A0A087YMU9_POEFO Loading...

Spermine synthase

AlphaFold DB , UniProt , Accession A0A087YMU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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
1M75.8Confident91.7Very high190 Ų19041.5 Ų41.594%0.93621%0.21SC*.  0110.50-177.7-178.1-11900105.8
2A90.4Very high91.7Very high5 Ų539.4 Ų39.44%0.04120%0.2CC..  trans-99.4160.9-178.600000110.8E76 V112 R113 A115A2-E76 HydrophobicContact CB-CB 4.1Å; A2-E76 VanDerWaalsContact CB-OE2 3.28Å; A2-E76 WeakPolarHBondContact CB-OE2 3.27Å; A2-E76 PolarHBondContact O-N 3.11Å; A2-E76 VanDerWaalsContact O-N 3.16Å; A2-V112 HydrophobicContact CB-CG1 3.99Å; A2-R113 WeakPolarHBondContact CA-O 3.29Å; A2-A115 HydrophobicContact CB-CB 4.27Å
3V93.3Very high91.5Very high31 Ų3142.5 Ų42.519%0.18823%0.227CC..EExtended strand (participates in β ladder)trans-126.3138.8175.3-64.60000109.5Q73 C74 V112 R113V3-Q73 HydrophobicContact CB-CG 4.02Å; V3-Q73 HydrophobicContact CG2-CG 4.31Å; V3-Q73 VanDerWaalsContact CG2-NE2 3.29Å; V3-C74 CarbonylContact C-O 3.49Å; V3-C74 VanDerWaalsContact CA-O 3.25Å; V3-C74 WeakPolarHBondContact CA-O 3.27Å; V3-C74 WeakPolarHBondContact CB-O 3.22Å; V3-V112 CarbonylContact O-C 3.19Å; V3-V112 WeakPolarHBondContact O-CA 3.31Å; V3-R113 HydrophobicContact CG2-CB 3.77Å; V3-R113 PolarHBondContact N-O 3.06Å; V3-R113 PolarHBondContact O-N 2.96Å
4R93.1Very high91Very high38 Ų3845.1 Ų45.114%0.14325%0.246CC..EExtended strand (participates in β ladder)trans-94.1133.3170.9-62.9-170.6-176.3115.66.9109.1Y6 Q73 C74 E76 L111 V112R4-Y6 HydrophobicContact CB-CD2 4.25Å; R4-Y6 HydrophobicContact CB-CE2 3.53Å; R4-Y6 WeakPolarHBondContact CD-OH 3.5Å; R4-Q73 WeakPolarHBondContact O-CA 3.49Å; R4-C74 PolarHBondContact N-O 3.38Å; R4-C74 PolarHBondContact O-N 2.89Å; R4-E76 PolarHBondContact NH1-O 3.21Å; R4-E76 PolarHBondContact NH2-O 3.23Å; R4-L111 CarbonylContact C-O 3.55Å; R4-L111 WeakPolarHBondContact CA-O 3.31Å; R4-V112 HydrophobicContact CG-CG2 4.35Å
5H95.1Very high90.4Very high40 Ų4047.5 Ų47.519%0.18526%0.264CS..EExtended strand (participates in β ladder)trans-118.6108-179.7-169.8164.7000108.8D71 L72 A110 L111 R113H5-D71 IonicContact CD2-OD1 2.72Å; H5-D71 IonicContact CE1-OD1 3.61Å; H5-D71 IonicContact NE2-OD1 3.65Å; H5-D71 PolarHBondContact NE2-OD1 2.82Å; H5-L72 CarbonylContact C-O 3.6Å; H5-L72 WeakPolarHBondContact CA-O 3.33Å; H5-A110 CarbonylContact O-C 3.48Å; H5-A110 VanDerWaalsContact O-CA 3.28Å; H5-A110 WeakPolarHBondContact O-CA 3.4Å; H5-L111 PolarHBondContact N-O 3.17Å; H5-L111 PolarHBondContact O-N 3.26Å; H5-R113 PolarHBondContact ND1-NH1 3.38Å
6Y94.4Very high89.5Confident17 Ų1745.8 Ų45.87%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-95.8142.2177.2-63.6-103000110R4 D71 L72 L83 L87 A110R4-Y6 HydrophobicContact CB-CD2 4.25Å; R4-Y6 HydrophobicContact CB-CE2 3.53Å; R4-Y6 WeakPolarHBondContact CD-OH 3.5Å; Y6-D71 WeakPolarHBondContact O-CA 3.44Å; Y6-L72 HydrophobicContact CD2-CD2 4Å; Y6-L72 PolarHBondContact N-O 3.39Å; Y6-L72 PolarHBondContact O-N 3.2Å; Y6-L83 HydrophobicContact CD2-CD2 3.7Å; Y6-L83 HydrophobicContact CD2-CG 4.46Å; Y6-L83 HydrophobicContact CE1-CD2 4.27Å; Y6-L83 HydrophobicContact CE2-CD2 3.11Å; Y6-L83 HydrophobicContact CE2-CG 4.1Å; Y6-L83 VanDerWaalsContact CZ-CD2 3.45Å; Y6-L87 HydrophobicContact CD1-CD1 3.37Å; Y6-L87 HydrophobicContact CE1-CD1 4.06Å; Y6-L87 HydrophobicContact CG-CD1 3.75Å; Y6-A110 HydrophobicContact CD1-CB 3.6Å; Y6-A110 HydrophobicContact CD2-CB 3.93Å; Y6-A110 HydrophobicContact CE1-CB 3.53Å; Y6-A110 HydrophobicContact CE2-CB 3.82Å; Y6-A110 HydrophobicContact CG-CB 3.8Å
7T94.9Very high88.7Confident31 Ų3148.9 Ų48.919%0.1927%0.271CS..EExtended strand (participates in β ladder)trans-126.1144.3175.759.90000111.4I70T7-I70 CarbonylContact C-O 3.58Å; T7-I70 WeakPolarHBondContact CA-O 3.17Å
8L92.9Very high87.6Confident2 Ų247.7 Ų47.71%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-140.4117.3172.617766.3000109.5I10 T69 I70 E91 L94 I105 R107L8-I10 HydrophobicContact CD2-CD1 4.44Å; L8-I10 HydrophobicContact CG-CG1 4.42Å; L8-T69 CarbonylContact O-C 3.51Å; L8-T69 WeakPolarHBondContact O-CA 3.34Å; L8-I70 HydrophobicContact CB-CB 4.29Å; L8-I70 HydrophobicContact CD2-CD1 4.38Å; L8-I70 PolarHBondContact N-O 3.42Å; L8-I70 PolarHBondContact O-N 3.29Å; L8-E91 HydrophobicContact CD2-CB 4.44Å; L8-L94 HydrophobicContact CD2-CD1 4.06Å; L8-I105 HydrophobicContact CD1-CG2 3.57Å; L8-R107 HydrophobicContact CD1-CB 4.02Å
9D93.9Very high86.5Confident50 Ų5049.4 Ų49.427%0.26729%0.287SS..EExtended strand (participates in β ladder)trans-110.2134.8179.3-52.9-30000110.4I105 K106D9-I105 CarbonylContact O-C 3.54Å; D9-I105 WeakPolarHBondContact O-CA 3.45Å; D9-K106 HydrophobicContact CB-CB 4.34Å; D9-K106 PolarHBondContact N-O 3.27Å; D9-K106 PolarHBondContact O-N 3.46Å
10I91.8Very high85.6Confident0 Ų050.8 Ų50.80%030%0.3CS..EExtended strand (participates in β ladder)trans-130.1113.9179.1-57.5173.1000108.9L8 L12 V68 L94 L98 I102 R104 I105L8-I10 HydrophobicContact CD2-CD1 4.44Å; L8-I10 HydrophobicContact CG-CG1 4.42Å; I10-L12 HydrophobicContact CG2-CD2 3.86Å; I10-V68 HydrophobicContact CB-CB 4.33Å; I10-V68 PolarHBondContact N-O 2.81Å; I10-V68 PolarHBondContact O-N 3.28Å; I10-L94 HydrophobicContact CD1-CB 3.85Å; I10-L94 HydrophobicContact CD1-CD1 3.56Å; I10-L94 HydrophobicContact CD1-CD2 3.82Å; I10-L94 HydrophobicContact CD1-CG 3.95Å; I10-L98 HydrophobicContact CD1-CD1 4.44Å; I10-L98 HydrophobicContact CG2-CD1 4.06Å; I10-I102 HydrophobicContact CG2-CB 4.44Å; I10-I102 HydrophobicContact CG2-CD1 3.99Å; I10-I102 HydrophobicContact CG2-CG1 3.81Å; I10-I102 HydrophobicContact CG2-CG2 3.95Å; I10-R104 WeakPolarHBondContact CA-O 3.46Å; I10-I105 HydrophobicContact CG1-CG1 4.3Å; I10-I105 HydrophobicContact CG1-CG2 4.3Å; I10-I105 HydrophobicContact CG2-CG1 4.45Å
11N93.1Very high84.8Confident53 Ų5349.3 Ų49.328%0.28329%0.292SS..EExtended strand (participates in β ladder)trans-92.3139.2174.6-63.6-92.7000109.5I102 T103 R104N11-I102 CarbonylContact O-C 3.42Å; N11-I102 WeakPolarHBondContact O-CA 3.13Å; N11-T103 WeakPolarHBondContact CB-OG1 3.28Å; N11-T103 PolarHBondContact O-N 3.48Å; N11-T103 PolarHBondContact O-OG1 3.19Å; N11-R104 HydrophobicContact CB-CB 4.17Å; N11-R104 PolarHBondContact N-O 3.07Å; N11-R104 PolarHBondContact O-N 3.49Å
12L91.4Very high84.7Confident16 Ų1640.6 Ų40.68%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-117.5151.1-176.7-52177.4000109.9I10 T14 V16 G66 V68 L98 N101 I102I10-L12 HydrophobicContact CG2-CD2 3.86Å; L12-T14 WeakPolarHBondContact CB-O 3.25Å; L12-V16 HydrophobicContact CD1-CB 4.31Å; L12-V16 HydrophobicContact CD1-CG1 3.68Å; L12-V16 HydrophobicContact CD1-CG2 3.73Å; L12-G66 WeakPolarHBondContact CB-O 3.42Å; L12-G66 PolarHBondContact N-O 2.94Å; L12-V68 HydrophobicContact CD1-CG2 4.13Å; L12-L98 HydrophobicContact CD1-CD2 4.22Å; L12-L98 HydrophobicContact CD2-CB 4.31Å; L12-L98 HydrophobicContact CD2-CD1 4.12Å; L12-L98 HydrophobicContact CD2-CD2 4.4Å; L12-N101 CarbonylContact C-O 3.39Å; L12-N101 WeakPolarHBondContact CA-O 3.36Å; L12-N101 HydrophobicContact CD2-CB 4.48Å; L12-I102 HydrophobicContact CD2-CB 4.48Å; L12-I102 HydrophobicContact CD2-CG1 3.84Å
13S88.8Confident84Confident79 Ų7943.9 Ų43.955%0.55227%0.27SS*.SBendtrans-78.2-27.2177.3590000112.8N101S13-N101 WeakPolarHBondContact CA-OD1 3.38Å; S13-N101 PolarHBondContact N-O 2.78Å; S13-N101 PolarHBondContact N-OD1 3.41Å; S13-N101 PolarHBondContact OG-O 3.4Å; S13-N101 PolarHBondContact OG-OD1 3.48Å
14T84.3Confident83.2Confident80 Ų8043.3 Ų43.349%0.49127%0.271SS..SBendtrans-135.2148.6171.858.50000110.6L12 V16 N101L12-T14 WeakPolarHBondContact CB-O 3.25Å; T14-V16 PolarHBondContact O-N 2.77Å; T14-N101 PolarHBondContact N-OD1 3.1Å; T14-N101 PolarHBondContact O-ND2 2.92Å; T14-N101 PolarHBondContact OG1-ND2 3.12Å; T14-N101 VanDerWaalsContact OG1-ND2 3.09Å; T14-N101 PolarHBondContact OG1-OD1 3.34Å
15P81.9Confident82.2Confident80 Ų8041.6 Ų41.652%0.51926%0.264SS..  trans-54.3138.7170.9-26.635.9000111.7S64P15-S64 WeakPolarHBondContact CB-O 3.42Å; P15-S64 WeakPolarHBondContact CG-O 3.39Å
16V76.9Confident81.3Confident20 Ų2040.3 Ų40.312%0.12126%0.258CS..  trans-91.3138.1173.1-770000110.3L12 T14 S18 V21 V62 L98L12-V16 HydrophobicContact CD1-CB 4.31Å; L12-V16 HydrophobicContact CD1-CG1 3.68Å; L12-V16 HydrophobicContact CD1-CG2 3.73Å; T14-V16 PolarHBondContact O-N 2.77Å; V16-S18 PolarHBondContact O-N 3.28Å; V16-V21 HydrophobicContact CB-CB 4.44Å; V16-V21 HydrophobicContact CB-CG2 3.89Å; V16-V21 HydrophobicContact CG1-CG2 4.16Å; V16-V62 HydrophobicContact CG2-CG1 3.85Å; V16-L98 HydrophobicContact CG1-CD2 3.94Å
17D75.1Confident80.5Confident100 Ų10041.3 Ų41.354%0.53527%0.268SS..  trans-63.3111.1167.7168.532.8000108.8A19 S20 V21D17-A19 PolarHBondContact O-N 3.02Å; D17-A19 PolarHBondContact OD1-N 3.28Å; D17-A19 VanDerWaalsContact OD1-N 3.14Å; D17-S20 WeakPolarHBondContact CB-OG 3.42Å; D17-S20 PolarHBondContact O-N 3.26Å; D17-S20 PolarHBondContact O-OG 2.87Å; D17-S20 VanDerWaalsContact O-OG 3.1Å; D17-S20 WeakPolarHBondContact OD2-CB 3.28Å; D17-S20 PolarHBondContact OD2-N 3.17Å; D17-S20 PolarHBondContact OD2-OG 2.85Å; D17-V21 PolarHBondContact O-N 2.77Å; D17-V21 VanDerWaalsContact O-N 3.15Å
18S69.6Low79.4Confident26 Ų2640 Ų4018%0.18226%0.26CS..Hα-helixtrans-65-29.3-175.2-600000111.2V16 S20 V22V16-S18 PolarHBondContact O-N 3.28Å; S18-S20 VanDerWaalsContact C-N 3.29Å; S18-S20 PolarHBondContact O-N 2.95Å; S18-V22 WeakPolarHBondContact O-CB 3.4Å; S18-V22 WeakPolarHBondContact O-CG2 3.5Å; S18-V22 PolarHBondContact O-N 2.91Å; S18-V22 VanDerWaalsContact O-N 3.15Å
19A67.4Low78.6Confident80 Ų8040 Ų4066%0.66126%0.26SS*.Hα-helixtrans-67.4-29-179.300000113D17D17-A19 PolarHBondContact O-N 3.02Å; D17-A19 PolarHBondContact OD1-N 3.28Å; D17-A19 VanDerWaalsContact OD1-N 3.14Å
20S67.9Low77.7Confident78 Ų7842 Ų4255%0.54527%0.267SS..Hα-helixtrans-96.3-33.3-179.449.70000113.7D17 S18D17-S20 WeakPolarHBondContact CB-OG 3.42Å; D17-S20 PolarHBondContact O-N 3.26Å; D17-S20 PolarHBondContact O-OG 2.87Å; D17-S20 VanDerWaalsContact O-OG 3.1Å; D17-S20 WeakPolarHBondContact OD2-CB 3.28Å; D17-S20 PolarHBondContact OD2-N 3.17Å; D17-S20 PolarHBondContact OD2-OG 2.85Å; S18-S20 VanDerWaalsContact C-N 3.29Å; S18-S20 PolarHBondContact O-N 2.95Å
21V69.6Low76.8Confident20 Ų2048.1 Ų48.112%0.12130%0.296CS..Hα-helixtrans-85.8-36.4-175.9174.90000112.9V16 D17 G24 L25 L98V16-V21 HydrophobicContact CB-CB 4.44Å; V16-V21 HydrophobicContact CB-CG2 3.89Å; V16-V21 HydrophobicContact CG1-CG2 4.16Å; D17-V21 PolarHBondContact O-N 2.77Å; D17-V21 VanDerWaalsContact O-N 3.15Å; V21-G24 PolarHBondContact O-N 3.04Å; V21-L25 HydrophobicContact CG1-CD1 3.92Å; V21-L25 HydrophobicContact CG1-CG 4.2Å; V21-L25 PolarHBondContact O-N 2.7Å; V21-L98 HydrophobicContact CG1-CD2 3.81Å
22V72.2Confident75.9Confident6 Ų649.6 Ų49.64%0.03630%0.301CS..Hα-helixtrans-56.8-50.6-176.2163.70000112.4S18 G24 L25 L26 Y46 V62S18-V22 WeakPolarHBondContact O-CB 3.4Å; S18-V22 WeakPolarHBondContact O-CG2 3.5Å; S18-V22 PolarHBondContact O-N 2.91Å; S18-V22 VanDerWaalsContact O-N 3.15Å; V22-G24 PolarHBondContact O-N 2.91Å; V22-G24 VanDerWaalsContact O-N 3.16Å; V22-L25 CarbonylContact O-C 3.51Å; V22-L25 WeakPolarHBondContact O-CA 3.42Å; V22-L25 WeakPolarHBondContact O-CB 3.43Å; V22-L25 PolarHBondContact O-N 2.97Å; V22-L26 HydrophobicContact CG1-CD1 3.91Å; V22-L26 HydrophobicContact CG1-CD2 4.02Å; V22-L26 HydrophobicContact CG1-CG 3.84Å; V22-L26 WeakPolarHBondContact O-CG 3.23Å; V22-L26 PolarHBondContact O-N 2.8Å; V22-Y46 HydrophobicContact CB-CD1 4.48Å; V22-Y46 HydrophobicContact CB-CE1 4.29Å; V22-Y46 HydrophobicContact CG1-CD1 4.02Å; V22-Y46 HydrophobicContact CG1-CD2 4.42Å; V22-Y46 HydrophobicContact CG1-CE1 3.38Å; V22-Y46 HydrophobicContact CG1-CE2 3.82Å; V22-Y46 HydrophobicContact CG1-CG 4.47Å; V22-Y46 VanDerWaalsContact CG1-OH 3.24Å; V22-Y46 WeakPolarHBondContact CG1-OH 3.22Å; V22-Y46 HydrophobicContact CG2-CD1 3.59Å; V22-Y46 HydrophobicContact CG2-CD2 4.18Å; V22-Y46 HydrophobicContact CG2-CE1 3.87Å; V22-Y46 HydrophobicContact CG2-CE2 4.4Å; V22-Y46 HydrophobicContact CG2-CG 3.74Å; V22-V62 HydrophobicContact CG2-CG2 4.24Å
23P76.6Confident75.3Confident74 Ų7455.9 Ų55.948%0.48133%0.33SS..Hα-helixtrans-57.4-35.5-178.4-25.535.2000113.7L25 L26 S27P23-L25 VanDerWaalsContact C-N 3.32Å; P23-L25 PolarHBondContact O-N 3.37Å; P23-L26 PolarHBondContact O-N 3.02Å; P23-S27 PolarHBondContact O-N 3.35Å
24G75.4Confident75Confident20 Ų2052.7 Ų52.721%0.20631%0.307CS..Hα-helixtrans-63.7-37.9174.500000112.5V21 V22 S27 L97V21-G24 PolarHBondContact O-N 3.04Å; V22-G24 PolarHBondContact O-N 2.91Å; V22-G24 VanDerWaalsContact O-N 3.16Å; G24-S27 PolarHBondContact O-OG 3.32Å; G24-L97 VanDerWaalsContact C-CD1 3.5Å
25L73.7Confident75.1Confident1 Ų153.8 Ų53.81%0.00531%0.314CS..Hα-helixtrans-73.4-39.8175.7-60.5179.5000112.7V21 V22 P23 S27 I28 F29 L60 V62 L94 L97V21-L25 HydrophobicContact CG1-CD1 3.92Å; V21-L25 HydrophobicContact CG1-CG 4.2Å; V21-L25 PolarHBondContact O-N 2.7Å; V22-L25 CarbonylContact O-C 3.51Å; V22-L25 WeakPolarHBondContact O-CA 3.42Å; V22-L25 WeakPolarHBondContact O-CB 3.43Å; V22-L25 PolarHBondContact O-N 2.97Å; P23-L25 VanDerWaalsContact C-N 3.32Å; P23-L25 PolarHBondContact O-N 3.37Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 3.04Å; L25-I28 HydrophobicContact CD2-CD1 4.32Å; L25-I28 WeakPolarHBondContact O-CB 3.2Å; L25-I28 WeakPolarHBondContact O-CG1 3.43Å; L25-I28 PolarHBondContact O-N 2.95Å; L25-F29 WeakPolarHBondContact O-CD2 3.5Å; L25-L60 HydrophobicContact CB-CD2 3.82Å; L25-L60 HydrophobicContact CD1-CD1 4.35Å; L25-L60 HydrophobicContact CD1-CD2 4.05Å; L25-V62 HydrophobicContact CD1-CG2 4.31Å; L25-L94 HydrophobicContact CD1-CD2 4.18Å; L25-L94 HydrophobicContact CD2-CD2 3.24Å; L25-L94 HydrophobicContact CD2-CG 3.87Å; L25-L94 HydrophobicContact CG-CD2 4.36Å; L25-L97 HydrophobicContact CD2-CD1 3.59Å; L25-L97 HydrophobicContact CG-CD1 4.31Å
26L76Confident75.5Confident13 Ų1353 Ų537%0.06830%0.303CS..Hα-helixtrans-58.3-39177.8-60.4-179.1000111.6V22 P23 I28 F29 H30 I38 A48 F50V22-L26 HydrophobicContact CG1-CD1 3.91Å; V22-L26 HydrophobicContact CG1-CD2 4.02Å; V22-L26 HydrophobicContact CG1-CG 3.84Å; V22-L26 WeakPolarHBondContact O-CG 3.23Å; V22-L26 PolarHBondContact O-N 2.8Å; P23-L26 PolarHBondContact O-N 3.02Å; L26-I28 PolarHBondContact O-N 3.49Å; L26-F29 PolarHBondContact O-N 3.5Å; L26-H30 PolarHBondContact O-N 2.86Å; L26-H30 VanDerWaalsContact O-N 3.11Å; L26-I38 HydrophobicContact CD1-CD1 3.55Å; L26-I38 HydrophobicContact CD2-CD1 4.38Å; L26-A48 HydrophobicContact CD2-CB 3.94Å; L26-F50 HydrophobicContact CD2-CE1 3.81Å; L26-F50 HydrophobicContact CD2-CZ 3.39Å
27S75.9Confident76.1Confident38 Ų3856.7 Ų56.727%0.26633%0.326SS..Hα-helixtrans-55.4-28.4-179.372.30000113.8P23 G24 L25 F29 E31 K93P23-S27 PolarHBondContact O-N 3.35Å; G24-S27 PolarHBondContact O-OG 3.32Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 3.04Å; S27-F29 VanDerWaalsContact C-N 3.31Å; S27-F29 PolarHBondContact O-N 2.68Å; S27-E31 WeakPolarHBondContact O-CG 2.87Å; S27-E31 PolarHBondContact O-N 3.07Å; S27-K93 VanDerWaalsContact OG-CE 3.22Å; S27-K93 WeakPolarHBondContact OG-CE 3.47Å; S27-K93 PolarHBondContact OG-NZ 3.49Å
28I73.3Confident76.8Confident5 Ų555.6 Ų55.63%0.02632%0.319CS..Hα-helixtrans-65.4-38.2178.2-52.5175.3000111.1L25 L26 L90 K93L25-I28 HydrophobicContact CD2-CD1 4.32Å; L25-I28 WeakPolarHBondContact O-CB 3.2Å; L25-I28 WeakPolarHBondContact O-CG1 3.43Å; L25-I28 PolarHBondContact O-N 2.95Å; L26-I28 PolarHBondContact O-N 3.49Å; I28-L90 HydrophobicContact CB-CD1 4.3Å; I28-L90 HydrophobicContact CD1-CD1 3.53Å; I28-L90 HydrophobicContact CG1-CD1 4.48Å; I28-L90 HydrophobicContact CG2-CB 4.43Å; I28-L90 HydrophobicContact CG2-CD1 3.84Å; I28-K93 HydrophobicContact CD1-CB 3.79Å; I28-K93 HydrophobicContact CD1-CD 3.98Å; I28-K93 HydrophobicContact CD1-CG 3.72Å; I28-K93 HydrophobicContact CG1-CB 4.31Å; I28-K93 HydrophobicContact CG1-CD 3.57Å; I28-K93 VanDerWaalsContact CG1-CE 3.42Å; I28-K93 HydrophobicContact CG1-CG 3.91Å
29F75.6Confident77.7Confident1 Ų159.5 Ų59.50%0.00433%0.334CS..Hα-helixtrans-87-26.7-176-60.5-68.7000111.8L25 L26 S27 E31 Q32 L34 F50 V58 L60 L90L25-F29 WeakPolarHBondContact O-CD2 3.5Å; L26-F29 PolarHBondContact O-N 3.5Å; S27-F29 VanDerWaalsContact C-N 3.31Å; S27-F29 PolarHBondContact O-N 2.68Å; F29-E31 VanDerWaalsContact C-N 3.34Å; F29-Q32 WeakPolarHBondContact O-CB 3.49Å; F29-Q32 PolarHBondContact O-N 3.19Å; F29-Q32 VanDerWaalsContact O-N 3.08Å; F29-L34 HydrophobicContact CB-CD1 4.14Å; F29-L34 HydrophobicContact CD1-CD1 3.99Å; F29-L34 PolarHBondContact O-N 3.19Å; F29-F50 HydrophobicContact CB-CD1 3.43Å; F29-F50 VanDerWaalsContact CB-CD1 3.43Å; F29-F50 HydrophobicContact CB-CD2 4.38Å; F29-F50 HydrophobicContact CB-CE1 3.46Å; F29-F50 VanDerWaalsContact CB-CE1 3.46Å; F29-F50 HydrophobicContact CB-CE2 4.39Å; F29-F50 HydrophobicContact CB-CG 3.9Å; F29-F50 HydrophobicContact CB-CZ 3.94Å; F29-F50 HydrophobicContact CD1-CD2 4.41Å; F29-F50 HydrophobicContact CD1-CG 4.5Å; F29-F50 HydrophobicContact CD2-CD1 4.31Å; F29-F50 HydrophobicContact CD2-CD2 4.04Å; F29-F50 AromaticContact CD2-CE1 3.78Å; F29-F50 HydrophobicContact CD2-CE1 3.78Å; F29-F50 AromaticContact CD2-CE2 3.46Å; F29-F50 HydrophobicContact CD2-CE2 3.46Å; F29-F50 VanDerWaalsContact CD2-CE2 3.46Å; F29-F50 HydrophobicContact CD2-CG 4.41Å; F29-F50 AromaticContact CD2-CZ 3.29Å; F29-F50 HydrophobicContact CD2-CZ 3.29Å; F29-F50 HydrophobicContact CE2-CD2 4.43Å; F29-F50 AromaticContact CE2-CE2 3.8Å; F29-F50 HydrophobicContact CE2-CE2 3.8Å; F29-F50 HydrophobicContact CE2-CZ 4Å; F29-F50 AromaticContact CG-CD1 3.97Å; F29-F50 HydrophobicContact CG-CD1 3.97Å; F29-F50 HydrophobicContact CG-CD2 4.01Å; F29-F50 AromaticContact CG-CE1 3.87Å; F29-F50 HydrophobicContact CG-CE1 3.87Å; F29-F50 AromaticContact CG-CE2 3.9Å; F29-F50 HydrophobicContact CG-CE2 3.9Å; F29-F50 HydrophobicContact CG-CG 4.01Å; F29-F50 AromaticContact CG-CZ 3.8Å; F29-F50 HydrophobicContact CG-CZ 3.8Å; F29-F50 HydrophobicContact CZ-CE2 4.5Å; F29-V58 HydrophobicContact CD1-CG1 4.32Å; F29-V58 HydrophobicContact CD1-CG2 4.42Å; F29-V58 HydrophobicContact CE1-CB 4.26Å; F29-V58 HydrophobicContact CE1-CG1 3.63Å; F29-V58 HydrophobicContact CE1-CG2 4.24Å; F29-V58 HydrophobicContact CZ-CG1 3.9Å; F29-L60 HydrophobicContact CE2-CD2 4.43Å; F29-L90 HydrophobicContact CE1-CD1 4.29Å; F29-L90 HydrophobicContact CE1-CD2 4.26Å; F29-L90 HydrophobicContact CE2-CD1 4.1Å; F29-L90 HydrophobicContact CZ-CD1 3.61Å; F29-L90 HydrophobicContact CZ-CD2 3.97Å; F29-L90 HydrophobicContact CZ-CG 4.46Å
30H75.3Confident78.6Confident91 Ų9160.5 Ų60.542%0.42133%0.328SS..Hα-helixtrans-64.5-38.6170-64.5173.4000112.1L26 Q32 E33 E36L26-H30 PolarHBondContact O-N 2.86Å; L26-H30 VanDerWaalsContact O-N 3.11Å; H30-Q32 PolarHBondContact O-N 3.45Å; H30-E33 PolarHBondContact O-N 3.23Å; H30-E36 IonicContact CD2-OE2 2.65Å; H30-E36 IonicContact CE1-OE1 2.96Å; H30-E36 IonicContact CE1-OE2 3.2Å; H30-E36 IonicContact NE2-OE1 2.88Å; H30-E36 PolarHBondContact NE2-OE1 2.9Å; H30-E36 IonicContact NE2-OE2 3.28Å; H30-E36 PolarHBondContact NE2-OE2 3.01Å
31E73.2Confident79.4Confident130 Ų13058 Ų5861%0.60731%0.31SS*.THydrogen-bonded Turntrans-59.5-13.4172.2-71.8167.7-15000112.8S27 F29 K93S27-E31 WeakPolarHBondContact O-CG 2.87Å; S27-E31 PolarHBondContact O-N 3.07Å; F29-E31 VanDerWaalsContact C-N 3.34Å; E31-K93 IonicContact OE1-NZ 3.69Å; E31-K93 PolarHBondContact OE1-NZ 3.26Å
32Q72.8Confident80.1Confident84 Ų8464 Ų6439%0.39334%0.341SS..THydrogen-bonded Turntrans-107.913.3178.8-59.3-63.3-60.200113.5F29 H30 L34 L86F29-Q32 WeakPolarHBondContact O-CB 3.49Å; F29-Q32 PolarHBondContact O-N 3.19Å; F29-Q32 VanDerWaalsContact O-N 3.08Å; H30-Q32 PolarHBondContact O-N 3.45Å; Q32-L34 HydrophobicContact CB-CD1 4.32Å; Q32-L34 HydrophobicContact CB-CG 4.03Å; Q32-L34 PolarHBondContact O-N 3.38Å; Q32-L86 HydrophobicContact CG-CD1 3.72Å
33E79.4Confident80.5Confident147 Ų14766.5 Ų66.569%0.68737%0.368SS*.THydrogen-bonded Turntrans55.629.7-178.7-55-172.4179.800114.6H30 K53H30-E33 PolarHBondContact O-N 3.23Å; E33-K53 IonicContact OE2-NZ 2.63Å
34L83.1Confident80.9Confident13 Ų1368.8 Ų68.87%0.06837%0.372CS..PPolyproline II helixtrans-83.9139.5177.2-53.9178000111F29 Q32 F50 V58F29-L34 HydrophobicContact CB-CD1 4.14Å; F29-L34 HydrophobicContact CD1-CD1 3.99Å; F29-L34 PolarHBondContact O-N 3.19Å; Q32-L34 HydrophobicContact CB-CD1 4.32Å; Q32-L34 HydrophobicContact CB-CG 4.03Å; Q32-L34 PolarHBondContact O-N 3.38Å; L34-F50 HydrophobicContact CB-CB 3.83Å; L34-F50 HydrophobicContact CD1-CB 3.8Å; L34-F50 HydrophobicContact CG-CB 4.44Å; L34-V58 HydrophobicContact CD1-CG2 4.14Å
35T86.5Confident81.5Confident103 Ų10368.2 Ų68.263%0.63237%0.366SS*.EExtended strand (participates in β ladder)trans-84.1126.8173.5-55.30000109.3F50 V51T35-F50 CarbonylContact O-C 3.53Å; T35-F50 WeakPolarHBondContact O-CA 3.45Å; T35-V51 PolarHBondContact N-O 2.92Å; T35-V51 PolarHBondContact O-N 3.49Å
36E89.8Confident82.2Confident62 Ų6269.2 Ų69.229%0.2937%0.37SS..EExtended strand (participates in β ladder)trans-99.6148.7-176.274.4-175.1178.800113.6H30 I38 T49 F50H30-E36 IonicContact CD2-OE2 2.65Å; H30-E36 IonicContact CE1-OE1 2.96Å; H30-E36 IonicContact CE1-OE2 3.2Å; H30-E36 IonicContact NE2-OE1 2.88Å; H30-E36 PolarHBondContact NE2-OE1 2.9Å; H30-E36 IonicContact NE2-OE2 3.28Å; H30-E36 PolarHBondContact NE2-OE2 3.01Å; E36-I38 HydrophobicContact CG-CD1 4.18Å; E36-I38 HydrophobicContact CG-CG1 4.29Å; E36-T49 CarbonylContact C-O 3.59Å; E36-T49 VanDerWaalsContact CA-O 3.3Å; E36-T49 WeakPolarHBondContact CA-O 3.42Å; E36-F50 HydrophobicContact CB-CD1 3.63Å; E36-F50 HydrophobicContact CB-CE1 3.72Å
37T90.1Very high82.9Confident98 Ų9871.1 Ų71.160%0.60138%0.38SS*.EExtended strand (participates in β ladder)trans-131.5131.9164-61.80000108.4A48 T49T37-A48 WeakPolarHBondContact O-CA 3.44Å; T37-T49 PolarHBondContact N-O 2.91Å; T37-T49 PolarHBondContact O-N 3.44Å
38I88.4Confident83.6Confident77 Ų7769.3 Ų69.340%0.39537%0.367SS..EExtended strand (participates in β ladder)trans-120.7130-165.9-69-178.9000108.7L26 E36 Y46L26-I38 HydrophobicContact CD1-CD1 3.55Å; L26-I38 HydrophobicContact CD2-CD1 4.38Å; E36-I38 HydrophobicContact CG-CD1 4.18Å; E36-I38 HydrophobicContact CG-CG1 4.29Å; I38-Y46 HydrophobicContact CB-CE2 4.37Å; I38-Y46 WeakPolarHBondContact CB-OH 3.44Å; I38-Y46 WeakPolarHBondContact CD1-OH 3.39Å; I38-Y46 WeakPolarHBondContact CG1-OH 3.25Å; I38-Y46 HydrophobicContact CG2-CD2 4.38Å; I38-Y46 HydrophobicContact CG2-CE2 3.2Å; I38-Y46 WeakPolarHBondContact CG2-OH 3.28Å
39H89.6Confident84.6Confident108 Ų10871 Ų7150%0.538%0.378SS..EExtended strand (participates in β ladder)trans-134115.4179.3-170.2-71.3000111.4T41 L47H39-T41 WeakPolarHBondContact ND1-CG2 3.24Å; H39-L47 HydrophobicContact CB-CB 4.41Å; H39-L47 PolarHBondContact N-O 2.91Å; H39-L47 PolarHBondContact O-N 3.25Å
40D85.5Confident85.3Confident101 Ų10171 Ų7154%0.5438%0.378SS..EExtended strand (participates in β ladder)trans-74.4126165.4-174.3-17.1000109N42D40-N42 VanDerWaalsContact C-N 3.32Å; D40-N42 PolarHBondContact O-N 2.89Å; D40-N42 PolarHBondContact OD1-N 3.36Å
41T85.3Confident86Confident26 Ų2670.1 Ų70.116%0.1638%0.378CS..  trans-9634.5-177.554.10000113.4H39 G43 H44 G45 R61H39-T41 WeakPolarHBondContact ND1-CG2 3.24Å; T41-G43 PolarHBondContact O-N 2.81Å; T41-H44 WeakPolarHBondContact O-CB 3.31Å; T41-H44 PolarHBondContact O-CD2 3.11Å; T41-H44 VanDerWaalsContact O-CD2 3.29Å; T41-H44 PolarHBondContact O-N 3.1Å; T41-H44 VanDerWaalsContact O-N 3.12Å; T41-H44 VanDerWaalsContact OG1-C 3.24Å; T41-H44 PolarHBondContact OG1-O 3.27Å; T41-G45 PolarHBondContact N-O 2.85Å; T41-G45 PolarHBondContact OG1-N 2.8Å; T41-G45 PolarHBondContact OG1-O 3.01Å; T41-R61 PolarHBondContact OG1-NH1 3.18Å; T41-R61 PolarHBondContact OG1-NH2 2.83Å
42N83.4Confident86.6Confident146 Ų14664.2 Ų64.278%0.78135%0.353SS*.THydrogen-bonded Turntrans51.854.3170.1-66.1-29000113D40D40-N42 VanDerWaalsContact C-N 3.32Å; D40-N42 PolarHBondContact O-N 2.89Å; D40-N42 PolarHBondContact OD1-N 3.36Å
43G81.1Confident86.9Confident58 Ų5869.4 Ų69.460%0.59837%0.374SS*.THydrogen-bonded Turntrans92.1-7.8179.600000115.1T41 G45 S64T41-G43 PolarHBondContact O-N 2.81Å; G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 3.23Å; G43-S64 WeakPolarHBondContact O-CB 3.46Å; G43-S64 PolarHBondContact O-OG 3.03Å; G43-S64 VanDerWaalsContact O-OG 3.09Å
44H85.6Confident87Confident123 Ų12365.7 Ų65.757%0.56936%0.359SS*.SBendtrans-90.113171.8-59.8-66.4000113.6T41 R61T41-H44 WeakPolarHBondContact O-CB 3.31Å; T41-H44 PolarHBondContact O-CD2 3.11Å; T41-H44 VanDerWaalsContact O-CD2 3.29Å; T41-H44 PolarHBondContact O-N 3.1Å; T41-H44 VanDerWaalsContact O-N 3.12Å; T41-H44 VanDerWaalsContact OG1-C 3.24Å; T41-H44 PolarHBondContact OG1-O 3.27Å; H44-R61 PolarHBondContact O-NH2 3.02Å
45G86.9Confident87Confident7 Ų767.4 Ų67.47%0.07238%0.38CS..EExtended strand (participates in β ladder)trans89.5-144.3-176.100000111.9T41 G43 V62T41-G45 PolarHBondContact N-O 2.85Å; T41-G45 PolarHBondContact OG1-N 2.8Å; T41-G45 PolarHBondContact OG1-O 3.01Å; G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 3.23Å; G45-V62 CarbonylContact C-O 3.55Å; G45-V62 VanDerWaalsContact CA-O 3.28Å; G45-V62 WeakPolarHBondContact CA-O 3.39Å
46Y89.2Confident87.1Confident23 Ų2364 Ų649%0.0936%0.355CS..EExtended strand (participates in β ladder)trans-138.1143.6-162.4-179.4-86.6000112.2V22 I38 A48 R61 V62V22-Y46 HydrophobicContact CB-CD1 4.48Å; V22-Y46 HydrophobicContact CB-CE1 4.29Å; V22-Y46 HydrophobicContact CG1-CD1 4.02Å; V22-Y46 HydrophobicContact CG1-CD2 4.42Å; V22-Y46 HydrophobicContact CG1-CE1 3.38Å; V22-Y46 HydrophobicContact CG1-CE2 3.82Å; V22-Y46 HydrophobicContact CG1-CG 4.47Å; V22-Y46 VanDerWaalsContact CG1-OH 3.24Å; V22-Y46 WeakPolarHBondContact CG1-OH 3.22Å; V22-Y46 HydrophobicContact CG2-CD1 3.59Å; V22-Y46 HydrophobicContact CG2-CD2 4.18Å; V22-Y46 HydrophobicContact CG2-CE1 3.87Å; V22-Y46 HydrophobicContact CG2-CE2 4.4Å; V22-Y46 HydrophobicContact CG2-CG 3.74Å; I38-Y46 HydrophobicContact CB-CE2 4.37Å; I38-Y46 WeakPolarHBondContact CB-OH 3.44Å; I38-Y46 WeakPolarHBondContact CD1-OH 3.39Å; I38-Y46 WeakPolarHBondContact CG1-OH 3.25Å; I38-Y46 HydrophobicContact CG2-CD2 4.38Å; I38-Y46 HydrophobicContact CG2-CE2 3.2Å; I38-Y46 WeakPolarHBondContact CG2-OH 3.28Å; Y46-A48 HydrophobicContact CD1-CB 4.42Å; Y46-A48 HydrophobicContact CE1-CB 3.51Å; Y46-R61 WeakPolarHBondContact O-CD 3.3Å; Y46-R61 PolarHBondContact O-NH1 3.42Å; Y46-R61 VanDerWaalsContact O-NH1 3.16Å; Y46-V62 PolarHBondContact N-O 2.92Å; Y46-V62 PolarHBondContact O-N 2.78Å
47L91.6Very high87.2Confident53 Ų5363.6 Ų63.628%0.27736%0.355SS..EExtended strand (participates in β ladder)trans-125122.9174.7176.868.3000109H39 V59 L60H39-L47 HydrophobicContact CB-CB 4.41Å; H39-L47 PolarHBondContact N-O 2.91Å; H39-L47 PolarHBondContact O-N 3.25Å; L47-V59 HydrophobicContact CD1-CG1 3.41Å; L47-V59 VanDerWaalsContact CD1-CG1 3.41Å; L47-L60 WeakPolarHBondContact CA-O 3.49Å
48A90.3Very high87.3Confident0 Ų058.9 Ų58.90%033%0.326CS..EExtended strand (participates in β ladder)trans-114.6134.316600000110.1L26 T37 Y46 F50 V59 L60L26-A48 HydrophobicContact CD2-CB 3.94Å; T37-A48 WeakPolarHBondContact O-CA 3.44Å; Y46-A48 HydrophobicContact CD1-CB 4.42Å; Y46-A48 HydrophobicContact CE1-CB 3.51Å; A48-F50 HydrophobicContact CB-CD2 4.48Å; A48-F50 HydrophobicContact CB-CE2 3.65Å; A48-F50 HydrophobicContact CB-CZ 3.77Å; A48-V59 WeakPolarHBondContact O-CA 3.41Å; A48-L60 HydrophobicContact CB-CB 4.29Å; A48-L60 PolarHBondContact N-O 2.97Å; A48-L60 PolarHBondContact O-N 2.94Å
49T93Very high87.5Confident41 Ų4157.1 Ų57.125%0.25232%0.319SS..EExtended strand (participates in β ladder)trans-112.8132.8171.8-54.10000108.4E36 T37 V51 L57 V58E36-T49 CarbonylContact C-O 3.59Å; E36-T49 VanDerWaalsContact CA-O 3.3Å; E36-T49 WeakPolarHBondContact CA-O 3.42Å; T37-T49 PolarHBondContact N-O 2.91Å; T37-T49 PolarHBondContact O-N 3.44Å; T49-V51 HydrophobicContact CG2-CG2 4.29Å; T49-L57 HydrophobicContact CG2-CD1 3.44Å; T49-L57 VanDerWaalsContact CG2-CD1 3.44Å; T49-V58 CarbonylContact C-O 3.57Å; T49-V58 WeakPolarHBondContact CA-O 3.49Å
50F90.4Very high87.6Confident0 Ų052 Ų520%030%0.295CS..EExtended strand (participates in β ladder)trans-122.3127.7177.4-52.6-93000109.5L26 F29 L34 T35 E36 A48 L57 V58 L60L26-F50 HydrophobicContact CD2-CE1 3.81Å; L26-F50 HydrophobicContact CD2-CZ 3.39Å; F29-F50 HydrophobicContact CB-CD1 3.43Å; F29-F50 VanDerWaalsContact CB-CD1 3.43Å; F29-F50 HydrophobicContact CB-CD2 4.38Å; F29-F50 HydrophobicContact CB-CE1 3.46Å; F29-F50 VanDerWaalsContact CB-CE1 3.46Å; F29-F50 HydrophobicContact CB-CE2 4.39Å; F29-F50 HydrophobicContact CB-CG 3.9Å; F29-F50 HydrophobicContact CB-CZ 3.94Å; F29-F50 HydrophobicContact CD1-CD2 4.41Å; F29-F50 HydrophobicContact CD1-CG 4.5Å; F29-F50 HydrophobicContact CD2-CD1 4.31Å; F29-F50 HydrophobicContact CD2-CD2 4.04Å; F29-F50 AromaticContact CD2-CE1 3.78Å; F29-F50 HydrophobicContact CD2-CE1 3.78Å; F29-F50 AromaticContact CD2-CE2 3.46Å; F29-F50 HydrophobicContact CD2-CE2 3.46Å; F29-F50 VanDerWaalsContact CD2-CE2 3.46Å; F29-F50 HydrophobicContact CD2-CG 4.41Å; F29-F50 AromaticContact CD2-CZ 3.29Å; F29-F50 HydrophobicContact CD2-CZ 3.29Å; F29-F50 HydrophobicContact CE2-CD2 4.43Å; F29-F50 AromaticContact CE2-CE2 3.8Å; F29-F50 HydrophobicContact CE2-CE2 3.8Å; F29-F50 HydrophobicContact CE2-CZ 4Å; F29-F50 AromaticContact CG-CD1 3.97Å; F29-F50 HydrophobicContact CG-CD1 3.97Å; F29-F50 HydrophobicContact CG-CD2 4.01Å; F29-F50 AromaticContact CG-CE1 3.87Å; F29-F50 HydrophobicContact CG-CE1 3.87Å; F29-F50 AromaticContact CG-CE2 3.9Å; F29-F50 HydrophobicContact CG-CE2 3.9Å; F29-F50 HydrophobicContact CG-CG 4.01Å; F29-F50 AromaticContact CG-CZ 3.8Å; F29-F50 HydrophobicContact CG-CZ 3.8Å; F29-F50 HydrophobicContact CZ-CE2 4.5Å; L34-F50 HydrophobicContact CB-CB 3.83Å; L34-F50 HydrophobicContact CD1-CB 3.8Å; L34-F50 HydrophobicContact CG-CB 4.44Å; T35-F50 CarbonylContact O-C 3.53Å; T35-F50 WeakPolarHBondContact O-CA 3.45Å; E36-F50 HydrophobicContact CB-CD1 3.63Å; E36-F50 HydrophobicContact CB-CE1 3.72Å; A48-F50 HydrophobicContact CB-CD2 4.48Å; A48-F50 HydrophobicContact CB-CE2 3.65Å; A48-F50 HydrophobicContact CB-CZ 3.77Å; F50-L57 WeakPolarHBondContact O-CA 3.39Å; F50-V58 HydrophobicContact CB-CB 4.14Å; F50-V58 HydrophobicContact CD2-CB 4.09Å; F50-V58 HydrophobicContact CD2-CG1 4.29Å; F50-V58 PolarHBondContact N-O 3.46Å; F50-V58 PolarHBondContact O-N 2.65Å; F50-L60 HydrophobicContact CE2-CB 3.98Å
51V90.8Very high87.9Confident72 Ų7249.3 Ų49.344%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-119.3123.3-178.6-174.40000109.5T35 T49 R56 L57T35-V51 PolarHBondContact N-O 2.92Å; T35-V51 PolarHBondContact O-N 3.49Å; T49-V51 HydrophobicContact CG2-CG2 4.29Å; V51-R56 WeakPolarHBondContact CA-O 3.25Å; V51-L57 HydrophobicContact CG2-CD1 4.09Å
52G86Confident88.1Confident7 Ų748 Ų487%0.07227%0.27CS..  trans-92.2155175.500000112.2N54 G55 R56G52-N54 PolarHBondContact O-N 3.47Å; G52-N54 VanDerWaalsContact O-N 3.13Å; G52-G55 PolarHBondContact O-N 2.85Å; G52-R56 PolarHBondContact N-O 3.28Å
53K79.3Confident88.5Confident193 Ų19343.8 Ų43.884%0.83925%0.245SC*.THydrogen-bonded Turntrans-61.5-21.1178.7-65.5177.2-175.4160.70113.7E33 G55E33-K53 IonicContact OE2-NZ 2.63Å; K53-G55 VanDerWaalsContact C-N 3.3Å
54N81.2Confident88.8Confident69 Ų6942.6 Ų42.637%0.36923%0.227SC..THydrogen-bonded Turntrans-88.613176.366.8-24.7000113.5G52 R56 H75 D78G52-N54 PolarHBondContact O-N 3.47Å; G52-N54 VanDerWaalsContact O-N 3.13Å; N54-R56 PolarHBondContact O-N 3.2Å; N54-R56 WeakPolarHBondContact OD1-CB 3.11Å; N54-R56 PolarHBondContact OD1-N 2.82Å; N54-H75 PolarHBondContact O-CD2 2.94Å; N54-D78 PolarHBondContact ND2-OD2 3.34Å
55G83.8Confident88.8Confident49 Ų4944.2 Ų44.251%0.50524%0.235SC..SBendtrans78.64.1-177.300000114.3G52 K53 L57G52-G55 PolarHBondContact O-N 2.85Å; K53-G55 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 2.88Å
56R87.8Confident88.8Confident31 Ų3144 Ų4412%0.11723%0.233CC..  trans-62.9134.2173.1-175.6177.8-63.7165.23.2110.2V51 G52 N54 Q73 D78V51-R56 WeakPolarHBondContact CA-O 3.25Å; G52-R56 PolarHBondContact N-O 3.28Å; N54-R56 PolarHBondContact O-N 3.2Å; N54-R56 WeakPolarHBondContact OD1-CB 3.11Å; N54-R56 PolarHBondContact OD1-N 2.82Å; R56-Q73 WeakPolarHBondContact CA-O 3.4Å; R56-D78 IonicContact CZ-OD2 2.81Å; R56-D78 IonicContact NE-OD2 3.61Å; R56-D78 IonicContact NH2-OD2 3.16Å; R56-D78 PolarHBondContact NH2-OD2 2.96Å
57L91.8Very high88.9Confident53 Ų5345.3 Ų45.328%0.27724%0.242SC..EExtended strand (participates in β ladder)trans-120.4129.9176.8176.866.8000108.9T49 F50 V51 G55 V59 L72 Q73T49-L57 HydrophobicContact CG2-CD1 3.44Å; T49-L57 VanDerWaalsContact CG2-CD1 3.44Å; F50-L57 WeakPolarHBondContact O-CA 3.39Å; V51-L57 HydrophobicContact CG2-CD1 4.09Å; G55-L57 PolarHBondContact O-N 2.88Å; L57-V59 HydrophobicContact CD1-CG2 4.46Å; L57-V59 HydrophobicContact CD2-CG2 4.44Å; L57-V59 HydrophobicContact CG-CG2 4.26Å; L57-L72 WeakPolarHBondContact O-CA 3.47Å; L57-Q73 HydrophobicContact CB-CB 4.31Å; L57-Q73 PolarHBondContact N-O 3.22Å; L57-Q73 PolarHBondContact O-N 3.41Å
58V91.5Very high88.9Confident0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-120.3133.6166.5-173.60000108.8F29 L34 T49 F50 I70 D71 L72F29-V58 HydrophobicContact CD1-CG1 4.32Å; F29-V58 HydrophobicContact CD1-CG2 4.42Å; F29-V58 HydrophobicContact CE1-CB 4.26Å; F29-V58 HydrophobicContact CE1-CG1 3.63Å; F29-V58 HydrophobicContact CE1-CG2 4.24Å; F29-V58 HydrophobicContact CZ-CG1 3.9Å; L34-V58 HydrophobicContact CD1-CG2 4.14Å; T49-V58 CarbonylContact C-O 3.57Å; T49-V58 WeakPolarHBondContact CA-O 3.49Å; F50-V58 HydrophobicContact CB-CB 4.14Å; F50-V58 HydrophobicContact CD2-CB 4.09Å; F50-V58 HydrophobicContact CD2-CG1 4.29Å; F50-V58 PolarHBondContact N-O 3.46Å; F50-V58 PolarHBondContact O-N 2.65Å; V58-I70 HydrophobicContact CG1-CG2 3.8Å; V58-D71 CarbonylContact C-O 3.52Å; V58-D71 VanDerWaalsContact CA-O 3.26Å; V58-D71 WeakPolarHBondContact CA-O 3.28Å; V58-L72 HydrophobicContact CG2-CB 4.31Å; V58-L72 HydrophobicContact CG2-CD1 3.87Å; V58-L72 HydrophobicContact CG2-CG 3.9Å
59V93.5Very high89Confident39 Ų3943.8 Ų43.824%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-116.3119.1171.3-176.30000107.9L47 A48 L57 I70 D71L47-V59 HydrophobicContact CD1-CG1 3.41Å; L47-V59 VanDerWaalsContact CD1-CG1 3.41Å; A48-V59 WeakPolarHBondContact O-CA 3.41Å; L57-V59 HydrophobicContact CD1-CG2 4.46Å; L57-V59 HydrophobicContact CD2-CG2 4.44Å; L57-V59 HydrophobicContact CG-CG2 4.26Å; V59-I70 WeakPolarHBondContact O-CA 3.42Å; V59-D71 HydrophobicContact CB-CB 4.22Å; V59-D71 PolarHBondContact N-O 3.41Å; V59-D71 PolarHBondContact O-N 3.14Å
60L91.3Very high89Confident1 Ų142 Ų421%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-105.1120.8171.9170.865.4000108.4L25 F29 L47 A48 F50 V62 V68 I70L25-L60 HydrophobicContact CB-CD2 3.82Å; L25-L60 HydrophobicContact CD1-CD1 4.35Å; L25-L60 HydrophobicContact CD1-CD2 4.05Å; F29-L60 HydrophobicContact CE2-CD2 4.43Å; L47-L60 WeakPolarHBondContact CA-O 3.49Å; A48-L60 HydrophobicContact CB-CB 4.29Å; A48-L60 PolarHBondContact N-O 2.97Å; A48-L60 PolarHBondContact O-N 2.94Å; F50-L60 HydrophobicContact CE2-CB 3.98Å; L60-V62 HydrophobicContact CD1-CG2 4.39Å; L60-V62 HydrophobicContact CG-CG2 4.38Å; L60-V68 HydrophobicContact CD1-CG1 3.66Å; L60-I70 HydrophobicContact CD1-CD1 3.95Å; L60-I70 HydrophobicContact CD1-CG1 3.7Å
61R92.2Very high89.2Confident44 Ų4444.3 Ų44.317%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-114.6122.8173.6-172.570.5-177.7147.8-2.2109.6T41 H44 Y46 H63 V68 T69T41-R61 PolarHBondContact OG1-NH1 3.18Å; T41-R61 PolarHBondContact OG1-NH2 2.83Å; H44-R61 PolarHBondContact O-NH2 3.02Å; Y46-R61 WeakPolarHBondContact O-CD 3.3Å; Y46-R61 PolarHBondContact O-NH1 3.42Å; Y46-R61 VanDerWaalsContact O-NH1 3.16Å; R61-H63 WeakPolarHBondContact CG-NE2 3.43Å; R61-V68 CarbonylContact O-C 3.6Å; R61-V68 VanDerWaalsContact O-CA 3.27Å; R61-V68 WeakPolarHBondContact O-CA 3.14Å; R61-T69 WeakPolarHBondContact CB-OG1 3.19Å; R61-T69 PolarHBondContact N-O 3.44Å; R61-T69 PolarHBondContact O-N 3.09Å
62V90.4Very high89.3Confident0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-109.2107.8170.8-179.20000107.1V16 V22 L25 G45 Y46 L60 V68V16-V62 HydrophobicContact CG2-CG1 3.85Å; V22-V62 HydrophobicContact CG2-CG2 4.24Å; L25-V62 HydrophobicContact CD1-CG2 4.31Å; G45-V62 CarbonylContact C-O 3.55Å; G45-V62 VanDerWaalsContact CA-O 3.28Å; G45-V62 WeakPolarHBondContact CA-O 3.39Å; Y46-V62 PolarHBondContact N-O 2.92Å; Y46-V62 PolarHBondContact O-N 2.78Å; L60-V62 HydrophobicContact CD1-CG2 4.39Å; L60-V62 HydrophobicContact CG-CG2 4.38Å; V62-V68 HydrophobicContact CG1-CG2 4.24Å; V62-V68 HydrophobicContact CG2-CG1 4.28Å; V62-V68 HydrophobicContact CG2-CG2 4.29Å
63H90.3Very high89.6Confident56 Ų5643.2 Ų43.226%0.25922%0.224SC..EExtended strand (participates in β ladder)trans-83.1144.2-180-62.2-102.8000110.9R61 H65 G66 L67R61-H63 WeakPolarHBondContact CG-NE2 3.43Å; H63-H65 PolarHBondContact O-N 2.79Å; H63-G66 PolarHBondContact O-N 2.91Å; H63-L67 HydrophobicContact CB-CB 4.1Å; H63-L67 WeakPolarHBondContact CB-O 3.48Å; H63-L67 PolarHBondContact CD2-O 2.55Å; H63-L67 PolarHBondContact N-O 3.33Å
64S87.1Confident90.1Very high33 Ų3334.1 Ų34.123%0.23119%0.185CC..THydrogen-bonded Turntrans-66.2-4.4177.551.50000114.7P15 G43P15-S64 WeakPolarHBondContact CB-O 3.42Å; P15-S64 WeakPolarHBondContact CG-O 3.39Å; G43-S64 WeakPolarHBondContact O-CB 3.46Å; G43-S64 PolarHBondContact O-OG 3.03Å; G43-S64 VanDerWaalsContact O-OG 3.09Å
65H85.6Confident90.5Very high157 Ų15733.4 Ų33.473%0.72718%0.179SC*.THydrogen-bonded Turntrans-112.623.2-178.1-55-56.5000113.6H63H63-H65 PolarHBondContact O-N 2.79Å
66G88.1Confident90.3Very high4 Ų434.5 Ų34.54%0.04117%0.171CC..THydrogen-bonded Turntrans82.832.7172.500000114.7L12 H63L12-G66 WeakPolarHBondContact CB-O 3.42Å; L12-G66 PolarHBondContact N-O 2.94Å; H63-G66 PolarHBondContact O-N 2.91Å
67L91.4Very high90.1Very high50 Ų5040 Ų4026%0.26220%0.203SC..EExtended strand (participates in β ladder)trans-123.5134.8171.5175.665.6000109.3H63 T69H63-L67 HydrophobicContact CB-CB 4.1Å; H63-L67 WeakPolarHBondContact CB-O 3.48Å; H63-L67 PolarHBondContact CD2-O 2.55Å; H63-L67 PolarHBondContact N-O 3.33Å; L67-T69 HydrophobicContact CD1-CG2 4.1Å; L67-T69 HydrophobicContact CD2-CG2 3.9Å; L67-T69 HydrophobicContact CG-CG2 3.84Å
68V90.8Very high89.7Confident0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-120125.4168.2-178.50000108I10 L12 L60 R61 V62I10-V68 HydrophobicContact CB-CB 4.33Å; I10-V68 PolarHBondContact N-O 2.81Å; I10-V68 PolarHBondContact O-N 3.28Å; L12-V68 HydrophobicContact CD1-CG2 4.13Å; L60-V68 HydrophobicContact CD1-CG1 3.66Å; R61-V68 CarbonylContact O-C 3.6Å; R61-V68 VanDerWaalsContact O-CA 3.27Å; R61-V68 WeakPolarHBondContact O-CA 3.14Å; V62-V68 HydrophobicContact CG1-CG2 4.24Å; V62-V68 HydrophobicContact CG2-CG1 4.28Å; V62-V68 HydrophobicContact CG2-CG2 4.29Å
69T93.3Very high89.2Confident21 Ų2143 Ų4313%0.12922%0.219CC..EExtended strand (participates in β ladder)trans-118.5145.2174.472.10000110.3L8 R61 L67L8-T69 CarbonylContact O-C 3.51Å; L8-T69 WeakPolarHBondContact O-CA 3.34Å; R61-T69 WeakPolarHBondContact CB-OG1 3.19Å; R61-T69 PolarHBondContact N-O 3.44Å; R61-T69 PolarHBondContact O-N 3.09Å; L67-T69 HydrophobicContact CD1-CG2 4.1Å; L67-T69 HydrophobicContact CD2-CG2 3.9Å; L67-T69 HydrophobicContact CG-CG2 3.84Å
70I92.4Very high88.7Confident3 Ų344.8 Ų44.82%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-130.9122.3175.9-51.1-174.6000108.6T7 L8 V58 V59 L60 L90 L94T7-I70 CarbonylContact C-O 3.58Å; T7-I70 WeakPolarHBondContact CA-O 3.17Å; L8-I70 HydrophobicContact CB-CB 4.29Å; L8-I70 HydrophobicContact CD2-CD1 4.38Å; L8-I70 PolarHBondContact N-O 3.42Å; L8-I70 PolarHBondContact O-N 3.29Å; V58-I70 HydrophobicContact CG1-CG2 3.8Å; V59-I70 WeakPolarHBondContact O-CA 3.42Å; L60-I70 HydrophobicContact CD1-CD1 3.95Å; L60-I70 HydrophobicContact CD1-CG1 3.7Å; I70-L90 HydrophobicContact CD1-CD1 3.97Å; I70-L90 HydrophobicContact CD1-CD2 3.62Å; I70-L90 HydrophobicContact CD1-CG 3.93Å; I70-L90 HydrophobicContact CG2-CD2 4.03Å; I70-L94 HydrophobicContact CD1-CD1 3.55Å
71D94.7Very high88.3Confident49 Ų4947.5 Ų47.526%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-109.2126172.3-65.3-95.9000108.4H5 Y6 V58 V59H5-D71 IonicContact CD2-OD1 2.72Å; H5-D71 IonicContact CE1-OD1 3.61Å; H5-D71 IonicContact NE2-OD1 3.65Å; H5-D71 PolarHBondContact NE2-OD1 2.82Å; Y6-D71 WeakPolarHBondContact O-CA 3.44Å; V58-D71 CarbonylContact C-O 3.52Å; V58-D71 VanDerWaalsContact CA-O 3.26Å; V58-D71 WeakPolarHBondContact CA-O 3.28Å; V59-D71 HydrophobicContact CB-CB 4.22Å; V59-D71 PolarHBondContact N-O 3.41Å; V59-D71 PolarHBondContact O-N 3.14Å
72L92.3Very high87.7Confident1 Ų151.5 Ų51.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-122.2123.5173.6-177.4157.6000109.4H5 Y6 L57 V58 C74 L83 L86 L87H5-L72 CarbonylContact C-O 3.6Å; H5-L72 WeakPolarHBondContact CA-O 3.33Å; Y6-L72 HydrophobicContact CD2-CD2 4Å; Y6-L72 PolarHBondContact N-O 3.39Å; Y6-L72 PolarHBondContact O-N 3.2Å; L57-L72 WeakPolarHBondContact O-CA 3.47Å; V58-L72 HydrophobicContact CG2-CB 4.31Å; V58-L72 HydrophobicContact CG2-CD1 3.87Å; V58-L72 HydrophobicContact CG2-CG 3.9Å; L72-C74 HydrophobicContact CD2-CB 4.16Å; L72-L83 HydrophobicContact CD1-CD1 3.49Å; L72-L83 VanDerWaalsContact CD1-CD1 3.49Å; L72-L83 HydrophobicContact CD2-CD1 3.46Å; L72-L83 VanDerWaalsContact CD2-CD1 3.46Å; L72-L83 HydrophobicContact CD2-CD2 3.85Å; L72-L83 HydrophobicContact CD2-CG 4.25Å; L72-L83 HydrophobicContact CG-CD1 4.13Å; L72-L86 HydrophobicContact CD1-CD2 3.92Å; L72-L87 HydrophobicContact CD1-CD2 4.43Å
73Q93.3Very high87.2Confident54 Ų5451.6 Ų51.625%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-112.5131.2174.4-168.6175.939.200110.5V3 R4 R56 L57V3-Q73 HydrophobicContact CB-CG 4.02Å; V3-Q73 HydrophobicContact CG2-CG 4.31Å; V3-Q73 VanDerWaalsContact CG2-NE2 3.29Å; R4-Q73 WeakPolarHBondContact O-CA 3.49Å; R56-Q73 WeakPolarHBondContact CA-O 3.4Å; L57-Q73 HydrophobicContact CB-CB 4.31Å; L57-Q73 PolarHBondContact N-O 3.22Å; L57-Q73 PolarHBondContact O-N 3.41Å
74C90.7Very high86.8Confident3 Ų351.6 Ų51.62%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-139.4163.417569.70000111.1V3 R4 L72 D78 L83V3-C74 CarbonylContact C-O 3.49Å; V3-C74 VanDerWaalsContact CA-O 3.25Å; V3-C74 WeakPolarHBondContact CA-O 3.27Å; V3-C74 WeakPolarHBondContact CB-O 3.22Å; R4-C74 PolarHBondContact N-O 3.38Å; R4-C74 PolarHBondContact O-N 2.89Å; L72-C74 HydrophobicContact CD2-CB 4.16Å; C74-D78 HydrophobicContact CB-CB 4.27Å; C74-L83 HydrophobicContact CB-CD2 4.31Å; C74-L83 WeakPolarHBondContact SG-CD2 3.34Å
75H88.1Confident86.7Confident54 Ų5455 Ų5525%0.2529%0.288CS..EExtended strand (participates in β ladder)trans-64.9149.7169.7-72.4-68.9000110.7N54 D77 D78N54-H75 PolarHBondContact O-CD2 2.94Å; H75-D77 PolarHBondContact O-N 3.43Å; H75-D78 WeakPolarHBondContact O-CB 3.46Å; H75-D78 PolarHBondContact O-N 2.86Å; H75-D78 VanDerWaalsContact O-N 3.17Å
76E81Confident86.4Confident71 Ų7148 Ų4833%0.33226%0.256SS..THydrogen-bonded Turntrans-63.1-28.8178.4-173.4174.5-144.500113.1A2 R4 D78A2-E76 HydrophobicContact CB-CB 4.1Å; A2-E76 VanDerWaalsContact CB-OE2 3.28Å; A2-E76 WeakPolarHBondContact CB-OE2 3.27Å; A2-E76 PolarHBondContact O-N 3.11Å; A2-E76 VanDerWaalsContact O-N 3.16Å; R4-E76 PolarHBondContact NH1-O 3.21Å; R4-E76 PolarHBondContact NH2-O 3.23Å; E76-D78 PolarHBondContact O-N 3Å
77D83.1Confident86.2Confident148 Ų14848.1 Ų48.179%0.79126%0.255SS*.THydrogen-bonded Turntrans-75.4-9178-57.9-43.9000113.4H75H75-D77 PolarHBondContact O-N 3.43Å
78D82Confident86Confident30 Ų3049.6 Ų49.616%0.1626%0.263CS..SBendtrans-63.4144.3175.2-87.119.9000110.8N54 R56 C74 H75 E76 I80N54-D78 PolarHBondContact ND2-OD2 3.34Å; R56-D78 IonicContact CZ-OD2 2.81Å; R56-D78 IonicContact NE-OD2 3.61Å; R56-D78 IonicContact NH2-OD2 3.16Å; R56-D78 PolarHBondContact NH2-OD2 2.96Å; C74-D78 HydrophobicContact CB-CB 4.27Å; H75-D78 WeakPolarHBondContact O-CB 3.46Å; H75-D78 PolarHBondContact O-N 2.86Å; H75-D78 VanDerWaalsContact O-N 3.17Å; E76-D78 PolarHBondContact O-N 3Å; D78-I80 PolarHBondContact O-N 2.95Å; D78-I80 VanDerWaalsContact O-N 3.08Å
79N82.9Confident85.6Confident86 Ų8652.2 Ų52.246%0.4629%0.285SS..  trans-65.3109.9179.9-175.1-43.4000111.4A81 Q82 L83N79-A81 VanDerWaalsContact C-N 3.32Å; N79-A81 PolarHBondContact O-N 3.07Å; N79-A81 WeakPolarHBondContact OD1-CB 3.33Å; N79-A81 PolarHBondContact OD1-N 3.38Å; N79-Q82 HydrophobicContact CB-CB 4.19Å; N79-Q82 HydrophobicContact CB-CG 4.06Å; N79-Q82 PolarHBondContact O-N 3.38Å; N79-Q82 PolarHBondContact OD1-N 3.14Å; N79-Q82 VanDerWaalsContact OD1-N 3.17Å; N79-L83 PolarHBondContact O-N 3.02Å; N79-L83 VanDerWaalsContact O-N 3.16Å
80I81.9Confident85Confident76 Ų7651.2 Ų51.239%0.3928%0.279SS..Hα-helixtrans-56.4-43.6-178.3-62173.9000111.8D78 Q82 L83 D84D78-I80 PolarHBondContact O-N 2.95Å; D78-I80 VanDerWaalsContact O-N 3.08Å; I80-Q82 VanDerWaalsContact C-N 3.32Å; I80-Q82 PolarHBondContact O-N 2.62Å; I80-L83 WeakPolarHBondContact O-CB 3.39Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-L83 VanDerWaalsContact O-N 3.08Å; I80-D84 PolarHBondContact O-N 2.73Å
81A82.6Confident84.7Confident57 Ų5753 Ų5347%0.47129%0.287SS..Hα-helixtrans-65.2-37.7-17700000111.9N79 L83 N85N79-A81 VanDerWaalsContact C-N 3.32Å; N79-A81 PolarHBondContact O-N 3.07Å; N79-A81 WeakPolarHBondContact OD1-CB 3.33Å; N79-A81 PolarHBondContact OD1-N 3.38Å; A81-L83 VanDerWaalsContact C-N 3.3Å; A81-N85 WeakPolarHBondContact O-CB 3.39Å; A81-N85 PolarHBondContact O-N 3.03Å; A81-N85 PolarHBondContact O-ND2 2.91Å; A81-N85 VanDerWaalsContact O-ND2 3.11Å
82Q79.4Confident84.3Confident128 Ų12858.2 Ų58.260%0.59831%0.307SS*.Hα-helixtrans-64.3-39173.6-70.2-177.9-11.200111.5N79 I80 N85 L86N79-Q82 HydrophobicContact CB-CB 4.19Å; N79-Q82 HydrophobicContact CB-CG 4.06Å; N79-Q82 PolarHBondContact O-N 3.38Å; N79-Q82 PolarHBondContact OD1-N 3.14Å; N79-Q82 VanDerWaalsContact OD1-N 3.17Å; I80-Q82 VanDerWaalsContact C-N 3.32Å; I80-Q82 PolarHBondContact O-N 2.62Å; Q82-N85 PolarHBondContact O-N 3.02Å; Q82-L86 PolarHBondContact O-N 3.48Å
83L81.1Confident83.7Confident2 Ų260.9 Ų60.91%0.0132%0.319CS..Hα-helixtrans-71.8-40.1-179.6-17652.6000113Y6 L72 C74 N79 I80 A81 N85 L86 L87Y6-L83 HydrophobicContact CD2-CD2 3.7Å; Y6-L83 HydrophobicContact CD2-CG 4.46Å; Y6-L83 HydrophobicContact CE1-CD2 4.27Å; Y6-L83 HydrophobicContact CE2-CD2 3.11Å; Y6-L83 HydrophobicContact CE2-CG 4.1Å; Y6-L83 VanDerWaalsContact CZ-CD2 3.45Å; L72-L83 HydrophobicContact CD1-CD1 3.49Å; L72-L83 VanDerWaalsContact CD1-CD1 3.49Å; L72-L83 HydrophobicContact CD2-CD1 3.46Å; L72-L83 VanDerWaalsContact CD2-CD1 3.46Å; L72-L83 HydrophobicContact CD2-CD2 3.85Å; L72-L83 HydrophobicContact CD2-CG 4.25Å; L72-L83 HydrophobicContact CG-CD1 4.13Å; C74-L83 HydrophobicContact CB-CD2 4.31Å; C74-L83 WeakPolarHBondContact SG-CD2 3.34Å; N79-L83 PolarHBondContact O-N 3.02Å; N79-L83 VanDerWaalsContact O-N 3.16Å; I80-L83 WeakPolarHBondContact O-CB 3.39Å; I80-L83 PolarHBondContact O-N 3.43Å; I80-L83 VanDerWaalsContact O-N 3.08Å; A81-L83 VanDerWaalsContact C-N 3.3Å; L83-N85 VanDerWaalsContact C-N 3.3Å; L83-N85 PolarHBondContact O-N 3.44Å; L83-L86 HydrophobicContact CD1-CD2 4.21Å; L83-L86 WeakPolarHBondContact O-CB 3.34Å; L83-L86 PolarHBondContact O-N 3.34Å; L83-L87 HydrophobicContact CG-CD1 4.4Å; L83-L87 PolarHBondContact O-N 2.95Å
84D82.1Confident83.2Confident56 Ų5658.3 Ų58.330%0.29931%0.307SS..Hα-helixtrans-61.9-41172.1-80.5-30.9000111.4I80 L86 L87 N88 R107I80-D84 PolarHBondContact O-N 2.73Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 3.03Å; D84-L87 PolarHBondContact O-N 3.22Å; D84-N88 VanDerWaalsContact O-CB 3.3Å; D84-N88 WeakPolarHBondContact O-CB 3.27Å; D84-N88 PolarHBondContact O-N 3.41Å; D84-N88 PolarHBondContact O-ND2 2.88Å; D84-N88 VanDerWaalsContact O-ND2 3.17Å; D84-N88 PolarHBondContact O-OD1 2.97Å; D84-R107 IonicContact OD1-CZ 2.93Å; D84-R107 IonicContact OD1-NH2 2.83Å; D84-R107 PolarHBondContact OD1-NH2 3.28Å
85N83.1Confident82.9Confident105 Ų10563 Ų6356%0.56133%0.327SS*.Hα-helixtrans-61.2-41.3173.8-73.3-26000112.1A81 Q82 L83 N88 A89A81-N85 WeakPolarHBondContact O-CB 3.39Å; A81-N85 PolarHBondContact O-N 3.03Å; A81-N85 PolarHBondContact O-ND2 2.91Å; A81-N85 VanDerWaalsContact O-ND2 3.11Å; Q82-N85 PolarHBondContact O-N 3.02Å; L83-N85 VanDerWaalsContact C-N 3.3Å; L83-N85 PolarHBondContact O-N 3.44Å; N85-N88 PolarHBondContact O-N 2.78Å; N85-A89 WeakPolarHBondContact O-CB 3.3Å; N85-A89 PolarHBondContact O-N 2.92Å
86L80.6Confident82.7Confident11 Ų1165.5 Ų65.56%0.05835%0.345CS..Hα-helixtrans-61.6-48.9175.3175.360.9000111.5Q32 L72 Q82 L83 D84 N88 A89 L90Q32-L86 HydrophobicContact CG-CD1 3.72Å; L72-L86 HydrophobicContact CD1-CD2 3.92Å; Q82-L86 PolarHBondContact O-N 3.48Å; L83-L86 HydrophobicContact CD1-CD2 4.21Å; L83-L86 WeakPolarHBondContact O-CB 3.34Å; L83-L86 PolarHBondContact O-N 3.34Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 3.03Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.88Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-L90 VanDerWaalsContact O-CB 3.27Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 PolarHBondContact O-N 3.15Å
87L83.8Confident82.7Confident5 Ų565.2 Ų65.23%0.02635%0.346CS..Hα-helixtrans-64.1-37.9178.9-71.5168.5000111.8Y6 L72 L83 D84 L90 E91Y6-L87 HydrophobicContact CD1-CD1 3.37Å; Y6-L87 HydrophobicContact CE1-CD1 4.06Å; Y6-L87 HydrophobicContact CG-CD1 3.75Å; L72-L87 HydrophobicContact CD1-CD2 4.43Å; L83-L87 HydrophobicContact CG-CD1 4.4Å; L83-L87 PolarHBondContact O-N 2.95Å; D84-L87 PolarHBondContact O-N 3.22Å; L87-L90 HydrophobicContact CD2-CD2 4.34Å; L87-L90 PolarHBondContact O-N 3.38Å; L87-E91 WeakPolarHBondContact O-CB 3.47Å; L87-E91 PolarHBondContact O-N 2.83Å
88N86.8Confident82.6Confident82 Ų8258.5 Ų58.544%0.43931%0.31SS..Hα-helixtrans-66.2-41.9175.3-68.3-18.2000112D84 N85 L86 K92 R107D84-N88 VanDerWaalsContact O-CB 3.3Å; D84-N88 WeakPolarHBondContact O-CB 3.27Å; D84-N88 PolarHBondContact O-N 3.41Å; D84-N88 PolarHBondContact O-ND2 2.88Å; D84-N88 VanDerWaalsContact O-ND2 3.17Å; D84-N88 PolarHBondContact O-OD1 2.97Å; N85-N88 PolarHBondContact O-N 2.78Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.88Å; N88-K92 WeakPolarHBondContact O-CB 3.34Å; N88-K92 PolarHBondContact O-N 3.44Å; N88-R107 PolarHBondContact OD1-NH1 3.45Å
89A82.8Confident82Confident54 Ų5463.8 Ų63.845%0.44634%0.338SS..Hα-helixtrans-64.5-42.917600000111.4N85 L86 K92 K93N85-A89 WeakPolarHBondContact O-CB 3.3Å; N85-A89 PolarHBondContact O-N 2.92Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-K92 PolarHBondContact O-N 3.33Å; A89-K93 WeakPolarHBondContact O-CB 3.47Å; A89-K93 PolarHBondContact O-N 3.47Å
90L80.5Confident81.3Confident1 Ų163.3 Ų63.31%0.00535%0.354CS..Hα-helixtrans-59.4-50.4175.6178.861.6000111.2I28 F29 I70 L86 L87 K92 K93 L94I28-L90 HydrophobicContact CB-CD1 4.3Å; I28-L90 HydrophobicContact CD1-CD1 3.53Å; I28-L90 HydrophobicContact CG1-CD1 4.48Å; I28-L90 HydrophobicContact CG2-CB 4.43Å; I28-L90 HydrophobicContact CG2-CD1 3.84Å; F29-L90 HydrophobicContact CE1-CD1 4.29Å; F29-L90 HydrophobicContact CE1-CD2 4.26Å; F29-L90 HydrophobicContact CE2-CD1 4.1Å; F29-L90 HydrophobicContact CZ-CD1 3.61Å; F29-L90 HydrophobicContact CZ-CD2 3.97Å; F29-L90 HydrophobicContact CZ-CG 4.46Å; I70-L90 HydrophobicContact CD1-CD1 3.97Å; I70-L90 HydrophobicContact CD1-CD2 3.62Å; I70-L90 HydrophobicContact CD1-CG 3.93Å; I70-L90 HydrophobicContact CG2-CD2 4.03Å; L86-L90 VanDerWaalsContact O-CB 3.27Å; L86-L90 WeakPolarHBondContact O-CB 3.41Å; L86-L90 PolarHBondContact O-N 3.15Å; L87-L90 HydrophobicContact CD2-CD2 4.34Å; L87-L90 PolarHBondContact O-N 3.38Å; L90-K92 VanDerWaalsContact C-N 3.35Å; L90-K92 PolarHBondContact O-N 3.09Å; L90-K93 PolarHBondContact O-N 2.88Å; L90-L94 HydrophobicContact CD1-CD1 3.82Å; L90-L94 HydrophobicContact CD1-CG 4.43Å; L90-L94 HydrophobicContact CG-CD1 3.71Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CD1 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 2.85Å
91E85.2Confident81.4Confident39 Ų3960.7 Ų60.718%0.18234%0.341CS..Hα-helixtrans-59.9-43.6177.2-168.4-171.7139.300111.9L8 L87 K93 L94 K95 I105L8-E91 HydrophobicContact CD2-CB 4.44Å; L87-E91 WeakPolarHBondContact O-CB 3.47Å; L87-E91 PolarHBondContact O-N 2.83Å; E91-K93 PolarHBondContact O-N 2.79Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-K95 WeakPolarHBondContact O-CG 3.47Å; E91-K95 PolarHBondContact O-N 2.86Å; E91-K95 VanDerWaalsContact OE1-CE 3.3Å; E91-K95 WeakPolarHBondContact OE1-CE 3.36Å; E91-K95 IonicContact OE1-NZ 3.98Å; E91-K95 PolarHBondContact OE1-NZ 3.4Å; E91-I105 HydrophobicContact CG-CD1 4.28Å; E91-I105 HydrophobicContact CG-CG2 4.45Å
92K86.3Confident81.8Confident159 Ų15960 Ų6069%0.69133%0.329SS*.Hα-helixtrans-61.6-44.3177.7-177.2177.7178-177.80111.8N88 A89 L90 K95 V96N88-K92 WeakPolarHBondContact O-CB 3.34Å; N88-K92 PolarHBondContact O-N 3.44Å; A89-K92 PolarHBondContact O-N 3.33Å; L90-K92 VanDerWaalsContact C-N 3.35Å; L90-K92 PolarHBondContact O-N 3.09Å; K92-K95 PolarHBondContact O-N 3.15Å; K92-V96 WeakPolarHBondContact O-CG2 3.26Å; K92-V96 PolarHBondContact O-N 3.19Å
93K81.6Confident82.4Confident57 Ų5758.3 Ų58.325%0.24833%0.327CS..Hα-helixtrans-72.3-36.8-179.5-168.9152.5155.7-163.30111.5S27 I28 E31 A89 L90 E91 K95 V96 L97S27-K93 VanDerWaalsContact OG-CE 3.22Å; S27-K93 WeakPolarHBondContact OG-CE 3.47Å; S27-K93 PolarHBondContact OG-NZ 3.49Å; I28-K93 HydrophobicContact CD1-CB 3.79Å; I28-K93 HydrophobicContact CD1-CD 3.98Å; I28-K93 HydrophobicContact CD1-CG 3.72Å; I28-K93 HydrophobicContact CG1-CB 4.31Å; I28-K93 HydrophobicContact CG1-CD 3.57Å; I28-K93 VanDerWaalsContact CG1-CE 3.42Å; I28-K93 HydrophobicContact CG1-CG 3.91Å; E31-K93 IonicContact OE1-NZ 3.69Å; E31-K93 PolarHBondContact OE1-NZ 3.26Å; A89-K93 WeakPolarHBondContact O-CB 3.47Å; A89-K93 PolarHBondContact O-N 3.47Å; L90-K93 PolarHBondContact O-N 2.88Å; E91-K93 PolarHBondContact O-N 2.79Å; K93-K95 PolarHBondContact O-N 2.79Å; K93-V96 PolarHBondContact O-N 2.95Å; K93-L97 HydrophobicContact CG-CD1 4.12Å; K93-L97 WeakPolarHBondContact O-CG 3.31Å; K93-L97 PolarHBondContact O-N 3.31Å
94L81Confident82.9Confident0 Ų065.1 Ų65.10%035%0.352CS..Hα-helixtrans-57.7-44.8170.4-83155.4000112.1L8 I10 L25 I70 L90 E91 V96 L97 L98L8-L94 HydrophobicContact CD2-CD1 4.06Å; I10-L94 HydrophobicContact CD1-CB 3.85Å; I10-L94 HydrophobicContact CD1-CD1 3.56Å; I10-L94 HydrophobicContact CD1-CD2 3.82Å; I10-L94 HydrophobicContact CD1-CG 3.95Å; L25-L94 HydrophobicContact CD1-CD2 4.18Å; L25-L94 HydrophobicContact CD2-CD2 3.24Å; L25-L94 HydrophobicContact CD2-CG 3.87Å; L25-L94 HydrophobicContact CG-CD2 4.36Å; I70-L94 HydrophobicContact CD1-CD1 3.55Å; L90-L94 HydrophobicContact CD1-CD1 3.82Å; L90-L94 HydrophobicContact CD1-CG 4.43Å; L90-L94 HydrophobicContact CG-CD1 3.71Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CD1 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 2.85Å; E91-L94 PolarHBondContact O-N 2.87Å; L94-V96 VanDerWaalsContact C-N 3.28Å; L94-V96 PolarHBondContact O-N 3.21Å; L94-L97 PolarHBondContact O-N 2.85Å; L94-L98 HydrophobicContact CB-CD1 4.32Å; L94-L98 HydrophobicContact CD2-CD1 3.69Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.29Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.96Å
95K84.9Confident83.4Confident102 Ų10264.7 Ų64.744%0.44335%0.35SS..Hα-helixtrans-59-38.7176-77.4169.9172168.40112.8E91 K92 K93 N99 I102 I105E91-K95 WeakPolarHBondContact O-CG 3.47Å; E91-K95 PolarHBondContact O-N 2.86Å; E91-K95 VanDerWaalsContact OE1-CE 3.3Å; E91-K95 WeakPolarHBondContact OE1-CE 3.36Å; E91-K95 IonicContact OE1-NZ 3.98Å; E91-K95 PolarHBondContact OE1-NZ 3.4Å; K92-K95 PolarHBondContact O-N 3.15Å; K93-K95 PolarHBondContact O-N 2.79Å; K95-N99 PolarHBondContact O-N 2.79Å; K95-I102 HydrophobicContact CG-CD1 4.09Å; K95-I105 HydrophobicContact CD-CD1 4.29Å; K95-I105 HydrophobicContact CG-CD1 3.99Å
96V84.6Confident84Confident106 Ų10663.7 Ų63.764%0.64234%0.34SS*.Hα-helixtrans-70.3-46.3177.1174.70000111.1K92 K93 L94 N99K92-V96 WeakPolarHBondContact O-CG2 3.26Å; K92-V96 PolarHBondContact O-N 3.19Å; K93-V96 PolarHBondContact O-N 2.95Å; L94-V96 VanDerWaalsContact C-N 3.28Å; L94-V96 PolarHBondContact O-N 3.21Å; V96-N99 PolarHBondContact O-N 2.68Å
97L80.4Confident84.6Confident66 Ų6666.7 Ų66.735%0.34635%0.351SS..Hα-helixtrans-69.3-34.7-176.6-72.1168.1000113.2G24 L25 K93 L94G24-L97 VanDerWaalsContact C-CD1 3.5Å; L25-L97 HydrophobicContact CD2-CD1 3.59Å; L25-L97 HydrophobicContact CG-CD1 4.31Å; K93-L97 HydrophobicContact CG-CD1 4.12Å; K93-L97 WeakPolarHBondContact O-CG 3.31Å; K93-L97 PolarHBondContact O-N 3.31Å; L94-L97 PolarHBondContact O-N 2.85Å
98L81.9Confident85.1Confident6 Ų670.5 Ų70.53%0.03137%0.371CS..THydrogen-bonded Turntrans-93.83.2-176.7-58.3166.8000112.6I10 L12 V16 V21 L94 G100 N101 I102I10-L98 HydrophobicContact CD1-CD1 4.44Å; I10-L98 HydrophobicContact CG2-CD1 4.06Å; L12-L98 HydrophobicContact CD1-CD2 4.22Å; L12-L98 HydrophobicContact CD2-CB 4.31Å; L12-L98 HydrophobicContact CD2-CD1 4.12Å; L12-L98 HydrophobicContact CD2-CD2 4.4Å; V16-L98 HydrophobicContact CG1-CD2 3.94Å; V21-L98 HydrophobicContact CG1-CD2 3.81Å; L94-L98 HydrophobicContact CB-CD1 4.32Å; L94-L98 HydrophobicContact CD2-CD1 3.69Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.29Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.96Å; L98-G100 PolarHBondContact O-N 2.75Å; L98-G100 VanDerWaalsContact O-N 3.14Å; L98-N101 WeakPolarHBondContact O-CB 3.35Å; L98-N101 PolarHBondContact O-N 2.87Å; L98-I102 HydrophobicContact CB-CD1 3.99Å; L98-I102 HydrophobicContact CB-CG1 3.82Å; L98-I102 HydrophobicContact CD1-CD1 4.22Å; L98-I102 HydrophobicContact CD1-CG1 4.32Å
99N67.8Low85.4Confident141 Ų14171 Ų7175%0.75438%0.379SS*.THydrogen-bonded Turntrans19.872.7164.4-162.631.6000117.3K95 V96 N101K95-N99 PolarHBondContact O-N 2.79Å; V96-N99 PolarHBondContact O-N 2.68Å; N99-N101 VanDerWaalsContact C-N 3.28Å; N99-N101 PolarHBondContact O-N 2.88Å
100G69.3Low85.9Confident76 Ų7669.4 Ų69.478%0.78437%0.366SS*.THydrogen-bonded Turntrans81.9-3.3173.700000115.6L98 I102L98-G100 PolarHBondContact O-N 2.75Å; L98-G100 VanDerWaalsContact O-N 3.14Å; G100-I102 VanDerWaalsContact C-N 3.34Å
101N83.6Confident86.7Confident22 Ų2272.5 Ų72.512%0.11838%0.382CS..  trans-79.9-17.8173.9-162.7-0.1000112.2L12 S13 T14 L98 N99 T103L12-N101 CarbonylContact C-O 3.39Å; L12-N101 WeakPolarHBondContact CA-O 3.36Å; L12-N101 HydrophobicContact CD2-CB 4.48Å; S13-N101 WeakPolarHBondContact CA-OD1 3.38Å; S13-N101 PolarHBondContact N-O 2.78Å; S13-N101 PolarHBondContact N-OD1 3.41Å; S13-N101 PolarHBondContact OG-O 3.4Å; S13-N101 PolarHBondContact OG-OD1 3.48Å; T14-N101 PolarHBondContact N-OD1 3.1Å; T14-N101 PolarHBondContact O-ND2 2.92Å; T14-N101 PolarHBondContact OG1-ND2 3.12Å; T14-N101 VanDerWaalsContact OG1-ND2 3.09Å; T14-N101 PolarHBondContact OG1-OD1 3.34Å; L98-N101 WeakPolarHBondContact O-CB 3.35Å; L98-N101 PolarHBondContact O-N 2.87Å; N99-N101 VanDerWaalsContact C-N 3.28Å; N99-N101 PolarHBondContact O-N 2.88Å; N101-T103 PolarHBondContact O-N 2.89Å
102I90.2Very high87.1Confident43 Ų4371.9 Ų71.922%0.22138%0.38CS..EExtended strand (participates in β ladder)trans-69.9122.1-177.7-58.6176.4000111.2I10 N11 L12 K95 L98 G100 I105I10-I102 HydrophobicContact CG2-CB 4.44Å; I10-I102 HydrophobicContact CG2-CD1 3.99Å; I10-I102 HydrophobicContact CG2-CG1 3.81Å; I10-I102 HydrophobicContact CG2-CG2 3.95Å; N11-I102 CarbonylContact O-C 3.42Å; N11-I102 WeakPolarHBondContact O-CA 3.13Å; L12-I102 HydrophobicContact CD2-CB 4.48Å; L12-I102 HydrophobicContact CD2-CG1 3.84Å; K95-I102 HydrophobicContact CG-CD1 4.09Å; L98-I102 HydrophobicContact CB-CD1 3.99Å; L98-I102 HydrophobicContact CB-CG1 3.82Å; L98-I102 HydrophobicContact CD1-CD1 4.22Å; L98-I102 HydrophobicContact CD1-CG1 4.32Å; G100-I102 VanDerWaalsContact C-N 3.34Å; I102-I105 HydrophobicContact CD1-CD1 4.16Å; I102-I105 HydrophobicContact CG2-CD1 4.1Å; I102-I105 HydrophobicContact CG2-CG1 3.57Å
103T92.1Very high87.6Confident91 Ų9170.6 Ų70.656%0.55837%0.371SS*.EExtended strand (participates in β ladder)trans-94.9-33172.656.30000112.2N11 N101N11-T103 WeakPolarHBondContact CB-OG1 3.28Å; N11-T103 PolarHBondContact O-N 3.48Å; N11-T103 PolarHBondContact O-OG1 3.19Å; N101-T103 PolarHBondContact O-N 2.89Å
104R92.9Very high88.2Confident145 Ų14570.9 Ų70.955%0.54739%0.391SS..EExtended strand (participates in β ladder)trans-154.7139.7-178.9-177-177.1177.8-155.81.8111.4I10 N11I10-R104 WeakPolarHBondContact CA-O 3.46Å; N11-R104 HydrophobicContact CB-CB 4.17Å; N11-R104 PolarHBondContact N-O 3.07Å; N11-R104 PolarHBondContact O-N 3.49Å
105I92.3Very high88.8Confident48 Ų4872.4 Ų72.425%0.24640%0.403CS..EExtended strand (participates in β ladder)trans-116.6135.1166.5-55-178.7000108L8 D9 I10 E91 K95 I102L8-I105 HydrophobicContact CD1-CG2 3.57Å; D9-I105 CarbonylContact O-C 3.54Å; D9-I105 WeakPolarHBondContact O-CA 3.45Å; I10-I105 HydrophobicContact CG1-CG1 4.3Å; I10-I105 HydrophobicContact CG1-CG2 4.3Å; I10-I105 HydrophobicContact CG2-CG1 4.45Å; E91-I105 HydrophobicContact CG-CD1 4.28Å; E91-I105 HydrophobicContact CG-CG2 4.45Å; K95-I105 HydrophobicContact CD-CD1 4.29Å; K95-I105 HydrophobicContact CG-CD1 3.99Å; I102-I105 HydrophobicContact CD1-CD1 4.16Å; I102-I105 HydrophobicContact CG2-CD1 4.1Å; I102-I105 HydrophobicContact CG2-CG1 3.57Å
106K94.7Very high89.1Confident83 Ų8377.1 Ų77.136%0.36142%0.424SS..EExtended strand (participates in β ladder)trans-132.4120.9176-174.162.3171170.60109.5D9 L108D9-K106 HydrophobicContact CB-CB 4.34Å; D9-K106 PolarHBondContact N-O 3.27Å; D9-K106 PolarHBondContact O-N 3.46Å; K106-L108 VanDerWaalsContact CE-CD2 3.48Å
107R93.2Very high89.7Confident75 Ų7573.9 Ų73.928%0.28340%0.404SS..EExtended strand (participates in β ladder)trans-119.5118.9171.3-173.8175.4174.7-168.7-9.3107.7L8 D84 N88L8-R107 HydrophobicContact CD1-CB 4.02Å; D84-R107 IonicContact OD1-CZ 2.93Å; D84-R107 IonicContact OD1-NH2 2.83Å; D84-R107 PolarHBondContact OD1-NH2 3.28Å; N88-R107 PolarHBondContact OD1-NH1 3.45Å
108L94.6Very high90.4Very high84 Ų8474.3 Ų74.344%0.4441%0.407SS..PPolyproline II helixtrans-90160.3176.1-67.5174.5000110.2K106K106-L108 VanDerWaalsContact CE-CD2 3.48Å
109P93.9Very high91.2Very high94 Ų9477.5 Ų77.561%0.6142%0.418SS*.PPolyproline II helixtrans-52145.6162.3-23.634.8000110.5
110A93.6Very high92.7Very high20 Ų2072.2 Ų72.217%0.16539%0.388CS..PPolyproline II helixtrans-69.3134.7178.900000110.6H5 Y6H5-A110 CarbonylContact O-C 3.48Å; H5-A110 VanDerWaalsContact O-CA 3.28Å; H5-A110 WeakPolarHBondContact O-CA 3.4Å; Y6-A110 HydrophobicContact CD1-CB 3.6Å; Y6-A110 HydrophobicContact CD2-CB 3.93Å; Y6-A110 HydrophobicContact CE1-CB 3.53Å; Y6-A110 HydrophobicContact CE2-CB 3.82Å; Y6-A110 HydrophobicContact CG-CB 3.8Å
111L95.8Very high94Very high66 Ų6669.9 Ų69.935%0.34636%0.355SS..EExtended strand (participates in β ladder)trans-80.3130.8171.8-61.4179.4000109.7R4 H5 Y120 L128R4-L111 CarbonylContact C-O 3.55Å; R4-L111 WeakPolarHBondContact CA-O 3.31Å; H5-L111 PolarHBondContact N-O 3.17Å; H5-L111 PolarHBondContact O-N 3.26Å; L111-Y120 WeakPolarHBondContact CA-OH 3.33Å; L111-Y120 HydrophobicContact CD2-CD1 4.17Å; L111-Y120 HydrophobicContact CD2-CE1 3.51Å; L111-L128 HydrophobicContact CD1-CD2 4.46Å; L111-L128 HydrophobicContact CD2-CD2 4.25Å
112V95.3Very high94.7Very high25 Ų2572.8 Ų72.815%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-96.7116.9174.3-1650000108.7A2 V3 R4 A115 Y120A2-V112 HydrophobicContact CB-CG1 3.99Å; V3-V112 CarbonylContact O-C 3.19Å; V3-V112 WeakPolarHBondContact O-CA 3.31Å; R4-V112 HydrophobicContact CG-CG2 4.35Å; V112-A115 HydrophobicContact CB-CB 4.47Å; V112-A115 HydrophobicContact CG1-CB 3.83Å; V112-Y120 HydrophobicContact CB-CE2 4.46Å; V112-Y120 PolarHBondContact N-OH 3.26Å; V112-Y120 VanDerWaalsContact O-CE2 3.22Å; V112-Y120 WeakPolarHBondContact O-CE2 3.19Å
113R95.5Very high95.1Very high132 Ų13271.2 Ų71.250%0.49837%0.368SS..EExtended strand (participates in β ladder)trans-110.3131.5-173.8-58.5168.260.7-168.7-2.7109.8A2 V3 H5 A115A2-R113 WeakPolarHBondContact CA-O 3.29Å; V3-R113 HydrophobicContact CG2-CB 3.77Å; V3-R113 PolarHBondContact N-O 3.06Å; V3-R113 PolarHBondContact O-N 2.96Å; H5-R113 PolarHBondContact ND1-NH1 3.38Å; R113-A115 VanDerWaalsContact C-N 3.28Å
114G94.6Very high95.3Very high64 Ų6469 Ų6966%0.6636%0.359SS*.SBendtrans70.824.1-177.100000113.7
115A93.4Very high95.4Very high31 Ų3164.2 Ų64.226%0.25634%0.344SS..  trans-63.3148.7170.900000110.5A2 V112 R113 V117A2-A115 HydrophobicContact CB-CB 4.27Å; V112-A115 HydrophobicContact CB-CB 4.47Å; V112-A115 HydrophobicContact CG1-CB 3.83Å; R113-A115 VanDerWaalsContact C-N 3.28Å; A115-V117 VanDerWaalsContact C-N 3.26Å; A115-V117 WeakPolarHBondContact CB-O 3.29Å
116K92.3Very high95.6Very high202 Ų20264.9 Ų64.988%0.87836%0.363SS*.SBendtrans-67.6-32.3171.9-177.1179.7176.2-170.40111.4
117V95.6Very high95.8Very high37 Ų3765.3 Ų65.322%0.22436%0.362CS..SBendtrans-105.6108.5175.9-178.40000107.2A115 V133 V136A115-V117 VanDerWaalsContact C-N 3.26Å; A115-V117 WeakPolarHBondContact CB-O 3.29Å; V117-V133 HydrophobicContact CG1-CB 4.34Å; V117-V133 HydrophobicContact CG1-CG1 3.49Å; V117-V133 VanDerWaalsContact CG1-CG1 3.49Å; V117-V136 HydrophobicContact CG1-CG2 4.43Å; V117-V136 HydrophobicContact CG2-CG2 4.31Å
118D96.7Very high96Very high76 Ų7667.1 Ų67.141%0.40638%0.377SS..  trans-79.9130176.4-159.9-12.5000110.7Y120 W121D118-Y120 PolarHBondContact OD1-N 2.82Å; D118-W121 HydrophobicContact CB-CZ2 4.15Å; D118-W121 PolarHBondContact O-NE1 3.12Å
119R97.9Very high96.2Very high72 Ų7264.1 Ų64.127%0.27236%0.362SS..  trans-110.6-7.6-176.9-66.216463.397.6-1111.8E130 Y131 V133R119-E130 HydrophobicContact CB-CG 4.01Å; R119-E130 IonicContact CZ-OE1 3.54Å; R119-E130 VanDerWaalsContact CZ-OE1 3.26Å; R119-E130 IonicContact NE-OE1 2.63Å; R119-E130 PolarHBondContact NE-OE1 2.81Å; R119-E130 IonicContact NH2-OE1 2.81Å; R119-E130 PolarHBondContact NH2-OE1 3.43Å; R119-E130 WeakPolarHBondContact O-CA 3.34Å; R119-Y131 PolarHBondContact O-N 2.67Å; R119-V133 HydrophobicContact CG-CB 4.27Å; R119-V133 PolarHBondContact NH1-O 3Å
120Y98.3Very high96.4Very high31 Ų3163.2 Ų63.212%0.12235%0.35CS..BIsolated β-bridgetrans-107.696.3-169.7-53.1-75.4000109.9L111 V112 D118 P122 L128 V129 E130L111-Y120 WeakPolarHBondContact CA-OH 3.33Å; L111-Y120 HydrophobicContact CD2-CD1 4.17Å; L111-Y120 HydrophobicContact CD2-CE1 3.51Å; V112-Y120 HydrophobicContact CB-CE2 4.46Å; V112-Y120 PolarHBondContact N-OH 3.26Å; V112-Y120 VanDerWaalsContact O-CE2 3.22Å; V112-Y120 WeakPolarHBondContact O-CE2 3.19Å; D118-Y120 PolarHBondContact OD1-N 2.82Å; Y120-P122 WeakPolarHBondContact O-CD 3.37Å; Y120-L128 HydrophobicContact CD1-CD1 4.15Å; Y120-V129 WeakPolarHBondContact CA-O 3.46Å; Y120-E130 HydrophobicContact CD1-CB 3.98Å; Y120-E130 HydrophobicContact CD1-CG 4.06Å; Y120-E130 HydrophobicContact CE1-CB 3.82Å; Y120-E130 HydrophobicContact CE1-CG 3.61Å
121W97.8Very high96.7Very high26 Ų2662.6 Ų62.610%0.09834%0.343CS..  trans-116.393.2179.8-61.398.4000108.9D118 V129 Y131 K148 L150 V160 V165D118-W121 HydrophobicContact CB-CZ2 4.15Å; D118-W121 PolarHBondContact O-NE1 3.12Å; W121-V129 WeakPolarHBondContact O-CG2 3.39Å; W121-Y131 HydrophobicContact CB-CD2 4.03Å; W121-Y131 HydrophobicContact CB-CE2 3.73Å; W121-Y131 AromaticContact CD1-CD2 3.99Å; W121-Y131 HydrophobicContact CG-CD2 4.43Å; W121-K148 HydrophobicContact CH2-CD 3.65Å; W121-K148 HydrophobicContact CZ2-CD 4.12Å; W121-L150 VanDerWaalsContact CE2-CD1 3.44Å; W121-L150 HydrophobicContact CZ2-CD1 3.49Å; W121-L150 VanDerWaalsContact CZ2-CD1 3.49Å; W121-V160 HydrophobicContact CE3-CG1 4.01Å; W121-V160 HydrophobicContact CH2-CG1 4.23Å; W121-V160 HydrophobicContact CZ3-CG1 3.84Å; W121-V165 HydrophobicContact CB-CG2 4.23Å
122P97.9Very high96.8Very high83 Ų8361 Ų6154%0.53934%0.335SS..  trans-57.4148.2-176.6-24.635000112.6Y120 R127Y120-P122 WeakPolarHBondContact O-CD 3.37Å; P122-R127 VanDerWaalsContact CA-O 3.26Å; P122-R127 WeakPolarHBondContact CA-O 3.4Å
123T98.3Very high96.9Very high11 Ų1159.9 Ų59.97%0.06733%0.328CS..  trans-72.9165.7177.655.50000111.6D125 G126 R127 V129 E350T123-D125 WeakPolarHBondContact CB-OD1 3.29Å; T123-D125 PolarHBondContact O-N 3.13Å; T123-D125 VanDerWaalsContact O-N 3.17Å; T123-D125 PolarHBondContact OG1-OD1 2.91Å; T123-G126 WeakPolarHBondContact O-CA 3.5Å; T123-G126 PolarHBondContact O-N 2.85Å; T123-R127 PolarHBondContact N-O 3.15Å; T123-R127 VanDerWaalsContact N-O 3.1Å; T123-R127 VanDerWaalsContact OG1-CB 3.3Å; T123-R127 WeakPolarHBondContact OG1-CB 3.43Å; T123-R127 PolarHBondContact OG1-N 2.93Å; T123-R127 PolarHBondContact OG1-NH2 2.66Å; T123-R127 PolarHBondContact OG1-O 2.81Å; T123-V129 HydrophobicContact CG2-CG1 3.89Å; T123-V129 HydrophobicContact CG2-CG2 4Å; T123-E350 VanDerWaalsContact CB-OE1 3.28Å; T123-E350 WeakPolarHBondContact CB-OE1 3.15Å
124A96.4Very high97Very high45 Ų4556.7 Ų56.737%0.37232%0.321SS..THydrogen-bonded Turntrans-59.8-29.6179.900000112.7G126 L318 E350 W352A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 2.81Å; A124-L318 HydrophobicContact CB-CD1 4.26Å; A124-E350 WeakPolarHBondContact CB-OE1 3.4Å; A124-E350 PolarHBondContact N-OE1 3.36Å; A124-W352 HydrophobicContact CB-CH2 3.87Å; A124-W352 HydrophobicContact CB-CZ3 3.9Å
125D96.2Very high97.2Very high44 Ų4458.8 Ų58.824%0.23531%0.314CS..THydrogen-bonded Turntrans-86.511.3173.372.5-21.3000114.6T123 R127 N317 L318T123-D125 WeakPolarHBondContact CB-OD1 3.29Å; T123-D125 PolarHBondContact O-N 3.13Å; T123-D125 VanDerWaalsContact O-N 3.17Å; T123-D125 PolarHBondContact OG1-OD1 2.91Å; D125-R127 VanDerWaalsContact CG-NE 3.29Å; D125-R127 IonicContact OD1-CZ 3.38Å; D125-R127 VanDerWaalsContact OD1-CZ 3.3Å; D125-R127 IonicContact OD1-NE 3.91Å; D125-R127 PolarHBondContact OD1-NE 2.87Å; D125-R127 IonicContact OD1-NH2 3.26Å; D125-R127 PolarHBondContact OD1-NH2 3.04Å; D125-R127 IonicContact OD2-CZ 2.83Å; D125-R127 IonicContact OD2-NE 2.96Å; D125-R127 PolarHBondContact OD2-NE 3.22Å; D125-R127 IonicContact OD2-NH2 2.88Å; D125-N317 HydrophobicContact CB-CB 4.08Å; D125-N317 PolarHBondContact OD2-ND2 2.85Å; D125-L318 HydrophobicContact CB-CD2 4.34Å
126G96.2Very high97.4Very high62 Ų6259.3 Ų59.364%0.63931%0.314SS*.  trans80.319169.900000115.5T123 A124T123-G126 WeakPolarHBondContact O-CA 3.5Å; T123-G126 PolarHBondContact O-N 2.85Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 2.81Å
127R98.3Very high97.7Very high92 Ų9251.2 Ų51.235%0.34728%0.281SS..  trans-81.7138.1175.8-62.1174.9-76.21095.7110.4P122 T123 D125 V129 L349 E350P122-R127 VanDerWaalsContact CA-O 3.26Å; P122-R127 WeakPolarHBondContact CA-O 3.4Å; T123-R127 PolarHBondContact N-O 3.15Å; T123-R127 VanDerWaalsContact N-O 3.1Å; T123-R127 VanDerWaalsContact OG1-CB 3.3Å; T123-R127 WeakPolarHBondContact OG1-CB 3.43Å; T123-R127 PolarHBondContact OG1-N 2.93Å; T123-R127 PolarHBondContact OG1-NH2 2.66Å; T123-R127 PolarHBondContact OG1-O 2.81Å; D125-R127 VanDerWaalsContact CG-NE 3.29Å; D125-R127 IonicContact OD1-CZ 3.38Å; D125-R127 VanDerWaalsContact OD1-CZ 3.3Å; D125-R127 IonicContact OD1-NE 3.91Å; D125-R127 PolarHBondContact OD1-NE 2.87Å; D125-R127 IonicContact OD1-NH2 3.26Å; D125-R127 PolarHBondContact OD1-NH2 3.04Å; D125-R127 IonicContact OD2-CZ 2.83Å; D125-R127 IonicContact OD2-NE 2.96Å; D125-R127 PolarHBondContact OD2-NE 3.22Å; D125-R127 IonicContact OD2-NH2 2.88Å; R127-V129 PolarHBondContact O-N 3.17Å; R127-L349 PolarHBondContact NH1-O 2.87Å; R127-L349 PolarHBondContact NH2-O 3.47Å; R127-E350 IonicContact NH2-OE2 3.81Å
128L98.3Very high97.9Very high113 Ų11350.9 Ų50.959%0.59228%0.276SS*.  trans-71.6120.1169.2178.963.7000109.5L111 Y120L111-L128 HydrophobicContact CD1-CD2 4.46Å; L111-L128 HydrophobicContact CD2-CD2 4.25Å; Y120-L128 HydrophobicContact CD1-CD1 4.15Å
129V98.2Very high97.9Very high21 Ų2152.7 Ų52.713%0.12728%0.282CS..  trans-128147.9172.3-63.10000109.4Y120 W121 T123 R127 Y131 L349Y120-V129 WeakPolarHBondContact CA-O 3.46Å; W121-V129 WeakPolarHBondContact O-CG2 3.39Å; T123-V129 HydrophobicContact CG2-CG1 3.89Å; T123-V129 HydrophobicContact CG2-CG2 4Å; R127-V129 PolarHBondContact O-N 3.17Å; V129-Y131 HydrophobicContact CG2-CD2 4.36Å; V129-Y131 HydrophobicContact CG2-CE2 3.71Å; V129-L349 HydrophobicContact CB-CD1 3.85Å; V129-L349 HydrophobicContact CG1-CD1 4.3Å; V129-L349 HydrophobicContact CG2-CD1 3.93Å
130E98.5Very high97.9Very high74 Ų7453 Ų5335%0.34629%0.286SS..BIsolated β-bridgetrans-114.2126.3175.1-175.5-174.5164.700108.6R119 Y120R119-E130 HydrophobicContact CB-CG 4.01Å; R119-E130 IonicContact CZ-OE1 3.54Å; R119-E130 VanDerWaalsContact CZ-OE1 3.26Å; R119-E130 IonicContact NE-OE1 2.63Å; R119-E130 PolarHBondContact NE-OE1 2.81Å; R119-E130 IonicContact NH2-OE1 2.81Å; R119-E130 PolarHBondContact NH2-OE1 3.43Å; R119-E130 WeakPolarHBondContact O-CA 3.34Å; Y120-E130 HydrophobicContact CD1-CB 3.98Å; Y120-E130 HydrophobicContact CD1-CG 4.06Å; Y120-E130 HydrophobicContact CE1-CB 3.82Å; Y120-E130 HydrophobicContact CE1-CG 3.61Å
131Y98.6Very high97.9Very high8 Ų856.8 Ų56.83%0.03131%0.309CS..  trans-90.8156.6173.3-71.2-102.9000111.1R119 W121 V129 V133 Y155 I158 S347 L349R119-Y131 PolarHBondContact O-N 2.67Å; W121-Y131 HydrophobicContact CB-CD2 4.03Å; W121-Y131 HydrophobicContact CB-CE2 3.73Å; W121-Y131 AromaticContact CD1-CD2 3.99Å; W121-Y131 HydrophobicContact CG-CD2 4.43Å; V129-Y131 HydrophobicContact CG2-CD2 4.36Å; V129-Y131 HydrophobicContact CG2-CE2 3.71Å; Y131-V133 PolarHBondContact O-N 3.48Å; Y131-Y155 HydrophobicContact CD1-CD2 4.13Å; Y131-Y155 HydrophobicContact CD1-CE2 4.03Å; Y131-Y155 HydrophobicContact CE1-CD2 4.41Å; Y131-Y155 HydrophobicContact CE1-CE2 4.2Å; Y131-I158 HydrophobicContact CD1-CD1 3.97Å; Y131-I158 HydrophobicContact CE1-CD1 4.29Å; Y131-S347 WeakPolarHBondContact CE1-O 3.27Å; Y131-S347 PolarHBondContact OH-O 3.17Å; Y131-L349 HydrophobicContact CD1-CD1 4.32Å; Y131-L349 HydrophobicContact CD2-CD1 4.33Å; Y131-L349 HydrophobicContact CE1-CD1 3.82Å; Y131-L349 HydrophobicContact CE1-CG 4.12Å; Y131-L349 HydrophobicContact CE2-CD1 3.82Å
132D98.2Very high97.9Very high33 Ų3356.5 Ų56.518%0.17631%0.31CS..  trans-81.442.2172.665.2-34000112.4S152 R153 Q154D132-S152 PolarHBondContact OD1-OG 2.94Å; D132-R153 PolarHBondContact O-N 2.84Å; D132-R153 WeakPolarHBondContact OD2-CB 3.41Å; D132-R153 PolarHBondContact OD2-N 2.79Å; D132-Q154 WeakPolarHBondContact OD1-CG 3.49Å; D132-Q154 PolarHBondContact OD1-NE2 3.32Å; D132-Q154 WeakPolarHBondContact OD2-CB 3.46Å; D132-Q154 WeakPolarHBondContact OD2-CG 3.29Å; D132-Q154 PolarHBondContact OD2-N 3.11Å
133V98.3Very high97.8Very high1 Ų157 Ų571%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-74.1133.7177.8178.80000110.2V117 R119 Y131 L150 H151V117-V133 HydrophobicContact CG1-CB 4.34Å; V117-V133 HydrophobicContact CG1-CG1 3.49Å; V117-V133 VanDerWaalsContact CG1-CG1 3.49Å; R119-V133 HydrophobicContact CG-CB 4.27Å; R119-V133 PolarHBondContact NH1-O 3Å; Y131-V133 PolarHBondContact O-N 3.48Å; V133-L150 HydrophobicContact CG1-CB 3.89Å; V133-L150 HydrophobicContact CG2-CB 4.17Å; V133-L150 HydrophobicContact CG2-CD1 4.49Å; V133-H151 VanDerWaalsContact CA-O 3.23Å; V133-H151 WeakPolarHBondContact CA-O 2.99Å; V133-H151 WeakPolarHBondContact CG1-O 3.32Å
134D97.7Very high97.7Very high64 Ų6461.1 Ų61.134%0.34234%0.337SS..EExtended strand (participates in β ladder)trans-125.3-9.6175.857.68.3000114.8H151 R153D134-H151 PolarHBondContact N-O 2.51Å; D134-H151 VanDerWaalsContact N-O 3.09Å; D134-H151 IonicContact OD1-CD2 2.65Å; D134-H151 PolarHBondContact OD1-CD2 3.5Å; D134-H151 VanDerWaalsContact OD1-CD2 3.26Å; D134-H151 IonicContact OD1-CG 3.9Å; D134-R153 WeakPolarHBondContact OD2-CG 3.34Å; D134-R153 IonicContact OD2-CZ 2.88Å; D134-R153 IonicContact OD2-NE 3.97Å; D134-R153 PolarHBondContact OD2-NE 3.36Å; D134-R153 IonicContact OD2-NH2 2.62Å; D134-R153 PolarHBondContact OD2-NH2 3.03Å
135E98.3Very high97.8Very high109 Ų10959.5 Ų59.551%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-145141.1177.8-172.8173.5-167.200112.6V137 L150 H151E135-V137 HydrophobicContact CG-CG2 4.25Å; E135-L150 WeakPolarHBondContact O-CA 3.41Å; E135-H151 HydrophobicContact CB-CB 3.95Å; E135-H151 PolarHBondContact O-N 3.18Å
136V98.4Very high97.8Very high42 Ų4258.7 Ų58.726%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-90.4102161.3-179.60000106.7V117 E139 L150V117-V136 HydrophobicContact CG1-CG2 4.43Å; V117-V136 HydrophobicContact CG2-CG2 4.31Å; V136-E139 HydrophobicContact CG1-CB 3.92Å; V136-L150 HydrophobicContact CB-CD2 4.26Å; V136-L150 HydrophobicContact CG1-CD2 4.19Å; V136-L150 HydrophobicContact CG2-CD2 3.88Å
137V98.4Very high98Very high31 Ų3155.8 Ų55.819%0.18829%0.287CS..EExtended strand (participates in β ladder)trans-77.2-37.4-174.6-179.90000110.9E135 I149 H151 Y229E135-V137 HydrophobicContact CG-CG2 4.25Å; V137-I149 WeakPolarHBondContact CA-O 3.35Å; V137-I149 HydrophobicContact CB-CB 4.46Å; V137-I149 HydrophobicContact CB-CG2 4.28Å; V137-I149 WeakPolarHBondContact CB-O 3.22Å; V137-I149 PolarHBondContact N-O 3.19Å; V137-H151 HydrophobicContact CG2-CB 3.73Å; V137-Y229 HydrophobicContact CG1-CD1 3.32Å; V137-Y229 HydrophobicContact CG1-CD2 4.38Å; V137-Y229 HydrophobicContact CG1-CE1 3.82Å; V137-Y229 HydrophobicContact CG1-CG 3.64Å
138Y98.4Very high98Very high31 Ų3152.9 Ų52.912%0.12228%0.277CS..EExtended strand (participates in β ladder)trans-150.2139.6179.4177.1-102.8000109.5E140 I147 K148 I149 Y229Y138-E140 HydrophobicContact CE1-CB 4.05Å; Y138-E140 HydrophobicContact CE2-CB 4.15Å; Y138-E140 PolarHBondContact OH-OE2 2.82Å; Y138-I147 HydrophobicContact CD1-CG2 4.09Å; Y138-I147 HydrophobicContact CE1-CB 4.07Å; Y138-I147 HydrophobicContact CE1-CG2 3.69Å; Y138-K148 CarbonylContact O-C 3.54Å; Y138-K148 WeakPolarHBondContact O-CA 3.48Å; Y138-I149 HydrophobicContact CD1-CD1 4.28Å; Y138-I149 HydrophobicContact CD1-CG1 4.24Å; Y138-I149 PolarHBondContact N-O 3.09Å; Y138-I149 VanDerWaalsContact N-O 3.15Å; Y138-I149 PolarHBondContact O-N 2.72Å; Y138-Y229 HydrophobicContact CD2-CD2 4.36Å; Y138-Y229 AromaticContact CD2-CE2 3.74Å; Y138-Y229 HydrophobicContact CD2-CE2 3.74Å; Y138-Y229 HydrophobicContact CG-CD2 4.19Å; Y138-Y229 AromaticContact CG-CE2 3.99Å; Y138-Y229 HydrophobicContact CG-CE2 3.99Å
139E98.1Very high98Very high114 Ų11447.5 Ų47.553%0.53325%0.249SC..EExtended strand (participates in β ladder)trans-150120.9172.2-178.5172.1-161.400109.1V136 I147 K148V136-E139 HydrophobicContact CG1-CB 3.92Å; E139-I147 VanDerWaalsContact CA-O 3.29Å; E139-I147 WeakPolarHBondContact CA-O 3.21Å; E139-K148 HydrophobicContact CB-CG 4.34Å; E139-K148 HydrophobicContact CG-CG 3.99Å; E139-K148 WeakPolarHBondContact OE1-CE 3.46Å; E139-K148 IonicContact OE1-NZ 2.84Å; E139-K148 PolarHBondContact OE1-NZ 2.66Å
140E97.4Very high98Very high77 Ų7746.6 Ų46.636%0.3624%0.243SC..EExtended strand (participates in β ladder)trans-153.7142178.8-168.3165.9170.300111Y138 I147 K221Y138-E140 HydrophobicContact CE1-CB 4.05Å; Y138-E140 HydrophobicContact CE2-CB 4.15Å; Y138-E140 PolarHBondContact OH-OE2 2.82Å; E140-I147 PolarHBondContact N-O 2.84Å; E140-I147 PolarHBondContact O-N 3.18Å; E140-K221 HydrophobicContact CG-CD 4.02Å; E140-K221 WeakPolarHBondContact OE1-CD 3.05Å; E140-K221 VanDerWaalsContact OE1-CE 3.23Å; E140-K221 WeakPolarHBondContact OE1-CE 3.25Å; E140-K221 IonicContact OE1-NZ 3.04Å; E140-K221 PolarHBondContact OE1-NZ 2.63Å
141D98.3Very high98.1Very high111 Ų11146 Ų4659%0.59424%0.24SC*.EExtended strand (participates in β ladder)trans-88.2125.6167.7-63.5-46.8000109.6N146 K221D141-N146 WeakPolarHBondContact OD1-CB 3.49Å; D141-N146 PolarHBondContact OD1-ND2 3.13Å; D141-K221 PolarHBondContact O-NZ 2.76Å
142S97.8Very high98.1Very high20 Ų2045.6 Ų45.614%0.1424%0.239CC..  trans-89.5-173.9170.485.10000111Y144 Q145 D219S142-Y144 PolarHBondContact O-N 2.94Å; S142-Y144 PolarHBondContact OG-N 3.28Å; S142-Q145 PolarHBondContact N-O 3.38Å; S142-Q145 PolarHBondContact OG-N 2.88Å; S142-Q145 VanDerWaalsContact OG-N 3.09Å; S142-Q145 PolarHBondContact OG-O 2.97Å; S142-D219 WeakPolarHBondContact CB-OD1 3.29Å; S142-D219 WeakPolarHBondContact CB-OD2 3.17Å; S142-D219 PolarHBondContact OG-OD2 2.97Å
143A96.5Very high98.1Very high94 Ų9452.8 Ų52.878%0.77726%0.263SS*.SBendtrans-70.4-10.1169.800000112.7
144Y95.8Very high98.1Very high97 Ų9758.3 Ų58.338%0.3829%0.289SS..SBendtrans-119.3-40.2-168.6-52.1-74.6000113.3S142 I218 D219 I279 T281S142-Y144 PolarHBondContact O-N 2.94Å; S142-Y144 PolarHBondContact OG-N 3.28Å; Y144-I218 HydrophobicContact CD1-CD1 3.93Å; Y144-I218 HydrophobicContact CD1-CG1 4.2Å; Y144-I218 HydrophobicContact CE1-CD1 3.62Å; Y144-I218 HydrophobicContact CE1-CG1 3.71Å; Y144-I218 HydrophobicContact CE2-CG1 4.27Å; Y144-I218 VanDerWaalsContact CE2-O 3.28Å; Y144-I218 WeakPolarHBondContact CE2-O 3.29Å; Y144-D219 HydrophobicContact CD2-CB 3.86Å; Y144-D219 HydrophobicContact CE2-CB 4.43Å; Y144-I279 HydrophobicContact CD1-CG2 4.04Å; Y144-T281 HydrophobicContact CE1-CG2 4.32Å
145Q97Very high98.1Very high11 Ų1156.7 Ų56.75%0.05128%0.278CS..  trans-158.9162.5-17165.2-156.3-45.800112S142 I147 L161 D162 D219S142-Q145 PolarHBondContact N-O 3.38Å; S142-Q145 PolarHBondContact OG-N 2.88Å; S142-Q145 VanDerWaalsContact OG-N 3.09Å; S142-Q145 PolarHBondContact OG-O 2.97Å; Q145-I147 HydrophobicContact CG-CG1 3.97Å; Q145-L161 HydrophobicContact CG-CD2 4.45Å; Q145-D162 WeakPolarHBondContact CA-OD1 3.28Å; Q145-D162 WeakPolarHBondContact CB-OD2 3.26Å; Q145-D219 PolarHBondContact NE2-OD2 3Å
146N98.2Very high98.1Very high28 Ų2851.6 Ų51.615%0.1526%0.256CS..EExtended strand (participates in β ladder)trans-77.7131.7164.4178.3-100.2000110D141 K148 L161 D162D141-N146 WeakPolarHBondContact OD1-CB 3.49Å; D141-N146 PolarHBondContact OD1-ND2 3.13Å; N146-K148 VanDerWaalsContact CG-NZ 3.35Å; N146-K148 PolarHBondContact ND2-NZ 2.81Å; N146-K148 PolarHBondContact OD1-NZ 3.04Å; N146-L161 WeakPolarHBondContact O-CA 3.31Å; N146-D162 PolarHBondContact N-OD1 2.93Å; N146-D162 PolarHBondContact O-N 3.09Å
147I98.8Very high98.2Very high0 Ų050.5 Ų50.50%025%0.248CC..EExtended strand (participates in β ladder)trans-118.5126.6-178.6-51.8164.4000108.8Y138 E139 E140 Q145 L159 L161 K221 V222Y138-I147 HydrophobicContact CD1-CG2 4.09Å; Y138-I147 HydrophobicContact CE1-CB 4.07Å; Y138-I147 HydrophobicContact CE1-CG2 3.69Å; E139-I147 VanDerWaalsContact CA-O 3.29Å; E139-I147 WeakPolarHBondContact CA-O 3.21Å; E140-I147 PolarHBondContact N-O 2.84Å; E140-I147 PolarHBondContact O-N 3.18Å; Q145-I147 HydrophobicContact CG-CG1 3.97Å; I147-L159 HydrophobicContact CG2-CD1 4.03Å; I147-L161 HydrophobicContact CB-CD2 4.2Å; I147-L161 HydrophobicContact CG1-CD2 3.96Å; I147-L161 HydrophobicContact CG2-CD2 3.87Å; I147-K221 HydrophobicContact CD1-CB 3.51Å; I147-V222 HydrophobicContact CD1-CG2 3.63Å; I147-V222 HydrophobicContact CG1-CG2 3.96Å
148K98.7Very high98.2Very high31 Ų3149.2 Ų49.214%0.13524%0.24CC..EExtended strand (participates in β ladder)trans-126.7141173.6-77.1169.6172.460.40110.5W121 Y138 E139 N146 L150 V160W121-K148 HydrophobicContact CH2-CD 3.65Å; W121-K148 HydrophobicContact CZ2-CD 4.12Å; Y138-K148 CarbonylContact O-C 3.54Å; Y138-K148 WeakPolarHBondContact O-CA 3.48Å; E139-K148 HydrophobicContact CB-CG 4.34Å; E139-K148 HydrophobicContact CG-CG 3.99Å; E139-K148 WeakPolarHBondContact OE1-CE 3.46Å; E139-K148 IonicContact OE1-NZ 2.84Å; E139-K148 PolarHBondContact OE1-NZ 2.66Å; N146-K148 VanDerWaalsContact CG-NZ 3.35Å; N146-K148 PolarHBondContact ND2-NZ 2.81Å; N146-K148 PolarHBondContact OD1-NZ 3.04Å; K148-L150 HydrophobicContact CB-CD2 4.38Å; K148-L150 HydrophobicContact CB-CG 4.46Å; K148-V160 HydrophobicContact CB-CB 4.06Å; K148-V160 PolarHBondContact N-O 2.92Å; K148-V160 PolarHBondContact O-N 3.3Å
149I98.8Very high98.2Very high0 Ų047.9 Ų47.90%024%0.235CC..EExtended strand (participates in β ladder)trans-122.2120162.9-57175.2000107.6V137 Y138 N157 I158 L159 Y229 M230V137-I149 WeakPolarHBondContact CA-O 3.35Å; V137-I149 HydrophobicContact CB-CB 4.46Å; V137-I149 HydrophobicContact CB-CG2 4.28Å; V137-I149 WeakPolarHBondContact CB-O 3.22Å; V137-I149 PolarHBondContact N-O 3.19Å; Y138-I149 HydrophobicContact CD1-CD1 4.28Å; Y138-I149 HydrophobicContact CD1-CG1 4.24Å; Y138-I149 PolarHBondContact N-O 3.09Å; Y138-I149 VanDerWaalsContact N-O 3.15Å; Y138-I149 PolarHBondContact O-N 2.72Å; I149-N157 HydrophobicContact CG2-CB 3.69Å; I149-I158 CarbonylContact C-O 3.55Å; I149-I158 VanDerWaalsContact CA-O 3.28Å; I149-I158 WeakPolarHBondContact CA-O 3.39Å; I149-L159 HydrophobicContact CD1-CD1 4.5Å; I149-L159 HydrophobicContact CG1-CD1 4Å; I149-Y229 HydrophobicContact CD1-CD2 4.06Å; I149-Y229 HydrophobicContact CD1-CG 4.41Å; I149-M230 HydrophobicContact CD1-CG 4.18Å; I149-M230 HydrophobicContact CG2-SD 4.15Å
150L98.8Very high98.2Very high3 Ų342.5 Ų42.52%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-113.9133.4-174.7-54.9178.6000109.5W121 V133 E135 V136 K148 N157 I158 V160W121-L150 VanDerWaalsContact CE2-CD1 3.44Å; W121-L150 HydrophobicContact CZ2-CD1 3.49Å; W121-L150 VanDerWaalsContact CZ2-CD1 3.49Å; V133-L150 HydrophobicContact CG1-CB 3.89Å; V133-L150 HydrophobicContact CG2-CB 4.17Å; V133-L150 HydrophobicContact CG2-CD1 4.49Å; E135-L150 WeakPolarHBondContact O-CA 3.41Å; V136-L150 HydrophobicContact CB-CD2 4.26Å; V136-L150 HydrophobicContact CG1-CD2 4.19Å; V136-L150 HydrophobicContact CG2-CD2 3.88Å; K148-L150 HydrophobicContact CB-CD2 4.38Å; K148-L150 HydrophobicContact CB-CG 4.46Å; L150-N157 CarbonylContact O-C 3.57Å; L150-N157 WeakPolarHBondContact O-CA 3.26Å; L150-I158 PolarHBondContact N-O 2.9Å; L150-I158 PolarHBondContact O-N 2.73Å; L150-V160 HydrophobicContact CD1-CG2 4.11Å
151H98.8Very high98.3Very high60 Ų6039.5 Ų39.528%0.27820%0.196SC..EExtended strand (participates in β ladder)trans-83.4119.3174.4-167.761.5000110.2V133 D134 E135 V137 N157V133-H151 VanDerWaalsContact CA-O 3.23Å; V133-H151 WeakPolarHBondContact CA-O 2.99Å; V133-H151 WeakPolarHBondContact CG1-O 3.32Å; D134-H151 PolarHBondContact N-O 2.51Å; D134-H151 VanDerWaalsContact N-O 3.09Å; D134-H151 IonicContact OD1-CD2 2.65Å; D134-H151 PolarHBondContact OD1-CD2 3.5Å; D134-H151 VanDerWaalsContact OD1-CD2 3.26Å; D134-H151 IonicContact OD1-CG 3.9Å; E135-H151 HydrophobicContact CB-CB 3.95Å; E135-H151 PolarHBondContact O-N 3.18Å; V137-H151 HydrophobicContact CG2-CB 3.73Å; H151-N157 PolarHBondContact ND1-OD1 2.88Å
152S98.8Very high98.2Very high0 Ų039.3 Ų39.30%020%0.196CC..EExtended strand (participates in β ladder)trans-106.6138.8166.51570000109.7D132 Q154 Y155 G156D132-S152 PolarHBondContact OD1-OG 2.94Å; S152-Q154 VanDerWaalsContact C-N 3.34Å; S152-Q154 PolarHBondContact O-N 3.46Å; S152-Q154 PolarHBondContact OG-N 2.92Å; S152-Y155 WeakPolarHBondContact OG-CD2 3.43Å; S152-Y155 PolarHBondContact OG-N 3.36Å; S152-G156 PolarHBondContact N-O 3.45Å; S152-G156 CarbonylContact O-C 3.59Å; S152-G156 VanDerWaalsContact O-CA 3.26Å; S152-G156 WeakPolarHBondContact O-CA 3.41Å; S152-G156 PolarHBondContact O-N 2.92Å
153R98.3Very high98.1Very high184 Ų18440 Ų4069%0.69421%0.205SC*.THydrogen-bonded Turntrans-65.8-37.7-178.9-59.3175.8177.4169.92112.4D132 D134D132-R153 PolarHBondContact O-N 2.84Å; D132-R153 WeakPolarHBondContact OD2-CB 3.41Å; D132-R153 PolarHBondContact OD2-N 2.79Å; D134-R153 WeakPolarHBondContact OD2-CG 3.34Å; D134-R153 IonicContact OD2-CZ 2.88Å; D134-R153 IonicContact OD2-NE 3.97Å; D134-R153 PolarHBondContact OD2-NE 3.36Å; D134-R153 IonicContact OD2-NH2 2.62Å; D134-R153 PolarHBondContact OD2-NH2 3.03Å
154Q98.1Very high98.1Very high117 Ų11738.7 Ų38.755%0.54719%0.185SC..THydrogen-bonded Turntrans-89.6-33.8-179.174.5-169-46.400113.4D132 S152D132-Q154 WeakPolarHBondContact OD1-CG 3.49Å; D132-Q154 PolarHBondContact OD1-NE2 3.32Å; D132-Q154 WeakPolarHBondContact OD2-CB 3.46Å; D132-Q154 WeakPolarHBondContact OD2-CG 3.29Å; D132-Q154 PolarHBondContact OD2-N 3.11Å; S152-Q154 VanDerWaalsContact C-N 3.34Å; S152-Q154 PolarHBondContact O-N 3.46Å; S152-Q154 PolarHBondContact OG-N 2.92Å
155Y98.7Very high98.2Very high30 Ų3034.8 Ų34.812%0.11817%0.171CC..THydrogen-bonded Turntrans-98.5-10.9-174.4-57.1-55.7000113.8Y131 S152 I158 S170 P346 L349Y131-Y155 HydrophobicContact CD1-CD2 4.13Å; Y131-Y155 HydrophobicContact CD1-CE2 4.03Å; Y131-Y155 HydrophobicContact CE1-CD2 4.41Å; Y131-Y155 HydrophobicContact CE1-CE2 4.2Å; S152-Y155 WeakPolarHBondContact OG-CD2 3.43Å; S152-Y155 PolarHBondContact OG-N 3.36Å; Y155-I158 HydrophobicContact CD2-CD1 4.19Å; Y155-S170 WeakPolarHBondContact CB-OG 3.49Å; Y155-S170 WeakPolarHBondContact CD1-OG 3.5Å; Y155-S170 PolarHBondContact O-N 3.01Å; Y155-P346 HydrophobicContact CD1-CB 4.16Å; Y155-P346 HydrophobicContact CE1-CB 3.95Å; Y155-P346 VanDerWaalsContact CE1-O 3.3Å; Y155-P346 WeakPolarHBondContact CE1-O 3.27Å; Y155-P346 PolarHBondContact OH-O 3.39Å; Y155-L349 VanDerWaalsContact OH-CD2 3.25Å; Y155-L349 WeakPolarHBondContact OH-CD2 3.39Å
156G98.7Very high98.3Very high3 Ų335.8 Ų35.83%0.03118%0.177CC..EExtended strand (participates in β ladder)trans74.3-150.1-169.100000110.8S152S152-G156 PolarHBondContact N-O 3.45Å; S152-G156 CarbonylContact O-C 3.59Å; S152-G156 VanDerWaalsContact O-CA 3.26Å; S152-G156 WeakPolarHBondContact O-CA 3.41Å; S152-G156 PolarHBondContact O-N 2.92Å
157N98.9Very high98.3Very high19 Ų1934.6 Ų34.610%0.10217%0.171CC..EExtended strand (participates in β ladder)trans-74.2135.1177.8-72.7-6.3000111.2I149 L150 H151 A168 E169 Y229 M230I149-N157 HydrophobicContact CG2-CB 3.69Å; L150-N157 CarbonylContact O-C 3.57Å; L150-N157 WeakPolarHBondContact O-CA 3.26Å; H151-N157 PolarHBondContact ND1-OD1 2.88Å; N157-A168 CarbonylContact O-C 3.47Å; N157-A168 VanDerWaalsContact O-CA 3.26Å; N157-A168 WeakPolarHBondContact O-CA 3.28Å; N157-E169 HydrophobicContact CB-CG 4.14Å; N157-E169 PolarHBondContact N-OE2 2.6Å; N157-E169 VanDerWaalsContact N-OE2 3.13Å; N157-E169 PolarHBondContact O-N 2.92Å; N157-Y229 PolarHBondContact ND2-O 2.89Å; N157-M230 HydrophobicContact CB-SD 3.58Å; N157-M230 VanDerWaalsContact CB-SD 3.58Å; N157-M230 WeakPolarHBondContact O-CE 3.18Å; N157-M230 VanDerWaalsContact O-SD 3.4Å
158I98.9Very high98.3Very high3 Ų334.6 Ų34.62%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-115.7119.4-178.6-48.7-178.2000108.5Y131 I149 L150 Y155 V160 V165 A168Y131-I158 HydrophobicContact CD1-CD1 3.97Å; Y131-I158 HydrophobicContact CE1-CD1 4.29Å; I149-I158 CarbonylContact C-O 3.55Å; I149-I158 VanDerWaalsContact CA-O 3.28Å; I149-I158 WeakPolarHBondContact CA-O 3.39Å; L150-I158 PolarHBondContact N-O 2.9Å; L150-I158 PolarHBondContact O-N 2.73Å; Y155-I158 HydrophobicContact CD2-CD1 4.19Å; I158-V160 HydrophobicContact CG2-CG2 4.09Å; I158-V165 HydrophobicContact CG2-CG1 3.75Å; I158-A168 HydrophobicContact CB-CB 4.3Å; I158-A168 HydrophobicContact CG1-CB 3.83Å; I158-A168 HydrophobicContact CG2-CB 4.32Å
159L98.9Very high98.3Very high4 Ų434.8 Ų34.82%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-79.1126.4170.2179.667.2000109.8I147 I149 L161 N166 L167 D198 V222 M230I147-L159 HydrophobicContact CG2-CD1 4.03Å; I149-L159 HydrophobicContact CD1-CD1 4.5Å; I149-L159 HydrophobicContact CG1-CD1 4Å; L159-L161 HydrophobicContact CD1-CD2 3.95Å; L159-L161 HydrophobicContact CD1-CG 4.5Å; L159-L161 HydrophobicContact CD2-CD1 4.45Å; L159-L161 HydrophobicContact CD2-CG 4.5Å; L159-L161 HydrophobicContact CG-CD2 4.26Å; L159-L161 HydrophobicContact CG-CG 4.27Å; L159-N166 HydrophobicContact CD2-CB 4.31Å; L159-N166 HydrophobicContact CG-CB 4.42Å; L159-N166 PolarHBondContact O-N 2.78Å; L159-L167 WeakPolarHBondContact CB-O 2.93Å; L159-L167 PolarHBondContact N-O 3.43Å; L159-L167 PolarHBondContact O-N 2.58Å; L159-D198 HydrophobicContact CD2-CB 4.19Å; L159-V222 HydrophobicContact CD2-CG1 4.33Å; L159-M230 HydrophobicContact CB-CE 4.27Å
160V98.6Very high98.3Very high1 Ų136.6 Ų36.61%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-127125.3177.5179.80000108.8W121 K148 L150 I158 D164 V165W121-V160 HydrophobicContact CE3-CG1 4.01Å; W121-V160 HydrophobicContact CH2-CG1 4.23Å; W121-V160 HydrophobicContact CZ3-CG1 3.84Å; K148-V160 HydrophobicContact CB-CB 4.06Å; K148-V160 PolarHBondContact N-O 2.92Å; K148-V160 PolarHBondContact O-N 3.3Å; L150-V160 HydrophobicContact CD1-CG2 4.11Å; I158-V160 HydrophobicContact CG2-CG2 4.09Å; V160-D164 CarbonylContact C-O 3.57Å; V160-D164 WeakPolarHBondContact CA-O 3.08Å; V160-D164 VanDerWaalsContact CG1-O 3.31Å; V160-D164 WeakPolarHBondContact CG1-O 3.41Å; V160-V165 HydrophobicContact CG2-CG2 4.21Å
161L98.3Very high98.3Very high13 Ų1336.6 Ų36.67%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-119.3124.2-179.4-57.1178.6000110Q145 N146 I147 L159 G163 D164 N166 V222 T275Q145-L161 HydrophobicContact CG-CD2 4.45Å; N146-L161 WeakPolarHBondContact O-CA 3.31Å; I147-L161 HydrophobicContact CB-CD2 4.2Å; I147-L161 HydrophobicContact CG1-CD2 3.96Å; I147-L161 HydrophobicContact CG2-CD2 3.87Å; L159-L161 HydrophobicContact CD1-CD2 3.95Å; L159-L161 HydrophobicContact CD1-CG 4.5Å; L159-L161 HydrophobicContact CD2-CD1 4.45Å; L159-L161 HydrophobicContact CD2-CG 4.5Å; L159-L161 HydrophobicContact CG-CD2 4.26Å; L159-L161 HydrophobicContact CG-CG 4.27Å; L161-G163 PolarHBondContact O-N 3.18Å; L161-D164 PolarHBondContact N-O 3.3Å; L161-D164 WeakPolarHBondContact O-CB 3.44Å; L161-D164 PolarHBondContact O-N 3.37Å; L161-N166 VanDerWaalsContact CB-OD1 3.24Å; L161-N166 WeakPolarHBondContact CB-OD1 3.44Å; L161-N166 VanDerWaalsContact CG-OD1 3.31Å; L161-N166 WeakPolarHBondContact CG-OD1 3.04Å; L161-N166 PolarHBondContact N-OD1 3.16Å; L161-V222 HydrophobicContact CD2-CG2 3.96Å; L161-T275 HydrophobicContact CD1-CG2 3.85Å
162D96.8Very high98.2Very high108 Ų10837.7 Ų37.758%0.57819%0.192SC*.THydrogen-bonded Turntrans48.628.8-174.4-74.2-24.7000114.5Q145 N146Q145-D162 WeakPolarHBondContact CA-OD1 3.28Å; Q145-D162 WeakPolarHBondContact CB-OD2 3.26Å; N146-D162 PolarHBondContact N-OD1 2.93Å; N146-D162 PolarHBondContact O-N 3.09Å
163G95.1Very high98.2Very high33 Ų3339 Ų3934%0.3420%0.203SC..THydrogen-bonded Turntrans85.33.8-179.300000115.7L161L161-G163 PolarHBondContact O-N 3.18Å
164D96.9Very high98.3Very high67 Ų6730.8 Ų30.836%0.35817%0.172SC..EExtended strand (participates in β ladder)trans-93.4138.5171.5-163.81.9000110.9V160 L161 N166V160-D164 CarbonylContact C-O 3.57Å; V160-D164 WeakPolarHBondContact CA-O 3.08Å; V160-D164 VanDerWaalsContact CG1-O 3.31Å; V160-D164 WeakPolarHBondContact CG1-O 3.41Å; L161-D164 PolarHBondContact N-O 3.3Å; L161-D164 WeakPolarHBondContact O-CB 3.44Å; L161-D164 PolarHBondContact O-N 3.37Å; D164-N166 PolarHBondContact O-N 2.81Å; D164-N166 PolarHBondContact O-OD1 3.41Å; D164-N166 VanDerWaalsContact O-OD1 3.09Å
165V98.3Very high98.3Very high15 Ų1525.6 Ų25.69%0.09115%0.149CC..EExtended strand (participates in β ladder)trans-83.1107.3179.6174.40000108.5W121 I158 V160 Y348W121-V165 HydrophobicContact CB-CG2 4.23Å; I158-V165 HydrophobicContact CG2-CG1 3.75Å; V160-V165 HydrophobicContact CG2-CG2 4.21Å; V165-Y348 HydrophobicContact CG1-CD1 4.26Å; V165-Y348 HydrophobicContact CG1-CE1 4.37Å; V165-Y348 WeakPolarHBondContact O-CE1 3.39Å
166N98.4Very high98.2Very high32 Ų3228.7 Ų28.717%0.17116%0.164CC..EExtended strand (participates in β ladder)trans-85.4-52.6-177.3-71.780.3000112.5L159 L161 D164 Y348L159-N166 HydrophobicContact CD2-CB 4.31Å; L159-N166 HydrophobicContact CG-CB 4.42Å; L159-N166 PolarHBondContact O-N 2.78Å; L161-N166 VanDerWaalsContact CB-OD1 3.24Å; L161-N166 WeakPolarHBondContact CB-OD1 3.44Å; L161-N166 VanDerWaalsContact CG-OD1 3.31Å; L161-N166 WeakPolarHBondContact CG-OD1 3.04Å; L161-N166 PolarHBondContact N-OD1 3.16Å; D164-N166 PolarHBondContact O-N 2.81Å; D164-N166 PolarHBondContact O-OD1 3.41Å; D164-N166 VanDerWaalsContact O-OD1 3.09Å; N166-Y348 WeakPolarHBondContact O-CE1 3.05Å; N166-Y348 PolarHBondContact O-OH 3.46Å
167L98.6Very high98.2Very high3 Ų328.6 Ų28.62%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-163.7138.3-175.1-165.274.4000111.8L159 D171 Y174 D198 M230 T233L159-L167 WeakPolarHBondContact CB-O 2.93Å; L159-L167 PolarHBondContact N-O 3.43Å; L159-L167 PolarHBondContact O-N 2.58Å; L167-D171 HydrophobicContact CD1-CB 3.56Å; L167-D171 HydrophobicContact CG-CB 4.2Å; L167-Y174 HydrophobicContact CD1-CD1 3.61Å; L167-Y174 HydrophobicContact CD1-CD2 4.42Å; L167-Y174 HydrophobicContact CD1-CE1 4.43Å; L167-Y174 HydrophobicContact CD1-CG 3.63Å; L167-D198 HydrophobicContact CD2-CB 4.09Å; L167-D198 WeakPolarHBondContact CD2-OD1 3.26Å; L167-M230 WeakPolarHBondContact O-CE 3.47Å; L167-T233 HydrophobicContact CD2-CG2 3.66Å
168A98.8Very high98.2Very high1 Ų127.8 Ų27.81%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-106162.4166.100000113.2N157 I158 S170 D171N157-A168 CarbonylContact O-C 3.47Å; N157-A168 VanDerWaalsContact O-CA 3.26Å; N157-A168 WeakPolarHBondContact O-CA 3.28Å; I158-A168 HydrophobicContact CB-CB 4.3Å; I158-A168 HydrophobicContact CG1-CB 3.83Å; I158-A168 HydrophobicContact CG2-CB 4.32Å; A168-S170 PolarHBondContact O-N 3.06Å; A168-S170 VanDerWaalsContact O-N 3.1Å; A168-D171 WeakPolarHBondContact CB-OD2 3.47Å; A168-D171 PolarHBondContact N-OD2 3.1Å; A168-D171 WeakPolarHBondContact O-CB 3.1Å; A168-D171 PolarHBondContact O-N 3.06Å
169E98.7Very high98.2Very high35 Ų3528.2 Ų28.216%0.16416%0.162CC..THydrogen-bonded Turntrans-59.5-19.2172.4-70.6-171127.600113.6N157 D171 M230 R232N157-E169 HydrophobicContact CB-CG 4.14Å; N157-E169 PolarHBondContact N-OE2 2.6Å; N157-E169 VanDerWaalsContact N-OE2 3.13Å; N157-E169 PolarHBondContact O-N 2.92Å; E169-D171 VanDerWaalsContact C-N 3.33Å; E169-M230 HydrophobicContact CG-CE 4.18Å; E169-M230 HydrophobicContact CG-SD 4.11Å; E169-R232 HydrophobicContact CB-CB 3.96Å; E169-R232 HydrophobicContact CG-CB 3.93Å; E169-R232 VanDerWaalsContact OE1-CB 3.27Å; E169-R232 WeakPolarHBondContact OE1-CB 3.31Å; E169-R232 VanDerWaalsContact OE1-CG 3.28Å; E169-R232 WeakPolarHBondContact OE1-CG 3.49Å; E169-R232 PolarHBondContact OE1-N 3.32Å; E169-R232 VanDerWaalsContact OE1-N 3.07Å; E169-R232 WeakPolarHBondContact OE2-CD 3.25Å; E169-R232 IonicContact OE2-NE 2.7Å
170S98.6Very high98.1Very high38 Ų3828 Ų2827%0.26616%0.161SC..THydrogen-bonded Turntrans-77.2-13.9172.655.40000114.8Y155 A168 L172Y155-S170 WeakPolarHBondContact CB-OG 3.49Å; Y155-S170 WeakPolarHBondContact CD1-OG 3.5Å; Y155-S170 PolarHBondContact O-N 3.01Å; A168-S170 PolarHBondContact O-N 3.06Å; A168-S170 VanDerWaalsContact O-N 3.1Å; S170-L172 VanDerWaalsContact C-N 3.3Å; S170-L172 PolarHBondContact O-N 2.9Å; S170-L172 VanDerWaalsContact O-N 3.1Å
171D98.6Very high98Very high2 Ų230.9 Ų30.91%0.01118%0.176CC..  trans-94.240.6-158.2-64.5-13.3000114L167 A168 E169 A173 Y174 V345 P346 S347L167-D171 HydrophobicContact CD1-CB 3.56Å; L167-D171 HydrophobicContact CG-CB 4.2Å; A168-D171 WeakPolarHBondContact CB-OD2 3.47Å; A168-D171 PolarHBondContact N-OD2 3.1Å; A168-D171 WeakPolarHBondContact O-CB 3.1Å; A168-D171 PolarHBondContact O-N 3.06Å; E169-D171 VanDerWaalsContact C-N 3.33Å; D171-A173 PolarHBondContact O-N 3.3Å; D171-Y174 VanDerWaalsContact O-CB 3.29Å; D171-Y174 WeakPolarHBondContact O-CB 3.39Å; D171-Y174 PolarHBondContact O-N 3.41Å; D171-V345 HydrophobicContact CB-CG1 3.77Å; D171-V345 VanDerWaalsContact CG-CG1 3.48Å; D171-P346 WeakPolarHBondContact OD1-CD 3.44Å; D171-S347 PolarHBondContact OD1-N 2.95Å; D171-S347 WeakPolarHBondContact OD2-CB 3.39Å; D171-S347 PolarHBondContact OD2-OG 2.84Å
172L98.2Very high97.8Very high83 Ų8333.8 Ų33.844%0.43521%0.209SC..Hα-helixtrans-54.1-28.5172.5-177.362.1000112.2S170 Y174 T175 Q176 E204S170-L172 VanDerWaalsContact C-N 3.3Å; S170-L172 PolarHBondContact O-N 2.9Å; S170-L172 VanDerWaalsContact O-N 3.1Å; L172-Y174 VanDerWaalsContact C-N 3.29Å; L172-Y174 PolarHBondContact O-N 3.1Å; L172-T175 PolarHBondContact O-N 3.02Å; L172-Q176 HydrophobicContact CD1-CG 4.34Å; L172-Q176 HydrophobicContact CG-CG 4.15Å; L172-Q176 WeakPolarHBondContact O-CB 3.08Å; L172-Q176 VanDerWaalsContact O-CG 3.26Å; L172-Q176 WeakPolarHBondContact O-CG 3.24Å; L172-Q176 PolarHBondContact O-N 2.86Å; L172-E204 HydrophobicContact CD1-CG 4.48Å
173A98.6Very high97.8Very high28 Ų2834.7 Ų34.723%0.23120%0.204CC..Hα-helixtrans-59.8-35.8174.200000113.1D171 A177 V343D171-A173 PolarHBondContact O-N 3.3Å; A173-A177 VanDerWaalsContact O-CB 3.29Å; A173-A177 WeakPolarHBondContact O-CB 3.24Å; A173-A177 PolarHBondContact O-N 3.09Å; A173-V343 HydrophobicContact CB-CG1 4.39Å
174Y98.8Very high97.9Very high12 Ų1234.2 Ų34.25%0.04719%0.193CC..Hα-helixtrans-63.7-54.2173.6179-83.6000110.2L167 D171 L172 Q176 A177 I178 D273 Q312 V345 Y348 F354L167-Y174 HydrophobicContact CD1-CD1 3.61Å; L167-Y174 HydrophobicContact CD1-CD2 4.42Å; L167-Y174 HydrophobicContact CD1-CE1 4.43Å; L167-Y174 HydrophobicContact CD1-CG 3.63Å; D171-Y174 VanDerWaalsContact O-CB 3.29Å; D171-Y174 WeakPolarHBondContact O-CB 3.39Å; D171-Y174 PolarHBondContact O-N 3.41Å; L172-Y174 VanDerWaalsContact C-N 3.29Å; L172-Y174 PolarHBondContact O-N 3.1Å; Y174-Q176 VanDerWaalsContact C-N 3.29Å; Y174-Q176 PolarHBondContact O-N 3.12Å; Y174-A177 PolarHBondContact O-N 2.88Å; Y174-A177 VanDerWaalsContact O-N 3.12Å; Y174-I178 HydrophobicContact CD1-CG2 4.33Å; Y174-I178 HydrophobicContact CE1-CD1 4.02Å; Y174-I178 HydrophobicContact CE1-CG2 4.15Å; Y174-I178 WeakPolarHBondContact O-CG2 3.33Å; Y174-I178 PolarHBondContact O-N 2.82Å; Y174-D273 VanDerWaalsContact CE1-OD1 3.31Å; Y174-D273 WeakPolarHBondContact CE1-OD1 3.46Å; Y174-D273 VanDerWaalsContact CZ-OD1 3.3Å; Y174-D273 PolarHBondContact OH-OD1 2.8Å; Y174-Q312 HydrophobicContact CE2-CB 3.98Å; Y174-Q312 HydrophobicContact CE2-CG 4.49Å; Y174-Q312 WeakPolarHBondContact OH-CG 3.12Å; Y174-V345 HydrophobicContact CD2-CG2 4.27Å; Y174-Y348 HydrophobicContact CD2-CE2 4.31Å; Y174-Y348 AromaticContact CD2-CZ 3.93Å; Y174-Y348 WeakPolarHBondContact CD2-OH 3.11Å; Y174-Y348 HydrophobicContact CE2-CE2 4.49Å; Y174-Y348 WeakPolarHBondContact CE2-OH 3.28Å; Y174-F354 AromaticContact CD2-CE1 3.92Å; Y174-F354 HydrophobicContact CD2-CE1 3.92Å; Y174-F354 AromaticContact CD2-CZ 3.48Å; Y174-F354 HydrophobicContact CD2-CZ 3.48Å; Y174-F354 VanDerWaalsContact CD2-CZ 3.48Å; Y174-F354 AromaticContact CE2-CE1 3.82Å; Y174-F354 HydrophobicContact CE2-CE1 3.82Å; Y174-F354 AromaticContact CE2-CZ 3.74Å; Y174-F354 HydrophobicContact CE2-CZ 3.74Å; Y174-F354 HydrophobicContact CG-CE1 4.42Å; Y174-F354 HydrophobicContact CG-CZ 4.13Å
175T98.4Very high97.9Very high7 Ų736 Ų364%0.04320%0.202CC..Hα-helixtrans-60.2-39.3-179.1-47.80000111.7L172 T179 I201 E204L172-T175 PolarHBondContact O-N 3.02Å; T175-T179 WeakPolarHBondContact O-CB 3.31Å; T175-T179 VanDerWaalsContact O-CG2 3.27Å; T175-T179 WeakPolarHBondContact O-CG2 3.39Å; T175-T179 PolarHBondContact O-N 3.27Å; T175-T179 PolarHBondContact O-OG1 3.22Å; T175-I201 HydrophobicContact CG2-CG1 4.14Å; T175-E204 HydrophobicContact CG2-CB 4.24Å; T175-E204 HydrophobicContact CG2-CG 3.84Å
176Q98.3Very high98Very high96 Ų9635.4 Ų35.445%0.44920%0.199SC..Hα-helixtrans-64.7-45.6174.6-75.2176.1-15.900112L172 Y174 T179 G180 N181L172-Q176 HydrophobicContact CD1-CG 4.34Å; L172-Q176 HydrophobicContact CG-CG 4.15Å; L172-Q176 WeakPolarHBondContact O-CB 3.08Å; L172-Q176 VanDerWaalsContact O-CG 3.26Å; L172-Q176 WeakPolarHBondContact O-CG 3.24Å; L172-Q176 PolarHBondContact O-N 2.86Å; Y174-Q176 VanDerWaalsContact C-N 3.29Å; Y174-Q176 PolarHBondContact O-N 3.12Å; Q176-T179 CarbonylContact O-C 3.56Å; Q176-T179 PolarHBondContact O-N 2.83Å; Q176-T179 PolarHBondContact O-OG1 2.88Å; Q176-G180 PolarHBondContact O-N 2.95Å; Q176-N181 VanDerWaalsContact O-CA 3.27Å; Q176-N181 WeakPolarHBondContact O-CA 3.33Å; Q176-N181 PolarHBondContact O-N 3.31Å
177A98.6Very high98Very high1 Ų136.2 Ų36.21%0.00821%0.21CC..Hα-helixtrans-62.4-49.9179.600000112.3A173 Y174 T179 G180 N181 V343 F354A173-A177 VanDerWaalsContact O-CB 3.29Å; A173-A177 WeakPolarHBondContact O-CB 3.24Å; A173-A177 PolarHBondContact O-N 3.09Å; Y174-A177 PolarHBondContact O-N 2.88Å; Y174-A177 VanDerWaalsContact O-N 3.12Å; A177-T179 PolarHBondContact O-N 3.06Å; A177-G180 PolarHBondContact O-N 3.12Å; A177-N181 PolarHBondContact N-OD1 3.03Å; A177-V343 HydrophobicContact CB-CB 4.37Å; A177-V343 HydrophobicContact CB-CG1 4.14Å; A177-V343 HydrophobicContact CB-CG2 3.76Å; A177-F354 HydrophobicContact CB-CB 4.48Å; A177-F354 HydrophobicContact CB-CD1 3.88Å; A177-F354 HydrophobicContact CB-CD2 3.8Å; A177-F354 HydrophobicContact CB-CE1 4Å; A177-F354 HydrophobicContact CB-CE2 3.92Å; A177-F354 HydrophobicContact CB-CG 3.77Å; A177-F354 HydrophobicContact CB-CZ 4.01Å
178I98.6Very high98Very high1 Ų138.5 Ų38.51%0.00523%0.234CC..Hα-helixtrans-71.5-10.7-177.7-151.4173.5000113.2Y174 I201 I271 D273 F310 Q312 F354Y174-I178 HydrophobicContact CD1-CG2 4.33Å; Y174-I178 HydrophobicContact CE1-CD1 4.02Å; Y174-I178 HydrophobicContact CE1-CG2 4.15Å; Y174-I178 WeakPolarHBondContact O-CG2 3.33Å; Y174-I178 PolarHBondContact O-N 2.82Å; I178-I201 HydrophobicContact CD1-CD1 4.25Å; I178-I201 HydrophobicContact CG2-CD1 3.51Å; I178-I201 HydrophobicContact CG2-CG1 3.81Å; I178-I271 HydrophobicContact CD1-CG2 4.19Å; I178-I271 HydrophobicContact CG1-CG2 3.85Å; I178-I271 HydrophobicContact CG2-CG2 4.49Å; I178-D273 HydrophobicContact CD1-CB 4.03Å; I178-D273 WeakPolarHBondContact CD1-OD1 3.28Å; I178-F310 WeakPolarHBondContact O-CB 3.3Å; I178-Q312 HydrophobicContact CD1-CB 4.32Å; I178-F354 HydrophobicContact CB-CD1 4.06Å; I178-F354 HydrophobicContact CB-CE1 3.94Å; I178-F354 HydrophobicContact CG1-CD1 4.31Å; I178-F354 HydrophobicContact CG1-CE1 4.36Å
179T98.3Very high98Very high13 Ų1341.4 Ų41.48%0.0825%0.246CC..THydrogen-bonded Turntrans-104.117.6170.958.50000113.2T175 Q176 A177 Y186 I201 L205 I271T175-T179 WeakPolarHBondContact O-CB 3.31Å; T175-T179 VanDerWaalsContact O-CG2 3.27Å; T175-T179 WeakPolarHBondContact O-CG2 3.39Å; T175-T179 PolarHBondContact O-N 3.27Å; T175-T179 PolarHBondContact O-OG1 3.22Å; Q176-T179 CarbonylContact O-C 3.56Å; Q176-T179 PolarHBondContact O-N 2.83Å; Q176-T179 PolarHBondContact O-OG1 2.88Å; A177-T179 PolarHBondContact O-N 3.06Å; T179-Y186 WeakPolarHBondContact CA-OH 3.36Å; T179-Y186 PolarHBondContact O-OH 2.63Å; T179-Y186 VanDerWaalsContact O-OH 3.04Å; T179-I201 HydrophobicContact CG2-CG2 3.85Å; T179-L205 HydrophobicContact CG2-CD2 4.09Å; T179-L205 HydrophobicContact CG2-CG 4.5Å; T179-I271 HydrophobicContact CG2-CD1 4.09Å
180G97.1Very high98Very high0 Ų041.3 Ų41.30%025%0.246CC..THydrogen-bonded Turntrans84.518.7172.100000115.2Q176 A177 G182 R183 F310Q176-G180 PolarHBondContact O-N 2.95Å; A177-G180 PolarHBondContact O-N 3.12Å; G180-G182 VanDerWaalsContact C-N 3.29Å; G180-G182 PolarHBondContact O-N 3Å; G180-R183 WeakPolarHBondContact O-CB 3.24Å; G180-R183 PolarHBondContact O-N 3.37Å; G180-R183 VanDerWaalsContact O-N 3.12Å; G180-R183 PolarHBondContact O-NE 2.99Å; G180-R183 PolarHBondContact O-NH2 3.45Å; G180-F310 VanDerWaalsContact CA-CE1 3.5Å
181N95.5Very high98Very high61 Ų6139.5 Ų39.533%0.32623%0.233SC..THydrogen-bonded Turntrans53.441.8174.1-86.2-44.3000113.6Q176 A177 R183 E341Q176-N181 VanDerWaalsContact O-CA 3.27Å; Q176-N181 WeakPolarHBondContact O-CA 3.33Å; Q176-N181 PolarHBondContact O-N 3.31Å; A177-N181 PolarHBondContact N-OD1 3.03Å; N181-R183 PolarHBondContact O-N 2.77Å; N181-E341 PolarHBondContact ND2-OE1 3.4Å; N181-E341 PolarHBondContact ND2-OE2 3.36Å; N181-E341 VanDerWaalsContact ND2-OE2 3.15Å
182G95Very high98Very high73 Ų7339.5 Ų39.575%0.75323%0.233SC*.THydrogen-bonded Turntrans71.98177.500000115.2G180 E184G180-G182 VanDerWaalsContact C-N 3.29Å; G180-G182 PolarHBondContact O-N 3Å; G182-E184 VanDerWaalsContact C-N 3.31Å
183R96.9Very high98Very high128 Ų12835.5 Ų35.548%0.48321%0.212SC..  trans-80.7-15.2176.3-63173.3-69.6-121.14.5112.8G180 N181 E341G180-R183 WeakPolarHBondContact O-CB 3.24Å; G180-R183 PolarHBondContact O-N 3.37Å; G180-R183 VanDerWaalsContact O-N 3.12Å; G180-R183 PolarHBondContact O-NE 2.99Å; G180-R183 PolarHBondContact O-NH2 3.45Å; N181-R183 PolarHBondContact O-N 2.77Å; R183-E341 IonicContact CZ-OE2 2.74Å; R183-E341 IonicContact NH1-OE2 3.77Å; R183-E341 PolarHBondContact NH1-OE2 3.29Å; R183-E341 VanDerWaalsContact NH2-CD 3.26Å; R183-E341 IonicContact NH2-OE1 3.3Å; R183-E341 PolarHBondContact NH2-OE1 3.43Å; R183-E341 IonicContact NH2-OE2 3.91Å; R183-E341 PolarHBondContact NH2-OE2 3.12Å
184E97.7Very high98Very high22 Ų2234.2 Ų34.210%0.10320%0.201CC..SBendtrans-99.6152.2-178.8-56-48.2134.400112G182 Y186 Y269 K308 F310G182-E184 VanDerWaalsContact C-N 3.31Å; E184-Y186 HydrophobicContact CB-CD2 4.3Å; E184-Y186 HydrophobicContact CB-CE2 3.79Å; E184-Y269 HydrophobicContact CB-CE1 4.17Å; E184-Y269 HydrophobicContact CG-CE1 3.87Å; E184-Y269 VanDerWaalsContact OE2-CE1 3.27Å; E184-Y269 WeakPolarHBondContact OE2-CE1 2.82Å; E184-Y269 PolarHBondContact OE2-OH 2.91Å; E184-K308 WeakPolarHBondContact OE1-CD 3.39Å; E184-K308 IonicContact OE1-NZ 2.67Å; E184-K308 PolarHBondContact OE1-NZ 3.18Å; E184-K308 IonicContact OE2-NZ 3.26Å; E184-F310 HydrophobicContact CG-CE2 3.97Å; E184-F310 HydrophobicContact CG-CZ 3.54Å
185N96.9Very high98Very high105 Ų10533.8 Ų33.856%0.56120%0.2SC*.  trans-113.9109.6171.9178.18.4000109.1A187 K189N185-A187 VanDerWaalsContact OD1-CB 3.29Å; N185-A187 WeakPolarHBondContact OD1-CB 3.34Å; N185-A187 PolarHBondContact OD1-N 2.98Å; N185-K189 VanDerWaalsContact O-CG 3.31Å; N185-K189 WeakPolarHBondContact O-CG 3.13Å
186Y98.5Very high98Very high3 Ų333.6 Ų33.61%0.01220%0.2CC..  trans-86.5-4.9-178.1-69.5-82.3000114T179 E184 G188 K189 V191 L205 P210 Y269T179-Y186 WeakPolarHBondContact CA-OH 3.36Å; T179-Y186 PolarHBondContact O-OH 2.63Å; T179-Y186 VanDerWaalsContact O-OH 3.04Å; E184-Y186 HydrophobicContact CB-CD2 4.3Å; E184-Y186 HydrophobicContact CB-CE2 3.79Å; Y186-G188 PolarHBondContact O-N 3.2Å; Y186-K189 VanDerWaalsContact O-CB 3.31Å; Y186-K189 WeakPolarHBondContact O-CB 3.23Å; Y186-K189 WeakPolarHBondContact O-CG 2.95Å; Y186-K189 PolarHBondContact O-N 3.35Å; Y186-K189 VanDerWaalsContact O-N 3.15Å; Y186-V191 HydrophobicContact CD1-CG2 3.74Å; Y186-V191 HydrophobicContact CE1-CG2 4.13Å; Y186-L205 HydrophobicContact CD1-CD1 4.42Å; Y186-L205 HydrophobicContact CD1-CD2 3.7Å; Y186-L205 HydrophobicContact CD2-CD2 3.56Å; Y186-L205 HydrophobicContact CE1-CD1 4.28Å; Y186-L205 HydrophobicContact CE1-CD2 3.74Å; Y186-L205 HydrophobicContact CE2-CD2 3.6Å; Y186-L205 HydrophobicContact CG-CD2 3.59Å; Y186-P210 VanDerWaalsContact O-CA 3.28Å; Y186-P210 WeakPolarHBondContact O-CA 3.32Å; Y186-Y269 AromaticContact CD1-CD2 3.67Å; Y186-Y269 HydrophobicContact CD1-CD2 3.67Å; Y186-Y269 AromaticContact CD1-CE2 3.97Å; Y186-Y269 HydrophobicContact CD1-CE2 3.97Å; Y186-Y269 HydrophobicContact CD1-CG 4.34Å; Y186-Y269 HydrophobicContact CE1-CD1 4.4Å; Y186-Y269 AromaticContact CE1-CD2 3.54Å; Y186-Y269 HydrophobicContact CE1-CD2 3.54Å; Y186-Y269 HydrophobicContact CE1-CE2 4.02Å; Y186-Y269 AromaticContact CE1-CG 3.75Å; Y186-Y269 HydrophobicContact CE1-CG 3.75Å
187A98.6Very high98Very high49 Ų4929.2 Ų29.241%0.40518%0.18SC..THydrogen-bonded Turntrans-62124.3179.700000111.8N185 K189 Q208 K209N185-A187 VanDerWaalsContact OD1-CB 3.29Å; N185-A187 WeakPolarHBondContact OD1-CB 3.34Å; N185-A187 PolarHBondContact OD1-N 2.98Å; A187-K189 VanDerWaalsContact C-N 3.26Å; A187-K189 PolarHBondContact O-N 3.38Å; A187-Q208 VanDerWaalsContact CA-O 3.25Å; A187-Q208 WeakPolarHBondContact CA-O 3.35Å; A187-Q208 WeakPolarHBondContact CB-O 3.27Å; A187-K209 WeakPolarHBondContact CA-O 3.28Å
188G98.5Very high98Very high50 Ų5029.7 Ų29.752%0.51518%0.183SC..THydrogen-bonded Turntrans7015.6-179.100000115.2Y186 K209 K211Y186-G188 PolarHBondContact O-N 3.2Å; G188-K209 PolarHBondContact N-O 3.28Å; G188-K211 WeakPolarHBondContact O-CB 3.35Å
189K98.8Very high98Very high63 Ų6329.6 Ų29.627%0.27418%0.182SC..  trans-94.7149.7-177.1-60.7-65.7-170.8177.30113.7N185 Y186 A187 V191 K211 M212 D268 Y269N185-K189 VanDerWaalsContact O-CG 3.31Å; N185-K189 WeakPolarHBondContact O-CG 3.13Å; Y186-K189 VanDerWaalsContact O-CB 3.31Å; Y186-K189 WeakPolarHBondContact O-CB 3.23Å; Y186-K189 WeakPolarHBondContact O-CG 2.95Å; Y186-K189 PolarHBondContact O-N 3.35Å; Y186-K189 VanDerWaalsContact O-N 3.15Å; A187-K189 VanDerWaalsContact C-N 3.26Å; A187-K189 PolarHBondContact O-N 3.38Å; K189-V191 HydrophobicContact CB-CG2 4.35Å; K189-K211 WeakPolarHBondContact O-CB 3.42Å; K189-K211 PolarHBondContact O-N 2.83Å; K189-M212 PolarHBondContact O-N 2.96Å; K189-D268 HydrophobicContact CB-CB 4.14Å; K189-D268 HydrophobicContact CD-CB 3.74Å; K189-D268 WeakPolarHBondContact CD-OD1 3.13Å; K189-D268 WeakPolarHBondContact CD-OD2 3.37Å; K189-D268 HydrophobicContact CG-CB 4.45Å; K189-D268 IonicContact NZ-OD1 2.77Å; K189-D268 PolarHBondContact NZ-OD1 2.66Å; K189-Y269 HydrophobicContact CB-CD2 4.25Å; K189-Y269 HydrophobicContact CB-CE2 4.31Å; K189-Y269 HydrophobicContact CD-CE2 4.26Å; K189-Y269 HydrophobicContact CG-CD2 4.41Å; K189-Y269 HydrophobicContact CG-CE2 3.96Å
190E98.8Very high98Very high33 Ų3329.1 Ų29.115%0.15418%0.179CC..EExtended strand (participates in β ladder)trans-92.1119.6167.8-69.5-81.6165.600109K211 M212 F267 D268 Y269E190-K211 HydrophobicContact CG-CD 4.16Å; E190-K211 VanDerWaalsContact OE1-CD 3.28Å; E190-K211 WeakPolarHBondContact OE1-CD 3.19Å; E190-K211 VanDerWaalsContact OE1-CE 3.25Å; E190-K211 WeakPolarHBondContact OE1-CE 3.35Å; E190-K211 WeakPolarHBondContact OE1-CG 3.46Å; E190-K211 IonicContact OE1-NZ 3.29Å; E190-K211 PolarHBondContact OE1-NZ 3.15Å; E190-M212 WeakPolarHBondContact CA-O 3.44Å; E190-M212 WeakPolarHBondContact OE2-CB 3.42Å; E190-F267 HydrophobicContact CB-CD1 4.25Å; E190-D268 PolarHBondContact N-OD2 3.35Å; E190-D268 PolarHBondContact O-N 2.93Å; E190-Y269 PolarHBondContact O-N 2.91Å
191V98.9Very high98.1Very high0 Ų029.2 Ų29.20%018%0.18CC..EExtended strand (participates in β ladder)trans-123.1136.6-176.2-171.70000110.4Y186 K189 I193 L205 M212 V213 T214 Y269 I271Y186-V191 HydrophobicContact CD1-CG2 3.74Å; Y186-V191 HydrophobicContact CE1-CG2 4.13Å; K189-V191 HydrophobicContact CB-CG2 4.35Å; V191-I193 HydrophobicContact CG1-CG1 4.46Å; V191-L205 HydrophobicContact CB-CD1 4.36Å; V191-L205 HydrophobicContact CG1-CD1 3.74Å; V191-L205 HydrophobicContact CG2-CD1 4.42Å; V191-M212 PolarHBondContact N-O 2.96Å; V191-V213 HydrophobicContact CB-CG1 4.34Å; V191-V213 HydrophobicContact CB-CG2 4.32Å; V191-V213 WeakPolarHBondContact O-CA 3.45Å; V191-T214 PolarHBondContact O-N 2.77Å; V191-Y269 WeakPolarHBondContact CA-O 3.42Å; V191-Y269 HydrophobicContact CG2-CD2 4.31Å; V191-I271 HydrophobicContact CG1-CD1 4.08Å; V191-I271 HydrophobicContact CG1-CG1 4.33Å
192L98.9Very high98.2Very high1 Ų126.3 Ų26.31%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-110.7127.3169.8-179.762.4000109.3L194 T214 V216 L257 Y260 F267 Y269 V270 I271 V302L192-L194 HydrophobicContact CD1-CD2 4.18Å; L192-L194 HydrophobicContact CD2-CD2 3.81Å; L192-L194 HydrophobicContact CG-CD2 3.76Å; L192-T214 CarbonylContact C-O 3.49Å; L192-T214 WeakPolarHBondContact CA-O 3.33Å; L192-T214 HydrophobicContact CD1-CG2 4.14Å; L192-V216 HydrophobicContact CD1-CG2 3.83Å; L192-L257 HydrophobicContact CD2-CD2 3.72Å; L192-Y260 HydrophobicContact CD1-CE2 4.24Å; L192-F267 HydrophobicContact CB-CB 4.41Å; L192-F267 HydrophobicContact CB-CD1 3.77Å; L192-F267 HydrophobicContact CB-CD2 4.02Å; L192-F267 HydrophobicContact CB-CE1 3.93Å; L192-F267 HydrophobicContact CB-CE2 4.2Å; L192-F267 HydrophobicContact CB-CG 3.8Å; L192-F267 HydrophobicContact CB-CZ 4.14Å; L192-F267 HydrophobicContact CD1-CZ 4.26Å; L192-F267 HydrophobicContact CD2-CD2 4.09Å; L192-F267 HydrophobicContact CD2-CE2 3.85Å; L192-F267 HydrophobicContact CD2-CZ 4.24Å; L192-F267 HydrophobicContact CG-CE2 4.48Å; L192-F267 HydrophobicContact CG-CZ 4.46Å; L192-Y269 PolarHBondContact N-O 3.17Å; L192-V270 HydrophobicContact CB-CG2 4.31Å; L192-V270 HydrophobicContact CD2-CG1 4.37Å; L192-V270 HydrophobicContact CD2-CG2 4.49Å; L192-V270 CarbonylContact O-C 3.56Å; L192-V270 WeakPolarHBondContact O-CA 3.49Å; L192-I271 PolarHBondContact O-N 2.86Å; L192-V302 HydrophobicContact CD2-CG2 4.1Å
193I98.9Very high98.4Very high0 Ų023.1 Ų23.10%013%0.131CC..EExtended strand (participates in β ladder)trans-110.5127.8170.4-55167.6000107.4V191 I201 L202 L205 V213 T214 M215 V216 I271 D273V191-I193 HydrophobicContact CG1-CG1 4.46Å; I193-I201 HydrophobicContact CD1-CB 4.09Å; I193-I201 HydrophobicContact CD1-CG2 3.56Å; I193-I201 HydrophobicContact CG1-CG2 4.05Å; I193-L202 HydrophobicContact CD1-CB 4.17Å; I193-L205 HydrophobicContact CD1-CD1 4.29Å; I193-V213 HydrophobicContact CD1-CG1 3.52Å; I193-V213 HydrophobicContact CG1-CG1 4.02Å; I193-T214 PolarHBondContact N-O 3.42Å; I193-M215 HydrophobicContact CB-CB 4.24Å; I193-M215 HydrophobicContact CB-CG 4.08Å; I193-M215 HydrophobicContact CD1-CB 4.47Å; I193-M215 HydrophobicContact CG2-CG 4.12Å; I193-M215 WeakPolarHBondContact O-CA 3.29Å; I193-V216 PolarHBondContact O-N 3.38Å; I193-I271 CarbonylContact C-O 3.52Å; I193-I271 WeakPolarHBondContact CA-O 3.38Å; I193-I271 HydrophobicContact CG1-CB 4.49Å; I193-D273 HydrophobicContact CG2-CB 4.48Å
194L98.8Very high98.4Very high1 Ų119.9 Ų19.91%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-103.2123.7172.4-44.8177.2000107.7L192 C253 L257 V270 I271 N272 D273 L274 I295 S299L192-L194 HydrophobicContact CD1-CD2 4.18Å; L192-L194 HydrophobicContact CD2-CD2 3.81Å; L192-L194 HydrophobicContact CG-CD2 3.76Å; L194-C253 HydrophobicContact CD2-CB 4.07Å; L194-L257 HydrophobicContact CD1-CD1 3.97Å; L194-L257 HydrophobicContact CD2-CD1 4.19Å; L194-L257 HydrophobicContact CD2-CD2 4.25Å; L194-L257 HydrophobicContact CD2-CG 4.29Å; L194-V270 HydrophobicContact CD1-CG1 4.4Å; L194-I271 PolarHBondContact N-O 2.92Å; L194-N272 HydrophobicContact CD1-CB 4.34Å; L194-D273 CarbonylContact O-C 3.46Å; L194-D273 VanDerWaalsContact O-CA 3.29Å; L194-D273 WeakPolarHBondContact O-CA 3.42Å; L194-D273 PolarHBondContact O-N 2.94Å; L194-L274 HydrophobicContact CB-CD1 4.34Å; L194-L274 HydrophobicContact CB-CD2 4.26Å; L194-L274 HydrophobicContact CB-CG 4.11Å; L194-L274 PolarHBondContact O-N 3.4Å; L194-I295 HydrophobicContact CD1-CG2 4.16Å; L194-S299 WeakPolarHBondContact CD1-OG 3.33Å
195G98.5Very high98.5Very high2 Ų218.9 Ų18.92%0.02112%0.116CC..EExtended strand (participates in β ladder)trans73.7-137.2-168.400000111.9M215 V216G195-M215 WeakPolarHBondContact O-CG 3.31Å; G195-V216 WeakPolarHBondContact CA-O 3.27Å; G195-V216 PolarHBondContact N-O 3.16Å
196G97.6Very high98.5Very high3 Ų315.7 Ų15.73%0.03110%0.101CC..  trans68.533.8-179.400000114D198 G199 M215 D273G196-D198 PolarHBondContact O-N 2.91Å; G196-D198 VanDerWaalsContact O-N 3.09Å; G196-G199 PolarHBondContact O-N 2.97Å; G196-M215 VanDerWaalsContact O-SD 3.33Å; G196-D273 WeakPolarHBondContact CA-OD2 3.48Å; G196-D273 PolarHBondContact N-O 3Å; G196-D273 VanDerWaalsContact N-O 3.15Å
197G98.1Very high98.5Very high4 Ų422.1 Ų22.14%0.04113%0.129CC..THydrogen-bonded Turntrans-58.6-16.6179.500000115.2G199 E217G197-G199 PolarHBondContact O-N 3.25Å; G197-E217 WeakPolarHBondContact CA-OE2 3.34Å; G197-E217 PolarHBondContact N-OE2 2.95Å
198D98.6Very high98.4Very high11 Ų1123.3 Ų23.36%0.05913%0.126CC..THydrogen-bonded Turntrans-68.7-22.2170.169.296.4000112.8L159 L167 G196 G200 T233 C234L159-D198 HydrophobicContact CD2-CB 4.19Å; L167-D198 HydrophobicContact CD2-CB 4.09Å; L167-D198 WeakPolarHBondContact CD2-OD1 3.26Å; G196-D198 PolarHBondContact O-N 2.91Å; G196-D198 VanDerWaalsContact O-N 3.09Å; D198-G200 VanDerWaalsContact C-N 3.32Å; D198-G200 PolarHBondContact O-N 3.41Å; D198-G200 WeakPolarHBondContact OD1-CA 3.27Å; D198-G200 PolarHBondContact OD1-N 3.23Å; D198-T233 WeakPolarHBondContact OD1-CG2 3.37Å; D198-C234 VanDerWaalsContact O-CB 3.26Å; D198-C234 WeakPolarHBondContact O-CB 3.19Å
199G98.5Very high98.4Very high0 Ų029 Ų290%014%0.137CC..  trans77.73.6175.700000115.8G196 G197 L202 A203G196-G199 PolarHBondContact O-N 2.97Å; G197-G199 PolarHBondContact O-N 3.25Å; G199-L202 PolarHBondContact O-N 3.09Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.44Å; G199-A203 PolarHBondContact O-N 3.33Å
200G98.5Very high98.4Very high2 Ų226.4 Ų26.42%0.02113%0.126CC..Hα-helixtrans-64-47.2-177.900000113.1D198 L202 A203 E204D198-G200 VanDerWaalsContact C-N 3.32Å; D198-G200 PolarHBondContact O-N 3.41Å; D198-G200 WeakPolarHBondContact OD1-CA 3.27Å; D198-G200 PolarHBondContact OD1-N 3.23Å; G200-L202 PolarHBondContact O-N 2.63Å; G200-A203 PolarHBondContact O-N 2.88Å; G200-E204 PolarHBondContact O-N 3.28Å
201I98.8Very high98.4Very high2 Ų231 Ų311%0.0115%0.146CC..Hα-helixtrans-59.3-49.6175.9-59.7174.2000109.9T175 I178 T179 I193 A203 E204 L205 I271 D273T175-I201 HydrophobicContact CG2-CG1 4.14Å; I178-I201 HydrophobicContact CD1-CD1 4.25Å; I178-I201 HydrophobicContact CG2-CD1 3.51Å; I178-I201 HydrophobicContact CG2-CG1 3.81Å; T179-I201 HydrophobicContact CG2-CG2 3.85Å; I193-I201 HydrophobicContact CD1-CB 4.09Å; I193-I201 HydrophobicContact CD1-CG2 3.56Å; I193-I201 HydrophobicContact CG1-CG2 4.05Å; I201-A203 VanDerWaalsContact C-N 3.34Å; I201-A203 PolarHBondContact O-N 2.9Å; I201-E204 PolarHBondContact O-N 3.37Å; I201-L205 HydrophobicContact CG2-CD1 3.91Å; I201-L205 HydrophobicContact CG2-CG 4.12Å; I201-L205 WeakPolarHBondContact O-CB 3.44Å; I201-L205 VanDerWaalsContact O-CG 3.28Å; I201-L205 WeakPolarHBondContact O-CG 3.23Å; I201-L205 PolarHBondContact O-N 3.32Å; I201-I271 HydrophobicContact CD1-CG2 3.92Å; I201-I271 HydrophobicContact CG2-CD1 3.88Å; I201-D273 HydrophobicContact CD1-CB 3.66Å; I201-D273 VanDerWaalsContact CD1-CG 3.47Å; I201-D273 WeakPolarHBondContact CD1-OD2 3.37Å
202L98.8Very high98.4Very high1 Ų133.1 Ų33.11%0.00516%0.156CC..Hα-helixtrans-59-45.6179.8178.862.1000111.6I193 G199 G200 E204 L205 V206 V213 M215 T237 Y246 I248I193-L202 HydrophobicContact CD1-CB 4.17Å; G199-L202 PolarHBondContact O-N 3.09Å; G200-L202 PolarHBondContact O-N 2.63Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 3.17Å; L202-L205 PolarHBondContact O-N 2.8Å; L202-V206 HydrophobicContact CD1-CG2 3.99Å; L202-V206 HydrophobicContact CG-CG2 4.46Å; L202-V206 VanDerWaalsContact O-CG2 3.3Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.06Å; L202-V213 HydrophobicContact CD1-CB 3.8Å; L202-V213 HydrophobicContact CD1-CG1 3.56Å; L202-M215 HydrophobicContact CB-SD 3.93Å; L202-M215 HydrophobicContact CD2-CE 4.44Å; L202-M215 HydrophobicContact CD2-SD 3.89Å; L202-M215 HydrophobicContact CG-SD 4.49Å; L202-T237 HydrophobicContact CD2-CG2 3.79Å; L202-T237 HydrophobicContact CG-CG2 3.66Å; L202-Y246 HydrophobicContact CD1-CD2 4.17Å; L202-Y246 HydrophobicContact CD1-CG 4.04Å; L202-Y246 HydrophobicContact CD2-CD2 3.9Å; L202-Y246 HydrophobicContact CD2-CE2 4.29Å; L202-Y246 HydrophobicContact CG-CD2 4.47Å; L202-I248 HydrophobicContact CD2-CD1 3.71Å; L202-I248 HydrophobicContact CD2-CG1 3.73Å
203A98.4Very high98.4Very high5 Ų533.1 Ų33.14%0.04116%0.156CC..Hα-helixtrans-61.6-39.3179.300000112.7G199 G200 I201 K207 T237G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.44Å; G199-A203 PolarHBondContact O-N 3.33Å; G200-A203 PolarHBondContact O-N 2.88Å; I201-A203 VanDerWaalsContact C-N 3.34Å; I201-A203 PolarHBondContact O-N 2.9Å; A203-K207 VanDerWaalsContact O-CE 3.3Å; A203-K207 WeakPolarHBondContact O-CE 3.29Å; A203-K207 WeakPolarHBondContact O-CG 3.49Å; A203-T237 WeakPolarHBondContact CB-OG1 3.5Å
204E98.3Very high98.4Very high61 Ų6133.1 Ų33.129%0.28516%0.156SC..Hα-helixtrans-72.5-42.1175.7-73.2-54.2121.800112.5L172 T175 G200 I201 L202 K207L172-E204 HydrophobicContact CD1-CG 4.48Å; T175-E204 HydrophobicContact CG2-CB 4.24Å; T175-E204 HydrophobicContact CG2-CG 3.84Å; G200-E204 PolarHBondContact O-N 3.28Å; I201-E204 PolarHBondContact O-N 3.37Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 3.17Å; E204-K207 WeakPolarHBondContact O-CB 3.29Å; E204-K207 PolarHBondContact O-N 2.85Å; E204-K207 IonicContact OE1-NZ 3.27Å; E204-K207 PolarHBondContact OE1-NZ 3.47Å; E204-K207 IonicContact OE2-NZ 2.81Å
205L98.4Very high98.4Very high0 Ų033.1 Ų33.10%016%0.156CC..Hα-helixtrans-67.6-40-178-68.8-169.8000112.6T179 Y186 V191 I193 I201 L202 K207 Q208 P210 V213 I271T179-L205 HydrophobicContact CG2-CD2 4.09Å; T179-L205 HydrophobicContact CG2-CG 4.5Å; Y186-L205 HydrophobicContact CD1-CD1 4.42Å; Y186-L205 HydrophobicContact CD1-CD2 3.7Å; Y186-L205 HydrophobicContact CD2-CD2 3.56Å; Y186-L205 HydrophobicContact CE1-CD1 4.28Å; Y186-L205 HydrophobicContact CE1-CD2 3.74Å; Y186-L205 HydrophobicContact CE2-CD2 3.6Å; Y186-L205 HydrophobicContact CG-CD2 3.59Å; V191-L205 HydrophobicContact CB-CD1 4.36Å; V191-L205 HydrophobicContact CG1-CD1 3.74Å; V191-L205 HydrophobicContact CG2-CD1 4.42Å; I193-L205 HydrophobicContact CD1-CD1 4.29Å; I201-L205 HydrophobicContact CG2-CD1 3.91Å; I201-L205 HydrophobicContact CG2-CG 4.12Å; I201-L205 WeakPolarHBondContact O-CB 3.44Å; I201-L205 VanDerWaalsContact O-CG 3.28Å; I201-L205 WeakPolarHBondContact O-CG 3.23Å; I201-L205 PolarHBondContact O-N 3.32Å; L202-L205 PolarHBondContact O-N 2.8Å; L205-K207 PolarHBondContact O-N 2.78Å; L205-Q208 WeakPolarHBondContact O-CB 3.41Å; L205-Q208 PolarHBondContact O-N 3.1Å; L205-P210 WeakPolarHBondContact O-CD 3.35Å; L205-V213 HydrophobicContact CB-CG2 4.14Å; L205-V213 HydrophobicContact CD1-CG1 4.43Å; L205-I271 HydrophobicContact CD1-CD1 3.89Å
206V98.1Very high98.4Very high38 Ų3833.1 Ų33.123%0.2316%0.156CC..Hα-helixtrans-56.9-35178.8165.60000111.8L202 Q208 K209 T237 Y246L202-V206 HydrophobicContact CD1-CG2 3.99Å; L202-V206 HydrophobicContact CG-CG2 4.46Å; L202-V206 VanDerWaalsContact O-CG2 3.3Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.06Å; V206-Q208 PolarHBondContact O-N 2.78Å; V206-K209 PolarHBondContact O-N 2.88Å; V206-T237 HydrophobicContact CG2-CG2 4.48Å; V206-Y246 HydrophobicContact CG2-CD1 3.66Å; V206-Y246 HydrophobicContact CG2-CE1 4.43Å; V206-Y246 HydrophobicContact CG2-CG 4.08Å
207K97.3Very high98.5Very high139 Ų13933.7 Ų33.760%0.60416%0.157SC*.Hα-helixtrans-62.7-25.7176.8-62.2167.3-1701720112.7A203 E204 L205 K209A203-K207 VanDerWaalsContact O-CE 3.3Å; A203-K207 WeakPolarHBondContact O-CE 3.29Å; A203-K207 WeakPolarHBondContact O-CG 3.49Å; E204-K207 WeakPolarHBondContact O-CB 3.29Å; E204-K207 PolarHBondContact O-N 2.85Å; E204-K207 IonicContact OE1-NZ 3.27Å; E204-K207 PolarHBondContact OE1-NZ 3.47Å; E204-K207 IonicContact OE2-NZ 2.81Å; L205-K207 PolarHBondContact O-N 2.78Å; K207-K209 VanDerWaalsContact C-N 3.28Å; K207-K209 PolarHBondContact O-N 3.45Å
208Q97.8Very high98.5Very high73 Ų7334.5 Ų34.534%0.34116%0.161SC..THydrogen-bonded Turntrans-85.25.3-179.3-57.3-163.641.400114A187 L205 V206A187-Q208 VanDerWaalsContact CA-O 3.25Å; A187-Q208 WeakPolarHBondContact CA-O 3.35Å; A187-Q208 WeakPolarHBondContact CB-O 3.27Å; L205-Q208 WeakPolarHBondContact O-CB 3.41Å; L205-Q208 PolarHBondContact O-N 3.1Å; V206-Q208 PolarHBondContact O-N 2.78Å
209K98.1Very high98.4Very high170 Ų17034.1 Ų34.174%0.73916%0.159SC*.  trans5755.7178.6-53.8177.5-177.81780113.2A187 G188 V206 K207A187-K209 WeakPolarHBondContact CA-O 3.28Å; G188-K209 PolarHBondContact N-O 3.28Å; V206-K209 PolarHBondContact O-N 2.88Å; K207-K209 VanDerWaalsContact C-N 3.28Å; K207-K209 PolarHBondContact O-N 3.45Å
210P98.6Very high98.4Very high9 Ų937.2 Ų37.26%0.05817%0.173CC..  trans-64.9162.7173.930.4-33.7000110.3Y186 L205 V213 C245Y186-P210 VanDerWaalsContact O-CA 3.28Å; Y186-P210 WeakPolarHBondContact O-CA 3.32Å; L205-P210 WeakPolarHBondContact O-CD 3.35Å; P210-V213 HydrophobicContact CB-CG2 3.88Å; P210-V213 HydrophobicContact CG-CG2 3.45Å; P210-V213 VanDerWaalsContact CG-CG2 3.45Å; P210-C245 HydrophobicContact CG-CB 4.38Å; P210-C245 WeakPolarHBondContact O-CB 3.26Å
211K98.7Very high98.4Very high129 Ų12940.2 Ų40.256%0.56119%0.186SC*.SBendtrans-70.1-45.3170.5178.1175.6173.9-121.10110G188 K189 E190G188-K211 WeakPolarHBondContact O-CB 3.35Å; K189-K211 WeakPolarHBondContact O-CB 3.42Å; K189-K211 PolarHBondContact O-N 2.83Å; E190-K211 HydrophobicContact CG-CD 4.16Å; E190-K211 VanDerWaalsContact OE1-CD 3.28Å; E190-K211 WeakPolarHBondContact OE1-CD 3.19Å; E190-K211 VanDerWaalsContact OE1-CE 3.25Å; E190-K211 WeakPolarHBondContact OE1-CE 3.35Å; E190-K211 WeakPolarHBondContact OE1-CG 3.46Å; E190-K211 IonicContact OE1-NZ 3.29Å; E190-K211 PolarHBondContact OE1-NZ 3.15Å
212M98.8Very high98.4Very high45 Ų4540.2 Ų40.222%0.22219%0.186CC..EExtended strand (participates in β ladder)trans-160.9136.8174.3-175.75858.500110K189 E190 V191 C245 Q247K189-M212 PolarHBondContact O-N 2.96Å; E190-M212 WeakPolarHBondContact CA-O 3.44Å; E190-M212 WeakPolarHBondContact OE2-CB 3.42Å; V191-M212 PolarHBondContact N-O 2.96Å; M212-C245 CarbonylContact C-O 3.52Å; M212-C245 WeakPolarHBondContact CA-O 3.49Å; M212-Q247 HydrophobicContact SD-CG 4.49Å
213V98.9Very high98.4Very high0 Ų040.2 Ų40.20%019%0.186CC..EExtended strand (participates in β ladder)trans-110.9120.4165-1720000108.2V191 I193 L202 L205 P210 C245 Y246 Q247V191-V213 HydrophobicContact CB-CG1 4.34Å; V191-V213 HydrophobicContact CB-CG2 4.32Å; V191-V213 WeakPolarHBondContact O-CA 3.45Å; I193-V213 HydrophobicContact CD1-CG1 3.52Å; I193-V213 HydrophobicContact CG1-CG1 4.02Å; L202-V213 HydrophobicContact CD1-CB 3.8Å; L202-V213 HydrophobicContact CD1-CG1 3.56Å; L205-V213 HydrophobicContact CB-CG2 4.14Å; L205-V213 HydrophobicContact CD1-CG1 4.43Å; P210-V213 HydrophobicContact CB-CG2 3.88Å; P210-V213 HydrophobicContact CG-CG2 3.45Å; P210-V213 VanDerWaalsContact CG-CG2 3.45Å; V213-C245 PolarHBondContact N-O 3.1Å; V213-Y246 CarbonylContact O-C 3.59Å; V213-Y246 WeakPolarHBondContact O-CA 3.21Å; V213-Y246 WeakPolarHBondContact O-CB 3.49Å; V213-Q247 PolarHBondContact O-N 3.06Å
214T98.9Very high98.4Very high0 Ų043.4 Ų43.40%020%0.202CC..EExtended strand (participates in β ladder)trans-103.6112.7170.4-58.80000107.9V191 L192 I193 V216 Q247 L249V191-T214 PolarHBondContact O-N 2.77Å; L192-T214 CarbonylContact C-O 3.49Å; L192-T214 WeakPolarHBondContact CA-O 3.33Å; L192-T214 HydrophobicContact CD1-CG2 4.14Å; I193-T214 PolarHBondContact N-O 3.42Å; T214-V216 HydrophobicContact CG2-CG2 4.16Å; T214-Q247 WeakPolarHBondContact CA-O 3.43Å; T214-Q247 HydrophobicContact CG2-CG 4.07Å; T214-Q247 PolarHBondContact OG1-NE2 2.84Å; T214-L249 HydrophobicContact CG2-CD1 3.66Å; T214-L249 HydrophobicContact CG2-CG 4.21Å
215M98.9Very high98.4Very high1 Ų140.6 Ų40.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-99.7137.2172.7-173.3175.399.700109.2I193 G195 G196 L202 I223 L238 Q247 I248 L249I193-M215 HydrophobicContact CB-CB 4.24Å; I193-M215 HydrophobicContact CB-CG 4.08Å; I193-M215 HydrophobicContact CD1-CB 4.47Å; I193-M215 HydrophobicContact CG2-CG 4.12Å; I193-M215 WeakPolarHBondContact O-CA 3.29Å; G195-M215 WeakPolarHBondContact O-CG 3.31Å; G196-M215 VanDerWaalsContact O-SD 3.33Å; L202-M215 HydrophobicContact CB-SD 3.93Å; L202-M215 HydrophobicContact CD2-CE 4.44Å; L202-M215 HydrophobicContact CD2-SD 3.89Å; L202-M215 HydrophobicContact CG-SD 4.49Å; M215-I223 HydrophobicContact CE-CD1 4.29Å; M215-L238 HydrophobicContact CE-CD2 4.05Å; M215-Q247 PolarHBondContact N-O 2.55Å; M215-I248 HydrophobicContact CB-CG1 4.41Å; M215-I248 HydrophobicContact CE-CB 4.45Å; M215-I248 HydrophobicContact CE-CD1 3.96Å; M215-I248 HydrophobicContact CE-CG1 4.01Å; M215-I248 HydrophobicContact CE-CG2 3.67Å; M215-I248 CarbonylContact O-C 3.59Å; M215-I248 WeakPolarHBondContact O-CA 3.18Å; M215-L249 PolarHBondContact O-N 2.59Å
216V98.8Very high98.4Very high2 Ų240.6 Ų40.61%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-128.1105.4-175.5-169.30000108.3L192 I193 G195 T214 L249 E251 C253 L256L192-V216 HydrophobicContact CD1-CG2 3.83Å; I193-V216 PolarHBondContact O-N 3.38Å; G195-V216 WeakPolarHBondContact CA-O 3.27Å; G195-V216 PolarHBondContact N-O 3.16Å; T214-V216 HydrophobicContact CG2-CG2 4.16Å; V216-L249 WeakPolarHBondContact CA-O 3.43Å; V216-L249 HydrophobicContact CG1-CB 4.49Å; V216-L249 HydrophobicContact CG2-CD1 4.43Å; V216-E251 HydrophobicContact CG1-CG 3.95Å; V216-E251 WeakPolarHBondContact CG1-O 3.45Å; V216-C253 HydrophobicContact CB-CB 4.34Å; V216-C253 HydrophobicContact CG1-CB 3.94Å; V216-L256 HydrophobicContact CB-CD2 4.24Å; V216-L256 HydrophobicContact CG1-CD2 3.73Å; V216-L256 HydrophobicContact CG2-CD2 3.44Å; V216-L256 VanDerWaalsContact CG2-CD2 3.44Å
217E98.5Very high98.4Very high15 Ų1541.5 Ų41.57%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-121.2133.3-177172.950.3-11300108.6G197 D219 I223 L249 I250 E251G197-E217 WeakPolarHBondContact CA-OE2 3.34Å; G197-E217 PolarHBondContact N-OE2 2.95Å; E217-D219 PolarHBondContact OE1-N 2.95Å; E217-I223 HydrophobicContact CB-CD1 3.78Å; E217-I223 HydrophobicContact CB-CG1 4.49Å; E217-I223 HydrophobicContact CG-CD1 3.66Å; E217-I223 HydrophobicContact CG-CG1 3.96Å; E217-L249 PolarHBondContact N-O 2.86Å; E217-I250 CarbonylContact O-C 3.57Å; E217-I250 WeakPolarHBondContact O-CA 3.45Å; E217-E251 CarbonylContact C-O 3.54Å; E217-E251 PolarHBondContact O-N 2.8Å
218I98.1Very high98.5Very high22 Ų2240.3 Ų40.311%0.11319%0.188CC..SBendtrans-80.1-28.8-177.1-165173.1000111.6Y144 D252 I279 T281Y144-I218 HydrophobicContact CD1-CD1 3.93Å; Y144-I218 HydrophobicContact CD1-CG1 4.2Å; Y144-I218 HydrophobicContact CE1-CD1 3.62Å; Y144-I218 HydrophobicContact CE1-CG1 3.71Å; Y144-I218 HydrophobicContact CE2-CG1 4.27Å; Y144-I218 VanDerWaalsContact CE2-O 3.28Å; Y144-I218 WeakPolarHBondContact CE2-O 3.29Å; I218-D252 HydrophobicContact CD1-CB 4.02Å; I218-D252 HydrophobicContact CG1-CB 4.43Å; I218-I279 HydrophobicContact CD1-CG2 4.22Å; I218-I279 HydrophobicContact CG2-CD1 4.1Å; I218-T281 HydrophobicContact CD1-CG2 4.08Å
219D98.2Very high98.5Very high3 Ų340.8 Ų40.82%0.01619%0.187CC..  trans-111.5101.2-167.2-163.1-19.2000113.1S142 Y144 Q145 E217 K221 V222 I223S142-D219 WeakPolarHBondContact CB-OD1 3.29Å; S142-D219 WeakPolarHBondContact CB-OD2 3.17Å; S142-D219 PolarHBondContact OG-OD2 2.97Å; Y144-D219 HydrophobicContact CD2-CB 3.86Å; Y144-D219 HydrophobicContact CE2-CB 4.43Å; Q145-D219 PolarHBondContact NE2-OD2 3Å; E217-D219 PolarHBondContact OE1-N 2.95Å; D219-K221 PolarHBondContact O-N 2.88Å; D219-K221 WeakPolarHBondContact OD1-CB 3.5Å; D219-K221 PolarHBondContact OD1-N 2.95Å; D219-V222 HydrophobicContact CB-CB 4.26Å; D219-V222 HydrophobicContact CB-CG2 3.79Å; D219-V222 PolarHBondContact O-N 2.93Å; D219-V222 VanDerWaalsContact O-N 3.14Å; D219-I223 PolarHBondContact O-N 2.92Å
220Q98.4Very high98.6Very high65 Ų6532.7 Ų32.730%0.30415%0.152SC..Hα-helixtrans-56-33174.9-175.661.564.700112.6V222 I223 D224 I250Q220-V222 VanDerWaalsContact C-N 3.31Å; Q220-V222 PolarHBondContact O-N 2.87Å; Q220-I223 PolarHBondContact O-N 3.43Å; Q220-D224 PolarHBondContact NE2-OD1 3.39Å; Q220-D224 VanDerWaalsContact O-CG 3.29Å; Q220-D224 PolarHBondContact O-N 2.99Å; Q220-I250 HydrophobicContact CB-CG2 4.07Å
221K98.5Very high98.5Very high64 Ų6436.2 Ų36.228%0.27816%0.164SC..Hα-helixtrans-71.6-28.1-177.6-63.6-161.2-172.1-178.30112.2E140 D141 I147 D219 G225E140-K221 HydrophobicContact CG-CD 4.02Å; E140-K221 WeakPolarHBondContact OE1-CD 3.05Å; E140-K221 VanDerWaalsContact OE1-CE 3.23Å; E140-K221 WeakPolarHBondContact OE1-CE 3.25Å; E140-K221 IonicContact OE1-NZ 3.04Å; E140-K221 PolarHBondContact OE1-NZ 2.63Å; D141-K221 PolarHBondContact O-NZ 2.76Å; I147-K221 HydrophobicContact CD1-CB 3.51Å; D219-K221 PolarHBondContact O-N 2.88Å; D219-K221 WeakPolarHBondContact OD1-CB 3.5Å; D219-K221 PolarHBondContact OD1-N 2.95Å; K221-G225 PolarHBondContact O-N 3.21Å
222V98.6Very high98.4Very high3 Ų339.4 Ų39.42%0.01817%0.173CC..Hα-helixtrans-65.5-47.1172.3175.60000109.6I147 L159 L161 D219 Q220 D224 G225 C226I147-V222 HydrophobicContact CD1-CG2 3.63Å; I147-V222 HydrophobicContact CG1-CG2 3.96Å; L159-V222 HydrophobicContact CD2-CG1 4.33Å; L161-V222 HydrophobicContact CD2-CG2 3.96Å; D219-V222 HydrophobicContact CB-CB 4.26Å; D219-V222 HydrophobicContact CB-CG2 3.79Å; D219-V222 PolarHBondContact O-N 2.93Å; D219-V222 VanDerWaalsContact O-N 3.14Å; Q220-V222 VanDerWaalsContact C-N 3.31Å; Q220-V222 PolarHBondContact O-N 2.87Å; V222-D224 PolarHBondContact O-N 3.42Å; V222-G225 PolarHBondContact O-N 3.35Å; V222-C226 WeakPolarHBondContact O-CB 3.49Å; V222-C226 PolarHBondContact O-N 3.45Å; V222-C226 PolarHBondContact O-SG 3.2Å
223I98.6Very high98.4Very high1 Ų138.1 Ų38.11%0.00517%0.168CC..Hα-helixtrans-61.3-46.4177.1-72.9165.6000111.1M215 E217 D219 Q220 C226 K227 L238 I248 I250M215-I223 HydrophobicContact CE-CD1 4.29Å; E217-I223 HydrophobicContact CB-CD1 3.78Å; E217-I223 HydrophobicContact CB-CG1 4.49Å; E217-I223 HydrophobicContact CG-CD1 3.66Å; E217-I223 HydrophobicContact CG-CG1 3.96Å; D219-I223 PolarHBondContact O-N 2.92Å; Q220-I223 PolarHBondContact O-N 3.43Å; I223-C226 PolarHBondContact O-N 3.05Å; I223-K227 WeakPolarHBondContact O-CB 3.46Å; I223-K227 PolarHBondContact O-N 3.26Å; I223-L238 HydrophobicContact CG2-CB 4.45Å; I223-L238 HydrophobicContact CG2-CD1 4.48Å; I223-L238 HydrophobicContact CG2-CD2 4.48Å; I223-I248 HydrophobicContact CD1-CG2 3.82Å; I223-I250 HydrophobicContact CD1-CD1 3.25Å
224D98.4Very high98.3Very high72 Ų7238.1 Ų38.139%0.38517%0.168SC..Hα-helixtrans-64.3-43.4-178.6-69.8-16.4000111.6Q220 V222 M228Q220-D224 PolarHBondContact NE2-OD1 3.39Å; Q220-D224 VanDerWaalsContact O-CG 3.29Å; Q220-D224 PolarHBondContact O-N 2.99Å; V222-D224 PolarHBondContact O-N 3.42Å; D224-M228 WeakPolarHBondContact O-CG 3.41Å; D224-M228 PolarHBondContact O-N 3.17Å; D224-M228 VanDerWaalsContact O-N 3.11Å
225G98.5Very high98.2Very high1 Ų139.5 Ų39.51%0.0118%0.182CC..Hα-helixtrans-61.6-49.7174.700000112.2K221 V222 M228 Y229K221-G225 PolarHBondContact O-N 3.21Å; V222-G225 PolarHBondContact O-N 3.35Å; G225-M228 PolarHBondContact O-N 3Å; G225-M228 VanDerWaalsContact O-N 3.1Å; G225-Y229 VanDerWaalsContact O-CD2 3.25Å; G225-Y229 WeakPolarHBondContact O-CD2 3.33Å; G225-Y229 PolarHBondContact O-N 2.83Å
226C98.6Very high98.1Very high0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-67.4-39.7-178.7-65.80000112.3V222 I223 M228 Y229 M230 L238V222-C226 WeakPolarHBondContact O-CB 3.49Å; V222-C226 PolarHBondContact O-N 3.45Å; V222-C226 PolarHBondContact O-SG 3.2Å; I223-C226 PolarHBondContact O-N 3.05Å; C226-M228 PolarHBondContact O-N 3.32Å; C226-Y229 PolarHBondContact O-N 3.08Å; C226-M230 HydrophobicContact CB-CB 4.05Å; C226-M230 HydrophobicContact CB-CG 4.11Å; C226-M230 WeakPolarHBondContact O-CA 3.39Å; C226-M230 WeakPolarHBondContact O-CB 3.41Å; C226-M230 PolarHBondContact O-N 3.47Å; C226-L238 HydrophobicContact CB-CD1 4.1Å
227K98.1Very high98Very high58 Ų5846 Ų4625%0.25222%0.217SC..Hα-helixtrans-56-37.4170.6175.5-176.3174.6162.80111.4I223 R231 L238 D239I223-K227 WeakPolarHBondContact O-CB 3.46Å; I223-K227 PolarHBondContact O-N 3.26Å; K227-R231 WeakPolarHBondContact O-CD 3.27Å; K227-R231 PolarHBondContact O-NE 3.25Å; K227-R231 PolarHBondContact O-NH2 3.08Å; K227-L238 HydrophobicContact CB-CB 3.94Å; K227-L238 HydrophobicContact CB-CD1 4.46Å; K227-L238 WeakPolarHBondContact CD-O 3.42Å; K227-L238 HydrophobicContact CG-CB 4.31Å; K227-D239 VanDerWaalsContact CE-OD1 3.27Å; K227-D239 WeakPolarHBondContact CE-OD1 3.18Å; K227-D239 PolarHBondContact NZ-O 3.48Å
228M98.4Very high98Very high113 Ų11345.4 Ų45.456%0.55722%0.215SC*.Hα-helixtrans-81.1-39.8-179.6-70.5-59.1-64.100112.7D224 G225 C226D224-M228 WeakPolarHBondContact O-CG 3.41Å; D224-M228 PolarHBondContact O-N 3.17Å; D224-M228 VanDerWaalsContact O-N 3.11Å; G225-M228 PolarHBondContact O-N 3Å; G225-M228 VanDerWaalsContact O-N 3.1Å; C226-M228 PolarHBondContact O-N 3.32Å
229Y98.6Very high98Very high83 Ų8347.2 Ų47.233%0.32522%0.224SC..Hα-helixtrans-121.7-11.2-163.1-54-66.5000115.3V137 Y138 I149 N157 G225 C226V137-Y229 HydrophobicContact CG1-CD1 3.32Å; V137-Y229 HydrophobicContact CG1-CD2 4.38Å; V137-Y229 HydrophobicContact CG1-CE1 3.82Å; V137-Y229 HydrophobicContact CG1-CG 3.64Å; Y138-Y229 HydrophobicContact CD2-CD2 4.36Å; Y138-Y229 AromaticContact CD2-CE2 3.74Å; Y138-Y229 HydrophobicContact CD2-CE2 3.74Å; Y138-Y229 HydrophobicContact CG-CD2 4.19Å; Y138-Y229 AromaticContact CG-CE2 3.99Å; Y138-Y229 HydrophobicContact CG-CE2 3.99Å; I149-Y229 HydrophobicContact CD1-CD2 4.06Å; I149-Y229 HydrophobicContact CD1-CG 4.41Å; N157-Y229 PolarHBondContact ND2-O 2.89Å; G225-Y229 VanDerWaalsContact O-CD2 3.25Å; G225-Y229 WeakPolarHBondContact O-CD2 3.33Å; G225-Y229 PolarHBondContact O-N 2.83Å; C226-Y229 PolarHBondContact O-N 3.08Å
230M98.4Very high97.9Very high0 Ų050.7 Ų50.70%025%0.246CC..  trans-109.239.6179.8-62.3-68.2-74.500111.8I149 N157 L159 L167 E169 C226 R232 T233 C234I149-M230 HydrophobicContact CD1-CG 4.18Å; I149-M230 HydrophobicContact CG2-SD 4.15Å; N157-M230 HydrophobicContact CB-SD 3.58Å; N157-M230 VanDerWaalsContact CB-SD 3.58Å; N157-M230 WeakPolarHBondContact O-CE 3.18Å; N157-M230 VanDerWaalsContact O-SD 3.4Å; L159-M230 HydrophobicContact CB-CE 4.27Å; L167-M230 WeakPolarHBondContact O-CE 3.47Å; E169-M230 HydrophobicContact CG-CE 4.18Å; E169-M230 HydrophobicContact CG-SD 4.11Å; C226-M230 HydrophobicContact CB-CB 4.05Å; C226-M230 HydrophobicContact CB-CG 4.11Å; C226-M230 WeakPolarHBondContact O-CA 3.39Å; C226-M230 WeakPolarHBondContact O-CB 3.41Å; C226-M230 PolarHBondContact O-N 3.47Å; M230-R232 VanDerWaalsContact C-N 3.27Å; M230-R232 PolarHBondContact O-N 3.16Å; M230-T233 WeakPolarHBondContact O-CA 3.3Å; M230-T233 WeakPolarHBondContact O-CB 3.36Å; M230-T233 PolarHBondContact O-N 3.21Å; M230-C234 PolarHBondContact O-N 2.94Å; M230-C234 PolarHBondContact O-SG 2.82Å
231R97.6Very high97.9Very high84 Ų8451 Ų5132%0.31725%0.249SC..Hα-helixtrans-63.5-27.2-171.4-73.6-68.8-173.4-176.6-8.4113.8K227 T233 G235 N236 D239K227-R231 WeakPolarHBondContact O-CD 3.27Å; K227-R231 PolarHBondContact O-NE 3.25Å; K227-R231 PolarHBondContact O-NH2 3.08Å; R231-T233 PolarHBondContact O-N 2.88Å; R231-G235 VanDerWaalsContact CD-O 3.25Å; R231-G235 WeakPolarHBondContact CD-O 3.25Å; R231-G235 PolarHBondContact NH1-O 3.31Å; R231-G235 VanDerWaalsContact O-CA 3.24Å; R231-G235 WeakPolarHBondContact O-CA 3.47Å; R231-G235 PolarHBondContact O-N 3.39Å; R231-N236 PolarHBondContact NH1-OD1 3.05Å; R231-D239 IonicContact CZ-OD1 3.68Å; R231-D239 VanDerWaalsContact CZ-OD1 3.27Å; R231-D239 IonicContact NH1-OD1 3.56Å; R231-D239 PolarHBondContact NH1-OD1 3.34Å; R231-D239 IonicContact NH1-OD2 3.72Å; R231-D239 PolarHBondContact NH1-OD2 3.38Å; R231-D239 IonicContact NH2-OD1 3.66Å; R231-D239 PolarHBondContact NH2-OD1 3.04Å
232R97.1Very high97.9Very high195 Ų19557 Ų5774%0.73627%0.27SS*.Hα-helixtrans-69.3-26.7174-64179.6179.6172.51.5112.2E169 M230E169-R232 HydrophobicContact CB-CB 3.96Å; E169-R232 HydrophobicContact CG-CB 3.93Å; E169-R232 VanDerWaalsContact OE1-CB 3.27Å; E169-R232 WeakPolarHBondContact OE1-CB 3.31Å; E169-R232 VanDerWaalsContact OE1-CG 3.28Å; E169-R232 WeakPolarHBondContact OE1-CG 3.49Å; E169-R232 PolarHBondContact OE1-N 3.32Å; E169-R232 VanDerWaalsContact OE1-N 3.07Å; E169-R232 WeakPolarHBondContact OE2-CD 3.25Å; E169-R232 IonicContact OE2-NE 2.7Å; M230-R232 VanDerWaalsContact C-N 3.27Å; M230-R232 PolarHBondContact O-N 3.16Å
233T97.8Very high97.8Very high19 Ų1958 Ų5812%0.11728%0.281CS..Hα-helixtrans-82-59.7176.7-56.70000111.1L167 D198 M230 R231L167-T233 HydrophobicContact CD2-CG2 3.66Å; D198-T233 WeakPolarHBondContact OD1-CG2 3.37Å; M230-T233 WeakPolarHBondContact O-CA 3.3Å; M230-T233 WeakPolarHBondContact O-CB 3.36Å; M230-T233 PolarHBondContact O-N 3.21Å; R231-T233 PolarHBondContact O-N 2.88Å
234C97.7Very high97.8Very high0 Ų066 Ų660%032%0.324CS..Hα-helixtrans-90.9-15.4-170.368.80000115.1D198 M230 N236 T237 L238D198-C234 VanDerWaalsContact O-CB 3.26Å; D198-C234 WeakPolarHBondContact O-CB 3.19Å; M230-C234 PolarHBondContact O-N 2.94Å; M230-C234 PolarHBondContact O-SG 2.82Å; C234-N236 PolarHBondContact O-N 3.13Å; C234-T237 VanDerWaalsContact O-CB 3.31Å; C234-T237 WeakPolarHBondContact O-CB 3.22Å; C234-T237 PolarHBondContact O-N 2.78Å; C234-T237 PolarHBondContact O-OG1 2.92Å; C234-L238 HydrophobicContact CB-CD1 3.81Å; C234-L238 HydrophobicContact CB-CG 3.9Å
235G97Very high97.7Very high29 Ų2963.7 Ų63.730%0.29931%0.313SS..THydrogen-bonded Turntrans53.5-125.2-167.800000111.3R231R231-G235 VanDerWaalsContact CD-O 3.25Å; R231-G235 WeakPolarHBondContact CD-O 3.25Å; R231-G235 PolarHBondContact NH1-O 3.31Å; R231-G235 VanDerWaalsContact O-CA 3.24Å; R231-G235 WeakPolarHBondContact O-CA 3.47Å; R231-G235 PolarHBondContact O-N 3.39Å
236N96.9Very high97.8Very high116 Ų11664.5 Ų64.562%0.6232%0.316SS*.THydrogen-bonded Turntrans-103.37.3178.2-62.3-6.8000112.7R231 C234 L238 D239R231-N236 PolarHBondContact NH1-OD1 3.05Å; C234-N236 PolarHBondContact O-N 3.13Å; N236-L238 VanDerWaalsContact C-N 3.25Å; N236-L238 PolarHBondContact O-N 3.37Å; N236-D239 VanDerWaalsContact CB-OD2 3.29Å; N236-D239 WeakPolarHBondContact CB-OD2 3.44Å; N236-D239 VanDerWaalsContact O-CB 3.31Å; N236-D239 WeakPolarHBondContact O-CB 2.94Å; N236-D239 PolarHBondContact O-N 2.88Å
237T96.8Very high97.8Very high23 Ų2366.7 Ų66.714%0.14133%0.326CS..THydrogen-bonded Turntrans-67.1-28.7-171-44.30000112.4L202 A203 V206 C234 D239 Y246L202-T237 HydrophobicContact CD2-CG2 3.79Å; L202-T237 HydrophobicContact CG-CG2 3.66Å; A203-T237 WeakPolarHBondContact CB-OG1 3.5Å; V206-T237 HydrophobicContact CG2-CG2 4.48Å; C234-T237 VanDerWaalsContact O-CB 3.31Å; C234-T237 WeakPolarHBondContact O-CB 3.22Å; C234-T237 PolarHBondContact O-N 2.78Å; C234-T237 PolarHBondContact O-OG1 2.92Å; T237-D239 VanDerWaalsContact C-N 3.34Å; T237-Y246 HydrophobicContact CG2-CE1 4.36Å; T237-Y246 HydrophobicContact CG2-CE2 4.43Å; T237-Y246 PolarHBondContact O-OH 2.89Å
238L98.1Very high97.8Very high3 Ų364.4 Ų64.42%0.01632%0.316CS..THydrogen-bonded Turntrans-85.6-1.3175.4-59.7-178000113.5M215 I223 C226 K227 C234 N236 T240 I248M215-L238 HydrophobicContact CE-CD2 4.05Å; I223-L238 HydrophobicContact CG2-CB 4.45Å; I223-L238 HydrophobicContact CG2-CD1 4.48Å; I223-L238 HydrophobicContact CG2-CD2 4.48Å; C226-L238 HydrophobicContact CB-CD1 4.1Å; K227-L238 HydrophobicContact CB-CB 3.94Å; K227-L238 HydrophobicContact CB-CD1 4.46Å; K227-L238 WeakPolarHBondContact CD-O 3.42Å; K227-L238 HydrophobicContact CG-CB 4.31Å; C234-L238 HydrophobicContact CB-CD1 3.81Å; C234-L238 HydrophobicContact CB-CG 3.9Å; N236-L238 VanDerWaalsContact C-N 3.25Å; N236-L238 PolarHBondContact O-N 3.37Å; L238-T240 PolarHBondContact O-N 3.37Å; L238-I248 HydrophobicContact CD2-CD1 3.65Å
239D97.8Very high97.8Very high59 Ų5960.7 Ų60.732%0.31630%0.299SS..SBendtrans-65.3-29.8-178.8-72.1-21.9000112.5K227 R231 N236 T237K227-D239 VanDerWaalsContact CE-OD1 3.27Å; K227-D239 WeakPolarHBondContact CE-OD1 3.18Å; K227-D239 PolarHBondContact NZ-O 3.48Å; R231-D239 IonicContact CZ-OD1 3.68Å; R231-D239 VanDerWaalsContact CZ-OD1 3.27Å; R231-D239 IonicContact NH1-OD1 3.56Å; R231-D239 PolarHBondContact NH1-OD1 3.34Å; R231-D239 IonicContact NH1-OD2 3.72Å; R231-D239 PolarHBondContact NH1-OD2 3.38Å; R231-D239 IonicContact NH2-OD1 3.66Å; R231-D239 PolarHBondContact NH2-OD1 3.04Å; N236-D239 VanDerWaalsContact CB-OD2 3.29Å; N236-D239 WeakPolarHBondContact CB-OD2 3.44Å; N236-D239 VanDerWaalsContact O-CB 3.31Å; N236-D239 WeakPolarHBondContact O-CB 2.94Å; N236-D239 PolarHBondContact O-N 2.88Å; T237-D239 VanDerWaalsContact C-N 3.34Å
240T97.1Very high97.8Very high77 Ų7759.7 Ų59.747%0.47230%0.299SS..SBendtrans-130.5139.7176.4540000110.2L238 R242 Y246L238-T240 PolarHBondContact O-N 3.37Å; T240-R242 PolarHBondContact O-N 3.49Å; T240-R242 PolarHBondContact OG1-O 2.84Å; T240-Y246 PolarHBondContact O-OH 2.95Å; T240-Y246 PolarHBondContact OG1-OH 3.02Å
241L97.7Very high97.8Very high70 Ų7063.3 Ų63.337%0.36632%0.315SS..SBendtrans-74.6-2.1176.8-59.6-179.1000113.7Q247 I248 I250L241-Q247 CarbonylContact O-C 3.54Å; L241-Q247 WeakPolarHBondContact O-CA 3.48Å; L241-I248 HydrophobicContact CB-CB 4.24Å; L241-I248 HydrophobicContact CD2-CB 3.93Å; L241-I248 HydrophobicContact CD2-CD1 4.15Å; L241-I248 HydrophobicContact CD2-CG2 3.98Å; L241-I248 PolarHBondContact O-N 3.17Å; L241-I250 HydrophobicContact CD1-CG1 4.07Å; L241-I250 HydrophobicContact CD2-CD1 4.19Å
242R98.1Very high97.7Very high190 Ų19060.6 Ų60.672%0.71731%0.307SS*.BIsolated β-bridgetrans-149.6134.2-179.9-169.1174.7-178.2175.91.9110.7T240 Q247T240-R242 PolarHBondContact O-N 3.49Å; T240-R242 PolarHBondContact OG1-O 2.84Å; R242-Q247 HydrophobicContact CG-CB 4.47Å
243G97Very high97.7Very high24 Ų2451.8 Ų51.825%0.24728%0.275CS..  trans-132-166.2170.100000111.7C245 Y246G243-C245 VanDerWaalsContact C-N 3.34Å; G243-C245 PolarHBondContact O-N 3.49Å; G243-Y246 PolarHBondContact N-O 3Å
244D97.2Very high97.7Very high171 Ų17151.2 Ų51.291%0.91427%0.272SS*.SBendtrans-65.1-36.8-174.3-64.8-24.3000113.2
245C98.1Very high97.6Very high22 Ų2254.7 Ų54.715%0.14929%0.294CS..SBendtrans-12618.6-176.562.60000113.1P210 M212 V213 G243P210-C245 HydrophobicContact CG-CB 4.38Å; P210-C245 WeakPolarHBondContact O-CB 3.26Å; M212-C245 CarbonylContact C-O 3.52Å; M212-C245 WeakPolarHBondContact CA-O 3.49Å; V213-C245 PolarHBondContact N-O 3.1Å; G243-C245 VanDerWaalsContact C-N 3.34Å; G243-C245 PolarHBondContact O-N 3.49Å
246Y98.8Very high97.7Very high19 Ų1953.6 Ų53.68%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-151.8159175.575.4-87.7000114.4L202 V206 V213 T237 T240 G243 I248L202-Y246 HydrophobicContact CD1-CD2 4.17Å; L202-Y246 HydrophobicContact CD1-CG 4.04Å; L202-Y246 HydrophobicContact CD2-CD2 3.9Å; L202-Y246 HydrophobicContact CD2-CE2 4.29Å; L202-Y246 HydrophobicContact CG-CD2 4.47Å; V206-Y246 HydrophobicContact CG2-CD1 3.66Å; V206-Y246 HydrophobicContact CG2-CE1 4.43Å; V206-Y246 HydrophobicContact CG2-CG 4.08Å; V213-Y246 CarbonylContact O-C 3.59Å; V213-Y246 WeakPolarHBondContact O-CA 3.21Å; V213-Y246 WeakPolarHBondContact O-CB 3.49Å; T237-Y246 HydrophobicContact CG2-CE1 4.36Å; T237-Y246 HydrophobicContact CG2-CE2 4.43Å; T237-Y246 PolarHBondContact O-OH 2.89Å; T240-Y246 PolarHBondContact O-OH 2.95Å; T240-Y246 PolarHBondContact OG1-OH 3.02Å; G243-Y246 PolarHBondContact N-O 3Å; Y246-I248 HydrophobicContact CD2-CG1 4.29Å; Y246-I248 HydrophobicContact CE2-CD1 4.39Å; Y246-I248 HydrophobicContact CE2-CG1 4.39Å
247Q98.8Very high97.7Very high46 Ų4648.2 Ų48.222%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-142.8146.9167.564.1-177.3-9.400110.4M212 V213 T214 M215 L241 R242M212-Q247 HydrophobicContact SD-CG 4.49Å; V213-Q247 PolarHBondContact O-N 3.06Å; T214-Q247 WeakPolarHBondContact CA-O 3.43Å; T214-Q247 HydrophobicContact CG2-CG 4.07Å; T214-Q247 PolarHBondContact OG1-NE2 2.84Å; M215-Q247 PolarHBondContact N-O 2.55Å; L241-Q247 CarbonylContact O-C 3.54Å; L241-Q247 WeakPolarHBondContact O-CA 3.48Å; R242-Q247 HydrophobicContact CG-CB 4.47Å
248I98.8Very high97.8Very high9 Ų951.8 Ų51.85%0.04627%0.266CS..EExtended strand (participates in β ladder)trans-113.5122.8174.6-54.8174.5000107L202 M215 I223 L238 L241 Y246 I250L202-I248 HydrophobicContact CD2-CD1 3.71Å; L202-I248 HydrophobicContact CD2-CG1 3.73Å; M215-I248 HydrophobicContact CB-CG1 4.41Å; M215-I248 HydrophobicContact CE-CB 4.45Å; M215-I248 HydrophobicContact CE-CD1 3.96Å; M215-I248 HydrophobicContact CE-CG1 4.01Å; M215-I248 HydrophobicContact CE-CG2 3.67Å; M215-I248 CarbonylContact O-C 3.59Å; M215-I248 WeakPolarHBondContact O-CA 3.18Å; I223-I248 HydrophobicContact CD1-CG2 3.82Å; L238-I248 HydrophobicContact CD2-CD1 3.65Å; L241-I248 HydrophobicContact CB-CB 4.24Å; L241-I248 HydrophobicContact CD2-CB 3.93Å; L241-I248 HydrophobicContact CD2-CD1 4.15Å; L241-I248 HydrophobicContact CD2-CG2 3.98Å; L241-I248 PolarHBondContact O-N 3.17Å; Y246-I248 HydrophobicContact CD2-CG1 4.29Å; Y246-I248 HydrophobicContact CE2-CD1 4.39Å; Y246-I248 HydrophobicContact CE2-CG1 4.39Å; I248-I250 HydrophobicContact CG2-CD1 3.91Å
249L98.8Very high97.8Very high36 Ų3656.6 Ų56.619%0.18829%0.287CS..EExtended strand (participates in β ladder)trans-106.5124.5178.1-57.2178.7000108.4T214 M215 V216 E217 E251 L256T214-L249 HydrophobicContact CG2-CD1 3.66Å; T214-L249 HydrophobicContact CG2-CG 4.21Å; M215-L249 PolarHBondContact O-N 2.59Å; V216-L249 WeakPolarHBondContact CA-O 3.43Å; V216-L249 HydrophobicContact CG1-CB 4.49Å; V216-L249 HydrophobicContact CG2-CD1 4.43Å; E217-L249 PolarHBondContact N-O 2.86Å; L249-E251 HydrophobicContact CB-CG 4.1Å; L249-E251 WeakPolarHBondContact CB-OE1 3.3Å; L249-E251 PolarHBondContact O-N 3.44Å; L249-L256 HydrophobicContact CD1-CD1 4.49Å; L249-L256 HydrophobicContact CD1-CD2 3.64Å
250I98.5Very high97.9Very high62 Ų6254.2 Ų54.232%0.31827%0.274SS..EExtended strand (participates in β ladder)trans-95.480.2-178.8-47.5-66.1000108.3E217 Q220 I223 L241 I248E217-I250 CarbonylContact O-C 3.57Å; E217-I250 WeakPolarHBondContact O-CA 3.45Å; Q220-I250 HydrophobicContact CB-CG2 4.07Å; I223-I250 HydrophobicContact CD1-CD1 3.25Å; L241-I250 HydrophobicContact CD1-CG1 4.07Å; L241-I250 HydrophobicContact CD2-CD1 4.19Å; I248-I250 HydrophobicContact CG2-CD1 3.91Å
251E97.6Very high97.9Very high76 Ų7651.9 Ų51.936%0.35526%0.259SS..SBendtrans-160.4164.3-174.862-174.3126.100111.7V216 E217 L249 C253 L256V216-E251 HydrophobicContact CG1-CG 3.95Å; V216-E251 WeakPolarHBondContact CG1-O 3.45Å; E217-E251 CarbonylContact C-O 3.54Å; E217-E251 PolarHBondContact O-N 2.8Å; L249-E251 HydrophobicContact CB-CG 4.1Å; L249-E251 WeakPolarHBondContact CB-OE1 3.3Å; L249-E251 PolarHBondContact O-N 3.44Å; E251-C253 PolarHBondContact O-N 2.84Å; E251-L256 HydrophobicContact CG-CD2 4.4Å
252D96.7Very high97.9Very high27 Ų2756.5 Ų56.514%0.14428%0.279CS..  trans-65.4129.3170.6178.1-2.9000110.3I218 V254 P255I218-D252 HydrophobicContact CD1-CB 4.02Å; I218-D252 HydrophobicContact CG1-CB 4.43Å; D252-V254 VanDerWaalsContact C-N 3.3Å; D252-V254 PolarHBondContact O-N 3.06Å; D252-V254 PolarHBondContact OD1-N 3.5Å; D252-P255 HydrophobicContact CB-CG 4.25Å; D252-P255 WeakPolarHBondContact O-CD 2.76Å; D252-P255 WeakPolarHBondContact OD2-CD 3.31Å
253C97.3Very high97.9Very high9 Ų952.9 Ų52.96%0.06127%0.27CS..Hα-helixtrans-67.8-25.7-179.376.50000113.8L194 V216 E251 L256 L257L194-C253 HydrophobicContact CD2-CB 4.07Å; V216-C253 HydrophobicContact CB-CB 4.34Å; V216-C253 HydrophobicContact CG1-CB 3.94Å; E251-C253 PolarHBondContact O-N 2.84Å; C253-L256 PolarHBondContact O-N 3.06Å; C253-L257 VanDerWaalsContact O-CB 3.27Å; C253-L257 WeakPolarHBondContact O-CB 3.31Å; C253-L257 VanDerWaalsContact O-CG 3.22Å; C253-L257 WeakPolarHBondContact O-CG 3.38Å; C253-L257 PolarHBondContact O-N 2.67Å
254V96.6Very high98Very high8 Ų854.5 Ų54.55%0.04829%0.287CS..Hα-helixtrans-69.7-51.2-174.7171.30000112.3D252 L256 L257 K258 F291 L294 I295 L298D252-V254 VanDerWaalsContact C-N 3.3Å; D252-V254 PolarHBondContact O-N 3.06Å; D252-V254 PolarHBondContact OD1-N 3.5Å; V254-L256 VanDerWaalsContact C-N 3.27Å; V254-L256 PolarHBondContact O-N 3.29Å; V254-L257 PolarHBondContact O-N 2.94Å; V254-K258 HydrophobicContact CG1-CD 4.4Å; V254-K258 WeakPolarHBondContact O-CG 3.4Å; V254-K258 PolarHBondContact O-N 3.46Å; V254-F291 HydrophobicContact CG2-CE2 3.86Å; V254-F291 HydrophobicContact CG2-CZ 4.18Å; V254-L294 HydrophobicContact CG1-CD2 4.17Å; V254-I295 HydrophobicContact CG2-CG1 4.04Å; V254-L298 HydrophobicContact CG1-CD1 4.28Å
255P96.9Very high98Very high72 Ų7249.5 Ų49.547%0.46826%0.255SS..Hα-helixtrans-56.3-41171.4-26.134.4000112.9D252 K258 K259D252-P255 HydrophobicContact CB-CG 4.25Å; D252-P255 WeakPolarHBondContact O-CD 2.76Å; D252-P255 WeakPolarHBondContact OD2-CD 3.31Å; P255-K258 PolarHBondContact O-N 3.23Å; P255-K259 PolarHBondContact O-N 3.41Å
256L97.8Very high98Very high7 Ų751.5 Ų51.54%0.03727%0.267CS..Hα-helixtrans-67.9-42.5-178.9-174.766.9000112.2V216 L249 E251 C253 V254 K259 Y260V216-L256 HydrophobicContact CB-CD2 4.24Å; V216-L256 HydrophobicContact CG1-CD2 3.73Å; V216-L256 HydrophobicContact CG2-CD2 3.44Å; V216-L256 VanDerWaalsContact CG2-CD2 3.44Å; L249-L256 HydrophobicContact CD1-CD1 4.49Å; L249-L256 HydrophobicContact CD1-CD2 3.64Å; E251-L256 HydrophobicContact CG-CD2 4.4Å; C253-L256 PolarHBondContact O-N 3.06Å; V254-L256 VanDerWaalsContact C-N 3.27Å; V254-L256 PolarHBondContact O-N 3.29Å; L256-K259 HydrophobicContact CD1-CD 4.47Å; L256-K259 WeakPolarHBondContact O-CB 3.47Å; L256-K259 PolarHBondContact O-N 3.18Å; L256-Y260 HydrophobicContact CD1-CE1 3.94Å; L256-Y260 HydrophobicContact CD1-CE2 4.11Å; L256-Y260 HydrophobicContact CD2-CE2 3.84Å; L256-Y260 HydrophobicContact CG-CD2 4.2Å; L256-Y260 HydrophobicContact CG-CE1 4.37Å; L256-Y260 HydrophobicContact CG-CE2 3.64Å; L256-Y260 PolarHBondContact O-N 2.96Å
257L98.4Very high98Very high2 Ų250.7 Ų50.71%0.0126%0.264CS..Hα-helixtrans-60.8-45.3173.6-80.4170.2000111.3L192 L194 C253 V254 K259 Y260 V261 L298 V302L192-L257 HydrophobicContact CD2-CD2 3.72Å; L194-L257 HydrophobicContact CD1-CD1 3.97Å; L194-L257 HydrophobicContact CD2-CD1 4.19Å; L194-L257 HydrophobicContact CD2-CD2 4.25Å; L194-L257 HydrophobicContact CD2-CG 4.29Å; C253-L257 VanDerWaalsContact O-CB 3.27Å; C253-L257 WeakPolarHBondContact O-CB 3.31Å; C253-L257 VanDerWaalsContact O-CG 3.22Å; C253-L257 WeakPolarHBondContact O-CG 3.38Å; C253-L257 PolarHBondContact O-N 2.67Å; V254-L257 PolarHBondContact O-N 2.94Å; L257-K259 VanDerWaalsContact C-N 3.26Å; L257-K259 PolarHBondContact O-N 2.99Å; L257-Y260 PolarHBondContact O-N 2.92Å; L257-V261 WeakPolarHBondContact O-CG2 3.44Å; L257-V261 PolarHBondContact O-N 3.03Å; L257-L298 HydrophobicContact CB-CB 3.98Å; L257-L298 HydrophobicContact CB-CD1 4.02Å; L257-L298 HydrophobicContact CB-CG 4.48Å; L257-L298 HydrophobicContact CD1-CB 4.06Å; L257-L298 HydrophobicContact CG-CB 4.48Å; L257-V302 HydrophobicContact CD2-CG1 4.42Å; L257-V302 HydrophobicContact CD2-CG2 3.79Å
258K98.2Very high98Very high98 Ų9850.1 Ų50.143%0.42626%0.262SS..Hα-helixtrans-56.5-42.4174.7-74172.8179.5173.10111.2V254 P255 Q262 L298V254-K258 HydrophobicContact CG1-CD 4.4Å; V254-K258 WeakPolarHBondContact O-CG 3.4Å; V254-K258 PolarHBondContact O-N 3.46Å; P255-K258 PolarHBondContact O-N 3.23Å; K258-Q262 WeakPolarHBondContact O-CG 3.49Å; K258-Q262 PolarHBondContact O-N 3.47Å; K258-Q262 VanDerWaalsContact O-N 3.14Å; K258-L298 HydrophobicContact CG-CD1 3.94Å; K258-L298 HydrophobicContact CG-CD2 4.05Å
259K98.5Very high98Very high104 Ų10450.6 Ų50.645%0.45226%0.263SS..Hα-helixtrans-62.9-49.4175176.3-175.9170.8-174.50112P255 L256 L257 V261 Q262 E263P255-K259 PolarHBondContact O-N 3.41Å; L256-K259 HydrophobicContact CD1-CD 4.47Å; L256-K259 WeakPolarHBondContact O-CB 3.47Å; L256-K259 PolarHBondContact O-N 3.18Å; L257-K259 VanDerWaalsContact C-N 3.26Å; L257-K259 PolarHBondContact O-N 2.99Å; K259-V261 VanDerWaalsContact C-N 3.27Å; K259-V261 PolarHBondContact O-N 3.49Å; K259-Q262 WeakPolarHBondContact O-CB 3.34Å; K259-Q262 PolarHBondContact O-N 2.62Å; K259-E263 WeakPolarHBondContact CE-OE1 3.36Å; K259-E263 HydrophobicContact CG-CG 4.44Å; K259-E263 WeakPolarHBondContact CG-OE1 3.18Å; K259-E263 WeakPolarHBondContact O-CG 3.49Å; K259-E263 PolarHBondContact O-N 3.31Å
260Y98.6Very high98Very high9 Ų948.9 Ų48.94%0.03525%0.254CS..Hα-helixtrans-60.3-36.9178.6-71.5-22.4000113.1L192 L256 L257 E263 G264 R265 F267L192-Y260 HydrophobicContact CD1-CE2 4.24Å; L256-Y260 HydrophobicContact CD1-CE1 3.94Å; L256-Y260 HydrophobicContact CD1-CE2 4.11Å; L256-Y260 HydrophobicContact CD2-CE2 3.84Å; L256-Y260 HydrophobicContact CG-CD2 4.2Å; L256-Y260 HydrophobicContact CG-CE1 4.37Å; L256-Y260 HydrophobicContact CG-CE2 3.64Å; L256-Y260 PolarHBondContact O-N 2.96Å; L257-Y260 PolarHBondContact O-N 2.92Å; Y260-E263 PolarHBondContact O-N 2.94Å; Y260-G264 PolarHBondContact O-N 3.11Å; Y260-G264 VanDerWaalsContact O-N 3.11Å; Y260-R265 HydrophobicContact CD1-CB 4.29Å; Y260-R265 HydrophobicContact CD1-CG 4.48Å; Y260-R265 HydrophobicContact CG-CB 4.38Å; Y260-R265 PolarHBondContact O-N 2.99Å; Y260-R265 PolarHBondContact OH-NH1 3.42Å; Y260-F267 AromaticContact CD2-CE2 3.82Å; Y260-F267 HydrophobicContact CD2-CE2 3.82Å; Y260-F267 AromaticContact CD2-CZ 3.92Å; Y260-F267 HydrophobicContact CD2-CZ 3.92Å; Y260-F267 HydrophobicContact CE2-CE2 4.19Å; Y260-F267 AromaticContact CE2-CZ 3.81Å; Y260-F267 HydrophobicContact CE2-CZ 3.81Å; Y260-F267 HydrophobicContact CG-CE2 4.37Å
261V98.2Very high98.1Very high28 Ų2846 Ų4617%0.1724%0.239CC..Hα-helixtrans-61.2-44.9172.2167.90000111.6L257 K259 E263 G264 L298 R301 V302L257-V261 WeakPolarHBondContact O-CG2 3.44Å; L257-V261 PolarHBondContact O-N 3.03Å; K259-V261 VanDerWaalsContact C-N 3.27Å; K259-V261 PolarHBondContact O-N 3.49Å; V261-E263 VanDerWaalsContact C-N 3.32Å; V261-E263 PolarHBondContact O-N 2.74Å; V261-G264 PolarHBondContact O-N 3.19Å; V261-L298 HydrophobicContact CG2-CD2 4.08Å; V261-R301 HydrophobicContact CG2-CB 3.75Å; V261-V302 HydrophobicContact CG2-CG1 3.54Å
262Q98.1Very high98.1Very high168 Ų16842.9 Ų42.979%0.78523%0.225SC*.Hα-helixtrans-65.4-36.1178.3-70.2170.14.500112.3K258 K259 G264K258-Q262 WeakPolarHBondContact O-CG 3.49Å; K258-Q262 PolarHBondContact O-N 3.47Å; K258-Q262 VanDerWaalsContact O-N 3.14Å; K259-Q262 WeakPolarHBondContact O-CB 3.34Å; K259-Q262 PolarHBondContact O-N 2.62Å; Q262-G264 PolarHBondContact O-N 2.81Å
263E98.1Very high98.2Very high114 Ų11442.3 Ų42.353%0.53322%0.222SC..Hα-helixtrans-76.4-9.4177.3-68.6174.1172.500113.3K259 Y260 V261 R265K259-E263 WeakPolarHBondContact CE-OE1 3.36Å; K259-E263 HydrophobicContact CG-CG 4.44Å; K259-E263 WeakPolarHBondContact CG-OE1 3.18Å; K259-E263 WeakPolarHBondContact O-CG 3.49Å; K259-E263 PolarHBondContact O-N 3.31Å; Y260-E263 PolarHBondContact O-N 2.94Å; V261-E263 VanDerWaalsContact C-N 3.32Å; V261-E263 PolarHBondContact O-N 2.74Å; E263-R265 PolarHBondContact O-N 2.94Å
264G97.6Very high98.2Very high57 Ų5743.3 Ų43.359%0.58823%0.227SC*.THydrogen-bonded Turntrans66.321.4-173.100000113.2Y260 V261 Q262Y260-G264 PolarHBondContact O-N 3.11Å; Y260-G264 VanDerWaalsContact O-N 3.11Å; V261-G264 PolarHBondContact O-N 3.19Å; Q262-G264 PolarHBondContact O-N 2.81Å
265R98.3Very high97.8Very high67 Ų6744.3 Ų44.325%0.25323%0.233SC..  trans-69.3136.8177.5-173.4174.8-177.5-176.3-4.3109.4Y260 E263 F267Y260-R265 HydrophobicContact CD1-CB 4.29Å; Y260-R265 HydrophobicContact CD1-CG 4.48Å; Y260-R265 HydrophobicContact CG-CB 4.38Å; Y260-R265 PolarHBondContact O-N 2.99Å; Y260-R265 PolarHBondContact OH-NH1 3.42Å; E263-R265 PolarHBondContact O-N 2.94Å; R265-F267 HydrophobicContact CG-CE2 4.05Å; R265-F267 HydrophobicContact CG-CZ 4.12Å; R265-F267 VanDerWaalsContact NE-CZ 3.31Å
266T98.3Very high97Very high64 Ų6442.7 Ų42.739%0.39323%0.225SC..  trans-129.8154.7176.858.20000112.4V302T266-V302 CarbonylContact C-O 3.59Å; T266-V302 WeakPolarHBondContact CA-O 3.5Å
267F98.8Very high96.3Very high2 Ų248.2 Ų48.21%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-125.4143.4179.8-60-92.3000110.3E190 L192 Y260 R265 Y269 V270 V302 H304E190-F267 HydrophobicContact CB-CD1 4.25Å; L192-F267 HydrophobicContact CB-CB 4.41Å; L192-F267 HydrophobicContact CB-CD1 3.77Å; L192-F267 HydrophobicContact CB-CD2 4.02Å; L192-F267 HydrophobicContact CB-CE1 3.93Å; L192-F267 HydrophobicContact CB-CE2 4.2Å; L192-F267 HydrophobicContact CB-CG 3.8Å; L192-F267 HydrophobicContact CB-CZ 4.14Å; L192-F267 HydrophobicContact CD1-CZ 4.26Å; L192-F267 HydrophobicContact CD2-CD2 4.09Å; L192-F267 HydrophobicContact CD2-CE2 3.85Å; L192-F267 HydrophobicContact CD2-CZ 4.24Å; L192-F267 HydrophobicContact CG-CE2 4.48Å; L192-F267 HydrophobicContact CG-CZ 4.46Å; Y260-F267 AromaticContact CD2-CE2 3.82Å; Y260-F267 HydrophobicContact CD2-CE2 3.82Å; Y260-F267 AromaticContact CD2-CZ 3.92Å; Y260-F267 HydrophobicContact CD2-CZ 3.92Å; Y260-F267 HydrophobicContact CE2-CE2 4.19Å; Y260-F267 AromaticContact CE2-CZ 3.81Å; Y260-F267 HydrophobicContact CE2-CZ 3.81Å; Y260-F267 HydrophobicContact CG-CE2 4.37Å; R265-F267 HydrophobicContact CG-CE2 4.05Å; R265-F267 HydrophobicContact CG-CZ 4.12Å; R265-F267 VanDerWaalsContact NE-CZ 3.31Å; F267-Y269 VanDerWaalsContact C-N 3.25Å; F267-Y269 PolarHBondContact O-N 2.85Å; F267-V270 HydrophobicContact CB-CG2 4.19Å; F267-V302 HydrophobicContact CD2-CB 4.09Å; F267-V302 HydrophobicContact CD2-CG2 4.1Å; F267-V302 HydrophobicContact CE2-CB 4.32Å; F267-V302 HydrophobicContact CE2-CG2 4.42Å; F267-V302 PolarHBondContact N-O 2.72Å; F267-H304 WeakPolarHBondContact O-CB 3.39Å; F267-H304 PolarHBondContact O-N 3.42Å
268D98.8Very high95.3Very high34 Ų3448.6 Ų48.618%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-64-36.7172.7-68.8-87.5000110.9K189 E190 G307 K308K189-D268 HydrophobicContact CB-CB 4.14Å; K189-D268 HydrophobicContact CD-CB 3.74Å; K189-D268 WeakPolarHBondContact CD-OD1 3.13Å; K189-D268 WeakPolarHBondContact CD-OD2 3.37Å; K189-D268 HydrophobicContact CG-CB 4.45Å; K189-D268 IonicContact NZ-OD1 2.77Å; K189-D268 PolarHBondContact NZ-OD1 2.66Å; E190-D268 PolarHBondContact N-OD2 3.35Å; E190-D268 PolarHBondContact O-N 2.93Å; D268-G307 CarbonylContact O-C 3.51Å; D268-G307 WeakPolarHBondContact O-CA 3.4Å; D268-K308 PolarHBondContact O-N 2.83Å
269Y98.9Very high94.1Very high19 Ų1945.8 Ų45.88%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-135.5138.5179.1-61.7-74.2000111.1E184 Y186 K189 E190 V191 L192 F267 K308 F310E184-Y269 HydrophobicContact CB-CE1 4.17Å; E184-Y269 HydrophobicContact CG-CE1 3.87Å; E184-Y269 VanDerWaalsContact OE2-CE1 3.27Å; E184-Y269 WeakPolarHBondContact OE2-CE1 2.82Å; E184-Y269 PolarHBondContact OE2-OH 2.91Å; Y186-Y269 AromaticContact CD1-CD2 3.67Å; Y186-Y269 HydrophobicContact CD1-CD2 3.67Å; Y186-Y269 AromaticContact CD1-CE2 3.97Å; Y186-Y269 HydrophobicContact CD1-CE2 3.97Å; Y186-Y269 HydrophobicContact CD1-CG 4.34Å; Y186-Y269 HydrophobicContact CE1-CD1 4.4Å; Y186-Y269 AromaticContact CE1-CD2 3.54Å; Y186-Y269 HydrophobicContact CE1-CD2 3.54Å; Y186-Y269 HydrophobicContact CE1-CE2 4.02Å; Y186-Y269 AromaticContact CE1-CG 3.75Å; Y186-Y269 HydrophobicContact CE1-CG 3.75Å; K189-Y269 HydrophobicContact CB-CD2 4.25Å; K189-Y269 HydrophobicContact CB-CE2 4.31Å; K189-Y269 HydrophobicContact CD-CE2 4.26Å; K189-Y269 HydrophobicContact CG-CD2 4.41Å; K189-Y269 HydrophobicContact CG-CE2 3.96Å; E190-Y269 PolarHBondContact O-N 2.91Å; V191-Y269 WeakPolarHBondContact CA-O 3.42Å; V191-Y269 HydrophobicContact CG2-CD2 4.31Å; L192-Y269 PolarHBondContact N-O 3.17Å; F267-Y269 VanDerWaalsContact C-N 3.25Å; F267-Y269 PolarHBondContact O-N 2.85Å; Y269-K308 WeakPolarHBondContact CA-O 3.47Å; Y269-K308 HydrophobicContact CD1-CB 4Å; Y269-K308 HydrophobicContact CE1-CB 4.04Å; Y269-K308 HydrophobicContact CE1-CG 4.48Å; Y269-F310 HydrophobicContact CD1-CD2 4.41Å; Y269-F310 AromaticContact CD1-CE2 3.65Å; Y269-F310 HydrophobicContact CD1-CE2 3.65Å; Y269-F310 HydrophobicContact CE1-CE2 4Å
270V98.9Very high93.2Very high0 Ų042.9 Ų42.90%024%0.239CC..EExtended strand (participates in β ladder)trans-120.7124.9168.3-179.80000107.4L192 L194 F267 V302 L303 K308 Y309 F310L192-V270 HydrophobicContact CB-CG2 4.31Å; L192-V270 HydrophobicContact CD2-CG1 4.37Å; L192-V270 HydrophobicContact CD2-CG2 4.49Å; L192-V270 CarbonylContact O-C 3.56Å; L192-V270 WeakPolarHBondContact O-CA 3.49Å; L194-V270 HydrophobicContact CD1-CG1 4.4Å; F267-V270 HydrophobicContact CB-CG2 4.19Å; V270-V302 HydrophobicContact CG2-CG2 4.08Å; V270-L303 HydrophobicContact CB-CD1 4.29Å; V270-L303 HydrophobicContact CG2-CD1 3.86Å; V270-K308 PolarHBondContact N-O 2.92Å; V270-Y309 HydrophobicContact CB-CD2 4.06Å; V270-Y309 HydrophobicContact CG1-CD2 3.94Å; V270-Y309 HydrophobicContact CG1-CE2 4.26Å; V270-Y309 CarbonylContact O-C 3.56Å; V270-Y309 VanDerWaalsContact O-CA 3.24Å; V270-Y309 WeakPolarHBondContact O-CA 3.35Å; V270-F310 PolarHBondContact O-N 3.34Å
271I98.9Very high92Very high0 Ų046.7 Ų46.70%026%0.263CS..EExtended strand (participates in β ladder)trans-117113.6-179.6-52.9178.1000107.2I178 T179 V191 L192 I193 L194 I201 L205 F310I178-I271 HydrophobicContact CD1-CG2 4.19Å; I178-I271 HydrophobicContact CG1-CG2 3.85Å; I178-I271 HydrophobicContact CG2-CG2 4.49Å; T179-I271 HydrophobicContact CG2-CD1 4.09Å; V191-I271 HydrophobicContact CG1-CD1 4.08Å; V191-I271 HydrophobicContact CG1-CG1 4.33Å; L192-I271 PolarHBondContact O-N 2.86Å; I193-I271 CarbonylContact C-O 3.52Å; I193-I271 WeakPolarHBondContact CA-O 3.38Å; I193-I271 HydrophobicContact CG1-CB 4.49Å; L194-I271 PolarHBondContact N-O 2.92Å; I201-I271 HydrophobicContact CD1-CG2 3.92Å; I201-I271 HydrophobicContact CG2-CD1 3.88Å; L205-I271 HydrophobicContact CD1-CD1 3.89Å; I271-F310 WeakPolarHBondContact CA-O 3.4Å; I271-F310 HydrophobicContact CG1-CB 4.46Å; I271-F310 HydrophobicContact CG1-CD2 4.33Å; I271-F310 HydrophobicContact CG2-CB 4.41Å
272N98.7Very high90.5Very high12 Ų1248.1 Ų48.16%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-93.5109.3175.2-179.1-2.5000109L194 L274 Y309 F310 T311L194-N272 HydrophobicContact CD1-CB 4.34Å; N272-L274 VanDerWaalsContact OD1-CB 3.31Å; N272-L274 WeakPolarHBondContact OD1-CB 3.37Å; N272-L274 WeakPolarHBondContact OD1-CD1 3.3Å; N272-L274 WeakPolarHBondContact OD1-CG 3.46Å; N272-L274 PolarHBondContact OD1-N 2.79Å; N272-L274 VanDerWaalsContact OD1-N 3.13Å; N272-Y309 HydrophobicContact CB-CE2 3.69Å; N272-Y309 WeakPolarHBondContact CB-OH 3.28Å; N272-Y309 PolarHBondContact ND2-OH 2.86Å; N272-F310 PolarHBondContact N-O 2.95Å; N272-T311 WeakPolarHBondContact O-CA 3.38Å; N272-T311 PolarHBondContact O-OG1 2.88Å
273D98.4Very high88.4Confident15 Ų1546.4 Ų46.48%0.0828%0.277CS..EExtended strand (participates in β ladder)trans-122.737.9179.8-163.832.4000110.2Y174 I178 I193 L194 G196 I201Y174-D273 VanDerWaalsContact CE1-OD1 3.31Å; Y174-D273 WeakPolarHBondContact CE1-OD1 3.46Å; Y174-D273 VanDerWaalsContact CZ-OD1 3.3Å; Y174-D273 PolarHBondContact OH-OD1 2.8Å; I178-D273 HydrophobicContact CD1-CB 4.03Å; I178-D273 WeakPolarHBondContact CD1-OD1 3.28Å; I193-D273 HydrophobicContact CG2-CB 4.48Å; L194-D273 CarbonylContact O-C 3.46Å; L194-D273 VanDerWaalsContact O-CA 3.29Å; L194-D273 WeakPolarHBondContact O-CA 3.42Å; L194-D273 PolarHBondContact O-N 2.94Å; G196-D273 WeakPolarHBondContact CA-OD2 3.48Å; G196-D273 PolarHBondContact N-O 3Å; G196-D273 VanDerWaalsContact N-O 3.15Å; I201-D273 HydrophobicContact CD1-CB 3.66Å; I201-D273 VanDerWaalsContact CD1-CG 3.47Å; I201-D273 WeakPolarHBondContact CD1-OD2 3.37Å
274L96.7Very high86.2Confident30 Ų3049 Ų4916%0.15729%0.29CS..  trans-74.5160.6173.2-62.5170000110.4L194 N272 P278 I295L194-L274 HydrophobicContact CB-CD1 4.34Å; L194-L274 HydrophobicContact CB-CD2 4.26Å; L194-L274 HydrophobicContact CB-CG 4.11Å; L194-L274 PolarHBondContact O-N 3.4Å; N272-L274 VanDerWaalsContact OD1-CB 3.31Å; N272-L274 WeakPolarHBondContact OD1-CB 3.37Å; N272-L274 WeakPolarHBondContact OD1-CD1 3.3Å; N272-L274 WeakPolarHBondContact OD1-CG 3.46Å; N272-L274 PolarHBondContact OD1-N 2.79Å; N272-L274 VanDerWaalsContact OD1-N 3.13Å; L274-P278 HydrophobicContact CB-CB 4.35Å; L274-P278 HydrophobicContact CB-CG 4.31Å; L274-P278 HydrophobicContact CD1-CB 4.16Å; L274-P278 HydrophobicContact CD1-CG 4.35Å; L274-I295 HydrophobicContact CD1-CD1 3.91Å; L274-I295 HydrophobicContact CD1-CG2 4.06Å
275T88.6Confident84.4Confident28 Ų2849 Ų4917%0.17227%0.274CS..  trans-54.615216947.60000111.3L161 I277L161-T275 HydrophobicContact CD1-CG2 3.85Å; T275-I277 CarbonylContact O-C 3.57Å; T275-I277 PolarHBondContact O-N 2.81Å; T275-I277 VanDerWaalsContact O-N 3.09Å; T275-I277 PolarHBondContact OG1-O 3.38Å
276A81.1Confident82.6Confident38 Ų3853.7 Ų53.731%0.31430%0.304SS..SBendtrans-52.9-36.4-177.900000112.8
277I82.3Confident81.8Confident123 Ų12353 Ų5363%0.63130%0.302SS*.SBendtrans-108.2105.6163.5-57.1175.2000106.5T275 M288T275-I277 CarbonylContact O-C 3.57Å; T275-I277 PolarHBondContact O-N 2.81Å; T275-I277 VanDerWaalsContact O-N 3.09Å; T275-I277 PolarHBondContact OG1-O 3.38Å; I277-M288 HydrophobicContact CG1-SD 4.29Å
278P76.9Confident81.2Confident11 Ų1156.8 Ų56.87%0.07132%0.321CS..  trans-62.7143.8179.8-22.733.7000111.2L274 S280 F291 L292 I295L274-P278 HydrophobicContact CB-CB 4.35Å; L274-P278 HydrophobicContact CB-CG 4.31Å; L274-P278 HydrophobicContact CD1-CB 4.16Å; L274-P278 HydrophobicContact CD1-CG 4.35Å; P278-S280 PolarHBondContact O-N 2.93Å; P278-F291 HydrophobicContact CB-CD1 4.16Å; P278-F291 HydrophobicContact CB-CE1 3.64Å; P278-F291 HydrophobicContact CB-CZ 4.46Å; P278-F291 HydrophobicContact CG-CE1 4.49Å; P278-L292 HydrophobicContact CG-CD2 3.79Å; P278-I295 HydrophobicContact CB-CD1 3.81Å; P278-I295 HydrophobicContact CG-CD1 3.9Å
279I74.1Confident80.7Confident39 Ų3958 Ų5820%0.232%0.323CS..  trans-72.9126.6179.2-59.5170.5000108.5Y144 I218Y144-I279 HydrophobicContact CD1-CG2 4.04Å; I218-I279 HydrophobicContact CD1-CG2 4.22Å; I218-I279 HydrophobicContact CG2-CD1 4.1Å
280S79.8Confident80.3Confident43 Ų4360.8 Ų60.830%0.30134%0.336SS..  trans-114.6132.9172.5-1740000110.5P278 S282 E285P278-S280 PolarHBondContact O-N 2.93Å; S280-S282 VanDerWaalsContact C-N 3.34Å; S280-S282 PolarHBondContact OG-N 3.2Å; S280-S282 PolarHBondContact OG-O 3.47Å; S280-E285 WeakPolarHBondContact CB-OE2 3.13Å; S280-E285 PolarHBondContact OG-OE1 2.81Å; S280-E285 PolarHBondContact OG-OE2 2.98Å; S280-E285 VanDerWaalsContact OG-OE2 3.12Å
281T72.6Confident79.9Confident89 Ų8961.2 Ų61.255%0.54634%0.338SS..  trans-92.92.4170.363.90000112.4Y144 I218Y144-T281 HydrophobicContact CE1-CG2 4.32Å; I218-T281 HydrophobicContact CD1-CG2 4.08Å
282S66.6Low79.6Confident57 Ų5762.4 Ų62.440%0.39934%0.344SS..  trans-113.2132.5-173.9-60.60000111.5S280 E284S280-S282 VanDerWaalsContact C-N 3.34Å; S280-S282 PolarHBondContact OG-N 3.2Å; S280-S282 PolarHBondContact OG-O 3.47Å; S282-E284 PolarHBondContact O-N 3.17Å
283P54.8Low79.4Confident132 Ų13265.3 Ų65.386%0.85736%0.355SS*.THydrogen-bonded Turntrans-77.73.617631.6-34.6000114E285P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 3.43Å
284E52Low79.3Confident170 Ų17067 Ų6779%0.79436%0.363SS*.THydrogen-bonded Turntrans-85.65.4-169.7-62.6-173.3172.900114.6S282S282-E284 PolarHBondContact O-N 3.17Å
285E59.8Low79.3Confident56 Ų5665.6 Ų65.626%0.26236%0.356SS..  trans-99.698.7-175.2-72.2155.5-152.500111.3S280 P283 S287 F291S280-E285 WeakPolarHBondContact CB-OE2 3.13Å; S280-E285 PolarHBondContact OG-OE1 2.81Å; S280-E285 PolarHBondContact OG-OE2 2.98Å; S280-E285 VanDerWaalsContact OG-OE2 3.12Å; P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 3.43Å; E285-S287 PolarHBondContact O-N 2.86Å; E285-F291 HydrophobicContact CB-CB 4.4Å; E285-F291 VanDerWaalsContact CD-CE2 3.45Å; E285-F291 HydrophobicContact CG-CB 4.06Å; E285-F291 HydrophobicContact CG-CD2 3.93Å; E285-F291 HydrophobicContact CG-CG 4.19Å; E285-F291 WeakPolarHBondContact OE1-CD2 3.48Å; E285-F291 WeakPolarHBondContact OE1-CE2 3.45Å; E285-F291 WeakPolarHBondContact OE2-CB 3.46Å; E285-F291 VanDerWaalsContact OE2-CD1 3.23Å; E285-F291 WeakPolarHBondContact OE2-CD1 3.45Å; E285-F291 WeakPolarHBondContact OE2-CD2 3.41Å; E285-F291 WeakPolarHBondContact OE2-CG 3.44Å
286D59.4Low79.7Confident166 Ų16664.4 Ų64.489%0.88835%0.349SS*.SBendtrans-64.5-18.5-177.8-69.6-37.6000113.6
287S82.1Confident80.5Confident49 Ų4963.6 Ų63.634%0.34334%0.339SS..  trans-158.9153.3169.881.50000114E285 W289 E290 F291E285-S287 PolarHBondContact O-N 2.86Å; S287-W289 VanDerWaalsContact C-N 3.25Å; S287-W289 PolarHBondContact O-N 3.44Å; S287-E290 PolarHBondContact O-N 2.91Å; S287-E290 VanDerWaalsContact O-N 3.09Å; S287-E290 WeakPolarHBondContact OG-CG 3.44Å; S287-E290 PolarHBondContact OG-N 3.35Å; S287-F291 PolarHBondContact O-N 3.42Å; S287-F291 VanDerWaalsContact O-N 3.16Å
288M85.8Confident81.2Confident81 Ų8158 Ų5840%0.39931%0.311SS..Hα-helixtrans-52-40.1174.6-177.8-169.478.100113I277 F291 L292I277-M288 HydrophobicContact CG1-SD 4.29Å; M288-F291 PolarHBondContact O-N 3Å; M288-L292 HydrophobicContact CE-CD1 4.36Å; M288-L292 HydrophobicContact CG-CD1 4.26Å; M288-L292 WeakPolarHBondContact O-CG 3.44Å; M288-L292 PolarHBondContact O-N 3.04Å
289W89.3Confident82.3Confident60 Ų6057.5 Ų57.523%0.22731%0.307CS..Hα-helixtrans-68.8-35.3-179.4-65.5115.1000112.7S287 F291 L292 R293 A321 L324 Q328S287-W289 VanDerWaalsContact C-N 3.25Å; S287-W289 PolarHBondContact O-N 3.44Å; W289-F291 VanDerWaalsContact C-N 3.33Å; W289-L292 HydrophobicContact CE3-CD1 3.77Å; W289-L292 HydrophobicContact CZ3-CD1 3.86Å; W289-R293 VanDerWaalsContact O-CB 3.27Å; W289-R293 WeakPolarHBondContact O-CB 3.29Å; W289-R293 PolarHBondContact O-N 3.03Å; W289-A321 HydrophobicContact CH2-CB 4.37Å; W289-A321 VanDerWaalsContact CH2-O 3.31Å; W289-A321 WeakPolarHBondContact CH2-O 3.34Å; W289-L324 HydrophobicContact CD2-CB 4.27Å; W289-L324 HydrophobicContact CE3-CB 4.37Å; W289-L324 HydrophobicContact CH2-CB 3.7Å; W289-L324 HydrophobicContact CZ2-CB 3.55Å; W289-L324 HydrophobicContact CZ2-CD1 3.72Å; W289-L324 HydrophobicContact CZ2-CG 4.3Å; W289-L324 HydrophobicContact CZ3-CB 4.11Å; W289-Q328 HydrophobicContact CE3-CG 4.25Å
290E90Very high83.4Confident77 Ų7755.8 Ų55.836%0.3630%0.299SS..Hα-helixtrans-68-36.4174.8-69.5-58.7138.600111.2S287 R293 L294S287-E290 PolarHBondContact O-N 2.91Å; S287-E290 VanDerWaalsContact O-N 3.09Å; S287-E290 WeakPolarHBondContact OG-CG 3.44Å; S287-E290 PolarHBondContact OG-N 3.35Å; E290-R293 PolarHBondContact O-N 3.38Å; E290-R293 IonicContact OE1-NE 3.37Å; E290-R293 IonicContact OE2-CZ 3.92Å; E290-R293 IonicContact OE2-NE 4Å; E290-R293 PolarHBondContact OE2-NE 3.25Å; E290-R293 IonicContact OE2-NH2 2.66Å; E290-R293 PolarHBondContact OE2-NH2 3.11Å; E290-L294 WeakPolarHBondContact O-CB 3.48Å; E290-L294 PolarHBondContact O-N 2.92Å
291F90.9Very high84.3Confident10 Ų1059.7 Ų59.74%0.04431%0.307CS..Hα-helixtrans-67.8-46174.7-173.6-141.4000112.7V254 P278 E285 S287 M288 W289 R293 L294 I295V254-F291 HydrophobicContact CG2-CE2 3.86Å; V254-F291 HydrophobicContact CG2-CZ 4.18Å; P278-F291 HydrophobicContact CB-CD1 4.16Å; P278-F291 HydrophobicContact CB-CE1 3.64Å; P278-F291 HydrophobicContact CB-CZ 4.46Å; P278-F291 HydrophobicContact CG-CE1 4.49Å; E285-F291 HydrophobicContact CB-CB 4.4Å; E285-F291 VanDerWaalsContact CD-CE2 3.45Å; E285-F291 HydrophobicContact CG-CB 4.06Å; E285-F291 HydrophobicContact CG-CD2 3.93Å; E285-F291 HydrophobicContact CG-CG 4.19Å; E285-F291 WeakPolarHBondContact OE1-CD2 3.48Å; E285-F291 WeakPolarHBondContact OE1-CE2 3.45Å; E285-F291 WeakPolarHBondContact OE2-CB 3.46Å; E285-F291 VanDerWaalsContact OE2-CD1 3.23Å; E285-F291 WeakPolarHBondContact OE2-CD1 3.45Å; E285-F291 WeakPolarHBondContact OE2-CD2 3.41Å; E285-F291 WeakPolarHBondContact OE2-CG 3.44Å; S287-F291 PolarHBondContact O-N 3.42Å; S287-F291 VanDerWaalsContact O-N 3.16Å; M288-F291 PolarHBondContact O-N 3Å; W289-F291 VanDerWaalsContact C-N 3.33Å; F291-R293 VanDerWaalsContact C-N 3.28Å; F291-R293 PolarHBondContact O-N 2.91Å; F291-L294 HydrophobicContact CD2-CD2 4.25Å; F291-L294 HydrophobicContact CE2-CD2 4.49Å; F291-L294 WeakPolarHBondContact O-CB 3.39Å; F291-L294 PolarHBondContact O-N 3.45Å; F291-L294 VanDerWaalsContact O-N 3.11Å; F291-I295 HydrophobicContact CD1-CD1 4.22Å; F291-I295 HydrophobicContact CD2-CD1 4.28Å; F291-I295 HydrophobicContact CD2-CG1 4.46Å; F291-I295 HydrophobicContact CE1-CD1 3.98Å; F291-I295 HydrophobicContact CE2-CD1 4.03Å; F291-I295 HydrophobicContact CE2-CG1 4.25Å; F291-I295 HydrophobicContact CG-CD1 4.39Å; F291-I295 HydrophobicContact CZ-CD1 3.87Å; F291-I295 PolarHBondContact O-N 2.89Å
292L92.5Very high85.5Confident24 Ų2455.4 Ų55.413%0.12628%0.281CS..Hα-helixtrans-57.4-43.7173-71.7171.7000111.1P278 M288 W289 L294 I295 L296P278-L292 HydrophobicContact CG-CD2 3.79Å; M288-L292 HydrophobicContact CE-CD1 4.36Å; M288-L292 HydrophobicContact CG-CD1 4.26Å; M288-L292 WeakPolarHBondContact O-CG 3.44Å; M288-L292 PolarHBondContact O-N 3.04Å; W289-L292 HydrophobicContact CE3-CD1 3.77Å; W289-L292 HydrophobicContact CZ3-CD1 3.86Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 2.79Å; L292-I295 PolarHBondContact O-N 2.8Å; L292-L296 WeakPolarHBondContact O-CB 3.47Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.43Å; L292-L296 PolarHBondContact O-N 3.28Å
293R95Very high87Confident73 Ų7352.8 Ų52.828%0.27526%0.262SS..Hα-helixtrans-62.1-39.3176.2-171.5-177.466.372.83.1112W289 E290 F291 L296 D297 Q328 L332W289-R293 VanDerWaalsContact O-CB 3.27Å; W289-R293 WeakPolarHBondContact O-CB 3.29Å; W289-R293 PolarHBondContact O-N 3.03Å; E290-R293 PolarHBondContact O-N 3.38Å; E290-R293 IonicContact OE1-NE 3.37Å; E290-R293 IonicContact OE2-CZ 3.92Å; E290-R293 IonicContact OE2-NE 4Å; E290-R293 PolarHBondContact OE2-NE 3.25Å; E290-R293 IonicContact OE2-NH2 2.66Å; E290-R293 PolarHBondContact OE2-NH2 3.11Å; F291-R293 VanDerWaalsContact C-N 3.28Å; F291-R293 PolarHBondContact O-N 2.91Å; R293-L296 PolarHBondContact O-N 3Å; R293-D297 WeakPolarHBondContact O-CB 3.26Å; R293-D297 PolarHBondContact O-N 3.08Å; R293-Q328 HydrophobicContact CB-CB 4.24Å; R293-Q328 HydrophobicContact CB-CG 4.44Å; R293-Q328 HydrophobicContact CG-CB 4.38Å; R293-L332 HydrophobicContact CG-CD2 4.26Å
294L95.3Very high89.1Confident50 Ų5049.8 Ų49.826%0.26224%0.236SC..Hα-helixtrans-60.2-49.5175.2173.864000111.2V254 E290 F291 L292 D297 L298V254-L294 HydrophobicContact CG1-CD2 4.17Å; E290-L294 WeakPolarHBondContact O-CB 3.48Å; E290-L294 PolarHBondContact O-N 2.92Å; F291-L294 HydrophobicContact CD2-CD2 4.25Å; F291-L294 HydrophobicContact CE2-CD2 4.49Å; F291-L294 WeakPolarHBondContact O-CB 3.39Å; F291-L294 PolarHBondContact O-N 3.45Å; F291-L294 VanDerWaalsContact O-N 3.11Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 2.79Å; L294-D297 PolarHBondContact O-N 2.83Å; L294-L298 HydrophobicContact CD1-CD1 3.91Å; L294-L298 HydrophobicContact CD1-CG 4.13Å; L294-L298 HydrophobicContact CG-CD1 4.12Å; L294-L298 WeakPolarHBondContact O-CB 3.34Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.43Å; L294-L298 PolarHBondContact O-N 2.89Å
295I96.2Very high91.3Very high2 Ų246 Ų461%0.0123%0.226CC..Hα-helixtrans-62.5-44.6179-65.3164.2000110.5L194 V254 L274 P278 F291 L292 L298 S299L194-I295 HydrophobicContact CD1-CG2 4.16Å; V254-I295 HydrophobicContact CG2-CG1 4.04Å; L274-I295 HydrophobicContact CD1-CD1 3.91Å; L274-I295 HydrophobicContact CD1-CG2 4.06Å; P278-I295 HydrophobicContact CB-CD1 3.81Å; P278-I295 HydrophobicContact CG-CD1 3.9Å; F291-I295 HydrophobicContact CD1-CD1 4.22Å; F291-I295 HydrophobicContact CD2-CD1 4.28Å; F291-I295 HydrophobicContact CD2-CG1 4.46Å; F291-I295 HydrophobicContact CE1-CD1 3.98Å; F291-I295 HydrophobicContact CE2-CD1 4.03Å; F291-I295 HydrophobicContact CE2-CG1 4.25Å; F291-I295 HydrophobicContact CG-CD1 4.39Å; F291-I295 HydrophobicContact CZ-CD1 3.87Å; F291-I295 PolarHBondContact O-N 2.89Å; L292-I295 PolarHBondContact O-N 2.8Å; I295-L298 PolarHBondContact O-N 2.85Å; I295-S299 VanDerWaalsContact O-CB 3.24Å; I295-S299 WeakPolarHBondContact O-CB 3.27Å; I295-S299 PolarHBondContact O-N 2.87Å; I295-S299 PolarHBondContact O-OG 3.21Å
296L97.1Very high93Very high3 Ų352.3 Ų52.32%0.01625%0.253CS..Hα-helixtrans-59.8-47.8176.7-73.9168.9000111.9L292 R293 S299 V300 Y309 Y325 Q328 L329 L332L292-L296 WeakPolarHBondContact O-CB 3.47Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.43Å; L292-L296 PolarHBondContact O-N 3.28Å; R293-L296 PolarHBondContact O-N 3Å; L296-S299 PolarHBondContact O-N 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.46Å; L296-V300 PolarHBondContact O-N 3.24Å; L296-Y309 HydrophobicContact CD2-CE1 3.77Å; L296-Y309 WeakPolarHBondContact CD2-OH 3.35Å; L296-Y325 HydrophobicContact CD1-CE2 3.93Å; L296-Y325 HydrophobicContact CD2-CE2 4.4Å; L296-Y325 WeakPolarHBondContact CD2-OH 2.91Å; L296-Q328 HydrophobicContact CD1-CB 4.15Å; L296-L329 HydrophobicContact CD1-CD2 4.2Å; L296-L329 HydrophobicContact CD2-CD2 4.1Å; L296-L332 HydrophobicContact CB-CD1 4.35Å; L296-L332 HydrophobicContact CB-CD2 3.76Å
297D97.9Very high94.9Very high20 Ų2044.6 Ų44.611%0.10721%0.212CC..Hα-helixtrans-62.6-47.1-179.1-174.165.5000111.4R293 L294 S299 V300 R301 L332 S333R293-D297 WeakPolarHBondContact O-CB 3.26Å; R293-D297 PolarHBondContact O-N 3.08Å; L294-D297 PolarHBondContact O-N 2.83Å; D297-S299 PolarHBondContact O-N 3.49Å; D297-V300 PolarHBondContact O-N 3.32Å; D297-R301 WeakPolarHBondContact O-CB 3.35Å; D297-R301 WeakPolarHBondContact O-CG 3.43Å; D297-R301 PolarHBondContact O-N 2.87Å; D297-R301 WeakPolarHBondContact OD2-CD 3.34Å; D297-R301 IonicContact OD2-NH1 3.7Å; D297-L332 HydrophobicContact CB-CD2 4.17Å; D297-S333 WeakPolarHBondContact OD1-CB 3.3Å; D297-S333 PolarHBondContact OD1-N 2.83Å; D297-S333 PolarHBondContact OD1-OG 2.97Å
298L98.3Very high95.7Very high7 Ų745.2 Ų45.24%0.03721%0.209CC..Hα-helixtrans-61.3-43.8176.7-74177.8000112.2V254 L257 K258 V261 L294 I295 V300 R301 V302V254-L298 HydrophobicContact CG1-CD1 4.28Å; L257-L298 HydrophobicContact CB-CB 3.98Å; L257-L298 HydrophobicContact CB-CD1 4.02Å; L257-L298 HydrophobicContact CB-CG 4.48Å; L257-L298 HydrophobicContact CD1-CB 4.06Å; L257-L298 HydrophobicContact CG-CB 4.48Å; K258-L298 HydrophobicContact CG-CD1 3.94Å; K258-L298 HydrophobicContact CG-CD2 4.05Å; V261-L298 HydrophobicContact CG2-CD2 4.08Å; L294-L298 HydrophobicContact CD1-CD1 3.91Å; L294-L298 HydrophobicContact CD1-CG 4.13Å; L294-L298 HydrophobicContact CG-CD1 4.12Å; L294-L298 WeakPolarHBondContact O-CB 3.34Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.43Å; L294-L298 PolarHBondContact O-N 2.89Å; I295-L298 PolarHBondContact O-N 2.85Å; L298-V300 PolarHBondContact O-N 3.35Å; L298-R301 PolarHBondContact O-N 3.42Å; L298-V302 PolarHBondContact O-N 2.83Å; L298-V302 VanDerWaalsContact O-N 3.12Å
299S98.4Very high96.3Very high0 Ų041.4 Ų41.40%019%0.19CC..Hα-helixtrans-60.1-45.8177.4-63.80000111.7L194 I295 L296 D297 R301 V302 L303L194-S299 WeakPolarHBondContact CD1-OG 3.33Å; I295-S299 VanDerWaalsContact O-CB 3.24Å; I295-S299 WeakPolarHBondContact O-CB 3.27Å; I295-S299 PolarHBondContact O-N 2.87Å; I295-S299 PolarHBondContact O-OG 3.21Å; L296-S299 PolarHBondContact O-N 3.28Å; D297-S299 PolarHBondContact O-N 3.49Å; S299-R301 VanDerWaalsContact C-N 3.34Å; S299-R301 PolarHBondContact O-N 2.93Å; S299-V302 VanDerWaalsContact O-CG2 3.29Å; S299-V302 WeakPolarHBondContact O-CG2 3.33Å; S299-V302 PolarHBondContact O-N 2.83Å; S299-L303 PolarHBondContact O-N 3.03Å; S299-L303 VanDerWaalsContact O-N 3.1Å
300V97.9Very high96.7Very high3 Ų338.6 Ų38.62%0.01818%0.18CC..Hα-helixtrans-66.7-36176.7172.60000110.9L296 D297 L298 V302 L303 L332 C334 V336 K359L296-V300 WeakPolarHBondContact O-CG2 3.46Å; L296-V300 PolarHBondContact O-N 3.24Å; D297-V300 PolarHBondContact O-N 3.32Å; L298-V300 PolarHBondContact O-N 3.35Å; V300-V302 VanDerWaalsContact C-N 3.34Å; V300-V302 PolarHBondContact O-N 2.81Å; V300-L303 VanDerWaalsContact O-CB 3.3Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 3.28Å; V300-L332 HydrophobicContact CB-CD1 4.49Å; V300-L332 HydrophobicContact CG2-CD1 3.81Å; V300-C334 HydrophobicContact CG1-CB 3.86Å; V300-V336 HydrophobicContact CG1-CG1 3.91Å; V300-V336 HydrophobicContact CG2-CG1 4.04Å; V300-K359 HydrophobicContact CG1-CG 4.09Å; V300-K359 WeakPolarHBondContact O-CE 3.43Å; V300-K359 PolarHBondContact O-NZ 3.1Å
301R98.2Very high97.2Very high124 Ų12435.3 Ų35.347%0.46817%0.165SC..Hα-helixtrans-65-34.7178.2-73.8173.269.3179.75113.2V261 D297 L298 S299 L303V261-R301 HydrophobicContact CG2-CB 3.75Å; D297-R301 WeakPolarHBondContact O-CB 3.35Å; D297-R301 WeakPolarHBondContact O-CG 3.43Å; D297-R301 PolarHBondContact O-N 2.87Å; D297-R301 WeakPolarHBondContact OD2-CD 3.34Å; D297-R301 IonicContact OD2-NH1 3.7Å; L298-R301 PolarHBondContact O-N 3.42Å; S299-R301 VanDerWaalsContact C-N 3.34Å; S299-R301 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact C-N 3.33Å
302V98.6Very high97.5Very high0 Ų035.9 Ų35.90%017%0.168CC..THydrogen-bonded Turntrans-86.2-1.6172.4-55.20000113.4L192 L257 V261 T266 F267 V270 L298 S299 V300L192-V302 HydrophobicContact CD2-CG2 4.1Å; L257-V302 HydrophobicContact CD2-CG1 4.42Å; L257-V302 HydrophobicContact CD2-CG2 3.79Å; V261-V302 HydrophobicContact CG2-CG1 3.54Å; T266-V302 CarbonylContact C-O 3.59Å; T266-V302 WeakPolarHBondContact CA-O 3.5Å; F267-V302 HydrophobicContact CD2-CB 4.09Å; F267-V302 HydrophobicContact CD2-CG2 4.1Å; F267-V302 HydrophobicContact CE2-CB 4.32Å; F267-V302 HydrophobicContact CE2-CG2 4.42Å; F267-V302 PolarHBondContact N-O 2.72Å; V270-V302 HydrophobicContact CG2-CG2 4.08Å; L298-V302 PolarHBondContact O-N 2.83Å; L298-V302 VanDerWaalsContact O-N 3.12Å; S299-V302 VanDerWaalsContact O-CG2 3.29Å; S299-V302 WeakPolarHBondContact O-CG2 3.33Å; S299-V302 PolarHBondContact O-N 2.83Å; V300-V302 VanDerWaalsContact C-N 3.34Å; V300-V302 PolarHBondContact O-N 2.81Å
303L98.7Very high97.7Very high1 Ų135.6 Ų35.61%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-77.2132.5176.4-168.665.5000110.7V270 S299 V300 R301 K308 K359V270-L303 HydrophobicContact CB-CD1 4.29Å; V270-L303 HydrophobicContact CG2-CD1 3.86Å; S299-L303 PolarHBondContact O-N 3.03Å; S299-L303 VanDerWaalsContact O-N 3.1Å; V300-L303 VanDerWaalsContact O-CB 3.3Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 3.28Å; R301-L303 VanDerWaalsContact C-N 3.33Å; L303-K308 WeakPolarHBondContact CD1-O 3.47Å; L303-K359 WeakPolarHBondContact O-CE 3.3Å; L303-K359 PolarHBondContact O-NZ 2.88Å
304H98.3Very high97.8Very high69 Ų6934 Ų3432%0.31917%0.167SC..EExtended strand (participates in β ladder)trans-58.2147.6171.8-177.4-93.6000110.4F267 K306 G307F267-H304 WeakPolarHBondContact O-CB 3.39Å; F267-H304 PolarHBondContact O-N 3.42Å; H304-K306 PolarHBondContact ND1-N 2.89Å; H304-K306 PolarHBondContact O-N 2.87Å; H304-G307 WeakPolarHBondContact O-CA 3.35Å; H304-G307 PolarHBondContact O-N 2.86Å
305P97.1Very high98Very high90 Ų9031.6 Ų31.658%0.58416%0.155SC*.EExtended strand (participates in β ladder)trans-55.3-27.8-177.7-30.237000115.7
306K96.7Very high98.1Very high190 Ų19033.3 Ų33.383%0.82617%0.165SC*.EExtended strand (participates in β ladder)trans-103.68.9175-60.8-175.1177.7-178.70113.5H304H304-K306 PolarHBondContact ND1-N 2.89Å; H304-K306 PolarHBondContact O-N 2.87Å
307G98.3Very high98.1Very high3 Ų337.5 Ų37.53%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-80.7170.2-177.600000112.6D268 H304D268-G307 CarbonylContact O-C 3.51Å; D268-G307 WeakPolarHBondContact O-CA 3.4Å; H304-G307 WeakPolarHBondContact O-CA 3.35Å; H304-G307 PolarHBondContact O-N 2.86Å
308K98.8Very high98.1Very high62 Ų6239.1 Ų39.127%0.2720%0.196SC..EExtended strand (participates in β ladder)trans-125.5143173.5-65.1-179.3-176.5173.70111.4E184 D268 Y269 V270 L303 F310 T356 W358E184-K308 WeakPolarHBondContact OE1-CD 3.39Å; E184-K308 IonicContact OE1-NZ 2.67Å; E184-K308 PolarHBondContact OE1-NZ 3.18Å; E184-K308 IonicContact OE2-NZ 3.26Å; D268-K308 PolarHBondContact O-N 2.83Å; Y269-K308 WeakPolarHBondContact CA-O 3.47Å; Y269-K308 HydrophobicContact CD1-CB 4Å; Y269-K308 HydrophobicContact CE1-CB 4.04Å; Y269-K308 HydrophobicContact CE1-CG 4.48Å; V270-K308 PolarHBondContact N-O 2.92Å; L303-K308 WeakPolarHBondContact CD1-O 3.47Å; K308-F310 HydrophobicContact CB-CE2 3.85Å; K308-F310 HydrophobicContact CB-CZ 3.87Å; K308-F310 HydrophobicContact CD-CZ 3.98Å; K308-T356 HydrophobicContact CB-CG2 4.31Å; K308-T356 HydrophobicContact CD-CG2 4Å; K308-T356 HydrophobicContact CG-CG2 4.44Å; K308-W358 HydrophobicContact CG-CB 4.47Å
309Y98.8Very high98Very high1 Ų146.5 Ų46.50%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-101.2134170.7171.5-90.9000109.3V270 N272 L296 T311 T356 A357V270-Y309 HydrophobicContact CB-CD2 4.06Å; V270-Y309 HydrophobicContact CG1-CD2 3.94Å; V270-Y309 HydrophobicContact CG1-CE2 4.26Å; V270-Y309 CarbonylContact O-C 3.56Å; V270-Y309 VanDerWaalsContact O-CA 3.24Å; V270-Y309 WeakPolarHBondContact O-CA 3.35Å; N272-Y309 HydrophobicContact CB-CE2 3.69Å; N272-Y309 WeakPolarHBondContact CB-OH 3.28Å; N272-Y309 PolarHBondContact ND2-OH 2.86Å; L296-Y309 HydrophobicContact CD2-CE1 3.77Å; L296-Y309 WeakPolarHBondContact CD2-OH 3.35Å; Y309-T311 HydrophobicContact CD1-CG2 4.46Å; Y309-T311 HydrophobicContact CE1-CG2 3.52Å; Y309-T356 CarbonylContact O-C 3.58Å; Y309-T356 WeakPolarHBondContact O-CA 3.47Å; Y309-A357 HydrophobicContact CD1-CB 4.14Å; Y309-A357 PolarHBondContact N-O 3.16Å; Y309-A357 PolarHBondContact O-N 2.87Å
310F98.8Very high97.9Very high2 Ų254.4 Ų54.41%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-123.8144.9176.4-61.7-77.9000110.7I178 G180 E184 Y269 V270 I271 N272 K308 Y355 T356I178-F310 WeakPolarHBondContact O-CB 3.3Å; G180-F310 VanDerWaalsContact CA-CE1 3.5Å; E184-F310 HydrophobicContact CG-CE2 3.97Å; E184-F310 HydrophobicContact CG-CZ 3.54Å; Y269-F310 HydrophobicContact CD1-CD2 4.41Å; Y269-F310 AromaticContact CD1-CE2 3.65Å; Y269-F310 HydrophobicContact CD1-CE2 3.65Å; Y269-F310 HydrophobicContact CE1-CE2 4Å; V270-F310 PolarHBondContact O-N 3.34Å; I271-F310 WeakPolarHBondContact CA-O 3.4Å; I271-F310 HydrophobicContact CG1-CB 4.46Å; I271-F310 HydrophobicContact CG1-CD2 4.33Å; I271-F310 HydrophobicContact CG2-CB 4.41Å; N272-F310 PolarHBondContact N-O 2.95Å; K308-F310 HydrophobicContact CB-CE2 3.85Å; K308-F310 HydrophobicContact CB-CZ 3.87Å; K308-F310 HydrophobicContact CD-CZ 3.98Å; F310-Y355 WeakPolarHBondContact CA-O 3.33Å; F310-T356 HydrophobicContact CD1-CG2 3.9Å; F310-T356 WeakPolarHBondContact CD1-OG1 3.36Å; F310-T356 HydrophobicContact CE1-CG2 3.4Å; F310-T356 VanDerWaalsContact CE1-OG1 3.29Å; F310-T356 WeakPolarHBondContact CE1-OG1 3.39Å; F310-T356 HydrophobicContact CZ-CG2 4.04Å
311T98.7Very high97.8Very high8 Ų855.5 Ų55.55%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-158.6152.5175.2-171.10000111.1N272 Y309 Y325 Y355N272-T311 WeakPolarHBondContact O-CA 3.38Å; N272-T311 PolarHBondContact O-OG1 2.88Å; Y309-T311 HydrophobicContact CD1-CG2 4.46Å; Y309-T311 HydrophobicContact CE1-CG2 3.52Å; T311-Y325 VanDerWaalsContact CG2-OH 3.27Å; T311-Y325 WeakPolarHBondContact CG2-OH 3.35Å; T311-Y355 PolarHBondContact N-O 3.14Å; T311-Y355 PolarHBondContact O-N 3.01Å
312Q98.1Very high97.8Very high22 Ų2250.1 Ų50.110%0.10325%0.254CS..EExtended strand (participates in β ladder)trans-67.7146158.573.189.2-2.700109.3Y174 I178 F354Y174-Q312 HydrophobicContact CE2-CB 3.98Å; Y174-Q312 HydrophobicContact CE2-CG 4.49Å; Y174-Q312 WeakPolarHBondContact OH-CG 3.12Å; I178-Q312 HydrophobicContact CD1-CB 4.32Å; Q312-F354 HydrophobicContact CB-CD1 4.1Å; Q312-F354 HydrophobicContact CB-CE1 3.75Å; Q312-F354 HydrophobicContact CB-CZ 4.4Å
313G97.3Very high97.7Very high17 Ų1752.9 Ų52.918%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-105.3-92.8-179.100000111.5V353G313-V353 WeakPolarHBondContact CA-O 3.17Å; G313-V353 PolarHBondContact N-O 3.3Å
314N97.7Very high97.6Very high40 Ų4055.8 Ų55.821%0.21429%0.289CS..EExtended strand (participates in β ladder)trans-164177.2177.8-145.5-40.6000110.7L318 L322 V353N314-L318 WeakPolarHBondContact OD1-CD1 3.46Å; N314-L322 HydrophobicContact CB-CD2 3.78Å; N314-L322 HydrophobicContact CB-CG 4.3Å; N314-V353 WeakPolarHBondContact O-CB 3.37Å; N314-V353 PolarHBondContact O-N 3.14Å
315S97.8Very high97.5Very high0 Ų053.6 Ų53.60%028%0.278CS..EExtended strand (participates in β ladder)trans-52.6136.2166.7177.60000111.7N317 L318 E350S315-N317 PolarHBondContact O-N 3.03Å; S315-N317 PolarHBondContact OG-N 2.65Å; S315-L318 PolarHBondContact O-N 3.01Å; S315-E350 WeakPolarHBondContact CB-OE2 3.36Å; S315-E350 PolarHBondContact OG-OE2 3.48Å
316V98.3Very high97.5Very high38 Ų3851.5 Ų51.523%0.2326%0.26CS..THydrogen-bonded Turntrans-59-22.3178.573.10000113V342 Q351 V353V316-V342 HydrophobicContact CG2-CG2 4.24Å; V316-Q351 HydrophobicContact CB-CB 4.26Å; V316-Q351 HydrophobicContact CG1-CB 3.69Å; V316-Q351 PolarHBondContact N-O 3.29Å; V316-V353 HydrophobicContact CB-CG2 4.28Å; V316-V353 HydrophobicContact CG2-CG2 4.39Å
317N98.2Very high97.6Very high90 Ų9046.9 Ų46.948%0.48124%0.242SC..THydrogen-bonded Turntrans-79.7-22.1-179.3-70.1-23000112.7D125 S315 K319D125-N317 HydrophobicContact CB-CB 4.08Å; D125-N317 PolarHBondContact OD2-ND2 2.85Å; S315-N317 PolarHBondContact O-N 3.03Å; S315-N317 PolarHBondContact OG-N 2.65Å; N317-K319 PolarHBondContact O-N 3.3Å
318L97Very high97.5Very high55 Ų5547 Ų4729%0.28824%0.241SC..  trans-85.260.3-179.5-62.5-174.6000112A124 D125 N314 S315 E320 A321 L322A124-L318 HydrophobicContact CB-CD1 4.26Å; D125-L318 HydrophobicContact CB-CD2 4.34Å; N314-L318 WeakPolarHBondContact OD1-CD1 3.46Å; S315-L318 PolarHBondContact O-N 3.01Å; L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 3.47Å; L318-A321 HydrophobicContact CB-CB 4.13Å; L318-A321 PolarHBondContact O-N 3.43Å; L318-L322 WeakPolarHBondContact O-CG 3.34Å; L318-L322 PolarHBondContact O-N 2.98Å
319K97.7Very high97.4Very high161 Ų16144.4 Ų44.470%0.723%0.23SC*.Hα-helixtrans-58-39.1-174-64.3-179.1-177.9176.20113.9N317 S323N317-K319 PolarHBondContact O-N 3.3Å; K319-S323 WeakPolarHBondContact O-CB 3.41Å; K319-S323 PolarHBondContact O-N 2.95Å
320E96.3Very high97.3Very high166 Ų16647.8 Ų47.878%0.77627%0.266SS*.Hα-helixtrans-66.7-45178.5-67.7177.4-174.300111.1L318 L322 S323 L324L318-E320 VanDerWaalsContact C-N 3.32Å; L318-E320 PolarHBondContact O-N 3.47Å; E320-L322 PolarHBondContact O-N 3.36Å; E320-S323 WeakPolarHBondContact O-CB 2.95Å; E320-S323 PolarHBondContact O-N 3.19Å; E320-L324 WeakPolarHBondContact O-CG 3.33Å; E320-L324 PolarHBondContact O-N 3.3Å
321A94.9Very high97.1Very high26 Ų2652.6 Ų52.622%0.21529%0.286CS..Hα-helixtrans-62.9-42.617600000111.8W289 L318 S323 L324 Y325W289-A321 HydrophobicContact CH2-CB 4.37Å; W289-A321 VanDerWaalsContact CH2-O 3.31Å; W289-A321 WeakPolarHBondContact CH2-O 3.34Å; L318-A321 HydrophobicContact CB-CB 4.13Å; L318-A321 PolarHBondContact O-N 3.43Å; A321-S323 VanDerWaalsContact C-N 3.34Å; A321-S323 PolarHBondContact O-N 3.49Å; A321-L324 PolarHBondContact O-N 2.71Å; A321-Y325 WeakPolarHBondContact O-CB 3.24Å; A321-Y325 PolarHBondContact O-N 3.27Å
322L97.4Very high97.1Very high12 Ų1253.1 Ų53.16%0.06329%0.289CS..Hα-helixtrans-61.5-41.1174.6-69.2169000111.8N314 L318 E320 Y325 E326 V353 Y355N314-L322 HydrophobicContact CB-CD2 3.78Å; N314-L322 HydrophobicContact CB-CG 4.3Å; L318-L322 WeakPolarHBondContact O-CG 3.34Å; L318-L322 PolarHBondContact O-N 2.98Å; E320-L322 PolarHBondContact O-N 3.36Å; L322-Y325 PolarHBondContact O-N 2.91Å; L322-E326 VanDerWaalsContact O-CG 3.29Å; L322-E326 WeakPolarHBondContact O-CG 3.09Å; L322-E326 PolarHBondContact O-N 3.44Å; L322-V353 HydrophobicContact CD1-CG2 3.85Å; L322-V353 HydrophobicContact CD2-CB 4.02Å; L322-V353 HydrophobicContact CD2-CG1 4.25Å; L322-V353 HydrophobicContact CD2-CG2 4.2Å; L322-Y355 HydrophobicContact CD2-CE2 4.06Å
323S97.7Very high96.9Very high57 Ų5755.9 Ų55.940%0.39931%0.311SS..Hα-helixtrans-63.6-45175.6-170.20000111.7K319 E320 A321 Y325 E326 E327K319-S323 WeakPolarHBondContact O-CB 3.41Å; K319-S323 PolarHBondContact O-N 2.95Å; E320-S323 WeakPolarHBondContact O-CB 2.95Å; E320-S323 PolarHBondContact O-N 3.19Å; A321-S323 VanDerWaalsContact C-N 3.34Å; A321-S323 PolarHBondContact O-N 3.49Å; S323-Y325 VanDerWaalsContact C-N 3.3Å; S323-Y325 PolarHBondContact O-N 3.48Å; S323-E326 PolarHBondContact O-N 3.16Å; S323-E327 WeakPolarHBondContact O-CG 3.44Å; S323-E327 PolarHBondContact O-N 3.25Å
324L95.9Very high96.7Very high63 Ų6356.7 Ų56.733%0.3331%0.313SS..Hα-helixtrans-64.8-34.4178.1-71.6171.2000112.5W289 E320 A321 Q328W289-L324 HydrophobicContact CD2-CB 4.27Å; W289-L324 HydrophobicContact CE3-CB 4.37Å; W289-L324 HydrophobicContact CH2-CB 3.7Å; W289-L324 HydrophobicContact CZ2-CB 3.55Å; W289-L324 HydrophobicContact CZ2-CD1 3.72Å; W289-L324 HydrophobicContact CZ2-CG 4.3Å; W289-L324 HydrophobicContact CZ3-CB 4.11Å; E320-L324 WeakPolarHBondContact O-CG 3.33Å; E320-L324 PolarHBondContact O-N 3.3Å; A321-L324 PolarHBondContact O-N 2.71Å; L324-Q328 WeakPolarHBondContact O-CG 3.44Å; L324-Q328 PolarHBondContact O-N 3.15Å; L324-Q328 PolarHBondContact O-NE2 2.89Å
325Y96.4Very high96.6Very high23 Ų2359 Ų599%0.0933%0.33CS..Hα-helixtrans-64.2-47.6171.2175.4-95.3000111.4L296 T311 A321 L322 S323 E327 Q328 L329 Y355L296-Y325 HydrophobicContact CD1-CE2 3.93Å; L296-Y325 HydrophobicContact CD2-CE2 4.4Å; L296-Y325 WeakPolarHBondContact CD2-OH 2.91Å; T311-Y325 VanDerWaalsContact CG2-OH 3.27Å; T311-Y325 WeakPolarHBondContact CG2-OH 3.35Å; A321-Y325 WeakPolarHBondContact O-CB 3.24Å; A321-Y325 PolarHBondContact O-N 3.27Å; L322-Y325 PolarHBondContact O-N 2.91Å; S323-Y325 VanDerWaalsContact C-N 3.3Å; S323-Y325 PolarHBondContact O-N 3.48Å; Y325-E327 VanDerWaalsContact C-N 3.28Å; Y325-E327 PolarHBondContact O-N 2.83Å; Y325-Q328 WeakPolarHBondContact O-CB 3.17Å; Y325-Q328 PolarHBondContact O-N 2.88Å; Y325-L329 HydrophobicContact CE1-CD1 4.05Å; Y325-L329 HydrophobicContact CE1-CG 4.41Å; Y325-L329 PolarHBondContact O-N 3.45Å; Y325-Y355 HydrophobicContact CD1-CD2 4.22Å; Y325-Y355 HydrophobicContact CD1-CE1 4.22Å; Y325-Y355 AromaticContact CD1-CE2 3.83Å; Y325-Y355 HydrophobicContact CD1-CE2 3.83Å; Y325-Y355 AromaticContact CD1-CZ 3.84Å; Y325-Y355 HydrophobicContact CE1-CD1 4.04Å; Y325-Y355 AromaticContact CE1-CD2 3.71Å; Y325-Y355 HydrophobicContact CE1-CD2 3.71Å; Y325-Y355 HydrophobicContact CE1-CE1 4.13Å; Y325-Y355 AromaticContact CE1-CE2 3.81Å; Y325-Y355 HydrophobicContact CE1-CE2 3.81Å; Y325-Y355 AromaticContact CE1-CG 3.84Å; Y325-Y355 HydrophobicContact CE1-CG 3.84Å
326E97.8Very high96.6Very high45 Ų4559.7 Ų59.721%0.2133%0.334CS..Hα-helixtrans-62.2-33.8177.9-72169.8-170.300112.4L322 S323 Q328 L329 F338 K340 Y355L322-E326 VanDerWaalsContact O-CG 3.29Å; L322-E326 WeakPolarHBondContact O-CG 3.09Å; L322-E326 PolarHBondContact O-N 3.44Å; S323-E326 PolarHBondContact O-N 3.16Å; E326-Q328 VanDerWaalsContact C-N 3.27Å; E326-Q328 PolarHBondContact O-N 2.8Å; E326-L329 WeakPolarHBondContact O-CB 3.3Å; E326-L329 PolarHBondContact O-N 3.37Å; E326-F338 HydrophobicContact CB-CZ 4.1Å; E326-F338 HydrophobicContact CG-CE2 3.85Å; E326-F338 HydrophobicContact CG-CZ 3.73Å; E326-K340 WeakPolarHBondContact OE1-CD 3.4Å; E326-K340 IonicContact OE1-NZ 2.88Å; E326-K340 PolarHBondContact OE1-NZ 3.49Å; E326-K340 IonicContact OE2-NZ 2.78Å; E326-Y355 HydrophobicContact CG-CE1 3.81Å; E326-Y355 WeakPolarHBondContact OE1-CE1 3.2Å; E326-Y355 PolarHBondContact OE1-OH 3.34Å
327E97.1Very high96.6Very high94 Ų9461 Ų6144%0.43934%0.34SS..Hα-helixtrans-61.5-33.5171.6-74.6177-160.900112.9S323 Y325 L329 G330 K331S323-E327 WeakPolarHBondContact O-CG 3.44Å; S323-E327 PolarHBondContact O-N 3.25Å; Y325-E327 VanDerWaalsContact C-N 3.28Å; Y325-E327 PolarHBondContact O-N 2.83Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-G330 PolarHBondContact O-N 3.02Å; E327-K331 WeakPolarHBondContact O-CG 3.5Å
328Q96.4Very high96.6Very high5 Ų560.3 Ų60.32%0.02333%0.333CS..Hα-helixtrans-68.6-34.8177.5-53.1-42.4-48.100111.8W289 R293 L296 L324 Y325 E326 G330 K331 L332W289-Q328 HydrophobicContact CE3-CG 4.25Å; R293-Q328 HydrophobicContact CB-CB 4.24Å; R293-Q328 HydrophobicContact CB-CG 4.44Å; R293-Q328 HydrophobicContact CG-CB 4.38Å; L296-Q328 HydrophobicContact CD1-CB 4.15Å; L324-Q328 WeakPolarHBondContact O-CG 3.44Å; L324-Q328 PolarHBondContact O-N 3.15Å; L324-Q328 PolarHBondContact O-NE2 2.89Å; Y325-Q328 WeakPolarHBondContact O-CB 3.17Å; Y325-Q328 PolarHBondContact O-N 2.88Å; E326-Q328 VanDerWaalsContact C-N 3.27Å; E326-Q328 PolarHBondContact O-N 2.8Å; Q328-G330 PolarHBondContact O-N 2.81Å; Q328-K331 PolarHBondContact O-N 2.79Å; Q328-L332 WeakPolarHBondContact O-CD2 3.31Å
329L96.6Very high96.7Very high8 Ų861.9 Ų61.94%0.04234%0.339CS..Hα-helixtrans-60.3-29.4174.5-64.6173000112L296 Y325 E326 E327 K331 L332 V336 F338L296-L329 HydrophobicContact CD1-CD2 4.2Å; L296-L329 HydrophobicContact CD2-CD2 4.1Å; Y325-L329 HydrophobicContact CE1-CD1 4.05Å; Y325-L329 HydrophobicContact CE1-CG 4.41Å; Y325-L329 PolarHBondContact O-N 3.45Å; E326-L329 WeakPolarHBondContact O-CB 3.3Å; E326-L329 PolarHBondContact O-N 3.37Å; E327-L329 VanDerWaalsContact C-N 3.35Å; L329-K331 VanDerWaalsContact C-N 3.29Å; L329-K331 PolarHBondContact O-N 3.01Å; L329-L332 HydrophobicContact CD2-CD1 4.24Å; L329-L332 WeakPolarHBondContact O-CG 3.22Å; L329-V336 HydrophobicContact CB-CG2 4.19Å; L329-V336 WeakPolarHBondContact O-CG2 3.4Å; L329-F338 HydrophobicContact CD1-CB 4.13Å; L329-F338 HydrophobicContact CD1-CD1 3.71Å; L329-F338 HydrophobicContact CD1-CD2 4.26Å; L329-F338 HydrophobicContact CD1-CE1 4.14Å; L329-F338 HydrophobicContact CD1-CG 3.77Å
330G96.3Very high96.7Very high72 Ų7259.5 Ų59.574%0.74233%0.329SS*.THydrogen-bonded Turntrans-76-11174.500000115E327 Q328E327-G330 PolarHBondContact O-N 3.02Å; Q328-G330 PolarHBondContact O-N 2.81Å
331K96.6Very high96.8Very high102 Ų10253.3 Ų53.344%0.44330%0.3SS..THydrogen-bonded Turntrans-107.68.4-175.7-62.4171.7-168165.20113.3E327 Q328 L329E327-K331 WeakPolarHBondContact O-CG 3.5Å; Q328-K331 PolarHBondContact O-N 2.79Å; L329-K331 VanDerWaalsContact C-N 3.29Å; L329-K331 PolarHBondContact O-N 3.01Å
332L97.1Very high97Very high19 Ų1955.8 Ų55.810%0.09931%0.312CS..SBendtrans-73.9154.5179.8-52.1-174.1000111.2R293 L296 D297 V300 Q328 L329 C334 V336R293-L332 HydrophobicContact CG-CD2 4.26Å; L296-L332 HydrophobicContact CB-CD1 4.35Å; L296-L332 HydrophobicContact CB-CD2 3.76Å; D297-L332 HydrophobicContact CB-CD2 4.17Å; V300-L332 HydrophobicContact CB-CD1 4.49Å; V300-L332 HydrophobicContact CG2-CD1 3.81Å; Q328-L332 WeakPolarHBondContact O-CD2 3.31Å; L329-L332 HydrophobicContact CD2-CD1 4.24Å; L329-L332 WeakPolarHBondContact O-CG 3.22Å; L332-C334 PolarHBondContact O-N 2.68Å; L332-V336 HydrophobicContact CD1-CG1 4.28Å; L332-V336 HydrophobicContact CD1-CG2 4.06Å
333S93.8Very high97Very high81 Ų8156.1 Ų56.157%0.56631%0.314SS*.SBendtrans-64.9-24.4178.360.80000113.6D297D297-S333 WeakPolarHBondContact OD1-CB 3.3Å; D297-S333 PolarHBondContact OD1-N 2.83Å; D297-S333 PolarHBondContact OD1-OG 2.97Å
334C92.8Very high97.1Very high34 Ų3457.9 Ų57.923%0.2333%0.326CS..SBendtrans-116.4126.7174.8-174.70000108.9V300 L332 V336V300-C334 HydrophobicContact CG1-CB 3.86Å; L332-C334 PolarHBondContact O-N 2.68Å; C334-V336 PolarHBondContact O-N 3.46Å
335P96.2Very high97.2Very high87 Ų8754.9 Ų54.957%0.56531%0.31SS*.  trans-59.9132.8176.4-23.333.5000111.6K360P335-K360 HydrophobicContact CB-CB 4.27Å; P335-K360 HydrophobicContact CB-CD 3.89Å; P335-K360 HydrophobicContact CB-CG 4.28Å; P335-K360 PolarHBondContact O-N 2.96Å
336V98.2Very high97.3Very high15 Ų1556.1 Ų56.19%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-122.2152.7178.4-63.50000111.4V300 L329 L332 C334 W358 K360V300-V336 HydrophobicContact CG1-CG1 3.91Å; V300-V336 HydrophobicContact CG2-CG1 4.04Å; L329-V336 HydrophobicContact CB-CG2 4.19Å; L329-V336 WeakPolarHBondContact O-CG2 3.4Å; L332-V336 HydrophobicContact CD1-CG1 4.28Å; L332-V336 HydrophobicContact CD1-CG2 4.06Å; C334-V336 PolarHBondContact O-N 3.46Å; V336-W358 CarbonylContact C-O 3.54Å; V336-W358 WeakPolarHBondContact CA-O 3.41Å; V336-W358 VanDerWaalsContact CB-O 3.29Å; V336-W358 WeakPolarHBondContact CB-O 3.45Å; V336-K360 VanDerWaalsContact O-CE 3.31Å; V336-K360 WeakPolarHBondContact O-CE 3.29Å
337D98.4Very high97.3Very high65 Ų6554 Ų5435%0.34831%0.311SS..EExtended strand (participates in β ladder)trans-104.2157.6157.6-78.3-43000109A357 W358 K360D337-A357 CarbonylContact O-C 3.59Å; D337-A357 VanDerWaalsContact O-CA 3.29Å; D337-A357 WeakPolarHBondContact O-CA 3.35Å; D337-W358 HydrophobicContact CB-CD2 4.32Å; D337-W358 HydrophobicContact CB-CH2 4.39Å; D337-W358 HydrophobicContact CB-CZ2 3.6Å; D337-W358 PolarHBondContact N-O 2.78Å; D337-W358 PolarHBondContact O-N 2.63Å; D337-K360 WeakPolarHBondContact OD1-CE 3.36Å; D337-K360 IonicContact OD1-NZ 3.53Å; D337-K360 PolarHBondContact OD1-NZ 3.09Å; D337-K360 VanDerWaalsContact OD2-CE 3.3Å; D337-K360 WeakPolarHBondContact OD2-CE 3.33Å
338F98.4Very high97.4Very high76 Ų7650.3 Ų50.333%0.33329%0.293SS..EExtended strand (participates in β ladder)trans-144.9159.3176.771.2-87.4000112.1E326 L329 Y355 T356 A357E326-F338 HydrophobicContact CB-CZ 4.1Å; E326-F338 HydrophobicContact CG-CE2 3.85Å; E326-F338 HydrophobicContact CG-CZ 3.73Å; L329-F338 HydrophobicContact CD1-CB 4.13Å; L329-F338 HydrophobicContact CD1-CD1 3.71Å; L329-F338 HydrophobicContact CD1-CD2 4.26Å; L329-F338 HydrophobicContact CD1-CE1 4.14Å; L329-F338 HydrophobicContact CD1-CG 3.77Å; F338-Y355 AromaticContact CD2-CD1 3.75Å; F338-Y355 HydrophobicContact CD2-CD1 3.75Å; F338-Y355 AromaticContact CD2-CE1 3.84Å; F338-Y355 HydrophobicContact CD2-CE1 3.84Å; F338-Y355 HydrophobicContact CE2-CD1 4.25Å; F338-Y355 AromaticContact CE2-CE1 3.85Å; F338-Y355 HydrophobicContact CE2-CE1 3.85Å; F338-T356 CarbonylContact C-O 3.59Å; F338-T356 WeakPolarHBondContact CA-O 3.33Å; F338-T356 WeakPolarHBondContact CB-O 3.46Å; F338-A357 HydrophobicContact CB-CB 4.08Å
339Q98.1Very high97.5Very high89 Ų8952.9 Ų52.942%0.41631%0.307SS..EExtended strand (participates in β ladder)trans-130.7158.3165.767.2-174.4-1.200108.7Y355 T356 W358Q339-Y355 WeakPolarHBondContact O-CA 3.42Å; Q339-T356 PolarHBondContact N-O 2.82Å; Q339-T356 PolarHBondContact O-N 3.31Å; Q339-W358 HydrophobicContact CB-CH2 4.29Å; Q339-W358 HydrophobicContact CB-CZ3 4.34Å; Q339-W358 HydrophobicContact CG-CH2 4.34Å; Q339-W358 HydrophobicContact CG-CZ3 3.98Å
340K98.2Very high97.6Very high110 Ų11053.6 Ų53.648%0.47831%0.31SS..EExtended strand (participates in β ladder)trans-130.7148.4174.865.8-175.3172.2-1690111.7E326 V353 F354 Y355E326-K340 WeakPolarHBondContact OE1-CD 3.4Å; E326-K340 IonicContact OE1-NZ 2.88Å; E326-K340 PolarHBondContact OE1-NZ 3.49Å; E326-K340 IonicContact OE2-NZ 2.78Å; K340-V353 HydrophobicContact CB-CG1 3.8Å; K340-V353 HydrophobicContact CD-CG1 4.04Å; K340-V353 HydrophobicContact CG-CG1 4.34Å; K340-F354 CarbonylContact C-O 3.56Å; K340-F354 WeakPolarHBondContact CA-O 3.39Å; K340-Y355 HydrophobicContact CB-CD1 3.96Å; K340-Y355 HydrophobicContact CB-CE1 3.85Å; K340-Y355 HydrophobicContact CB-CG 4.44Å; K340-Y355 HydrophobicContact CD-CE1 4.04Å
341E98.3Very high97.7Very high37 Ų3755.3 Ų55.317%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-131147.2176.262.4-169.2169.800110.6N181 R183 V343 V353 F354N181-E341 PolarHBondContact ND2-OE1 3.4Å; N181-E341 PolarHBondContact ND2-OE2 3.36Å; N181-E341 VanDerWaalsContact ND2-OE2 3.15Å; R183-E341 IonicContact CZ-OE2 2.74Å; R183-E341 IonicContact NH1-OE2 3.77Å; R183-E341 PolarHBondContact NH1-OE2 3.29Å; R183-E341 VanDerWaalsContact NH2-CD 3.26Å; R183-E341 IonicContact NH2-OE1 3.3Å; R183-E341 PolarHBondContact NH2-OE1 3.43Å; R183-E341 IonicContact NH2-OE2 3.91Å; R183-E341 PolarHBondContact NH2-OE2 3.12Å; E341-V343 HydrophobicContact CG-CG2 4.16Å; E341-V353 CarbonylContact O-C 3.56Å; E341-V353 WeakPolarHBondContact O-CA 3.49Å; E341-F354 HydrophobicContact CG-CB 4.11Å; E341-F354 PolarHBondContact N-O 3.09Å; E341-F354 PolarHBondContact O-N 3.07Å
342V98.6Very high97.8Very high78 Ų7850.9 Ų50.947%0.47328%0.279SS..EExtended strand (participates in β ladder)trans-100.1127.5177.4-178.70000108.3V316 Q351 W352 V353V316-V342 HydrophobicContact CG2-CG2 4.24Å; V342-Q351 HydrophobicContact CG1-CB 3.75Å; V342-Q351 HydrophobicContact CG1-CG 4.22Å; V342-W352 CarbonylContact C-O 3.56Å; V342-W352 WeakPolarHBondContact CA-O 3.43Å; V342-V353 HydrophobicContact CG2-CG2 4.43Å
343V98.7Very high97.9Very high18 Ų1850.2 Ų50.211%0.10928%0.276CS..EExtended strand (participates in β ladder)trans-126.1141.7-174179.80000109.3A173 A177 E341 V345 W352 F354A173-V343 HydrophobicContact CB-CG1 4.39Å; A177-V343 HydrophobicContact CB-CB 4.37Å; A177-V343 HydrophobicContact CB-CG1 4.14Å; A177-V343 HydrophobicContact CB-CG2 3.76Å; E341-V343 HydrophobicContact CG-CG2 4.16Å; V343-V345 HydrophobicContact CG1-CG2 4.26Å; V343-W352 PolarHBondContact N-O 3.47Å; V343-W352 PolarHBondContact O-N 3.33Å; V343-F354 HydrophobicContact CB-CD2 3.83Å; V343-F354 HydrophobicContact CB-CE2 3.8Å; V343-F354 HydrophobicContact CG1-CE2 4.28Å; V343-F354 HydrophobicContact CG2-CD2 3.72Å; V343-F354 HydrophobicContact CG2-CE2 4.16Å
344C98.6Very high98.1Very high94 Ų9446.4 Ų46.464%0.63525%0.249SC*.EExtended strand (participates in β ladder)trans-92.5104.9169.3-177.70000108
345V98.7Very high98.4Very high1 Ų144.9 Ų44.91%0.00624%0.238CC..  trans-89.7119.6170.9-178.40000107.1D171 Y174 V343 S347 Y348 F354D171-V345 HydrophobicContact CB-CG1 3.77Å; D171-V345 VanDerWaalsContact CG-CG1 3.48Å; Y174-V345 HydrophobicContact CD2-CG2 4.27Å; V343-V345 HydrophobicContact CG1-CG2 4.26Å; V345-S347 PolarHBondContact O-N 2.89Å; V345-Y348 HydrophobicContact CB-CD1 4.02Å; V345-Y348 HydrophobicContact CB-CD2 3.87Å; V345-Y348 HydrophobicContact CB-CE2 4.36Å; V345-Y348 HydrophobicContact CB-CG 3.69Å; V345-Y348 HydrophobicContact CG1-CD1 3.54Å; V345-Y348 HydrophobicContact CG1-CD2 4.21Å; V345-Y348 HydrophobicContact CG1-CE1 3.8Å; V345-Y348 HydrophobicContact CG1-CE2 4.42Å; V345-Y348 HydrophobicContact CG1-CG 3.78Å; V345-Y348 HydrophobicContact CG2-CD2 4.18Å; V345-Y348 HydrophobicContact CG2-CE2 4.34Å; V345-Y348 HydrophobicContact CG2-CG 4.49Å; V345-Y348 PolarHBondContact O-N 3.32Å; V345-Y348 VanDerWaalsContact O-N 3.1Å; V345-F354 HydrophobicContact CG2-CE2 4.2Å; V345-F354 HydrophobicContact CG2-CZ 4.28Å
346P98.5Very high98.5Very high49 Ų4940.9 Ų40.932%0.31821%0.212SC..G310 helixtrans-52.4-48.3-168.7-29.434.2000114.6Y155 D171 Y348Y155-P346 HydrophobicContact CD1-CB 4.16Å; Y155-P346 HydrophobicContact CE1-CB 3.95Å; Y155-P346 VanDerWaalsContact CE1-O 3.3Å; Y155-P346 WeakPolarHBondContact CE1-O 3.27Å; Y155-P346 PolarHBondContact OH-O 3.39Å; D171-P346 WeakPolarHBondContact OD1-CD 3.44Å; P346-Y348 VanDerWaalsContact C-N 3.32Å; P346-Y348 PolarHBondContact O-N 2.76Å
347S98.6Very high98.5Very high0 Ų040.3 Ų40.30%021%0.209CC..G310 helixtrans-80.1-8.8-176.793.80000114Y131 D171 V345 L349Y131-S347 WeakPolarHBondContact CE1-O 3.27Å; Y131-S347 PolarHBondContact OH-O 3.17Å; D171-S347 PolarHBondContact OD1-N 2.95Å; D171-S347 WeakPolarHBondContact OD2-CB 3.39Å; D171-S347 PolarHBondContact OD2-OG 2.84Å; V345-S347 PolarHBondContact O-N 2.89Å; S347-L349 VanDerWaalsContact C-N 3.3Å; S347-L349 PolarHBondContact O-N 3.34Å
348Y98.6Very high98.5Very high16 Ų1641.1 Ų41.16%0.06321%0.207CC..G310 helixtrans-77.1-20.2-175.6-79.419.6000112.7V165 N166 Y174 V345 P346 E350 W352V165-Y348 HydrophobicContact CG1-CD1 4.26Å; V165-Y348 HydrophobicContact CG1-CE1 4.37Å; V165-Y348 WeakPolarHBondContact O-CE1 3.39Å; N166-Y348 WeakPolarHBondContact O-CE1 3.05Å; N166-Y348 PolarHBondContact O-OH 3.46Å; Y174-Y348 HydrophobicContact CD2-CE2 4.31Å; Y174-Y348 AromaticContact CD2-CZ 3.93Å; Y174-Y348 WeakPolarHBondContact CD2-OH 3.11Å; Y174-Y348 HydrophobicContact CE2-CE2 4.49Å; Y174-Y348 WeakPolarHBondContact CE2-OH 3.28Å; V345-Y348 HydrophobicContact CB-CD1 4.02Å; V345-Y348 HydrophobicContact CB-CD2 3.87Å; V345-Y348 HydrophobicContact CB-CE2 4.36Å; V345-Y348 HydrophobicContact CB-CG 3.69Å; V345-Y348 HydrophobicContact CG1-CD1 3.54Å; V345-Y348 HydrophobicContact CG1-CD2 4.21Å; V345-Y348 HydrophobicContact CG1-CE1 3.8Å; V345-Y348 HydrophobicContact CG1-CE2 4.42Å; V345-Y348 HydrophobicContact CG1-CG 3.78Å; V345-Y348 HydrophobicContact CG2-CD2 4.18Å; V345-Y348 HydrophobicContact CG2-CE2 4.34Å; V345-Y348 HydrophobicContact CG2-CG 4.49Å; V345-Y348 PolarHBondContact O-N 3.32Å; V345-Y348 VanDerWaalsContact O-N 3.1Å; P346-Y348 VanDerWaalsContact C-N 3.32Å; P346-Y348 PolarHBondContact O-N 2.76Å; Y348-E350 PolarHBondContact O-N 3.15Å; Y348-W352 HydrophobicContact CD2-CB 4.16Å; Y348-W352 AromaticContact CD2-CD2 3.74Å; Y348-W352 HydrophobicContact CD2-CD2 3.74Å; Y348-W352 AromaticContact CD2-CE3 3.64Å; Y348-W352 HydrophobicContact CD2-CE3 3.64Å; Y348-W352 AromaticContact CD2-CG 3.99Å; Y348-W352 HydrophobicContact CD2-CG 3.99Å; Y348-W352 HydrophobicContact CD2-CZ3 4.24Å; Y348-W352 HydrophobicContact CE2-CB 4.44Å; Y348-W352 AromaticContact CE2-CD2 3.72Å; Y348-W352 HydrophobicContact CE2-CD2 3.72Å; Y348-W352 AromaticContact CE2-CE2 3.99Å; Y348-W352 HydrophobicContact CE2-CE3 4.02Å; Y348-W352 AromaticContact CE2-CG 3.91Å; Y348-W352 HydrophobicContact CE2-CG 3.91Å; Y348-W352 HydrophobicContact CE2-CZ2 4.5Å
349L98.2Very high98.5Very high59 Ų5939.3 Ų39.331%0.30920%0.199SC..SBendtrans53.724.5-175.7-55.6-178.6000113.5R127 V129 Y131 Y155 S347R127-L349 PolarHBondContact NH1-O 2.87Å; R127-L349 PolarHBondContact NH2-O 3.47Å; V129-L349 HydrophobicContact CB-CD1 3.85Å; V129-L349 HydrophobicContact CG1-CD1 4.3Å; V129-L349 HydrophobicContact CG2-CD1 3.93Å; Y131-L349 HydrophobicContact CD1-CD1 4.32Å; Y131-L349 HydrophobicContact CD2-CD1 4.33Å; Y131-L349 HydrophobicContact CE1-CD1 3.82Å; Y131-L349 HydrophobicContact CE1-CG 4.12Å; Y131-L349 HydrophobicContact CE2-CD1 3.82Å; Y155-L349 VanDerWaalsContact OH-CD2 3.25Å; Y155-L349 WeakPolarHBondContact OH-CD2 3.39Å; S347-L349 VanDerWaalsContact C-N 3.3Å; S347-L349 PolarHBondContact O-N 3.34Å
350E98.1Very high98.3Very high23 Ų2343.8 Ų43.811%0.10722%0.217CC..SBendtrans-157.5163.9176.475-174.2126.400111.5T123 A124 R127 S315 Y348 W352T123-E350 VanDerWaalsContact CB-OE1 3.28Å; T123-E350 WeakPolarHBondContact CB-OE1 3.15Å; A124-E350 WeakPolarHBondContact CB-OE1 3.4Å; A124-E350 PolarHBondContact N-OE1 3.36Å; R127-E350 IonicContact NH2-OE2 3.81Å; S315-E350 WeakPolarHBondContact CB-OE2 3.36Å; S315-E350 PolarHBondContact OG-OE2 3.48Å; Y348-E350 PolarHBondContact O-N 3.15Å; E350-W352 HydrophobicContact CG-CE3 3.91Å; E350-W352 HydrophobicContact CG-CZ3 4.02Å
351Q98.5Very high98.3Very high109 Ų10940.5 Ų40.551%0.50920%0.204SC..EExtended strand (participates in β ladder)trans-87.2132.4177.4-74.3-172.4-33.500110.2V316 V342V316-Q351 HydrophobicContact CB-CB 4.26Å; V316-Q351 HydrophobicContact CG1-CB 3.69Å; V316-Q351 PolarHBondContact N-O 3.29Å; V342-Q351 HydrophobicContact CG1-CB 3.75Å; V342-Q351 HydrophobicContact CG1-CG 4.22Å
352W98.7Very high98.3Very high9 Ų940.6 Ų40.63%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-113.9142.4-174.7-148-102.5000112.1A124 V342 V343 Y348 E350 F354A124-W352 HydrophobicContact CB-CH2 3.87Å; A124-W352 HydrophobicContact CB-CZ3 3.9Å; V342-W352 CarbonylContact C-O 3.56Å; V342-W352 WeakPolarHBondContact CA-O 3.43Å; V343-W352 PolarHBondContact N-O 3.47Å; V343-W352 PolarHBondContact O-N 3.33Å; Y348-W352 HydrophobicContact CD2-CB 4.16Å; Y348-W352 AromaticContact CD2-CD2 3.74Å; Y348-W352 HydrophobicContact CD2-CD2 3.74Å; Y348-W352 AromaticContact CD2-CE3 3.64Å; Y348-W352 HydrophobicContact CD2-CE3 3.64Å; Y348-W352 AromaticContact CD2-CG 3.99Å; Y348-W352 HydrophobicContact CD2-CG 3.99Å; Y348-W352 HydrophobicContact CD2-CZ3 4.24Å; Y348-W352 HydrophobicContact CE2-CB 4.44Å; Y348-W352 AromaticContact CE2-CD2 3.72Å; Y348-W352 HydrophobicContact CE2-CD2 3.72Å; Y348-W352 AromaticContact CE2-CE2 3.99Å; Y348-W352 HydrophobicContact CE2-CE3 4.02Å; Y348-W352 AromaticContact CE2-CG 3.91Å; Y348-W352 HydrophobicContact CE2-CG 3.91Å; Y348-W352 HydrophobicContact CE2-CZ2 4.5Å; E350-W352 HydrophobicContact CG-CE3 3.91Å; E350-W352 HydrophobicContact CG-CZ3 4.02Å; W352-F354 HydrophobicContact CB-CE2 4.01Å; W352-F354 AromaticContact CD1-CE2 3.86Å; W352-F354 HydrophobicContact CG-CE2 4.32Å
353V98.8Very high98.3Very high4 Ų438.6 Ų38.62%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-94131.8176.2-178.90000109.5G313 N314 V316 L322 K340 E341 V342 Y355G313-V353 WeakPolarHBondContact CA-O 3.17Å; G313-V353 PolarHBondContact N-O 3.3Å; N314-V353 WeakPolarHBondContact O-CB 3.37Å; N314-V353 PolarHBondContact O-N 3.14Å; V316-V353 HydrophobicContact CB-CG2 4.28Å; V316-V353 HydrophobicContact CG2-CG2 4.39Å; L322-V353 HydrophobicContact CD1-CG2 3.85Å; L322-V353 HydrophobicContact CD2-CB 4.02Å; L322-V353 HydrophobicContact CD2-CG1 4.25Å; L322-V353 HydrophobicContact CD2-CG2 4.2Å; K340-V353 HydrophobicContact CB-CG1 3.8Å; K340-V353 HydrophobicContact CD-CG1 4.04Å; K340-V353 HydrophobicContact CG-CG1 4.34Å; E341-V353 CarbonylContact O-C 3.56Å; E341-V353 WeakPolarHBondContact O-CA 3.49Å; V342-V353 HydrophobicContact CG2-CG2 4.43Å; V353-Y355 HydrophobicContact CB-CE2 4.49Å; V353-Y355 HydrophobicContact CG1-CD2 4.15Å; V353-Y355 HydrophobicContact CG1-CE2 3.59Å
354F98.8Very high98.3Very high2 Ų239.8 Ų39.81%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-115144.9170.3-71.6-97.8000110.1Y174 A177 I178 Q312 K340 E341 V343 V345 W352Y174-F354 AromaticContact CD2-CE1 3.92Å; Y174-F354 HydrophobicContact CD2-CE1 3.92Å; Y174-F354 AromaticContact CD2-CZ 3.48Å; Y174-F354 HydrophobicContact CD2-CZ 3.48Å; Y174-F354 VanDerWaalsContact CD2-CZ 3.48Å; Y174-F354 AromaticContact CE2-CE1 3.82Å; Y174-F354 HydrophobicContact CE2-CE1 3.82Å; Y174-F354 AromaticContact CE2-CZ 3.74Å; Y174-F354 HydrophobicContact CE2-CZ 3.74Å; Y174-F354 HydrophobicContact CG-CE1 4.42Å; Y174-F354 HydrophobicContact CG-CZ 4.13Å; A177-F354 HydrophobicContact CB-CB 4.48Å; A177-F354 HydrophobicContact CB-CD1 3.88Å; A177-F354 HydrophobicContact CB-CD2 3.8Å; A177-F354 HydrophobicContact CB-CE1 4Å; A177-F354 HydrophobicContact CB-CE2 3.92Å; A177-F354 HydrophobicContact CB-CG 3.77Å; A177-F354 HydrophobicContact CB-CZ 4.01Å; I178-F354 HydrophobicContact CB-CD1 4.06Å; I178-F354 HydrophobicContact CB-CE1 3.94Å; I178-F354 HydrophobicContact CG1-CD1 4.31Å; I178-F354 HydrophobicContact CG1-CE1 4.36Å; Q312-F354 HydrophobicContact CB-CD1 4.1Å; Q312-F354 HydrophobicContact CB-CE1 3.75Å; Q312-F354 HydrophobicContact CB-CZ 4.4Å; K340-F354 CarbonylContact C-O 3.56Å; K340-F354 WeakPolarHBondContact CA-O 3.39Å; E341-F354 HydrophobicContact CG-CB 4.11Å; E341-F354 PolarHBondContact N-O 3.09Å; E341-F354 PolarHBondContact O-N 3.07Å; V343-F354 HydrophobicContact CB-CD2 3.83Å; V343-F354 HydrophobicContact CB-CE2 3.8Å; V343-F354 HydrophobicContact CG1-CE2 4.28Å; V343-F354 HydrophobicContact CG2-CD2 3.72Å; V343-F354 HydrophobicContact CG2-CE2 4.16Å; V345-F354 HydrophobicContact CG2-CE2 4.2Å; V345-F354 HydrophobicContact CG2-CZ 4.28Å; W352-F354 HydrophobicContact CB-CE2 4.01Å; W352-F354 AromaticContact CD1-CE2 3.86Å; W352-F354 HydrophobicContact CG-CE2 4.32Å
355Y98.7Very high98.3Very high2 Ų236.4 Ų36.41%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-112.2141.2179.9-73.1-94.6000111.4F310 T311 L322 Y325 E326 F338 Q339 K340 V353F310-Y355 WeakPolarHBondContact CA-O 3.33Å; T311-Y355 PolarHBondContact N-O 3.14Å; T311-Y355 PolarHBondContact O-N 3.01Å; L322-Y355 HydrophobicContact CD2-CE2 4.06Å; Y325-Y355 HydrophobicContact CD1-CD2 4.22Å; Y325-Y355 HydrophobicContact CD1-CE1 4.22Å; Y325-Y355 AromaticContact CD1-CE2 3.83Å; Y325-Y355 HydrophobicContact CD1-CE2 3.83Å; Y325-Y355 AromaticContact CD1-CZ 3.84Å; Y325-Y355 HydrophobicContact CE1-CD1 4.04Å; Y325-Y355 AromaticContact CE1-CD2 3.71Å; Y325-Y355 HydrophobicContact CE1-CD2 3.71Å; Y325-Y355 HydrophobicContact CE1-CE1 4.13Å; Y325-Y355 AromaticContact CE1-CE2 3.81Å; Y325-Y355 HydrophobicContact CE1-CE2 3.81Å; Y325-Y355 AromaticContact CE1-CG 3.84Å; Y325-Y355 HydrophobicContact CE1-CG 3.84Å; E326-Y355 HydrophobicContact CG-CE1 3.81Å; E326-Y355 WeakPolarHBondContact OE1-CE1 3.2Å; E326-Y355 PolarHBondContact OE1-OH 3.34Å; F338-Y355 AromaticContact CD2-CD1 3.75Å; F338-Y355 HydrophobicContact CD2-CD1 3.75Å; F338-Y355 AromaticContact CD2-CE1 3.84Å; F338-Y355 HydrophobicContact CD2-CE1 3.84Å; F338-Y355 HydrophobicContact CE2-CD1 4.25Å; F338-Y355 AromaticContact CE2-CE1 3.85Å; F338-Y355 HydrophobicContact CE2-CE1 3.85Å; Q339-Y355 WeakPolarHBondContact O-CA 3.42Å; K340-Y355 HydrophobicContact CB-CD1 3.96Å; K340-Y355 HydrophobicContact CB-CE1 3.85Å; K340-Y355 HydrophobicContact CB-CG 4.44Å; K340-Y355 HydrophobicContact CD-CE1 4.04Å; V353-Y355 HydrophobicContact CB-CE2 4.49Å; V353-Y355 HydrophobicContact CG1-CD2 4.15Å; V353-Y355 HydrophobicContact CG1-CE2 3.59Å
356T98.8Very high98.2Very high3 Ų338.7 Ų38.72%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-117.8127.2161.2-51.90000107.9K308 Y309 F310 F338 Q339 W358K308-T356 HydrophobicContact CB-CG2 4.31Å; K308-T356 HydrophobicContact CD-CG2 4Å; K308-T356 HydrophobicContact CG-CG2 4.44Å; Y309-T356 CarbonylContact O-C 3.58Å; Y309-T356 WeakPolarHBondContact O-CA 3.47Å; F310-T356 HydrophobicContact CD1-CG2 3.9Å; F310-T356 WeakPolarHBondContact CD1-OG1 3.36Å; F310-T356 HydrophobicContact CE1-CG2 3.4Å; F310-T356 VanDerWaalsContact CE1-OG1 3.29Å; F310-T356 WeakPolarHBondContact CE1-OG1 3.39Å; F310-T356 HydrophobicContact CZ-CG2 4.04Å; F338-T356 CarbonylContact C-O 3.59Å; F338-T356 WeakPolarHBondContact CA-O 3.33Å; F338-T356 WeakPolarHBondContact CB-O 3.46Å; Q339-T356 PolarHBondContact N-O 2.82Å; Q339-T356 PolarHBondContact O-N 3.31Å; T356-W358 HydrophobicContact CG2-CE3 4.19Å; T356-W358 HydrophobicContact CG2-CZ3 4.3Å
357A98.4Very high98.2Very high2 Ų238 Ų382%0.01717%0.169CC..EExtended strand (participates in β ladder)trans-125.3151.117600000111.6Y309 D337 F338Y309-A357 HydrophobicContact CD1-CB 4.14Å; Y309-A357 PolarHBondContact N-O 3.16Å; Y309-A357 PolarHBondContact O-N 2.87Å; D337-A357 CarbonylContact O-C 3.59Å; D337-A357 VanDerWaalsContact O-CA 3.29Å; D337-A357 WeakPolarHBondContact O-CA 3.35Å; F338-A357 HydrophobicContact CB-CB 4.08Å
358W98.5Very high98.2Very high82 Ų8240.9 Ų40.931%0.31118%0.182SC..EExtended strand (participates in β ladder)trans-148.4157.7177.259.592.7000110.8K308 V336 D337 Q339 T356K308-W358 HydrophobicContact CG-CB 4.47Å; V336-W358 CarbonylContact C-O 3.54Å; V336-W358 WeakPolarHBondContact CA-O 3.41Å; V336-W358 VanDerWaalsContact CB-O 3.29Å; V336-W358 WeakPolarHBondContact CB-O 3.45Å; D337-W358 HydrophobicContact CB-CD2 4.32Å; D337-W358 HydrophobicContact CB-CH2 4.39Å; D337-W358 HydrophobicContact CB-CZ2 3.6Å; D337-W358 PolarHBondContact N-O 2.78Å; D337-W358 PolarHBondContact O-N 2.63Å; Q339-W358 HydrophobicContact CB-CH2 4.29Å; Q339-W358 HydrophobicContact CB-CZ3 4.34Å; Q339-W358 HydrophobicContact CG-CH2 4.34Å; Q339-W358 HydrophobicContact CG-CZ3 3.98Å; T356-W358 HydrophobicContact CG2-CE3 4.19Å; T356-W358 HydrophobicContact CG2-CZ3 4.3Å
359K98.2Very high98.1Very high38 Ų3843 Ų4317%0.16519%0.192CC..EExtended strand (participates in β ladder)trans-68.6141.1177.1-67.4178.4170.2174.50110.7V300 L303V300-K359 HydrophobicContact CG1-CG 4.09Å; V300-K359 WeakPolarHBondContact O-CE 3.43Å; V300-K359 PolarHBondContact O-NZ 3.1Å; L303-K359 WeakPolarHBondContact O-CE 3.3Å; L303-K359 PolarHBondContact O-NZ 2.88Å
360K94.1Very high98.1Very high183 Ų18341.5 Ų41.580%0.79618%0.182SC*.  trans-69.10173.8-74.1-172.6167.8173.60113.4P335 V336 D337P335-K360 HydrophobicContact CB-CB 4.27Å; P335-K360 HydrophobicContact CB-CD 3.89Å; P335-K360 HydrophobicContact CB-CG 4.28Å; P335-K360 PolarHBondContact O-N 2.96Å; V336-K360 VanDerWaalsContact O-CE 3.31Å; V336-K360 WeakPolarHBondContact O-CE 3.29Å; D337-K360 WeakPolarHBondContact OD1-CE 3.36Å; D337-K360 IonicContact OD1-NZ 3.53Å; D337-K360 PolarHBondContact OD1-NZ 3.09Å; D337-K360 VanDerWaalsContact OD2-CE 3.3Å; D337-K360 WeakPolarHBondContact OD2-CE 3.33Å

Retrieved 360 of 360 residues in 123.6 ms (Link to these results)

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