708 L709 E710 K714 L715 T716 F763 L767L694-L712 HydrophobicContact CD1-CB 4.12Å; V707-L712 HydrophobicContact CG1-CD1 3.79Å; N708-L712 PolarHBondContact O-N 3.33Å; L709-L712 HydrophobicContact CD2-CD1 4.25Å; L709-L712 PolarHBondContact O-N 2.66Å; E710-L712 VanDerWaalsContact C-N 3.31Å; L712-K714 VanDerWaalsContact C-N 3.28Å; L712-K714 PolarHBondContact O-N 3.2Å; L712-L715 PolarHBondContact O-N 2.96Å; L712-T716 WeakPolarHBondContact O-CB 3.19Å; L712-T716 VanDerWaalsContact O-CG2 3.26Å; L712-T716 WeakPolarHBondContact O-CG2 3.45Å; L712-T716 PolarHBondContact O-N 3.03Å; L712-T716 VanDerWaalsContact O-N 3.07Å; L712-T716 PolarHBondContact O-OG1 3.09Å; L712-F763 HydrophobicContact CD1-CD1 3.92Å; L712-F763 HydrophobicContact CD1-CD2 4.27Å; L712-F763 HydrophobicContact CD1-CE1 4.13Å; L712-F763 HydrophobicContact CD1-CE2 4.47Å; L712-F763 HydrophobicContact CD1-CG 4Å; L712-F763 HydrophobicContact CD1-CZ 4.41Å; L712-F763 HydrophobicContact CD2-CB 4.06Å; L712-F763 HydrophobicContact CD2-CD1 4.44Å; L712-F763 HydrophobicContact CD2-CG 4.35Å; L712-L767 HydrophobicContact CD2-CD1 4.08Å
713S85.4Confident81.9Confident0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-65.3-31.7174.1590000112.2R690 L709 E710 T716R690-S713 PolarHBondContact NH1-O 3.45Å; R690-S713 PolarHBondContact NH2-O 2.82Å; L709-S713 PolarHBondContact O-N 3.39Å; L709-S713 PolarHBondContact O-OG 3.49Å; E710-S713 WeakPolarHBondContact CA-OG 3.38Å; E710-S713 PolarHBondContact O-N 3.49Å; E710-S713 PolarHBondContact O-OG 3.04Å; S713-T716 PolarHBondContact O-OG1 3.04Å
714K81.5Confident82.3Confident131 Ų13149.5 Ų49.557%0.5726%0.258SS*.Hα-helixtrans-69.4-46.1173.2-68.7177.2-177.71790112.3E687 E710 R711 L712 T716E687-K714 WeakPolarHBondContact OE1-CE 3.23Å; E687-K714 WeakPolarHBondContact OE1-CG 3.31Å; E710-K714 PolarHBondContact O-N 2.96Å; R711-K714 PolarHBondContact O-N 2.67Å; L712-K714 VanDerWaalsContact C-N 3.28Å; L712-K714 PolarHBondContact O-N 3.2Å; K714-T716 VanDerWaalsContact C-N 3.31Å; K714-T716 PolarHBondContact O-N 3.09Å
715L79.3Confident83Confident85 Ų8551.3 Ų51.345%0.44527%0.27SS..Hα-helixtrans-69.9-24.5-176.4-67.3172.9000114R711 L712 A717 L767R711-L715 HydrophobicContact CG-CD1 4.23Å; R711-L715 WeakPolarHBondContact O-CG 3.45Å; R711-L715 PolarHBondContact O-N 3.11Å; R711-L715 VanDerWaalsContact O-N 3.13Å; L712-L715 PolarHBondContact O-N 2.96Å; L715-A717 PolarHBondContact O-N 3.47Å; L715-L767 HydrophobicContact CB-CD1 4.3Å; L715-L767 HydrophobicContact CD1-CD1 4.33Å
716T80.6Confident83.8Confident0 Ų047 Ų470%026%0.26CS..THydrogen-bonded Turntrans-88.332.6-177.550.70000113.3R690 L712 S713 K714 G718 F719 L724 L727 L767R690-T716 PolarHBondContact NH1-O 2.97Å; R690-T716 PolarHBondContact NH1-OG1 3.34Å; L712-T716 WeakPolarHBondContact O-CB 3.19Å; L712-T716 VanDerWaalsContact O-CG2 3.26Å; L712-T716 WeakPolarHBondContact O-CG2 3.45Å; L712-T716 PolarHBondContact O-N 3.03Å; L712-T716 VanDerWaalsContact O-N 3.07Å; L712-T716 PolarHBondContact O-OG1 3.09Å; S713-T716 PolarHBondContact O-OG1 3.04Å; K714-T716 VanDerWaalsContact C-N 3.31Å; K714-T716 PolarHBondContact O-N 3.09Å; T716-G718 PolarHBondContact O-N 2.73Å; T716-F719 HydrophobicContact CG2-CD2 3.86Å; T716-F719 HydrophobicContact CG2-CE2 4.19Å; T716-F719 HydrophobicContact CG2-CG 4.35Å; T716-F719 VanDerWaalsContact O-CB 3.28Å; T716-F719 WeakPolarHBondContact O-CB 3.44Å; T716-F719 PolarHBondContact O-N 3.31Å; T716-L724 HydrophobicContact CG2-CD2 4.13Å; T716-L727 HydrophobicContact CG2-CD2 3.67Å; T716-L767 HydrophobicContact CG2-CD2 3.66Å
717A74.1Confident84.3Confident46 Ų4642.3 Ų42.338%0.3824%0.235SC..THydrogen-bonded Turntrans-55.1131.7-177.900000110.7L715 F719L715-A717 PolarHBondContact O-N 3.47Å; A717-F719 VanDerWaalsContact C-N 3.26Å; A717-F719 PolarHBondContact O-N 3.11Å
718G73.4Confident84.6Confident43 Ų4342 Ų4244%0.44323%0.232SC..THydrogen-bonded Turntrans79.3-6.4-176.900000115.8T716T716-G718 PolarHBondContact O-N 2.73Å
719F82.3Confident84.7Confident3 Ų341.6 Ų41.61%0.01323%0.233CC..  trans-72.5135.5179.2-77.728000111P685 T716 A717 D723 L724 L767 L770 Q771P685-F719 VanDerWaalsContact CG-O 3.24Å; P685-F719 WeakPolarHBondContact CG-O 3.41Å; T716-F719 HydrophobicContact CG2-CD2 3.86Å; T716-F719 HydrophobicContact CG2-CE2 4.19Å; T716-F719 HydrophobicContact CG2-CG 4.35Å; T716-F719 VanDerWaalsContact O-CB 3.28Å; T716-F719 WeakPolarHBondContact O-CB 3.44Å; T716-F719 PolarHBondContact O-N 3.31Å; A717-F719 VanDerWaalsContact C-N 3.26Å; A717-F719 PolarHBondContact O-N 3.11Å; F719-D723 HydrophobicContact CB-CB 3.97Å; F719-D723 HydrophobicContact CD2-CB 3.9Å; F719-D723 HydrophobicContact CG-CB 3.99Å; F719-L724 HydrophobicContact CB-CD2 3.96Å; F719-L724 HydrophobicContact CB-CG 4.34Å; F719-L724 HydrophobicContact CD2-CD2 4.3Å; F719-L767 HydrophobicContact CE2-CD2 4.05Å; F719-L767 HydrophobicContact CZ-CD2 4.32Å; F719-L770 HydrophobicContact CE2-CB 4.37Å; F719-L770 HydrophobicContact CE2-CD1 4.26Å; F719-L770 HydrophobicContact CZ-CB 4.29Å; F719-Q771 HydrophobicContact CE1-CG 4.49Å; F719-Q771 HydrophobicContact CZ-CG 4.22Å
720V86.2Confident84.8Confident12 Ų1241.6 Ų41.67%0.07323%0.233CC..  trans-94.8165178.4-170.90000109.3P563 G565 G722 D723 L724P563-V720 HydrophobicContact CB-CG2 4.39Å; P563-V720 HydrophobicContact CG-CG2 4.13Å; G565-V720 WeakPolarHBondContact O-CG1 3.23Å; V720-G722 PolarHBondContact O-N 3.06Å; V720-G722 VanDerWaalsContact O-N 3.12Å; V720-D723 WeakPolarHBondContact CB-OD2 3.37Å; V720-D723 PolarHBondContact N-OD2 2.79Å; V720-D723 WeakPolarHBondContact O-CA 3.24Å; V720-D723 WeakPolarHBondContact O-CB 3.44Å; V720-D723 PolarHBondContact O-N 3.25Å; V720-L724 PolarHBondContact O-N 3.13Å
721L85.8Confident85Confident13 Ų1336.1 Ų36.17%0.06821%0.207CC..Hα-helixtrans-48.3-42.9178.8177.263.7000113.3W519 L527 M693 L697 L724 S725W519-L721 HydrophobicContact CD2-CD2 4.46Å; W519-L721 HydrophobicContact CE3-CD2 4.22Å; W519-L721 HydrophobicContact CH2-CD1 3.41Å; W519-L721 VanDerWaalsContact CH2-CD1 3.41Å; W519-L721 HydrophobicContact CH2-CD2 4.36Å; W519-L721 HydrophobicContact CZ2-CD1 3.32Å; W519-L721 HydrophobicContact CZ3-CD1 4.06Å; W519-L721 HydrophobicContact CZ3-CD2 4.17Å; L527-L721 HydrophobicContact CD1-CD2 4.09Å; M693-L721 HydrophobicContact CB-CD1 4.29Å; M693-L721 HydrophobicContact CG-CD1 4.17Å; M693-L721 HydrophobicContact SD-CB 4.08Å; M693-L721 HydrophobicContact SD-CD1 3.97Å; L697-L721 HydrophobicContact CD1-CD1 4.32Å; L721-L724 PolarHBondContact O-N 3.44Å; L721-S725 PolarHBondContact O-N 2.97Å
722G84.9Confident85Confident23 Ų2329.7 Ų29.724%0.23719%0.189CC..Hα-helixtrans-59.3-44174.900000112.7G565 V720 S725 A726G565-G722 PolarHBondContact O-N 3.16Å; V720-G722 PolarHBondContact O-N 3.06Å; V720-G722 VanDerWaalsContact O-N 3.12Å; G722-S725 PolarHBondContact O-N 3.28Å; G722-S725 PolarHBondContact O-OG 2.91Å; G722-A726 PolarHBondContact O-N 3.31Å
723D87.5Confident85Confident46 Ų4635.9 Ų35.925%0.24621%0.212CC..Hα-helixtrans-67.6-37.7177.8-54.3-46.9000111.8F719 V720 S725 A726 L727 Q774F719-D723 HydrophobicContact CB-CB 3.97Å; F719-D723 HydrophobicContact CD2-CB 3.9Å; F719-D723 HydrophobicContact CG-CB 3.99Å; V720-D723 WeakPolarHBondContact CB-OD2 3.37Å; V720-D723 PolarHBondContact N-OD2 2.79Å; V720-D723 WeakPolarHBondContact O-CA 3.24Å; V720-D723 WeakPolarHBondContact O-CB 3.44Å; V720-D723 PolarHBondContact O-N 3.25Å; D723-S725 VanDerWaalsContact C-N 3.33Å; D723-S725 PolarHBondContact O-N 3.29Å; D723-A726 CarbonylContact O-C 3.55Å; D723-A726 WeakPolarHBondContact O-CB 3.39Å; D723-A726 PolarHBondContact O-N 3.16Å; D723-L727 WeakPolarHBondContact O-CB 3.23Å; D723-L727 PolarHBondContact O-N 3.48Å; D723-Q774 VanDerWaalsContact CG-NE2 3.25Å; D723-Q774 PolarHBondContact OD1-NE2 3.44Å; D723-Q774 PolarHBondContact OD2-NE2 3.44Å
724L88.4Confident85.1Confident0 Ų036.4 Ų36.40%022%0.217CC..Hα-helixtrans-64.6-38.1174.5-63.2176.9000111.7R690 M693 L694 L697 T716 F719 V720 L721 L727 L728R690-L724 HydrophobicContact CB-CD1 4.43Å; R690-L724 HydrophobicContact CG-CD1 4.32Å; M693-L724 HydrophobicContact CB-CD1 3.83Å; M693-L724 HydrophobicContact SD-CD1 4.03Å; L694-L724 HydrophobicContact CD2-CB 4.48Å; L694-L724 HydrophobicContact CD2-CD2 4.08Å; L694-L724 HydrophobicContact CG-CD2 4.29Å; L697-L724 HydrophobicContact CD1-CB 4.02Å; T716-L724 HydrophobicContact CG2-CD2 4.13Å; F719-L724 HydrophobicContact CB-CD2 3.96Å; F719-L724 HydrophobicContact CB-CG 4.34Å; F719-L724 HydrophobicContact CD2-CD2 4.3Å; V720-L724 PolarHBondContact O-N 3.13Å; L721-L724 PolarHBondContact O-N 3.44Å; L724-L727 WeakPolarHBondContact O-CB 3.5Å; L724-L727 PolarHBondContact O-N 3.11Å; L724-L728 PolarHBondContact O-N 3.44Å
725S87.9Confident85.2Confident48 Ų4830.2 Ų30.234%0.33619%0.189SC..Hα-helixtrans-68.1-36.8173.773.90000112.1L721 G722 D723 L727 T729L721-S725 PolarHBondContact O-N 2.97Å; G722-S725 PolarHBondContact O-N 3.28Å; G722-S725 PolarHBondContact O-OG 2.91Å; D723-S725 VanDerWaalsContact C-N 3.33Å; D723-S725 PolarHBondContact O-N 3.29Å; S725-L727 VanDerWaalsContact C-N 3.34Å; S725-T729 PolarHBondContact O-N 3.19Å; S725-T729 VanDerWaalsContact O-N 3.1Å; S725-T729 PolarHBondContact O-OG1 3.22Å
726A88.5Confident85.3Confident32 Ų3227.2 Ų27.226%0.26418%0.175SC..Hα-helixtrans-65.8-38.6172.700000111G722 D723 L728 T729 E730 L770G722-A726 PolarHBondContact O-N 3.31Å; D723-A726 CarbonylContact O-C 3.55Å; D723-A726 WeakPolarHBondContact O-CB 3.39Å; D723-A726 PolarHBondContact O-N 3.16Å; A726-L728 PolarHBondContact O-N 3.38Å; A726-T729 WeakPolarHBondContact O-CB 3.35Å; A726-T729 PolarHBondContact O-N 3.01Å; A726-E730 WeakPolarHBondContact O-CB 3.07Å; A726-E730 WeakPolarHBondContact O-CG 3.5Å; A726-E730 PolarHBondContact O-N 3.39Å; A726-L770 HydrophobicContact CB-CD1 4.4Å; A726-L770 HydrophobicContact CB-CD2 4.1Å
727L90.7Very high85.5Confident0 Ų034.8 Ų34.80%020%0.204CC..Hα-helixtrans-59.6-45.8177.717764.4000111.7T716 D723 L724 S725 T729 E730 A731 F763 A766 L767 L770T716-L727 HydrophobicContact CG2-CD2 3.67Å; D723-L727 WeakPolarHBondContact O-CB 3.23Å; D723-L727 PolarHBondContact O-N 3.48Å; L724-L727 WeakPolarHBondContact O-CB 3.5Å; L724-L727 PolarHBondContact O-N 3.11Å; S725-L727 VanDerWaalsContact C-N 3.34Å; L727-T729 VanDerWaalsContact C-N 3.33Å; L727-E730 PolarHBondContact O-N 3.15Å; L727-A731 VanDerWaalsContact O-CB 3.23Å; L727-A731 WeakPolarHBondContact O-CB 3.44Å; L727-A731 PolarHBondContact O-N 3.08Å; L727-F763 HydrophobicContact CG-CD1 4.36Å; L727-A766 HydrophobicContact CD1-CB 3.8Å; L727-L767 HydrophobicContact CD1-CD2 3.71Å; L727-L767 HydrophobicContact CD1-CG 3.77Å; L727-L767 HydrophobicContact CD2-CD2 3.92Å; L727-L767 HydrophobicContact CG-CD2 4.48Å; L727-L770 HydrophobicContact CB-CD1 3.61Å; L727-L770 HydrophobicContact CD1-CD1 3.89Å; L727-L770 HydrophobicContact CG-CD1 4.38Å
728L88.5Confident85.9Confident11 Ų1135 Ų356%0.05820%0.195CC..Hα-helixtrans-68.9-35.2177.5-69.7166.4000112.3L697 L701 L724 A726 G732 F763L697-L728 HydrophobicContact CB-CD1 3.12Å; L697-L728 HydrophobicContact CD1-CD1 3.85Å; L697-L728 HydrophobicContact CD2-CD1 4.38Å; L697-L728 HydrophobicContact CG-CD1 3.93Å; L701-L728 HydrophobicContact CD1-CB 3.81Å; L701-L728 HydrophobicContact CD1-CD1 4.11Å; L701-L728 HydrophobicContact CD1-CD2 3.74Å; L701-L728 HydrophobicContact CD1-CG 4.11Å; L724-L728 PolarHBondContact O-N 3.44Å; A726-L728 PolarHBondContact O-N 3.38Å; L728-G732 PolarHBondContact O-N 2.97Å; L728-F763 HydrophobicContact CD2-CE1 3.55Å; L728-F763 HydrophobicContact CD2-CZ 3.66Å
729T88.5Confident86Confident73 Ų7333 Ų3345%0.44817%0.174SC..Hα-helixtrans-66.2-43.9175.2-53.50000111.1S725 A726 L727 G732 R733S725-T729 PolarHBondContact O-N 3.19Å; S725-T729 VanDerWaalsContact O-N 3.1Å; S725-T729 PolarHBondContact O-OG1 3.22Å; A726-T729 WeakPolarHBondContact O-CB 3.35Å; A726-T729 PolarHBondContact O-N 3.01Å; L727-T729 VanDerWaalsContact C-N 3.33Å; T729-G732 PolarHBondContact O-N 2.78Å; T729-R733 WeakPolarHBondContact O-CG 3.2Å; T729-R733 PolarHBondContact O-N 2.93Å
730E88.9Confident85.9Confident34 Ų3435.9 Ų35.916%0.15919%0.189CC..Hα-helixtrans-69.7-37.1176.5-71.3-53.3138.700112.1A726 L727 G732 R733 A734 A766 L770A726-E730 WeakPolarHBondContact O-CB 3.07Å; A726-E730 WeakPolarHBondContact O-CG 3.5Å; A726-E730 PolarHBondContact O-N 3.39Å; L727-E730 PolarHBondContact O-N 3.15Å; E730-G732 VanDerWaalsContact C-N 3.34Å; E730-R733 CarbonylContact O-C 3.57Å; E730-R733 WeakPolarHBondContact O-CB 3.29Å; E730-R733 PolarHBondContact O-N 3.32Å; E730-R733 IonicContact OE1-CZ 3.79Å; E730-R733 IonicContact OE1-NE 2.92Å; E730-R733 IonicContact OE1-NH1 3.86Å; E730-R733 PolarHBondContact OE1-NH1 2.82Å; E730-A734 WeakPolarHBondContact O-CB 3.15Å; E730-A734 PolarHBondContact O-N 2.97Å; E730-A766 HydrophobicContact CB-CB 3.81Å; E730-L770 HydrophobicContact CG-CD2 4.26Å; E730-L770 HydrophobicContact CG-CG 4.31Å
731A90.3Very high85.4Confident0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-63.2-42173.100000110.9L727 R733 A734 A735 I758 F763 A766L727-A731 VanDerWaalsContact O-CB 3.23Å; L727-A731 WeakPolarHBondContact O-CB 3.44Å; L727-A731 PolarHBondContact O-N 3.08Å; A731-R733 PolarHBondContact O-N 3.23Å; A731-A734 PolarHBondContact O-N 3.3Å; A731-A735 WeakPolarHBondContact O-CB 3.33Å; A731-A735 PolarHBondContact O-N 2.84Å; A731-I758 HydrophobicContact CB-CG2 3.91Å; A731-F763 HydrophobicContact CB-CD1 3.83Å; A731-F763 HydrophobicContact CB-CE1 3.87Å; A731-F763 HydrophobicContact CB-CG 4.24Å; A731-F763 HydrophobicContact CB-CZ 4.29Å; A731-A766 HydrophobicContact CB-CB 4.01Å
732G86.4Confident84.7Confident20 Ų2046.7 Ų46.721%0.20624%0.244CC..Hα-helixtrans-61.1-41.6171.300000112.7L728 T729 E730 A735 C736L728-G732 PolarHBondContact O-N 2.97Å; T729-G732 PolarHBondContact O-N 2.78Å; E730-G732 VanDerWaalsContact C-N 3.34Å; G732-A735 PolarHBondContact O-N 3.03Å; G732-C736 PolarHBondContact O-N 2.89Å; G732-C736 PolarHBondContact O-SG 2.8Å
733R85.9Confident83.7Confident133 Ų13346.5 Ų46.550%0.50224%0.238SC..Hα-helixtrans-65.3-40.8174.6-73.9173.4-179.1170.60.3112.4T729 E730 A731 C736 R737T729-R733 WeakPolarHBondContact O-CG 3.2Å; T729-R733 PolarHBondContact O-N 2.93Å; E730-R733 CarbonylContact O-C 3.57Å; E730-R733 WeakPolarHBondContact O-CB 3.29Å; E730-R733 PolarHBondContact O-N 3.32Å; E730-R733 IonicContact OE1-CZ 3.79Å; E730-R733 IonicContact OE1-NE 2.92Å; E730-R733 IonicContact OE1-NH1 3.86Å; E730-R733 PolarHBondContact OE1-NH1 2.82Å; A731-R733 PolarHBondContact O-N 3.23Å; R733-C736 PolarHBondContact O-N 2.86Å; R733-R737 WeakPolarHBondContact O-CG 3.4Å; R733-R737 PolarHBondContact O-N 3.1Å
734A86.9Confident82.3Confident12 Ų1247.2 Ų47.210%0.09926%0.256CS..Hα-helixtrans-63.5-44.7176.600000110.8E730 A731 C736 R737 R738 D762 C765E730-A734 WeakPolarHBondContact O-CB 3.15Å; E730-A734 PolarHBondContact O-N 2.97Å; A731-A734 PolarHBondContact O-N 3.3Å; A734-C736 PolarHBondContact O-N 2.8Å; A734-R737 PolarHBondContact O-N 3.18Å; A734-R738 WeakPolarHBondContact O-CB 3.5Å; A734-R738 PolarHBondContact O-N 2.78Å; A734-D762 HydrophobicContact CB-CB 4.13Å; A734-C765 HydrophobicContact CB-CB 4.46Å
735A84.9Confident80.8Confident0 Ų050.7 Ų50.70%029%0.292CS..Hα-helixtrans-58.8-45.6173.400000111.6A731 G732 R737 R738 L739 V756 I758 D762A731-A735 WeakPolarHBondContact O-CB 3.33Å; A731-A735 PolarHBondContact O-N 2.84Å; G732-A735 PolarHBondContact O-N 3.03Å; A735-R737 PolarHBondContact O-N 3.47Å; A735-R738 PolarHBondContact O-N 2.77Å; A735-L739 WeakPolarHBondContact O-CG 3.41Å; A735-L739 PolarHBondContact O-N 3.47Å; A735-V756 HydrophobicContact CB-CG1 3.73Å; A735-I758 HydrophobicContact CB-CG1 4.45Å; A735-D762 HydrophobicContact CB-CB 4.31Å; A735-D762 WeakPolarHBondContact CB-OD2 3.48Å
736C81.3Confident79.5Confident22 Ų2251.1 Ų51.115%0.14929%0.286CS..Hα-helixtrans-62.1-42174.8-71.50000112.6G732 R733 A734 L739 I740G732-C736 PolarHBondContact O-N 2.89Å; G732-C736 PolarHBondContact O-SG 2.8Å; R733-C736 PolarHBondContact O-N 2.86Å; A734-C736 PolarHBondContact O-N 2.8Å; C736-L739 PolarHBondContact O-N 2.88Å; C736-I740 WeakPolarHBondContact O-CD1 3.45Å; C736-I740 VanDerWaalsContact O-CG1 3.23Å; C736-I740 WeakPolarHBondContact O-CG1 3.48Å; C736-I740 PolarHBondContact O-N 2.93Å
737R83.6Confident78.1Confident159 Ų15955.5 Ų55.560%0.631%0.305SS*.Hα-helixtrans-63.3-43.9177-76.6178.7-174.7160.34.8111.8R733 A734 A735 L739 I740 H741R733-R737 WeakPolarHBondContact O-CG 3.4Å; R733-R737 PolarHBondContact O-N 3.1Å; A734-R737 PolarHBondContact O-N 3.18Å; A735-R737 PolarHBondContact O-N 3.47Å; R737-L739 VanDerWaalsContact C-N 3.33Å; R737-L739 PolarHBondContact O-N 3.15Å; R737-I740 PolarHBondContact O-N 2.67Å; R737-H741 WeakPolarHBondContact O-CB 3.44Å; R737-H741 PolarHBondContact O-N 3.29Å
738R82.6Confident76.7Confident52 Ų5261.5 Ų61.520%0.19633%0.333CS..Hα-helixtrans-56.3-49.5174.2177.5170.559.292.3-0.3110.3A734 A735 I740 H741 T742 M759 D762A734-R738 WeakPolarHBondContact O-CB 3.5Å; A734-R738 PolarHBondContact O-N 2.78Å; A735-R738 PolarHBondContact O-N 2.77Å; R738-I740 PolarHBondContact O-N 2.64Å; R738-H741 PolarHBondContact O-N 2.75Å; R738-T742 PolarHBondContact O-N 3.4Å; R738-T742 PolarHBondContact O-OG1 3.45Å; R738-T742 VanDerWaalsContact O-OG1 3.07Å; R738-M759 VanDerWaalsContact CZ-SD 3.54Å; R738-M759 PolarHBondContact NH1-SD 3.08Å; R738-M759 PolarHBondContact NH2-SD 2.86Å; R738-D762 IonicContact CZ-OD1 3.17Å; R738-D762 IonicContact CZ-OD2 3.89Å; R738-D762 IonicContact NE-OD1 3.85Å; R738-D762 PolarHBondContact NE-OD1 3.24Å; R738-D762 IonicContact NE-OD2 3.64Å; R738-D762 IonicContact NH2-OD1 2.62Å; R738-D762 IonicContact NH2-OD2 3.2Å; R738-D762 PolarHBondContact NH2-OD2 3.3Å
739L76.9Confident75.5Confident0 Ų067.3 Ų67.30%036%0.359CS..Hα-helixtrans-61.3-42.4177.6-74.8177.1000113.5P191 V192 A735 C736 R737 H741 T742 C743 L751 V756P191-L739 HydrophobicContact CB-CD2 3.57Å; P191-L739 HydrophobicContact CG-CD2 3.38Å; V192-L739 HydrophobicContact CG1-CD1 4.02Å; V192-L739 HydrophobicContact CG1-CD2 4.17Å; A735-L739 WeakPolarHBondContact O-CG 3.41Å; A735-L739 PolarHBondContact O-N 3.47Å; C736-L739 PolarHBondContact O-N 2.88Å; R737-L739 VanDerWaalsContact C-N 3.33Å; R737-L739 PolarHBondContact O-N 3.15Å; L739-H741 VanDerWaalsContact C-N 3.27Å; L739-H741 PolarHBondContact O-N 3.28Å; L739-T742 PolarHBondContact O-N 2.98Å; L739-C743 WeakPolarHBondContact O-CB 3.43Å; L739-C743 PolarHBondContact O-N 3.2Å; L739-C743 PolarHBondContact O-SG 2.62Å; L739-L751 HydrophobicContact CB-CD1 4.17Å; L739-L751 HydrophobicContact CB-CD2 4.41Å; L739-V756 HydrophobicContact CD1-CB 4.05Å; L739-V756 HydrophobicContact CD1-CG1 3.58Å; L739-V756 HydrophobicContact CD1-CG2 3.49Å; L739-V756 VanDerWaalsContact CD1-CG2 3.49Å
740I78.6Confident74.3Confident64 Ų6466.6 Ų66.633%0.32835%0.353SS..Hα-helixtrans-61.6-40.1176.5-69.1162.5000110.5C736 R737 R738 G744 L751C736-I740 WeakPolarHBondContact O-CD1 3.45Å; C736-I740 VanDerWaalsContact O-CG1 3.23Å; C736-I740 WeakPolarHBondContact O-CG1 3.48Å; C736-I740 PolarHBondContact O-N 2.93Å; R737-I740 PolarHBondContact O-N 2.67Å; R738-I740 PolarHBondContact O-N 2.64Å; I740-G744 PolarHBondContact O-N 2.8Å; I740-L751 HydrophobicContact CG1-CD1 3.83Å
741H77.5Confident73.1Confident171 Ų17165.1 Ų65.179%0.79235%0.346SS*.Hα-helixtrans-70-35.7179.8-149.5-58.8000112.5R737 R738 L739R737-H741 WeakPolarHBondContact O-CB 3.44Å; R737-H741 PolarHBondContact O-N 3.29Å; R738-H741 PolarHBondContact O-N 2.75Å; L739-H741 VanDerWaalsContact C-N 3.27Å; L739-H741 PolarHBondContact O-N 3.28Å
742T70Confident71.8Confident81 Ų8168.7 Ų68.750%0.49737%0.37SS..Hα-helixtrans-75.1-36.7174.9-51.10000112.2R738 L739R738-T742 PolarHBondContact O-N 3.4Å; R738-T742 PolarHBondContact O-OG1 3.45Å; R738-T742 VanDerWaalsContact O-OG1 3.07Å; L739-T742 PolarHBondContact O-N 2.98Å
743C63.9Low70.6Confident19 Ų1969.3 Ų69.313%0.12837%0.371CS..Hα-helixtrans-95.7-6-170-60.90000115.1L739 R746L739-C743 WeakPolarHBondContact O-CB 3.43Å; L739-C743 PolarHBondContact O-N 3.2Å; L739-C743 PolarHBondContact O-SG 2.62Å; C743-R746 HydrophobicContact CB-CG 4.16Å; C743-R746 PolarHBondContact O-NE 2.95Å
744G58.6Low69.5Low60 Ų6063.1 Ų63.162%0.61935%0.348SS*.THydrogen-bonded Turntrans64.784.9174.900000114.3I740 R746I740-G744 PolarHBondContact O-N 2.8Å; G744-R746 VanDerWaalsContact C-N 3.28Å; G744-R746 PolarHBondContact O-N 3.26Å; G744-R746 VanDerWaalsContact O-N 3.11Å
745G56.7Low68.6Low73 Ų7363 Ų6375%0.75335%0.348SS*.SBendtrans68.69.9164.200000117.6
746R59.6Low68.2Low58 Ų5864.1 Ų64.122%0.21936%0.355CS..  trans-62.5150.4178.7-60.9-172.8-172.4-160.9-7.4112.6E115 P116 C743 G744 Q748E115-R746 PolarHBondContact O-NH1 2.89Å; P116-R746 PolarHBondContact O-NH1 2.67Å; C743-R746 HydrophobicContact CB-CG 4.16Å; C743-R746 PolarHBondContact O-NE 2.95Å; G744-R746 VanDerWaalsContact C-N 3.28Å; G744-R746 PolarHBondContact O-N 3.26Å; G744-R746 VanDerWaalsContact O-N 3.11Å; R746-Q748 PolarHBondContact O-N 3.42Å
747L60.2Low68.1Low124 Ų12463.6 Ų63.665%0.64935%0.351SS*.  trans-60.9133.3175.7-82.6137.2000110.8E749 D750L747-E749 PolarHBondContact O-N 3.13Å; L747-D750 WeakPolarHBondContact O-CB 3.44Å; L747-D750 PolarHBondContact O-N 2.93Å
748Q61.7Low68.2Low126 Ų12656.3 Ų56.359%0.58932%0.324SS*.Hα-helixtrans-60.3-29.6-177.6-172.1177.9-8.300113R746 D750 C752R746-Q748 PolarHBondContact O-N 3.42Å; Q748-D750 VanDerWaalsContact C-N 3.33Å; Q748-D750 PolarHBondContact O-N 3.31Å; Q748-C752 PolarHBondContact O-N 2.95Å; Q748-C752 PolarHBondContact O-SG 2.83Å
749E62.3Low68.4Low132 Ų13255.1 Ų55.162%0.61732%0.321SS*.Hα-helixtrans-67.3-33.2179.6-63.1-171.9178.800113L747 S753L747-E749 PolarHBondContact O-N 3.13Å; E749-S753 PolarHBondContact O-N 3.04Å; E749-S753 PolarHBondContact O-OG 3.46Å
750D63.6Low68.9Low59 Ų5957 Ų5732%0.31633%0.331SS..Hα-helixtrans-71.8-40.6-178.8-71.2-15.3000111.1L114 L747 Q748 S753 S754L114-D750 HydrophobicContact CD1-CB 3.41Å; L114-D750 VanDerWaalsContact CD1-CB 3.41Å; L114-D750 VanDerWaalsContact CD1-CG 3.45Å; L747-D750 WeakPolarHBondContact O-CB 3.44Å; L747-D750 PolarHBondContact O-N 2.93Å; Q748-D750 VanDerWaalsContact C-N 3.33Å; Q748-D750 PolarHBondContact O-N 3.31Å; D750-S753 WeakPolarHBondContact O-CB 3.5Å; D750-S753 PolarHBondContact O-N 3.1Å; D750-S754 PolarHBondContact O-N 3.35Å
751L64.8Low69.3Low3 Ų360.7 Ų60.72%0.01635%0.347CS..Hα-helixtrans-65.8-43.7175.3-66.3172.7000111.8V117 L739 I740 S753 S754V117-L751 HydrophobicContact CG2-CD2 3.76Å; L739-L751 HydrophobicContact CB-CD1 4.17Å; L739-L751 HydrophobicContact CB-CD2 4.41Å; I740-L751 HydrophobicContact CG1-CD1 3.83Å; L751-S753 PolarHBondContact O-N 3.23Å; L751-S754 PolarHBondContact O-N 2.86Å; L751-S754 PolarHBondContact O-OG 3.06Å
752C61.9Low69.9Low74 Ų7452.9 Ų52.950%0.531%0.311SS..Hα-helixtrans-59.4-35.2176.1-70.30000112.2Q748 G755Q748-C752 PolarHBondContact O-N 2.95Å; Q748-C752 PolarHBondContact O-SG 2.83Å; C752-G755 PolarHBondContact O-N 3.02Å
753S62.1Low70.9Confident33 Ų3349.1 Ų49.123%0.23129%0.288CS..Hα-helixtrans-70.9-29.4-179.4-60.30000113.3E749 D750 L751 G755E749-S753 PolarHBondContact O-N 3.04Å; E749-S753 PolarHBondContact O-OG 3.46Å; D750-S753 WeakPolarHBondContact O-CB 3.5Å; D750-S753 PolarHBondContact O-N 3.1Å; L751-S753 PolarHBondContact O-N 3.23Å; S753-G755 VanDerWaalsContact C-N 3.29Å; S753-G755 PolarHBondContact O-N 2.66Å
754S60.9Low72Confident3 Ų350.9 Ų50.92%0.02130%0.3CS..THydrogen-bonded Turntrans-77.4-7.917869.30000114.9V192 K193 Q194 D750 L751V192-S754 WeakPolarHBondContact CG1-OG 3.3Å; K193-S754 PolarHBondContact N-O 3.34Å; Q194-S754 PolarHBondContact N-O 3.32Å; D750-S754 PolarHBondContact O-N 3.35Å; L751-S754 PolarHBondContact O-N 2.86Å; L751-S754 PolarHBondContact O-OG 3.06Å
755G69Low73.3Confident9 Ų950.8 Ų50.89%0.09329%0.289CS..  trans76.188.7179.800000112.5V192 K193 C752 S753 T757V192-G755 CarbonylContact C-O 3.55Å; V192-G755 WeakPolarHBondContact CA-O 3.43Å; K193-G755 PolarHBondContact N-O 3.46Å; C752-G755 PolarHBondContact O-N 3.02Å; S753-G755 VanDerWaalsContact C-N 3.29Å; S753-G755 PolarHBondContact O-N 2.66Å; G755-T757 PolarHBondContact O-N 2.78Å
756V76Confident74.9Confident25 Ų2547.4 Ų47.415%0.15225%0.254CS..BIsolated β-bridgetrans-70.5127.2179.5178.70000110.9A735 L739A735-V756 HydrophobicContact CB-CG1 3.73Å; L739-V756 HydrophobicContact CD1-CB 4.05Å; L739-V756 HydrophobicContact CD1-CG1 3.58Å; L739-V756 HydrophobicContact CD1-CG2 3.49Å; L739-V756 VanDerWaalsContact CD1-CG2 3.49Å
757T79.6Confident76.2Confident10 Ų1045.1 Ų45.16%0.06125%0.246CC..PPolyproline II helixtrans-91.7132.5171.762.90000110.5P191 K193 G755P191-T757 PolarHBondContact O-N 3.36Å; P191-T757 PolarHBondContact O-OG1 3.4Å; K193-T757 HydrophobicContact CG-CG2 4.16Å; G755-T757 PolarHBondContact O-N 2.78Å
758I86.1Confident77.3Confident6 Ų644.9 Ų44.93%0.03124%0.242CC..BIsolated β-bridgetrans-92.3122.9178.7-54176.4000108.9L701 C702 L703 G704 A731 A735 D762 F763L701-I758 HydrophobicContact CB-CD1 4.47Å; L701-I758 HydrophobicContact CD1-CD1 4.37Å; L701-I758 HydrophobicContact CD2-CD1 4.44Å; C702-I758 PolarHBondContact O-N 2.84Å; L703-I758 HydrophobicContact CD2-CB 4.45Å; G704-I758 PolarHBondContact N-O 3.21Å; A731-I758 HydrophobicContact CB-CG2 3.91Å; A735-I758 HydrophobicContact CB-CG1 4.45Å; I758-D762 HydrophobicContact CG2-CB 4.06Å; I758-F763 HydrophobicContact CB-CE2 4.32Å; I758-F763 HydrophobicContact CG2-CD2 3.89Å; I758-F763 HydrophobicContact CG2-CE2 3.45Å; I758-F763 VanDerWaalsContact CG2-CE2 3.45Å; I758-F763 HydrophobicContact CG2-CZ 3.98Å
759M85.9Confident78.4Confident27 Ų2741.7 Ų41.713%0.13323%0.231CC..PPolyproline II helixtrans-99.5165.9-179.9-65.3178.9-176.700112.3S190 P191 R738 Q761 D762 F763S190-M759 WeakPolarHBondContact OG-CE 3.47Å; P191-M759 HydrophobicContact CB-CE 4.31Å; R738-M759 VanDerWaalsContact CZ-SD 3.54Å; R738-M759 PolarHBondContact NH1-SD 3.08Å; R738-M759 PolarHBondContact NH2-SD 2.86Å; M759-Q761 VanDerWaalsContact C-N 3.26Å; M759-Q761 PolarHBondContact O-N 3.16Å; M759-D762 PolarHBondContact N-OD2 2.77Å; M759-D762 WeakPolarHBondContact O-CB 3.48Å; M759-D762 PolarHBondContact O-N 3.44Å; M759-D762 VanDerWaalsContact O-N 3.08Å; M759-F763 WeakPolarHBondContact O-CD2 3.4Å; M759-F763 PolarHBondContact O-N 3.15Å
760N88Confident79.4Confident39 Ų3936.4 Ų36.421%0.20921%0.207CC..Hα-helixtrans-61-34.6177.8-160.5-21.1000112.4D706 D762 F763 C764D706-N760 HydrophobicContact CB-CB 4.39Å; D706-N760 PolarHBondContact O-ND2 3.32Å; N760-D762 VanDerWaalsContact C-N 3.28Å; N760-D762 PolarHBondContact O-N 3.1Å; N760-F763 WeakPolarHBondContact O-CB 3.44Å; N760-F763 PolarHBondContact O-N 3.26Å; N760-F763 VanDerWaalsContact O-N 3.15Å; N760-C764 PolarHBondContact O-N 3.44Å; N760-C764 PolarHBondContact O-SG 2.62Å
761Q87.2Confident80Confident143 Ų14337.6 Ų37.667%0.66821%0.21SC*.Hα-helixtrans-60-38.8174.2-64.5179.66.500112.4M759 F763 C764 C765M759-Q761 VanDerWaalsContact C-N 3.26Å; M759-Q761 PolarHBondContact O-N 3.16Å; Q761-F763 VanDerWaalsContact C-N 3.32Å; Q761-F763 PolarHBondContact O-N 3.29Å; Q761-C764 PolarHBondContact O-N 3.01Å; Q761-C765 PolarHBondContact O-N 3.43Å
762D89.9Confident80.4Confident7 Ų740.2 Ų40.24%0.03722%0.224CC..Hα-helixtrans-66.5-37.5178.2-55-44.3000110.4A734 A735 R738 I758 M759 N760 A766A734-D762 HydrophobicContact CB-CB 4.13Å; A735-D762 HydrophobicContact CB-CB 4.31Å; A735-D762 WeakPolarHBondContact CB-OD2 3.48Å; R738-D762 IonicContact CZ-OD1 3.17Å; R738-D762 IonicContact CZ-OD2 3.89Å; R738-D762 IonicContact NE-OD1 3.85Å; R738-D762 PolarHBondContact NE-OD1 3.24Å; R738-D762 IonicContact NE-OD2 3.64Å; R738-D762 IonicContact NH2-OD1 2.62Å; R738-D762 IonicContact NH2-OD2 3.2Å; R738-D762 PolarHBondContact NH2-OD2 3.3Å; I758-D762 HydrophobicContact CG2-CB 4.06Å; M759-D762 PolarHBondContact N-OD2 2.77Å; M759-D762 WeakPolarHBondContact O-CB 3.48Å; M759-D762 PolarHBondContact O-N 3.44Å; M759-D762 VanDerWaalsContact O-N 3.08Å; N760-D762 VanDerWaalsContact C-N 3.28Å; N760-D762 PolarHBondContact O-N 3.1Å; D762-A766 VanDerWaalsContact O-CB 3.27Å; D762-A766 WeakPolarHBondContact O-CB 3.11Å; D762-A766 PolarHBondContact O-N 3.2Å
763F90.2Very high80.9Confident1 Ų139.1 Ų39.10%0.00422%0.22CC..Hα-helixtrans-65.9-42.4172.9-79.9-75.4000113.1L703 V707 L712 L727 L728 A731 I758 M759 N760 Q761 A766 L767L703-F763 HydrophobicContact CD2-CE2 3.82Å; L703-F763 HydrophobicContact CD2-CZ 3.78Å; V707-F763 HydrophobicContact CB-CE2 4.49Å; V707-F763 HydrophobicContact CG1-CD2 4.01Å; V707-F763 HydrophobicContact CG1-CE2 3.69Å; V707-F763 HydrophobicContact CG1-CZ 4.39Å; V707-F763 HydrophobicContact CG2-CD2 4.05Å; V707-F763 HydrophobicContact CG2-CE2 3.91Å; L712-F763 HydrophobicContact CD1-CD1 3.92Å; L712-F763 HydrophobicContact CD1-CD2 4.27Å; L712-F763 HydrophobicContact CD1-CE1 4.13Å; L712-F763 HydrophobicContact CD1-CE2 4.47Å; L712-F763 HydrophobicContact CD1-CG 4Å; L712-F763 HydrophobicContact CD1-CZ 4.41Å; L712-F763 HydrophobicContact CD2-CB 4.06Å; L712-F763 HydrophobicContact CD2-CD1 4.44Å; L712-F763 HydrophobicContact CD2-CG 4.35Å; L727-F763 HydrophobicContact CG-CD1 4.36Å; L728-F763 HydrophobicContact CD2-CE1 3.55Å; L728-F763 HydrophobicContact CD2-CZ 3.66Å; A731-F763 HydrophobicContact CB-CD1 3.83Å; A731-F763 HydrophobicContact CB-CE1 3.87Å; A731-F763 HydrophobicContact CB-CG 4.24Å; A731-F763 HydrophobicContact CB-CZ 4.29Å; I758-F763 HydrophobicContact CB-CE2 4.32Å; I758-F763 HydrophobicContact CG2-CD2 3.89Å; I758-F763 HydrophobicContact CG2-CE2 3.45Å; I758-F763 VanDerWaalsContact CG2-CE2 3.45Å; I758-F763 HydrophobicContact CG2-CZ 3.98Å; M759-F763 WeakPolarHBondContact O-CD2 3.4Å; M759-F763 PolarHBondContact O-N 3.15Å; N760-F763 WeakPolarHBondContact O-CB 3.44Å; N760-F763 PolarHBondContact O-N 3.26Å; N760-F763 VanDerWaalsContact O-N 3.15Å; Q761-F763 VanDerWaalsContact C-N 3.32Å; Q761-F763 PolarHBondContact O-N 3.29Å; F763-A766 PolarHBondContact O-N 3.31Å; F763-L767 WeakPolarHBondContact O-CB 3.25Å; F763-L767 VanDerWaalsContact O-CG 3.31Å; F763-L767 WeakPolarHBondContact O-CG 3.17Å; F763-L767 PolarHBondContact O-N 3.41Å
764C86.8Confident81.3Confident57 Ų5739.9 Ų39.939%0.38522%0.22SC..Hα-helixtrans-60.1-47.5175.8-68.40000111.3N760 Q761 A766 L767 E768N760-C764 PolarHBondContact O-N 3.44Å; N760-C764 PolarHBondContact O-SG 2.62Å; Q761-C764 PolarHBondContact O-N 3.01Å; C764-A766 VanDerWaalsContact C-N 3.33Å; C764-A766 PolarHBondContact O-N 3.17Å; C764-L767 PolarHBondContact O-N 3.22Å; C764-E768 WeakPolarHBondContact O-CG 3.26Å; C764-E768 PolarHBondContact O-N 2.87Å
765C87.3Confident81.5Confident58 Ų5840.6 Ų40.639%0.39223%0.226SC..Hα-helixtrans-62.5-39.5177.3-174.20000112.3A734 Q761 T769A734-C765 HydrophobicContact CB-CB 4.46Å; Q761-C765 PolarHBondContact O-N 3.43Å; C765-T769 WeakPolarHBondContact O-CB 3.45Å; C765-T769 PolarHBondContact O-N 3.4Å; C765-T769 PolarHBondContact O-OG1 3.32Å
766A90.3Very high81.4Confident2 Ų247.8 Ų47.82%0.01725%0.254CS..Hα-helixtrans-66.7-4117600000112.4L727 E730 A731 D762 F763 C764 T769 L770L727-A766 HydrophobicContact CD1-CB 3.8Å; E730-A766 HydrophobicContact CB-CB 3.81Å; A731-A766 HydrophobicContact CB-CB 4.01Å; D762-A766 VanDerWaalsContact O-CB 3.27Å; D762-A766 WeakPolarHBondContact O-CB 3.11Å; D762-A766 PolarHBondContact O-N 3.2Å; F763-A766 PolarHBondContact O-N 3.31Å; C764-A766 VanDerWaalsContact C-N 3.33Å; C764-A766 PolarHBondContact O-N 3.17Å; A766-T769 PolarHBondContact O-N 3.09Å; A766-L770 WeakPolarHBondContact O-CB 3.35Å; A766-L770 WeakPolarHBondContact O-CG 3.35Å; A766-L770 PolarHBondContact O-N 3.1Å
767L87.1Confident80.7Confident9 Ų950.9 Ų50.95%0.04728%0.282CS..Hα-helixtrans-60.6-47.7175.1-78.7169.8000111.1L712 L715 T716 F719 L727 F763 C764 T769 L770 Q771L712-L767 HydrophobicContact CD2-CD1 4.08Å; L715-L767 HydrophobicContact CB-CD1 4.3Å; L715-L767 HydrophobicContact CD1-CD1 4.33Å; T716-L767 HydrophobicContact CG2-CD2 3.66Å; F719-L767 HydrophobicContact CE2-CD2 4.05Å; F719-L767 HydrophobicContact CZ-CD2 4.32Å; L727-L767 HydrophobicContact CD1-CD2 3.71Å; L727-L767 HydrophobicContact CD1-CG 3.77Å; L727-L767 HydrophobicContact CD2-CD2 3.92Å; L727-L767 HydrophobicContact CG-CD2 4.48Å; F763-L767 WeakPolarHBondContact O-CB 3.25Å; F763-L767 VanDerWaalsContact O-CG 3.31Å; F763-L767 WeakPolarHBondContact O-CG 3.17Å; F763-L767 PolarHBondContact O-N 3.41Å; C764-L767 PolarHBondContact O-N 3.22Å; L767-T769 VanDerWaalsContact C-N 3.32Å; L767-T769 PolarHBondContact O-N 3.07Å; L767-L770 PolarHBondContact O-N 3.32Å; L767-Q771 VanDerWaalsContact O-CB 3.31Å; L767-Q771 WeakPolarHBondContact O-CB 3.4Å; L767-Q771 VanDerWaalsContact O-CG 3.26Å; L767-Q771 WeakPolarHBondContact O-CG 3.35Å; L767-Q771 PolarHBondContact O-N 2.74Å
768E83.1Confident79.8Confident120 Ų12052.8 Ų52.856%0.56129%0.292SS*.Hα-helixtrans-59.1-44.5176.2-72.6176.1-170.800111.4C764 L770 N772C764-E768 WeakPolarHBondContact O-CG 3.26Å; C764-E768 PolarHBondContact O-N 2.87Å; E768-L770 PolarHBondContact O-N 2.85Å; E768-N772 WeakPolarHBondContact O-CB 3.37Å; E768-N772 PolarHBondContact O-N 3.14Å; E768-N772 PolarHBondContact O-ND2 3.15Å
769T85.1Confident78.3Confident58 Ų5855.3 Ų55.336%0.35632%0.319SS..Hα-helixtrans-62.8-42.5179.4-56.90000111.5C765 A766 L767 N772 A773C765-T769 WeakPolarHBondContact O-CB 3.45Å; C765-T769 PolarHBondContact O-N 3.4Å; C765-T769 PolarHBondContact O-OG1 3.32Å; A766-T769 PolarHBondContact O-N 3.09Å; L767-T769 VanDerWaalsContact C-N 3.32Å; L767-T769 PolarHBondContact O-N 3.07Å; T769-N772 WeakPolarHBondContact O-CB 3.19Å; T769-N772 PolarHBondContact O-N 2.81Å; T769-A773 PolarHBondContact O-N 3.28Å
770L82.6Confident76.8Confident21 Ų2154.4 Ų54.411%0.1132%0.316CS..Hα-helixtrans-73.9-41.1179.3-76.6176.1000113.3F719 A726 L727 E730 A766 L767 E768 N772 A773 Q774F719-L770 HydrophobicContact CE2-CB 4.37Å; F719-L770 HydrophobicContact CE2-CD1 4.26Å; F719-L770 HydrophobicContact CZ-CB 4.29Å; A726-L770 HydrophobicContact CB-CD1 4.4Å; A726-L770 HydrophobicContact CB-CD2 4.1Å; L727-L770 HydrophobicContact CB-CD1 3.61Å; L727-L770 HydrophobicContact CD1-CD1 3.89Å; L727-L770 HydrophobicContact CG-CD1 4.38Å; E730-L770 HydrophobicContact CG-CD2 4.26Å; E730-L770 HydrophobicContact CG-CG 4.31Å; A766-L770 WeakPolarHBondContact O-CB 3.35Å; A766-L770 WeakPolarHBondContact O-CG 3.35Å; A766-L770 PolarHBondContact O-N 3.1Å; L767-L770 PolarHBondContact O-N 3.32Å; E768-L770 PolarHBondContact O-N 2.85Å; L770-N772 PolarHBondContact O-N 3.44Å; L770-A773 CarbonylContact O-C 3.55Å; L770-A773 PolarHBondContact O-N 2.87Å; L770-A773 VanDerWaalsContact O-N 3.08Å; L770-Q774 WeakPolarHBondContact O-CB 3.49Å; L770-Q774 WeakPolarHBondContact O-CG 3.41Å; L770-Q774 PolarHBondContact O-N 3.46Å
771Q76.4Confident75.2Confident85 Ų8555.6 Ų55.640%0.39733%0.326SS..Hα-helixtrans-61.1-38.9173-73.2175.6-11.800110.4F719 L767 A773 Q774 S775F719-Q771 HydrophobicContact CE1-CG 4.49Å; F719-Q771 HydrophobicContact CZ-CG 4.22Å; L767-Q771 VanDerWaalsContact O-CB 3.31Å; L767-Q771 WeakPolarHBondContact O-CB 3.4Å; L767-Q771 VanDerWaalsContact O-CG 3.26Å; L767-Q771 WeakPolarHBondContact O-CG 3.35Å; L767-Q771 PolarHBondContact O-N 2.74Å; Q771-A773 PolarHBondContact O-N 2.82Å; Q771-Q774 PolarHBondContact O-N 3.07Å; Q771-S775 WeakPolarHBondContact O-CB 3.16Å; Q771-S775 PolarHBondContact O-N 3.2Å; Q771-S775 PolarHBondContact O-OG 3.18Å
772N72.8Confident73.6Confident57 Ų5755 Ų5531%0.30532%0.321SS..Hα-helixtrans-64.1-36.4172-78.8-51.6000113E768 T769 L770 S775 K776 K782E768-N772 WeakPolarHBondContact O-CB 3.37Å; E768-N772 PolarHBondContact O-N 3.14Å; E768-N772 PolarHBondContact O-ND2 3.15Å; T769-N772 WeakPolarHBondContact O-CB 3.19Å; T769-N772 PolarHBondContact O-N 2.81Å; L770-N772 PolarHBondContact O-N 3.44Å; N772-S775 VanDerWaalsContact CA-OG 3.28Å; N772-S775 WeakPolarHBondContact CA-OG 3.47Å; N772-S775 PolarHBondContact O-OG 3.3Å; N772-K776 WeakPolarHBondContact O-CB 3.32Å; N772-K776 WeakPolarHBondContact O-CD 3.46Å; N772-K776 WeakPolarHBondContact O-CG 3.18Å; N772-K776 PolarHBondContact O-N 3.35Å; N772-K782 WeakPolarHBondContact OD1-CE 3.38Å
773A73.7Confident72.3Confident51 Ų5157.9 Ų57.942%0.42134%0.336SS..Hα-helixtrans-72.2-42.1175.700000112.1T769 L770 Q771 K776 A777T769-A773 PolarHBondContact O-N 3.28Å; L770-A773 CarbonylContact O-C 3.55Å; L770-A773 PolarHBondContact O-N 2.87Å; L770-A773 VanDerWaalsContact O-N 3.08Å; Q771-A773 PolarHBondContact O-N 2.82Å; A773-K776 PolarHBondContact O-N 3.39Å; A773-A777 WeakPolarHBondContact O-CB 3.19Å; A773-A777 PolarHBondContact O-N 3.49Å
774Q69.4Low71.1Confident49 Ų4958.6 Ų58.623%0.22934%0.341CS..Hα-helixtrans-66.2-46.1177.7-76.9-171.6-11.100111.8D723 L770 Q771 K776 A777 I778D723-Q774 VanDerWaalsContact CG-NE2 3.25Å; D723-Q774 PolarHBondContact OD1-NE2 3.44Å; D723-Q774 PolarHBondContact OD2-NE2 3.44Å; L770-Q774 WeakPolarHBondContact O-CB 3.49Å; L770-Q774 WeakPolarHBondContact O-CG 3.41Å; L770-Q774 PolarHBondContact O-N 3.46Å; Q771-Q774 PolarHBondContact O-N 3.07Å; Q774-K776 PolarHBondContact O-N 3.38Å; Q774-A777 PolarHBondContact O-N 3.04Å; Q774-A777 VanDerWaalsContact O-N 3.1Å; Q774-I778 WeakPolarHBondContact O-CB 3.45Å; Q774-I778 VanDerWaalsContact O-CG1 3.24Å; Q774-I778 WeakPolarHBondContact O-CG1 3.47Å; Q774-I778 PolarHBondContact O-N 2.84Å
775S65.8Low70.5Confident19 Ų1962.9 Ų62.913%0.13336%0.359CS..Hα-helixtrans-56.2-48.2174.248.30000111.5Q771 N772 A777 I778 G779 A780Q771-S775 WeakPolarHBondContact O-CB 3.16Å; Q771-S775 PolarHBondContact O-N 3.2Å; Q771-S775 PolarHBondContact O-OG 3.18Å; N772-S775 VanDerWaalsContact CA-OG 3.28Å; N772-S775 WeakPolarHBondContact CA-OG 3.47Å; N772-S775 PolarHBondContact O-OG 3.3Å; S775-A777 VanDerWaalsContact C-N 3.34Å; S775-A777 PolarHBondContact O-N 3.32Å; S775-I778 PolarHBondContact O-N 3.46Å; S775-G779 PolarHBondContact O-N 3.3Å; S775-A780 CarbonylContact C-O 3.58Å; S775-A780 PolarHBondContact O-N 3.24Å; S775-A780 VanDerWaalsContact O-O 3.09Å
776K66.6Low70.2Confident160 Ų16061.3 Ų61.370%0.69635%0.348SS*.Hα-helixtrans-57.4-42.8173-74.9174.6-176.6-178.80112.9N772 A773 Q774 G779N772-K776 WeakPolarHBondContact O-CB 3.32Å; N772-K776 WeakPolarHBondContact O-CD 3.46Å; N772-K776 WeakPolarHBondContact O-CG 3.18Å; N772-K776 PolarHBondContact O-N 3.35Å; A773-K776 PolarHBondContact O-N 3.39Å; Q774-K776 PolarHBondContact O-N 3.38Å; K776-G779 PolarHBondContact O-N 3.21Å
777A60.8Low70Confident89 Ų8963.8 Ų63.874%0.73637%0.365SS*.Hα-helixtrans-70-34.8-179.400000113.1A773 Q774 S775 G779A773-A777 WeakPolarHBondContact O-CB 3.19Å; A773-A777 PolarHBondContact O-N 3.49Å; Q774-A777 PolarHBondContact O-N 3.04Å; Q774-A777 VanDerWaalsContact O-N 3.1Å; S775-A777 VanDerWaalsContact C-N 3.34Å; S775-A777 PolarHBondContact O-N 3.32Å; A777-G779 PolarHBondContact O-N 3.05Å
778I61.3Low69.9Low51 Ų5164.9 Ų64.926%0.26237%0.368SS..Hα-helixtrans-75.1-17.7175.5-65.4166.1000110.6Q774 S775 A780 K875Q774-I778 WeakPolarHBondContact O-CB 3.45Å; Q774-I778 VanDerWaalsContact O-CG1 3.24Å; Q774-I778 WeakPolarHBondContact O-CG1 3.47Å; Q774-I778 PolarHBondContact O-N 2.84Å; S775-I778 PolarHBondContact O-N 3.46Å; I778-A780 HydrophobicContact CB-CB 4.41Å; I778-A780 HydrophobicContact CG2-CB 4.17Å; I778-K875 HydrophobicContact CG2-CB 4.05Å; I778-K875 HydrophobicContact CG2-CD 4.47Å; I778-K875 HydrophobicContact CG2-CG 4.09Å; I778-K875 WeakPolarHBondContact O-CD 3.43Å; I778-K875 WeakPolarHBondContact O-CE 3.47Å
779G54.6Low70Confident58 Ų5865.1 Ų65.160%0.59837%0.369SS*.THydrogen-bonded Turntrans75.714.1-171.100000112.4S775 K776 A777S775-G779 PolarHBondContact O-N 3.3Å; K776-G779 PolarHBondContact O-N 3.21Å; A777-G779 PolarHBondContact O-N 3.05Å
780A54.8Low70Confident9 Ų965.5 Ų65.57%0.07437%0.369CS..PPolyproline II helixtrans-76.7120.9173.300000108.5S775 I778 L850S775-A780 CarbonylContact C-O 3.58Å; S775-A780 PolarHBondContact O-N 3.24Å; S775-A780 VanDerWaalsContact O-O 3.09Å; I778-A780 HydrophobicContact CB-CB 4.41Å; I778-A780 HydrophobicContact CG2-CB 4.17Å; A780-L850 HydrophobicContact CB-CD2 3.31Å; A780-L850 HydrophobicContact CB-CG 4.5Å
781P53Low70.1Confident64 Ų6465.3 Ų65.342%0.41637%0.369SS..PPolyproline II helixtrans-59.7150.8172.623.3-29000110.4
782K53.6Low70.5Confident129 Ų12961.8 Ų61.856%0.56136%0.356SS*.PPolyproline II helixtrans-47.3152.1177.8-86.8-177.6169-173.10111.8N772 P784N772-K782 WeakPolarHBondContact OD1-CE 3.38Å; K782-P784 WeakPolarHBondContact O-CD 3.38Å
783I63.3Low71Confident68 Ų6859.1 Ų59.135%0.34934%0.341SS..PPolyproline II helixtrans-49120.3160-56.2172.3000106.4N785 T843I783-N785 PolarHBondContact O-N 3.19Å; I783-T843 HydrophobicContact CG2-CG2 4.29Å
784P65.5Low71.5Confident17 Ų1758.1 Ų58.111%0.1133%0.329CS..PPolyproline II helixtrans-61.9136.6179.824.9-33.1000109.1K782 V786 K839 T843 F849K782-P784 WeakPolarHBondContact O-CD 3.38Å; P784-V786 HydrophobicContact CB-CG2 4.29Å; P784-V786 PolarHBondContact O-N 3.49Å; P784-K839 HydrophobicContact CB-CB 3.71Å; P784-K839 HydrophobicContact CB-CD 3.98Å; P784-K839 HydrophobicContact CB-CG 3.79Å; P784-K839 HydrophobicContact CG-CB 3.5Å; P784-K839 HydrophobicContact CG-CD 4.47Å; P784-K839 HydrophobicContact CG-CG 3.73Å; P784-K839 WeakPolarHBondContact CG-O 3.19Å; P784-T843 PolarHBondContact O-OG1 3.35Å; P784-F849 HydrophobicContact CG-CD1 4.35Å; P784-F849 HydrophobicContact CG-CG 4.38Å
785N73Confident72.2Confident146 Ų14660.7 Ų60.778%0.78134%0.341SS*.  trans-75.925.9177.8-69.2-0.6000112.8I783I783-N785 PolarHBondContact O-N 3.19Å
786V82.6Confident73.2Confident26 Ų2665.8 Ų65.816%0.15836%0.362CS..  trans-92.7122-176.6-175.90000108.1P784 D790 K839 A840 T843P784-V786 HydrophobicContact CB-CG2 4.29Å; P784-V786 PolarHBondContact O-N 3.49Å; V786-D790 WeakPolarHBondContact CA-OD2 3.26Å; V786-D790 HydrophobicContact CG1-CB 3.9Å; V786-K839 HydrophobicContact CB-CB 4.31Å; V786-K839 HydrophobicContact CG2-CB 4.29Å; V786-A840 HydrophobicContact CG1-CB 4.18Å; V786-T843 VanDerWaalsContact O-CB 3.23Å; V786-T843 WeakPolarHBondContact O-CB 3.5Å; V786-T843 PolarHBondContact O-OG1 3.21Å; V786-T843 VanDerWaalsContact O-OG1 3.11Å
787C84.9Confident74.2Confident53 Ų5358.6 Ų58.636%0.35833%0.332SS..  trans-98.9167.5177.9-60.20000111E789 D790C787-E789 PolarHBondContact O-N 3.48Å; C787-E789 VanDerWaalsContact O-N 3.12Å; C787-D790 PolarHBondContact N-OD2 2.8Å; C787-D790 WeakPolarHBondContact O-CB 3.23Å; C787-D790 PolarHBondContact O-N 2.71Å
788W84.9Confident75.5Confident32 Ų3255.9 Ų55.912%0.12130%0.303CS..G310 helixtrans-57.7-27174.1-83.6136.5000113.5D790 V791 K798 L802 L837 A840 V841 E844W788-D790 VanDerWaalsContact C-N 3.25Å; W788-D790 PolarHBondContact O-N 3.23Å; W788-V791 PolarHBondContact O-N 3.26Å; W788-V791 VanDerWaalsContact O-O 3.08Å; W788-K798 HydrophobicContact CE3-CD 3.73Å; W788-K798 HydrophobicContact CE3-CG 4.03Å; W788-K798 HydrophobicContact CH2-CB 4.25Å; W788-K798 HydrophobicContact CH2-CG 4.12Å; W788-K798 HydrophobicContact CZ3-CB 4.12Å; W788-K798 HydrophobicContact CZ3-CD 3.78Å; W788-K798 HydrophobicContact CZ3-CG 3.53Å; W788-L802 HydrophobicContact CZ2-CD1 4.02Å; W788-L802 HydrophobicContact CZ2-CD2 3.71Å; W788-L802 HydrophobicContact CZ2-CG 3.74Å; W788-L837 HydrophobicContact CH2-CD1 4.03Å; W788-L837 HydrophobicContact CZ3-CD1 3.6Å; W788-A840 HydrophobicContact CD2-CB 4.38Å; W788-A840 HydrophobicContact CE3-CB 4.01Å; W788-A840 HydrophobicContact CZ3-CB 4.2Å; W788-V841 HydrophobicContact CH2-CG2 3.39Å; W788-V841 HydrophobicContact CZ2-CB 4.41Å; W788-V841 HydrophobicContact CZ2-CG2 3.63Å; W788-V841 HydrophobicContact CZ3-CG2 4.45Å; W788-E844 HydrophobicContact CB-CG 4.5Å; W788-E844 HydrophobicContact CD2-CG 4.26Å; W788-E844 HydrophobicContact CG-CG 3.73Å; W788-E844 PolarHBondContact N-OE1 2.97Å
789E85.2Confident76.7Confident125 Ų12560.7 Ų60.758%0.58432%0.318SS*.G310 helixtrans-70.5-21.5179-45.7-174.6-178.300113.4C787 V791 R972C787-E789 PolarHBondContact O-N 3.48Å; C787-E789 VanDerWaalsContact O-N 3.12Å; E789-V791 VanDerWaalsContact C-N 3.28Å; E789-R972 IonicContact OE2-CZ 3.44Å; E789-R972 IonicContact OE2-NH1 3.98Å; E789-R972 PolarHBondContact OE2-NH1 3.46Å; E789-R972 IonicContact OE2-NH2 2.64Å
790D84.6Confident78.2Confident66 Ų6659.9 Ų59.935%0.35330%0.299SS..G310 helixtrans-80.2-13.5176.1-63-39.8000112.1V786 C787 W788V786-D790 WeakPolarHBondContact CA-OD2 3.26Å; V786-D790 HydrophobicContact CG1-CB 3.9Å; C787-D790 PolarHBondContact N-OD2 2.8Å; C787-D790 WeakPolarHBondContact O-CB 3.23Å; C787-D790 PolarHBondContact O-N 2.71Å; W788-D790 VanDerWaalsContact C-N 3.25Å; W788-D790 PolarHBondContact O-N 3.23Å
791V86.4Confident79.7Confident17 Ų1759.5 Ų59.510%0.10330%0.296CS..SBendtrans-105.1105.2177.9-176.80000108.1W788 E789 K798 L837 A840W788-V791 PolarHBondContact O-N 3.26Å; W788-V791 VanDerWaalsContact O-O 3.08Å; E789-V791 VanDerWaalsContact C-N 3.28Å; V791-K798 WeakPolarHBondContact O-CE 3.39Å; V791-K798 PolarHBondContact O-NZ 3.42Å; V791-L837 HydrophobicContact CG1-CD1 4.26Å; V791-A840 HydrophobicContact CG2-CB 3.89Å
792G83.3Confident81.2Confident12 Ų1258.1 Ų58.112%0.12429%0.285CS..  trans-82.3148.7174.800000113.2V966G792-V966 VanDerWaalsContact O-CG2 3.23Å; G792-V966 WeakPolarHBondContact O-CG2 3.16Å
793G84.3Confident82.6Confident0 Ų057 Ų570%029%0.285CS..SBendtrans70.1-160.6176.700000115.1E795 K798 Q965G793-E795 VanDerWaalsContact C-N 3.33Å; G793-E795 PolarHBondContact O-N 3.33Å; G793-K798 WeakPolarHBondContact O-CE 3.35Å; G793-K798 PolarHBondContact O-NZ 3.27Å; G793-Q965 VanDerWaalsContact N-OE1 3.1Å
794L83.6Confident83.4Confident30 Ų3054.4 Ų54.416%0.15727%0.272CS..  trans57.534.1173.7-64.4163.3000115.1H796 V797 K798 V954L794-H796 VanDerWaalsContact C-N 3.26Å; L794-H796 PolarHBondContact O-N 2.95Å; L794-H796 VanDerWaalsContact O-N 3.15Å; L794-V797 HydrophobicContact CB-CB 4.25Å; L794-V797 HydrophobicContact CD2-CG2 4.31Å; L794-V797 WeakPolarHBondContact O-CB 3.18Å; L794-V797 PolarHBondContact O-N 3.41Å; L794-K798 WeakPolarHBondContact O-CG 3.45Å; L794-K798 PolarHBondContact O-N 2.86Å; L794-V954 HydrophobicContact CD1-CG1 3.92Å; L794-V954 HydrophobicContact CD2-CG1 4.43Å
795E84.7Confident84.2Confident103 Ų10353.7 Ų53.748%0.48127%0.267SS..Hα-helixtrans-60.1-29.1-173.7-81156.7172.900115G793 R799G793-E795 VanDerWaalsContact C-N 3.33Å; G793-E795 PolarHBondContact O-N 3.33Å; E795-R799 WeakPolarHBondContact O-CG 3.3Å; E795-R799 PolarHBondContact O-N 3.14Å; E795-R799 PolarHBondContact O-NE 3.11Å
796H85.9Confident84.6Confident126 Ų12650.4 Ų50.458%0.58325%0.247SC*.Hα-helixtrans-65.4-49.6172.7178.2-82.3000111.3L794 K798 R799 E800L794-H796 VanDerWaalsContact C-N 3.26Å; L794-H796 PolarHBondContact O-N 2.95Å; L794-H796 VanDerWaalsContact O-N 3.15Å; H796-K798 VanDerWaalsContact C-N 3.34Å; H796-K798 PolarHBondContact O-N 3.21Å; H796-R799 PolarHBondContact O-N 3.27Å; H796-E800 IonicContact CE1-OE2 2.79Å; H796-E800 PolarHBondContact O-N 3.13Å
797V87.1Confident84.3Confident9 Ų954 Ų546%0.05527%0.265CS..Hα-helixtrans-62.4-42.4179.71660000110.9L794 R799 E800 I801 L837 V952 V954L794-V797 HydrophobicContact CB-CB 4.25Å; L794-V797 HydrophobicContact CD2-CG2 4.31Å; L794-V797 WeakPolarHBondContact O-CB 3.18Å; L794-V797 PolarHBondContact O-N 3.41Å; V797-R799 PolarHBondContact O-N 3.38Å; V797-E800 PolarHBondContact O-N 2.86Å; V797-I801 HydrophobicContact CG1-CD1 3.79Å; V797-I801 WeakPolarHBondContact O-CG1 3.37Å; V797-I801 PolarHBondContact O-N 2.84Å; V797-I801 VanDerWaalsContact O-N 3.1Å; V797-L837 HydrophobicContact CG1-CD2 3.56Å; V797-V952 HydrophobicContact CB-CG1 4.13Å; V797-V952 HydrophobicContact CG1-CG1 3.68Å; V797-V952 HydrophobicContact CG2-CG1 3.83Å; V797-V954 HydrophobicContact CG1-CG2 4.31Å
798K87.9Confident83.9Confident32 Ų3252.8 Ų52.814%0.13926%0.256CS..Hα-helixtrans-58.6-48.1176.4-66.3-173.8178.7174.60111.9W788 V791 G793 L794 H796 I801 L802 L837W788-K798 HydrophobicContact CE3-CD 3.73Å; W788-K798 HydrophobicContact CE3-CG 4.03Å; W788-K798 HydrophobicContact CH2-CB 4.25Å; W788-K798 HydrophobicContact CH2-CG 4.12Å; W788-K798 HydrophobicContact CZ3-CB 4.12Å; W788-K798 HydrophobicContact CZ3-CD 3.78Å; W788-K798 HydrophobicContact CZ3-CG 3.53Å; V791-K798 WeakPolarHBondContact O-CE 3.39Å; V791-K798 PolarHBondContact O-NZ 3.42Å; G793-K798 WeakPolarHBondContact O-CE 3.35Å; G793-K798 PolarHBondContact O-NZ 3.27Å; L794-K798 WeakPolarHBondContact O-CG 3.45Å; L794-K798 PolarHBondContact O-N 2.86Å; H796-K798 VanDerWaalsContact C-N 3.34Å; H796-K798 PolarHBondContact O-N 3.21Å; K798-I801 PolarHBondContact O-N 3.4Å; K798-L802 WeakPolarHBondContact O-CB 3.4Å; K798-L802 VanDerWaalsContact O-CG 3.29Å; K798-L802 WeakPolarHBondContact O-CG 3.41Å; K798-L802 PolarHBondContact O-N 3.01Å; K798-L837 HydrophobicContact CG-CD1 4.38Å
799R87.6Confident83.4Confident152 Ų15254.3 Ų54.357%0.57427%0.266SS*.Hα-helixtrans-61-46.3178.6-82.3-178.6-81.6154.8-11.9111.9E795 H796 V797 I801 L802 D803E795-R799 WeakPolarHBondContact O-CG 3.3Å; E795-R799 PolarHBondContact O-N 3.14Å; E795-R799 PolarHBondContact O-NE 3.11Å; H796-R799 PolarHBondContact O-N 3.27Å; V797-R799 PolarHBondContact O-N 3.38Å; R799-I801 PolarHBondContact O-N 2.86Å; R799-L802 PolarHBondContact O-N 2.76Å; R799-D803 WeakPolarHBondContact O-CB 3.5Å; R799-D803 VanDerWaalsContact O-CG 3.28Å; R799-D803 PolarHBondContact O-N 3.2Å
800E85.9Confident82.9Confident42 Ų4254.2 Ų54.220%0.19627%0.266CS..Hα-helixtrans-64.1-39.4-178.3-173.5168.2-162.300112.9H796 V797 T804 K950 V952H796-E800 IonicContact CE1-OE2 2.79Å; H796-E800 PolarHBondContact O-N 3.13Å; V797-E800 PolarHBondContact O-N 2.86Å; E800-T804 WeakPolarHBondContact O-CB 3.42Å; E800-T804 PolarHBondContact O-N 2.91Å; E800-T804 VanDerWaalsContact O-N 3.14Å; E800-T804 PolarHBondContact O-OG1 2.77Å; E800-K950 IonicContact OE1-NZ 3.33Å; E800-K950 PolarHBondContact OE1-NZ 2.66Å; E800-V952 HydrophobicContact CG-CG2 4.48Å
801I86.1Confident82.3Confident1 Ų158.8 Ų58.81%0.00528%0.278CS..Hα-helixtrans-70.5-42.3177-61.5166.8000110.7V797 K798 R799 T804 V805 V824 L826 L837 V841V797-I801 HydrophobicContact CG1-CD1 3.79Å; V797-I801 WeakPolarHBondContact O-CG1 3.37Å; V797-I801 PolarHBondContact O-N 2.84Å; V797-I801 VanDerWaalsContact O-N 3.1Å; K798-I801 PolarHBondContact O-N 3.4Å; R799-I801 PolarHBondContact O-N 2.86Å; I801-T804 PolarHBondContact O-N 2.86Å; I801-V805 HydrophobicContact CG2-CG2 4.26Å; I801-V805 WeakPolarHBondContact O-CG2 3.09Å; I801-V805 PolarHBondContact O-N 3.16Å; I801-V824 HydrophobicContact CG1-CG1 4.48Å; I801-L826 HydrophobicContact CD1-CD2 3.73Å; I801-L826 HydrophobicContact CG1-CD2 4.45Å; I801-L837 HydrophobicContact CD1-CD2 3.51Å; I801-L837 HydrophobicContact CD1-CG 3.96Å; I801-V841 HydrophobicContact CB-CG2 4.44Å; I801-V841 HydrophobicContact CG2-CB 4.37Å; I801-V841 HydrophobicContact CG2-CG1 3.91Å; I801-V841 HydrophobicContact CG2-CG2 3.55Å
802L84.4Confident81.5Confident35 Ų3561.9 Ų61.918%0.18330%0.299CS..Hα-helixtrans-60.7-46.7175.9-77172000111.5W788 K798 R799 T804 V805 Q806W788-L802 HydrophobicContact CZ2-CD1 4.02Å; W788-L802 HydrophobicContact CZ2-CD2 3.71Å; W788-L802 HydrophobicContact CZ2-CG 3.74Å; K798-L802 WeakPolarHBondContact O-CB 3.4Å; K798-L802 VanDerWaalsContact O-CG 3.29Å; K798-L802 WeakPolarHBondContact O-CG 3.41Å; K798-L802 PolarHBondContact O-N 3.01Å; R799-L802 PolarHBondContact O-N 2.76Å; L802-T804 PolarHBondContact O-N 2.6Å; L802-V805 PolarHBondContact O-N 2.57Å; L802-Q806 WeakPolarHBondContact O-CA 3.42Å; L802-Q806 WeakPolarHBondContact O-CB 3.33Å; L802-Q806 PolarHBondContact O-N 3.34Å
803D82.9Confident80.8Confident106 Ų10669 Ų6957%0.56733%0.329SS*.Hα-helixtrans-60.3-34.9177-71.5-18.4000111.6R799 L807R799-D803 WeakPolarHBondContact O-CB 3.5Å; R799-D803 VanDerWaalsContact O-CG 3.28Å; R799-D803 PolarHBondContact O-N 3.2Å; D803-L807 WeakPolarHBondContact O-CB 3.5Å
804T80.9Confident79.8Confident12 Ų1274.1 Ų74.17%0.07436%0.356CS..Hα-helixtrans-74.9-36.5-179.7-54.10000112.6E800 I801 L802 P808 R821 V824E800-T804 WeakPolarHBondContact O-CB 3.42Å; E800-T804 PolarHBondContact O-N 2.91Å; E800-T804 VanDerWaalsContact O-N 3.14Å; E800-T804 PolarHBondContact O-OG1 2.77Å; I801-T804 PolarHBondContact O-N 2.86Å; L802-T804 PolarHBondContact O-N 2.6Å; T804-P808 WeakPolarHBondContact O-CD 3.44Å; T804-P808 VanDerWaalsContact O-CG 3.3Å; T804-P808 WeakPolarHBondContact O-CG 3.38Å; T804-R821 HydrophobicContact CG2-CB 4.44Å; T804-V824 HydrophobicContact CG2-CG2 3.78Å
805V81.1Confident78.7Confident2 Ų273.8 Ų73.81%0.01235%0.354CS..Hα-helixtrans-95.6-38.7-175.5179.70000112.7I801 L802 P808 L809 V841 C845 M847 F927I801-V805 HydrophobicContact CG2-CG2 4.26Å; I801-V805 WeakPolarHBondContact O-CG2 3.09Å; I801-V805 PolarHBondContact O-N 3.16Å; L802-V805 PolarHBondContact O-N 2.57Å; V805-P808 WeakPolarHBondContact O-CD 3.25Å; V805-L809 HydrophobicContact CG1-CD1 4.36Å; V805-L809 WeakPolarHBondContact O-CD1 3.47Å; V805-L809 WeakPolarHBondContact O-CG 3.32Å; V805-V841 HydrophobicContact CB-CG1 4.45Å; V805-V841 HydrophobicContact CG1-CG1 4.41Å; V805-V841 HydrophobicContact CG2-CG1 4.21Å; V805-C845 HydrophobicContact CG1-CB 4.4Å; V805-M847 HydrophobicContact CG1-CE 4.13Å; V805-M847 HydrophobicContact CG1-SD 3.79Å; V805-F927 HydrophobicContact CG1-CD2 4.45Å; V805-F927 HydrophobicContact CG1-CG 4.42Å
806Q81.4Confident77.5Confident77 Ų7773.6 Ų73.636%0.3636%0.364SS..Hα-helixtrans-79.1-39.4-175.2-167.5177.914.300112.5L802 L809 Q810L802-Q806 WeakPolarHBondContact O-CA 3.42Å; L802-Q806 WeakPolarHBondContact O-CB 3.33Å; L802-Q806 PolarHBondContact O-N 3.34Å; Q806-L809 PolarHBondContact O-N 3.49Å; Q806-L809 VanDerWaalsContact O-N 3.16Å; Q806-Q810 HydrophobicContact CG-CG 4.22Å; Q806-Q810 PolarHBondContact O-N 2.62Å
807L78.1Confident76.1Confident101 Ų10174.9 Ų74.953%0.52937%0.374SS..Hα-helixtrans-58.3-43.3-179-167.292.8000111.5D803 L809 Q810 R811D803-L807 WeakPolarHBondContact O-CB 3.5Å; L807-L809 PolarHBondContact O-N 3.33Å; L807-Q810 PolarHBondContact O-N 3.43Å; L807-R811 PolarHBondContact O-N 3.03Å
808P76.1Confident74.6Confident28 Ų2877.5 Ų77.518%0.18240%0.404CS..Hα-helixtrans-69.7-26176.6-21.936.9000116.5T804 V805 L815 F927T804-P808 WeakPolarHBondContact O-CD 3.44Å; T804-P808 VanDerWaalsContact O-CG 3.3Å; T804-P808 WeakPolarHBondContact O-CG 3.38Å; V805-P808 WeakPolarHBondContact O-CD 3.25Å; P808-L815 HydrophobicContact CB-CD1 3.42Å; P808-L815 VanDerWaalsContact CB-CD1 3.42Å; P808-L815 HydrophobicContact CG-CD1 3.75Å; P808-F927 HydrophobicContact CB-CE1 3.99Å; P808-F927 HydrophobicContact CB-CZ 3.89Å; P808-F927 HydrophobicContact CG-CE1 4.04Å; P808-F927 HydrophobicContact CG-CZ 4.39Å
809L74.2Confident73.1Confident64 Ų6481.5 Ų81.534%0.33543%0.426SS..Hα-helixtrans-75.8-40.3175.7-67.1165000112.4V805 Q806 L807 C845 M847 P881 F927V805-L809 HydrophobicContact CG1-CD1 4.36Å; V805-L809 WeakPolarHBondContact O-CD1 3.47Å; V805-L809 WeakPolarHBondContact O-CG 3.32Å; Q806-L809 PolarHBondContact O-N 3.49Å; Q806-L809 VanDerWaalsContact O-N 3.16Å; L807-L809 PolarHBondContact O-N 3.33Å; L809-C845 HydrophobicContact CD1-CB 4.08Å; L809-M847 HydrophobicContact CD1-CE 3.15Å; L809-M847 HydrophobicContact CD1-SD 4.04Å; L809-M847 HydrophobicContact CD2-CE 3.28Å; L809-M847 HydrophobicContact CG-CE 3.56Å; L809-P881 HydrophobicContact CD2-CB 4.29Å; L809-F927 HydrophobicContact CD2-CE2 4.1Å; L809-F927 HydrophobicContact CD2-CZ 4.49Å; L809-F927 HydrophobicContact CG-CE2 4.3Å; L809-F927 HydrophobicContact CG-CZ 4.37Å
810Q74.9Confident71.9Confident124 Ų12477.7 Ų77.758%0.57942%0.417SS*.Hα-helixtrans-75-34.8-176.2-71.7-176.2-5.300112.6Q806 L807Q806-Q810 HydrophobicContact CG-CG 4.22Å; Q806-Q810 PolarHBondContact O-N 2.62Å; L807-Q810 PolarHBondContact O-N 3.43Å
811R71.5Confident70.9Confident161 Ų16181.4 Ų81.461%0.60843%0.429SS*.  trans-13769.3-175-61-169.6-175.6169.51.4111.9L807 E813 L814L807-R811 PolarHBondContact O-N 3.03Å; R811-E813 PolarHBondContact O-N 2.97Å; R811-L814 HydrophobicContact CB-CB 4.43Å; R811-L814 HydrophobicContact CB-CD1 4.05Å; R811-L814 HydrophobicContact CB-CG 4.26Å; R811-L814 VanDerWaalsContact CD-CD1 3.46Å; R811-L814 HydrophobicContact CG-CD1 4.39Å; R811-L814 PolarHBondContact O-N 2.87Å
812P69.8Low70.1Confident82 Ų8282.2 Ų82.253%0.53243%0.434SS..Hα-helixtrans-60.5-31.2177.824.6-33.9000112.5L814 L815P812-L814 PolarHBondContact O-N 3.2Å; P812-L815 PolarHBondContact O-N 3.32Å
813E67.6Low70.2Confident162 Ų16280.7 Ų80.776%0.75743%0.426SS*.Hα-helixtrans-62.8-37.6-178.9-63.2-178.5-177.600113.3R811 L815 S816R811-E813 PolarHBondContact O-N 2.97Å; E813-L815 VanDerWaalsContact C-N 3.26Å; E813-L815 PolarHBondContact O-N 3.22Å; E813-S816 PolarHBondContact O-OG 3.34Å
814L63.4Low70.5Confident107 Ų10775.8 Ų75.856%0.5640%0.401SS*.Hα-helixtrans-73.3-18.9-178.1-66.6-179.6000113.2R811 P812R811-L814 HydrophobicContact CB-CB 4.43Å; R811-L814 HydrophobicContact CB-CD1 4.05Å; R811-L814 HydrophobicContact CB-CG 4.26Å; R811-L814 VanDerWaalsContact CD-CD1 3.46Å; R811-L814 HydrophobicContact CG-CD1 4.39Å; R811-L814 PolarHBondContact O-N 2.87Å; P812-L814 PolarHBondContact O-N 3.2Å
815L61.7Low71Confident23 Ų2375.3 Ų75.312%0.1240%0.397CS..Hα-helixtrans-93.5-13.2-177-69.1156.4000113.3P808 P812 E813 L817 G818 L819P808-L815 HydrophobicContact CB-CD1 3.42Å; P808-L815 VanDerWaalsContact CB-CD1 3.42Å; P808-L815 HydrophobicContact CG-CD1 3.75Å; P812-L815 PolarHBondContact O-N 3.32Å; E813-L815 VanDerWaalsContact C-N 3.26Å; E813-L815 PolarHBondContact O-N 3.22Å; L815-L817 PolarHBondContact O-N 2.82Å; L815-G818 PolarHBondContact O-N 3.45Å; L815-L819 HydrophobicContact CD2-CB 4.2Å; L815-L819 WeakPolarHBondContact CD2-O 3.36Å; L815-L819 PolarHBondContact O-N 2.94Å
816S58.1Low71.5Confident100 Ų10075.2 Ų75.270%0.69940%0.397SS*.THydrogen-bonded Turntrans-57-13.2169.867.90000113.6E813 G818E813-S816 PolarHBondContact O-OG 3.34Å; S816-G818 PolarHBondContact O-N 2.94Å
817L56.4Low72Confident152 Ų15271.8 Ų71.880%0.79638%0.381SS*.THydrogen-bonded Turntrans-77.97.6173.7-67.8166.1000114.6L815L815-L817 PolarHBondContact O-N 2.82Å
818G56.1Low72.6Confident65 Ų6567 Ų6767%0.6736%0.355SS*.THydrogen-bonded Turntrans104.318.5167.600000116.2L815 S816L815-G818 PolarHBondContact O-N 3.45Å; S816-G818 PolarHBondContact O-N 2.94Å
819L57.6Low73.3Confident115 Ų11565.7 Ų65.760%0.60235%0.347SS*.  trans-113.654.8179.1-68174.1000112L815 R821L815-L819 HydrophobicContact CD2-CB 4.2Å; L815-L819 WeakPolarHBondContact CD2-O 3.36Å; L815-L819 PolarHBondContact O-N 2.94Å; L819-R821 PolarHBondContact O-N 2.88Å; L819-R821 VanDerWaalsContact O-N 3.08Å
820N61.8Low73.9Confident72 Ų7265.9 Ų65.939%0.38535%0.352SS..  trans-80.687.1174.2-75.3-4.9000110.5T822 Q921N820-T822 HydrophobicContact CB-CG2 4.4Å; N820-T822 PolarHBondContact O-N 3.11Å; N820-Q921 PolarHBondContact ND2-O 2.87Å; N820-Q921 VanDerWaalsContact ND2-O 3.07Å
821R65.5Low74.4Confident121 Ų12161.5 Ų61.546%0.45734%0.341SS..  trans-77.6104.3170-65.3-177.7-178.5167.42.2109.5T804 L819 D949T804-R821 HydrophobicContact CG2-CB 4.44Å; L819-R821 PolarHBondContact O-N 2.88Å; L819-R821 VanDerWaalsContact O-N 3.08Å; R821-D949 WeakPolarHBondContact CA-OD2 3.37Å
822T68.9Low75.1Confident18 Ų1854.7 Ų54.711%0.1132%0.317CS..  trans-101-18.6-170.650.50000114.1N820 V928N820-T822 HydrophobicContact CB-CG2 4.4Å; N820-T822 PolarHBondContact O-N 3.11Å; T822-V928 PolarHBondContact O-N 3.48Å
823G85.3Confident75.9Confident2 Ų252 Ų522%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-132.4135.5-171.600000116.3V928 R947 D949 K950G823-V928 CarbonylContact C-O 3.56Å; G823-V928 VanDerWaalsContact CA-O 3.27Å; G823-V928 WeakPolarHBondContact CA-O 3.32Å; G823-R947 VanDerWaalsContact CA-O 3.26Å; G823-R947 WeakPolarHBondContact CA-O 3.24Å; G823-R947 PolarHBondContact N-O 3.04Å; G823-D949 PolarHBondContact O-N 3.35Å; G823-D949 VanDerWaalsContact O-N 3.11Å; G823-K950 PolarHBondContact O-N 3.41Å
824V89.9Confident77Confident4 Ų444.8 Ų44.82%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-119.2130.6172.2-178.90000109.6I801 T804 L826 V928 I929 G930 K950 V952I801-V824 HydrophobicContact CG1-CG1 4.48Å; T804-V824 HydrophobicContact CG2-CG2 3.78Å; V824-L826 HydrophobicContact CG1-CD2 3.97Å; V824-V928 PolarHBondContact N-O 3.28Å; V824-I929 CarbonylContact O-C 3.6Å; V824-I929 VanDerWaalsContact O-CA 3.3Å; V824-I929 WeakPolarHBondContact O-CA 3.24Å; V824-G930 PolarHBondContact O-N 3.33Å; V824-K950 CarbonylContact C-O 3.57Å; V824-K950 WeakPolarHBondContact CA-O 3.41Å; V824-K950 HydrophobicContact CG2-CB 4.34Å; V824-V952 HydrophobicContact CG1-CG2 3.86Å
825L91.4Very high78.2Confident1 Ų141.6 Ų41.61%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-109115172.6-174.765.5000110.3L889 T932 L938 L943 F948 K950 L951 V952L825-L889 HydrophobicContact CD1-CD2 3.77Å; L825-T932 HydrophobicContact CD1-CG2 4.26Å; L825-L938 HydrophobicContact CD2-CD2 4.46Å; L825-L943 HydrophobicContact CD2-CD2 3.64Å; L825-F948 HydrophobicContact CB-CB 4.05Å; L825-F948 HydrophobicContact CB-CD1 4.03Å; L825-F948 HydrophobicContact CB-CG 4.1Å; L825-K950 PolarHBondContact N-O 3.25Å; L825-L951 HydrophobicContact CB-CD2 3.91Å; L825-L951 HydrophobicContact CD2-CD2 3.62Å; L825-L951 HydrophobicContact CG-CD2 4.17Å; L825-V952 PolarHBondContact O-N 3.33Å
826L92.8Very high79.5Confident1 Ų144.8 Ų44.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-89.2122.9173.5-53.6180000109.5I801 V824 K834 L837 A838 I929 G930 A931 T932 V952 V954I801-L826 HydrophobicContact CD1-CD2 3.73Å; I801-L826 HydrophobicContact CG1-CD2 4.45Å; V824-L826 HydrophobicContact CG1-CD2 3.97Å; L826-K834 HydrophobicContact CB-CD 4.32Å; L826-K834 HydrophobicContact CB-CG 4.27Å; L826-L837 HydrophobicContact CD1-CD2 4.21Å; L826-L837 HydrophobicContact CD2-CD2 4.34Å; L826-A838 HydrophobicContact CD1-CB 4.49Å; L826-I929 HydrophobicContact CD1-CG2 3.79Å; L826-I929 HydrophobicContact CG-CG2 3.96Å; L826-G930 PolarHBondContact N-O 2.88Å; L826-A931 WeakPolarHBondContact O-CA 3.32Å; L826-T932 PolarHBondContact O-N 3.19Å; L826-V952 HydrophobicContact CD2-CB 3.97Å; L826-V952 HydrophobicContact CD2-CG1 4.35Å; L826-V954 HydrophobicContact CB-CG2 4.37Å; L826-V954 HydrophobicContact CD2-CG2 4.34Å
827Y91.8Very high81Confident4 Ų440.1 Ų40.12%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-135.7151.8176.269.4-81.7000112.8T932 P935 L951 V952 Y953 V954 H1058 L1061Y827-T932 VanDerWaalsContact CA-O 3.31Å; Y827-T932 WeakPolarHBondContact CA-O 3.33Å; Y827-P935 HydrophobicContact CD2-CB 4.48Å; Y827-P935 HydrophobicContact CD2-CG 3.96Å; Y827-P935 HydrophobicContact CG-CB 4.47Å; Y827-P935 HydrophobicContact CG-CG 4.37Å; Y827-L951 HydrophobicContact CD1-CD2 4.46Å; Y827-L951 HydrophobicContact CE1-CB 4.02Å; Y827-L951 HydrophobicContact CE1-CD2 4.35Å; Y827-V952 PolarHBondContact N-O 2.96Å; Y827-V952 VanDerWaalsContact N-O 3.1Å; Y827-Y953 AromaticContact CD2-CD2 3.89Å; Y827-Y953 HydrophobicContact CD2-CD2 3.89Å; Y827-Y953 AromaticContact CE2-CD2 3.55Å; Y827-Y953 HydrophobicContact CE2-CD2 3.55Å; Y827-Y953 HydrophobicContact CE2-CE2 4.45Å; Y827-Y953 HydrophobicContact CE2-CG 4.25Å; Y827-V954 PolarHBondContact O-N 2.81Å; Y827-H1058 AromaticContact CZ-ND1 3.85Å; Y827-H1058 PolarHBondContact OH-ND1 3.42Å; Y827-L1061 HydrophobicContact CD2-CD1 4.44Å; Y827-L1061 HydrophobicContact CE2-CD1 3.98Å
828G90.9Very high82.5Confident0 Ų033 Ų330%020%0.202CC..  trans159-174175.700000112.7K834G828-K834 PolarHBondContact O-NZ 3.18Å
829P89.3Confident84.1Confident2 Ų232.9 Ų32.91%0.01318%0.183CC..SBendtrans-61.7152179.922-29000112.6T832 K834 I956 V1046 Y1054P829-T832 HydrophobicContact CG-CG2 3.79Å; P829-T832 PolarHBondContact O-OG1 3.09Å; P829-K834 PolarHBondContact O-NZ 3.37Å; P829-I956 HydrophobicContact CG-CD1 4.26Å; P829-I956 HydrophobicContact CG-CG1 3.95Å; P829-V1046 HydrophobicContact CB-CG2 4.31Å; P829-Y1054 HydrophobicContact CB-CD2 4.03Å; P829-Y1054 HydrophobicContact CB-CE2 3.69Å; P829-Y1054 HydrophobicContact CG-CD2 4.41Å
830P87.7Confident85.5Confident68 Ų6827.4 Ų27.444%0.44215%0.154SC..THydrogen-bonded Turntrans-61.7151.6176.327.9-34.7000110.7T832P830-T832 PolarHBondContact O-N 3.39Å
831G85.3Confident86.7Confident32 Ų3224 Ų2433%0.3314%0.136SC..THydrogen-bonded Turntrans81.46.1176.700000116.2G833 G995 A996G831-G833 VanDerWaalsContact C-N 3.33Å; G831-G995 PolarHBondContact O-N 2.64Å; G831-A996 PolarHBondContact O-N 2.87Å
832T86.6Confident87.7Confident17 Ų1718.2 Ų18.210%0.10411%0.114CC..SBendtrans-87.16.917559.30000115P829 P830 K834 V954 I956P829-T832 HydrophobicContact CG-CG2 3.79Å; P829-T832 PolarHBondContact O-OG1 3.09Å; P830-T832 PolarHBondContact O-N 3.39Å; T832-K834 PolarHBondContact OG1-NZ 3.47Å; T832-V954 PolarHBondContact OG1-O 3.18Å; T832-V954 VanDerWaalsContact OG1-O 3.08Å; T832-I956 HydrophobicContact CG2-CG1 4.08Å
833G86Confident88.3Confident26 Ų2618.9 Ų18.927%0.26812%0.118SC..  trans80.523173.400000115.8G831 T835 L836 L837G831-G833 VanDerWaalsContact C-N 3.33Å; G833-T835 VanDerWaalsContact C-N 3.3Å; G833-T835 PolarHBondContact O-N 2.81Å; G833-L836 WeakPolarHBondContact O-CA 3.28Å; G833-L836 WeakPolarHBondContact O-CB 3.45Å; G833-L836 PolarHBondContact O-N 2.93Å; G833-L837 WeakPolarHBondContact O-CB 3.32Å; G833-L837 PolarHBondContact O-N 3.05Å
834K90.6Very high88.2Confident10 Ų1023.1 Ų23.14%0.04314%0.138CC..Hα-helixtrans-49-47.4175.1-73.5179.4-90.1-69.90113.3L826 G828 P829 T832 L837 A838 A931 N933 V954L826-K834 HydrophobicContact CB-CD 4.32Å; L826-K834 HydrophobicContact CB-CG 4.27Å; G828-K834 PolarHBondContact O-NZ 3.18Å; P829-K834 PolarHBondContact O-NZ 3.37Å; T832-K834 PolarHBondContact OG1-NZ 3.47Å; K834-L837 WeakPolarHBondContact O-CB 3.34Å; K834-L837 PolarHBondContact O-N 2.86Å; K834-A838 PolarHBondContact O-N 3.07Å; K834-A838 VanDerWaalsContact O-N 3.15Å; K834-A931 HydrophobicContact CB-CB 4.3Å; K834-N933 WeakPolarHBondContact CE-OD1 3.1Å; K834-V954 HydrophobicContact CG-CB 4.05Å; K834-V954 HydrophobicContact CG-CG1 4.28Å; K834-V954 HydrophobicContact CG-CG2 4.17Å
835T89.2Confident87.7Confident41 Ų4124.1 Ų24.125%0.25215%0.145SC..Hα-helixtrans-67.6-34.2177-44.60000112.5G833 K839 F885 D887G833-T835 VanDerWaalsContact C-N 3.3Å; G833-T835 PolarHBondContact O-N 2.81Å; T835-K839 VanDerWaalsContact O-CG 3.24Å; T835-K839 WeakPolarHBondContact O-CG 3.3Å; T835-K839 PolarHBondContact O-N 3.27Å; T835-F885 HydrophobicContact CG2-CE1 3.83Å; T835-F885 HydrophobicContact CG2-CZ 4.29Å; T835-D887 PolarHBondContact OG1-OD2 2.82Å
836L88.7Confident87Confident90 Ų9028.7 Ų28.747%0.47118%0.176SC..Hα-helixtrans-70.3-38.3176.2-69173.6000111.4G833 K839 A840G833-L836 WeakPolarHBondContact O-CA 3.28Å; G833-L836 WeakPolarHBondContact O-CB 3.45Å; G833-L836 PolarHBondContact O-N 2.93Å; L836-K839 WeakPolarHBondContact O-CB 3.45Å; L836-K839 PolarHBondContact O-N 3.04Å; L836-A840 PolarHBondContact O-N 3.14Å
837L89.7Confident86.3Confident2 Ų228.7 Ų28.71%0.0118%0.176CC..Hα-helixtrans-62.6-49.1177.9-175.768.7000111.6W788 V791 V797 K798 I801 L826 G833 K834 K839 A840 V841 V954W788-L837 HydrophobicContact CH2-CD1 4.03Å; W788-L837 HydrophobicContact CZ3-CD1 3.6Å; V791-L837 HydrophobicContact CG1-CD1 4.26Å; V797-L837 HydrophobicContact CG1-CD2 3.56Å; K798-L837 HydrophobicContact CG-CD1 4.38Å; I801-L837 HydrophobicContact CD1-CD2 3.51Å; I801-L837 HydrophobicContact CD1-CG 3.96Å; L826-L837 HydrophobicContact CD1-CD2 4.21Å; L826-L837 HydrophobicContact CD2-CD2 4.34Å; G833-L837 WeakPolarHBondContact O-CB 3.32Å; G833-L837 PolarHBondContact O-N 3.05Å; K834-L837 WeakPolarHBondContact O-CB 3.34Å; K834-L837 PolarHBondContact O-N 2.86Å; L837-K839 VanDerWaalsContact C-N 3.26Å; L837-K839 PolarHBondContact O-N 2.75Å; L837-A840 PolarHBondContact O-N 3.19Å; L837-V841 VanDerWaalsContact O-CG2 3.25Å; L837-V841 WeakPolarHBondContact O-CG2 3.44Å; L837-V841 PolarHBondContact O-N 3.32Å; L837-V954 HydrophobicContact CD2-CG2 4.22Å
838A88.1Confident85.6Confident1 Ų130.9 Ų30.91%0.00819%0.19CC..Hα-helixtrans-61.4-36.7177.200000112.4L826 K834 A842 F849 F885 I929L826-A838 HydrophobicContact CD1-CB 4.49Å; K834-A838 PolarHBondContact O-N 3.07Å; K834-A838 VanDerWaalsContact O-N 3.15Å; A838-A842 PolarHBondContact O-N 3.35Å; A838-F849 HydrophobicContact CB-CE2 4.27Å; A838-F885 HydrophobicContact CB-CD2 3.32Å; A838-F885 HydrophobicContact CB-CE2 3.36Å; A838-F885 HydrophobicContact CB-CG 4.03Å; A838-F885 HydrophobicContact CB-CZ 4.1Å; A838-I929 HydrophobicContact CB-CG2 4.22Å
839K88.2Confident85.3Confident64 Ų6431.1 Ų31.128%0.27819%0.191SC..Hα-helixtrans-64.5-47.5174.9-75.5176.4179.6178.50111.8P784 V786 T835 L836 L837 V841 A842 T843 F849P784-K839 HydrophobicContact CB-CB 3.71Å; P784-K839 HydrophobicContact CB-CD 3.98Å; P784-K839 HydrophobicContact CB-CG 3.79Å; P784-K839 HydrophobicContact CG-CB 3.5Å; P784-K839 HydrophobicContact CG-CD 4.47Å; P784-K839 HydrophobicContact CG-CG 3.73Å; P784-K839 WeakPolarHBondContact CG-O 3.19Å; V786-K839 HydrophobicContact CB-CB 4.31Å; V786-K839 HydrophobicContact CG2-CB 4.29Å; T835-K839 VanDerWaalsContact O-CG 3.24Å; T835-K839 WeakPolarHBondContact O-CG 3.3Å; T835-K839 PolarHBondContact O-N 3.27Å; L836-K839 WeakPolarHBondContact O-CB 3.45Å; L836-K839 PolarHBondContact O-N 3.04Å; L837-K839 VanDerWaalsContact C-N 3.26Å; L837-K839 PolarHBondContact O-N 2.75Å; K839-V841 VanDerWaalsContact C-N 3.32Å; K839-V841 PolarHBondContact O-N 3.01Å; K839-A842 PolarHBondContact O-N 3.48Å; K839-T843 PolarHBondContact O-N 3.37Å; K839-T843 PolarHBondContact O-OG1 3.4Å; K839-T843 VanDerWaalsContact O-OG1 3.06Å; K839-F849 HydrophobicContact CG-CE1 3.8Å; K839-F849 HydrophobicContact CG-CE2 4.41Å; K839-F849 HydrophobicContact CG-CZ 3.75Å
840A88.1Confident85.2Confident0 Ų031.6 Ų31.60%019%0.194CC..Hα-helixtrans-59.9-41.4178.400000112.4V786 W788 V791 L836 L837 A842 T843 E844V786-A840 HydrophobicContact CG1-CB 4.18Å; W788-A840 HydrophobicContact CD2-CB 4.38Å; W788-A840 HydrophobicContact CE3-CB 4.01Å; W788-A840 HydrophobicContact CZ3-CB 4.2Å; V791-A840 HydrophobicContact CG2-CB 3.89Å; L836-A840 PolarHBondContact O-N 3.14Å; L837-A840 PolarHBondContact O-N 3.19Å; A840-A842 VanDerWaalsContact C-N 3.32Å; A840-A842 PolarHBondContact O-N 3.11Å; A840-T843 PolarHBondContact O-N 3.12Å; A840-E844 WeakPolarHBondContact O-CB 3.29Å; A840-E844 VanDerWaalsContact O-CG 3.29Å; A840-E844 WeakPolarHBondContact O-CG 3.46Å; A840-E844 PolarHBondContact O-N 3.07Å
841V87.2Confident85.1Confident0 Ų030.1 Ų30.10%019%0.185CC..Hα-helixtrans-59.5-43.2176.9173.70000111.5W788 I801 V805 L837 K839 E844 C845W788-V841 HydrophobicContact CH2-CG2 3.39Å; W788-V841 HydrophobicContact CZ2-CB 4.41Å; W788-V841 HydrophobicContact CZ2-CG2 3.63Å; W788-V841 HydrophobicContact CZ3-CG2 4.45Å; I801-V841 HydrophobicContact CB-CG2 4.44Å; I801-V841 HydrophobicContact CG2-CB 4.37Å; I801-V841 HydrophobicContact CG2-CG1 3.91Å; I801-V841 HydrophobicContact CG2-CG2 3.55Å; V805-V841 HydrophobicContact CB-CG1 4.45Å; V805-V841 HydrophobicContact CG1-CG1 4.41Å; V805-V841 HydrophobicContact CG2-CG1 4.21Å; L837-V841 VanDerWaalsContact O-CG2 3.25Å; L837-V841 WeakPolarHBondContact O-CG2 3.44Å; L837-V841 PolarHBondContact O-N 3.32Å; K839-V841 VanDerWaalsContact C-N 3.32Å; K839-V841 PolarHBondContact O-N 3.01Å; V841-E844 PolarHBondContact O-N 2.69Å; V841-C845 WeakPolarHBondContact O-CB 3.36Å; V841-C845 PolarHBondContact O-N 2.9Å; V841-C845 PolarHBondContact O-SG 2.89Å; V841-C845 VanDerWaalsContact O-SG 3.35Å
842A85Confident85.2Confident0 Ų029.2 Ų29.20%017%0.173CC..Hα-helixtrans-65.5-39.9-179.700000112.2A838 K839 A840 S846 M847 F849A838-A842 PolarHBondContact O-N 3.35Å; K839-A842 PolarHBondContact O-N 3.48Å; A840-A842 VanDerWaalsContact C-N 3.32Å; A840-A842 PolarHBondContact O-N 3.11Å; A842-S846 PolarHBondContact O-N 2.88Å; A842-S846 VanDerWaalsContact O-N 3.11Å; A842-M847 PolarHBondContact O-N 2.78Å; A842-F849 HydrophobicContact CB-CB 3.91Å; A842-F849 HydrophobicContact CB-CD2 3.63Å; A842-F849 HydrophobicContact CB-CG 4.11Å
843T83.1Confident85.1Confident31 Ų3133.2 Ų33.219%0.1919%0.189CC..Hα-helixtrans-66.1-42.9178.1-49.70000111.7I783 P784 V786 K839 A840 S846I783-T843 HydrophobicContact CG2-CG2 4.29Å; P784-T843 PolarHBondContact O-OG1 3.35Å; V786-T843 VanDerWaalsContact O-CB 3.23Å; V786-T843 WeakPolarHBondContact O-CB 3.5Å; V786-T843 PolarHBondContact O-OG1 3.21Å; V786-T843 VanDerWaalsContact O-OG1 3.11Å; K839-T843 PolarHBondContact O-N 3.37Å; K839-T843 PolarHBondContact O-OG1 3.4Å; K839-T843 VanDerWaalsContact O-OG1 3.06Å; A840-T843 PolarHBondContact O-N 3.12Å; T843-S846 PolarHBondContact O-N 2.84Å
844E83.4Confident84.8Confident92 Ų9232.1 Ų32.143%0.4318%0.177SC..Hα-helixtrans-71.9-36.5-177.3-75.6-87.8179.700112.6W788 A840 V841 S846W788-E844 HydrophobicContact CB-CG 4.5Å; W788-E844 HydrophobicContact CD2-CG 4.26Å; W788-E844 HydrophobicContact CG-CG 3.73Å; W788-E844 PolarHBondContact N-OE1 2.97Å; A840-E844 WeakPolarHBondContact O-CB 3.29Å; A840-E844 VanDerWaalsContact O-CG 3.29Å; A840-E844 WeakPolarHBondContact O-CG 3.46Å; A840-E844 PolarHBondContact O-N 3.07Å; V841-E844 PolarHBondContact O-N 2.69Å; E844-S846 PolarHBondContact O-N 2.97Å
845C77.8Confident84.2Confident25 Ų2535.1 Ų35.117%0.16920%0.198CC..THydrogen-bonded Turntrans-80.3-0.9171.4-59.80000112.8V805 L809 V841 M847V805-C845 HydrophobicContact CG1-CB 4.4Å; L809-C845 HydrophobicContact CD1-CB 4.08Å; V841-C845 WeakPolarHBondContact O-CB 3.36Å; V841-C845 PolarHBondContact O-N 2.9Å; V841-C845 PolarHBondContact O-SG 2.89Å; V841-C845 VanDerWaalsContact O-SG 3.35Å; C845-M847 HydrophobicContact CB-CG 3.75Å; C845-M847 HydrophobicContact CB-SD 3.54Å; C845-M847 VanDerWaalsContact CB-SD 3.54Å; C845-M847 PolarHBondContact O-N 3.1Å
846S76.7Confident83.7Confident96 Ų9638.9 Ų38.967%0.67121%0.213SC*.THydrogen-bonded Turntrans51.241.8-175.6-61.40000113A842 T843 E844A842-S846 PolarHBondContact O-N 2.88Å; A842-S846 VanDerWaalsContact O-N 3.11Å; T843-S846 PolarHBondContact O-N 2.84Å; E844-S846 PolarHBondContact O-N 2.97Å
847M78Confident83.2Confident1 Ų135.1 Ų35.11%0.00519%0.193CC..  trans-101.4153.5-176.5-69.9172.3141.300112V805 L809 A842 C845 P881 V883 F927V805-M847 HydrophobicContact CG1-CE 4.13Å; V805-M847 HydrophobicContact CG1-SD 3.79Å; L809-M847 HydrophobicContact CD1-CE 3.15Å; L809-M847 HydrophobicContact CD1-SD 4.04Å; L809-M847 HydrophobicContact CD2-CE 3.28Å; L809-M847 HydrophobicContact CG-CE 3.56Å; A842-M847 PolarHBondContact O-N 2.78Å; C845-M847 HydrophobicContact CB-CG 3.75Å; C845-M847 HydrophobicContact CB-SD 3.54Å; C845-M847 VanDerWaalsContact CB-SD 3.54Å; C845-M847 PolarHBondContact O-N 3.1Å; M847-P881 HydrophobicContact CE-CB 4.12Å; M847-P881 HydrophobicContact CG-CB 4.44Å; M847-V883 HydrophobicContact CB-CG2 4.05Å; M847-V883 HydrophobicContact CG-CG2 4.43Å; M847-V883 HydrophobicContact SD-CG2 3.45Å; M847-V883 WeakPolarHBondContact SD-CG2 3.32Å; M847-F927 HydrophobicContact CE-CD2 3.47Å; M847-F927 VanDerWaalsContact CE-CD2 3.47Å; M847-F927 HydrophobicContact CE-CE2 3.3Å; M847-F927 HydrophobicContact CE-CZ 4.36Å; M847-F927 HydrophobicContact SD-CD2 4.29Å
848T77.6Confident82.7Confident50 Ų5038 Ų3831%0.30721%0.208SC..EExtended strand (participates in β ladder)trans-68.1134.3169.259.30000109.9A879 P881 C882 V883T848-A879 PolarHBondContact OG1-O 3.24Å; T848-P881 PolarHBondContact N-O 2.92Å; T848-P881 PolarHBondContact OG1-O 2.84Å; T848-P881 VanDerWaalsContact OG1-O 3.14Å; T848-C882 WeakPolarHBondContact O-CA 3.4Å; T848-C882 VanDerWaalsContact OG1-CA 3.32Å; T848-C882 WeakPolarHBondContact OG1-CA 3.13Å; T848-C882 WeakPolarHBondContact OG1-CB 3.45Å; T848-C882 PolarHBondContact OG1-SG 2.85Å; T848-C882 VanDerWaalsContact OG1-SG 3.36Å; T848-V883 PolarHBondContact O-N 3.32Å
849F85.1Confident82Confident5 Ų540.7 Ų40.72%0.02222%0.222CC..EExtended strand (participates in β ladder)trans-110110.3-176.4-176.8-106.4000110.6P784 A838 K839 A842 V883 F885P784-F849 HydrophobicContact CG-CD1 4.35Å; P784-F849 HydrophobicContact CG-CG 4.38Å; A838-F849 HydrophobicContact CB-CE2 4.27Å; K839-F849 HydrophobicContact CG-CE1 3.8Å; K839-F849 HydrophobicContact CG-CE2 4.41Å; K839-F849 HydrophobicContact CG-CZ 3.75Å; A842-F849 HydrophobicContact CB-CB 3.91Å; A842-F849 HydrophobicContact CB-CD2 3.63Å; A842-F849 HydrophobicContact CB-CG 4.11Å; F849-V883 HydrophobicContact CD2-CG1 4.46Å; F849-F885 HydrophobicContact CD2-CB 4.34Å; F849-F885 HydrophobicContact CE1-CB 4.49Å; F849-F885 HydrophobicContact CE2-CB 3.4Å; F849-F885 VanDerWaalsContact CE2-CB 3.4Å; F849-F885 HydrophobicContact CE2-CD1 4.4Å; F849-F885 AromaticContact CE2-CG 3.91Å; F849-F885 HydrophobicContact CE2-CG 3.91Å; F849-F885 HydrophobicContact CZ-CB 3.5Å; F849-F885 VanDerWaalsContact CZ-CB 3.5Å; F849-F885 AromaticContact CZ-CD1 3.72Å; F849-F885 HydrophobicContact CZ-CD1 3.72Å; F849-F885 AromaticContact CZ-CG 3.7Å; F849-F885 HydrophobicContact CZ-CG 3.7Å
850L86.6Confident80.9Confident12 Ų1246.9 Ų46.96%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-98.896.3174.5-70.8179000109.6A780 A876 C882 V883 V884 F885A780-L850 HydrophobicContact CB-CD2 3.31Å; A780-L850 HydrophobicContact CB-CG 4.5Å; L850-A876 VanDerWaalsContact CD1-CA 3.48Å; L850-A876 HydrophobicContact CD1-CB 3.65Å; L850-C882 WeakPolarHBondContact CD1-SG 3.17Å; L850-V883 PolarHBondContact N-O 3.15Å; L850-V884 HydrophobicContact CD1-CG2 4.37Å; L850-F885 PolarHBondContact O-N 3.19Å
851S86.4Confident79.8Confident37 Ų3755 Ų5526%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-83125.9173.1-162.40000110.2
852V86.7Confident78.7Confident14 Ų1460.3 Ų60.39%0.08532%0.318CS..EExtended strand (participates in β ladder)trans-130.8125.5175-174.40000108.8L857 V872 F885 F886 D887V852-L857 HydrophobicContact CG1-CD1 3.36Å; V852-L857 HydrophobicContact CG1-CD2 3.71Å; V852-L857 HydrophobicContact CG1-CG 3.39Å; V852-V872 HydrophobicContact CG2-CG1 3.81Å; V852-V872 HydrophobicContact CG2-CG2 4.15Å; V852-F885 PolarHBondContact N-O 2.81Å; V852-F886 HydrophobicContact CB-CD1 4.14Å; V852-F886 HydrophobicContact CB-CE1 4.26Å; V852-F886 HydrophobicContact CG1-CD1 4.42Å; V852-F886 HydrophobicContact CG1-CE1 4.4Å; V852-F886 WeakPolarHBondContact O-CA 3.46Å; V852-D887 PolarHBondContact O-N 2.84Å
853K85.3Confident78.2Confident101 Ų10162 Ų6244%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-91.7138.3175.7-57.4-174.6-171.9165.20109.9P855 E856K853-P855 VanDerWaalsContact C-N 3.35Å; K853-E856 HydrophobicContact CB-CB 4.46Å; K853-E856 HydrophobicContact CB-CG 4.02Å; K853-E856 WeakPolarHBondContact CD-OE1 3.38Å; K853-E856 IonicContact NZ-OE1 2.74Å; K853-E856 WeakPolarHBondContact O-CB 3.37Å; K853-E856 PolarHBondContact O-N 3.46Å
854G79.4Confident78Confident2 Ų264.8 Ų64.82%0.02135%0.346CS..Hα-helixtrans-48.2-48.2178.700000114.2E856 L857 I858 D887 S891G854-E856 VanDerWaalsContact C-N 3.32Å; G854-E856 PolarHBondContact O-N 3.07Å; G854-L857 PolarHBondContact O-N 3Å; G854-I858 WeakPolarHBondContact O-CG1 3.37Å; G854-D887 PolarHBondContact N-O 2.84Å; G854-S891 WeakPolarHBondContact CA-OG 3.42Å
855P78.9Confident78Confident73 Ų7360.4 Ų60.447%0.47433%0.326SS..Hα-helixtrans-65.4-26.7178.8-24.335000115.2K853 L857 I858 E888 S891K853-P855 VanDerWaalsContact C-N 3.35Å; P855-L857 VanDerWaalsContact C-N 3.27Å; P855-L857 PolarHBondContact O-N 3.3Å; P855-I858 PolarHBondContact O-N 2.77Å; P855-E888 WeakPolarHBondContact CD-OE2 3.35Å; P855-S891 WeakPolarHBondContact CD-OG 3.17Å
856E78.7Confident78.4Confident121 Ų12161.1 Ų61.157%0.56533%0.327SS*.Hα-helixtrans-72.7-22-178.2-69.4173.1-179.400112.4K853 G854K853-E856 HydrophobicContact CB-CB 4.46Å; K853-E856 HydrophobicContact CB-CG 4.02Å; K853-E856 WeakPolarHBondContact CD-OE1 3.38Å; K853-E856 IonicContact NZ-OE1 2.74Å; K853-E856 WeakPolarHBondContact O-CB 3.37Å; K853-E856 PolarHBondContact O-N 3.46Å; G854-E856 VanDerWaalsContact C-N 3.32Å; G854-E856 PolarHBondContact O-N 3.07Å
857L78.3Confident78.7Confident10 Ų1060.9 Ų60.95%0.05232%0.315CS..Hα-helixtrans-88.1-18.6179.9-70.4177.1000113.8V852 G854 P855 N859 S865 N868 I869 V872 F886 L892V852-L857 HydrophobicContact CG1-CD1 3.36Å; V852-L857 HydrophobicContact CG1-CD2 3.71Å; V852-L857 HydrophobicContact CG1-CG 3.39Å; G854-L857 PolarHBondContact O-N 3Å; P855-L857 VanDerWaalsContact C-N 3.27Å; P855-L857 PolarHBondContact O-N 3.3Å; L857-N859 PolarHBondContact O-N 3.16Å; L857-S865 WeakPolarHBondContact O-CB 3.35Å; L857-S865 PolarHBondContact O-OG 3.45Å; L857-N868 HydrophobicContact CD2-CB 4.15Å; L857-I869 HydrophobicContact CD1-CG1 4.17Å; L857-V872 HydrophobicContact CD2-CG2 4.02Å; L857-F886 HydrophobicContact CD1-CE1 4.19Å; L857-L892 HydrophobicContact CB-CD1 4.09Å; L857-L892 HydrophobicContact CD1-CD1 4.15Å; L857-L892 HydrophobicContact CD1-CD2 3.91Å
858I77.3Confident78.9Confident64 Ų6462.6 Ų62.633%0.32832%0.324SS..  trans-94.5101.4-171.5-57.1166.9000109G854 P855 S891 L892 M906G854-I858 WeakPolarHBondContact O-CG1 3.37Å; P855-I858 PolarHBondContact O-N 2.77Å; I858-S891 WeakPolarHBondContact CD1-O 3.46Å; I858-L892 HydrophobicContact CD1-CD1 4.4Å; I858-L892 HydrophobicContact CG1-CD1 4.04Å; I858-M906 HydrophobicContact CD1-CE 4.44Å
859N74.3Confident79.4Confident57 Ų5760.3 Ų60.331%0.30531%0.31SS..  trans-98.9143.9167.4-76.7-42.3000110.8L857 Y861 Q864 S865 N868L857-N859 PolarHBondContact O-N 3.16Å; N859-Y861 PolarHBondContact O-N 2.87Å; N859-Q864 HydrophobicContact CB-CB 4.36Å; N859-S865 PolarHBondContact N-OG 2.67Å; N859-S865 PolarHBondContact O-OG 2.96Å; N859-N868 PolarHBondContact ND2-ND2 3.5Å
860M65.8Low79.5Confident193 Ų19364.9 Ų64.995%0.95133%0.327SS*.SBendtrans-69.6-17.7176.3-70.7-174.2137.300113.2
861Y65.4Low79.3Confident171 Ų17167.9 Ų67.967%0.67134%0.341SS*.SBendtrans-76.4127.6178-67.6-80.3000111.3N859 G863 Q864N859-Y861 PolarHBondContact O-N 2.87Å; Y861-G863 PolarHBondContact O-N 2.99Å; Y861-Q864 PolarHBondContact O-N 2.96Å
862V63.1Low79.3Confident112 Ų11267.1 Ų67.168%0.67933%0.334SS*.THydrogen-bonded Turntrans-58.1127.8-176.6-178.10000110.8Q864V862-Q864 VanDerWaalsContact C-N 3.3Å; V862-Q864 PolarHBondContact O-N 2.91Å
863G74.1Confident79.3Confident34 Ų3466.4 Ų66.435%0.35133%0.33SS..THydrogen-bonded Turntrans85.5-19.4175.400000115.7Y861 E866 E867Y861-G863 PolarHBondContact O-N 2.99Å; G863-E866 PolarHBondContact O-N 3.18Å; G863-E867 PolarHBondContact O-N 2.88Å
864Q80.3Confident79.1Confident90 Ų9063.5 Ų63.542%0.42132%0.318SS..Hα-helixtrans-69.8-37.5-178.2-164.3170.81200112.3N859 Y861 V862 E866 E867 N868N859-Q864 HydrophobicContact CB-CB 4.36Å; Y861-Q864 PolarHBondContact O-N 2.96Å; V862-Q864 VanDerWaalsContact C-N 3.3Å; V862-Q864 PolarHBondContact O-N 2.91Å; Q864-E866 VanDerWaalsContact C-N 3.34Å; Q864-E866 PolarHBondContact O-N 2.95Å; Q864-E867 PolarHBondContact O-N 3.17Å; Q864-N868 WeakPolarHBondContact O-CB 3.46Å; Q864-N868 PolarHBondContact O-N 3.48Å; Q864-N868 PolarHBondContact O-OD1 3.04Å
865S82.9Confident79.1Confident1 Ų166.4 Ų66.41%0.00733%0.33CS..Hα-helixtrans-66.2-34.4177.8-49.90000112.8L857 N859 I869L857-S865 WeakPolarHBondContact O-CB 3.35Å; L857-S865 PolarHBondContact O-OG 3.45Å; N859-S865 PolarHBondContact N-OG 2.67Å; N859-S865 PolarHBondContact O-OG 2.96Å; S865-I869 WeakPolarHBondContact O-CG1 3.4Å; S865-I869 PolarHBondContact O-N 2.73Å
866E84.8Confident79.2Confident40 Ų4062.9 Ų62.919%0.18731%0.307CS..Hα-helixtrans-70-43.8176.8-66.8172.9-151.900111.4G863 Q864 N868 I869 R870 R908 V909 Q912G863-E866 PolarHBondContact O-N 3.18Å; Q864-E866 VanDerWaalsContact C-N 3.34Å; Q864-E866 PolarHBondContact O-N 2.95Å; E866-N868 VanDerWaalsContact C-N 3.33Å; E866-I869 PolarHBondContact O-N 2.79Å; E866-R870 PolarHBondContact O-N 2.82Å; E866-R870 VanDerWaalsContact O-N 3.11Å; E866-R908 WeakPolarHBondContact OE1-CB 3.39Å; E866-V909 HydrophobicContact CG-CG2 4.33Å; E866-Q912 HydrophobicContact CB-CG 4.4Å; E866-Q912 HydrophobicContact CG-CB 4.47Å
867E82.9Confident79.2Confident91 Ų9160.3 Ų60.343%0.42529%0.292SS..Hα-helixtrans-64.8-39.1176.5-17459.5-159.600111.3G863 Q864 I869 R870 E871G863-E867 PolarHBondContact O-N 2.88Å; Q864-E867 PolarHBondContact O-N 3.17Å; E867-I869 VanDerWaalsContact C-N 3.32Å; E867-I869 PolarHBondContact O-N 3.32Å; E867-R870 WeakPolarHBondContact O-CB 3.37Å; E867-R870 PolarHBondContact O-N 3.27Å; E867-E871 WeakPolarHBondContact O-CB 3.48Å; E867-E871 PolarHBondContact O-N 3.34Å
868N84Confident78.7Confident37 Ų3765.6 Ų65.620%0.19832%0.318CS..Hα-helixtrans-58-42.9175.2-74-6.6000112L857 N859 Q864 E866 E871 V872L857-N868 HydrophobicContact CD2-CB 4.15Å; N859-N868 PolarHBondContact ND2-ND2 3.5Å; Q864-N868 WeakPolarHBondContact O-CB 3.46Å; Q864-N868 PolarHBondContact O-N 3.48Å; Q864-N868 PolarHBondContact O-OD1 3.04Å; E866-N868 VanDerWaalsContact C-N 3.33Å; N868-E871 PolarHBondContact O-N 3.05Å; N868-V872 WeakPolarHBondContact O-CG2 3.25Å; N868-V872 PolarHBondContact O-N 3.29Å
869I87.4Confident78.4Confident1 Ų163.3 Ų63.31%0.00531%0.309CS..Hα-helixtrans-63.2-47175.9-71.4176.1000110.8L857 S865 E866 E867 E871 V872 F873 L892 V909 Q912 L913 E916L857-I869 HydrophobicContact CD1-CG1 4.17Å; S865-I869 WeakPolarHBondContact O-CG1 3.4Å; S865-I869 PolarHBondContact O-N 2.73Å; E866-I869 PolarHBondContact O-N 2.79Å; E867-I869 VanDerWaalsContact C-N 3.32Å; E867-I869 PolarHBondContact O-N 3.32Å; I869-E871 PolarHBondContact O-N 2.84Å; I869-V872 PolarHBondContact O-N 2.69Å; I869-F873 HydrophobicContact CG2-CD2 3.76Å; I869-F873 HydrophobicContact CG2-CE2 3.76Å; I869-F873 VanDerWaalsContact O-CD2 3.31Å; I869-F873 WeakPolarHBondContact O-CD2 3.43Å; I869-F873 PolarHBondContact O-N 2.93Å; I869-L892 HydrophobicContact CD1-CD1 4.43Å; I869-V909 HydrophobicContact CD1-CB 4.49Å; I869-V909 HydrophobicContact CD1-CG1 3.44Å; I869-V909 VanDerWaalsContact CD1-CG1 3.44Å; I869-Q912 HydrophobicContact CG2-CG 4.38Å; I869-L913 HydrophobicContact CD1-CB 4.48Å; I869-E916 HydrophobicContact CG2-CG 4.34Å
870R86.6Confident78.4Confident102 Ų10263.1 Ų63.139%0.38531%0.31SS..Hα-helixtrans-58.1-40.2175.9-70.6-177.1-177.7153.66.4111.6E866 E867 H874 Q912E866-R870 PolarHBondContact O-N 2.82Å; E866-R870 VanDerWaalsContact O-N 3.11Å; E867-R870 WeakPolarHBondContact O-CB 3.37Å; E867-R870 PolarHBondContact O-N 3.27Å; R870-H874 WeakPolarHBondContact O-CB 3.29Å; R870-H874 PolarHBondContact O-N 2.93Å; R870-Q912 HydrophobicContact CG-CG 4.31Å; R870-Q912 VanDerWaalsContact CG-NE2 3.3Å; R870-Q912 VanDerWaalsContact NE-CD 3.31Å
871E83.4Confident79Confident74 Ų7456.3 Ų56.335%0.34628%0.28SS..Hα-helixtrans-66-42.7178.8-161-169.4164.200111.5E867 N868 I869 H874 K875E867-E871 WeakPolarHBondContact O-CB 3.48Å; E867-E871 PolarHBondContact O-N 3.34Å; N868-E871 PolarHBondContact O-N 3.05Å; I869-E871 PolarHBondContact O-N 2.84Å; E871-H874 PolarHBondContact O-N 2.98Å; E871-K875 VanDerWaalsContact CD-NZ 3.34Å; E871-K875 HydrophobicContact CG-CD 4.42Å; E871-K875 WeakPolarHBondContact O-CB 2.97Å; E871-K875 VanDerWaalsContact O-CG 3.3Å; E871-K875 WeakPolarHBondContact O-CG 3.44Å; E871-K875 PolarHBondContact O-N 3.45Å; E871-K875 WeakPolarHBondContact OE1-CE 3.38Å; E871-K875 IonicContact OE1-NZ 3.72Å; E871-K875 PolarHBondContact OE1-NZ 3.39Å; E871-K875 IonicContact OE2-NZ 2.82Å
872V85.4Confident79.8Confident21 Ų2148.2 Ų48.213%0.12725%0.248CC..Hα-helixtrans-59-51.6175.7166.60000111.2V852 L857 N868 I869 H874 K875 A876 V884V852-V872 HydrophobicContact CG2-CG1 3.81Å; V852-V872 HydrophobicContact CG2-CG2 4.15Å; L857-V872 HydrophobicContact CD2-CG2 4.02Å; N868-V872 WeakPolarHBondContact O-CG2 3.25Å; N868-V872 PolarHBondContact O-N 3.29Å; I869-V872 PolarHBondContact O-N 2.69Å; V872-H874 VanDerWaalsContact C-N 3.3Å; V872-H874 PolarHBondContact O-N 3.41Å; V872-K875 WeakPolarHBondContact O-CB 3.48Å; V872-K875 PolarHBondContact O-N 3.41Å; V872-A876 PolarHBondContact O-N 2.93Å; V872-V884 HydrophobicContact CG1-CG1 4.27Å
873F86.6Confident80.9Confident0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-67.4-32.6178.9-76.9-72.7000112.3I869 A876 R877 F886 L913 E916 L917 L920 V928I869-F873 HydrophobicContact CG2-CD2 3.76Å; I869-F873 HydrophobicContact CG2-CE2 3.76Å; I869-F873 VanDerWaalsContact O-CD2 3.31Å; I869-F873 WeakPolarHBondContact O-CD2 3.43Å; I869-F873 PolarHBondContact O-N 2.93Å; F873-A876 PolarHBondContact O-N 3.13Å; F873-R877 WeakPolarHBondContact O-CG 3.35Å; F873-R877 PolarHBondContact O-N 3.19Å; F873-R877 PolarHBondContact O-NE 3.15Å; F873-F886 HydrophobicContact CE1-CE2 4.24Å; F873-F886 HydrophobicContact CE1-CZ 4.24Å; F873-F886 HydrophobicContact CE2-CE2 4.46Å; F873-F886 AromaticContact CE2-CZ 3.83Å; F873-F886 HydrophobicContact CE2-CZ 3.83Å; F873-F886 AromaticContact CZ-CE2 3.7Å; F873-F886 HydrophobicContact CZ-CE2 3.7Å; F873-F886 AromaticContact CZ-CZ 3.51Å; F873-F886 HydrophobicContact CZ-CZ 3.51Å; F873-L913 HydrophobicContact CE2-CD1 3.61Å; F873-L913 HydrophobicContact CZ-CD1 3.75Å; F873-E916 HydrophobicContact CB-CB 4.36Å; F873-E916 HydrophobicContact CB-CG 4.35Å; F873-E916 WeakPolarHBondContact CB-OE2 3.45Å; F873-E916 HydrophobicContact CD1-CB 4.37Å; F873-E916 HydrophobicContact CD2-CB 3.42Å; F873-E916 VanDerWaalsContact CD2-CB 3.42Å; F873-E916 HydrophobicContact CD2-CG 3.7Å; F873-E916 HydrophobicContact CE2-CB 3.67Å; F873-E916 HydrophobicContact CE2-CG 4.29Å; F873-E916 HydrophobicContact CG-CB 3.8Å; F873-E916 HydrophobicContact CG-CG 4.19Å; F873-E916 HydrophobicContact CZ-CB 4.23Å; F873-L917 HydrophobicContact CE1-CD2 4.18Å; F873-L917 HydrophobicContact CZ-CD2 3.99Å; F873-L917 HydrophobicContact CZ-CG 4.44Å; F873-L920 HydrophobicContact CD1-CD1 3.64Å; F873-L920 HydrophobicContact CD1-CD2 4.44Å; F873-L920 HydrophobicContact CD1-CG 4.24Å; F873-L920 HydrophobicContact CE1-CD1 3.5Å; F873-L920 VanDerWaalsContact CE1-CD1 3.5Å; F873-L920 HydrophobicContact CE1-CG 4.46Å; F873-V928 HydrophobicContact CE1-CG2 4.27Å
874H82.1Confident81.7Confident39 Ų3941.2 Ų41.218%0.18120%0.199CC..Hα-helixtrans-65-41.8172.1-173.579.4000112.2R666 R870 E871 V872 A876 R877 M878R666-H874 PolarHBondContact NH2-CD2 3.44Å; R666-H874 VanDerWaalsContact NH2-CD2 3.29Å; R666-H874 PolarHBondContact NH2-CE1 3.49Å; R666-H874 PolarHBondContact NH2-NE2 3.06Å; R870-H874 WeakPolarHBondContact O-CB 3.29Å; R870-H874 PolarHBondContact O-N 2.93Å; E871-H874 PolarHBondContact O-N 2.98Å; V872-H874 VanDerWaalsContact C-N 3.3Å; V872-H874 PolarHBondContact O-N 3.41Å; H874-A876 VanDerWaalsContact C-N 3.35Å; H874-R877 PolarHBondContact O-N 3.43Å; H874-M878 VanDerWaalsContact O-CG 3.29Å; H874-M878 WeakPolarHBondContact O-CG 3.3Å; H874-M878 PolarHBondContact O-N 3.09Å; H874-M878 VanDerWaalsContact O-N 3.13Å
875K78.5Confident82.2Confident63 Ų6337 Ų3727%0.27418%0.179SC..Hα-helixtrans-61.8-43173.2-75.3169.7178.1163.50111.1I778 E871 V872 R877 M878 A879I778-K875 HydrophobicContact CG2-CB 4.05Å; I778-K875 HydrophobicContact CG2-CD 4.47Å; I778-K875 HydrophobicContact CG2-CG 4.09Å; I778-K875 WeakPolarHBondContact O-CD 3.43Å; I778-K875 WeakPolarHBondContact O-CE 3.47Å; E871-K875 VanDerWaalsContact CD-NZ 3.34Å; E871-K875 HydrophobicContact CG-CD 4.42Å; E871-K875 WeakPolarHBondContact O-CB 2.97Å; E871-K875 VanDerWaalsContact O-CG 3.3Å; E871-K875 WeakPolarHBondContact O-CG 3.44Å; E871-K875 PolarHBondContact O-N 3.45Å; E871-K875 WeakPolarHBondContact OE1-CE 3.38Å; E871-K875 IonicContact OE1-NZ 3.72Å; E871-K875 PolarHBondContact OE1-NZ 3.39Å; E871-K875 IonicContact OE2-NZ 2.82Å; V872-K875 WeakPolarHBondContact O-CB 3.48Å; V872-K875 PolarHBondContact O-N 3.41Å; K875-R877 PolarHBondContact O-N 3.32Å; K875-M878 PolarHBondContact O-N 3.07Å; K875-A879 WeakPolarHBondContact O-CB 3.47Å; K875-A879 PolarHBondContact O-N 3.25Å; K875-A879 VanDerWaalsContact O-N 3.12Å
876A81.1Confident82.6Confident0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-59.7-45.6176.200000112.4L850 V872 F873 H874 M878 A879 V880 V884 V926L850-A876 VanDerWaalsContact CD1-CA 3.48Å; L850-A876 HydrophobicContact CD1-CB 3.65Å; V872-A876 PolarHBondContact O-N 2.93Å; F873-A876 PolarHBondContact O-N 3.13Å; H874-A876 VanDerWaalsContact C-N 3.35Å; A876-M878 VanDerWaalsContact C-N 3.27Å; A876-M878 PolarHBondContact O-N 3.31Å; A876-A879 PolarHBondContact O-N 3.2Å; A876-V880 PolarHBondContact O-N 2.99Å; A876-V884 HydrophobicContact CB-CG2 3.4Å; A876-V884 VanDerWaalsContact CB-CG2 3.4Å; A876-V926 HydrophobicContact CB-CG1 4.12Å
877R78.3Confident82.9Confident66 Ų6636.5 Ų36.525%0.24918%0.178CC..Hα-helixtrans-62.2-32.1176.3-74.6-177.9-73.2-104.30.8113.3F873 H874 K875 A879 V880 E916 L920F873-R877 WeakPolarHBondContact O-CG 3.35Å; F873-R877 PolarHBondContact O-N 3.19Å; F873-R877 PolarHBondContact O-NE 3.15Å; H874-R877 PolarHBondContact O-N 3.43Å; K875-R877 PolarHBondContact O-N 3.32Å; R877-A879 VanDerWaalsContact C-N 3.32Å; R877-V880 WeakPolarHBondContact O-CG2 3.27Å; R877-E916 IonicContact CZ-OE2 3.51Å; R877-E916 IonicContact NH1-OE2 3.07Å; R877-E916 PolarHBondContact NH1-OE2 3.26Å; R877-E916 IonicContact NH2-OE2 2.6Å; R877-E916 PolarHBondContact NH2-OE2 2.83Å; R877-L920 HydrophobicContact CG-CD2 4.23Å
878M69.4Low83.2Confident121 Ų12136.1 Ų36.160%0.59618%0.176SC*.Hα-helixtrans-77-20.2175.8-65.8-71.213000112.7H874 K875 A876H874-M878 VanDerWaalsContact O-CG 3.29Å; H874-M878 WeakPolarHBondContact O-CG 3.3Å; H874-M878 PolarHBondContact O-N 3.09Å; H874-M878 VanDerWaalsContact O-N 3.13Å; K875-M878 PolarHBondContact O-N 3.07Å; A876-M878 VanDerWaalsContact C-N 3.27Å; A876-M878 PolarHBondContact O-N 3.31Å
879A70.3Confident83.4Confident16 Ų1634.4 Ų34.413%0.13217%0.167CC..THydrogen-bonded Turntrans-104.417.8-174.400000113.9T848 K875 A876 R877 P881 C882T848-A879 PolarHBondContact OG1-O 3.24Å; K875-A879 WeakPolarHBondContact O-CB 3.47Å; K875-A879 PolarHBondContact O-N 3.25Å; K875-A879 VanDerWaalsContact O-N 3.12Å; A876-A879 PolarHBondContact O-N 3.2Å; R877-A879 VanDerWaalsContact C-N 3.32Å; A879-P881 CarbonylContact O-C 3.58Å; A879-P881 VanDerWaalsContact O-C 3.28Å; A879-C882 HydrophobicContact CB-CB 4.29Å; A879-C882 WeakPolarHBondContact O-CB 3.32Å
880V74.4Confident83.4Confident53 Ų5335.9 Ų35.932%0.32118%0.175SC..  trans-59.4130.3-179.6172.80000111A876 R877 V926A876-V880 PolarHBondContact O-N 2.99Å; R877-V880 WeakPolarHBondContact O-CG2 3.27Å; V880-V926 HydrophobicContact CG2-CG2 3.56Å
881P77.4Confident83.3Confident51 Ų5132.7 Ų32.733%0.33117%0.168SC..SBendcis-79.1130.21.831.6-34.4000113.9L809 M847 T848 A879 G925L809-P881 HydrophobicContact CD2-CB 4.29Å; M847-P881 HydrophobicContact CE-CB 4.12Å; M847-P881 HydrophobicContact CG-CB 4.44Å; T848-P881 PolarHBondContact N-O 2.92Å; T848-P881 PolarHBondContact OG1-O 2.84Å; T848-P881 VanDerWaalsContact OG1-O 3.14Å; A879-P881 CarbonylContact O-C 3.58Å; A879-P881 VanDerWaalsContact O-C 3.28Å; P881-G925 WeakPolarHBondContact CA-O 3.37Å
882C82.2Confident83.3Confident0 Ų029.3 Ų29.30%015%0.152CC..EExtended strand (participates in β ladder)trans-137.4143.3-172.3-176.20000112.6T848 L850 A879 G925 V926 F927T848-C882 WeakPolarHBondContact O-CA 3.4Å; T848-C882 VanDerWaalsContact OG1-CA 3.32Å; T848-C882 WeakPolarHBondContact OG1-CA 3.13Å; T848-C882 WeakPolarHBondContact OG1-CB 3.45Å; T848-C882 PolarHBondContact OG1-SG 2.85Å; T848-C882 VanDerWaalsContact OG1-SG 3.36Å; L850-C882 WeakPolarHBondContact CD1-SG 3.17Å; A879-C882 HydrophobicContact CB-CB 4.29Å; A879-C882 WeakPolarHBondContact O-CB 3.32Å; C882-G925 PolarHBondContact N-O 3.17Å; C882-G925 VanDerWaalsContact N-O 3.16Å; C882-V926 WeakPolarHBondContact O-CA 3.36Å; C882-F927 PolarHBondContact O-N 3.05Å
883V87.6Confident83.2Confident0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-106.5121.9166.4179.10000109.1M847 T848 F849 L850 F927 I929M847-V883 HydrophobicContact CB-CG2 4.05Å; M847-V883 HydrophobicContact CG-CG2 4.43Å; M847-V883 HydrophobicContact SD-CG2 3.45Å; M847-V883 WeakPolarHBondContact SD-CG2 3.32Å; T848-V883 PolarHBondContact O-N 3.32Å; F849-V883 HydrophobicContact CD2-CG1 4.46Å; L850-V883 PolarHBondContact N-O 3.15Å; V883-F927 CarbonylContact C-O 3.53Å; V883-F927 WeakPolarHBondContact CA-O 3.44Å; V883-F927 HydrophobicContact CG2-CB 4.38Å; V883-I929 HydrophobicContact CG1-CD1 3.66Å; V883-I929 HydrophobicContact CG1-CG1 3.92Å
884V89.8Confident83.1Confident0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-95.6114.1171.2-173.60000108.4L850 V872 A876 F886 V926 F927 V928 I929L850-V884 HydrophobicContact CD1-CG2 4.37Å; V872-V884 HydrophobicContact CG1-CG1 4.27Å; A876-V884 HydrophobicContact CB-CG2 3.4Å; A876-V884 VanDerWaalsContact CB-CG2 3.4Å; V884-F886 HydrophobicContact CB-CE2 4.41Å; V884-F886 HydrophobicContact CG1-CD2 4.12Å; V884-F886 HydrophobicContact CG1-CE1 4.33Å; V884-F886 HydrophobicContact CG1-CE2 3.5Å; V884-F886 HydrophobicContact CG1-CZ 3.63Å; V884-V926 HydrophobicContact CG2-CG1 4.02Å; V884-F927 PolarHBondContact N-O 3.18Å; V884-V928 CarbonylContact O-C 3.52Å; V884-V928 WeakPolarHBondContact O-CA 3.26Å; V884-I929 PolarHBondContact O-N 3.37Å
885F91.5Very high83.1Confident0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-103.9114.3178.6179.9-107.9000110.7T835 A838 F849 L850 V852 D887 I929 A931T835-F885 HydrophobicContact CG2-CE1 3.83Å; T835-F885 HydrophobicContact CG2-CZ 4.29Å; A838-F885 HydrophobicContact CB-CD2 3.32Å; A838-F885 HydrophobicContact CB-CE2 3.36Å; A838-F885 HydrophobicContact CB-CG 4.03Å; A838-F885 HydrophobicContact CB-CZ 4.1Å; F849-F885 HydrophobicContact CD2-CB 4.34Å; F849-F885 HydrophobicContact CE1-CB 4.49Å; F849-F885 HydrophobicContact CE2-CB 3.4Å; F849-F885 VanDerWaalsContact CE2-CB 3.4Å; F849-F885 HydrophobicContact CE2-CD1 4.4Å; F849-F885 AromaticContact CE2-CG 3.91Å; F849-F885 HydrophobicContact CE2-CG 3.91Å; F849-F885 HydrophobicContact CZ-CB 3.5Å; F849-F885 VanDerWaalsContact CZ-CB 3.5Å; F849-F885 AromaticContact CZ-CD1 3.72Å; F849-F885 HydrophobicContact CZ-CD1 3.72Å; F849-F885 AromaticContact CZ-CG 3.7Å; F849-F885 HydrophobicContact CZ-CG 3.7Å; L850-F885 PolarHBondContact O-N 3.19Å; V852-F885 PolarHBondContact N-O 2.81Å; F885-D887 HydrophobicContact CD1-CB 4.33Å; F885-D887 HydrophobicContact CE1-CB 3.63Å; F885-D887 HydrophobicContact CZ-CB 4.23Å; F885-I929 CarbonylContact C-O 3.55Å; F885-I929 VanDerWaalsContact CA-O 3.26Å; F885-I929 WeakPolarHBondContact CA-O 3.39Å; F885-I929 HydrophobicContact CD2-CB 3.99Å; F885-I929 HydrophobicContact CD2-CG2 3.78Å; F885-I929 WeakPolarHBondContact CD2-O 3.39Å; F885-I929 HydrophobicContact CE2-CG2 4.06Å; F885-A931 HydrophobicContact CE2-CB 3.71Å; F885-A931 HydrophobicContact CZ-CB 3.59Å
886F91.4Very high82.8Confident3 Ų331.5 Ų31.51%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-96.3108.7172.7-67.8-74.9000109.7V852 L857 F873 V884 L889 L892 L913 V928 I929 G930 A931V852-F886 HydrophobicContact CB-CD1 4.14Å; V852-F886 HydrophobicContact CB-CE1 4.26Å; V852-F886 HydrophobicContact CG1-CD1 4.42Å; V852-F886 HydrophobicContact CG1-CE1 4.4Å; V852-F886 WeakPolarHBondContact O-CA 3.46Å; L857-F886 HydrophobicContact CD1-CE1 4.19Å; F873-F886 HydrophobicContact CE1-CE2 4.24Å; F873-F886 HydrophobicContact CE1-CZ 4.24Å; F873-F886 HydrophobicContact CE2-CE2 4.46Å; F873-F886 AromaticContact CE2-CZ 3.83Å; F873-F886 HydrophobicContact CE2-CZ 3.83Å; F873-F886 AromaticContact CZ-CE2 3.7Å; F873-F886 HydrophobicContact CZ-CE2 3.7Å; F873-F886 AromaticContact CZ-CZ 3.51Å; F873-F886 HydrophobicContact CZ-CZ 3.51Å; V884-F886 HydrophobicContact CB-CE2 4.41Å; V884-F886 HydrophobicContact CG1-CD2 4.12Å; V884-F886 HydrophobicContact CG1-CE1 4.33Å; V884-F886 HydrophobicContact CG1-CE2 3.5Å; V884-F886 HydrophobicContact CG1-CZ 3.63Å; F886-L889 HydrophobicContact CB-CD1 4.11Å; F886-L892 HydrophobicContact CD1-CD2 4.37Å; F886-L913 HydrophobicContact CE2-CD1 4.45Å; F886-L913 HydrophobicContact CZ-CD1 4.16Å; F886-V928 HydrophobicContact CD2-CG1 3.65Å; F886-V928 HydrophobicContact CE2-CG1 3.67Å; F886-I929 PolarHBondContact N-O 3.2Å; F886-G930 CarbonylContact O-C 3.52Å; F886-A931 PolarHBondContact O-N 2.81Å
887D90.2Very high82Confident28 Ų2835.2 Ų35.215%0.1520%0.199CC..EExtended strand (participates in β ladder)trans-89.1146.2172.3-146.6-13.9000110.4T835 V852 G854 F885 L889T835-D887 PolarHBondContact OG1-OD2 2.82Å; V852-D887 PolarHBondContact O-N 2.84Å; G854-D887 PolarHBondContact N-O 2.84Å; F885-D887 HydrophobicContact CD1-CB 4.33Å; F885-D887 HydrophobicContact CE1-CB 3.63Å; F885-D887 HydrophobicContact CZ-CB 4.23Å; D887-L889 PolarHBondContact O-N 3.15Å
888E89.3Confident81.2Confident83 Ų8340.6 Ų40.639%0.38822%0.219SC..SBendtrans5448.9-177-58.2178.4162.800112.8P855 D890 S891 A931P855-E888 WeakPolarHBondContact CD-OE2 3.35Å; E888-D890 PolarHBondContact O-N 3.05Å; E888-S891 PolarHBondContact O-N 3.27Å; E888-S891 PolarHBondContact O-OG 2.98Å; E888-S891 VanDerWaalsContact O-OG 3.1Å; E888-A931 PolarHBondContact N-O 3.12Å
889L88.4Confident80.5Confident1 Ų137.8 Ų37.81%0.00521%0.212CC..Hα-helixtrans-58.3-25.6-177.1-172.962.6000113L825 F886 D887 S891 L892 A893 L913 A931 L938 L942 F948L825-L889 HydrophobicContact CD1-CD2 3.77Å; F886-L889 HydrophobicContact CB-CD1 4.11Å; D887-L889 PolarHBondContact O-N 3.15Å; L889-S891 VanDerWaalsContact C-N 3.26Å; L889-S891 PolarHBondContact O-N 3.4Å; L889-L892 HydrophobicContact CD1-CD2 4.29Å; L889-L892 PolarHBondContact O-N 2.98Å; L889-A893 PolarHBondContact O-N 2.89Å; L889-L913 HydrophobicContact CD1-CD2 4.22Å; L889-A931 PolarHBondContact N-O 3.4Å; L889-L938 HydrophobicContact CB-CD1 4.19Å; L889-L938 HydrophobicContact CD2-CD1 3.75Å; L889-L938 HydrophobicContact CG-CD1 3.82Å; L889-L942 HydrophobicContact CD2-CD1 4.45Å; L889-F948 HydrophobicContact CD2-CE2 3.65Å; L889-F948 HydrophobicContact CD2-CZ 3.7Å
890D87.7Confident79.8Confident32 Ų3240.8 Ų40.817%0.17124%0.244CC..Hα-helixtrans-63.6-26174.348.2-55.2000113.7E888 T932E888-D890 PolarHBondContact O-N 3.05Å; D890-T932 WeakPolarHBondContact CB-OG1 3.47Å; D890-T932 VanDerWaalsContact CG-OG1 3.24Å; D890-T932 PolarHBondContact OD1-OG1 3.07Å
891S84.4Confident79.1Confident36 Ų3643.7 Ų43.725%0.25226%0.258SS..Hα-helixtrans-77.8-29.3174.185.10000112.3G854 P855 I858 E888 L889 M906G854-S891 WeakPolarHBondContact CA-OG 3.42Å; P855-S891 WeakPolarHBondContact CD-OG 3.17Å; I858-S891 WeakPolarHBondContact CD1-O 3.46Å; E888-S891 PolarHBondContact O-N 3.27Å; E888-S891 PolarHBondContact O-OG 2.98Å; E888-S891 VanDerWaalsContact O-OG 3.1Å; L889-S891 VanDerWaalsContact C-N 3.26Å; L889-S891 PolarHBondContact O-N 3.4Å; S891-M906 VanDerWaalsContact O-CE 3.27Å; S891-M906 WeakPolarHBondContact O-CE 3.38Å
892L83.7Confident77.9Confident2 Ų247.9 Ų47.91%0.0129%0.288CS..Hα-helixtrans-84.5-36.5-178.2-172.466.3000112.1L857 I858 I869 F886 L889 V909 L913L857-L892 HydrophobicContact CB-CD1 4.09Å; L857-L892 HydrophobicContact CD1-CD1 4.15Å; L857-L892 HydrophobicContact CD1-CD2 3.91Å; I858-L892 HydrophobicContact CD1-CD1 4.4Å; I858-L892 HydrophobicContact CG1-CD1 4.04Å; I869-L892 HydrophobicContact CD1-CD1 4.43Å; F886-L892 HydrophobicContact CD1-CD2 4.37Å; L889-L892 HydrophobicContact CD1-CD2 4.29Å; L889-L892 PolarHBondContact O-N 2.98Å; L892-V909 HydrophobicContact CD1-CG1 3.78Å; L892-V909 HydrophobicContact CG-CG1 4.49Å; L892-L913 HydrophobicContact CD2-CD2 3.95Å
893A83.7Confident77.1Confident0 Ų049.9 Ų49.90%031%0.309CS..SBendtrans-130.766.3-17500000113.6L889 V910 D939 L942L889-A893 PolarHBondContact O-N 2.89Å; A893-V910 HydrophobicContact CB-CG1 4.44Å; A893-V910 HydrophobicContact CB-CG2 3.75Å; A893-D939 PolarHBondContact O-N 3.38Å; A893-D939 VanDerWaalsContact O-N 3.12Å; A893-L942 HydrophobicContact CB-CD1 3.46Å; A893-L942 VanDerWaalsContact CB-CD1 3.46Å
894P84.1Confident76.5Confident21 Ų2151.3 Ų51.314%0.13632%0.324CS..BIsolated β-bridgetrans-67.3158172.630.9-35.8000111.5R896 M906 L937P894-R896 PolarHBondContact O-N 3.36Å; P894-M906 HydrophobicContact CG-CE 3.62Å; P894-M906 HydrophobicContact CG-SD 3.89Å; P894-L937 CarbonylContact C-O 3.56Å; P894-L937 WeakPolarHBondContact CA-O 3.44Å
895N80.9Confident76Confident39 Ų3953.1 Ų53.121%0.20934%0.335CS..PPolyproline II helixtrans-54.9126.5174.8-91.9-43.2000112G897 R898 D936 L937 L938 D939N895-G897 PolarHBondContact O-N 3.38Å; N895-R898 PolarHBondContact O-N 3.26Å; N895-D936 PolarHBondContact ND2-O 3.37Å; N895-D936 VanDerWaalsContact ND2-O 3.12Å; N895-L937 PolarHBondContact N-O 2.89Å; N895-L938 PolarHBondContact ND2-O 3.46Å; N895-L938 PolarHBondContact OD1-O 2.96Å; N895-D939 WeakPolarHBondContact OD1-CA 3.42Å
896R73.8Confident75.4Confident110 Ų11055.4 Ų55.442%0.41535%0.346SS..THydrogen-bonded Turntrans-55.9130.7-179.2-63.7178.8-179-117.2-2.1110.7P894 R898 S911 D939P894-R896 PolarHBondContact O-N 3.36Å; R896-R898 PolarHBondContact O-N 3.01Å; R896-S911 PolarHBondContact NH1-OG 2.67Å; R896-S911 PolarHBondContact NH2-OG 3.23Å; R896-S911 VanDerWaalsContact NH2-OG 3.1Å; R896-D939 IonicContact CZ-OD2 2.62Å; R896-D939 IonicContact NE-OD2 3.72Å; R896-D939 PolarHBondContact NE-OD2 2.97Å; R896-D939 IonicContact NH2-OD2 3.23Å
897G64.2Low75.1Confident77 Ų7758.5 Ų58.579%0.79436%0.362SS*.THydrogen-bonded Turntrans82.20.3175.900000116.8N895N895-G897 PolarHBondContact O-N 3.38Å
898R60.4Low74.8Confident179 Ų17963.5 Ų63.568%0.67538%0.379SS*.SBendtrans-88.1-24.8175.5-120.2-179.9-176.31782.8113.8N895 R896N895-R898 PolarHBondContact O-N 3.26Å; R896-R898 PolarHBondContact O-N 3.01Å
899S55.8Low74.6Confident63 Ų6359.7 Ų59.744%0.44136%0.362SS..SBendtrans-105110.3179.1-50.10000109.1D901S899-D901 PolarHBondContact O-N 2.87Å
900G55.4Low74.5Confident78 Ų7859.7 Ų59.780%0.80436%0.362SS*.  trans-72.942.7-178.200000114.6S902G900-S902 PolarHBondContact O-N 3.19Å
901D58.2Low74.6Confident115 Ų11560.7 Ų60.762%0.61537%0.371SS*.  trans-81119.4-176.2-80.8-14.5000111.2S899 G903 G904S899-D901 PolarHBondContact O-N 2.87Å; D901-G903 PolarHBondContact O-N 2.97Å; D901-G904 PolarHBondContact O-N 3.11Å
902S53.4Low74.8Confident138 Ų13860.2 Ų60.297%0.96537%0.365SS*.THydrogen-bonded Turntrans-68.118.3-165-46.60000116.5G900G900-S902 PolarHBondContact O-N 3.19Å
903G64.7Low75.1Confident43 Ų4360.1 Ų60.144%0.44337%0.365SS..THydrogen-bonded Turntrans-135.4-5.3-177.200000116.5D901 V905D901-G903 PolarHBondContact O-N 2.97Å; G903-V905 PolarHBondContact O-N 3.3Å
904G76.3Confident75.3Confident30 Ų3060.8 Ų60.831%0.30937%0.368SS..  trans5815.5-178.600000114.7D901 D907 R908D901-G904 PolarHBondContact O-N 3.11Å; G904-D907 PolarHBondContact O-N 3.24Å; G904-R908 WeakPolarHBondContact O-CG 3.3Å; G904-R908 PolarHBondContact O-N 3.44Å
905V78.3Confident75.5Confident38 Ų3862.2 Ų62.223%0.2338%0.382CS..Hα-helixtrans-63.7-43.7-175.8178.20000110.1G903 D907 R908 V909G903-V905 PolarHBondContact O-N 3.3Å; V905-D907 PolarHBondContact O-N 3.06Å; V905-R908 PolarHBondContact O-N 3.12Å; V905-V909 HydrophobicContact CG1-CG2 4.34Å; V905-V909 VanDerWaalsContact O-CG2 3.23Å; V905-V909 WeakPolarHBondContact O-CG2 3.35Å; V905-V909 PolarHBondContact O-N 3.07Å
906M79.6Confident75.9Confident47 Ų4761.4 Ų61.423%0.23238%0.376CS..Hα-helixtrans-61.9-43.8177.6-64.4-170.5101.600112.1I858 S891 P894 R908 V909 V910I858-M906 HydrophobicContact CD1-CE 4.44Å; S891-M906 VanDerWaalsContact O-CE 3.27Å; S891-M906 WeakPolarHBondContact O-CE 3.38Å; P894-M906 HydrophobicContact CG-CE 3.62Å; P894-M906 HydrophobicContact CG-SD 3.89Å; M906-R908 VanDerWaalsContact C-N 3.28Å; M906-R908 PolarHBondContact O-N 3.38Å; M906-V909 PolarHBondContact O-N 3.35Å; M906-V910 WeakPolarHBondContact O-CG2 3.06Å; M906-V910 PolarHBondContact O-N 3.27Å
907D83.9Confident76.5Confident68 Ų6856.5 Ų56.536%0.36436%0.359SS..Hα-helixtrans-61.7-35.9178.7-71.2-26000112.4G904 V905 S911G904-D907 PolarHBondContact O-N 3.24Å; V905-D907 PolarHBondContact O-N 3.06Å; D907-S911 WeakPolarHBondContact O-CB 3.42Å; D907-S911 PolarHBondContact O-N 3.18Å; D907-S911 PolarHBondContact O-OG 3.4Å
908R83.8Confident77.4Confident133 Ų13356.1 Ų56.150%0.50234%0.338SS..Hα-helixtrans-70.7-43.6175.4-64.8176.7-171.31764.1112E866 G904 V905 M906 V910 S911 Q912E866-R908 WeakPolarHBondContact OE1-CB 3.39Å; G904-R908 WeakPolarHBondContact O-CG 3.3Å; G904-R908 PolarHBondContact O-N 3.44Å; V905-R908 PolarHBondContact O-N 3.12Å; M906-R908 VanDerWaalsContact C-N 3.28Å; M906-R908 PolarHBondContact O-N 3.38Å; R908-V910 VanDerWaalsContact C-N 3.34Å; R908-V910 PolarHBondContact O-N 3.05Å; R908-S911 PolarHBondContact O-N 3.18Å; R908-S911 VanDerWaalsContact O-N 3.16Å; R908-Q912 WeakPolarHBondContact O-CB 3.33Å; R908-Q912 PolarHBondContact O-N 3.21Å
909V86.2Confident78.4Confident4 Ų449.8 Ų49.82%0.02432%0.322CS..Hα-helixtrans-58.3-45.9175.11700000110.7E866 I869 L892 V905 M906 Q912 L913E866-V909 HydrophobicContact CG-CG2 4.33Å; I869-V909 HydrophobicContact CD1-CB 4.49Å; I869-V909 HydrophobicContact CD1-CG1 3.44Å; I869-V909 VanDerWaalsContact CD1-CG1 3.44Å; L892-V909 HydrophobicContact CD1-CG1 3.78Å; L892-V909 HydrophobicContact CG-CG1 4.49Å; V905-V909 HydrophobicContact CG1-CG2 4.34Å; V905-V909 VanDerWaalsContact O-CG2 3.23Å; V905-V909 WeakPolarHBondContact O-CG2 3.35Å; V905-V909 PolarHBondContact O-N 3.07Å; M906-V909 PolarHBondContact O-N 3.35Å; V909-Q912 PolarHBondContact O-N 3.2Å; V909-L913 PolarHBondContact O-N 2.99Å
910V86.9Confident79.2Confident1 Ų146.9 Ų46.91%0.00630%0.301CS..Hα-helixtrans-61.4-45.5174.3175.80000110.9A893 M906 R908 Q912 L913 L914A893-V910 HydrophobicContact CB-CG1 4.44Å; A893-V910 HydrophobicContact CB-CG2 3.75Å; M906-V910 WeakPolarHBondContact O-CG2 3.06Å; M906-V910 PolarHBondContact O-N 3.27Å; R908-V910 VanDerWaalsContact C-N 3.34Å; R908-V910 PolarHBondContact O-N 3.05Å; V910-Q912 VanDerWaalsContact C-N 3.29Å; V910-Q912 PolarHBondContact O-N 3.34Å; V910-L913 WeakPolarHBondContact O-CB 3.46Å; V910-L913 PolarHBondContact O-N 2.9Å; V910-L914 HydrophobicContact CG1-CD1 4.33Å; V910-L914 HydrophobicContact CG1-CG 4.42Å; V910-L914 VanDerWaalsContact O-CG 3.29Å; V910-L914 WeakPolarHBondContact O-CG 3.38Å; V910-L914 PolarHBondContact O-N 3.47Å
911S88.6Confident79.6Confident52 Ų5246.9 Ų46.936%0.36428%0.28SS..Hα-helixtrans-63.5-36179.4-560000112.3R896 D907 R908 L914 A915R896-S911 PolarHBondContact NH1-OG 2.67Å; R896-S911 PolarHBondContact NH2-OG 3.23Å; R896-S911 VanDerWaalsContact NH2-OG 3.1Å; D907-S911 WeakPolarHBondContact O-CB 3.42Å; D907-S911 PolarHBondContact O-N 3.18Å; D907-S911 PolarHBondContact O-OG 3.4Å; R908-S911 PolarHBondContact O-N 3.18Å; R908-S911 VanDerWaalsContact O-N 3.16Å; S911-L914 PolarHBondContact O-N 3.05Å; S911-A915 PolarHBondContact O-N 3.33Å
912Q89.8Confident79.7Confident26 Ų2646.3 Ų46.312%0.12129%0.285CS..Hα-helixtrans-68.9-41.3173.7-175.459.44300112.1E866 I869 R870 R908 V909 V910 L914 A915 E916E866-Q912 HydrophobicContact CB-CG 4.4Å; E866-Q912 HydrophobicContact CG-CB 4.47Å; I869-Q912 HydrophobicContact CG2-CG 4.38Å; R870-Q912 HydrophobicContact CG-CG 4.31Å; R870-Q912 VanDerWaalsContact CG-NE2 3.3Å; R870-Q912 VanDerWaalsContact NE-CD 3.31Å; R908-Q912 WeakPolarHBondContact O-CB 3.33Å; R908-Q912 PolarHBondContact O-N 3.21Å; V909-Q912 PolarHBondContact O-N 3.2Å; V910-Q912 VanDerWaalsContact C-N 3.29Å; V910-Q912 PolarHBondContact O-N 3.34Å; Q912-L914 VanDerWaalsContact C-N 3.33Å; Q912-L914 PolarHBondContact O-N 3.04Å; Q912-A915 PolarHBondContact O-N 3.18Å; Q912-E916 PolarHBondContact NE2-OE1 3.07Å; Q912-E916 PolarHBondContact O-N 2.84Å
913L88.9Confident80Confident1 Ų141.9 Ų41.91%0.00525%0.254CS..Hα-helixtrans-58.8-45.2173.8178.963.3000111I869 F873 F886 L889 L892 V909 V910 A915 E916 L917 L942I869-L913 HydrophobicContact CD1-CB 4.48Å; F873-L913 HydrophobicContact CE2-CD1 3.61Å; F873-L913 HydrophobicContact CZ-CD1 3.75Å; F886-L913 HydrophobicContact CE2-CD1 4.45Å; F886-L913 HydrophobicContact CZ-CD1 4.16Å; L889-L913 HydrophobicContact CD1-CD2 4.22Å; L892-L913 HydrophobicContact CD2-CD2 3.95Å; V909-L913 PolarHBondContact O-N 2.99Å; V910-L913 WeakPolarHBondContact O-CB 3.46Å; V910-L913 PolarHBondContact O-N 2.9Å; L913-A915 PolarHBondContact O-N 3.13Å; L913-E916 PolarHBondContact O-N 3.29Å; L913-L917 HydrophobicContact CD1-CD1 4.49Å; L913-L917 HydrophobicContact CD1-CG 4.44Å; L913-L917 HydrophobicContact CG-CD1 4.25Å; L913-L917 VanDerWaalsContact O-CG 3.32Å; L913-L917 WeakPolarHBondContact O-CG 3.04Å; L913-L917 PolarHBondContact O-N 3.04Å; L913-L942 HydrophobicContact CD2-CD2 4.25Å
914L88.7Confident79.9Confident13 Ų1343.8 Ų43.87%0.06827%0.266CS..Hα-helixtrans-60.5-44.9176.2-66.3-179.9000112V910 S911 Q912 E916 L917 D918 L942V910-L914 HydrophobicContact CG1-CD1 4.33Å; V910-L914 HydrophobicContact CG1-CG 4.42Å; V910-L914 VanDerWaalsContact O-CG 3.29Å; V910-L914 WeakPolarHBondContact O-CG 3.38Å; V910-L914 PolarHBondContact O-N 3.47Å; S911-L914 PolarHBondContact O-N 3.05Å; Q912-L914 VanDerWaalsContact C-N 3.33Å; Q912-L914 PolarHBondContact O-N 3.04Å; L914-E916 VanDerWaalsContact C-N 3.34Å; L914-E916 PolarHBondContact O-N 2.97Å; L914-L917 PolarHBondContact O-N 3.2Å; L914-D918 WeakPolarHBondContact O-CB 3.29Å; L914-D918 PolarHBondContact O-N 3.33Å; L914-L942 HydrophobicContact CD2-CD2 3.33Å; L914-L942 HydrophobicContact CD2-CG 4.02Å; L914-L942 HydrophobicContact CG-CD2 4.45Å
915A88.3Confident79.8Confident52 Ų5243.4 Ų43.443%0.4326%0.261SS..Hα-helixtrans-62.1-39.6178.100000112.5S911 Q912 L913 S919S911-A915 PolarHBondContact O-N 3.33Å; Q912-A915 PolarHBondContact O-N 3.18Å; L913-A915 PolarHBondContact O-N 3.13Å; A915-S919 WeakPolarHBondContact O-CB 3.29Å; A915-S919 PolarHBondContact O-N 2.92Å
916E87.9Confident80.1Confident21 Ų2141.7 Ų41.710%0.09825%0.251CS..Hα-helixtrans-69.5-41.3175.9-70.1-69.1156.600112I869 F873 R877 Q912 L913 L914 D918 S919 L920I869-E916 HydrophobicContact CG2-CG 4.34Å; F873-E916 HydrophobicContact CB-CB 4.36Å; F873-E916 HydrophobicContact CB-CG 4.35Å; F873-E916 WeakPolarHBondContact CB-OE2 3.45Å; F873-E916 HydrophobicContact CD1-CB 4.37Å; F873-E916 HydrophobicContact CD2-CB 3.42Å; F873-E916 VanDerWaalsContact CD2-CB 3.42Å; F873-E916 HydrophobicContact CD2-CG 3.7Å; F873-E916 HydrophobicContact CE2-CB 3.67Å; F873-E916 HydrophobicContact CE2-CG 4.29Å; F873-E916 HydrophobicContact CG-CB 3.8Å; F873-E916 HydrophobicContact CG-CG 4.19Å; F873-E916 HydrophobicContact CZ-CB 4.23Å; R877-E916 IonicContact CZ-OE2 3.51Å; R877-E916 IonicContact NH1-OE2 3.07Å; R877-E916 PolarHBondContact NH1-OE2 3.26Å; R877-E916 IonicContact NH2-OE2 2.6Å; R877-E916 PolarHBondContact NH2-OE2 2.83Å; Q912-E916 PolarHBondContact NE2-OE1 3.07Å; Q912-E916 PolarHBondContact O-N 2.84Å; L913-E916 PolarHBondContact O-N 3.29Å; L914-E916 VanDerWaalsContact C-N 3.34Å; L914-E916 PolarHBondContact O-N 2.97Å; E916-D918 PolarHBondContact O-N 3Å; E916-S919 WeakPolarHBondContact O-CB 3.25Å; E916-S919 PolarHBondContact O-N 3.48Å; E916-S919 PolarHBondContact O-OG 2.99Å; E916-L920 WeakPolarHBondContact O-CG 3.44Å; E916-L920 PolarHBondContact O-N 3.09Å; E916-L920 VanDerWaalsContact O-N 3.11Å
917L86.6Confident80.4Confident8 Ų840.2 Ų40.24%0.04224%0.243CC..Hα-helixtrans-61.4-43.5175.5-69.9175.4000111.9F873 L913 L914 S919 L920 V928 L942 R947 F948F873-L917 HydrophobicContact CE1-CD2 4.18Å; F873-L917 HydrophobicContact CZ-CD2 3.99Å; F873-L917 HydrophobicContact CZ-CG 4.44Å; L913-L917 HydrophobicContact CD1-CD1 4.49Å; L913-L917 HydrophobicContact CD1-CG 4.44Å; L913-L917 HydrophobicContact CG-CD1 4.25Å; L913-L917 VanDerWaalsContact O-CG 3.32Å; L913-L917 WeakPolarHBondContact O-CG 3.04Å; L913-L917 PolarHBondContact O-N 3.04Å; L914-L917 PolarHBondContact O-N 3.2Å; L917-S919 VanDerWaalsContact C-N 3.27Å; L917-S919 PolarHBondContact O-N 3.27Å; L917-L920 PolarHBondContact O-N 2.86Å; L917-V928 HydrophobicContact CD2-CB 4.27Å; L917-V928 HydrophobicContact CD2-CG1 4.05Å; L917-V928 HydrophobicContact CD2-CG2 3.88Å; L917-L942 HydrophobicContact CD1-CD2 3.93Å; L917-R947 HydrophobicContact CB-CG 4.42Å; L917-F948 HydrophobicContact CD1-CE2 4.16Å
918D84.4Confident80.7Confident69 Ų6937.1 Ų37.137%0.36923%0.227SC..Hα-helixtrans-65.2-33.9177-64.4-17.6000110.6L914 E916 L920 R947L914-D918 WeakPolarHBondContact O-CB 3.29Å; L914-D918 PolarHBondContact O-N 3.33Å; E916-D918 PolarHBondContact O-N 3Å; D918-L920 VanDerWaalsContact C-N 3.34Å; D918-L920 PolarHBondContact O-N 2.85Å; D918-R947 WeakPolarHBondContact OD1-CG 3.46Å; D918-R947 IonicContact OD1-CZ 2.64Å; D918-R947 IonicContact OD1-NE 4Å; D918-R947 PolarHBondContact OD1-NE 3.45Å; D918-R947 IonicContact OD1-NH2 3.7Å; D918-R947 PolarHBondContact OD1-NH2 2.74Å; D918-R947 IonicContact OD2-CZ 3.87Å; D918-R947 IonicContact OD2-NE 3.62Å; D918-R947 IonicContact OD2-NH2 2.81Å; D918-R947 PolarHBondContact OD2-NH2 2.94Å
919S80.9Confident81.1Confident46 Ų4630.9 Ų30.932%0.32220%0.204SC..Hα-helixtrans-67-32.1175.483.50000113.5A915 E916 L917 Q921 S922A915-S919 WeakPolarHBondContact O-CB 3.29Å; A915-S919 PolarHBondContact O-N 2.92Å; E916-S919 WeakPolarHBondContact O-CB 3.25Å; E916-S919 PolarHBondContact O-N 3.48Å; E916-S919 PolarHBondContact O-OG 2.99Å; L917-S919 VanDerWaalsContact C-N 3.27Å; L917-S919 PolarHBondContact O-N 3.27Å; S919-Q921 VanDerWaalsContact C-N 3.27Å; S919-Q921 PolarHBondContact O-N 2.94Å; S919-S922 PolarHBondContact O-N 2.88Å; S919-S922 PolarHBondContact O-OG 3.03Å
920L73.6Confident81.4Confident1 Ų130.7 Ų30.71%0.00520%0.203CC..Hα-helixtrans-69.3-22.6-176.7-74.7179.7000113.3F873 R877 E916 L917 D918 S922 S923 V926 V928F873-L920 HydrophobicContact CD1-CD1 3.64Å; F873-L920 HydrophobicContact CD1-CD2 4.44Å; F873-L920 HydrophobicContact CD1-CG 4.24Å; F873-L920 HydrophobicContact CE1-CD1 3.5Å; F873-L920 VanDerWaalsContact CE1-CD1 3.5Å; F873-L920 HydrophobicContact CE1-CG 4.46Å; R877-L920 HydrophobicContact CG-CD2 4.23Å; E916-L920 WeakPolarHBondContact O-CG 3.44Å; E916-L920 PolarHBondContact O-N 3.09Å; E916-L920 VanDerWaalsContact O-N 3.11Å; L917-L920 PolarHBondContact O-N 2.86Å; D918-L920 VanDerWaalsContact C-N 3.34Å; D918-L920 PolarHBondContact O-N 2.85Å; L920-S922 PolarHBondContact O-N 2.81Å; L920-S922 VanDerWaalsContact O-N 3.09Å; L920-S923 PolarHBondContact O-N 3.07Å; L920-V926 HydrophobicContact CD1-CG1 4.07Å; L920-V926 HydrophobicContact CD2-CB 4.05Å; L920-V926 HydrophobicContact CD2-CG1 4.05Å; L920-V926 HydrophobicContact CD2-CG2 4.29Å; L920-V928 HydrophobicContact CD1-CG2 3.65Å
921Q63.3Low81.7Confident79 Ų7930.7 Ų30.737%0.36920%0.203SC..THydrogen-bonded Turntrans-56.9-28.4177.3-65.5-158.8-1600113.8N820 S919 G946N820-Q921 PolarHBondContact ND2-O 2.87Å; N820-Q921 VanDerWaalsContact ND2-O 3.07Å; S919-Q921 VanDerWaalsContact C-N 3.27Å; S919-Q921 PolarHBondContact O-N 2.94Å; Q921-G946 PolarHBondContact NE2-O 2.76Å
922S60.5Low81.8Confident103 Ų10328.3 Ų28.372%0.7219%0.186SC*.THydrogen-bonded Turntrans-83.4-19.7177.868.80000113.7S919 L920S919-S922 PolarHBondContact O-N 2.88Å; S919-S922 PolarHBondContact O-OG 3.03Å; L920-S922 PolarHBondContact O-N 2.81Å; L920-S922 VanDerWaalsContact O-N 3.09Å
923S59.2Low81.9Confident45 Ų4529.3 Ų29.332%0.31519%0.192SC..SBendtrans-101.8103.9-175.4-68.50000110.6L920 G925L920-S923 PolarHBondContact O-N 3.07Å; S923-G925 PolarHBondContact O-N 2.71Å
924A63.3Low81.8Confident83 Ų8335.4 Ų35.469%0.68622%0.215SC*.THydrogen-bonded Turntrans-63.7131.3177.400000111.6
925G73.7Confident81.8Confident21 Ų2135.4 Ų35.422%0.21622%0.215CC..THydrogen-bonded Turntrans100.69.9167.700000117.4P881 C882 S923P881-G925 WeakPolarHBondContact CA-O 3.37Å; C882-G925 PolarHBondContact N-O 3.17Å; C882-G925 VanDerWaalsContact N-O 3.16Å; S923-G925 PolarHBondContact O-N 2.71Å
926V83.3Confident81.6Confident3 Ų335.5 Ų35.52%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-108.1124.7166-176.80000109.5A876 V880 C882 V884 L920A876-V926 HydrophobicContact CB-CG1 4.12Å; V880-V926 HydrophobicContact CG2-CG2 3.56Å; C882-V926 WeakPolarHBondContact O-CA 3.36Å; V884-V926 HydrophobicContact CG2-CG1 4.02Å; L920-V926 HydrophobicContact CD1-CG1 4.07Å; L920-V926 HydrophobicContact CD2-CB 4.05Å; L920-V926 HydrophobicContact CD2-CG1 4.05Å; L920-V926 HydrophobicContact CD2-CG2 4.29Å
927F87.3Confident81.5Confident15 Ų1537.1 Ų37.17%0.06622%0.218CC..EExtended strand (participates in β ladder)trans-111.9140.4176.5-59.5-87.9000110.1V805 P808 L809 M847 C882 V883 V884V805-F927 HydrophobicContact CG1-CD2 4.45Å; V805-F927 HydrophobicContact CG1-CG 4.42Å; P808-F927 HydrophobicContact CB-CE1 3.99Å; P808-F927 HydrophobicContact CB-CZ 3.89Å; P808-F927 HydrophobicContact CG-CE1 4.04Å; P808-F927 HydrophobicContact CG-CZ 4.39Å; L809-F927 HydrophobicContact CD2-CE2 4.1Å; L809-F927 HydrophobicContact CD2-CZ 4.49Å; L809-F927 HydrophobicContact CG-CE2 4.3Å; L809-F927 HydrophobicContact CG-CZ 4.37Å; M847-F927 HydrophobicContact CE-CD2 3.47Å; M847-F927 VanDerWaalsContact CE-CD2 3.47Å; M847-F927 HydrophobicContact CE-CE2 3.3Å; M847-F927 HydrophobicContact CE-CZ 4.36Å; M847-F927 HydrophobicContact SD-CD2 4.29Å; C882-F927 PolarHBondContact O-N 3.05Å; V883-F927 CarbonylContact C-O 3.53Å; V883-F927 WeakPolarHBondContact CA-O 3.44Å; V883-F927 HydrophobicContact CG2-CB 4.38Å; V884-F927 PolarHBondContact N-O 3.18Å
928V90.3Very high81.6Confident3 Ų337 Ų372%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-113.3125.9178.8-173.90000109.7T822 G823 V824 F873 V884 F886 L917 L920 F948T822-V928 PolarHBondContact O-N 3.48Å; G823-V928 CarbonylContact C-O 3.56Å; G823-V928 VanDerWaalsContact CA-O 3.27Å; G823-V928 WeakPolarHBondContact CA-O 3.32Å; V824-V928 PolarHBondContact N-O 3.28Å; F873-V928 HydrophobicContact CE1-CG2 4.27Å; V884-V928 CarbonylContact O-C 3.52Å; V884-V928 WeakPolarHBondContact O-CA 3.26Å; F886-V928 HydrophobicContact CD2-CG1 3.65Å; F886-V928 HydrophobicContact CE2-CG1 3.67Å; L917-V928 HydrophobicContact CD2-CB 4.27Å; L917-V928 HydrophobicContact CD2-CG1 4.05Å; L917-V928 HydrophobicContact CD2-CG2 3.88Å; L920-V928 HydrophobicContact CD1-CG2 3.65Å; V928-F948 HydrophobicContact CG1-CE1 3.93Å; V928-F948 HydrophobicContact CG1-CZ 4.12Å
929I91.7Very high81.8Confident3 Ų334.1 Ų34.12%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-117.9116.2173.6-57.9179.6000107.8V824 L826 A838 V883 V884 F885 F886V824-I929 CarbonylContact O-C 3.6Å; V824-I929 VanDerWaalsContact O-CA 3.3Å; V824-I929 WeakPolarHBondContact O-CA 3.24Å; L826-I929 HydrophobicContact CD1-CG2 3.79Å; L826-I929 HydrophobicContact CG-CG2 3.96Å; A838-I929 HydrophobicContact CB-CG2 4.22Å; V883-I929 HydrophobicContact CG1-CD1 3.66Å; V883-I929 HydrophobicContact CG1-CG1 3.92Å; V884-I929 PolarHBondContact O-N 3.37Å; F885-I929 CarbonylContact C-O 3.55Å; F885-I929 VanDerWaalsContact CA-O 3.26Å; F885-I929 WeakPolarHBondContact CA-O 3.39Å; F885-I929 HydrophobicContact CD2-CB 3.99Å; F885-I929 HydrophobicContact CD2-CG2 3.78Å; F885-I929 WeakPolarHBondContact CD2-O 3.39Å; F885-I929 HydrophobicContact CE2-CG2 4.06Å; F886-I929 PolarHBondContact N-O 3.2Å
930G92.5Very high82Confident0 Ų039 Ų390%022%0.22CC..EExtended strand (participates in β ladder)trans-95.2143.1171.100000110.5V824 L826 F886V824-G930 PolarHBondContact O-N 3.33Å; L826-G930 PolarHBondContact N-O 2.88Å; F886-G930 CarbonylContact O-C 3.52Å
931A93.2Very high82.6Confident1 Ų140 Ų401%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-121.4135.1167.100000110.4L826 K834 F885 F886 E888 L889L826-A931 WeakPolarHBondContact O-CA 3.32Å; K834-A931 HydrophobicContact CB-CB 4.3Å; F885-A931 HydrophobicContact CE2-CB 3.71Å; F885-A931 HydrophobicContact CZ-CB 3.59Å; F886-A931 PolarHBondContact O-N 2.81Å; E888-A931 PolarHBondContact N-O 3.12Å; L889-A931 PolarHBondContact N-O 3.4Å
932T91.4Very high83.7Confident1 Ų136.3 Ų36.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-141.3145.9172.6-175.60000111.5L825 L826 Y827 D890 R934 P935 L938L825-T932 HydrophobicContact CD1-CG2 4.26Å; L826-T932 PolarHBondContact O-N 3.19Å; Y827-T932 VanDerWaalsContact CA-O 3.31Å; Y827-T932 WeakPolarHBondContact CA-O 3.33Å; D890-T932 WeakPolarHBondContact CB-OG1 3.47Å; D890-T932 VanDerWaalsContact CG-OG1 3.24Å; D890-T932 PolarHBondContact OD1-OG1 3.07Å; T932-R934 PolarHBondContact OG1-N 3.36Å; T932-R934 VanDerWaalsContact OG1-N 3.08Å; T932-P935 HydrophobicContact CG2-CB 4.19Å; T932-L938 HydrophobicContact CG2-CD1 4.47Å
933N90.4Very high84.8Confident47 Ų4733.5 Ų33.525%0.25119%0.186SC..SBendtrans-91.6-18169.5-62.1-43.7000111.6K834 Y1054K834-N933 WeakPolarHBondContact CE-OD1 3.1Å; N933-Y1054 WeakPolarHBondContact O-CE1 3.38Å; N933-Y1054 PolarHBondContact O-OH 2.98Å; N933-Y1054 VanDerWaalsContact O-OH 3.05Å
934R87.7Confident86.1Confident130 Ų13038.8 Ų38.849%0.49120%0.199SC..  trans-132.877.6-173.4-68.9-171.4177.7-179.71111.1T932 D936 L937T932-R934 PolarHBondContact OG1-N 3.36Å; T932-R934 VanDerWaalsContact OG1-N 3.08Å; R934-D936 VanDerWaalsContact C-OD1 3.31Å; R934-D936 WeakPolarHBondContact CA-OD1 3.25Å; R934-D936 WeakPolarHBondContact CB-OD1 3.27Å; R934-D936 PolarHBondContact O-N 2.95Å; R934-L937 HydrophobicContact CB-CB 4.41Å; R934-L937 HydrophobicContact CB-CD1 4.05Å; R934-L937 HydrophobicContact CB-CG 4.17Å; R934-L937 HydrophobicContact CG-CD1 4.48Å; R934-L937 PolarHBondContact O-N 3.16Å
935P87.8Confident86.7Confident12 Ų1240.8 Ų40.88%0.07821%0.205CC..G310 helixtrans-65.5-18.3179.130.9-38.5000113Y827 T932 L937 L938 I1057 L1061Y827-P935 HydrophobicContact CD2-CB 4.48Å; Y827-P935 HydrophobicContact CD2-CG 3.96Å; Y827-P935 HydrophobicContact CG-CB 4.47Å; Y827-P935 HydrophobicContact CG-CG 4.37Å; T932-P935 HydrophobicContact CG2-CB 4.19Å; P935-L937 VanDerWaalsContact C-N 3.29Å; P935-L937 PolarHBondContact O-N 3.23Å; P935-L938 PolarHBondContact O-N 3.32Å; P935-I1057 HydrophobicContact CG-CG2 3.69Å; P935-L1061 HydrophobicContact CB-CD1 4.01Å; P935-L1061 HydrophobicContact CG-CD1 4.18Å
936D85.8Confident86.8Confident55 Ų5540.3 Ų40.329%0.29420%0.201SC..G310 helixtrans-69.4-23175.658.4-41.1000113.8N895 R934 R1053N895-D936 PolarHBondContact ND2-O 3.37Å; N895-D936 VanDerWaalsContact ND2-O 3.12Å; R934-D936 VanDerWaalsContact C-OD1 3.31Å; R934-D936 WeakPolarHBondContact CA-OD1 3.25Å; R934-D936 WeakPolarHBondContact CB-OD1 3.27Å; R934-D936 PolarHBondContact O-N 2.95Å; D936-R1053 IonicContact OD2-CZ 3.65Å; D936-R1053 IonicContact OD2-NH2 3.93Å; D936-R1053 PolarHBondContact OD2-NH2 3.19Å
937L85.6Confident86.9Confident54 Ų5441.9 Ų41.928%0.28321%0.206SC..G310 helixtrans-90.5-11.2177.8-63.8-177.8000113.3P894 N895 R934 P935P894-L937 CarbonylContact C-O 3.56Å; P894-L937 WeakPolarHBondContact CA-O 3.44Å; N895-L937 PolarHBondContact N-O 2.89Å; R934-L937 HydrophobicContact CB-CB 4.41Å; R934-L937 HydrophobicContact CB-CD1 4.05Å; R934-L937 HydrophobicContact CB-CG 4.17Å; R934-L937 HydrophobicContact CG-CD1 4.48Å; R934-L937 PolarHBondContact O-N 3.16Å; P935-L937 VanDerWaalsContact C-N 3.29Å; P935-L937 PolarHBondContact O-N 3.23Å
938L87.8Confident86.8Confident5 Ų541.3 Ų41.33%0.02620%0.204CC..BIsolated β-bridgetrans-83.4142.8-171.8-171.3134.6000112.4L825 L889 N895 T932 P935 Q940 L942 L943L825-L938 HydrophobicContact CD2-CD2 4.46Å; L889-L938 HydrophobicContact CB-CD1 4.19Å; L889-L938 HydrophobicContact CD2-CD1 3.75Å; L889-L938 HydrophobicContact CG-CD1 3.82Å; N895-L938 PolarHBondContact ND2-O 3.46Å; N895-L938 PolarHBondContact OD1-O 2.96Å; T932-L938 HydrophobicContact CG2-CD1 4.47Å; P935-L938 PolarHBondContact O-N 3.32Å; L938-Q940 PolarHBondContact O-N 3.18Å; L938-L942 HydrophobicContact CD1-CD1 4.31Å; L938-L942 HydrophobicContact CD2-CB 3.95Å; L938-L942 HydrophobicContact CD2-CD1 3.88Å; L938-L942 HydrophobicContact CG-CD1 3.98Å; L938-L943 HydrophobicContact CD2-CD2 4.18Å; L938-L943 HydrophobicContact CD2-CG 4.24Å
939D87.9Confident86.3Confident9 Ų943.7 Ų43.75%0.04822%0.216CC..  trans-61.8118.8176.4-175.6-6.3000111.4A893 N895 R896 S941 L942A893-D939 PolarHBondContact O-N 3.38Å; A893-D939 VanDerWaalsContact O-N 3.12Å; N895-D939 WeakPolarHBondContact OD1-CA 3.42Å; R896-D939 IonicContact CZ-OD2 2.62Å; R896-D939 IonicContact NE-OD2 3.72Å; R896-D939 PolarHBondContact NE-OD2 2.97Å; R896-D939 IonicContact NH2-OD2 3.23Å; D939-S941 PolarHBondContact O-N 3.27Å; D939-S941 VanDerWaalsContact OD1-CB 3.24Å; D939-S941 WeakPolarHBondContact OD1-CB 3.42Å; D939-S941 PolarHBondContact OD1-N 3.32Å; D939-S941 PolarHBondContact OD1-OG 3.44Å; D939-S941 PolarHBondContact OD2-OG 3.43Å; D939-L942 WeakPolarHBondContact O-CB 3.37Å; D939-L942 PolarHBondContact O-N 3.1Å
940Q85.6Confident86Confident149 Ų14946.1 Ų46.170%0.69623%0.227SC*.G310 helixtrans-56.6-20.6177.8-64.9-175.5-3.600113.4L938 L942 L943L938-Q940 PolarHBondContact O-N 3.18Å; Q940-L942 PolarHBondContact O-N 3.44Å; Q940-L943 PolarHBondContact O-N 3.25Å; Q940-L943 VanDerWaalsContact O-N 3.14Å
941S86.6Confident85.8Confident23 Ų2348.8 Ų48.816%0.16124%0.241CC..G310 helixtrans-59.9-29.2174.7-53.70000112.8D939 L943 R947D939-S941 PolarHBondContact O-N 3.27Å; D939-S941 VanDerWaalsContact OD1-CB 3.24Å; D939-S941 WeakPolarHBondContact OD1-CB 3.42Å; D939-S941 PolarHBondContact OD1-N 3.32Å; D939-S941 PolarHBondContact OD1-OG 3.44Å; D939-S941 PolarHBondContact OD2-OG 3.43Å; S941-L943 VanDerWaalsContact C-N 3.33Å; S941-R947 WeakPolarHBondContact O-CD 3.44Å; S941-R947 PolarHBondContact O-NH1 3.01Å
942L85.5Confident85.6Confident0 Ų048.9 Ų48.90%024%0.241CC..G310 helixtrans-72.9-25.8178-72.1169.5000112.9L889 A893 L913 L914 L917 L938 D939 Q940 R944 R947 F948L889-L942 HydrophobicContact CD2-CD1 4.45Å; A893-L942 HydrophobicContact CB-CD1 3.46Å; A893-L942 VanDerWaalsContact CB-CD1 3.46Å; L913-L942 HydrophobicContact CD2-CD2 4.25Å; L914-L942 HydrophobicContact CD2-CD2 3.33Å; L914-L942 HydrophobicContact CD2-CG 4.02Å; L914-L942 HydrophobicContact CG-CD2 4.45Å; L917-L942 HydrophobicContact CD1-CD2 3.93Å; L938-L942 HydrophobicContact CD1-CD1 4.31Å; L938-L942 HydrophobicContact CD2-CB 3.95Å; L938-L942 HydrophobicContact CD2-CD1 3.88Å; L938-L942 HydrophobicContact CG-CD1 3.98Å; D939-L942 WeakPolarHBondContact O-CB 3.37Å; D939-L942 PolarHBondContact O-N 3.1Å; Q940-L942 PolarHBondContact O-N 3.44Å; L942-R944 VanDerWaalsContact C-N 3.26Å; L942-R944 PolarHBondContact O-N 2.9Å; L942-R947 WeakPolarHBondContact O-CB 3.32Å; L942-F948 HydrophobicContact CB-CD2 4Å; L942-F948 HydrophobicContact CB-CE2 4.34Å; L942-F948 HydrophobicContact CD2-CD2 4.42Å; L942-F948 HydrophobicContact CD2-CE2 4.06Å; L942-F948 WeakPolarHBondContact O-CD2 3.39Å; L942-F948 PolarHBondContact O-N 3.4Å
943L85.2Confident85.6Confident44 Ų4451.6 Ų51.623%0.2325%0.252CS..G310 helixtrans-83.4-1.2-178.2-56.5179.5000113.2L825 L938 Q940 S941 L951 L1061L825-L943 HydrophobicContact CD2-CD2 3.64Å; L938-L943 HydrophobicContact CD2-CD2 4.18Å; L938-L943 HydrophobicContact CD2-CG 4.24Å; Q940-L943 PolarHBondContact O-N 3.25Å; Q940-L943 VanDerWaalsContact O-N 3.14Å; S941-L943 VanDerWaalsContact C-N 3.33Å; L943-L951 HydrophobicContact CD2-CD1 4.34Å; L943-L951 HydrophobicContact CD2-CD2 3.53Å; L943-L951 HydrophobicContact CD2-CG 4.38Å; L943-L1061 HydrophobicContact CD1-CD2 4.06Å
944R85.4Confident85.5Confident157 Ų15749.4 Ų49.459%0.59224%0.24SC*.SBendtrans-70.1143.9179.4-67.7-173.7-177.5-173.91.9110.6L942 G946 R947L942-R944 VanDerWaalsContact C-N 3.26Å; L942-R944 PolarHBondContact O-N 2.9Å; R944-G946 PolarHBondContact O-N 3.45Å; R944-R947 PolarHBondContact O-N 2.95Å
945P77Confident85.3Confident124 Ų12443.7 Ų43.781%0.80522%0.221SC*.THydrogen-bonded Turntrans-53.3134.4174.3-24.132.8000111.2
946G74.3Confident85.1Confident12 Ų1244 Ų4412%0.12422%0.222CC..THydrogen-bonded Turntrans102.5-7.6-173.200000115.5Q921 R944 D949Q921-G946 PolarHBondContact NE2-O 2.76Å; R944-G946 PolarHBondContact O-N 3.45Å; G946-D949 WeakPolarHBondContact CA-OD1 3.41Å; G946-D949 PolarHBondContact N-OD1 3.02Å
947R85.6Confident84.8Confident36 Ų3642.8 Ų42.814%0.13622%0.216CC..SBendtrans-117.8-97.1-179.5-64.7167.8179.7173.7-3.2109.2G823 L917 D918 S941 L942 R944 D949G823-R947 VanDerWaalsContact CA-O 3.26Å; G823-R947 WeakPolarHBondContact CA-O 3.24Å; G823-R947 PolarHBondContact N-O 3.04Å; L917-R947 HydrophobicContact CB-CG 4.42Å; D918-R947 WeakPolarHBondContact OD1-CG 3.46Å; D918-R947 IonicContact OD1-CZ 2.64Å; D918-R947 IonicContact OD1-NE 4Å; D918-R947 PolarHBondContact OD1-NE 3.45Å; D918-R947 IonicContact OD1-NH2 3.7Å; D918-R947 PolarHBondContact OD1-NH2 2.74Å; D918-R947 IonicContact OD2-CZ 3.87Å; D918-R947 IonicContact OD2-NE 3.62Å; D918-R947 IonicContact OD2-NH2 2.81Å; D918-R947 PolarHBondContact OD2-NH2 2.94Å; S941-R947 WeakPolarHBondContact O-CD 3.44Å; S941-R947 PolarHBondContact O-NH1 3.01Å; L942-R947 WeakPolarHBondContact O-CB 3.32Å; R944-R947 PolarHBondContact O-N 2.95Å; R947-D949 PolarHBondContact N-OD1 3.34Å; R947-D949 PolarHBondContact O-N 2.81Å
948F86.4Confident84.1Confident3 Ų345.9 Ų45.91%0.01323%0.229CC..SBendtrans-91.283.6168.3-67.3-71.3000109.9L825 L889 L917 V928 L942 K950L825-F948 HydrophobicContact CB-CB 4.05Å; L825-F948 HydrophobicContact CB-CD1 4.03Å; L825-F948 HydrophobicContact CB-CG 4.1Å; L889-F948 HydrophobicContact CD2-CE2 3.65Å; L889-F948 HydrophobicContact CD2-CZ 3.7Å; L917-F948 HydrophobicContact CD1-CE2 4.16Å; V928-F948 HydrophobicContact CG1-CE1 3.93Å; V928-F948 HydrophobicContact CG1-CZ 4.12Å; L942-F948 HydrophobicContact CB-CD2 4Å; L942-F948 HydrophobicContact CB-CE2 4.34Å; L942-F948 HydrophobicContact CD2-CD2 4.42Å; L942-F948 HydrophobicContact CD2-CE2 4.06Å; L942-F948 WeakPolarHBondContact O-CD2 3.39Å; L942-F948 PolarHBondContact O-N 3.4Å; F948-K950 VanDerWaalsContact C-N 3.3Å; F948-K950 PolarHBondContact O-N 3.33Å
949D79.3Confident83.9Confident52 Ų5250.7 Ų50.728%0.27826%0.255SS..  trans-67.8-30.5-176.4-70.4-12.8000113.4R821 G823 G946 R947R821-D949 WeakPolarHBondContact CA-OD2 3.37Å; G823-D949 PolarHBondContact O-N 3.35Å; G823-D949 VanDerWaalsContact O-N 3.11Å; G946-D949 WeakPolarHBondContact CA-OD1 3.41Å; G946-D949 PolarHBondContact N-OD1 3.02Å; R947-D949 PolarHBondContact N-OD1 3.34Å; R947-D949 PolarHBondContact O-N 2.81Å
950K85.1Confident83.7Confident55 Ų5554.4 Ų54.424%0.23927%0.268CS..EExtended strand (participates in β ladder)trans-119.5117.9-174.5-76.7-60.7-155.9151.60111.4E800 G823 V824 L825 F948E800-K950 IonicContact OE1-NZ 3.33Å; E800-K950 PolarHBondContact OE1-NZ 2.66Å; G823-K950 PolarHBondContact O-N 3.41Å; V824-K950 CarbonylContact C-O 3.57Å; V824-K950 WeakPolarHBondContact CA-O 3.41Å; V824-K950 HydrophobicContact CG2-CB 4.34Å; L825-K950 PolarHBondContact N-O 3.25Å; F948-K950 VanDerWaalsContact C-N 3.3Å; F948-K950 PolarHBondContact O-N 3.33Å
951L88.4Confident83.7Confident56 Ų5650.6 Ų50.629%0.29326%0.262SS..EExtended strand (participates in β ladder)trans-99.9110.8176.7-73.2159.3000108.9L825 Y827 L943L825-L951 HydrophobicContact CB-CD2 3.91Å; L825-L951 HydrophobicContact CD2-CD2 3.62Å; L825-L951 HydrophobicContact CG-CD2 4.17Å; Y827-L951 HydrophobicContact CD1-CD2 4.46Å; Y827-L951 HydrophobicContact CE1-CB 4.02Å; Y827-L951 HydrophobicContact CE1-CD2 4.35Å; L943-L951 HydrophobicContact CD2-CD1 4.34Å; L943-L951 HydrophobicContact CD2-CD2 3.53Å; L943-L951 HydrophobicContact CD2-CG 4.38Å
952V89.4Confident83.6Confident3 Ų350.2 Ų50.22%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-113.4116-175.8-1750000109.7V797 E800 V824 L825 L826 Y827V797-V952 HydrophobicContact CB-CG1 4.13Å; V797-V952 HydrophobicContact CG1-CG1 3.68Å; V797-V952 HydrophobicContact CG2-CG1 3.83Å; E800-V952 HydrophobicContact CG-CG2 4.48Å; V824-V952 HydrophobicContact CG1-CG2 3.86Å; L825-V952 PolarHBondContact O-N 3.33Å; L826-V952 HydrophobicContact CD2-CB 3.97Å; L826-V952 HydrophobicContact CD2-CG1 4.35Å; Y827-V952 PolarHBondContact N-O 2.96Å; Y827-V952 VanDerWaalsContact N-O 3.1Å
953Y90.1Very high83.6Confident58 Ų5850.6 Ų50.623%0.22726%0.261CS..EExtended strand (participates in β ladder)trans-80.2120177178.6-115.3000110.6Y827 H1058Y827-Y953 AromaticContact CD2-CD2 3.89Å; Y827-Y953 HydrophobicContact CD2-CD2 3.89Å; Y827-Y953 AromaticContact CE2-CD2 3.55Å; Y827-Y953 HydrophobicContact CE2-CD2 3.55Å; Y827-Y953 HydrophobicContact CE2-CE2 4.45Å; Y827-Y953 HydrophobicContact CE2-CG 4.25Å; Y953-H1058 AromaticContact CG-ND1 3.86Å
954V89.4Confident83.8Confident0 Ų049.9 Ų49.90%026%0.257CS..  trans-106.580.9176.6-170.80000108.7L794 V797 L826 Y827 T832 K834 L837L794-V954 HydrophobicContact CD1-CG1 3.92Å; L794-V954 HydrophobicContact CD2-CG1 4.43Å; V797-V954 HydrophobicContact CG1-CG2 4.31Å; L826-V954 HydrophobicContact CB-CG2 4.37Å; L826-V954 HydrophobicContact CD2-CG2 4.34Å; Y827-V954 PolarHBondContact O-N 2.81Å; T832-V954 PolarHBondContact OG1-O 3.18Å; T832-V954 VanDerWaalsContact OG1-O 3.08Å; K834-V954 HydrophobicContact CG-CB 4.05Å; K834-V954 HydrophobicContact CG-CG1 4.28Å; K834-V954 HydrophobicContact CG-CG2 4.17Å; L837-V954 HydrophobicContact CD2-CG2 4.22Å
955G83.8Confident84Confident10 Ų1045.6 Ų45.610%0.10324%0.244CC..  trans-77.5177179.300000114.2
956I84.1Confident84.6Confident19 Ų1940.5 Ų40.510%0.09721%0.21CC..  trans-75.5141.2169.8-61.4169000108P829 T832 E958 M993 V1046 M1051P829-I956 HydrophobicContact CG-CD1 4.26Å; P829-I956 HydrophobicContact CG-CG1 3.95Å; T832-I956 HydrophobicContact CG2-CG1 4.08Å; I956-E958 PolarHBondContact O-N 2.97Å; I956-M993 WeakPolarHBondContact CG2-O 3.5Å; I956-V1046 HydrophobicContact CD1-CB 3.93Å; I956-V1046 HydrophobicContact CD1-CG1 3.88Å; I956-V1046 HydrophobicContact CD1-CG2 4.06Å; I956-M1051 HydrophobicContact CD1-CG 4.17Å; I956-M1051 HydrophobicContact CD1-SD 3.94Å
957N78.4Confident85.3Confident30 Ų3040 Ų4016%0.1621%0.205CC..  trans-73.5109.7177.1-68.4-32.4000109.6Q963 V966N957-Q963 HydrophobicContact CB-CG 4.27Å; N957-Q963 WeakPolarHBondContact O-CG 3.47Å; N957-Q963 PolarHBondContact O-NE2 3.07Å; N957-V966 VanDerWaalsContact ND2-CG2 3.32Å; N957-V966 WeakPolarHBondContact ND2-CG2 3.46Å
958E71.1Confident85.5Confident118 Ų11842.6 Ų42.655%0.55122%0.219SC*.  trans-80.4-27.3175.5-65.4179.6-159.400111.8I956 R960 R1055I956-E958 PolarHBondContact O-N 2.97Å; E958-R960 PolarHBondContact O-N 3.49Å; E958-R1055 VanDerWaalsContact CD-NH2 3.31Å; E958-R1055 IonicContact OE1-CZ 2.92Å; E958-R1055 IonicContact OE1-NE 3.95Å; E958-R1055 IonicContact OE1-NH2 3.11Å; E958-R1055 PolarHBondContact OE1-NH2 3.47Å; E958-R1055 IonicContact OE2-NH2 3.93Å; E958-R1055 PolarHBondContact OE2-NH2 3.24Å
959D82.8Confident85.6Confident107 Ų10743 Ų4357%0.57222%0.222SC*.SBendtrans-72.7128-179.5-54.9-46.2000111.7A961 S962 Q963D959-A961 PolarHBondContact O-N 3.46Å; D959-S962 PolarHBondContact O-N 3.46Å; D959-Q963 WeakPolarHBondContact O-CG 3.02Å; D959-Q963 PolarHBondContact O-N 3.02Å
960R83.6Confident86Confident87 Ų8741.5 Ų41.533%0.32821%0.214SC..Hα-helixtrans-57.9-35.6174.4-66.6-58.7-162176.612112.5E958 Q963 L964 V986 C989E958-R960 PolarHBondContact O-N 3.49Å; R960-Q963 PolarHBondContact O-N 3.33Å; R960-L964 WeakPolarHBondContact O-CB 3.43Å; R960-L964 PolarHBondContact O-N 3.4Å; R960-V986 PolarHBondContact NH1-O 2.83Å; R960-C989 PolarHBondContact NH1-O 2.94Å; R960-C989 PolarHBondContact NH2-O 3.05Å
961A85.9Confident86.2Confident69 Ų6939.1 Ų39.157%0.5720%0.204SC*.Hα-helixtrans-63.4-43.4175.100000112.1D959 L964 Q965D959-A961 PolarHBondContact O-N 3.46Å; A961-L964 WeakPolarHBondContact O-CB 3.33Å; A961-L964 PolarHBondContact O-N 2.9Å; A961-Q965 WeakPolarHBondContact O-CG 3.35Å; A961-Q965 PolarHBondContact O-N 2.91Å
962S85.4Confident86.1Confident14 Ų1443.6 Ų43.610%0.09822%0.217CC..Hα-helixtrans-68.5-39.3177.6-62.70000111.9D959 L964 Q965 V966D959-S962 PolarHBondContact O-N 3.46Å; S962-L964 VanDerWaalsContact C-N 3.33Å; S962-L964 PolarHBondContact O-N 3.21Å; S962-Q965 PolarHBondContact O-N 3.3Å; S962-V966 WeakPolarHBondContact O-CG2 3.38Å; S962-V966 PolarHBondContact O-N 3.42Å
963Q86.1Confident85.9Confident9 Ų951 Ų514%0.04225%0.249CC..Hα-helixtrans-61.6-41.1173.6-69.9179.7-8.300111.9N957 D959 R960 V966 L967 V986 T991N957-Q963 HydrophobicContact CB-CG 4.27Å; N957-Q963 WeakPolarHBondContact O-CG 3.47Å; N957-Q963 PolarHBondContact O-NE2 3.07Å; D959-Q963 WeakPolarHBondContact O-CG 3.02Å; D959-Q963 PolarHBondContact O-N 3.02Å; R960-Q963 PolarHBondContact O-N 3.33Å; Q963-V966 PolarHBondContact O-N 2.74Å; Q963-L967 WeakPolarHBondContact O-CB 3.42Å; Q963-L967 PolarHBondContact O-N 3.5Å; Q963-V986 HydrophobicContact CB-CG1 3.9Å; Q963-T991 PolarHBondContact NE2-O 2.95Å
964L89.1Confident85.7Confident29 Ų2950.1 Ų50.115%0.15225%0.246CC..Hα-helixtrans-62-45.8175.3-173.4163.2000111.5R960 A961 S962 V966 L967 Q968 Q983 V986R960-L964 WeakPolarHBondContact O-CB 3.43Å; R960-L964 PolarHBondContact O-N 3.4Å; A961-L964 WeakPolarHBondContact O-CB 3.33Å; A961-L964 PolarHBondContact O-N 2.9Å; S962-L964 VanDerWaalsContact C-N 3.33Å; S962-L964 PolarHBondContact O-N 3.21Å; L964-V966 VanDerWaalsContact C-N 3.32Å; L964-V966 PolarHBondContact O-N 3.03Å; L964-L967 PolarHBondContact O-N 3.3Å; L964-Q968 HydrophobicContact CD2-CG 3.9Å; L964-Q968 WeakPolarHBondContact O-CB 3.35Å; L964-Q968 WeakPolarHBondContact O-CG 3.45Å; L964-Q968 PolarHBondContact O-N 3.4Å; L964-Q983 HydrophobicContact CD1-CB 4.48Å; L964-Q983 HydrophobicContact CD1-CG 3.47Å; L964-Q983 VanDerWaalsContact CD1-CG 3.47Å; L964-V986 HydrophobicContact CB-CG2 4.09Å; L964-V986 HydrophobicContact CG-CG2 4.47Å
965Q88.6Confident85.6Confident66 Ų6655.4 Ų55.431%0.30827%0.271SS..Hα-helixtrans-60-40.9175.6-70.9179.8-1.600112.2G793 A961 S962 Q968 A969G793-Q965 VanDerWaalsContact N-OE1 3.1Å; A961-Q965 WeakPolarHBondContact O-CG 3.35Å; A961-Q965 PolarHBondContact O-N 2.91Å; S962-Q965 PolarHBondContact O-N 3.3Å; Q965-Q968 PolarHBondContact O-N 3.47Å; Q965-A969 WeakPolarHBondContact O-CB 3.35Å; Q965-A969 PolarHBondContact O-N 3.42Å
966V89.1Confident85.7Confident17 Ų1757.7 Ų57.710%0.10328%0.281CS..Hα-helixtrans-62.9-46175.3173.60000111.1G792 N957 S962 Q963 L964 Q968 A969 I970 L998G792-V966 VanDerWaalsContact O-CG2 3.23Å; G792-V966 WeakPolarHBondContact O-CG2 3.16Å; N957-V966 VanDerWaalsContact ND2-CG2 3.32Å; N957-V966 WeakPolarHBondContact ND2-CG2 3.46Å; S962-V966 WeakPolarHBondContact O-CG2 3.38Å; S962-V966 PolarHBondContact O-N 3.42Å; Q963-V966 PolarHBondContact O-N 2.74Å; L964-V966 VanDerWaalsContact C-N 3.32Å; L964-V966 PolarHBondContact O-N 3.03Å; V966-Q968 VanDerWaalsContact C-N 3.35Å; V966-Q968 PolarHBondContact O-N 3.39Å; V966-A969 PolarHBondContact O-N 3.36Å; V966-I970 HydrophobicContact CG1-CD1 3.83Å; V966-I970 WeakPolarHBondContact O-CG1 3.26Å; V966-I970 PolarHBondContact O-N 3.5Å; V966-L998 HydrophobicContact CB-CD1 4.25Å; V966-L998 HydrophobicContact CG1-CD1 3.73Å
967L88.8Confident85.9Confident3 Ų359.4 Ų59.42%0.01629%0.29CS..Hα-helixtrans-62.1-43.4178.4-174.267.1000111.2Q963 L964 A969 I970 L971 M985 V986Q963-L967 WeakPolarHBondContact O-CB 3.42Å; Q963-L967 PolarHBondContact O-N 3.5Å; L964-L967 PolarHBondContact O-N 3.3Å; L967-A969 PolarHBondContact O-N 2.83Å; L967-I970 PolarHBondContact O-N 2.92Å; L967-L971 HydrophobicContact CD1-CD1 4.06Å; L967-L971 HydrophobicContact CD1-CG 4.32Å; L967-L971 HydrophobicContact CD2-CD1 4.33Å; L967-L971 HydrophobicContact CG-CD1 3.74Å; L967-L971 HydrophobicContact CG-CG 4.36Å; L967-L971 WeakPolarHBondContact O-CB 3.45Å; L967-L971 VanDerWaalsContact O-CG 3.24Å; L967-L971 WeakPolarHBondContact O-CG 3.43Å; L967-L971 PolarHBondContact O-N 3.21Å; L967-M985 HydrophobicContact CD2-CB 4.35Å; L967-M985 HydrophobicContact CD2-CE 4.39Å; L967-V986 HydrophobicContact CB-CG2 4.47Å; L967-V986 HydrophobicContact CD2-CG2 3.64Å
968Q89.8Confident86.1Confident90 Ų9064.1 Ų64.142%0.42132%0.322SS..Hα-helixtrans-58.5-45.9174.4-79.7179.7-15.100112.3L964 Q965 V966 I970 L971 R972 L982L964-Q968 HydrophobicContact CD2-CG 3.9Å; L964-Q968 WeakPolarHBondContact O-CB 3.35Å; L964-Q968 WeakPolarHBondContact O-CG 3.45Å; L964-Q968 PolarHBondContact O-N 3.4Å; Q965-Q968 PolarHBondContact O-N 3.47Å; V966-Q968 VanDerWaalsContact C-N 3.35Å; V966-Q968 PolarHBondContact O-N 3.39Å; Q968-I970 PolarHBondContact O-N 3.46Å; Q968-L971 PolarHBondContact O-N 2.98Å; Q968-R972 WeakPolarHBondContact O-CG 3.47Å; Q968-R972 PolarHBondContact O-N 3.07Å; Q968-L982 HydrophobicContact CG-CD1 3.64Å
969A89.1Confident86.6Confident10 Ų1062.6 Ų62.68%0.08333%0.329CS..Hα-helixtrans-62.1-42.8178.800000111.9Q965 V966 L967Q965-A969 WeakPolarHBondContact O-CB 3.35Å; Q965-A969 PolarHBondContact O-N 3.42Å; V966-A969 PolarHBondContact O-N 3.36Å; L967-A969 PolarHBondContact O-N 2.83Å
970I88.8Confident86.6Confident22 Ų2258.5 Ų58.511%0.11331%0.309CS..Hα-helixtrans-64-45176.8-68.7166.6000111V966 L967 Q968 R972 K973 F974 L998 Y999 C1002V966-I970 HydrophobicContact CG1-CD1 3.83Å; V966-I970 WeakPolarHBondContact O-CG1 3.26Å; V966-I970 PolarHBondContact O-N 3.5Å; L967-I970 PolarHBondContact O-N 2.92Å; Q968-I970 PolarHBondContact O-N 3.46Å; I970-R972 PolarHBondContact O-N 2.58Å; I970-K973 PolarHBondContact O-N 3.43Å; I970-F974 HydrophobicContact CG2-CE2 4.03Å; I970-F974 WeakPolarHBondContact O-CD2 3.3Å; I970-L998 HydrophobicContact CD1-CB 3.83Å; I970-Y999 HydrophobicContact CG2-CD2 3.89Å; I970-C1002 HydrophobicContact CG2-CB 4.16Å
971L88.9Confident86.8Confident5 Ų557.9 Ų57.93%0.02631%0.311CS..Hα-helixtrans-69.7-15.6-174.7-73.5173.6000114.4L967 Q968 K973 F974 L976 L982 C1002 F1035L967-L971 HydrophobicContact CD1-CD1 4.06Å; L967-L971 HydrophobicContact CD1-CG 4.32Å; L967-L971 HydrophobicContact CD2-CD1 4.33Å; L967-L971 HydrophobicContact CG-CD1 3.74Å; L967-L971 HydrophobicContact CG-CG 4.36Å; L967-L971 WeakPolarHBondContact O-CB 3.45Å; L967-L971 VanDerWaalsContact O-CG 3.24Å; L967-L971 WeakPolarHBondContact O-CG 3.43Å; L967-L971 PolarHBondContact O-N 3.21Å; Q968-L971 PolarHBondContact O-N 2.98Å; L971-K973 PolarHBondContact O-N 3.15Å; L971-K973 VanDerWaalsContact O-N 3.08Å; L971-F974 HydrophobicContact CD2-CB 4.49Å; L971-F974 HydrophobicContact CD2-CD2 4.33Å; L971-F974 PolarHBondContact O-N 3.43Å; L971-L976 HydrophobicContact CB-CD1 3.96Å; L971-L976 HydrophobicContact CD1-CD1 4.06Å; L971-L976 HydrophobicContact CD1-CD2 4.2Å; L971-L976 HydrophobicContact CD2-CD2 4.09Å; L971-L976 HydrophobicContact CG-CD1 4.42Å; L971-L982 HydrophobicContact CD1-CD2 3.36Å; L971-C1002 HydrophobicContact CD2-CB 4.5Å; L971-F1035 HydrophobicContact CD2-CE1 4.48Å; L971-F1035 HydrophobicContact CD2-CZ 3.98Å
972R86.4Confident86.8Confident149 Ų14956.1 Ų56.156%0.56229%0.293SS*.THydrogen-bonded Turntrans-56.1-24.6171.4-72.7173.7179.1-152.5-1.3113.5E789 Q968 I970 F974E789-R972 IonicContact OE2-CZ 3.44Å; E789-R972 IonicContact OE2-NH1 3.98Å; E789-R972 PolarHBondContact OE2-NH1 3.46Å; E789-R972 IonicContact OE2-NH2 2.64Å; Q968-R972 WeakPolarHBondContact O-CG 3.47Å; Q968-R972 PolarHBondContact O-N 3.07Å; I970-R972 PolarHBondContact O-N 2.58Å; R972-F974 VanDerWaalsContact C-N 3.32Å
973K84.3Confident86.8Confident158 Ų15861.1 Ų61.169%0.68731%0.314SS*.THydrogen-bonded Turntrans-81.6-11176.9-62.9-177.6-178.2177.30113.5I970 L971I970-K973 PolarHBondContact O-N 3.43Å; L971-K973 PolarHBondContact O-N 3.15Å; L971-K973 VanDerWaalsContact O-N 3.08Å
974F87Confident86.8Confident40 Ų4064.4 Ų64.418%0.17533%0.332CS..SBendtrans-119.8155.3-173.3-58.2-90000111.1I970 L971 R972 Y999 C1002 M1006 L1030I970-F974 HydrophobicContact CG2-CE2 4.03Å; I970-F974 WeakPolarHBondContact O-CD2 3.3Å; L971-F974 HydrophobicContact CD2-CB 4.49Å; L971-F974 HydrophobicContact CD2-CD2 4.33Å; L971-F974 PolarHBondContact O-N 3.43Å; R972-F974 VanDerWaalsContact C-N 3.32Å; F974-Y999 HydrophobicContact CZ-CE2 4.44Å; F974-C1002 HydrophobicContact CE2-CB 4.09Å; F974-C1002 HydrophobicContact CZ-CB 4.25Å; F974-M1006 HydrophobicContact CD1-CB 4.37Å; F974-M1006 HydrophobicContact CD1-CG 4.35Å; F974-M1006 HydrophobicContact CD1-SD 4.26Å; F974-M1006 HydrophobicContact CE1-CB 4.16Å; F974-M1006 HydrophobicContact CE1-CG 4.31Å; F974-L1030 HydrophobicContact CB-CD1 3.53Å; F974-L1030 HydrophobicContact CD1-CD1 4.18Å; F974-L1030 HydrophobicContact CG-CD1 4.08Å
975Q86.4Confident86.5Confident112 Ų11263.9 Ų63.952%0.52333%0.329SS..PPolyproline II helixtrans-95.9118.5175.8-67.3-179.8-10.300109.7L1029 L1030Q975-L1029 HydrophobicContact CB-CD2 4.19Å; Q975-L1030 PolarHBondContact O-N 3.11Å
976L87.1Confident86.4Confident58 Ų5861 Ų6130%0.30432%0.316SS..BIsolated β-bridgetrans-99.1144.6-177.5-72.8158.8000111L971 V980 L982 L1030 F1035L971-L976 HydrophobicContact CB-CD1 3.96Å; L971-L976 HydrophobicContact CD1-CD1 4.06Å; L971-L976 HydrophobicContact CD1-CD2 4.2Å; L971-L976 HydrophobicContact CD2-CD2 4.09Å; L971-L976 HydrophobicContact CG-CD1 4.42Å; L976-V980 HydrophobicContact CD2-CG1 4.49Å; L976-L982 HydrophobicContact CD1-CD2 4.42Å; L976-L1030 HydrophobicContact CD2-CB 4.23Å; L976-L1030 HydrophobicContact CD2-CD1 4.5Å; L976-F1035 HydrophobicContact CD2-CE2 4.16Å; L976-F1035 HydrophobicContact CD2-CZ 4.3Å
977D86.5Confident86.2Confident55 Ų5565 Ų6529%0.29434%0.337SS..PPolyproline II helixtrans-69.1130.5164.9-176-23.2000109.5A979 V980 L1030D977-A979 PolarHBondContact O-N 3.25Å; D977-A979 WeakPolarHBondContact OD1-CB 3.44Å; D977-A979 PolarHBondContact OD1-N 3.47Å; D977-V980 HydrophobicContact CB-CG2 4.12Å; D977-V980 WeakPolarHBondContact O-CB 3.14Å; D977-V980 PolarHBondContact O-N 2.7Å; D977-L1030 VanDerWaalsContact CB-O 3.31Å; D977-L1030 WeakPolarHBondContact CB-O 3.18Å; D977-L1030 PolarHBondContact N-O 3.44Å; D977-L1030 VanDerWaalsContact N-O 3.1Å
978P82.4Confident86Confident129 Ų12973.3 Ų73.384%0.83837%0.368SS*.THydrogen-bonded Turntrans-56.4-17.8177.123.8-36000114.4V980P978-V980 PolarHBondContact O-N 2.83Å
979A82.3Confident85.6Confident85 Ų8569.4 Ų69.470%0.70235%0.351SS*.THydrogen-bonded Turntrans-73.4-9.517500000114.3D977D977-A979 PolarHBondContact O-N 3.25Å; D977-A979 WeakPolarHBondContact OD1-CB 3.44Å; D977-A979 PolarHBondContact OD1-N 3.47Å
980V83Confident85.2Confident22 Ų2271.2 Ų71.213%0.13336%0.362CS..  trans-86.5118.6-174.4178.70000111.7L976 D977 P978 M985 A1032L976-V980 HydrophobicContact CD2-CG1 4.49Å; D977-V980 HydrophobicContact CB-CG2 4.12Å; D977-V980 WeakPolarHBondContact O-CB 3.14Å; D977-V980 PolarHBondContact O-N 2.7Å; P978-V980 PolarHBondContact O-N 2.83Å; V980-M985 HydrophobicContact CG1-CG 4.46Å; V980-M985 HydrophobicContact CG1-SD 3.36Å; V980-M985 WeakPolarHBondContact CG1-SD 3.5Å; V980-A1032 HydrophobicContact CG2-CB 4.47Å
981N87.2Confident84.5Confident73 Ų7374 Ų7439%0.3938%0.38SS..  trans-90.5116.8171.3-173.71.9000111.4Q983 D984 M985N981-Q983 VanDerWaalsContact C-N 3.34Å; N981-Q983 PolarHBondContact O-N 2.92Å; N981-Q983 PolarHBondContact OD1-N 2.95Å; N981-Q983 VanDerWaalsContact OD1-N 3.14Å; N981-D984 HydrophobicContact CB-CB 4.39Å; N981-D984 WeakPolarHBondContact CB-OD2 3.49Å; N981-D984 VanDerWaalsContact ND2-CG 3.26Å; N981-D984 PolarHBondContact ND2-OD1 3.26Å; N981-D984 PolarHBondContact ND2-OD2 3.47Å; N981-M985 WeakPolarHBondContact O-CG 3.4Å; N981-M985 PolarHBondContact O-N 2.88Å
982L86.1Confident84.1Confident33 Ų3375.5 Ų75.517%0.17339%0.387CS..Hα-helixtrans-68.7-29.3-178.5-60.1179000113.4Q968 L971 L976 M985 V986Q968-L982 HydrophobicContact CG-CD1 3.64Å; L971-L982 HydrophobicContact CD1-CD2 3.36Å; L976-L982 HydrophobicContact CD1-CD2 4.42Å; L982-M985 HydrophobicContact CD2-SD 4.19Å; L982-M985 PolarHBondContact O-N 3.33Å; L982-V986 WeakPolarHBondContact O-CG2 3.39Å; L982-V986 PolarHBondContact O-N 3.21Å
983Q86.5Confident83.9Confident118 Ų11868.8 Ų68.855%0.55136%0.361SS*.Hα-helixtrans-65.5-48.7178.6-74.6176.1-6.400110.8L964 N981 M985 V986 D987L964-Q983 HydrophobicContact CD1-CB 4.48Å; L964-Q983 HydrophobicContact CD1-CG 3.47Å; L964-Q983 VanDerWaalsContact CD1-CG 3.47Å; N981-Q983 VanDerWaalsContact C-N 3.34Å; N981-Q983 PolarHBondContact O-N 2.92Å; N981-Q983 PolarHBondContact OD1-N 2.95Å; N981-Q983 VanDerWaalsContact OD1-N 3.14Å; Q983-M985 PolarHBondContact O-N 3.29Å; Q983-V986 PolarHBondContact O-N 2.69Å; Q983-V986 VanDerWaalsContact O-N 3.11Å; Q983-D987 PolarHBondContact O-N 2.89Å
984D85.1Confident84.1Confident79 Ų7961.4 Ų61.442%0.42233%0.33SS..Hα-helixtrans-61.8-29.6179.3-60.6-24.7000112.3N981 R988N981-D984 HydrophobicContact CB-CB 4.39Å; N981-D984 WeakPolarHBondContact CB-OD2 3.49Å; N981-D984 VanDerWaalsContact ND2-CG 3.26Å; N981-D984 PolarHBondContact ND2-OD1 3.26Å; N981-D984 PolarHBondContact ND2-OD2 3.47Å; D984-R988 VanDerWaalsContact O-CG 3.29Å; D984-R988 WeakPolarHBondContact O-CG 3.3Å; D984-R988 PolarHBondContact O-N 2.74Å
985M83.8Confident84.1Confident18 Ų1860.8 Ų60.89%0.08934%0.335CS..Hα-helixtrans-70.2-45.3175.6-69.7178.158.200112.2L967 V980 N981 L982 Q983 D987 R988 C989 F1035L967-M985 HydrophobicContact CD2-CB 4.35Å; L967-M985 HydrophobicContact CD2-CE 4.39Å; V980-M985 HydrophobicContact CG1-CG 4.46Å; V980-M985 HydrophobicContact CG1-SD 3.36Å; V980-M985 WeakPolarHBondContact CG1-SD 3.5Å; N981-M985 WeakPolarHBondContact O-CG 3.4Å; N981-M985 PolarHBondContact O-N 2.88Å; L982-M985 HydrophobicContact CD2-SD 4.19Å; L982-M985 PolarHBondContact O-N 3.33Å; Q983-M985 PolarHBondContact O-N 3.29Å; M985-D987 VanDerWaalsContact C-N 3.29Å; M985-D987 PolarHBondContact O-N 2.79Å; M985-R988 PolarHBondContact O-N 3.12Å; M985-C989 PolarHBondContact O-N 3.21Å; M985-C989 PolarHBondContact O-SG 2.94Å; M985-F1035 HydrophobicContact CE-CB 3.92Å; M985-F1035 HydrophobicContact CE-CD1 3.26Å; M985-F1035 HydrophobicContact CE-CD2 3.4Å; M985-F1035 VanDerWaalsContact CE-CD2 3.4Å; M985-F1035 HydrophobicContact CE-CE1 3.46Å; M985-F1035 VanDerWaalsContact CE-CE1 3.46Å; M985-F1035 HydrophobicContact CE-CE2 3.59Å; M985-F1035 HydrophobicContact CE-CG 3.24Å; M985-F1035 HydrophobicContact CE-CZ 3.63Å; M985-F1035 HydrophobicContact SD-CD2 3.95Å; M985-F1035 HydrophobicContact SD-CE2 4.12Å; M985-F1035 HydrophobicContact SD-CG 4.29Å
986V85.4Confident84.2Confident6 Ų657.7 Ų57.74%0.03633%0.329CS..Hα-helixtrans-63.9-38.6178.9174.90000110.4R960 Q963 L964 L967 L982 Q983 R988 C989R960-V986 PolarHBondContact NH1-O 2.83Å; Q963-V986 HydrophobicContact CB-CG1 3.9Å; L964-V986 HydrophobicContact CB-CG2 4.09Å; L964-V986 HydrophobicContact CG-CG2 4.47Å; L967-V986 HydrophobicContact CB-CG2 4.47Å; L967-V986 HydrophobicContact CD2-CG2 3.64Å; L982-V986 WeakPolarHBondContact O-CG2 3.39Å; L982-V986 PolarHBondContact O-N 3.21Å; Q983-V986 PolarHBondContact O-N 2.69Å; Q983-V986 VanDerWaalsContact O-N 3.11Å; V986-R988 VanDerWaalsContact C-N 3.27Å; V986-R988 PolarHBondContact O-N 2.99Å; V986-C989 WeakPolarHBondContact O-CB 3.37Å; V986-C989 PolarHBondContact O-N 2.68Å
987D85.5Confident84.3Confident99 Ų9955.1 Ų55.153%0.52932%0.315SS..Hα-helixtrans-63.6-32.8177.6-73.6-22000113Q983 M985 C989Q983-D987 PolarHBondContact O-N 2.89Å; M985-D987 VanDerWaalsContact C-N 3.29Å; M985-D987 PolarHBondContact O-N 2.79Å; D987-C989 VanDerWaalsContact C-N 3.34Å
988R83.5Confident84.4Confident178 Ų17853 Ų5367%0.67230%0.304SS*.Hα-helixtrans-78.5-16.8175-67.9174.3-169.3-1614.3113.4D984 M985 V986 L1039D984-R988 VanDerWaalsContact O-CG 3.29Å; D984-R988 WeakPolarHBondContact O-CG 3.3Å; D984-R988 PolarHBondContact O-N 2.74Å; M985-R988 PolarHBondContact O-N 3.12Å; V986-R988 VanDerWaalsContact C-N 3.27Å; V986-R988 PolarHBondContact O-N 2.99Å; R988-L1039 HydrophobicContact CB-CD1 4.27Å
989C82.3Confident84.8Confident9 Ų952.3 Ų52.36%0.06129%0.285CS..SBendtrans-79.2141.9179.3-68.20000111.4R960 M985 V986 D987 M993R960-C989 PolarHBondContact NH1-O 2.94Å; R960-C989 PolarHBondContact NH2-O 3.05Å; M985-C989 PolarHBondContact O-N 3.21Å; M985-C989 PolarHBondContact O-SG 2.94Å; V986-C989 WeakPolarHBondContact O-CB 3.37Å; V986-C989 PolarHBondContact O-N 2.68Å; D987-C989 VanDerWaalsContact C-N 3.34Å; C989-M993 HydrophobicContact CB-SD 3.98Å
990P80.9Confident85.2Confident48 Ų4850 Ų5031%0.31227%0.266SS..  trans-52.8145.9168.8-24.432.1000112.3H992 M993P990-H992 VanDerWaalsContact C-N 3.27Å; P990-H992 PolarHBondContact O-N 3.47Å; P990-M993 HydrophobicContact CB-CG 4.34Å; P990-M993 HydrophobicContact CG-SD 4.44Å
991T74.1Confident85.6Confident80 Ų8049 Ų4949%0.49126%0.26SS..THydrogen-bonded Turntrans-69.4-20.7-175.648.60000114.1Q963Q963-T991 PolarHBondContact NE2-O 2.95Å
992H79.3Confident85.7Confident37 Ų3745.6 Ų45.617%0.17124%0.242CC..THydrogen-bonded Turntrans-108.533.9-172.952.1-90.5000113.9P990 P1044 M1051P990-H992 VanDerWaalsContact C-N 3.27Å; P990-H992 PolarHBondContact O-N 3.47Å; H992-P1044 WeakPolarHBondContact NE2-CG 3.44Å; H992-M1051 HydrophobicContact CB-CE 3.6Å; H992-M1051 HydrophobicContact CB-SD 4.04Å
993M83Confident86Confident7 Ų746.2 Ų46.23%0.03425%0.249CC..  trans-82.5132.1174.3-75-179.474.200111.9I956 C989 P990 D997 L998 L1001 F1042I956-M993 WeakPolarHBondContact CG2-O 3.5Å; C989-M993 HydrophobicContact CB-SD 3.98Å; P990-M993 HydrophobicContact CB-CG 4.34Å; P990-M993 HydrophobicContact CG-SD 4.44Å; M993-D997 HydrophobicContact CB-CB 4.01Å; M993-D997 HydrophobicContact CE-CB 3.83Å; M993-D997 WeakPolarHBondContact CE-O 3.44Å; M993-D997 HydrophobicContact CG-CB 4.23Å; M993-L998 HydrophobicContact CB-CD2 4.31Å; M993-L998 HydrophobicContact CB-CG 4.25Å; M993-L998 HydrophobicContact CE-CD2 3.74Å; M993-L998 HydrophobicContact CE-CG 4.2Å; M993-L998 HydrophobicContact SD-CD2 4.05Å; M993-L1001 HydrophobicContact CE-CB 4.06Å; M993-L1001 HydrophobicContact CE-CD2 4.07Å; M993-F1042 HydrophobicContact CE-CD1 4.04Å; M993-F1042 HydrophobicContact CE-CE1 3.55Å; M993-F1042 HydrophobicContact CE-CE2 4.49Å; M993-F1042 HydrophobicContact CE-CZ 3.84Å; M993-F1042 HydrophobicContact CG-CE1 4.23Å; M993-F1042 HydrophobicContact SD-CD1 4.49Å; M993-F1042 HydrophobicContact SD-CE1 4.18Å
994S87.8Confident86.2Confident3 Ų344 Ų442%0.02124%0.241CC..  trans-74.9167.2169.571.20000112A996 D997 L998S994-A996 PolarHBondContact O-N 3.4Å; S994-D997 WeakPolarHBondContact CB-OD2 3.23Å; S994-D997 PolarHBondContact N-OD2 3.44Å; S994-D997 WeakPolarHBondContact O-CB 3.37Å; S994-D997 PolarHBondContact O-N 2.91Å; S994-D997 VanDerWaalsContact O-N 3.12Å; S994-D997 PolarHBondContact OG-N 3.09Å; S994-D997 VanDerWaalsContact OG-N 3.13Å; S994-D997 PolarHBondContact OG-OD2 3.29Å; S994-L998 PolarHBondContact O-N 2.86Å
995G87.2Confident86.5Confident28 Ų2840.3 Ų40.329%0.28922%0.221SC..Hα-helixtrans-61-34.9173.500000112.5G831 L998 Y999G831-G995 PolarHBondContact O-N 2.64Å; G995-L998 PolarHBondContact O-N 2.96Å; G995-Y999 PolarHBondContact O-N 3.33Å
996A88.2Confident86.8Confident47 Ų4741.7 Ų41.739%0.38823%0.228SC..Hα-helixtrans-67-36.6173.300000112.5G831 S994 Y999 A1000G831-A996 PolarHBondContact O-N 2.87Å; S994-A996 PolarHBondContact O-N 3.4Å; A996-Y999 PolarHBondContact O-N 2.92Å; A996-A1000 WeakPolarHBondContact O-CB 3.5Å; A996-A1000 PolarHBondContact O-N 3.04Å
997D89.9Confident87.1Confident4 Ų444.3 Ų44.32%0.02124%0.244CC..Hα-helixtrans-64.5-44.6175.1-68.4-37.9000111.6M993 S994 Y999 A1000 L1001 F1042 S1045M993-D997 HydrophobicContact CB-CB 4.01Å; M993-D997 HydrophobicContact CE-CB 3.83Å; M993-D997 WeakPolarHBondContact CE-O 3.44Å; M993-D997 HydrophobicContact CG-CB 4.23Å; S994-D997 WeakPolarHBondContact CB-OD2 3.23Å; S994-D997 PolarHBondContact N-OD2 3.44Å; S994-D997 WeakPolarHBondContact O-CB 3.37Å; S994-D997 PolarHBondContact O-N 2.91Å; S994-D997 VanDerWaalsContact O-N 3.12Å; S994-D997 PolarHBondContact OG-N 3.09Å; S994-D997 VanDerWaalsContact OG-N 3.13Å; S994-D997 PolarHBondContact OG-OD2 3.29Å; D997-Y999 VanDerWaalsContact C-N 3.3Å; D997-Y999 PolarHBondContact O-N 2.59Å; D997-A1000 PolarHBondContact O-N 2.82Å; D997-L1001 WeakPolarHBondContact O-CB 3.36Å; D997-L1001 PolarHBondContact O-N 3.38Å; D997-F1042 HydrophobicContact CB-CE1 4.1Å; D997-F1042 HydrophobicContact CB-CE2 4.46Å; D997-F1042 HydrophobicContact CB-CZ 3.5Å; D997-F1042 VanDerWaalsContact CB-CZ 3.5Å; D997-S1045 WeakPolarHBondContact OD1-CB 3.47Å; D997-S1045 PolarHBondContact OD1-N 3.29Å; D997-S1045 PolarHBondContact OD1-OG 3.41Å
998L89.1Confident87.3Confident11 Ų1140.6 Ų40.66%0.05823%0.227CC..Hα-helixtrans-63.6-37.3175.8-69.3170.5000111.5V966 I970 M993 S994 G995 L1001 C1002V966-L998 HydrophobicContact CB-CD1 4.25Å; V966-L998 HydrophobicContact CG1-CD1 3.73Å; I970-L998 HydrophobicContact CD1-CB 3.83Å; M993-L998 HydrophobicContact CB-CD2 4.31Å; M993-L998 HydrophobicContact CB-CG 4.25Å; M993-L998 HydrophobicContact CE-CD2 3.74Å; M993-L998 HydrophobicContact CE-CG 4.2Å; M993-L998 HydrophobicContact SD-CD2 4.05Å; S994-L998 PolarHBondContact O-N 2.86Å; G995-L998 PolarHBondContact O-N 2.96Å; L998-L1001 PolarHBondContact O-N 3.29Å; L998-C1002 PolarHBondContact O-N 3.05Å; L998-C1002 PolarHBondContact O-SG 2.8Å
999Y90.2Very high87.7Confident114 Ų11432.2 Ų32.245%0.44720%0.196SC..Hα-helixtrans-66.2-44.8174.3-178.1-91.8000111.9I970 F974 G995 A996 D997 L1001 C1002 S1003I970-Y999 HydrophobicContact CG2-CD2 3.89Å; F974-Y999 HydrophobicContact CZ-CE2 4.44Å; G995-Y999 PolarHBondContact O-N 3.33Å; A996-Y999 PolarHBondContact O-N 2.92Å; D997-Y999 VanDerWaalsContact C-N 3.3Å; D997-Y999 PolarHBondContact O-N 2.59Å; Y999-L1001 VanDerWaalsContact C-N 3.31Å; Y999-L1001 PolarHBondContact O-N 3.28Å; Y999-C1002 PolarHBondContact O-N 3.37Å; Y999-S1003 WeakPolarHBondContact O-CB 3.13Å; Y999-S1003 PolarHBondContact O-N 2.97Å
1000A90.8Very high88Confident36 Ų3635 Ų3530%0.29821%0.209SC..Hα-helixtrans-60-42.7175.400000111.2A996 D997 C1002 S1003 D1004 F1042A996-A1000 WeakPolarHBondContact O-CB 3.5Å; A996-A1000 PolarHBondContact O-N 3.04Å; D997-A1000 PolarHBondContact O-N 2.82Å; A1000-C1002 PolarHBondContact O-N 3.2Å; A1000-S1003 WeakPolarHBondContact O-CB 3.38Å; A1000-S1003 PolarHBondContact O-N 3.34Å; A1000-D1004 PolarHBondContact O-N 3.07Å; A1000-F1042 HydrophobicContact CB-CE2 4.13Å
1001L90.8Very high88.5Confident2 Ų239.1 Ų39.11%0.0122%0.222CC..Hα-helixtrans-58.9-44.2174.8-177.570.4000112.2M993 D997 L998 Y999 D1004 A1005 A1038 L1039 F1042M993-L1001 HydrophobicContact CE-CB 4.06Å; M993-L1001 HydrophobicContact CE-CD2 4.07Å; D997-L1001 WeakPolarHBondContact O-CB 3.36Å; D997-L1001 PolarHBondContact O-N 3.38Å; L998-L1001 PolarHBondContact O-N 3.29Å; Y999-L1001 VanDerWaalsContact C-N 3.31Å; Y999-L1001 PolarHBondContact O-N 3.28Å; L1001-D1004 PolarHBondContact O-N 2.85Å; L1001-A1005 WeakPolarHBondContact O-CB 3.37Å; L1001-A1005 PolarHBondContact O-N 3.42Å; L1001-A1038 HydrophobicContact CD1-CB 3.69Å; L1001-L1039 HydrophobicContact CD1-CB 4.47Å; L1001-L1039 HydrophobicContact CD1-CD2 3.99Å; L1001-L1039 HydrophobicContact CD1-CG 3.86Å; L1001-L1039 HydrophobicContact CD2-CD2 3.94Å; L1001-L1039 HydrophobicContact CD2-CG 4.18Å; L1001-F1042 HydrophobicContact CB-CD2 4.49Å; L1001-F1042 HydrophobicContact CD1-CB 4.27Å; L1001-F1042 HydrophobicContact CD1-CD2 4.44Å; L1001-F1042 HydrophobicContact CD1-CG 4.34Å
1002C90.8Very high89.1Confident0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-66-38.1176.5-64.30000112.1I970 L971 F974 L998 Y999 A1000 A1005 M1006I970-C1002 HydrophobicContact CG2-CB 4.16Å; L971-C1002 HydrophobicContact CD2-CB 4.5Å; F974-C1002 HydrophobicContact CE2-CB 4.09Å; F974-C1002 HydrophobicContact CZ-CB 4.25Å; L998-C1002 PolarHBondContact O-N 3.05Å; L998-C1002 PolarHBondContact O-SG 2.8Å; Y999-C1002 PolarHBondContact O-N 3.37Å; A1000-C1002 PolarHBondContact O-N 3.2Å; C1002-A1005 PolarHBondContact O-N 2.89Å; C1002-M1006 WeakPolarHBondContact O-CB 3.11Å; C1002-M1006 PolarHBondContact O-N 3.46Å
1003S91.1Very high89.4Confident47 Ų4738 Ų3833%0.32921%0.208SC..Hα-helixtrans-65.6-39.8176-172.60000112.3Y999 A1000 M1006 T1007Y999-S1003 WeakPolarHBondContact O-CB 3.13Å; Y999-S1003 PolarHBondContact O-N 2.97Å; A1000-S1003 WeakPolarHBondContact O-CB 3.38Å; A1000-S1003 PolarHBondContact O-N 3.34Å; S1003-M1006 PolarHBondContact O-N 3.32Å; S1003-T1007 PolarHBondContact O-N 2.76Å; S1003-T1007 PolarHBondContact O-OG1 3.27Å
1004D91.8Very high89.7Confident72 Ų7241.8 Ų41.839%0.38523%0.228SC..Hα-helixtrans-68.9-41.2176.2-74.7-13.1000111.3A1000 L1001 M1006 T1007 A1008 A1038A1000-D1004 PolarHBondContact O-N 3.07Å; L1001-D1004 PolarHBondContact O-N 2.85Å; D1004-M1006 VanDerWaalsContact C-N 3.32Å; D1004-M1006 PolarHBondContact O-N 3.31Å; D1004-T1007 WeakPolarHBondContact O-CB 3.27Å; D1004-T1007 PolarHBondContact O-N 2.81Å; D1004-A1008 PolarHBondContact O-N 3.06Å; D1004-A1038 HydrophobicContact CB-CB 3.86Å
1005A91.1Very high89.6Confident0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-60.9-40.9172.800000111.5L1001 C1002 T1007 A1008 A1009 L1030 D1034 F1035 A1038L1001-A1005 WeakPolarHBondContact O-CB 3.37Å; L1001-A1005 PolarHBondContact O-N 3.42Å; C1002-A1005 PolarHBondContact O-N 2.89Å; A1005-T1007 VanDerWaalsContact C-N 3.32Å; A1005-T1007 PolarHBondContact O-N 3.05Å; A1005-A1008 WeakPolarHBondContact O-CB 2.88Å; A1005-A1008 PolarHBondContact O-N 3.27Å; A1005-A1009 PolarHBondContact O-N 3.08Å; A1005-L1030 HydrophobicContact CB-CD2 3.94Å; A1005-D1034 HydrophobicContact CB-CB 4.44Å; A1005-F1035 HydrophobicContact CB-CD1 3.47Å; A1005-F1035 VanDerWaalsContact CB-CD1 3.47Å; A1005-F1035 HydrophobicContact CB-CE1 3.64Å; A1005-F1035 HydrophobicContact CB-CG 3.97Å; A1005-F1035 HydrophobicContact CB-CZ 4.26Å; A1005-A1038 HydrophobicContact CB-CB 4.16Å
1006M91.2Very high89.5Confident47 Ų4749 Ų4923%0.23225%0.254CS..Hα-helixtrans-62.5-40.9174.2-174.466.3-176.100111.6F974 C1002 S1003 D1004 A1008 A1009 I1010 V1028 L1030F974-M1006 HydrophobicContact CD1-CB 4.37Å; F974-M1006 HydrophobicContact CD1-CG 4.35Å; F974-M1006 HydrophobicContact CD1-SD 4.26Å; F974-M1006 HydrophobicContact CE1-CB 4.16Å; F974-M1006 HydrophobicContact CE1-CG 4.31Å; C1002-M1006 WeakPolarHBondContact O-CB 3.11Å; C1002-M1006 PolarHBondContact O-N 3.46Å; S1003-M1006 PolarHBondContact O-N 3.32Å; D1004-M1006 VanDerWaalsContact C-N 3.32Å; D1004-M1006 PolarHBondContact O-N 3.31Å; M1006-A1008 VanDerWaalsContact C-N 3.32Å; M1006-A1008 PolarHBondContact O-N 3.06Å; M1006-A1009 PolarHBondContact O-N 2.94Å; M1006-I1010 HydrophobicContact CE-CD1 4.09Å; M1006-I1010 HydrophobicContact CE-CG1 4.17Å; M1006-I1010 HydrophobicContact CG-CD1 4.06Å; M1006-I1010 VanDerWaalsContact O-CG1 3.26Å; M1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; M1006-I1010 PolarHBondContact O-N 3.36Å; M1006-V1028 HydrophobicContact CE-CB 3.84Å; M1006-V1028 HydrophobicContact CE-CG1 3.77Å; M1006-V1028 HydrophobicContact CE-CG2 4.33Å; M1006-V1028 HydrophobicContact SD-CG1 4.1Å; M1006-L1030 HydrophobicContact CB-CD2 4.34Å; M1006-L1030 HydrophobicContact SD-CD2 4.44Å; M1006-L1030 HydrophobicContact SD-CG 4.37Å
1007T90.9Very high89.4Confident62 Ų6249.1 Ų49.138%0.3825%0.247SC..Hα-helixtrans-65.1-37.5176.5-54.90000111.6S1003 D1004 A1005 K1011S1003-T1007 PolarHBondContact O-N 2.76Å; S1003-T1007 PolarHBondContact O-OG1 3.27Å; D1004-T1007 WeakPolarHBondContact O-CB 3.27Å; D1004-T1007 PolarHBondContact O-N 2.81Å; A1005-T1007 VanDerWaalsContact C-N 3.32Å; A1005-T1007 PolarHBondContact O-N 3.05Å; T1007-K1011 WeakPolarHBondContact O-CG 3.03Å; T1007-K1011 PolarHBondContact O-N 3.31Å
1008A90.4Very high89.3Confident21 Ų2155 Ų5517%0.17428%0.278CS..Hα-helixtrans-64.8-44.1172.700000111.7D1004 A1005 M1006 I1010 K1011 R1012 D1034 S1037D1004-A1008 PolarHBondContact O-N 3.06Å; A1005-A1008 WeakPolarHBondContact O-CB 2.88Å; A1005-A1008 PolarHBondContact O-N 3.27Å; M1006-A1008 VanDerWaalsContact C-N 3.32Å; M1006-A1008 PolarHBondContact O-N 3.06Å; A1008-I1010 PolarHBondContact O-N 2.92Å; A1008-K1011 PolarHBondContact O-N 3.42Å; A1008-R1012 WeakPolarHBondContact O-CB 3.37Å; A1008-R1012 PolarHBondContact O-N 3.44Å; A1008-D1034 HydrophobicContact CB-CB 4.22Å; A1008-S1037 WeakPolarHBondContact CB-OG 3.1Å
1009A90.2Very high89.1Confident1 Ų160.1 Ų60.11%0.00831%0.306CS..Hα-helixtrans-62.6-41.2176.400000112.3A1005 M1006 R1012 K1013 V1028 L1030 D1034A1005-A1009 PolarHBondContact O-N 3.08Å; M1006-A1009 PolarHBondContact O-N 2.94Å; A1009-R1012 PolarHBondContact O-N 2.82Å; A1009-K1013 WeakPolarHBondContact O-CB 3.21Å; A1009-K1013 PolarHBondContact O-N 2.89Å; A1009-V1028 HydrophobicContact CB-CG1 3.92Å; A1009-L1030 HydrophobicContact CB-CD2 4.22Å; A1009-D1034 HydrophobicContact CB-CB 4.49Å
1010I90Very high88.5Confident68 Ų6857.9 Ų57.935%0.34932%0.318SS..Hα-helixtrans-62.6-44.1174.4-69165.6000110.6M1006 A1008 R1012 K1013 I1014 V1028M1006-I1010 HydrophobicContact CE-CD1 4.09Å; M1006-I1010 HydrophobicContact CE-CG1 4.17Å; M1006-I1010 HydrophobicContact CG-CD1 4.06Å; M1006-I1010 VanDerWaalsContact O-CG1 3.26Å; M1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; M1006-I1010 PolarHBondContact O-N 3.36Å; A1008-I1010 PolarHBondContact O-N 2.92Å; I1010-R1012 PolarHBondContact O-N 3.22Å; I1010-K1013 PolarHBondContact O-N 2.83Å; I1010-I1014 HydrophobicContact CG2-CD1 3.77Å; I1010-I1014 HydrophobicContact CG2-CG1 4.38Å; I1010-I1014 VanDerWaalsContact O-CG1 3.29Å; I1010-I1014 WeakPolarHBondContact O-CG1 3.47Å; I1010-I1014 PolarHBondContact O-N 2.82Å; I1010-V1028 HydrophobicContact CG1-CG1 4.32Å
1011K89.9Confident87.8Confident135 Ų13562.5 Ų62.559%0.58734%0.337SS*.Hα-helixtrans-61.7-43.5176.7-75.1173.5-179.3176.60112T1007 A1008 K1013 I1014 Q1015T1007-K1011 WeakPolarHBondContact O-CG 3.03Å; T1007-K1011 PolarHBondContact O-N 3.31Å; A1008-K1011 PolarHBondContact O-N 3.42Å; K1011-K1013 VanDerWaalsContact C-N 3.33Å; K1011-I1014 PolarHBondContact O-N 3.49Å; K1011-Q1015 WeakPolarHBondContact O-CG 3.31Å; K1011-Q1015 PolarHBondContact O-N 2.83Å; K1011-Q1015 VanDerWaalsContact O-N 3.1Å
1012R87.7Confident86.9Confident73 Ų7365.7 Ų65.728%0.27535%0.354SS..Hα-helixtrans-59.3-44.6174.7178169.260.393.72.3111A1008 A1009 I1010 Q1015 Q1016 L1029 S1031 D1034A1008-R1012 WeakPolarHBondContact O-CB 3.37Å; A1008-R1012 PolarHBondContact O-N 3.44Å; A1009-R1012 PolarHBondContact O-N 2.82Å; I1010-R1012 PolarHBondContact O-N 3.22Å; R1012-Q1015 WeakPolarHBondContact O-CB 3.38Å; R1012-Q1015 PolarHBondContact O-N 3.02Å; R1012-Q1016 WeakPolarHBondContact O-CG 3.42Å; R1012-Q1016 PolarHBondContact O-N 3.46Å; R1012-L1029 PolarHBondContact NH2-O 2.84Å; R1012-S1031 PolarHBondContact NH2-OG 3.08Å; R1012-D1034 IonicContact CZ-OD1 2.75Å; R1012-D1034 IonicContact CZ-OD2 3.6Å; R1012-D1034 IonicContact NE-OD1 3.69Å; R1012-D1034 PolarHBondContact NE-OD1 3.08Å; R1012-D1034 VanDerWaalsContact NE-OD1 3.17Å; R1012-D1034 IonicContact NE-OD2 3.55Å; R1012-D1034 PolarHBondContact NE-OD2 3.41Å; R1012-D1034 IonicContact NH2-OD1 3.83Å; R1012-D1034 IonicContact NH2-OD2 3.12Å; R1012-D1034 PolarHBondContact NH2-OD2 2.97Å
1013K86Confident86.1Confident20 Ų2072.3 Ų72.39%0.08739%0.388CS..Hα-helixtrans-64.6-44177.4-174172.4-171149.30113.2A1009 I1010 K1011 Q1015 Q1016 I1017 S1026 P1027 V1028A1009-K1013 WeakPolarHBondContact O-CB 3.21Å; A1009-K1013 PolarHBondContact O-N 2.89Å; I1010-K1013 PolarHBondContact O-N 2.83Å; K1011-K1013 VanDerWaalsContact C-N 3.33Å; K1013-Q1015 PolarHBondContact O-N 3.06Å; K1013-Q1016 PolarHBondContact O-N 3.29Å; K1013-Q1016 VanDerWaalsContact O-N 3.11Å; K1013-I1017 HydrophobicContact CG-CD1 3.97Å; K1013-I1017 HydrophobicContact CG-CG1 4.4Å; K1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; K1013-I1017 PolarHBondContact O-N 3.27Å; K1013-S1026 VanDerWaalsContact CE-OG 3.3Å; K1013-S1026 WeakPolarHBondContact CE-OG 3.42Å; K1013-S1026 PolarHBondContact NZ-O 2.98Å; K1013-S1026 PolarHBondContact NZ-OG 3.42Å; K1013-P1027 PolarHBondContact NZ-O 3.39Å; K1013-V1028 HydrophobicContact CD-CG2 3.69Å
1014I88.3Confident85.1Confident86 Ų8677.9 Ų77.944%0.44141%0.409SS..Hα-helixtrans-59.6-38.4176.5-69.3165.5000110.5I1010 K1011 N1018I1010-I1014 HydrophobicContact CG2-CD1 3.77Å; I1010-I1014 HydrophobicContact CG2-CG1 4.38Å; I1010-I1014 VanDerWaalsContact O-CG1 3.29Å; I1010-I1014 WeakPolarHBondContact O-CG1 3.47Å; I1010-I1014 PolarHBondContact O-N 2.82Å; K1011-I1014 PolarHBondContact O-N 3.49Å; I1014-N1018 WeakPolarHBondContact O-CB 3.4Å; I1014-N1018 VanDerWaalsContact O-CG 3.26Å; I1014-N1018 PolarHBondContact O-N 3.02Å; I1014-N1018 PolarHBondContact O-ND2 2.8Å
1015Q87Confident84.3Confident124 Ų12482.3 Ų82.358%0.57943%0.433SS*.Hα-helixtrans-63.8-46.3173.3-73.2175.5-21.800111.6K1011 R1012 K1013 I1017 N1018 D1019K1011-Q1015 WeakPolarHBondContact O-CG 3.31Å; K1011-Q1015 PolarHBondContact O-N 2.83Å; K1011-Q1015 VanDerWaalsContact O-N 3.1Å; R1012-Q1015 WeakPolarHBondContact O-CB 3.38Å; R1012-Q1015 PolarHBondContact O-N 3.02Å; K1013-Q1015 PolarHBondContact O-N 3.06Å; Q1015-I1017 VanDerWaalsContact C-N 3.33Å; Q1015-I1017 PolarHBondContact O-N 2.81Å; Q1015-N1018 PolarHBondContact O-N 2.9Å; Q1015-D1019 WeakPolarHBondContact O-CB 3.25Å; Q1015-D1019 PolarHBondContact O-N 3.12Å
1016Q85Confident83.6Confident59 Ų5984.1 Ų84.128%0.27645%0.446SS..Hα-helixtrans-62-36.8177.8-69.9171.1-37.800113.2R1012 K1013 D1019 G1020 L1021 D1022R1012-Q1016 WeakPolarHBondContact O-CG 3.42Å; R1012-Q1016 PolarHBondContact O-N 3.46Å; K1013-Q1016 PolarHBondContact O-N 3.29Å; K1013-Q1016 VanDerWaalsContact O-N 3.11Å; Q1016-D1019 PolarHBondContact O-N 3.29Å; Q1016-G1020 PolarHBondContact O-N 2.87Å; Q1016-L1021 PolarHBondContact O-N 2.96Å; Q1016-D1022 HydrophobicContact CB-CB 4.21Å
1017I86Confident83.1Confident49 Ų4985.7 Ų85.725%0.25146%0.459SS..Hα-helixtrans-67.2-46.1173.9-66.5167.3000110.4K1013 Q1015 D1019 G1020 D1022 E1024K1013-I1017 HydrophobicContact CG-CD1 3.97Å; K1013-I1017 HydrophobicContact CG-CG1 4.4Å; K1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; K1013-I1017 PolarHBondContact O-N 3.27Å; Q1015-I1017 VanDerWaalsContact C-N 3.33Å; Q1015-I1017 PolarHBondContact O-N 2.81Å; I1017-D1019 PolarHBondContact O-N 2.92Å; I1017-G1020 PolarHBondContact O-N 2.79Å; I1017-D1022 HydrophobicContact CG1-CB 4.31Å; I1017-E1024 HydrophobicContact CD1-CG 4.48Å; I1017-E1024 HydrophobicContact CG2-CG 4.41Å
1018N86.9Confident82.7Confident127 Ų12784.4 Ų84.468%0.67945%0.451SS*.Hα-helixtrans-61.7-33.9177.2-75.6-21.7000112.5I1014 Q1015 G1020I1014-N1018 WeakPolarHBondContact O-CB 3.4Å; I1014-N1018 VanDerWaalsContact O-CG 3.26Å; I1014-N1018 PolarHBondContact O-N 3.02Å; I1014-N1018 PolarHBondContact O-ND2 2.8Å; Q1015-N1018 PolarHBondContact O-N 2.9Å; N1018-G1020 PolarHBondContact O-N 3.17Å
1019D85.2Confident82.6Confident119 Ų11987 Ų8764%0.63646%0.462SS*.THydrogen-bonded Turntrans-80.8-1.7177.1-64.9-21.1000112.7Q1015 Q1016 I1017 L1021Q1015-D1019 WeakPolarHBondContact O-CB 3.25Å; Q1015-D1019 PolarHBondContact O-N 3.12Å; Q1016-D1019 PolarHBondContact O-N 3.29Å; I1017-D1019 PolarHBondContact O-N 2.92Å; D1019-L1021 VanDerWaalsContact C-N 3.34Å; D1019-L1021 HydrophobicContact CB-CD1 4.1Å; D1019-L1021 HydrophobicContact CB-CG 4.34Å
1020G78.4Confident82.5Confident68 Ų6887 Ų8770%0.70146%0.462SS*.THydrogen-bonded Turntrans75.217177.500000115Q1016 I1017 N1018Q1016-G1020 PolarHBondContact O-N 2.87Å; I1017-G1020 PolarHBondContact O-N 2.79Å; N1018-G1020 PolarHBondContact O-N 3.17Å
1021L74.3Confident82.4Confident133 Ų13384.3 Ų84.370%0.69645%0.449SS*.SBendtrans-92.2-14.7-175.1-67.3168.2000113.7Q1016 D1019Q1016-L1021 PolarHBondContact O-N 2.96Å; D1019-L1021 VanDerWaalsContact C-N 3.34Å; D1019-L1021 HydrophobicContact CB-CD1 4.1Å; D1019-L1021 HydrophobicContact CB-CG 4.34Å
1022D73.4Confident82.3Confident69 Ų6980.4 Ų80.437%0.36944%0.442SS..SBendtrans-142.8155.5-175.5-115.6-27.9000113.5Q1016 I1017Q1016-D1022 HydrophobicContact CB-CB 4.21Å; I1017-D1022 HydrophobicContact CG1-CB 4.31Å
1023L74.3Confident82.2Confident138 Ų13883.8 Ų83.872%0.72346%0.461SS*.  trans-95.1146.3177-66.6169.2000111.5D1025 S1026L1023-D1025 PolarHBondContact O-N 3.18Å; L1023-S1026 PolarHBondContact O-N 3.08Å; L1023-S1026 PolarHBondContact O-OG 3.29Å
1024E69.8Low82.4Confident164 Ų16483.3 Ų83.377%0.76646%0.459SS*.THydrogen-bonded Turntrans-58.2-32.4-179-65.4-174.316100113.4I1017 S1026I1017-E1024 HydrophobicContact CD1-CG 4.48Å; I1017-E1024 HydrophobicContact CG2-CG 4.41Å; E1024-S1026 VanDerWaalsContact C-N 3.35Å; E1024-S1026 PolarHBondContact O-N 3.49Å
1025D74.6Confident82.4Confident166 Ų16679.4 Ų79.489%0.88844%0.439SS*.THydrogen-bonded Turntrans-81.3-4.9-175.2-73.9-29.9000115.1L1023L1023-D1025 PolarHBondContact O-N 3.18Å
1026S76.8Confident82.5Confident38 Ų3875.6 Ų75.627%0.26643%0.426SS..SBendtrans-69151.5179.4560000111.4K1013 L1023 E1024K1013-S1026 VanDerWaalsContact CE-OG 3.3Å; K1013-S1026 WeakPolarHBondContact CE-OG 3.42Å; K1013-S1026 PolarHBondContact NZ-O 2.98Å; K1013-S1026 PolarHBondContact NZ-OG 3.42Å; L1023-S1026 PolarHBondContact O-N 3.08Å; L1023-S1026 PolarHBondContact O-OG 3.29Å; E1024-S1026 VanDerWaalsContact C-N 3.35Å; E1024-S1026 PolarHBondContact O-N 3.49Å
1027P79.6Confident82.6Confident79 Ų7975 Ų7551%0.51343%0.428SS..  trans-65.7152.2170.422.3-29.1000112.3K1013K1013-P1027 PolarHBondContact NZ-O 3.39Å
1028V83.2Confident82.8Confident35 Ų3572.8 Ų72.821%0.21242%0.417CS..  trans-88.1113.8172-178.70000108.1M1006 A1009 I1010 K1013M1006-V1028 HydrophobicContact CE-CB 3.84Å; M1006-V1028 HydrophobicContact CE-CG1 3.77Å; M1006-V1028 HydrophobicContact CE-CG2 4.33Å; M1006-V1028 HydrophobicContact SD-CG1 4.1Å; A1009-V1028 HydrophobicContact CB-CG1 3.92Å; I1010-V1028 HydrophobicContact CG1-CG1 4.32Å; K1013-V1028 HydrophobicContact CD-CG2 3.69Å
1029L87.4Confident82.9Confident76 Ų7668.7 Ų68.740%0.39840%0.395SS..PPolyproline II helixtrans-100.1127.6178.5-62.6173.2000110.9Q975 R1012Q975-L1029 HydrophobicContact CB-CD2 4.19Å; R1012-L1029 PolarHBondContact NH2-O 2.84Å
1030L89Confident83Confident0 Ų071.2 Ų71.20%040%0.401CS..BIsolated β-bridgetrans-76.3123.6174.6-77.7158.5000111F974 Q975 L976 D977 A1005 M1006 A1009 F1035F974-L1030 HydrophobicContact CB-CD1 3.53Å; F974-L1030 HydrophobicContact CD1-CD1 4.18Å; F974-L1030 HydrophobicContact CG-CD1 4.08Å; Q975-L1030 PolarHBondContact O-N 3.11Å; L976-L1030 HydrophobicContact CD2-CB 4.23Å; L976-L1030 HydrophobicContact CD2-CD1 4.5Å; D977-L1030 VanDerWaalsContact CB-O 3.31Å; D977-L1030 WeakPolarHBondContact CB-O 3.18Å; D977-L1030 PolarHBondContact N-O 3.44Å; D977-L1030 VanDerWaalsContact N-O 3.1Å; A1005-L1030 HydrophobicContact CB-CD2 3.94Å; M1006-L1030 HydrophobicContact CB-CD2 4.34Å; M1006-L1030 HydrophobicContact SD-CD2 4.44Å; M1006-L1030 HydrophobicContact SD-CG 4.37Å; A1009-L1030 HydrophobicContact CB-CD2 4.22Å; L1030-F1035 HydrophobicContact CB-CE2 3.98Å; L1030-F1035 HydrophobicContact CB-CZ 4.33Å; L1030-F1035 HydrophobicContact CD1-CZ 4.2Å; L1030-F1035 HydrophobicContact CD2-CE2 4.37Å; L1030-F1035 HydrophobicContact CD2-CZ 4.23Å
1031S88.7Confident83.3Confident13 Ų1374.5 Ų74.59%0.09140%0.402CS..PPolyproline II helixtrans-102.9161.9176.772.90000112.1R1012 E1033 D1034 F1035R1012-S1031 PolarHBondContact NH2-OG 3.08Å; S1031-E1033 PolarHBondContact O-N 2.9Å; S1031-D1034 WeakPolarHBondContact CB-OD2 3.41Å; S1031-D1034 PolarHBondContact N-OD2 2.91Å; S1031-D1034 PolarHBondContact O-N 3.31Å; S1031-D1034 PolarHBondContact OG-N 3.35Å; S1031-D1034 PolarHBondContact OG-OD2 2.74Å; S1031-F1035 VanDerWaalsContact O-CD2 3.29Å; S1031-F1035 WeakPolarHBondContact O-CD2 3.32Å
1032A86.3Confident83.8Confident53 Ų5369.7 Ų69.744%0.43838%0.376SS..Hα-helixtrans-61.5-28.3176.700000113.1V980 S1036V980-A1032 HydrophobicContact CG2-CB 4.47Å; A1032-S1036 PolarHBondContact O-N 2.96Å; A1032-S1036 VanDerWaalsContact O-N 3.13Å
1033E86.6Confident84.3Confident144 Ų14474.9 Ų74.967%0.67340%0.395SS*.Hα-helixtrans-68.5-39.6178.1-63.3-176.4178.200111.5S1031 F1035 S1036 S1037S1031-E1033 PolarHBondContact O-N 2.9Å; E1033-F1035 VanDerWaalsContact C-N 3.34Å; E1033-F1035 PolarHBondContact O-N 3.17Å; E1033-S1036 WeakPolarHBondContact O-CB 3.42Å; E1033-S1036 PolarHBondContact O-N 3.46Å; E1033-S1036 VanDerWaalsContact O-N 3.13Å; E1033-S1036 PolarHBondContact O-OG 3.25Å; E1033-S1037 PolarHBondContact O-N 2.96Å
1034D89.9Confident84.8Confident9 Ų970.8 Ų70.85%0.04838%0.377CS..Hα-helixtrans-61-44.5178.4-58.2-47.5000110.5A1005 A1008 A1009 R1012 S1031 S1036 S1037 A1038A1005-D1034 HydrophobicContact CB-CB 4.44Å; A1008-D1034 HydrophobicContact CB-CB 4.22Å; A1009-D1034 HydrophobicContact CB-CB 4.49Å; R1012-D1034 IonicContact CZ-OD1 2.75Å; R1012-D1034 IonicContact CZ-OD2 3.6Å; R1012-D1034 IonicContact NE-OD1 3.69Å; R1012-D1034 PolarHBondContact NE-OD1 3.08Å; R1012-D1034 VanDerWaalsContact NE-OD1 3.17Å; R1012-D1034 IonicContact NE-OD2 3.55Å; R1012-D1034 PolarHBondContact NE-OD2 3.41Å; R1012-D1034 IonicContact NH2-OD1 3.83Å; R1012-D1034 IonicContact NH2-OD2 3.12Å; R1012-D1034 PolarHBondContact NH2-OD2 2.97Å; S1031-D1034 WeakPolarHBondContact CB-OD2 3.41Å; S1031-D1034 PolarHBondContact N-OD2 2.91Å; S1031-D1034 PolarHBondContact O-N 3.31Å; S1031-D1034 PolarHBondContact OG-N 3.35Å; S1031-D1034 PolarHBondContact OG-OD2 2.74Å; D1034-S1036 PolarHBondContact O-N 2.87Å; D1034-S1037 PolarHBondContact O-N 2.88Å; D1034-S1037 PolarHBondContact O-OG 3.47Å; D1034-A1038 PolarHBondContact O-N 3.23Å
1035F88.2Confident85.3Confident5 Ų567 Ų672%0.02237%0.369CS..Hα-helixtrans-64.1-38.3174.4-71.8-74.2000113.1L971 L976 M985 A1005 L1030 S1031 E1033 S1037 A1038 L1039L971-F1035 HydrophobicContact CD2-CE1 4.48Å; L971-F1035 HydrophobicContact CD2-CZ 3.98Å; L976-F1035 HydrophobicContact CD2-CE2 4.16Å; L976-F1035 HydrophobicContact CD2-CZ 4.3Å; M985-F1035 HydrophobicContact CE-CB 3.92Å; M985-F1035 HydrophobicContact CE-CD1 3.26Å; M985-F1035 HydrophobicContact CE-CD2 3.4Å; M985-F1035 VanDerWaalsContact CE-CD2 3.4Å; M985-F1035 HydrophobicContact CE-CE1 3.46Å; M985-F1035 VanDerWaalsContact CE-CE1 3.46Å; M985-F1035 HydrophobicContact CE-CE2 3.59Å; M985-F1035 HydrophobicContact CE-CG 3.24Å; M985-F1035 HydrophobicContact CE-CZ 3.63Å; M985-F1035 HydrophobicContact SD-CD2 3.95Å; M985-F1035 HydrophobicContact SD-CE2 4.12Å; M985-F1035 HydrophobicContact SD-CG 4.29Å; A1005-F1035 HydrophobicContact CB-CD1 3.47Å; A1005-F1035 VanDerWaalsContact CB-CD1 3.47Å; A1005-F1035 HydrophobicContact CB-CE1 3.64Å; A1005-F1035 HydrophobicContact CB-CG 3.97Å; A1005-F1035 HydrophobicContact CB-CZ 4.26Å; L1030-F1035 HydrophobicContact CB-CE2 3.98Å; L1030-F1035 HydrophobicContact CB-CZ 4.33Å; L1030-F1035 HydrophobicContact CD1-CZ 4.2Å; L1030-F1035 HydrophobicContact CD2-CE2 4.37Å; L1030-F1035 HydrophobicContact CD2-CZ 4.23Å; S1031-F1035 VanDerWaalsContact O-CD2 3.29Å; S1031-F1035 WeakPolarHBondContact O-CD2 3.32Å; E1033-F1035 VanDerWaalsContact C-N 3.34Å; E1033-F1035 PolarHBondContact O-N 3.17Å; F1035-S1037 VanDerWaalsContact C-N 3.28Å; F1035-S1037 PolarHBondContact O-N 3.48Å; F1035-A1038 PolarHBondContact O-N 2.93Å; F1035-L1039 WeakPolarHBondContact O-CB 3.27Å; F1035-L1039 WeakPolarHBondContact O-CG 3.49Å; F1035-L1039 PolarHBondContact O-N 3.4Å
1036S88.2Confident85.8Confident44 Ų4459.3 Ų59.331%0.30833%0.328SS..Hα-helixtrans-65.3-33.9176.381.60000112.3A1032 E1033 D1034 K1040A1032-S1036 PolarHBondContact O-N 2.96Å; A1032-S1036 VanDerWaalsContact O-N 3.13Å; E1033-S1036 WeakPolarHBondContact O-CB 3.42Å; E1033-S1036 PolarHBondContact O-N 3.46Å; E1033-S1036 VanDerWaalsContact O-N 3.13Å; E1033-S1036 PolarHBondContact O-OG 3.25Å; D1034-S1036 PolarHBondContact O-N 2.87Å; S1036-K1040 WeakPolarHBondContact O-CG 3.26Å; S1036-K1040 PolarHBondContact O-N 3.24Å
1037S88.4Confident86.2Confident45 Ų4560.1 Ų60.132%0.31533%0.333SS..Hα-helixtrans-70.6-39.617681.50000111.6A1008 E1033 D1034 F1035 K1040A1008-S1037 WeakPolarHBondContact CB-OG 3.1Å; E1033-S1037 PolarHBondContact O-N 2.96Å; D1034-S1037 PolarHBondContact O-N 2.88Å; D1034-S1037 PolarHBondContact O-OG 3.47Å; F1035-S1037 VanDerWaalsContact C-N 3.28Å; F1035-S1037 PolarHBondContact O-N 3.48Å; S1037-K1040 PolarHBondContact O-N 2.93Å
1038A89.8Confident86.3Confident3 Ų362.5 Ų62.53%0.02534%0.337CS..Hα-helixtrans-65.6-45.3176.400000111.3L1001 D1004 A1005 D1034 F1035 K1040 N1041 F1042L1001-A1038 HydrophobicContact CD1-CB 3.69Å; D1004-A1038 HydrophobicContact CB-CB 3.86Å; A1005-A1038 HydrophobicContact CB-CB 4.16Å; D1034-A1038 PolarHBondContact O-N 3.23Å; F1035-A1038 PolarHBondContact O-N 2.93Å; A1038-K1040 VanDerWaalsContact C-N 3.28Å; A1038-K1040 PolarHBondContact O-N 3.16Å; A1038-N1041 PolarHBondContact O-N 3.07Å; A1038-N1041 VanDerWaalsContact O-N 3.1Å; A1038-F1042 WeakPolarHBondContact O-CB 2.93Å; A1038-F1042 PolarHBondContact O-N 3.27Å; A1038-F1042 VanDerWaalsContact O-N 3.1Å
1039L88.2Confident86.5Confident41 Ų4164.3 Ų64.322%0.21536%0.356CS..Hα-helixtrans-58.3-35.3178.5-84.4165.6000113.3R988 L1001 F1035 N1041 F1042R988-L1039 HydrophobicContact CB-CD1 4.27Å; L1001-L1039 HydrophobicContact CD1-CB 4.47Å; L1001-L1039 HydrophobicContact CD1-CD2 3.99Å; L1001-L1039 HydrophobicContact CD1-CG 3.86Å; L1001-L1039 HydrophobicContact CD2-CD2 3.94Å; L1001-L1039 HydrophobicContact CD2-CG 4.18Å; F1035-L1039 WeakPolarHBondContact O-CB 3.27Å; F1035-L1039 WeakPolarHBondContact O-CG 3.49Å; F1035-L1039 PolarHBondContact O-N 3.4Å; L1039-N1041 VanDerWaalsContact C-N 3.28Å; L1039-N1041 PolarHBondContact O-N 3.02Å; L1039-F1042 PolarHBondContact O-N 3.08Å
1040K87.3Confident86.3Confident173 Ų17364.9 Ų64.975%0.75236%0.356SS*.Hα-helixtrans-65.1-31.5178.5-74.4174.7-176.1175.80113.1S1036 S1037 A1038S1036-K1040 WeakPolarHBondContact O-CG 3.26Å; S1036-K1040 PolarHBondContact O-N 3.24Å; S1037-K1040 PolarHBondContact O-N 2.93Å; A1038-K1040 VanDerWaalsContact C-N 3.28Å; A1038-K1040 PolarHBondContact O-N 3.16Å
1041N84.8Confident86Confident136 Ų13666.6 Ų66.673%0.72737%0.365SS*.Hα-helixtrans-95.2-10.9-177.9-64.7-26.6000112.5A1038 L1039A1038-N1041 PolarHBondContact O-N 3.07Å; A1038-N1041 VanDerWaalsContact O-N 3.1Å; L1039-N1041 VanDerWaalsContact C-N 3.28Å; L1039-N1041 PolarHBondContact O-N 3.02Å
1042F85.3Confident85.9Confident32 Ų3271 Ų7114%0.1439%0.387CS..  trans-78.2138.1-171.6-170.6-96.8000112.5M993 D997 A1000 L1001 A1038 L1039M993-F1042 HydrophobicContact CE-CD1 4.04Å; M993-F1042 HydrophobicContact CE-CE1 3.55Å; M993-F1042 HydrophobicContact CE-CE2 4.49Å; M993-F1042 HydrophobicContact CE-CZ 3.84Å; M993-F1042 HydrophobicContact CG-CE1 4.23Å; M993-F1042 HydrophobicContact SD-CD1 4.49Å; M993-F1042 HydrophobicContact SD-CE1 4.18Å; D997-F1042 HydrophobicContact CB-CE1 4.1Å; D997-F1042 HydrophobicContact CB-CE2 4.46Å; D997-F1042 HydrophobicContact CB-CZ 3.5Å; D997-F1042 VanDerWaalsContact CB-CZ 3.5Å; A1000-F1042 HydrophobicContact CB-CE2 4.13Å; L1001-F1042 HydrophobicContact CB-CD2 4.49Å; L1001-F1042 HydrophobicContact CD1-CB 4.27Å; L1001-F1042 HydrophobicContact CD1-CD2 4.44Å; L1001-F1042 HydrophobicContact CD1-CG 4.34Å; A1038-F1042 WeakPolarHBondContact O-CB 2.93Å; A1038-F1042 PolarHBondContact O-N 3.27Å; A1038-F1042 VanDerWaalsContact O-N 3.1Å; L1039-F1042 PolarHBondContact O-N 3.08Å
1043K84.8Confident85.9Confident178 Ų17874.7 Ų74.777%0.77439%0.39SS*.  trans-122.1129.8170.8-69.9-176.6-178.1178.90109.3
1044P83.1Confident86Confident53 Ų5369.2 Ų69.234%0.34436%0.363SS..  trans-66.7140179.326.6-32.3000111.5H992H992-P1044 WeakPolarHBondContact NE2-CG 3.44Å
1045S82.4Confident85.7Confident85 Ų8574 Ų7459%0.59438%0.38SS*.SBendtrans-77.1-26.8-176.6-63.10000114D997D997-S1045 WeakPolarHBondContact OD1-CB 3.47Å; D997-S1045 PolarHBondContact OD1-N 3.29Å; D997-S1045 PolarHBondContact OD1-OG 3.41Å
1046V83.3Confident85.7Confident4 Ų476.5 Ų76.52%0.02440%0.398CS..SBendtrans-109.7126.5-176.3-174.70000109.9P829 I956 E1050 M1051P829-V1046 HydrophobicContact CB-CG2 4.31Å; I956-V1046 HydrophobicContact CD1-CB 3.93Å; I956-V1046 HydrophobicContact CD1-CG1 3.88Å; I956-V1046 HydrophobicContact CD1-CG2 4.06Å; V1046-E1050 HydrophobicContact CG1-CB 4.19Å; V1046-M1051 HydrophobicContact CG1-CG 3.89Å
1047S85.4Confident85.6Confident54 Ų5475.1 Ų75.138%0.37839%0.387SS..  trans-83.515517763.20000112.4A1049 E1050 M1051S1047-A1049 PolarHBondContact O-N 3Å; S1047-E1050 PolarHBondContact N-OE2 3.33Å; S1047-E1050 VanDerWaalsContact N-OE2 3.08Å; S1047-E1050 PolarHBondContact O-N 3.34Å; S1047-E1050 VanDerWaalsContact O-N 3.14Å; S1047-E1050 VanDerWaalsContact OG-CG 3.28Å; S1047-E1050 WeakPolarHBondContact OG-CG 3.34Å; S1047-E1050 PolarHBondContact OG-N 3.3Å; S1047-E1050 PolarHBondContact OG-OE2 3.03Å; S1047-M1051 PolarHBondContact O-N 3.33Å; S1047-M1051 VanDerWaalsContact O-N 3.12Å
1048E82.7Confident85.5Confident130 Ų13076.2 Ų76.261%0.60739%0.387SS*.Hα-helixtrans-59.3-34.5175.2-68-176.8169.100112.6M1051 L1052E1048-M1051 HydrophobicContact CB-CE 4.45Å; E1048-M1051 HydrophobicContact CG-CE 4.09Å; E1048-M1051 PolarHBondContact O-N 2.87Å; E1048-L1052 PolarHBondContact O-N 2.69Å; E1048-L1052 VanDerWaalsContact O-N 3.07Å
1049A85.8Confident85.3Confident72 Ų7281.5 Ų81.560%0.59541%0.412SS*.Hα-helixtrans-64.3-39.3176.300000112.4S1047 L1052 R1053S1047-A1049 PolarHBondContact O-N 3Å; A1049-L1052 PolarHBondContact O-N 3.42Å; A1049-R1053 PolarHBondContact O-N 3.2Å; A1049-R1053 VanDerWaalsContact O-N 3.08Å
1050E84.2Confident85.1Confident88 Ų8886.9 Ų86.941%0.41144%0.436SS..Hα-helixtrans-69.2-37.2175.6-75168.614400111.9V1046 S1047 L1052 R1053 Y1054V1046-E1050 HydrophobicContact CG1-CB 4.19Å; S1047-E1050 PolarHBondContact N-OE2 3.33Å; S1047-E1050 VanDerWaalsContact N-OE2 3.08Å; S1047-E1050 PolarHBondContact O-N 3.34Å; S1047-E1050 VanDerWaalsContact O-N 3.14Å; S1047-E1050 VanDerWaalsContact OG-CG 3.28Å; S1047-E1050 WeakPolarHBondContact OG-CG 3.34Å; S1047-E1050 PolarHBondContact OG-N 3.3Å; S1047-E1050 PolarHBondContact OG-OE2 3.03Å; E1050-L1052 PolarHBondContact O-N 3.27Å; E1050-R1053 WeakPolarHBondContact O-CB 3.16Å; E1050-R1053 PolarHBondContact O-N 3.18Å; E1050-Y1054 WeakPolarHBondContact O-CD2 3.13Å; E1050-Y1054 PolarHBondContact O-N 3.05Å
1051M82.4Confident84.7Confident37 Ų3781.3 Ų81.318%0.18241%0.414CS..Hα-helixtrans-61.2-44.7174.4-70.7-162.3-70.100111.8I956 H992 V1046 S1047 E1048 R1053 Y1054 R1055I956-M1051 HydrophobicContact CD1-CG 4.17Å; I956-M1051 HydrophobicContact CD1-SD 3.94Å; H992-M1051 HydrophobicContact CB-CE 3.6Å; H992-M1051 HydrophobicContact CB-SD 4.04Å; V1046-M1051 HydrophobicContact CG1-CG 3.89Å; S1047-M1051 PolarHBondContact O-N 3.33Å; S1047-M1051 VanDerWaalsContact O-N 3.12Å; E1048-M1051 HydrophobicContact CB-CE 4.45Å; E1048-M1051 HydrophobicContact CG-CE 4.09Å; E1048-M1051 PolarHBondContact O-N 2.87Å; M1051-R1053 VanDerWaalsContact C-N 3.29Å; M1051-R1053 PolarHBondContact O-N 3.1Å; M1051-Y1054 PolarHBondContact O-N 3.18Å; M1051-R1055 WeakPolarHBondContact O-CG 3.46Å; M1051-R1055 PolarHBondContact O-N 2.89Å
1052L86.2Confident84.1Confident106 Ų10677.6 Ų77.656%0.55540%0.399SS*.Hα-helixtrans-59.1-42.7174.6-71.6172.5000111.1E1048 A1049 E1050 Y1054 R1055 S1056E1048-L1052 PolarHBondContact O-N 2.69Å; E1048-L1052 VanDerWaalsContact O-N 3.07Å; A1049-L1052 PolarHBondContact O-N 3.42Å; E1050-L1052 PolarHBondContact O-N 3.27Å; L1052-Y1054 PolarHBondContact O-N 3.49Å; L1052-R1055 PolarHBondContact O-N 3.3Å; L1052-S1056 PolarHBondContact O-N 3.01Å; L1052-S1056 PolarHBondContact O-OG 3.01Å
1053R87.8Confident82.9Confident130 Ų13079.4 Ų79.449%0.49143%0.426SS..Hα-helixtrans-58.7-47.1174.6-178.3-177.9172.3-173.4-1.9112.2D936 A1049 E1050 M1051 R1055 S1056 I1057D936-R1053 IonicContact OD2-CZ 3.65Å; D936-R1053 IonicContact OD2-NH2 3.93Å; D936-R1053 PolarHBondContact OD2-NH2 3.19Å; A1049-R1053 PolarHBondContact O-N 3.2Å; A1049-R1053 VanDerWaalsContact O-N 3.08Å; E1050-R1053 WeakPolarHBondContact O-CB 3.16Å; E1050-R1053 PolarHBondContact O-N 3.18Å; M1051-R1053 VanDerWaalsContact C-N 3.29Å; M1051-R1053 PolarHBondContact O-N 3.1Å; R1053-R1055 VanDerWaalsContact C-N 3.33Å; R1053-R1055 PolarHBondContact O-N 2.7Å; R1053-S1056 PolarHBondContact O-N 2.95Å; R1053-I1057 HydrophobicContact CG-CD1 3.93Å; R1053-I1057 VanDerWaalsContact O-CG1 3.3Å; R1053-I1057 WeakPolarHBondContact O-CG1 3.43Å; R1053-I1057 PolarHBondContact O-N 3.18Å
1054Y86.9Confident80.8Confident28 Ų2881.8 Ų81.811%0.1144%0.44CS..Hα-helixtrans-65.7-34.6178.1-78.1-70000112.7P829 N933 E1050 M1051 L1052 I1057 H1058P829-Y1054 HydrophobicContact CB-CD2 4.03Å; P829-Y1054 HydrophobicContact CB-CE2 3.69Å; P829-Y1054 HydrophobicContact CG-CD2 4.41Å; N933-Y1054 WeakPolarHBondContact O-CE1 3.38Å; N933-Y1054 PolarHBondContact O-OH 2.98Å; N933-Y1054 VanDerWaalsContact O-OH 3.05Å; E1050-Y1054 WeakPolarHBondContact O-CD2 3.13Å; E1050-Y1054 PolarHBondContact O-N 3.05Å; M1051-Y1054 PolarHBondContact O-N 3.18Å; L1052-Y1054 PolarHBondContact O-N 3.49Å; Y1054-I1057 PolarHBondContact O-N 3.25Å; Y1054-H1058 WeakPolarHBondContact O-CB 3.45Å; Y1054-H1058 PolarHBondContact O-N 2.87Å
1055R85.3Confident80.6Confident110 Ų11083.2 Ų83.242%0.41544%0.444SS..Hα-helixtrans-65.3-42.7173.8-73.5-179.3-178172.4-1.1111.8E958 M1051 L1052 R1053 H1058 Q1059E958-R1055 VanDerWaalsContact CD-NH2 3.31Å; E958-R1055 IonicContact OE1-CZ 2.92Å; E958-R1055 IonicContact OE1-NE 3.95Å; E958-R1055 IonicContact OE1-NH2 3.11Å; E958-R1055 PolarHBondContact OE1-NH2 3.47Å; E958-R1055 IonicContact OE2-NH2 3.93Å; E958-R1055 PolarHBondContact OE2-NH2 3.24Å; M1051-R1055 WeakPolarHBondContact O-CG 3.46Å; M1051-R1055 PolarHBondContact O-N 2.89Å; L1052-R1055 PolarHBondContact O-N 3.3Å; R1053-R1055 VanDerWaalsContact C-N 3.33Å; R1053-R1055 PolarHBondContact O-N 2.7Å; R1055-H1058 PolarHBondContact O-N 2.82Å; R1055-Q1059 WeakPolarHBondContact O-CG 3.3Å; R1055-Q1059 PolarHBondContact O-N 2.85Å
1056S87.8Confident80.5Confident57 Ų5783.1 Ų83.140%0.39944%0.436SS..Hα-helixtrans-61.7-45.9174.5-58.60000111.8L1052 R1053 H1058 Q1059 E1060L1052-S1056 PolarHBondContact O-N 3.01Å; L1052-S1056 PolarHBondContact O-OG 3.01Å; R1053-S1056 PolarHBondContact O-N 2.95Å; S1056-H1058 VanDerWaalsContact C-N 3.3Å; S1056-H1058 PolarHBondContact O-N 2.88Å; S1056-Q1059 WeakPolarHBondContact O-CB 3.29Å; S1056-Q1059 PolarHBondContact O-N 2.91Å; S1056-E1060 WeakPolarHBondContact O-CG 3.5Å; S1056-E1060 PolarHBondContact O-N 2.81Å
1057I85.9Confident80.4Confident16 Ų1687.5 Ų87.58%0.08246%0.459CS..Hα-helixtrans-61.8-39.5176.6-68.7168.1000111.3P935 R1053 Y1054 E1060 L1061P935-I1057 HydrophobicContact CG-CG2 3.69Å; R1053-I1057 HydrophobicContact CG-CD1 3.93Å; R1053-I1057 VanDerWaalsContact O-CG1 3.3Å; R1053-I1057 WeakPolarHBondContact O-CG1 3.43Å; R1053-I1057 PolarHBondContact O-N 3.18Å; Y1054-I1057 PolarHBondContact O-N 3.25Å; I1057-E1060 PolarHBondContact O-N 3.36Å; I1057-L1061 HydrophobicContact CG2-CD1 3.77Å; I1057-L1061 HydrophobicContact CG2-CG 4.41Å; I1057-L1061 WeakPolarHBondContact O-CB 3.19Å; I1057-L1061 WeakPolarHBondContact O-CG 3.48Å; I1057-L1061 PolarHBondContact O-N 3.09Å
1058H85.6Confident80.1Confident67 Ų6789.5 Ų89.531%0.3146%0.464SS..Hα-helixtrans-62.7-43.4176.2-178.357.4000111.6Y827 Y953 Y1054 R1055 S1056 L1061 S1062Y827-H1058 AromaticContact CZ-ND1 3.85Å; Y827-H1058 PolarHBondContact OH-ND1 3.42Å; Y953-H1058 AromaticContact CG-ND1 3.86Å; Y1054-H1058 WeakPolarHBondContact O-CB 3.45Å; Y1054-H1058 PolarHBondContact O-N 2.87Å; R1055-H1058 PolarHBondContact O-N 2.82Å; S1056-H1058 VanDerWaalsContact C-N 3.3Å; S1056-H1058 PolarHBondContact O-N 2.88Å; H1058-L1061 PolarHBondContact O-N 2.99Å; H1058-S1062 WeakPolarHBondContact O-CB 3.42Å; H1058-S1062 PolarHBondContact O-N 3.03Å; H1058-S1062 PolarHBondContact O-OG 2.86Å; H1058-S1062 VanDerWaalsContact O-OG 3.06Å
1059Q85.4Confident79.9Confident115 Ų11586.9 Ų86.954%0.53746%0.455SS..Hα-helixtrans-59-49.9175-73.4173.6-18.100111.1R1055 S1056 L1061 S1062 G1063R1055-Q1059 WeakPolarHBondContact O-CG 3.3Å; R1055-Q1059 PolarHBondContact O-N 2.85Å; S1056-Q1059 WeakPolarHBondContact O-CB 3.29Å; S1056-Q1059 PolarHBondContact O-N 2.91Å; Q1059-L1061 VanDerWaalsContact C-N 3.35Å; Q1059-L1061 PolarHBondContact O-N 3.21Å; Q1059-S1062 WeakPolarHBondContact CA-OG 3.38Å; Q1059-S1062 PolarHBondContact O-N 2.92Å; Q1059-S1062 PolarHBondContact O-OG 3.49Å; Q1059-G1063 PolarHBondContact O-N 2.86Å; Q1059-G1063 VanDerWaalsContact O-N 3.16Å
1060E84Confident79.5Confident154 Ų15487.9 Ų87.972%0.7245%0.446SS*.Hα-helixtrans-57-43.2177.4-71.8176-175.400113S1056 I1057S1056-E1060 WeakPolarHBondContact O-CG 3.5Å; S1056-E1060 PolarHBondContact O-N 2.81Å; I1057-E1060 PolarHBondContact O-N 3.36Å
1061L78.9Confident79.2Confident55 Ų5587.9 Ų87.929%0.28845%0.448SS..Hα-helixtrans-77.4-27.8180-70.7170.7000113.4Y827 P935 L943 I1057 H1058 Q1059 G1063Y827-L1061 HydrophobicContact CD2-CD1 4.44Å; Y827-L1061 HydrophobicContact CE2-CD1 3.98Å; P935-L1061 HydrophobicContact CB-CD1 4.01Å; P935-L1061 HydrophobicContact CG-CD1 4.18Å; L943-L1061 HydrophobicContact CD1-CD2 4.06Å; I1057-L1061 HydrophobicContact CG2-CD1 3.77Å; I1057-L1061 HydrophobicContact CG2-CG 4.41Å; I1057-L1061 WeakPolarHBondContact O-CB 3.19Å; I1057-L1061 WeakPolarHBondContact O-CG 3.48Å; I1057-L1061 PolarHBondContact O-N 3.09Å; H1058-L1061 PolarHBondContact O-N 2.99Å; Q1059-L1061 VanDerWaalsContact C-N 3.35Å; Q1059-L1061 PolarHBondContact O-N 3.21Å; L1061-G1063 VanDerWaalsContact C-N 3.29Å
1062S72.4Confident79Confident59 Ų5991.8 Ų91.841%0.41347%0.469SS..Hα-helixtrans-78.7-12.9177.470.50000113.4H1058 Q1059 Q1064H1058-S1062 WeakPolarHBondContact O-CB 3.42Å; H1058-S1062 PolarHBondContact O-N 3.03Å; H1058-S1062 PolarHBondContact O-OG 2.86Å; H1058-S1062 VanDerWaalsContact O-OG 3.06Å; Q1059-S1062 WeakPolarHBondContact CA-OG 3.38Å; Q1059-S1062 PolarHBondContact O-N 2.92Å; Q1059-S1062 PolarHBondContact O-OG 3.49Å; S1062-Q1064 VanDerWaalsContact C-N 3.33Å
1063G61.6Low78.4Confident69 Ų6990.7 Ų90.771%0.71146%0.462SS*.THydrogen-bonded Turntrans68.827.1179.200000114.2Q1059 L1061Q1059-G1063 PolarHBondContact O-N 2.86Å; Q1059-G1063 VanDerWaalsContact O-N 3.16Å; L1061-G1063 VanDerWaalsContact C-N 3.29Å
1064Q38.8Very low77.5Confident228 Ų22887.1 Ų87.1100%1.06546%0.459SS*.  trans-97.40169.8-77-168.1-500112.2S1062S1062-Q1064 VanDerWaalsContact C-N 3.33Å

Retrieved 1,064 of 1,064 residues in 1861.8 ms (Link to these results)

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