A0A087YJE4_POEFO Loading...

Abelson helper integration site 1

AlphaFold DB , UniProt , Accession A0A087YJE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 920 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
1M44Very low70.4Confident246 Ų24659.9 Ų59.9100%1.21232%0.317SS*.  0141.10-75.5160160.100107.8
2F58Low71.8Confident77 Ų7754.9 Ų54.934%0.33829%0.29SS..  trans-88.8154164.6-63.8-73.5000108.4F93 V97 L151F2-F93 HydrophobicContact CD1-CD1 4.02Å; F2-F93 AromaticContact CD1-CE1 3.86Å; F2-F93 HydrophobicContact CD1-CE1 3.86Å; F2-F93 HydrophobicContact CE1-CD1 4.42Å; F2-F93 AromaticContact CE1-CE1 3.83Å; F2-F93 HydrophobicContact CE1-CE1 3.83Å; F2-F93 HydrophobicContact CG-CD1 4.27Å; F2-F93 HydrophobicContact CG-CE1 4.47Å; F2-F93 HydrophobicContact CZ-CE1 4.4Å; F2-V97 HydrophobicContact CE2-CB 4.1Å; F2-V97 HydrophobicContact CE2-CG1 3.7Å; F2-V97 HydrophobicContact CZ-CB 4.46Å; F2-V97 HydrophobicContact CZ-CG1 3.73Å; F2-L151 HydrophobicContact CZ-CD1 4.24Å
3D57.2Low72.9Confident77 Ų7753.5 Ų53.541%0.41228%0.281SS..  trans-71.8127.2175.7177.1-26.2000109.7G5 L6 K201D3-G5 PolarHBondContact O-N 3Å; D3-G5 VanDerWaalsContact O-N 3.08Å; D3-G5 PolarHBondContact OD1-N 3.13Å; D3-L6 HydrophobicContact CB-CD1 3.89Å; D3-L6 HydrophobicContact CB-CG 4Å; D3-L6 WeakPolarHBondContact O-CB 3.47Å; D3-L6 PolarHBondContact O-N 3.19Å; D3-K201 IonicContact OD1-NZ 3.85Å; D3-K201 WeakPolarHBondContact OD2-CE 3.33Å; D3-K201 IonicContact OD2-NZ 3.97Å; D3-K201 PolarHBondContact OD2-NZ 3.03Å
4D59Low73.8Confident132 Ų13256.6 Ų56.671%0.70629%0.287SS*.THydrogen-bonded Turntrans-62.8-15.8-174-67.7-43.6000113.8L6D4-L6 VanDerWaalsContact C-N 3.34Å
5G63.3Low74.7Confident36 Ų3652.8 Ų52.837%0.37127%0.268SS..THydrogen-bonded Turntrans-842172.400000115.2D3 P202D3-G5 PolarHBondContact O-N 3Å; D3-G5 VanDerWaalsContact O-N 3.08Å; D3-G5 PolarHBondContact OD1-N 3.13Å; G5-P202 WeakPolarHBondContact O-CD 3.49Å
6L78.8Confident75.2Confident34 Ų3451.8 Ų51.818%0.17826%0.263CS..  trans-87.8132.6-179.9-67.1172.7000112.8D3 D4 F93 K201D3-L6 HydrophobicContact CB-CD1 3.89Å; D3-L6 HydrophobicContact CB-CG 4Å; D3-L6 WeakPolarHBondContact O-CB 3.47Å; D3-L6 PolarHBondContact O-N 3.19Å; D4-L6 VanDerWaalsContact C-N 3.34Å; L6-F93 HydrophobicContact CB-CB 3.87Å; L6-F93 HydrophobicContact CB-CD1 4.47Å; L6-F93 HydrophobicContact CB-CG 4.5Å; L6-F93 VanDerWaalsContact O-CB 3.3Å; L6-F93 WeakPolarHBondContact O-CB 3.29Å; L6-F93 PolarHBondContact O-N 2.93Å; L6-K201 HydrophobicContact CD2-CG 3.72Å
7V80.9Confident75.1Confident10 Ų1058.7 Ų58.76%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-118.1146.4-175.7177.90000109.7G9 I88 F89 E91 I200 P202V7-G9 PolarHBondContact O-N 3.24Å; V7-I88 HydrophobicContact CG1-CG2 3.76Å; V7-F89 WeakPolarHBondContact CG1-O 3.47Å; V7-E91 WeakPolarHBondContact CA-O 3.47Å; V7-I200 WeakPolarHBondContact CB-O 3.44Å; V7-I200 PolarHBondContact N-O 2.71Å; V7-I200 PolarHBondContact O-N 2.72Å; V7-P202 HydrophobicContact CG2-CG 4.18Å
8L80.2Confident75.3Confident0 Ų056.4 Ų56.40%027%0.274CS..EExtended strand (participates in β ladder)trans-70.2116.6-174.7178.468.6000112.7I33 F89 E91 F93 V96 V197L8-I33 HydrophobicContact CD2-CD1 3.54Å; L8-F89 HydrophobicContact CB-CB 4.33Å; L8-F89 HydrophobicContact CD2-CB 4.23Å; L8-F89 HydrophobicContact CD2-CD2 4.13Å; L8-F89 HydrophobicContact CD2-CG 4.37Å; L8-F89 HydrophobicContact CG-CD2 4.45Å; L8-F89 PolarHBondContact N-O 3.12Å; L8-F89 PolarHBondContact O-N 3.4Å; L8-E91 PolarHBondContact N-O 3.37Å; L8-F93 HydrophobicContact CB-CD2 4.47Å; L8-F93 HydrophobicContact CD1-CD2 3.86Å; L8-F93 HydrophobicContact CD1-CE2 3.99Å; L8-V96 HydrophobicContact CD1-CG1 4.34Å; L8-V96 HydrophobicContact CD2-CG1 4.15Å; L8-V96 HydrophobicContact CD2-CG2 4.4Å; L8-V197 HydrophobicContact CD1-CG1 3.8Å
9G82.3Confident75Confident0 Ų059.6 Ų59.60%029%0.287CS..EExtended strand (participates in β ladder)trans-112.5133.9171.900000113.5V7 I87 V197 K198V7-G9 PolarHBondContact O-N 3.24Å; G9-I87 WeakPolarHBondContact CA-O 3.49Å; G9-V197 WeakPolarHBondContact O-CA 3.38Å; G9-K198 WeakPolarHBondContact CA-O 3.49Å; G9-K198 PolarHBondContact N-O 3.27Å; G9-K198 PolarHBondContact O-N 2.86Å
10V84.9Confident73.9Confident0 Ų061.6 Ų61.60%030%0.303CS..EExtended strand (participates in β ladder)trans-123.6114.1174.1-172.30000109.3I31 I87 F89 L108 F110 V195 V197V10-I31 HydrophobicContact CB-CD1 4.15Å; V10-I31 HydrophobicContact CG1-CD1 3.82Å; V10-I87 PolarHBondContact N-O 3.04Å; V10-I87 PolarHBondContact O-N 3.47Å; V10-F89 HydrophobicContact CG2-CD2 4.38Å; V10-F89 HydrophobicContact CG2-CE2 4.09Å; V10-L108 HydrophobicContact CG2-CD1 4.13Å; V10-F110 HydrophobicContact CG1-CE1 3.95Å; V10-F110 HydrophobicContact CG1-CZ 4.16Å; V10-V195 HydrophobicContact CG1-CG1 3.62Å; V10-V197 HydrophobicContact CG1-CG2 4.36Å; V10-V197 HydrophobicContact CG2-CG2 4.4Å
11F85.8Confident73Confident47 Ų4762.6 Ų62.621%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-99.3117.8-179.7-166.8-75.2000110.5H13 Q84 E85 Q86 V195 T196F11-H13 AromaticContact CD1-CD2 3.61Å; F11-H13 AromaticContact CD1-CE1 3.67Å; F11-H13 AromaticContact CD1-CG 3.74Å; F11-H13 AromaticContact CD1-ND1 3.85Å; F11-H13 AromaticContact CD1-NE2 3.57Å; F11-H13 HydrophobicContact CE1-CB 4.45Å; F11-H13 AromaticContact CE1-CE1 3.83Å; F11-H13 AromaticContact CE1-CG 3.82Å; F11-H13 AromaticContact CE1-ND1 3.67Å; F11-Q84 VanDerWaalsContact CZ-C 3.47Å; F11-Q84 HydrophobicContact CZ-CB 4.34Å; F11-Q84 WeakPolarHBondContact CZ-O 3.37Å; F11-E85 CarbonylContact C-O 3.56Å; F11-E85 WeakPolarHBondContact CA-O 3.35Å; F11-Q86 HydrophobicContact CD2-CB 3.64Å; F11-Q86 HydrophobicContact CD2-CG 3.94Å; F11-Q86 HydrophobicContact CE2-CB 4.12Å; F11-V195 CarbonylContact O-C 3.59Å; F11-V195 WeakPolarHBondContact O-CA 3.33Å; F11-T196 PolarHBondContact N-O 3.1Å; F11-T196 PolarHBondContact O-N 3.07Å
12V87.6Confident73.3Confident0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-96.5107.5177.9-177.40000108.6V29 I31 T68 W83 Q84 E85 L193V12-V29 HydrophobicContact CG1-CB 4.28Å; V12-V29 HydrophobicContact CG1-CG2 3.97Å; V12-I31 HydrophobicContact CG2-CD1 3.9Å; V12-T68 HydrophobicContact CB-CG2 4.2Å; V12-T68 HydrophobicContact CG1-CG2 4.38Å; V12-T68 HydrophobicContact CG2-CG2 4.1Å; V12-W83 HydrophobicContact CG1-CD2 4.23Å; V12-W83 HydrophobicContact CG1-CE3 3.7Å; V12-W83 HydrophobicContact CG1-CZ3 4.31Å; V12-Q84 CarbonylContact O-C 3.52Å; V12-Q84 WeakPolarHBondContact O-CA 3.4Å; V12-Q84 PolarHBondContact O-N 3.05Å; V12-Q84 VanDerWaalsContact O-N 3.15Å; V12-E85 PolarHBondContact N-O 3.45Å; V12-E85 PolarHBondContact O-N 2.9Å; V12-L193 HydrophobicContact CG1-CD1 4.28Å
13H86.2Confident73.3Confident36 Ų3653.2 Ų53.217%0.16727%0.267CS..EExtended strand (participates in β ladder)trans-78.2-69.5-176.8-62.1-107.1000111.1F11 E82 W83 Q84 K156 Y194 T196F11-H13 AromaticContact CD1-CD2 3.61Å; F11-H13 AromaticContact CD1-CE1 3.67Å; F11-H13 AromaticContact CD1-CG 3.74Å; F11-H13 AromaticContact CD1-ND1 3.85Å; F11-H13 AromaticContact CD1-NE2 3.57Å; F11-H13 HydrophobicContact CE1-CB 4.45Å; F11-H13 AromaticContact CE1-CE1 3.83Å; F11-H13 AromaticContact CE1-CG 3.82Å; F11-H13 AromaticContact CE1-ND1 3.67Å; H13-E82 CarbonylContact O-C 3.5Å; H13-W83 PolarHBondContact O-N 3.08Å; H13-Q84 PolarHBondContact O-N 3.2Å; H13-K156 WeakPolarHBondContact ND1-CE 3.48Å; H13-K156 PolarHBondContact ND1-NZ 3.06Å; H13-Y194 WeakPolarHBondContact CB-O 3.38Å; H13-Y194 PolarHBondContact CD2-O 3.1Å; H13-Y194 PolarHBondContact N-O 3.17Å; H13-T196 PolarHBondContact NE2-OG1 3.22Å
14R85.3Confident73.8Confident97 Ų9750.2 Ų50.237%0.36625%0.251SS..EExtended strand (participates in β ladder)trans-166.8173.1-172.368.6-178.4-172.3-1702.6112P81 E82 Y194R14-P81 CarbonylContact C-O 3.55Å; R14-P81 WeakPolarHBondContact CA-O 3.46Å; R14-P81 VanDerWaalsContact CB-O 3.24Å; R14-P81 WeakPolarHBondContact CB-O 3.49Å; R14-E82 HydrophobicContact CB-CB 4.08Å; R14-E82 HydrophobicContact CB-CG 3.7Å; R14-E82 WeakPolarHBondContact CD-OE1 3.25Å; R14-E82 IonicContact CZ-OE1 2.74Å; R14-E82 IonicContact NE-OE1 3.7Å; R14-E82 IonicContact NH1-OE1 3.14Å; R14-E82 PolarHBondContact NH1-OE1 3.07Å; R14-Y194 HydrophobicContact CG-CD2 3.69Å; R14-Y194 HydrophobicContact CG-CE2 4.33Å; R14-Y194 HydrophobicContact CG-CG 4.4Å; R14-Y194 WeakPolarHBondContact O-CD2 3.43Å; R14-Y194 PolarHBondContact O-N 3.21Å
15T87.2Confident74.1Confident0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-102.1172159.444.40000111.8L18 I80 P81 W83 I112 L161 T192 L193T15-L18 HydrophobicContact CG2-CD2 4.33Å; T15-I80 WeakPolarHBondContact O-CG2 3.33Å; T15-P81 PolarHBondContact N-O 2.76Å; T15-P81 WeakPolarHBondContact OG1-CD 3.49Å; T15-W83 HydrophobicContact CG2-CH2 4.08Å; T15-W83 HydrophobicContact CG2-CZ3 4.03Å; T15-I112 HydrophobicContact CG2-CD1 3.78Å; T15-L161 HydrophobicContact CG2-CD1 3.99Å; T15-T192 CarbonylContact C-O 3.45Å; T15-T192 WeakPolarHBondContact CA-O 3.44Å; T15-T192 WeakPolarHBondContact CB-O 3.33Å; T15-L193 HydrophobicContact CG2-CB 4.13Å; T15-L193 HydrophobicContact CG2-CD1 3.52Å; T15-L193 HydrophobicContact CG2-CG 4.44Å
16D82.2Confident74.8Confident37 Ų3746.2 Ų46.220%0.19822%0.221CC..SBendtrans-70.3-179.3150.4-60.6-39.1000109.4L18 R158 T192 Y194D16-L18 PolarHBondContact O-N 3.35Å; D16-L18 VanDerWaalsContact O-N 3.08Å; D16-R158 IonicContact OD1-NH2 2.7Å; D16-R158 IonicContact OD2-CZ 3.13Å; D16-R158 IonicContact OD2-NE 2.85Å; D16-R158 IonicContact OD2-NH2 3.69Å; D16-R158 PolarHBondContact OD2-NH2 2.68Å; D16-T192 PolarHBondContact N-O 3Å; D16-T192 WeakPolarHBondContact OD2-CB 3.49Å; D16-T192 PolarHBondContact OD2-N 3.14Å; D16-T192 VanDerWaalsContact OD2-N 3.08Å; D16-T192 PolarHBondContact OD2-OG1 2.75Å; D16-Y194 VanDerWaalsContact OD1-CE2 3.24Å; D16-Y194 WeakPolarHBondContact OD1-CE2 3.26Å; D16-Y194 PolarHBondContact OD1-OH 3.48Å
17R74.6Confident74.9Confident169 Ų16944.6 Ų44.664%0.63821%0.213SC*.PPolyproline II helixtrans-55.5119.5172.5-70.4-178-1791770.5110.3I80 S191R17-I80 HydrophobicContact CG-CD1 4.17Å; R17-I80 HydrophobicContact CG-CG1 3.83Å; R17-S191 WeakPolarHBondContact O-CB 3.35Å; R17-S191 PolarHBondContact O-OG 3.17Å
18L78.6Confident75.1Confident17 Ų1745.1 Ų45.19%0.08922%0.215CC..PPolyproline II helixtrans-65.9164.8165.2-65176000109.6T15 D16 T20 I24 P27 P81 I112 L161 Y189T15-L18 HydrophobicContact CG2-CD2 4.33Å; D16-L18 PolarHBondContact O-N 3.35Å; D16-L18 VanDerWaalsContact O-N 3.08Å; L18-T20 PolarHBondContact O-N 3.2Å; L18-I24 HydrophobicContact CB-CD1 4.39Å; L18-P27 HydrophobicContact CD1-CB 4.44Å; L18-P81 HydrophobicContact CD1-CG 4.03Å; L18-I112 HydrophobicContact CD1-CG2 4.44Å; L18-I112 HydrophobicContact CD2-CD1 4.26Å; L18-L161 HydrophobicContact CD2-CD1 4.24Å; L18-Y189 HydrophobicContact CD2-CE1 4.1Å
19K68.3Low75.3Confident117 Ų11745.1 Ų45.151%0.50922%0.215SC..PPolyproline II helixtrans-59.7136.1171.9-70.7-177.7175.9-175.50109.1D21 Y189K19-D21 PolarHBondContact O-N 3.37Å; K19-Y189 HydrophobicContact CB-CE1 4.47Å; K19-Y189 WeakPolarHBondContact CB-OH 3.28Å; K19-Y189 HydrophobicContact CD-CE2 4.36Å; K19-Y189 HydrophobicContact CG-CE1 3.93Å; K19-Y189 PolarHBondContact N-OH 2.86Å; K19-Y189 VanDerWaalsContact N-OH 3.13Å
20T54Low75.5Confident99 Ų9946.5 Ų46.561%0.60722%0.221SC*.  trans-75.753.9177.949.90000111.6L18L18-T20 PolarHBondContact O-N 3.2Å
21D54.6Low75.5Confident84 Ų8446.5 Ų46.545%0.44922%0.221SC..  trans-72.8123.8169.2-170.6-17.7000108K19 L23 I24K19-D21 PolarHBondContact O-N 3.37Å; D21-L23 PolarHBondContact O-N 3.48Å; D21-I24 HydrophobicContact CB-CD1 4.48Å; D21-I24 HydrophobicContact CB-CG1 4.43Å; D21-I24 PolarHBondContact O-N 2.95Å; D21-I24 VanDerWaalsContact O-N 3.12Å
22L49.7Very low75.4Confident65 Ų6544.6 Ų44.634%0.3421%0.212SC..THydrogen-bonded Turntrans-60.8-5.7-172-67.7167.8000114.2R474L22-R474 PolarHBondContact O-NH1 2.87Å
23L57.6Low75.2Confident60 Ų6044.6 Ų44.631%0.31421%0.212SC..THydrogen-bonded Turntrans-102.6-5.9-174-58.6169.4000113.4D21 R135D21-L23 PolarHBondContact O-N 3.48Å; L23-R135 VanDerWaalsContact CB-CZ 3.48Å
24I68.3Low75.1Confident15 Ų1542.9 Ų42.98%0.07721%0.205CC..  trans-78.1134.7170.6-54.4177.9000109.6L18 D21 P27 F73 D114 I137 R491L18-I24 HydrophobicContact CB-CD1 4.39Å; D21-I24 HydrophobicContact CB-CD1 4.48Å; D21-I24 HydrophobicContact CB-CG1 4.43Å; D21-I24 PolarHBondContact O-N 2.95Å; D21-I24 VanDerWaalsContact O-N 3.12Å; I24-P27 HydrophobicContact CG2-CB 4.37Å; I24-P27 HydrophobicContact CG2-CG 4.32Å; I24-F73 HydrophobicContact CG2-CE2 4.16Å; I24-F73 HydrophobicContact CG2-CZ 4.28Å; I24-D114 VanDerWaalsContact CA-OD2 3.28Å; I24-D114 WeakPolarHBondContact CA-OD2 3.36Å; I24-I137 HydrophobicContact CD1-CD1 3.96Å; I24-I137 HydrophobicContact CD1-CG1 4.36Å; I24-I137 HydrophobicContact CD1-CG2 4.12Å; I24-I137 HydrophobicContact CG1-CD1 3.94Å; I24-I137 HydrophobicContact CG1-CG1 4.43Å; I24-I137 HydrophobicContact CG2-CD1 4.05Å; I24-R491 PolarHBondContact O-NH1 3.1Å
25S66.3Low75Confident26 Ų2638.9 Ų38.918%0.18219%0.19CC..  trans-134.8-47.1-171.773.30000114.7F73 D114S25-F73 VanDerWaalsContact O-CD2 3.24Å; S25-F73 WeakPolarHBondContact O-CD2 3.31Å; S25-D114 PolarHBondContact N-OD2 3.19Å; S25-D114 PolarHBondContact OG-OD1 3.28Å; S25-D114 PolarHBondContact OG-OD2 2.93Å; S25-D114 VanDerWaalsContact OG-OD2 3.12Å
26H76.6Confident74.6Confident57 Ų5741.4 Ų41.426%0.26420%0.202SC..SBendtrans-148.466.7-173.9-56.589.6000111.2P70 F71 D114 F115H26-P70 HydrophobicContact CB-CB 3.99Å; H26-F71 WeakPolarHBondContact CA-O 3.28Å; H26-D114 VanDerWaalsContact C-OD1 3.3Å; H26-D114 WeakPolarHBondContact CA-OD1 3.16Å; H26-D114 PolarHBondContact N-OD1 3.23Å; H26-F115 HydrophobicContact CB-CD2 4.13Å; H26-F115 HydrophobicContact CB-CE2 4.45Å
27P81.9Confident74.5Confident0 Ų045.7 Ų45.70%022%0.224CC..  trans-63.1141.4-169.726.1-34.8000112.8L18 I24 F71 F73 P81 W83 I112 L113L18-P27 HydrophobicContact CD1-CB 4.44Å; I24-P27 HydrophobicContact CG2-CB 4.37Å; I24-P27 HydrophobicContact CG2-CG 4.32Å; P27-F71 HydrophobicContact CG-CB 4.33Å; P27-F71 PolarHBondContact O-N 3.24Å; P27-F71 VanDerWaalsContact O-N 3.15Å; P27-F73 VanDerWaalsContact CD-CE2 3.41Å; P27-F73 HydrophobicContact CG-CE1 4.45Å; P27-F73 HydrophobicContact CG-CE2 4Å; P27-F73 HydrophobicContact CG-CZ 3.65Å; P27-P81 HydrophobicContact CG-CB 4.02Å; P27-P81 HydrophobicContact CG-CG 3.68Å; P27-W83 HydrophobicContact CB-CZ2 4.13Å; P27-W83 HydrophobicContact CG-CZ2 4.43Å; P27-W83 PolarHBondContact O-NE1 3.02Å; P27-I112 HydrophobicContact CB-CG2 4.45Å; P27-L113 CarbonylContact C-O 3.56Å; P27-L113 VanDerWaalsContact CA-O 3.31Å; P27-L113 WeakPolarHBondContact CA-O 3.27Å
28M84.9Confident74.6Confident21 Ų2141.8 Ų41.810%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-129.6147.4-177.5-66.3172.788.200109.8I67 T68 P70 I112 L113 F115M28-I67 HydrophobicContact CB-CG2 3.8Å; M28-I67 HydrophobicContact CE-CB 4.45Å; M28-I67 HydrophobicContact CE-CG2 3.78Å; M28-T68 WeakPolarHBondContact CE-O 3.48Å; M28-P70 HydrophobicContact CG-CB 4.01Å; M28-P70 HydrophobicContact SD-CB 4.15Å; M28-I112 CarbonylContact O-C 3.55Å; M28-I112 WeakPolarHBondContact O-CA 3.14Å; M28-L113 PolarHBondContact N-O 3.14Å; M28-L113 PolarHBondContact O-N 3.29Å; M28-F115 HydrophobicContact SD-CE2 3.82Å; M28-F115 HydrophobicContact SD-CZ 3.91Å
29V85.1Confident74.3Confident0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-109.5118.8173.1-174.10000109.7V12 I31 I67 T68 W83 F110 I112 L193V12-V29 HydrophobicContact CG1-CB 4.28Å; V12-V29 HydrophobicContact CG1-CG2 3.97Å; V29-I31 HydrophobicContact CG1-CG1 4.42Å; V29-I67 WeakPolarHBondContact O-CA 3.13Å; V29-T68 HydrophobicContact CB-CG2 3.96Å; V29-T68 PolarHBondContact N-OG1 3.34Å; V29-T68 PolarHBondContact O-N 3.06Å; V29-W83 HydrophobicContact CG2-CD2 4.13Å; V29-W83 HydrophobicContact CG2-CE3 4.05Å; V29-W83 HydrophobicContact CG2-CH2 3.52Å; V29-W83 HydrophobicContact CG2-CZ2 3.61Å; V29-W83 HydrophobicContact CG2-CZ3 3.76Å; V29-F110 HydrophobicContact CG1-CB 4.16Å; V29-F110 HydrophobicContact CG1-CD1 3.97Å; V29-I112 HydrophobicContact CG2-CG1 4.46Å; V29-L193 HydrophobicContact CG1-CD2 4.35Å; V29-L193 HydrophobicContact CG2-CD1 4.27Å
30K85.3Confident74.8Confident30 Ų3041.8 Ų41.813%0.1322%0.221CC..EExtended strand (participates in β ladder)trans-99.9122.5175.8174.6176.6165.4-148.10109.1H32 P65 I66 I67 E111 L113K30-H32 VanDerWaalsContact CE-CE1 3.45Å; K30-H32 WeakPolarHBondContact CE-CE1 3.49Å; K30-H32 VanDerWaalsContact CE-NE2 3.32Å; K30-H32 WeakPolarHBondContact CE-NE2 3.31Å; K30-P65 HydrophobicContact CG-CB 4.36Å; K30-I66 WeakPolarHBondContact CA-O 3.47Å; K30-I67 HydrophobicContact CB-CD1 4.43Å; K30-I67 HydrophobicContact CB-CG1 4.03Å; K30-I67 HydrophobicContact CB-CG2 4.14Å; K30-I67 HydrophobicContact CD-CD1 4.18Å; K30-I67 HydrophobicContact CD-CG1 4.4Å; K30-I67 HydrophobicContact CG-CD1 4.32Å; K30-I67 HydrophobicContact CG-CG1 3.99Å; K30-E111 HydrophobicContact CB-CB 4.29Å; K30-E111 WeakPolarHBondContact CD-OE2 3.24Å; K30-E111 WeakPolarHBondContact CE-OE2 3.45Å; K30-E111 PolarHBondContact N-O 3.45Å; K30-E111 IonicContact NZ-OE2 2.73Å; K30-E111 PolarHBondContact NZ-OE2 2.69Å; K30-E111 PolarHBondContact O-N 3.02Å; K30-L113 HydrophobicContact CB-CD1 4.27Å; K30-L113 HydrophobicContact CD-CD1 3.68Å
31I85.2Confident76.1Confident0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-105.4122.4-174.4-51.7-179000108.8V10 V12 V29 P65 I66 I87 F89 F109 F110V10-I31 HydrophobicContact CB-CD1 4.15Å; V10-I31 HydrophobicContact CG1-CD1 3.82Å; V12-I31 HydrophobicContact CG2-CD1 3.9Å; V29-I31 HydrophobicContact CG1-CG1 4.42Å; I31-P65 CarbonylContact O-C 3.58Å; I31-P65 WeakPolarHBondContact O-CA 3.27Å; I31-P65 WeakPolarHBondContact O-CB 3.25Å; I31-I66 PolarHBondContact N-O 3.48Å; I31-I66 PolarHBondContact O-N 2.95Å; I31-I87 HydrophobicContact CD1-CB 4.41Å; I31-I87 HydrophobicContact CD1-CD1 3.63Å; I31-I87 HydrophobicContact CG1-CD1 4.32Å; I31-F89 HydrophobicContact CB-CZ 4.2Å; I31-F89 HydrophobicContact CG2-CE2 4.3Å; I31-F89 HydrophobicContact CG2-CZ 4.03Å; I31-F109 WeakPolarHBondContact CA-O 3.38Å; I31-F110 HydrophobicContact CD1-CD1 4.38Å; I31-F110 HydrophobicContact CD1-CE1 3.99Å; I31-F110 HydrophobicContact CG1-CD1 3.93Å; I31-F110 HydrophobicContact CG1-CE1 3.98Å; I31-F110 HydrophobicContact CG2-CD1 4.48Å; I31-F110 HydrophobicContact CG2-CE1 4.1Å
32H83.2Confident77.3Confident6 Ų635.9 Ų35.93%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-108.7139.1174-56.7-115.7000110.6K30 V34 Y41 L108 F109 E111K30-H32 VanDerWaalsContact CE-CE1 3.45Å; K30-H32 WeakPolarHBondContact CE-CE1 3.49Å; K30-H32 VanDerWaalsContact CE-NE2 3.32Å; K30-H32 WeakPolarHBondContact CE-NE2 3.31Å; H32-V34 HydrophobicContact CB-CG2 4.08Å; H32-Y41 HydrophobicContact CB-CE1 4.03Å; H32-Y41 PolarHBondContact CE1-OH 3.09Å; H32-Y41 AromaticContact ND1-CE1 3.56Å; H32-Y41 AromaticContact ND1-CZ 3.64Å; H32-Y41 PolarHBondContact ND1-OH 3.17Å; H32-L108 WeakPolarHBondContact O-CA 3.36Å; H32-F109 HydrophobicContact CB-CB 4.24Å; H32-F109 PolarHBondContact N-O 2.89Å; H32-F109 PolarHBondContact O-N 2.84Å; H32-E111 IonicContact NE2-OE2 2.62Å
33I84.5Confident78.5Confident0 Ų041.1 Ų41.10%020%0.197CC..EExtended strand (participates in β ladder)trans-109.8110174.6-48.9-159.8000108.7L8 Y41 V42 I63 F89 V106 L108L8-I33 HydrophobicContact CD2-CD1 3.54Å; I33-Y41 WeakPolarHBondContact O-CA 3.32Å; I33-V42 HydrophobicContact CG2-CB 4.1Å; I33-V42 HydrophobicContact CG2-CG2 3.79Å; I33-V42 PolarHBondContact O-N 3.47Å; I33-V42 VanDerWaalsContact O-N 3.13Å; I33-I63 HydrophobicContact CB-CG2 4.43Å; I33-I63 HydrophobicContact CD1-CG2 4.18Å; I33-I63 HydrophobicContact CG1-CG2 4.37Å; I33-I63 HydrophobicContact CG2-CD1 4.41Å; I33-F89 HydrophobicContact CD1-CB 4.45Å; I33-F89 HydrophobicContact CD1-CD1 3.63Å; I33-F89 HydrophobicContact CD1-CD2 3.87Å; I33-F89 HydrophobicContact CD1-CE1 3.67Å; I33-F89 HydrophobicContact CD1-CE2 3.92Å; I33-F89 HydrophobicContact CD1-CG 3.73Å; I33-F89 HydrophobicContact CD1-CZ 3.82Å; I33-F89 HydrophobicContact CG1-CD1 4.38Å; I33-F89 HydrophobicContact CG1-CE1 3.96Å; I33-F89 HydrophobicContact CG1-CZ 4.05Å; I33-V106 HydrophobicContact CG2-CG1 3.46Å; I33-V106 VanDerWaalsContact CG2-CG1 3.46Å; I33-L108 HydrophobicContact CB-CD2 4.23Å; I33-L108 HydrophobicContact CD1-CD2 4.04Å; I33-L108 HydrophobicContact CG1-CD2 3.7Å; I33-L108 HydrophobicContact CG2-CD2 4.14Å
34V83.4Confident79.4Confident0 Ų038.9 Ų38.90%019%0.185CC..EExtended strand (participates in β ladder)trans-127.2138.5-168-178.70000110.3H32 K40 I107 F109 I175 F178H32-V34 HydrophobicContact CB-CG2 4.08Å; V34-K40 WeakPolarHBondContact CA-O 3.47Å; V34-K40 WeakPolarHBondContact CG1-O 3.33Å; V34-I107 PolarHBondContact N-O 3.26Å; V34-I107 PolarHBondContact O-N 3.34Å; V34-F109 HydrophobicContact CB-CD2 4Å; V34-F109 HydrophobicContact CB-CE2 3.89Å; V34-F109 HydrophobicContact CG1-CE2 4.17Å; V34-F109 HydrophobicContact CG2-CD2 3.77Å; V34-F109 HydrophobicContact CG2-CE2 4.1Å; V34-I175 HydrophobicContact CG1-CD1 4.21Å; V34-I175 HydrophobicContact CG2-CD1 3.66Å; V34-F178 HydrophobicContact CG1-CB 4.4Å; V34-F178 HydrophobicContact CG1-CD2 3.85Å; V34-F178 HydrophobicContact CG1-CE2 4.49Å; V34-F178 HydrophobicContact CG1-CG 4.29Å
35D82.9Confident79.6Confident13 Ų1341.5 Ų41.57%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-82.4128.6172163.954.9000111L37 T38 G39 K40 V42 P104 R105D35-L37 VanDerWaalsContact C-N 3.28Å; D35-L37 PolarHBondContact O-N 2.89Å; D35-L37 PolarHBondContact OD1-N 2.9Å; D35-T38 VanDerWaalsContact OD2-CB 3.26Å; D35-T38 WeakPolarHBondContact OD2-CB 3.48Å; D35-T38 VanDerWaalsContact OD2-CG2 3.3Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.24Å; D35-T38 PolarHBondContact OD2-N 2.89Å; D35-T38 PolarHBondContact OD2-OG1 2.86Å; D35-G39 WeakPolarHBondContact O-CA 3.44Å; D35-G39 PolarHBondContact O-N 3.37Å; D35-K40 PolarHBondContact N-O 3.31Å; D35-V42 HydrophobicContact CB-CG2 4.21Å; D35-P104 HydrophobicContact CB-CB 4.25Å; D35-R105 PolarHBondContact OD1-N 3.41Å
36E80.3Confident79.6Confident54 Ų5443.8 Ų43.825%0.25221%0.207SC..THydrogen-bonded Turntrans-59.4-36.6-178.7179.7164.7-16100112.8R105 I107 K143 W181E36-R105 HydrophobicContact CB-CB 3.91Å; E36-R105 WeakPolarHBondContact CB-O 3.41Å; E36-R105 PolarHBondContact N-O 3.14Å; E36-I107 HydrophobicContact CB-CD1 3.79Å; E36-I107 HydrophobicContact CB-CG1 4.07Å; E36-I107 HydrophobicContact CG-CD1 3.92Å; E36-K143 IonicContact OE1-NZ 3.74Å; E36-K143 PolarHBondContact OE1-NZ 3.45Å; E36-K143 IonicContact OE2-NZ 3.48Å; E36-K143 PolarHBondContact OE2-NZ 3.46Å; E36-W181 HydrophobicContact CG-CH2 4.22Å; E36-W181 WeakPolarHBondContact OE1-CH2 3.38Å
37L78.3Confident79.1Confident126 Ų12644 Ų4466%0.6622%0.215SC*.THydrogen-bonded Turntrans-78.4-46.1-172.9-61.5177.6000111.9D35 R105D35-L37 VanDerWaalsContact C-N 3.28Å; D35-L37 PolarHBondContact O-N 2.89Å; D35-L37 PolarHBondContact OD1-N 2.9Å; L37-R105 HydrophobicContact CD1-CG 4.42Å
38T76.6Confident78Confident87 Ų8752.3 Ų52.353%0.53425%0.253SS..THydrogen-bonded Turntrans-91.8-19.2-177.262.10000114.4D35 K40D35-T38 VanDerWaalsContact OD2-CB 3.26Å; D35-T38 WeakPolarHBondContact OD2-CB 3.48Å; D35-T38 VanDerWaalsContact OD2-CG2 3.3Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.24Å; D35-T38 PolarHBondContact OD2-N 2.89Å; D35-T38 PolarHBondContact OD2-OG1 2.86Å; T38-K40 PolarHBondContact O-N 3.23Å
39G72.3Confident77.1Confident8 Ų854.9 Ų54.98%0.08226%0.262CS..  trans67.119.6-176.400000114.5D35 F178D35-G39 WeakPolarHBondContact O-CA 3.44Å; D35-G39 PolarHBondContact O-N 3.37Å; G39-F178 VanDerWaalsContact CA-CZ 3.4Å
40K80.1Confident75.8Confident126 Ų12658.4 Ų58.455%0.54829%0.285SS..SBendtrans-113.9165.4179.8-67-179.1-179.1179.40110.4V34 D35 T38 V42V34-K40 WeakPolarHBondContact CA-O 3.47Å; V34-K40 WeakPolarHBondContact CG1-O 3.33Å; D35-K40 PolarHBondContact N-O 3.31Å; T38-K40 PolarHBondContact O-N 3.23Å; K40-V42 PolarHBondContact O-N 2.84Å
41Y81.6Confident74.5Confident58 Ų5857.2 Ų57.223%0.22728%0.28CS..BIsolated β-bridgetrans-55.8139.4168.7-68.3-72.4000110.2H32 I33 R43 I63 P65 I175H32-Y41 HydrophobicContact CB-CE1 4.03Å; H32-Y41 PolarHBondContact CE1-OH 3.09Å; H32-Y41 AromaticContact ND1-CE1 3.56Å; H32-Y41 AromaticContact ND1-CZ 3.64Å; H32-Y41 PolarHBondContact ND1-OH 3.17Å; I33-Y41 WeakPolarHBondContact O-CA 3.32Å; Y41-R43 PolarHBondContact O-N 2.92Å; Y41-I63 VanDerWaalsContact CD1-O 3.32Å; Y41-I63 WeakPolarHBondContact CD1-O 3.3Å; Y41-P65 HydrophobicContact CE1-CB 4.38Å; Y41-P65 HydrophobicContact CE1-CG 4.21Å; Y41-I175 HydrophobicContact CD1-CD1 4Å; Y41-I175 HydrophobicContact CD2-CD1 3.71Å; Y41-I175 HydrophobicContact CD2-CG1 4.34Å; Y41-I175 HydrophobicContact CE1-CD1 3.92Å; Y41-I175 HydrophobicContact CE2-CD1 3.63Å; Y41-I175 HydrophobicContact CE2-CG1 3.9Å; Y41-I175 HydrophobicContact CG-CD1 3.89Å
42V79.5Confident73.1Confident2 Ų258.1 Ų58.11%0.01229%0.286CS..PPolyproline II helixtrans-58.2137.7177.8171.10000109.4I33 D35 K40 H62 I63 Y95 P104 V106I33-V42 HydrophobicContact CG2-CB 4.1Å; I33-V42 HydrophobicContact CG2-CG2 3.79Å; I33-V42 PolarHBondContact O-N 3.47Å; I33-V42 VanDerWaalsContact O-N 3.13Å; D35-V42 HydrophobicContact CB-CG2 4.21Å; K40-V42 PolarHBondContact O-N 2.84Å; V42-H62 CarbonylContact O-C 3.51Å; V42-H62 WeakPolarHBondContact O-CA 3.48Å; V42-I63 HydrophobicContact CB-CD1 4.08Å; V42-I63 HydrophobicContact CG1-CD1 3.94Å; V42-I63 PolarHBondContact O-N 3.01Å; V42-Y95 HydrophobicContact CG1-CE1 4.37Å; V42-P104 HydrophobicContact CG1-CB 4.15Å; V42-P104 HydrophobicContact CG1-CG 3.8Å; V42-P104 HydrophobicContact CG2-CB 4.3Å; V42-V106 HydrophobicContact CG2-CG1 4.36Å; V42-V106 HydrophobicContact CG2-CG2 3.91Å
43R75.3Confident71.8Confident174 Ų17460.3 Ų60.366%0.65730%0.302SS*.BIsolated β-bridgetrans-71.5150.2175-59.3-169.3-168.5-171.97.6109.5Y41 S61Y41-R43 PolarHBondContact O-N 2.92Å; R43-S61 WeakPolarHBondContact CA-O 3.49Å
44K75.8Confident70Confident13 Ų1368.8 Ų68.86%0.05734%0.339CS..PPolyproline II helixtrans-68.9152.1172-63.6-177177173.20111.4R49 V51 E56 V60 S61 E91K44-R49 WeakPolarHBondContact CE-O 3.37Å; K44-R49 PolarHBondContact NZ-O 3.03Å; K44-V51 HydrophobicContact CD-CG2 3.78Å; K44-V51 HydrophobicContact CG-CG2 3.96Å; K44-E56 WeakPolarHBondContact CE-OE1 3.32Å; K44-E56 IonicContact NZ-OE1 2.79Å; K44-E56 PolarHBondContact NZ-OE1 3.21Å; K44-V60 WeakPolarHBondContact CD-O 3.27Å; K44-V60 WeakPolarHBondContact CE-O 3.22Å; K44-V60 PolarHBondContact NZ-O 3.24Å; K44-S61 PolarHBondContact N-O 3.35Å; K44-S61 VanDerWaalsContact N-O 3.13Å; K44-E91 WeakPolarHBondContact CA-OE1 3.42Å; K44-E91 VanDerWaalsContact CB-OE1 3.26Å; K44-E91 WeakPolarHBondContact CB-OE1 3.47Å
45E71.9Confident68.2Low71 Ų7174.8 Ų74.833%0.33236%0.363SS..SBendtrans-70.3-55.9164.3-168.6178.6-161.300109.1E91 R92 Y95E45-E91 WeakPolarHBondContact CB-OE2 3.37Å; E45-E91 PolarHBondContact N-OE1 3.05Å; E45-R92 IonicContact OE1-CZ 3.14Å; E45-R92 IonicContact OE1-NH1 3.78Å; E45-R92 PolarHBondContact OE1-NH1 3.01Å; E45-R92 WeakPolarHBondContact OE2-CB 3.47Å; E45-R92 WeakPolarHBondContact OE2-CD 3.5Å; E45-R92 WeakPolarHBondContact OE2-CG 3.36Å; E45-R92 IonicContact OE2-CZ 3.67Å; E45-R92 IonicContact OE2-NE 2.75Å; E45-R92 IonicContact OE2-NH1 3.62Å; E45-R92 PolarHBondContact OE2-NH1 3.06Å; E45-Y95 HydrophobicContact CB-CD1 4.23Å; E45-Y95 HydrophobicContact CB-CE1 4.45Å; E45-Y95 HydrophobicContact CB-CG 4.34Å
46D67.2Low67.1Low74 Ų7475.3 Ų75.340%0.39637%0.365SS..SBendtrans-101.1102.7173.2-75.2-45.4000110.9Q48 R49D46-Q48 PolarHBondContact O-N 3.35Å; D46-Q48 VanDerWaalsContact O-N 3.16Å; D46-R49 HydrophobicContact CB-CB 3.61Å; D46-R49 WeakPolarHBondContact O-CB 3.37Å; D46-R49 PolarHBondContact O-N 3.49Å
47C65.3Low66Low62 Ų6280 Ų8042%0.41939%0.387SS..THydrogen-bonded Turntrans-62-24.9179.1-73.90000114.1R49C47-R49 VanDerWaalsContact C-N 3.32Å
48Q59.3Low64.8Low174 Ų17482.2 Ų82.281%0.81339%0.394SS*.THydrogen-bonded Turntrans-82.6-4.7177.2-65.3-64.8-35.100113.5D46D46-Q48 PolarHBondContact O-N 3.35Å; D46-Q48 VanDerWaalsContact O-N 3.16Å
49R66.3Low63.9Low74 Ų7485.5 Ų85.528%0.27941%0.408SS..SBendtrans-93.3132.4-178-173.8174.2177152.8-0.9110.5K44 D46 C47 V51 N90K44-R49 WeakPolarHBondContact CE-O 3.37Å; K44-R49 PolarHBondContact NZ-O 3.03Å; D46-R49 HydrophobicContact CB-CB 3.61Å; D46-R49 WeakPolarHBondContact O-CB 3.37Å; D46-R49 PolarHBondContact O-N 3.49Å; C47-R49 VanDerWaalsContact C-N 3.32Å; R49-V51 PolarHBondContact O-N 2.91Å; R49-N90 PolarHBondContact NE-ND2 3.04Å; R49-N90 PolarHBondContact NE-O 3.05Å; R49-N90 PolarHBondContact NH2-OD1 2.73Å
50P58.5Low63.6Low74 Ų7486.5 Ų86.548%0.48141%0.412SS..  trans-71.6127.2166.328.8-31.9000109.1N90P50-N90 PolarHBondContact O-ND2 3.27Å
51V56.8Low63Low6 Ų683 Ų834%0.03640%0.404CS..  trans-109-36-172169.20000111.9K44 R49 E56 I63 F89 N90 E91K44-V51 HydrophobicContact CD-CG2 3.78Å; K44-V51 HydrophobicContact CG-CG2 3.96Å; R49-V51 PolarHBondContact O-N 2.91Å; V51-E56 PolarHBondContact N-OE2 2.85Å; V51-I63 HydrophobicContact CG1-CG1 4.19Å; V51-I63 HydrophobicContact CG1-CG2 3.93Å; V51-F89 HydrophobicContact CG1-CB 4.45Å; V51-N90 PolarHBondContact O-N 3.09Å; V51-E91 HydrophobicContact CB-CG 4.28Å; V51-E91 HydrophobicContact CG1-CB 4.38Å; V51-E91 HydrophobicContact CG1-CG 3.51Å; V51-E91 HydrophobicContact CG2-CG 3.71Å
52S56.7Low62.6Low18 Ų1883.3 Ų83.313%0.12641%0.407CS..SBendtrans-124.2-27.6-157.564.10000114.4E56 I66S52-E56 PolarHBondContact N-OE2 3.12Å; S52-E56 PolarHBondContact OG-OE2 2.91Å; S52-I66 WeakPolarHBondContact O-CD1 3.21Å
53S55.9Low62.4Low52 Ų5283.3 Ų83.336%0.36441%0.407SS..  trans-155.7159.3176700000112.3Y55 E56S53-Y55 PolarHBondContact O-N 3.46Å; S53-E56 WeakPolarHBondContact O-CB 3.36Å; S53-E56 PolarHBondContact O-N 3.09Å; S53-E56 PolarHBondContact OG-N 2.85Å
54F45.3Very low62.2Low178 Ų17878.1 Ų78.178%0.78139%0.392SS*.THydrogen-bonded Turntrans-68.4-18.7173.5-173.7-95.6000113.2
55Y45.3Very low62.3Low126 Ų12679.3 Ų79.349%0.49440%0.401SS..THydrogen-bonded Turntrans-10621.8-179.2-56.8-73.9000112.4S53 Q57 M213S53-Y55 PolarHBondContact O-N 3.46Å; Y55-Q57 PolarHBondContact O-N 2.86Å; Y55-M213 VanDerWaalsContact CB-SD 3.55Å; Y55-M213 HydrophobicContact CD1-CE 4.08Å; Y55-M213 HydrophobicContact CD2-CE 3.84Å; Y55-M213 HydrophobicContact CD2-CG 3.63Å; Y55-M213 HydrophobicContact CD2-SD 3.54Å; Y55-M213 VanDerWaalsContact CD2-SD 3.54Å; Y55-M213 HydrophobicContact CE2-CE 4.47Å; Y55-M213 HydrophobicContact CE2-CG 4.01Å; Y55-M213 HydrophobicContact CE2-SD 4.42Å; Y55-M213 HydrophobicContact CG-CE 3.61Å; Y55-M213 HydrophobicContact CG-CG 4.37Å; Y55-M213 HydrophobicContact CG-SD 3.71Å
56E60.3Low62.4Low24 Ų2477 Ų7711%0.11239%0.391CS..  trans-71.2123.8-178.2-166.6169.6162.500110.5K44 V51 S52 S53 V60 L64K44-E56 WeakPolarHBondContact CE-OE1 3.32Å; K44-E56 IonicContact NZ-OE1 2.79Å; K44-E56 PolarHBondContact NZ-OE1 3.21Å; V51-E56 PolarHBondContact N-OE2 2.85Å; S52-E56 PolarHBondContact N-OE2 3.12Å; S52-E56 PolarHBondContact OG-OE2 2.91Å; S53-E56 WeakPolarHBondContact O-CB 3.36Å; S53-E56 PolarHBondContact O-N 3.09Å; S53-E56 PolarHBondContact OG-N 2.85Å; E56-V60 HydrophobicContact CG-CB 4.19Å; E56-V60 HydrophobicContact CG-CG1 4.35Å; E56-V60 HydrophobicContact CG-CG2 4.43Å; E56-L64 HydrophobicContact CG-CD1 4.16Å
57Q57.2Low62.8Low154 Ų15476.1 Ų76.172%0.7239%0.386SS*.  trans-66.6140.7-177.4-65.9-179.9-6.300111.3Y55 N59 V60Y55-Q57 PolarHBondContact O-N 2.86Å; Q57-N59 PolarHBondContact O-N 2.98Å; Q57-V60 HydrophobicContact CB-CG2 4.11Å; Q57-V60 WeakPolarHBondContact O-CB 3.21Å; Q57-V60 WeakPolarHBondContact O-CG2 3.44Å; Q57-V60 PolarHBondContact O-N 3.06Å
58E52.7Low63.5Low172 Ų17273.3 Ų73.380%0.80437%0.366SS*.THydrogen-bonded Turntrans-57.4-18.5-172.9-60176.6158.300114.7
59N59.1Low64.1Low156 Ų15670.7 Ų70.783%0.83435%0.354SS*.THydrogen-bonded Turntrans-97.310.9-178.9-68.7-56.4000114.6Q57 S61Q57-N59 PolarHBondContact O-N 2.98Å; N59-S61 PolarHBondContact O-N 3.19Å
60V66.3Low64.6Low28 Ų2870.1 Ų70.117%0.1736%0.36CS..  trans-87107.1-177.31770000111.6K44 E56 Q57 H62 L64K44-V60 WeakPolarHBondContact CD-O 3.27Å; K44-V60 WeakPolarHBondContact CE-O 3.22Å; K44-V60 PolarHBondContact NZ-O 3.24Å; E56-V60 HydrophobicContact CG-CB 4.19Å; E56-V60 HydrophobicContact CG-CG1 4.35Å; E56-V60 HydrophobicContact CG-CG2 4.43Å; Q57-V60 HydrophobicContact CB-CG2 4.11Å; Q57-V60 WeakPolarHBondContact O-CB 3.21Å; Q57-V60 WeakPolarHBondContact O-CG2 3.44Å; Q57-V60 PolarHBondContact O-N 3.06Å; V60-H62 WeakPolarHBondContact CG1-O 3.42Å; V60-L64 HydrophobicContact CG1-CD1 4.14Å; V60-L64 HydrophobicContact CG1-CD2 4.07Å; V60-L64 HydrophobicContact CG1-CG 3.92Å
61S65.9Low65.3Low52 Ų5267.1 Ų67.136%0.36434%0.339SS..  trans-95.58.2-179570000115R43 K44 N59R43-S61 WeakPolarHBondContact CA-O 3.49Å; K44-S61 PolarHBondContact N-O 3.35Å; K44-S61 VanDerWaalsContact N-O 3.13Å; N59-S61 PolarHBondContact O-N 3.19Å
62H74.9Confident65.8Low66 Ų6668.7 Ų68.731%0.30635%0.348SS..BIsolated β-bridgetrans-134.3152.3-177.1-54.8-13.2000110.5V42 V60 L64V42-H62 CarbonylContact O-C 3.51Å; V42-H62 WeakPolarHBondContact O-CA 3.48Å; V60-H62 WeakPolarHBondContact CG1-O 3.42Å; H62-L64 PolarHBondContact O-N 2.85Å
63I73.4Confident66.4Low1 Ų169 Ų691%0.00535%0.347CS..PPolyproline II helixtrans-72.2117.3179.1-52.3178.2000110.1I33 Y41 V42 V51 F89 E91I33-I63 HydrophobicContact CB-CG2 4.43Å; I33-I63 HydrophobicContact CD1-CG2 4.18Å; I33-I63 HydrophobicContact CG1-CG2 4.37Å; I33-I63 HydrophobicContact CG2-CD1 4.41Å; Y41-I63 VanDerWaalsContact CD1-O 3.32Å; Y41-I63 WeakPolarHBondContact CD1-O 3.3Å; V42-I63 HydrophobicContact CB-CD1 4.08Å; V42-I63 HydrophobicContact CG1-CD1 3.94Å; V42-I63 PolarHBondContact O-N 3.01Å; V51-I63 HydrophobicContact CG1-CG1 4.19Å; V51-I63 HydrophobicContact CG1-CG2 3.93Å; I63-F89 HydrophobicContact CG2-CD1 3.73Å; I63-F89 HydrophobicContact CG2-CE1 4.14Å; I63-E91 HydrophobicContact CD1-CG 3.91Å; I63-E91 HydrophobicContact CG1-CG 4.35Å
64L72.7Confident66.6Low66 Ų6673.2 Ų73.235%0.34636%0.355SS..PPolyproline II helixtrans-76.9151.2176.1-58.9176.9000111.9E56 V60 H62E56-L64 HydrophobicContact CG-CD1 4.16Å; V60-L64 HydrophobicContact CG1-CD1 4.14Å; V60-L64 HydrophobicContact CG1-CD2 4.07Å; V60-L64 HydrophobicContact CG1-CG 3.92Å; H62-L64 PolarHBondContact O-N 2.85Å
65P76.3Confident67.5Low38 Ų3873.2 Ų73.225%0.24736%0.355CS..PPolyproline II helixtrans-72.3139.3176.430.3-34.7000112K30 I31 Y41K30-P65 HydrophobicContact CG-CB 4.36Å; I31-P65 CarbonylContact O-C 3.58Å; I31-P65 WeakPolarHBondContact O-CA 3.27Å; I31-P65 WeakPolarHBondContact O-CB 3.25Å; Y41-P65 HydrophobicContact CE1-CB 4.38Å; Y41-P65 HydrophobicContact CE1-CG 4.21Å
66I75.3Confident68.2Low22 Ų2271 Ų7111%0.11335%0.351CS..EExtended strand (participates in β ladder)trans-106.9146.4178.1-57.8174.5000109.4K30 I31 S52 I87 F89K30-I66 WeakPolarHBondContact CA-O 3.47Å; I31-I66 PolarHBondContact N-O 3.48Å; I31-I66 PolarHBondContact O-N 2.95Å; S52-I66 WeakPolarHBondContact O-CD1 3.21Å; I66-I87 HydrophobicContact CB-CG2 3.94Å; I66-I87 HydrophobicContact CD1-CG2 3.76Å; I66-I87 HydrophobicContact CG1-CG2 4.45Å; I66-I87 HydrophobicContact CG2-CD1 4.06Å; I66-I87 HydrophobicContact CG2-CG1 4.18Å; I66-I87 HydrophobicContact CG2-CG2 3.75Å; I66-F89 HydrophobicContact CB-CE1 4.2Å; I66-F89 HydrophobicContact CB-CZ 4.14Å; I66-F89 HydrophobicContact CD1-CD1 3.54Å; I66-F89 HydrophobicContact CD1-CD2 4.47Å; I66-F89 HydrophobicContact CD1-CE1 3.41Å; I66-F89 VanDerWaalsContact CD1-CE1 3.41Å; I66-F89 HydrophobicContact CD1-CE2 4.36Å; I66-F89 HydrophobicContact CD1-CG 4.09Å; I66-F89 HydrophobicContact CD1-CZ 3.85Å; I66-F89 HydrophobicContact CG1-CD1 4.19Å; I66-F89 HydrophobicContact CG1-CE1 3.61Å; I66-F89 HydrophobicContact CG1-CZ 4.04Å
67I75.6Confident68.2Low56 Ų5677.1 Ų77.129%0.28738%0.377SS..EExtended strand (participates in β ladder)trans-116.2139.1178.6-38-176000110.4M28 V29 K30 R211M28-I67 HydrophobicContact CB-CG2 3.8Å; M28-I67 HydrophobicContact CE-CB 4.45Å; M28-I67 HydrophobicContact CE-CG2 3.78Å; V29-I67 WeakPolarHBondContact O-CA 3.13Å; K30-I67 HydrophobicContact CB-CD1 4.43Å; K30-I67 HydrophobicContact CB-CG1 4.03Å; K30-I67 HydrophobicContact CB-CG2 4.14Å; K30-I67 HydrophobicContact CD-CD1 4.18Å; K30-I67 HydrophobicContact CD-CG1 4.4Å; K30-I67 HydrophobicContact CG-CD1 4.32Å; K30-I67 HydrophobicContact CG-CG1 3.99Å; I67-R211 PolarHBondContact O-NH1 3.33Å
68T79.5Confident68.7Low2 Ų271.6 Ų71.61%0.01236%0.356CS..PPolyproline II helixtrans-60.3166.6168.363.60000111.6V12 M28 V29 W83 E85 I87V12-T68 HydrophobicContact CB-CG2 4.2Å; V12-T68 HydrophobicContact CG1-CG2 4.38Å; V12-T68 HydrophobicContact CG2-CG2 4.1Å; M28-T68 WeakPolarHBondContact CE-O 3.48Å; V29-T68 HydrophobicContact CB-CG2 3.96Å; V29-T68 PolarHBondContact N-OG1 3.34Å; V29-T68 PolarHBondContact O-N 3.06Å; T68-W83 HydrophobicContact CG2-CG 4.4Å; T68-W83 PolarHBondContact OG1-NE1 3.46Å; T68-E85 VanDerWaalsContact CA-OE2 3.27Å; T68-E85 WeakPolarHBondContact CA-OE2 3.29Å; T68-E85 WeakPolarHBondContact CB-OE2 3.37Å; T68-I87 HydrophobicContact CG2-CD1 3.84Å
69Q72.7Confident69.4Low119 Ų11967.7 Ų67.756%0.55634%0.34SS*.PPolyproline II helixtrans-62153.8164.9-63.1-169.76.200111.1F71 W83 E85Q69-F71 PolarHBondContact O-N 3.48Å; Q69-W83 VanDerWaalsContact O-CD1 3.28Å; Q69-E85 PolarHBondContact N-OE2 2.97Å
70P75.3Confident70.2Confident63 Ų6362.9 Ų62.941%0.40931%0.313SS..PPolyproline II helixtrans-68.1127.7171.927.2-32.2000111.1H26 M28 D72 F115H26-P70 HydrophobicContact CB-CB 3.99Å; M28-P70 HydrophobicContact CG-CB 4.01Å; M28-P70 HydrophobicContact SD-CB 4.15Å; P70-D72 PolarHBondContact O-N 2.9Å; P70-F115 HydrophobicContact CB-CE2 4.26Å
71F74Confident70.8Confident10 Ų1061.6 Ų61.64%0.04431%0.305CS..  trans-80.5101.6176.1-174.1-91.5000110.6H26 P27 Q69 F73 N76 P81 E82H26-F71 WeakPolarHBondContact CA-O 3.28Å; P27-F71 HydrophobicContact CG-CB 4.33Å; P27-F71 PolarHBondContact O-N 3.24Å; P27-F71 VanDerWaalsContact O-N 3.15Å; Q69-F71 PolarHBondContact O-N 3.48Å; F71-F73 AromaticContact CD1-CD1 3.74Å; F71-F73 HydrophobicContact CD1-CD1 3.74Å; F71-F73 HydrophobicContact CD1-CE1 4.01Å; F71-F73 HydrophobicContact CD1-CG 4.16Å; F71-F73 AromaticContact CE1-CD1 3.56Å; F71-F73 HydrophobicContact CE1-CD1 3.56Å; F71-F73 HydrophobicContact CE1-CE1 4.06Å; F71-F73 HydrophobicContact CE1-CG 4.2Å; F71-F73 PolarHBondContact O-N 2.95Å; F71-N76 HydrophobicContact CE1-CB 4.49Å; F71-N76 HydrophobicContact CE2-CB 4.32Å; F71-N76 WeakPolarHBondContact CE2-ND2 3.48Å; F71-N76 HydrophobicContact CZ-CB 3.81Å; F71-N76 WeakPolarHBondContact CZ-ND2 3.41Å; F71-P81 HydrophobicContact CD1-CB 4.17Å; F71-P81 HydrophobicContact CG-CB 4.24Å; F71-E82 WeakPolarHBondContact CD2-O 3.26Å; F71-E82 HydrophobicContact CE2-CB 4.25Å; F71-E82 WeakPolarHBondContact CE2-O 3.37Å
72D67.2Low71.6Confident40 Ų4061.8 Ų61.821%0.21430%0.301CS..  trans-79.2102.3172.3-169.8-21.4000110.6P70 R74 K75P70-D72 PolarHBondContact O-N 2.9Å; D72-R74 PolarHBondContact O-N 3.29Å; D72-R74 VanDerWaalsContact O-N 3.13Å; D72-R74 WeakPolarHBondContact OD1-CB 3.48Å; D72-R74 WeakPolarHBondContact OD1-CG 2.94Å; D72-R74 IonicContact OD1-CZ 3.73Å; D72-R74 PolarHBondContact OD1-N 3.34Å; D72-R74 IonicContact OD1-NE 2.76Å; D72-R74 PolarHBondContact OD1-NE 2.83Å; D72-R74 IonicContact OD1-NH2 2.74Å; D72-R74 IonicContact OD2-CZ 2.96Å; D72-R74 IonicContact OD2-NE 3.44Å; D72-R74 PolarHBondContact OD2-NE 2.98Å; D72-R74 VanDerWaalsContact OD2-NE 3.14Å; D72-R74 IonicContact OD2-NH2 2.73Å; D72-R74 PolarHBondContact OD2-NH2 3.12Å; D72-K75 HydrophobicContact CB-CB 4.47Å; D72-K75 PolarHBondContact O-N 3.41Å
73F69.7Low72Confident25 Ų2560 Ų6011%0.1129%0.291CS..Hα-helixtrans-52.9-30.9176.2-63.7-75000113.3I24 S25 P27 F71 N76 K77 S78 P81 I492I24-F73 HydrophobicContact CG2-CE2 4.16Å; I24-F73 HydrophobicContact CG2-CZ 4.28Å; S25-F73 VanDerWaalsContact O-CD2 3.24Å; S25-F73 WeakPolarHBondContact O-CD2 3.31Å; P27-F73 VanDerWaalsContact CD-CE2 3.41Å; P27-F73 HydrophobicContact CG-CE1 4.45Å; P27-F73 HydrophobicContact CG-CE2 4Å; P27-F73 HydrophobicContact CG-CZ 3.65Å; F71-F73 AromaticContact CD1-CD1 3.74Å; F71-F73 HydrophobicContact CD1-CD1 3.74Å; F71-F73 HydrophobicContact CD1-CE1 4.01Å; F71-F73 HydrophobicContact CD1-CG 4.16Å; F71-F73 AromaticContact CE1-CD1 3.56Å; F71-F73 HydrophobicContact CE1-CD1 3.56Å; F71-F73 HydrophobicContact CE1-CE1 4.06Å; F71-F73 HydrophobicContact CE1-CG 4.2Å; F71-F73 PolarHBondContact O-N 2.95Å; F73-N76 PolarHBondContact O-N 3.19Å; F73-K77 PolarHBondContact O-N 3.4Å; F73-S78 VanDerWaalsContact CD1-O 3.29Å; F73-S78 WeakPolarHBondContact CD1-O 3.32Å; F73-P81 HydrophobicContact CE1-CG 3.94Å; F73-P81 HydrophobicContact CZ-CG 4.15Å; F73-I492 HydrophobicContact CB-CG2 3.54Å
74R59Low72.4Confident139 Ų13965.8 Ų65.853%0.52532%0.318SS..Hα-helixtrans-69.3-39.1-175.2-48.5176.6-70.3175.2-1.7111.6D72 N76 R491 I492D72-R74 PolarHBondContact O-N 3.29Å; D72-R74 VanDerWaalsContact O-N 3.13Å; D72-R74 WeakPolarHBondContact OD1-CB 3.48Å; D72-R74 WeakPolarHBondContact OD1-CG 2.94Å; D72-R74 IonicContact OD1-CZ 3.73Å; D72-R74 PolarHBondContact OD1-N 3.34Å; D72-R74 IonicContact OD1-NE 2.76Å; D72-R74 PolarHBondContact OD1-NE 2.83Å; D72-R74 IonicContact OD1-NH2 2.74Å; D72-R74 IonicContact OD2-CZ 2.96Å; D72-R74 IonicContact OD2-NE 3.44Å; D72-R74 PolarHBondContact OD2-NE 2.98Å; D72-R74 VanDerWaalsContact OD2-NE 3.14Å; D72-R74 IonicContact OD2-NH2 2.73Å; D72-R74 PolarHBondContact OD2-NH2 3.12Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-R491 WeakPolarHBondContact CD-O 3.21Å; R74-R491 WeakPolarHBondContact CG-O 3.11Å; R74-I492 HydrophobicContact CG-CG2 3.7Å
75K64.3Low72.8Confident179 Ų17963.7 Ų63.778%0.77831%0.307SS*.Hα-helixtrans-66.5-35.2177.4-172.7-179.6178.3-176.70111.8D72D72-K75 HydrophobicContact CB-CB 4.47Å; D72-K75 PolarHBondContact O-N 3.41Å
76N60.1Low73Confident78 Ų7865.2 Ų65.242%0.41731%0.311SS..Hα-helixtrans-106.12.2-168.7-63.6-15.3000114.3F71 F73 R74 S78F71-N76 HydrophobicContact CE1-CB 4.49Å; F71-N76 HydrophobicContact CE2-CB 4.32Å; F71-N76 WeakPolarHBondContact CE2-ND2 3.48Å; F71-N76 HydrophobicContact CZ-CB 3.81Å; F71-N76 WeakPolarHBondContact CZ-ND2 3.41Å; F73-N76 PolarHBondContact O-N 3.19Å; R74-N76 VanDerWaalsContact C-N 3.31Å; N76-S78 PolarHBondContact O-N 2.81Å; N76-S78 PolarHBondContact O-OG 2.57Å
77K61.8Low73.2Confident153 Ų15364.4 Ų64.467%0.66531%0.306SS*.THydrogen-bonded Turntrans4431.8178.4-68.8-159.2171.6-155.10115.5F73 E456F73-K77 PolarHBondContact O-N 3.4Å; K77-E456 IonicContact NZ-OE1 2.87Å
78S68.1Low73.2Confident39 Ų3965.1 Ų65.127%0.27331%0.31SS..  trans-124.8150.6-172.7370000111.2F73 N76F73-S78 VanDerWaalsContact CD1-O 3.29Å; F73-S78 WeakPolarHBondContact CD1-O 3.32Å; N76-S78 PolarHBondContact O-N 2.81Å; N76-S78 PolarHBondContact O-OG 2.57Å
79I65.6Low73Confident90 Ų9065 Ų6546%0.46231%0.309SS..SBendtrans-93.1-5.9177.3-57.7168.4000110.7A494I79-A494 HydrophobicContact CG1-CB 4.47Å
80I76.6Confident73Confident54 Ų5462 Ų6228%0.27730%0.297SS..SBendtrans-112.7122.8-176.9-61.7175.7000108.4T15 R17 E82T15-I80 WeakPolarHBondContact O-CG2 3.33Å; R17-I80 HydrophobicContact CG-CD1 4.17Å; R17-I80 HydrophobicContact CG-CG1 3.83Å; I80-E82 HydrophobicContact CG2-CG 4.45Å; I80-E82 PolarHBondContact O-N 2.84Å
81P78.9Confident73.1Confident1 Ų159 Ų591%0.00628%0.278CS..  trans-66118173.5-2031.2000112R14 T15 L18 P27 F71 F73 W83R14-P81 CarbonylContact C-O 3.55Å; R14-P81 WeakPolarHBondContact CA-O 3.46Å; R14-P81 VanDerWaalsContact CB-O 3.24Å; R14-P81 WeakPolarHBondContact CB-O 3.49Å; T15-P81 PolarHBondContact N-O 2.76Å; T15-P81 WeakPolarHBondContact OG1-CD 3.49Å; L18-P81 HydrophobicContact CD1-CG 4.03Å; P27-P81 HydrophobicContact CG-CB 4.02Å; P27-P81 HydrophobicContact CG-CG 3.68Å; F71-P81 HydrophobicContact CD1-CB 4.17Å; F71-P81 HydrophobicContact CG-CB 4.24Å; F73-P81 HydrophobicContact CE1-CG 3.94Å; F73-P81 HydrophobicContact CZ-CG 4.15Å; P81-W83 HydrophobicContact CB-CE3 4.44Å; P81-W83 HydrophobicContact CB-CH2 3.55Å; P81-W83 HydrophobicContact CB-CZ2 3.71Å; P81-W83 HydrophobicContact CB-CZ3 3.94Å; P81-W83 HydrophobicContact CG-CH2 4.37Å
82E82.3Confident73.1Confident57 Ų5763.1 Ų63.127%0.26629%0.293SS..  trans-122.690.6172.6-56.6-144.8162.200110.6H13 R14 F71 I80 Q84H13-E82 CarbonylContact O-C 3.5Å; R14-E82 HydrophobicContact CB-CB 4.08Å; R14-E82 HydrophobicContact CB-CG 3.7Å; R14-E82 WeakPolarHBondContact CD-OE1 3.25Å; R14-E82 IonicContact CZ-OE1 2.74Å; R14-E82 IonicContact NE-OE1 3.7Å; R14-E82 IonicContact NH1-OE1 3.14Å; R14-E82 PolarHBondContact NH1-OE1 3.07Å; F71-E82 WeakPolarHBondContact CD2-O 3.26Å; F71-E82 HydrophobicContact CE2-CB 4.25Å; F71-E82 WeakPolarHBondContact CE2-O 3.37Å; I80-E82 HydrophobicContact CG2-CG 4.45Å; I80-E82 PolarHBondContact O-N 2.84Å; E82-Q84 HydrophobicContact CB-CG 4.25Å; E82-Q84 PolarHBondContact OE2-NE2 3.23Å
83W83.4Confident73.6Confident27 Ų2761.4 Ų61.410%0.10228%0.284CS..  trans-69.5-35.4177.8-58.1-89.7000112.6V12 H13 T15 P27 V29 T68 Q69 P81 E85 L193V12-W83 HydrophobicContact CG1-CD2 4.23Å; V12-W83 HydrophobicContact CG1-CE3 3.7Å; V12-W83 HydrophobicContact CG1-CZ3 4.31Å; H13-W83 PolarHBondContact O-N 3.08Å; T15-W83 HydrophobicContact CG2-CH2 4.08Å; T15-W83 HydrophobicContact CG2-CZ3 4.03Å; P27-W83 HydrophobicContact CB-CZ2 4.13Å; P27-W83 HydrophobicContact CG-CZ2 4.43Å; P27-W83 PolarHBondContact O-NE1 3.02Å; V29-W83 HydrophobicContact CG2-CD2 4.13Å; V29-W83 HydrophobicContact CG2-CE3 4.05Å; V29-W83 HydrophobicContact CG2-CH2 3.52Å; V29-W83 HydrophobicContact CG2-CZ2 3.61Å; V29-W83 HydrophobicContact CG2-CZ3 3.76Å; T68-W83 HydrophobicContact CG2-CG 4.4Å; T68-W83 PolarHBondContact OG1-NE1 3.46Å; Q69-W83 VanDerWaalsContact O-CD1 3.28Å; P81-W83 HydrophobicContact CB-CE3 4.44Å; P81-W83 HydrophobicContact CB-CH2 3.55Å; P81-W83 HydrophobicContact CB-CZ2 3.71Å; P81-W83 HydrophobicContact CB-CZ3 3.94Å; P81-W83 HydrophobicContact CG-CH2 4.37Å; W83-E85 HydrophobicContact CB-CB 4.09Å; W83-E85 PolarHBondContact O-N 3.18Å; W83-E85 VanDerWaalsContact O-N 3.09Å; W83-L193 HydrophobicContact CZ3-CD1 4.03Å
84Q83Confident73.7Confident123 Ų12360.7 Ų60.758%0.57528%0.283SS*.  trans46.635.6-174.3-52.6-169.38.700113.1F11 V12 H13 E82F11-Q84 VanDerWaalsContact CZ-C 3.47Å; F11-Q84 HydrophobicContact CZ-CB 4.34Å; F11-Q84 WeakPolarHBondContact CZ-O 3.37Å; V12-Q84 CarbonylContact O-C 3.52Å; V12-Q84 WeakPolarHBondContact O-CA 3.4Å; V12-Q84 PolarHBondContact O-N 3.05Å; V12-Q84 VanDerWaalsContact O-N 3.15Å; H13-Q84 PolarHBondContact O-N 3.2Å; E82-Q84 HydrophobicContact CB-CG 4.25Å; E82-Q84 PolarHBondContact OE2-NE2 3.23Å
85E80Confident74.4Confident22 Ų2256.7 Ų56.710%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-106.1133.3-165.1-171.5178.8160.100111.8F11 V12 T68 Q69 W83 R211F11-E85 CarbonylContact C-O 3.56Å; F11-E85 WeakPolarHBondContact CA-O 3.35Å; V12-E85 PolarHBondContact N-O 3.45Å; V12-E85 PolarHBondContact O-N 2.9Å; T68-E85 VanDerWaalsContact CA-OE2 3.27Å; T68-E85 WeakPolarHBondContact CA-OE2 3.29Å; T68-E85 WeakPolarHBondContact CB-OE2 3.37Å; Q69-E85 PolarHBondContact N-OE2 2.97Å; W83-E85 HydrophobicContact CB-CB 4.09Å; W83-E85 PolarHBondContact O-N 3.18Å; W83-E85 VanDerWaalsContact O-N 3.09Å; E85-R211 IonicContact OE1-CZ 2.72Å; E85-R211 IonicContact OE1-NH1 3.85Å; E85-R211 PolarHBondContact OE1-NH1 3.41Å; E85-R211 IonicContact OE1-NH2 2.64Å; E85-R211 PolarHBondContact OE1-NH2 3.38Å
86Q80.3Confident74.8Confident71 Ų7148.4 Ų48.433%0.33223%0.233SC..EExtended strand (participates in β ladder)trans-98.7110.5174.3-162.8176.1-100.300110.7F11 I200F11-Q86 HydrophobicContact CD2-CB 3.64Å; F11-Q86 HydrophobicContact CD2-CG 3.94Å; F11-Q86 HydrophobicContact CE2-CB 4.12Å; Q86-I200 VanDerWaalsContact CD-CD1 3.42Å; Q86-I200 HydrophobicContact CG-CD1 4.04Å
87I80.3Confident75.3Confident4 Ų445 Ų452%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-90.2136.2170.1-71.2166.8000108.4G9 V10 I31 I66 T68 F89G9-I87 WeakPolarHBondContact CA-O 3.49Å; V10-I87 PolarHBondContact N-O 3.04Å; V10-I87 PolarHBondContact O-N 3.47Å; I31-I87 HydrophobicContact CD1-CB 4.41Å; I31-I87 HydrophobicContact CD1-CD1 3.63Å; I31-I87 HydrophobicContact CG1-CD1 4.32Å; I66-I87 HydrophobicContact CB-CG2 3.94Å; I66-I87 HydrophobicContact CD1-CG2 3.76Å; I66-I87 HydrophobicContact CG1-CG2 4.45Å; I66-I87 HydrophobicContact CG2-CD1 4.06Å; I66-I87 HydrophobicContact CG2-CG1 4.18Å; I66-I87 HydrophobicContact CG2-CG2 3.75Å; T68-I87 HydrophobicContact CG2-CD1 3.84Å; I87-F89 HydrophobicContact CG2-CD2 4.05Å; I87-F89 HydrophobicContact CG2-CE2 3.56Å; I87-F89 HydrophobicContact CG2-CZ 4Å
88I76.1Confident75.6Confident71 Ų7141.9 Ų41.936%0.36420%0.203SC..EExtended strand (participates in β ladder)trans-120.2127.9177.8-55.9177.2000107.7V7 I200V7-I88 HydrophobicContact CG1-CG2 3.76Å; I88-I200 HydrophobicContact CG1-CD1 4.5Å
89F75.2Confident74.9Confident0 Ų047.1 Ų47.10%022%0.223CC..EExtended strand (participates in β ladder)trans-103.8120.5170.7-64.1-96.5000107.4V7 L8 V10 I31 I33 V51 I63 I66 I87 E91V7-F89 WeakPolarHBondContact CG1-O 3.47Å; L8-F89 HydrophobicContact CB-CB 4.33Å; L8-F89 HydrophobicContact CD2-CB 4.23Å; L8-F89 HydrophobicContact CD2-CD2 4.13Å; L8-F89 HydrophobicContact CD2-CG 4.37Å; L8-F89 HydrophobicContact CG-CD2 4.45Å; L8-F89 PolarHBondContact N-O 3.12Å; L8-F89 PolarHBondContact O-N 3.4Å; V10-F89 HydrophobicContact CG2-CD2 4.38Å; V10-F89 HydrophobicContact CG2-CE2 4.09Å; I31-F89 HydrophobicContact CB-CZ 4.2Å; I31-F89 HydrophobicContact CG2-CE2 4.3Å; I31-F89 HydrophobicContact CG2-CZ 4.03Å; I33-F89 HydrophobicContact CD1-CB 4.45Å; I33-F89 HydrophobicContact CD1-CD1 3.63Å; I33-F89 HydrophobicContact CD1-CD2 3.87Å; I33-F89 HydrophobicContact CD1-CE1 3.67Å; I33-F89 HydrophobicContact CD1-CE2 3.92Å; I33-F89 HydrophobicContact CD1-CG 3.73Å; I33-F89 HydrophobicContact CD1-CZ 3.82Å; I33-F89 HydrophobicContact CG1-CD1 4.38Å; I33-F89 HydrophobicContact CG1-CE1 3.96Å; I33-F89 HydrophobicContact CG1-CZ 4.05Å; V51-F89 HydrophobicContact CG1-CB 4.45Å; I63-F89 HydrophobicContact CG2-CD1 3.73Å; I63-F89 HydrophobicContact CG2-CE1 4.14Å; I66-F89 HydrophobicContact CB-CE1 4.2Å; I66-F89 HydrophobicContact CB-CZ 4.14Å; I66-F89 HydrophobicContact CD1-CD1 3.54Å; I66-F89 HydrophobicContact CD1-CD2 4.47Å; I66-F89 HydrophobicContact CD1-CE1 3.41Å; I66-F89 VanDerWaalsContact CD1-CE1 3.41Å; I66-F89 HydrophobicContact CD1-CE2 4.36Å; I66-F89 HydrophobicContact CD1-CG 4.09Å; I66-F89 HydrophobicContact CD1-CZ 3.85Å; I66-F89 HydrophobicContact CG1-CD1 4.19Å; I66-F89 HydrophobicContact CG1-CE1 3.61Å; I66-F89 HydrophobicContact CG1-CZ 4.04Å; I87-F89 HydrophobicContact CG2-CD2 4.05Å; I87-F89 HydrophobicContact CG2-CE2 3.56Å; I87-F89 HydrophobicContact CG2-CZ 4Å; F89-E91 PolarHBondContact O-N 2.97Å
90N72.8Confident74.7Confident55 Ų5547.3 Ų47.329%0.29422%0.224SC..EExtended strand (participates in β ladder)trans-77.150.8-171.3-177.840.6000113.3R49 P50 V51R49-N90 PolarHBondContact NE-ND2 3.04Å; R49-N90 PolarHBondContact NE-O 3.05Å; R49-N90 PolarHBondContact NH2-OD1 2.73Å; P50-N90 PolarHBondContact O-ND2 3.27Å; V51-N90 PolarHBondContact O-N 3.09Å
91E76.6Confident73.6Confident2 Ų254.8 Ų54.81%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-122.6151.7180-87.2-71.2-178.900111V7 L8 K44 E45 V51 I63 F89 F93V7-E91 WeakPolarHBondContact CA-O 3.47Å; L8-E91 PolarHBondContact N-O 3.37Å; K44-E91 WeakPolarHBondContact CA-OE1 3.42Å; K44-E91 VanDerWaalsContact CB-OE1 3.26Å; K44-E91 WeakPolarHBondContact CB-OE1 3.47Å; E45-E91 WeakPolarHBondContact CB-OE2 3.37Å; E45-E91 PolarHBondContact N-OE1 3.05Å; V51-E91 HydrophobicContact CB-CG 4.28Å; V51-E91 HydrophobicContact CG1-CB 4.38Å; V51-E91 HydrophobicContact CG1-CG 3.51Å; V51-E91 HydrophobicContact CG2-CG 3.71Å; I63-E91 HydrophobicContact CD1-CG 3.91Å; I63-E91 HydrophobicContact CG1-CG 4.35Å; F89-E91 PolarHBondContact O-N 2.97Å; E91-F93 PolarHBondContact O-N 3.18Å
92R74.8Confident72.4Confident96 Ų9659.7 Ų59.736%0.36229%0.292SS..EExtended strand (participates in β ladder)trans-63.6124.6-179.6-75.9-164.9-178.8112.70.1110.7E45 G94 Y95 V96E45-R92 IonicContact OE1-CZ 3.14Å; E45-R92 IonicContact OE1-NH1 3.78Å; E45-R92 PolarHBondContact OE1-NH1 3.01Å; E45-R92 WeakPolarHBondContact OE2-CB 3.47Å; E45-R92 WeakPolarHBondContact OE2-CD 3.5Å; E45-R92 WeakPolarHBondContact OE2-CG 3.36Å; E45-R92 IonicContact OE2-CZ 3.67Å; E45-R92 IonicContact OE2-NE 2.75Å; E45-R92 IonicContact OE2-NH1 3.62Å; E45-R92 PolarHBondContact OE2-NH1 3.06Å; R92-G94 PolarHBondContact O-N 2.88Å; R92-Y95 PolarHBondContact O-N 2.81Å; R92-Y95 VanDerWaalsContact O-N 3.11Å; R92-V96 PolarHBondContact O-N 3.48Å
93F76.9Confident71.5Confident3 Ų357.9 Ų57.91%0.01329%0.287CS..Hα-helixtrans-60.1-33.1177.2-175.9-108.9000112.2F2 L6 L8 E91 V97 I153F2-F93 HydrophobicContact CD1-CD1 4.02Å; F2-F93 AromaticContact CD1-CE1 3.86Å; F2-F93 HydrophobicContact CD1-CE1 3.86Å; F2-F93 HydrophobicContact CE1-CD1 4.42Å; F2-F93 AromaticContact CE1-CE1 3.83Å; F2-F93 HydrophobicContact CE1-CE1 3.83Å; F2-F93 HydrophobicContact CG-CD1 4.27Å; F2-F93 HydrophobicContact CG-CE1 4.47Å; F2-F93 HydrophobicContact CZ-CE1 4.4Å; L6-F93 HydrophobicContact CB-CB 3.87Å; L6-F93 HydrophobicContact CB-CD1 4.47Å; L6-F93 HydrophobicContact CB-CG 4.5Å; L6-F93 VanDerWaalsContact O-CB 3.3Å; L6-F93 WeakPolarHBondContact O-CB 3.29Å; L6-F93 PolarHBondContact O-N 2.93Å; L8-F93 HydrophobicContact CB-CD2 4.47Å; L8-F93 HydrophobicContact CD1-CD2 3.86Å; L8-F93 HydrophobicContact CD1-CE2 3.99Å; E91-F93 PolarHBondContact O-N 3.18Å; F93-V97 HydrophobicContact CD2-CG2 4.42Å; F93-V97 HydrophobicContact CE1-CG2 4.36Å; F93-V97 HydrophobicContact CE2-CG2 4.01Å; F93-V97 HydrophobicContact CZ-CG2 3.97Å; F93-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 PolarHBondContact O-N 2.85Å; F93-I153 HydrophobicContact CE2-CG2 4.39Å; F93-I153 HydrophobicContact CZ-CD1 3.92Å; F93-I153 HydrophobicContact CZ-CG2 3.66Å
94G70.9Confident70.7Confident10 Ų1057.6 Ų57.610%0.10329%0.288CS..Hα-helixtrans-60.4-48.5172.200000113.4R92 V96 V97 Q98R92-G94 PolarHBondContact O-N 2.88Å; G94-V96 PolarHBondContact O-N 2.82Å; G94-V97 PolarHBondContact O-N 2.87Å; G94-V97 VanDerWaalsContact O-N 3.08Å; G94-Q98 WeakPolarHBondContact O-CB 3.46Å; G94-Q98 WeakPolarHBondContact O-CG 3.41Å; G94-Q98 PolarHBondContact O-N 3.45Å
95Y75.1Confident70.4Confident56 Ų5659.2 Ų59.222%0.2229%0.289CS..Hα-helixtrans-59.4-33.5-178.2178.6-110000112.9V42 E45 R92 P104V42-Y95 HydrophobicContact CG1-CE1 4.37Å; E45-Y95 HydrophobicContact CB-CD1 4.23Å; E45-Y95 HydrophobicContact CB-CE1 4.45Å; E45-Y95 HydrophobicContact CB-CG 4.34Å; R92-Y95 PolarHBondContact O-N 2.81Å; R92-Y95 VanDerWaalsContact O-N 3.11Å; Y95-P104 HydrophobicContact CE1-CG 4.1Å
96V72.4Confident70.5Confident5 Ų558.7 Ų58.73%0.0329%0.288CS..Hα-helixtrans-77.9-17.7179.9171.70000113.5L8 R92 G94 V106 L144L8-V96 HydrophobicContact CD1-CG1 4.34Å; L8-V96 HydrophobicContact CD2-CG1 4.15Å; L8-V96 HydrophobicContact CD2-CG2 4.4Å; R92-V96 PolarHBondContact O-N 3.48Å; G94-V96 PolarHBondContact O-N 2.82Å; V96-V106 HydrophobicContact CG1-CB 4.31Å; V96-V106 HydrophobicContact CG1-CG1 4.23Å; V96-V106 HydrophobicContact CG1-CG2 4.13Å; V96-L144 HydrophobicContact CG1-CD1 3.46Å; V96-L144 VanDerWaalsContact CG1-CD1 3.46Å
97V70.8Confident70.8Confident7 Ų755.4 Ų55.44%0.04227%0.272CS..Hα-helixtrans-122.5-19.4-169-179.20000113.6F2 F93 G94 L144 L151 I153F2-V97 HydrophobicContact CE2-CB 4.1Å; F2-V97 HydrophobicContact CE2-CG1 3.7Å; F2-V97 HydrophobicContact CZ-CB 4.46Å; F2-V97 HydrophobicContact CZ-CG1 3.73Å; F93-V97 HydrophobicContact CD2-CG2 4.42Å; F93-V97 HydrophobicContact CE1-CG2 4.36Å; F93-V97 HydrophobicContact CE2-CG2 4.01Å; F93-V97 HydrophobicContact CZ-CG2 3.97Å; F93-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 PolarHBondContact O-N 2.85Å; G94-V97 PolarHBondContact O-N 2.87Å; G94-V97 VanDerWaalsContact O-N 3.08Å; V97-L144 HydrophobicContact CG2-CD1 4.48Å; V97-L151 HydrophobicContact CG1-CD1 4.28Å; V97-L151 HydrophobicContact CG1-CD2 3.76Å; V97-I153 HydrophobicContact CG1-CD1 3.89Å; V97-I153 HydrophobicContact CG2-CD1 3.95Å
98Q66.8Low71.1Confident86 Ų8655.2 Ų55.240%0.40227%0.271SS..  trans-68.9138.6-178-79.1171.225.400113.4G94 I100 A103G94-Q98 WeakPolarHBondContact O-CB 3.46Å; G94-Q98 WeakPolarHBondContact O-CG 3.41Å; G94-Q98 PolarHBondContact O-N 3.45Å; Q98-I100 HydrophobicContact CB-CG1 4.38Å; Q98-I100 PolarHBondContact O-N 3.18Å; Q98-A103 WeakPolarHBondContact O-CB 3.41Å
99Q54.9Low71.7Confident149 Ų14951.8 Ų51.870%0.69625%0.254SS*.  trans-95.763176.7-62.2-177.11200111.4I145Q99-I145 HydrophobicContact CG-CD1 3.8Å
100I60.5Low72.4Confident95 Ų9551.8 Ų51.849%0.48725%0.254SS..  trans-99.5147.3170.3-54.3175.1000107.8Q98 S102 A103Q98-I100 HydrophobicContact CB-CG1 4.38Å; Q98-I100 PolarHBondContact O-N 3.18Å; I100-S102 WeakPolarHBondContact CG2-OG 3.47Å; I100-S102 PolarHBondContact O-N 2.98Å; I100-S102 VanDerWaalsContact O-N 3.07Å; I100-A103 HydrophobicContact CB-CB 4.27Å; I100-A103 WeakPolarHBondContact O-CB 3.39Å; I100-A103 PolarHBondContact O-N 3.43Å
101E53.3Low73.2Confident210 Ų21049.3 Ų49.398%0.98124%0.24SC*.THydrogen-bonded Turntrans-59.6-21.1-179.9-62.3-170.5133.900114
102S55.1Low73.6Confident104 Ų10449.2 Ų49.273%0.72724%0.24SC*.THydrogen-bonded Turntrans-91.3-4.1174.955.90000114.7I100I100-S102 WeakPolarHBondContact CG2-OG 3.47Å; I100-S102 PolarHBondContact O-N 2.98Å; I100-S102 VanDerWaalsContact O-N 3.07Å
103A61.8Low74.1Confident19 Ų1944.9 Ų44.916%0.15722%0.224CC..SBendtrans-91.3144.5-177.200000112.5Q98 I100Q98-A103 WeakPolarHBondContact O-CB 3.41Å; I100-A103 HydrophobicContact CB-CB 4.27Å; I100-A103 WeakPolarHBondContact O-CB 3.39Å; I100-A103 PolarHBondContact O-N 3.43Å
104P66.8Low74.3Confident21 Ų2144.7 Ų44.714%0.13622%0.223CC..  trans-70.8140.8-179.729.5-34.6000111.9D35 V42 Y95 V106D35-P104 HydrophobicContact CB-CB 4.25Å; V42-P104 HydrophobicContact CG1-CB 4.15Å; V42-P104 HydrophobicContact CG1-CG 3.8Å; V42-P104 HydrophobicContact CG2-CB 4.3Å; Y95-P104 HydrophobicContact CE1-CG 4.1Å; P104-V106 HydrophobicContact CB-CG2 4.23Å; P104-V106 HydrophobicContact CG-CG2 4.06Å; P104-V106 PolarHBondContact O-N 3.3Å; P104-V106 VanDerWaalsContact O-N 3.15Å
105R76.3Confident74.3Confident157 Ų15748.5 Ų48.559%0.59224%0.237SC*.  trans-87.286.5177-75.2-169.6176.3-162.2-0.7110.1D35 E36 L37 I107D35-R105 PolarHBondContact OD1-N 3.41Å; E36-R105 HydrophobicContact CB-CB 3.91Å; E36-R105 WeakPolarHBondContact CB-O 3.41Å; E36-R105 PolarHBondContact N-O 3.14Å; L37-R105 HydrophobicContact CD1-CG 4.42Å; R105-I107 PolarHBondContact O-N 3.21Å
106V82.2Confident73.9Confident12 Ų1248.2 Ų48.27%0.07324%0.238CC..EExtended strand (participates in β ladder)trans-74.4125.5-166-173.90000114I33 V42 V96 P104 L108 L144I33-V106 HydrophobicContact CG2-CG1 3.46Å; I33-V106 VanDerWaalsContact CG2-CG1 3.46Å; V42-V106 HydrophobicContact CG2-CG1 4.36Å; V42-V106 HydrophobicContact CG2-CG2 3.91Å; V96-V106 HydrophobicContact CG1-CB 4.31Å; V96-V106 HydrophobicContact CG1-CG1 4.23Å; V96-V106 HydrophobicContact CG1-CG2 4.13Å; P104-V106 HydrophobicContact CB-CG2 4.23Å; P104-V106 HydrophobicContact CG-CG2 4.06Å; P104-V106 PolarHBondContact O-N 3.3Å; P104-V106 VanDerWaalsContact O-N 3.15Å; V106-L108 HydrophobicContact CG1-CD2 4.43Å; V106-L144 HydrophobicContact CB-CD1 4.11Å; V106-L144 HydrophobicContact CG1-CD1 4.04Å
107I86.4Confident73.3Confident1 Ų150 Ų501%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-113.2130.5165.8-54.5-174.5000108.5V34 E36 R105 F109 F141 K143 W181V34-I107 PolarHBondContact N-O 3.26Å; V34-I107 PolarHBondContact O-N 3.34Å; E36-I107 HydrophobicContact CB-CD1 3.79Å; E36-I107 HydrophobicContact CB-CG1 4.07Å; E36-I107 HydrophobicContact CG-CD1 3.92Å; R105-I107 PolarHBondContact O-N 3.21Å; I107-F109 HydrophobicContact CB-CE2 4.12Å; I107-F109 HydrophobicContact CB-CZ 4.42Å; I107-F109 HydrophobicContact CG2-CD2 4.24Å; I107-F109 HydrophobicContact CG2-CE1 4.17Å; I107-F109 HydrophobicContact CG2-CE2 3.72Å; I107-F109 HydrophobicContact CG2-CZ 3.69Å; I107-F141 HydrophobicContact CG2-CB 4.48Å; I107-K143 HydrophobicContact CD1-CG 4.28Å; I107-K143 HydrophobicContact CG1-CG 4.19Å; I107-W181 HydrophobicContact CD1-CH2 3.64Å; I107-W181 HydrophobicContact CD1-CZ2 3.73Å; I107-W181 HydrophobicContact CD1-CZ3 4.06Å
108L87.5Confident72.6Confident0 Ų056.8 Ų56.80%028%0.282CS..EExtended strand (participates in β ladder)trans-90.8131.4169.2-62.4-177.8000109.7V10 H32 I33 V106 F110 F141 L142 L144 V197V10-L108 HydrophobicContact CG2-CD1 4.13Å; H32-L108 WeakPolarHBondContact O-CA 3.36Å; I33-L108 HydrophobicContact CB-CD2 4.23Å; I33-L108 HydrophobicContact CD1-CD2 4.04Å; I33-L108 HydrophobicContact CG1-CD2 3.7Å; I33-L108 HydrophobicContact CG2-CD2 4.14Å; V106-L108 HydrophobicContact CG1-CD2 4.43Å; L108-F110 HydrophobicContact CB-CE2 3.86Å; L108-F110 HydrophobicContact CB-CZ 4.07Å; L108-F110 HydrophobicContact CD1-CZ 4.22Å; L108-F141 CarbonylContact O-C 3.58Å; L108-F141 VanDerWaalsContact O-CA 3.31Å; L108-F141 WeakPolarHBondContact O-CA 3.46Å; L108-L142 HydrophobicContact CB-CB 4.39Å; L108-L142 PolarHBondContact N-O 2.89Å; L108-L142 PolarHBondContact O-N 3.33Å; L108-L144 HydrophobicContact CD1-CD2 3.86Å; L108-L144 HydrophobicContact CG-CD2 4.22Å; L108-V197 HydrophobicContact CD1-CG2 3.76Å
109F89Confident72.2Confident0 Ų059.5 Ų59.50%030%0.295CS..EExtended strand (participates in β ladder)trans-112.4140.8169.3-65.7-80.9000110.6I31 H32 V34 I107 F141 V177 F178 W181I31-F109 WeakPolarHBondContact CA-O 3.38Å; H32-F109 HydrophobicContact CB-CB 4.24Å; H32-F109 PolarHBondContact N-O 2.89Å; H32-F109 PolarHBondContact O-N 2.84Å; V34-F109 HydrophobicContact CB-CD2 4Å; V34-F109 HydrophobicContact CB-CE2 3.89Å; V34-F109 HydrophobicContact CG1-CE2 4.17Å; V34-F109 HydrophobicContact CG2-CD2 3.77Å; V34-F109 HydrophobicContact CG2-CE2 4.1Å; I107-F109 HydrophobicContact CB-CE2 4.12Å; I107-F109 HydrophobicContact CB-CZ 4.42Å; I107-F109 HydrophobicContact CG2-CD2 4.24Å; I107-F109 HydrophobicContact CG2-CE1 4.17Å; I107-F109 HydrophobicContact CG2-CE2 3.72Å; I107-F109 HydrophobicContact CG2-CZ 3.69Å; F109-F141 HydrophobicContact CD1-CB 3.53Å; F109-F141 HydrophobicContact CE1-CB 3.57Å; F109-F141 HydrophobicContact CE1-CG 4.43Å; F109-V177 HydrophobicContact CB-CB 4.35Å; F109-V177 HydrophobicContact CB-CG1 3.99Å; F109-V177 HydrophobicContact CD1-CB 4.29Å; F109-V177 HydrophobicContact CD1-CG1 3.59Å; F109-V177 HydrophobicContact CE1-CG1 4.34Å; F109-V177 HydrophobicContact CG-CB 4.31Å; F109-V177 HydrophobicContact CG-CG1 3.97Å; F109-F178 HydrophobicContact CE2-CB 4.35Å; F109-F178 HydrophobicContact CE2-CD2 4.1Å; F109-F178 HydrophobicContact CZ-CB 4.5Å; F109-F178 HydrophobicContact CZ-CD2 4.12Å; F109-W181 HydrophobicContact CE1-CB 3.62Å; F109-W181 AromaticContact CE1-CD1 3.92Å; F109-W181 HydrophobicContact CE1-CD2 4.41Å; F109-W181 AromaticContact CE1-CG 3.71Å; F109-W181 HydrophobicContact CE1-CG 3.71Å; F109-W181 HydrophobicContact CZ-CB 3.92Å; F109-W181 HydrophobicContact CZ-CD2 4.15Å; F109-W181 HydrophobicContact CZ-CE3 4.48Å; F109-W181 AromaticContact CZ-CG 3.88Å; F109-W181 HydrophobicContact CZ-CG 3.88Å
110F89.9Confident72.4Confident0 Ų054.6 Ų54.60%027%0.272CS..EExtended strand (participates in β ladder)trans-118.9115179.2-59.1-91.3000108.5V10 V29 I31 L108 W139 A140 L142 L159 L193 V195V10-F110 HydrophobicContact CG1-CE1 3.95Å; V10-F110 HydrophobicContact CG1-CZ 4.16Å; V29-F110 HydrophobicContact CG1-CB 4.16Å; V29-F110 HydrophobicContact CG1-CD1 3.97Å; I31-F110 HydrophobicContact CD1-CD1 4.38Å; I31-F110 HydrophobicContact CD1-CE1 3.99Å; I31-F110 HydrophobicContact CG1-CD1 3.93Å; I31-F110 HydrophobicContact CG1-CE1 3.98Å; I31-F110 HydrophobicContact CG2-CD1 4.48Å; I31-F110 HydrophobicContact CG2-CE1 4.1Å; L108-F110 HydrophobicContact CB-CE2 3.86Å; L108-F110 HydrophobicContact CB-CZ 4.07Å; L108-F110 HydrophobicContact CD1-CZ 4.22Å; F110-W139 CarbonylContact O-C 3.56Å; F110-W139 WeakPolarHBondContact O-CA 3.35Å; F110-A140 HydrophobicContact CB-CB 4.32Å; F110-A140 PolarHBondContact N-O 3.05Å; F110-A140 PolarHBondContact O-N 3.07Å; F110-L142 HydrophobicContact CE2-CB 3.98Å; F110-L159 HydrophobicContact CD2-CD1 3.61Å; F110-L159 HydrophobicContact CE2-CD1 3.54Å; F110-L159 HydrophobicContact CG-CD1 4.4Å; F110-L159 HydrophobicContact CZ-CD1 4.27Å; F110-L193 HydrophobicContact CB-CD2 3.7Å; F110-L193 HydrophobicContact CD1-CD2 4.07Å; F110-L193 HydrophobicContact CG-CD2 3.89Å; F110-V195 HydrophobicContact CD1-CG2 4.35Å; F110-V195 HydrophobicContact CE1-CG1 3.92Å; F110-V195 HydrophobicContact CE1-CG2 3.99Å; F110-V195 HydrophobicContact CZ-CB 4.47Å; F110-V195 HydrophobicContact CZ-CG1 3.82Å; F110-V195 HydrophobicContact CZ-CG2 4.18Å
111E88.3Confident72.3Confident2 Ų251.7 Ų51.71%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-107.1118.8177.1171.7167.8-111.700109.7K30 H32 L113 K136 W139K30-E111 HydrophobicContact CB-CB 4.29Å; K30-E111 WeakPolarHBondContact CD-OE2 3.24Å; K30-E111 WeakPolarHBondContact CE-OE2 3.45Å; K30-E111 PolarHBondContact N-O 3.45Å; K30-E111 IonicContact NZ-OE2 2.73Å; K30-E111 PolarHBondContact NZ-OE2 2.69Å; K30-E111 PolarHBondContact O-N 3.02Å; H32-E111 IonicContact NE2-OE2 2.62Å; E111-L113 HydrophobicContact CG-CD2 3.61Å; E111-L113 HydrophobicContact CG-CG 3.93Å; E111-K136 WeakPolarHBondContact OE1-CD 3.33Å; E111-K136 WeakPolarHBondContact OE1-CE 3.33Å; E111-K136 WeakPolarHBondContact OE1-CG 3.34Å; E111-W139 PolarHBondContact OE1-NE1 3.17Å
112I87.1Confident72.6Confident0 Ų049.4 Ų49.40%025%0.249CC..EExtended strand (participates in β ladder)trans-87.8116.7174.9-53.9-170.7000108.5T15 L18 P27 M28 V29 I137 A138 L161T15-I112 HydrophobicContact CG2-CD1 3.78Å; L18-I112 HydrophobicContact CD1-CG2 4.44Å; L18-I112 HydrophobicContact CD2-CD1 4.26Å; P27-I112 HydrophobicContact CB-CG2 4.45Å; M28-I112 CarbonylContact O-C 3.55Å; M28-I112 WeakPolarHBondContact O-CA 3.14Å; V29-I112 HydrophobicContact CG2-CG1 4.46Å; I112-I137 HydrophobicContact CB-CB 4.37Å; I112-I137 HydrophobicContact CG2-CB 4.13Å; I112-I137 HydrophobicContact CG2-CD1 4.16Å; I112-I137 HydrophobicContact CG2-CG2 4.48Å; I112-I137 PolarHBondContact O-N 2.62Å; I112-A138 HydrophobicContact CD1-CB 4.46Å; I112-A138 PolarHBondContact N-O 3.01Å; I112-L161 HydrophobicContact CD1-CD1 3.8Å; I112-L161 HydrophobicContact CD1-CD2 3.61Å; I112-L161 HydrophobicContact CD1-CG 4.39Å; I112-L161 HydrophobicContact CG1-CD2 4.18Å
113L84.2Confident72.7Confident5 Ų548.4 Ų48.43%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-112.3161.6-179.9-63-177.4000111.7P27 M28 K30 E111 F134 R135 K136P27-L113 CarbonylContact C-O 3.56Å; P27-L113 VanDerWaalsContact CA-O 3.31Å; P27-L113 WeakPolarHBondContact CA-O 3.27Å; M28-L113 PolarHBondContact N-O 3.14Å; M28-L113 PolarHBondContact O-N 3.29Å; K30-L113 HydrophobicContact CB-CD1 4.27Å; K30-L113 HydrophobicContact CD-CD1 3.68Å; E111-L113 HydrophobicContact CG-CD2 3.61Å; E111-L113 HydrophobicContact CG-CG 3.93Å; L113-F134 HydrophobicContact CB-CD1 4.4Å; L113-F134 HydrophobicContact CD1-CB 4.36Å; L113-F134 HydrophobicContact CD1-CD1 4.31Å; L113-F134 HydrophobicContact CD1-CG 4.31Å; L113-F134 HydrophobicContact CD2-CB 4.42Å; L113-R135 CarbonylContact C-O 3.3Å; L113-R135 VanDerWaalsContact CA-O 3.31Å; L113-R135 WeakPolarHBondContact CA-O 3.33Å; L113-K136 HydrophobicContact CD2-CB 4.43Å; L113-K136 HydrophobicContact CD2-CG 3.65Å
114D80.2Confident72.3Confident0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-147.1163.1162.8-176.634.3000110.8I24 S25 H26 F134 R135 I137I24-D114 VanDerWaalsContact CA-OD2 3.28Å; I24-D114 WeakPolarHBondContact CA-OD2 3.36Å; S25-D114 PolarHBondContact N-OD2 3.19Å; S25-D114 PolarHBondContact OG-OD1 3.28Å; S25-D114 PolarHBondContact OG-OD2 2.93Å; S25-D114 VanDerWaalsContact OG-OD2 3.12Å; H26-D114 VanDerWaalsContact C-OD1 3.3Å; H26-D114 WeakPolarHBondContact CA-OD1 3.16Å; H26-D114 PolarHBondContact N-OD1 3.23Å; D114-F134 CarbonylContact O-C 3.58Å; D114-F134 WeakPolarHBondContact O-CA 3.21Å; D114-R135 PolarHBondContact N-O 2.84Å; D114-R135 PolarHBondContact O-N 3.33Å; D114-I137 HydrophobicContact CB-CD1 3.69Å
115F72.3Confident71.6Confident89 Ų8958.7 Ų58.739%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-74.2139.5176.2-64.5-79.8000112.1H26 M28 P70 F134H26-F115 HydrophobicContact CB-CD2 4.13Å; H26-F115 HydrophobicContact CB-CE2 4.45Å; M28-F115 HydrophobicContact SD-CE2 3.82Å; M28-F115 HydrophobicContact SD-CZ 3.91Å; P70-F115 HydrophobicContact CB-CE2 4.26Å; F115-F134 HydrophobicContact CD1-CD1 4.35Å; F115-F134 AromaticContact CD1-CE1 3.77Å; F115-F134 HydrophobicContact CD1-CE1 3.77Å; F115-F134 HydrophobicContact CD1-CZ 4.36Å; F115-F134 AromaticContact CE1-CE1 3.54Å; F115-F134 HydrophobicContact CE1-CE1 3.54Å; F115-F134 AromaticContact CE1-CZ 3.89Å; F115-F134 HydrophobicContact CE1-CZ 3.89Å; F115-F134 HydrophobicContact CZ-CE1 4.13Å
116M65.6Low70.3Confident51 Ų5159 Ų5925%0.25130%0.304SS..PPolyproline II helixtrans-85.8152.8168.8-63.2176.66600110.9E120 G133 R135M116-E120 HydrophobicContact CB-CB 4.45Å; M116-E120 HydrophobicContact CE-CB 3.86Å; M116-G133 PolarHBondContact N-O 3Å; M116-R135 HydrophobicContact CG-CB 4.03Å
117T61Low68.8Low41 Ų4162.1 Ų62.125%0.25233%0.331SS..PPolyproline II helixtrans-73.9159.3172.679.80000111.3E119 E120 A121T117-E119 WeakPolarHBondContact CB-OE2 3.29Å; T117-E119 PolarHBondContact O-N 3.36Å; T117-E119 PolarHBondContact OG1-N 3.16Å; T117-E119 PolarHBondContact OG1-OE2 2.8Å; T117-E120 PolarHBondContact N-OE2 3.39Å; T117-E120 PolarHBondContact O-N 3.34Å; T117-E120 PolarHBondContact OG1-N 2.95Å; T117-A121 WeakPolarHBondContact O-CB 3.5Å; T117-A121 PolarHBondContact O-N 3.07Å
118M56.5Low66.9Low150 Ų15066.9 Ų66.974%0.73935%0.353SS*.Hα-helixtrans-63-23.3176.8-68.7-65.7-76.800112.9K122M118-K122 WeakPolarHBondContact O-CG 3.48Å; M118-K122 PolarHBondContact O-N 3.18Å
119E57.3Low64.8Low143 Ų14375.7 Ų75.767%0.66839%0.391SS*.Hα-helixtrans-73.7-46.9172.9-56.5114.5170.300111.5T117 A121 K122 A123T117-E119 WeakPolarHBondContact CB-OE2 3.29Å; T117-E119 PolarHBondContact O-N 3.36Å; T117-E119 PolarHBondContact OG1-N 3.16Å; T117-E119 PolarHBondContact OG1-OE2 2.8Å; E119-A121 VanDerWaalsContact C-N 3.29Å; E119-A121 PolarHBondContact O-N 3.05Å; E119-K122 PolarHBondContact O-N 2.61Å; E119-A123 PolarHBondContact O-N 2.89Å
120E59.9Low62.5Low47 Ų4783.8 Ų83.822%0.2243%0.429CS..Hα-helixtrans-63.3-37.1175.6-65-175.3134.700111.7M116 T117 K122 A123 N124 R135M116-E120 HydrophobicContact CB-CB 4.45Å; M116-E120 HydrophobicContact CE-CB 3.86Å; T117-E120 PolarHBondContact N-OE2 3.39Å; T117-E120 PolarHBondContact O-N 3.34Å; T117-E120 PolarHBondContact OG1-N 2.95Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 2.65Å; E120-A123 PolarHBondContact O-N 3.43Å; E120-N124 PolarHBondContact O-N 3.38Å; E120-N124 PolarHBondContact O-ND2 3.13Å; E120-R135 IonicContact OE1-CZ 3.73Å; E120-R135 IonicContact OE1-NH2 2.85Å; E120-R135 PolarHBondContact OE1-NH2 3.42Å; E120-R135 IonicContact OE2-CZ 3.03Å; E120-R135 IonicContact OE2-NH2 2.72Å; E120-R135 PolarHBondContact OE2-NH2 3.28Å
121A57.8Low60.6Low34 Ų3487.4 Ų87.428%0.28145%0.446SS..Hα-helixtrans-64.8-35.3175.700000112.5T117 E119 F125T117-A121 WeakPolarHBondContact O-CB 3.5Å; T117-A121 PolarHBondContact O-N 3.07Å; E119-A121 VanDerWaalsContact C-N 3.29Å; E119-A121 PolarHBondContact O-N 3.05Å; A121-F125 PolarHBondContact O-N 2.92Å
122K58.8Low58.9Low162 Ų16296.6 Ų96.670%0.70448%0.48SS*.Hα-helixtrans-70.1-43.9171.3-76.4175.4178.9-177.80111.8M118 E119 E120 N124 F125M118-K122 WeakPolarHBondContact O-CG 3.48Å; M118-K122 PolarHBondContact O-N 3.18Å; E119-K122 PolarHBondContact O-N 2.61Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 2.65Å; K122-N124 PolarHBondContact O-N 2.72Å; K122-F125 VanDerWaalsContact O-CB 3.24Å; K122-F125 WeakPolarHBondContact O-CB 3.29Å; K122-F125 PolarHBondContact O-N 3Å
123A57.1Low57.6Low82 Ų8297.9 Ų97.968%0.67849%0.494SS*.Hα-helixtrans-64.9-25.818000000113.8E119 E120E119-A123 PolarHBondContact O-N 2.89Å; E120-A123 PolarHBondContact O-N 3.43Å
124N54.4Low56.9Low90 Ų90101 Ų10148%0.48151%0.507SS..THydrogen-bonded Turntrans-98.64.8177-69.3-83.1000113.8E120 K122 D126 A127E120-N124 PolarHBondContact O-N 3.38Å; E120-N124 PolarHBondContact O-ND2 3.13Å; K122-N124 PolarHBondContact O-N 2.72Å; N124-D126 VanDerWaalsContact C-N 3.3Å; N124-D126 PolarHBondContact O-N 3.1Å; N124-A127 WeakPolarHBondContact O-CB 3.37Å; N124-A127 PolarHBondContact O-N 3.35Å; N124-A127 VanDerWaalsContact O-N 3.11Å
125F51.4Low56.7Low167 Ų167103.3 Ų103.373%0.73252%0.516SS*.THydrogen-bonded Turntrans-63.9-31.8-170.2-160.9-94.3000113.7A121 K122 A127A121-F125 PolarHBondContact O-N 2.92Å; K122-F125 VanDerWaalsContact O-CB 3.24Å; K122-F125 WeakPolarHBondContact O-CB 3.29Å; K122-F125 PolarHBondContact O-N 3Å; F125-A127 VanDerWaalsContact C-N 3.25Å; F125-A127 PolarHBondContact O-N 2.69Å
126D49Very low57.1Low164 Ų164101.4 Ų101.488%0.87751%0.507SS*.THydrogen-bonded Turntrans-71.1-16.2177.9-68.6-32.1000113.9N124N124-D126 VanDerWaalsContact C-N 3.3Å; N124-D126 PolarHBondContact O-N 3.1Å
127A52Low57.8Low76 Ų7699.7 Ų99.763%0.62850%0.499SS*.THydrogen-bonded Turntrans-88.5-50-169.400000113.8N124 F125N124-A127 WeakPolarHBondContact O-CB 3.37Å; N124-A127 PolarHBondContact O-N 3.35Å; N124-A127 VanDerWaalsContact O-N 3.11Å; F125-A127 VanDerWaalsContact C-N 3.25Å; F125-A127 PolarHBondContact O-N 2.69Å
128E45Very low59Low101 Ų10197.8 Ų97.847%0.47249%0.487SS..  trans-145.3106-157.6-63.9-148125.100115.6H130 R170E128-H130 PolarHBondContact O-N 3.3Å; E128-R170 IonicContact OE1-CZ 3.78Å; E128-R170 IonicContact OE1-NE 2.72Å; E128-R170 IonicContact OE1-NH1 3.06Å; E128-R170 PolarHBondContact OE1-NH1 2.95Å; E128-R170 IonicContact OE1-NH2 3.16Å; E128-R170 IonicContact OE2-CZ 3.87Å; E128-R170 IonicContact OE2-NH1 3.77Å; E128-R170 PolarHBondContact OE2-NH1 3.43Å; E128-R170 IonicContact OE2-NH2 2.7Å; E128-R170 PolarHBondContact OE2-NH2 3.06Å
129K43.8Very low60.6Low185 Ų18590.7 Ų90.780%0.80445%0.452SS*.SBendtrans-71.6-10.7-175.5-80.1-173.9174.3179.90117.4
130H41.1Very low62.2Low170 Ų17083.9 Ų83.979%0.78742%0.421SS*.SBendtrans-126-4.7-159.7-84.589.4000118.9E128E128-H130 PolarHBondContact O-N 3.3Å
131E49.8Very low63.6Low77 Ų7784 Ų8436%0.3642%0.421SS..SBendtrans-130.385.1167.5-72.3-175.1116.900109.1G133 K136 R170E131-G133 PolarHBondContact O-N 3.13Å; E131-K136 VanDerWaalsContact CD-NZ 3.3Å; E131-K136 IonicContact OE1-NZ 2.72Å; E131-K136 PolarHBondContact OE1-NZ 2.91Å; E131-K136 VanDerWaalsContact OE1-NZ 3.16Å; E131-K136 IonicContact OE2-NZ 3Å; E131-K136 PolarHBondContact OE2-NZ 2.72Å; E131-R170 IonicContact OE2-CZ 2.68Å; E131-R170 IonicContact OE2-NE 3.18Å; E131-R170 IonicContact OE2-NH2 3.82Å; E131-R170 PolarHBondContact OE2-NH2 2.92Å
132R53Low65Low194 Ų19483 Ų8373%0.73241%0.41SS*.  trans-77.8116.9-174.1-65.6-179.7178.6-177.2-2.3111.4
133G60.4Low66.2Low28 Ų2878.1 Ų78.129%0.28939%0.389SS..SBendtrans87.88.2157.100000118.3M116 E131M116-G133 PolarHBondContact N-O 3Å; E131-G133 PolarHBondContact O-N 3.13Å
134F69.4Low67.2Low71 Ų7174.3 Ų74.331%0.31136%0.358SS..EExtended strand (participates in β ladder)trans-113.7129.9179-68.2-75.6000113.3L113 D114 F115L113-F134 HydrophobicContact CB-CD1 4.4Å; L113-F134 HydrophobicContact CD1-CB 4.36Å; L113-F134 HydrophobicContact CD1-CD1 4.31Å; L113-F134 HydrophobicContact CD1-CG 4.31Å; L113-F134 HydrophobicContact CD2-CB 4.42Å; D114-F134 CarbonylContact O-C 3.58Å; D114-F134 WeakPolarHBondContact O-CA 3.21Å; F115-F134 HydrophobicContact CD1-CD1 4.35Å; F115-F134 AromaticContact CD1-CE1 3.77Å; F115-F134 HydrophobicContact CD1-CE1 3.77Å; F115-F134 HydrophobicContact CD1-CZ 4.36Å; F115-F134 AromaticContact CE1-CE1 3.54Å; F115-F134 HydrophobicContact CE1-CE1 3.54Å; F115-F134 AromaticContact CE1-CZ 3.89Å; F115-F134 HydrophobicContact CE1-CZ 3.89Å; F115-F134 HydrophobicContact CZ-CE1 4.13Å
135R74.3Confident68.3Low48 Ų4872.5 Ų72.518%0.18135%0.347CS..EExtended strand (participates in β ladder)trans-88.7126.7172.1-179.9-173.3-61.6-104.8-8.6109.8L23 L113 D114 M116 E120L23-R135 VanDerWaalsContact CB-CZ 3.48Å; L113-R135 CarbonylContact C-O 3.3Å; L113-R135 VanDerWaalsContact CA-O 3.31Å; L113-R135 WeakPolarHBondContact CA-O 3.33Å; D114-R135 PolarHBondContact N-O 2.84Å; D114-R135 PolarHBondContact O-N 3.33Å; M116-R135 HydrophobicContact CG-CB 4.03Å; E120-R135 IonicContact OE1-CZ 3.73Å; E120-R135 IonicContact OE1-NH2 2.85Å; E120-R135 PolarHBondContact OE1-NH2 3.42Å; E120-R135 IonicContact OE2-CZ 3.03Å; E120-R135 IonicContact OE2-NH2 2.72Å; E120-R135 PolarHBondContact OE2-NH2 3.28Å
136K81.6Confident69Low48 Ų4865.3 Ų65.321%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-86.5116.8173.8-68.7168.7177.6163.50109.7E111 L113 E131 W139 P164 E176E111-K136 WeakPolarHBondContact OE1-CD 3.33Å; E111-K136 WeakPolarHBondContact OE1-CE 3.33Å; E111-K136 WeakPolarHBondContact OE1-CG 3.34Å; L113-K136 HydrophobicContact CD2-CB 4.43Å; L113-K136 HydrophobicContact CD2-CG 3.65Å; E131-K136 VanDerWaalsContact CD-NZ 3.3Å; E131-K136 IonicContact OE1-NZ 2.72Å; E131-K136 PolarHBondContact OE1-NZ 2.91Å; E131-K136 VanDerWaalsContact OE1-NZ 3.16Å; E131-K136 IonicContact OE2-NZ 3Å; E131-K136 PolarHBondContact OE2-NZ 2.72Å; K136-W139 HydrophobicContact CD-CZ2 4.2Å; K136-P164 HydrophobicContact CB-CG 4.46Å; K136-E176 IonicContact NZ-OE2 3.35Å; K136-E176 PolarHBondContact NZ-OE2 2.98Å
137I80.7Confident69.8Low16 Ų1663 Ų638%0.08232%0.323CS..EExtended strand (participates in β ladder)trans-93.7-52.6-175.4-64.7165.9000111.1I24 I112 D114 P164 Y189I24-I137 HydrophobicContact CD1-CD1 3.96Å; I24-I137 HydrophobicContact CD1-CG1 4.36Å; I24-I137 HydrophobicContact CD1-CG2 4.12Å; I24-I137 HydrophobicContact CG1-CD1 3.94Å; I24-I137 HydrophobicContact CG1-CG1 4.43Å; I24-I137 HydrophobicContact CG2-CD1 4.05Å; I112-I137 HydrophobicContact CB-CB 4.37Å; I112-I137 HydrophobicContact CG2-CB 4.13Å; I112-I137 HydrophobicContact CG2-CD1 4.16Å; I112-I137 HydrophobicContact CG2-CG2 4.48Å; I112-I137 PolarHBondContact O-N 2.62Å; D114-I137 HydrophobicContact CB-CD1 3.69Å; I137-P164 WeakPolarHBondContact O-CD 3.21Å; I137-Y189 HydrophobicContact CG2-CE2 4.27Å; I137-Y189 WeakPolarHBondContact O-CE2 3.33Å
138A86.3Confident70.5Confident0 Ų062.3 Ų62.30%031%0.309CS..EExtended strand (participates in β ladder)trans-158.9155.9-175.200000111.5I112 L161 F162 Y189I112-A138 HydrophobicContact CD1-CB 4.46Å; I112-A138 PolarHBondContact N-O 3.01Å; A138-L161 HydrophobicContact CB-CB 4.21Å; A138-L161 HydrophobicContact CB-CD2 3.95Å; A138-L161 HydrophobicContact CB-CG 4.48Å; A138-F162 WeakPolarHBondContact CA-O 3.28Å; A138-Y189 HydrophobicContact CB-CD2 3.83Å; A138-Y189 HydrophobicContact CB-CE2 4Å; A138-Y189 HydrophobicContact CB-CG 4.21Å
139W90.2Very high71.3Confident1 Ų159.5 Ų59.50%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-122.9147176.6-64.8-28.9000111.6F110 E111 K136 L161 F162 P164 P165 E176 V177 W180F110-W139 CarbonylContact O-C 3.56Å; F110-W139 WeakPolarHBondContact O-CA 3.35Å; E111-W139 PolarHBondContact OE1-NE1 3.17Å; K136-W139 HydrophobicContact CD-CZ2 4.2Å; W139-L161 CarbonylContact O-C 3.25Å; W139-F162 PolarHBondContact N-O 2.93Å; W139-F162 PolarHBondContact O-N 3.26Å; W139-P164 HydrophobicContact CD2-CB 4.1Å; W139-P164 HydrophobicContact CE3-CB 4.07Å; W139-P164 HydrophobicContact CH2-CB 3.95Å; W139-P164 HydrophobicContact CZ2-CB 3.96Å; W139-P164 HydrophobicContact CZ3-CB 4Å; W139-P165 HydrophobicContact CH2-CG 4.49Å; W139-P165 HydrophobicContact CZ3-CG 4.18Å; W139-E176 HydrophobicContact CH2-CG 3.9Å; W139-E176 WeakPolarHBondContact CH2-OE1 3.4Å; W139-E176 HydrophobicContact CZ2-CG 4.19Å; W139-V177 HydrophobicContact CB-CG1 4.19Å; W139-V177 HydrophobicContact CD2-CG1 4.1Å; W139-V177 HydrophobicContact CD2-CG2 4.4Å; W139-V177 HydrophobicContact CE3-CG1 4.44Å; W139-V177 HydrophobicContact CG-CG1 4.02Å; W139-V177 HydrophobicContact CZ2-CG2 4.36Å; W139-W180 HydrophobicContact CB-CE3 4.45Å; W139-W180 HydrophobicContact CB-CZ3 4.28Å; W139-W180 HydrophobicContact CE3-CB 3.9Å; W139-W180 AromaticContact CE3-CD1 3.85Å; W139-W180 AromaticContact CE3-CD2 3.56Å; W139-W180 HydrophobicContact CE3-CD2 3.56Å; W139-W180 AromaticContact CE3-CE3 3.98Å; W139-W180 HydrophobicContact CE3-CE3 3.98Å; W139-W180 AromaticContact CE3-CG 3.47Å; W139-W180 HydrophobicContact CE3-CG 3.47Å; W139-W180 VanDerWaalsContact CE3-CG 3.47Å; W139-W180 HydrophobicContact CH2-CB 4.31Å; W139-W180 HydrophobicContact CZ3-CB 3.42Å; W139-W180 VanDerWaalsContact CZ3-CB 3.42Å; W139-W180 AromaticContact CZ3-CD1 3.68Å; W139-W180 HydrophobicContact CZ3-CD2 4.02Å; W139-W180 AromaticContact CZ3-CG 3.38Å; W139-W180 HydrophobicContact CZ3-CG 3.38Å
140A89.8Confident72.7Confident0 Ų055.6 Ų55.60%029%0.294CS..EExtended strand (participates in β ladder)trans-137.7165167.600000110.7F110 L159 L161F110-A140 HydrophobicContact CB-CB 4.32Å; F110-A140 PolarHBondContact N-O 3.05Å; F110-A140 PolarHBondContact O-N 3.07Å; A140-L159 HydrophobicContact CB-CB 4.16Å; A140-L161 HydrophobicContact CB-CD2 3.85Å
141F90.5Very high74.3Confident51 Ų5150.8 Ų50.822%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-140.2154.8176.269.7-86.6000111.1I107 L108 F109 F162 W180 W181I107-F141 HydrophobicContact CG2-CB 4.48Å; L108-F141 CarbonylContact O-C 3.58Å; L108-F141 VanDerWaalsContact O-CA 3.31Å; L108-F141 WeakPolarHBondContact O-CA 3.46Å; F109-F141 HydrophobicContact CD1-CB 3.53Å; F109-F141 HydrophobicContact CE1-CB 3.57Å; F109-F141 HydrophobicContact CE1-CG 4.43Å; F141-F162 HydrophobicContact CD1-CE2 4.4Å; F141-F162 AromaticContact CE1-CE2 3.99Å; F141-F162 HydrophobicContact CE1-CE2 3.99Å; F141-F162 HydrophobicContact CE1-CZ 4.46Å; F141-W180 AromaticContact CD1-CH2 3.99Å; F141-W180 HydrophobicContact CD1-CH2 3.99Å; F141-W180 HydrophobicContact CD1-CZ3 4.02Å; F141-W180 HydrophobicContact CE1-CH2 4.37Å; F141-W181 AromaticContact CD1-CD1 3.63Å; F141-W181 AromaticContact CD2-CD1 3.78Å; F141-W181 AromaticContact CD2-NE1 3.4Å; F141-W181 AromaticContact CE1-CD1 3.84Å; F141-W181 AromaticContact CE2-CD1 3.99Å; F141-W181 AromaticContact CE2-NE1 3.39Å; F141-W181 AromaticContact CG-CD1 3.6Å; F141-W181 AromaticContact CG-NE1 3.75Å; F141-W181 AromaticContact CZ-NE1 3.72Å
142L87Confident75.8Confident11 Ų1149.2 Ų49.26%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-140.9123.5175.4172.859.1000109L108 F110 N152 L157 L159 V197L108-L142 HydrophobicContact CB-CB 4.39Å; L108-L142 PolarHBondContact N-O 2.89Å; L108-L142 PolarHBondContact O-N 3.33Å; F110-L142 HydrophobicContact CE2-CB 3.98Å; L142-N152 HydrophobicContact CD1-CB 3.86Å; L142-L157 HydrophobicContact CD1-CD1 3.78Å; L142-L157 HydrophobicContact CD2-CD1 3.56Å; L142-L157 HydrophobicContact CG-CD1 4.34Å; L142-L159 HydrophobicContact CB-CD1 4.27Å; L142-L159 HydrophobicContact CB-CD2 4.11Å; L142-L159 HydrophobicContact CD1-CD2 4.12Å; L142-L159 HydrophobicContact CG-CD2 4.5Å; L142-V197 HydrophobicContact CD2-CG2 3.8Å
143K83.6Confident77Confident60 Ų6040.9 Ų40.926%0.26124%0.238SC..EExtended strand (participates in β ladder)trans-84.1130.9163-63.4-158.4170-157.40109.2E36 I107 I145 N152E36-K143 IonicContact OE1-NZ 3.74Å; E36-K143 PolarHBondContact OE1-NZ 3.45Å; E36-K143 IonicContact OE2-NZ 3.48Å; E36-K143 PolarHBondContact OE2-NZ 3.46Å; I107-K143 HydrophobicContact CD1-CG 4.28Å; I107-K143 HydrophobicContact CG1-CG 4.19Å; K143-I145 VanDerWaalsContact C-N 3.31Å; K143-I145 WeakPolarHBondContact CB-O 3.42Å; K143-N152 PolarHBondContact O-ND2 2.95Å
144L77.6Confident77.7Confident3 Ų346.9 Ų46.92%0.01626%0.259CS..SBendtrans-67.8-34.5176.7-63-177.3000112V96 V97 V106 L108 L151 N152 V197V96-L144 HydrophobicContact CG1-CD1 3.46Å; V96-L144 VanDerWaalsContact CG1-CD1 3.46Å; V97-L144 HydrophobicContact CG2-CD1 4.48Å; V106-L144 HydrophobicContact CB-CD1 4.11Å; V106-L144 HydrophobicContact CG1-CD1 4.04Å; L108-L144 HydrophobicContact CD1-CD2 3.86Å; L108-L144 HydrophobicContact CG-CD2 4.22Å; L144-L151 WeakPolarHBondContact O-CA 3.45Å; L144-N152 PolarHBondContact O-N 2.63Å; L144-V197 HydrophobicContact CD2-CB 4.41Å; L144-V197 HydrophobicContact CD2-CG1 3.98Å; L144-V197 HydrophobicContact CD2-CG2 4.22Å
145I77.4Confident78.2Confident52 Ų5246.2 Ų46.227%0.26726%0.263SS..BIsolated β-bridgetrans-105120.4168.7-60.7153.7000107.7Q99 K143 L151Q99-I145 HydrophobicContact CG-CD1 3.8Å; K143-I145 VanDerWaalsContact C-N 3.31Å; K143-I145 WeakPolarHBondContact CB-O 3.42Å; I145-L151 HydrophobicContact CG1-CD2 3.7Å
146G66.4Low78.8Confident15 Ų1549.4 Ų49.416%0.15528%0.278CS..  trans-68.1165.5174.700000112.7N148 G149 I150G146-N148 WeakPolarHBondContact CA-OD1 3.3Å; G146-N148 PolarHBondContact O-N 2.83Å; G146-N148 VanDerWaalsContact O-N 3.16Å; G146-G149 PolarHBondContact O-N 3.35Å; G146-I150 PolarHBondContact N-O 2.99Å
147A65.1Low79Confident115 Ų11548.5 Ų48.595%0.9528%0.275SS*.THydrogen-bonded Turntrans-63.5-18.8175.900000113.1
148N66.7Low79.4Confident62 Ų6255.3 Ų55.333%0.33230%0.3SS..THydrogen-bonded Turntrans-87.75.6172.363.3-26.2000114G146 I150 S769G146-N148 WeakPolarHBondContact CA-OD1 3.3Å; G146-N148 PolarHBondContact O-N 2.83Å; G146-N148 VanDerWaalsContact O-N 3.16Å; N148-I150 WeakPolarHBondContact ND2-CB 3.33Å; N148-I150 VanDerWaalsContact ND2-CD1 3.29Å; N148-I150 WeakPolarHBondContact ND2-CD1 3.46Å; N148-I150 VanDerWaalsContact ND2-CG1 3.29Å; N148-I150 WeakPolarHBondContact ND2-CG1 3.26Å; N148-I150 PolarHBondContact O-N 3.15Å; N148-I150 PolarHBondContact OD1-N 3.23Å; N148-S769 WeakPolarHBondContact CB-O 3.05Å; N148-S769 WeakPolarHBondContact ND2-CA 3.4Å; N148-S769 WeakPolarHBondContact ND2-CB 3.44Å
149G62.7Low79.5Confident43 Ų4356.1 Ų56.144%0.44330%0.304SS..SBendtrans77-7.2-177.600000115.9G146G146-G149 PolarHBondContact O-N 3.35Å
150I74.2Confident79.5Confident102 Ų10259.3 Ų59.352%0.52332%0.319SS..  trans-73.4140.4-179.7-61.3-173.5000110.9G146 N148G146-I150 PolarHBondContact N-O 2.99Å; N148-I150 WeakPolarHBondContact ND2-CB 3.33Å; N148-I150 VanDerWaalsContact ND2-CD1 3.29Å; N148-I150 WeakPolarHBondContact ND2-CD1 3.46Å; N148-I150 VanDerWaalsContact ND2-CG1 3.29Å; N148-I150 WeakPolarHBondContact ND2-CG1 3.26Å; N148-I150 PolarHBondContact O-N 3.15Å; N148-I150 PolarHBondContact OD1-N 3.23Å
151L74.6Confident79.4Confident70 Ų7059.3 Ų59.337%0.36632%0.319SS..BIsolated β-bridgetrans-79.3116.6176.3-66.4177.2000111.2F2 V97 L144 I145 I153F2-L151 HydrophobicContact CZ-CD1 4.24Å; V97-L151 HydrophobicContact CG1-CD1 4.28Å; V97-L151 HydrophobicContact CG1-CD2 3.76Å; L144-L151 WeakPolarHBondContact O-CA 3.45Å; I145-L151 HydrophobicContact CG1-CD2 3.7Å; L151-I153 HydrophobicContact CB-CB 4.5Å; L151-I153 HydrophobicContact CB-CD1 3.99Å; L151-I153 HydrophobicContact CB-CG1 4.02Å; L151-I153 HydrophobicContact CD1-CD1 4.45Å; L151-I153 HydrophobicContact CD2-CD1 4.14Å; L151-I153 HydrophobicContact CG-CD1 4.43Å; L151-I153 PolarHBondContact O-N 2.92Å
152N80.4Confident79.3Confident43 Ų4358 Ų5823%0.2331%0.313CS..  trans-82.565.7176.6-64.7-53.1000110.7L142 K143 L144 L157L142-N152 HydrophobicContact CD1-CB 3.86Å; K143-N152 PolarHBondContact O-ND2 2.95Å; L144-N152 PolarHBondContact O-N 2.63Å; N152-L157 HydrophobicContact CB-CD1 3.96Å; N152-L157 HydrophobicContact CB-CD2 4.46Å
153I77.5Confident79Confident20 Ų2058.9 Ų58.910%0.10332%0.32CS..  trans-135.5156.8-168.2-51-175.3000108.9F93 V97 L151 S155 V197F93-I153 HydrophobicContact CE2-CG2 4.39Å; F93-I153 HydrophobicContact CZ-CD1 3.92Å; F93-I153 HydrophobicContact CZ-CG2 3.66Å; V97-I153 HydrophobicContact CG1-CD1 3.89Å; V97-I153 HydrophobicContact CG2-CD1 3.95Å; L151-I153 HydrophobicContact CB-CB 4.5Å; L151-I153 HydrophobicContact CB-CD1 3.99Å; L151-I153 HydrophobicContact CB-CG1 4.02Å; L151-I153 HydrophobicContact CD1-CD1 4.45Å; L151-I153 HydrophobicContact CD2-CD1 4.14Å; L151-I153 HydrophobicContact CG-CD1 4.43Å; L151-I153 PolarHBondContact O-N 2.92Å; I153-S155 PolarHBondContact O-N 3.22Å; I153-S155 PolarHBondContact O-OG 3.34Å; I153-V197 WeakPolarHBondContact CG2-O 3.23Å
154E74.8Confident78.9Confident154 Ų15457.7 Ų57.772%0.7232%0.319SS*.SBendtrans64.4-25.8177.2-48.1-160.614400116.1V197E154-V197 PolarHBondContact N-O 3.3Å
155S81.7Confident78.7Confident57 Ų5759 Ų5940%0.39933%0.327SS..SBendtrans-78.8163.8175.156.70000113.5I153 L157 T196I153-S155 PolarHBondContact O-N 3.22Å; I153-S155 PolarHBondContact O-OG 3.34Å; S155-L157 WeakPolarHBondContact OG-CD2 3.43Å; S155-T196 WeakPolarHBondContact O-CB 3.24Å; S155-T196 WeakPolarHBondContact O-CG2 3.49Å; S155-T196 PolarHBondContact O-OG1 3.18Å; S155-T196 VanDerWaalsContact O-OG1 3.08Å
156K86Confident77.7Confident115 Ų11562.5 Ų62.550%0.535%0.353SS..  trans-92.5100172.4-175.6167-180159.90109.8H13 T196H13-K156 WeakPolarHBondContact ND1-CE 3.48Å; H13-K156 PolarHBondContact ND1-NZ 3.06Å; K156-T196 WeakPolarHBondContact CA-OG1 3.12Å
157L86.4Confident77.2Confident28 Ų2873.2 Ų73.215%0.14739%0.389CS..EExtended strand (participates in β ladder)trans-84.8139.8-175.1-57.9170.1000110.9L142 N152 S155 L159 Y194 V195L142-L157 HydrophobicContact CD1-CD1 3.78Å; L142-L157 HydrophobicContact CD2-CD1 3.56Å; L142-L157 HydrophobicContact CG-CD1 4.34Å; N152-L157 HydrophobicContact CB-CD1 3.96Å; N152-L157 HydrophobicContact CB-CD2 4.46Å; S155-L157 WeakPolarHBondContact OG-CD2 3.43Å; L157-L159 HydrophobicContact CB-CD2 4.29Å; L157-Y194 WeakPolarHBondContact O-CA 3.47Å; L157-V195 PolarHBondContact N-O 3.24Å; L157-V195 PolarHBondContact O-N 3.43Å
158R88.8Confident76.6Confident159 Ų15969 Ų6960%0.635%0.354SS*.EExtended strand (participates in β ladder)trans-104.2100.8174-172.9-178.7-171.2-156.7-0.4109.4D16 T192 Y194D16-R158 IonicContact OD1-NH2 2.7Å; D16-R158 IonicContact OD2-CZ 3.13Å; D16-R158 IonicContact OD2-NE 2.85Å; D16-R158 IonicContact OD2-NH2 3.69Å; D16-R158 PolarHBondContact OD2-NH2 2.68Å; R158-T192 HydrophobicContact CG-CG2 4.05Å; R158-T192 WeakPolarHBondContact CG-OG1 3.37Å; R158-T192 PolarHBondContact NE-OG1 2.83Å; R158-Y194 HydrophobicContact CB-CD1 4.2Å; R158-Y194 HydrophobicContact CB-CE1 4.06Å; R158-Y194 HydrophobicContact CG-CD1 4.19Å; R158-Y194 HydrophobicContact CG-CE1 3.7Å; R158-Y194 PolarHBondContact NE-OH 3.26Å
159L87.7Confident75.7Confident17 Ų1775 Ų759%0.08938%0.377CS..EExtended strand (participates in β ladder)trans-87.6125.6-177.8-53.2-177.8000110.7F110 A140 L142 L157 L161 T192 L193 V195F110-L159 HydrophobicContact CD2-CD1 3.61Å; F110-L159 HydrophobicContact CE2-CD1 3.54Å; F110-L159 HydrophobicContact CG-CD1 4.4Å; F110-L159 HydrophobicContact CZ-CD1 4.27Å; A140-L159 HydrophobicContact CB-CB 4.16Å; L142-L159 HydrophobicContact CB-CD1 4.27Å; L142-L159 HydrophobicContact CB-CD2 4.11Å; L142-L159 HydrophobicContact CD1-CD2 4.12Å; L142-L159 HydrophobicContact CG-CD2 4.5Å; L157-L159 HydrophobicContact CB-CD2 4.29Å; L159-L161 PolarHBondContact O-N 2.95Å; L159-T192 CarbonylContact O-C 3.56Å; L159-T192 VanDerWaalsContact O-CA 3.24Å; L159-T192 WeakPolarHBondContact O-CA 3.5Å; L159-T192 VanDerWaalsContact O-CB 3.23Å; L159-T192 WeakPolarHBondContact O-CB 3.33Å; L159-L193 HydrophobicContact CB-CB 4.45Å; L159-L193 WeakPolarHBondContact CB-O 3.45Å; L159-L193 PolarHBondContact N-O 3.46Å; L159-L193 PolarHBondContact O-N 3.21Å; L159-V195 HydrophobicContact CD1-CB 4.22Å; L159-V195 HydrophobicContact CD1-CG2 3.75Å; L159-V195 HydrophobicContact CG-CG2 4.43Å
160Q89.5Confident75.2Confident69 Ų6978 Ų7832%0.32238%0.375SS..EExtended strand (participates in β ladder)trans-66.2127.9171.417860.270.800110F162 Y189 S191Q160-F162 HydrophobicContact CB-CE2 4.1Å; Q160-F162 HydrophobicContact CB-CZ 4.18Å; Q160-F162 HydrophobicContact CG-CE1 4.16Å; Q160-F162 HydrophobicContact CG-CE2 3.93Å; Q160-F162 HydrophobicContact CG-CZ 3.7Å; Q160-F162 WeakPolarHBondContact O-CD2 3.2Å; Q160-F162 WeakPolarHBondContact O-CE2 3.47Å; Q160-Y189 PolarHBondContact NE2-O 3.5Å; Q160-S191 PolarHBondContact NE2-O 2.86Å
161L89.4Confident74.2Confident0 Ų078.6 Ų78.60%038%0.376CS..EExtended strand (participates in β ladder)trans-84.9153.8172.1-71.8162.3000111T15 L18 I112 A138 W139 A140 L159 Y189 S191 L193T15-L161 HydrophobicContact CG2-CD1 3.99Å; L18-L161 HydrophobicContact CD2-CD1 4.24Å; I112-L161 HydrophobicContact CD1-CD1 3.8Å; I112-L161 HydrophobicContact CD1-CD2 3.61Å; I112-L161 HydrophobicContact CD1-CG 4.39Å; I112-L161 HydrophobicContact CG1-CD2 4.18Å; A138-L161 HydrophobicContact CB-CB 4.21Å; A138-L161 HydrophobicContact CB-CD2 3.95Å; A138-L161 HydrophobicContact CB-CG 4.48Å; W139-L161 CarbonylContact O-C 3.25Å; A140-L161 HydrophobicContact CB-CD2 3.85Å; L159-L161 PolarHBondContact O-N 2.95Å; L161-Y189 HydrophobicContact CB-CG 4.4Å; L161-Y189 WeakPolarHBondContact O-CB 3.5Å; L161-Y189 PolarHBondContact O-N 3.49Å; L161-S191 WeakPolarHBondContact CB-O 3.48Å; L161-S191 PolarHBondContact N-O 2.9Å; L161-L193 HydrophobicContact CD1-CB 4.3Å; L161-L193 HydrophobicContact CD2-CB 4.24Å; L161-L193 HydrophobicContact CG-CB 4.22Å
162F87.4Confident72.8Confident22 Ų2281.1 Ų81.110%0.09640%0.399CS..EExtended strand (participates in β ladder)trans-133.8151.7-179.4-61.2-89.4000110.5A138 W139 F141 Q160 W180 R186 T187 K188A138-F162 WeakPolarHBondContact CA-O 3.28Å; W139-F162 PolarHBondContact N-O 2.93Å; W139-F162 PolarHBondContact O-N 3.26Å; F141-F162 HydrophobicContact CD1-CE2 4.4Å; F141-F162 AromaticContact CE1-CE2 3.99Å; F141-F162 HydrophobicContact CE1-CE2 3.99Å; F141-F162 HydrophobicContact CE1-CZ 4.46Å; Q160-F162 HydrophobicContact CB-CE2 4.1Å; Q160-F162 HydrophobicContact CB-CZ 4.18Å; Q160-F162 HydrophobicContact CG-CE1 4.16Å; Q160-F162 HydrophobicContact CG-CE2 3.93Å; Q160-F162 HydrophobicContact CG-CZ 3.7Å; Q160-F162 WeakPolarHBondContact O-CD2 3.2Å; Q160-F162 WeakPolarHBondContact O-CE2 3.47Å; F162-W180 HydrophobicContact CB-CH2 3.85Å; F162-W180 HydrophobicContact CB-CZ2 3.41Å; F162-W180 VanDerWaalsContact CB-CZ2 3.41Å; F162-W180 HydrophobicContact CD1-CZ2 4.28Å; F162-W180 AromaticContact CD2-CH2 3.65Å; F162-W180 HydrophobicContact CD2-CH2 3.65Å; F162-W180 AromaticContact CD2-CZ2 3.98Å; F162-W180 HydrophobicContact CD2-CZ2 3.98Å; F162-W180 HydrophobicContact CE2-CH2 4.39Å; F162-W180 AromaticContact CG-CH2 3.83Å; F162-W180 HydrophobicContact CG-CH2 3.83Å; F162-W180 AromaticContact CG-CZ2 3.64Å; F162-W180 HydrophobicContact CG-CZ2 3.64Å; F162-R186 HydrophobicContact CD1-CB 3.82Å; F162-R186 HydrophobicContact CE1-CB 3.79Å; F162-T187 VanDerWaalsContact CA-O 3.28Å; F162-T187 WeakPolarHBondContact CA-O 3.4Å; F162-T187 WeakPolarHBondContact CB-O 3.38Å; F162-K188 HydrophobicContact CD1-CG 4.46Å; F162-K188 HydrophobicContact CE1-CG 4.09Å
163C81.6Confident71.5Confident31 Ų3188.2 Ų88.221%0.20943%0.428CS..PPolyproline II helixtrans-76.9137.9176.9-590000110.4T187C163-T187 PolarHBondContact N-O 3.47Å
164P80.9Confident70.7Confident35 Ų3590.1 Ų90.123%0.22744%0.441CS..PPolyproline II helixtrans-65.3145.216828.6-33.9000110.5K136 I137 W139K136-P164 HydrophobicContact CB-CG 4.46Å; I137-P164 WeakPolarHBondContact O-CD 3.21Å; W139-P164 HydrophobicContact CD2-CB 4.1Å; W139-P164 HydrophobicContact CE3-CB 4.07Å; W139-P164 HydrophobicContact CH2-CB 3.95Å; W139-P164 HydrophobicContact CZ2-CB 3.96Å; W139-P164 HydrophobicContact CZ3-CB 4Å
165P72.9Confident70.5Confident29 Ų2983.6 Ų83.619%0.18841%0.411CS..PPolyproline II helixtrans-74.8136.3-179.931-33000110.5W139 R167 A168 Y184W139-P165 HydrophobicContact CH2-CG 4.49Å; W139-P165 HydrophobicContact CZ3-CG 4.18Å; P165-R167 PolarHBondContact O-N 3.42Å; P165-R167 VanDerWaalsContact O-N 3.09Å; P165-A168 HydrophobicContact CG-CB 4.45Å; P165-Y184 HydrophobicContact CB-CD1 4.09Å; P165-Y184 HydrophobicContact CB-CE1 4.38Å; P165-Y184 HydrophobicContact CG-CD1 4.23Å; P165-Y184 HydrophobicContact CG-CE1 4.41Å
166P56.4Low70.2Confident126 Ų12683.3 Ų83.382%0.81840%0.403SS*.THydrogen-bonded Turntrans-67.3112.917727.1-33.3000110.5
167R56.9Low69.8Low241 Ų24178 Ų7891%0.90938%0.38SS*.THydrogen-bonded Turntrans68.262.8175.5-52.5173.1176.3166.4-3.1115.2P165 K169P165-R167 PolarHBondContact O-N 3.42Å; P165-R167 VanDerWaalsContact O-N 3.09Å; R167-K169 PolarHBondContact O-N 3.22Å
168A52.3Low69.6Low26 Ų2677.2 Ų77.222%0.21538%0.376CS..  trans-60.5127.1160.300000110.4P165 R170P165-A168 HydrophobicContact CG-CB 4.45Å; A168-R170 PolarHBondContact O-N 3.37Å; A168-R170 VanDerWaalsContact O-N 3.12Å
169K47.9Very low69.1Low187 Ų18770.7 Ų70.781%0.81335%0.352SS*.  trans-72.3104.6175.1-76.5-174.3176.5-177.90109.8R167 Q171R167-K169 PolarHBondContact O-N 3.22Å; K169-Q171 PolarHBondContact O-N 2.71Å
170R52.8Low68.8Low106 Ų10670 Ų7040%0.435%0.348SS..  trans-53.5124.6179.8-75.3-173.4171.4142.10.4112.5E128 E131 A168E128-R170 IonicContact OE1-CZ 3.78Å; E128-R170 IonicContact OE1-NE 2.72Å; E128-R170 IonicContact OE1-NH1 3.06Å; E128-R170 PolarHBondContact OE1-NH1 2.95Å; E128-R170 IonicContact OE1-NH2 3.16Å; E128-R170 IonicContact OE2-CZ 3.87Å; E128-R170 IonicContact OE2-NH1 3.77Å; E128-R170 PolarHBondContact OE2-NH1 3.43Å; E128-R170 IonicContact OE2-NH2 2.7Å; E128-R170 PolarHBondContact OE2-NH2 3.06Å; E131-R170 IonicContact OE2-CZ 2.68Å; E131-R170 IonicContact OE2-NE 3.18Å; E131-R170 IonicContact OE2-NH2 3.82Å; E131-R170 PolarHBondContact OE2-NH2 2.92Å; A168-R170 PolarHBondContact O-N 3.37Å; A168-R170 VanDerWaalsContact O-N 3.12Å
171Q52.3Low68.5Low115 Ų11568.1 Ų68.154%0.53734%0.338SS..  trans-99.4129.6160.1-57.8-168.4-2.200108.1K169 K173 T174K169-Q171 PolarHBondContact O-N 2.71Å; Q171-K173 PolarHBondContact O-N 3.01Å; Q171-T174 PolarHBondContact O-N 2.97Å; Q171-T174 PolarHBondContact O-OG1 2.88Å
172S45.2Very low68.1Low123 Ų12376.1 Ų76.186%0.8637%0.368SS*.THydrogen-bonded Turntrans-7311.6-162.252.80000116.4
173K53Low67.5Low192 Ų19279.8 Ų79.884%0.83538%0.384SS*.THydrogen-bonded Turntrans-143.714.1-176.8-63.1-170.8178.5-178.70114.7Q171Q171-K173 PolarHBondContact O-N 3.01Å
174T60.8Low67.2Low61 Ų6181.9 Ų81.937%0.37439%0.388SS..SBendtrans-124.5145-175.349.60000112.4Q171 E176Q171-T174 PolarHBondContact O-N 2.97Å; Q171-T174 PolarHBondContact O-OG1 2.88Å; T174-E176 PolarHBondContact O-N 2.86Å
175I71.3Confident66.8Low17 Ų1785.4 Ų85.49%0.08741%0.411CS..  trans-75.9118.9176.9-57.4174.1000109.2V34 Y41 V177 F178 E179V34-I175 HydrophobicContact CG1-CD1 4.21Å; V34-I175 HydrophobicContact CG2-CD1 3.66Å; Y41-I175 HydrophobicContact CD1-CD1 4Å; Y41-I175 HydrophobicContact CD2-CD1 3.71Å; Y41-I175 HydrophobicContact CD2-CG1 4.34Å; Y41-I175 HydrophobicContact CE1-CD1 3.92Å; Y41-I175 HydrophobicContact CE2-CD1 3.63Å; Y41-I175 HydrophobicContact CE2-CG1 3.9Å; Y41-I175 HydrophobicContact CG-CD1 3.89Å; I175-V177 VanDerWaalsContact C-N 3.35Å; I175-V177 PolarHBondContact O-N 2.83Å; I175-F178 HydrophobicContact CB-CB 4.15Å; I175-F178 HydrophobicContact CG2-CB 4.43Å; I175-F178 WeakPolarHBondContact O-CB 3.45Å; I175-F178 PolarHBondContact O-N 2.87Å; I175-E179 PolarHBondContact O-N 2.99Å
176E74.1Confident67.1Low51 Ų5190 Ų9024%0.23843%0.425CS..Hα-helixtrans-57.9-42.3-173.8-170-176.1165.100113.1K136 W139 T174 F178 E179 W180K136-E176 IonicContact NZ-OE2 3.35Å; K136-E176 PolarHBondContact NZ-OE2 2.98Å; W139-E176 HydrophobicContact CH2-CG 3.9Å; W139-E176 WeakPolarHBondContact CH2-OE1 3.4Å; W139-E176 HydrophobicContact CZ2-CG 4.19Å; T174-E176 PolarHBondContact O-N 2.86Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.09Å; E176-E179 WeakPolarHBondContact O-CB 3.31Å; E176-E179 PolarHBondContact O-N 2.82Å; E176-W180 WeakPolarHBondContact O-CB 3.35Å; E176-W180 PolarHBondContact O-N 2.89Å
177V78.1Confident68.3Low3 Ų387.8 Ų87.82%0.01841%0.409CS..Hα-helixtrans-67.5-28.5179.2-159.70000111.8F109 W139 I175 W180 W181F109-V177 HydrophobicContact CB-CB 4.35Å; F109-V177 HydrophobicContact CB-CG1 3.99Å; F109-V177 HydrophobicContact CD1-CB 4.29Å; F109-V177 HydrophobicContact CD1-CG1 3.59Å; F109-V177 HydrophobicContact CE1-CG1 4.34Å; F109-V177 HydrophobicContact CG-CB 4.31Å; F109-V177 HydrophobicContact CG-CG1 3.97Å; W139-V177 HydrophobicContact CB-CG1 4.19Å; W139-V177 HydrophobicContact CD2-CG1 4.1Å; W139-V177 HydrophobicContact CD2-CG2 4.4Å; W139-V177 HydrophobicContact CE3-CG1 4.44Å; W139-V177 HydrophobicContact CG-CG1 4.02Å; W139-V177 HydrophobicContact CZ2-CG2 4.36Å; I175-V177 VanDerWaalsContact C-N 3.35Å; I175-V177 PolarHBondContact O-N 2.83Å; V177-W180 HydrophobicContact CG1-CE3 3.89Å; V177-W180 HydrophobicContact CG1-CZ3 4.36Å; V177-W181 WeakPolarHBondContact O-CB 3.49Å; V177-W181 PolarHBondContact O-N 3.42Å
178F81.4Confident69.5Low11 Ų1184 Ų845%0.04840%0.399CS..Hα-helixtrans-75.7-40.7172.6-178.6-94.5000111.9V34 G39 F109 I175 E176 W180 W181 R182V34-F178 HydrophobicContact CG1-CB 4.4Å; V34-F178 HydrophobicContact CG1-CD2 3.85Å; V34-F178 HydrophobicContact CG1-CE2 4.49Å; V34-F178 HydrophobicContact CG1-CG 4.29Å; G39-F178 VanDerWaalsContact CA-CZ 3.4Å; F109-F178 HydrophobicContact CE2-CB 4.35Å; F109-F178 HydrophobicContact CE2-CD2 4.1Å; F109-F178 HydrophobicContact CZ-CB 4.5Å; F109-F178 HydrophobicContact CZ-CD2 4.12Å; I175-F178 HydrophobicContact CB-CB 4.15Å; I175-F178 HydrophobicContact CG2-CB 4.43Å; I175-F178 WeakPolarHBondContact O-CB 3.45Å; I175-F178 PolarHBondContact O-N 2.87Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.09Å; F178-W180 VanDerWaalsContact C-N 3.31Å; F178-W180 PolarHBondContact O-N 3.46Å; F178-W181 HydrophobicContact CD2-CE3 4.15Å; F178-W181 AromaticContact CE2-CE3 3.98Å; F178-W181 HydrophobicContact CE2-CE3 3.98Å; F178-W181 AromaticContact CE2-CZ3 3.96Å; F178-W181 HydrophobicContact CE2-CZ3 3.96Å; F178-W181 PolarHBondContact O-N 3.23Å; F178-R182 WeakPolarHBondContact O-CB 3.48Å; F178-R182 PolarHBondContact O-N 3.38Å
179E79.4Confident71Confident23 Ų2383.5 Ų83.511%0.10739%0.392CS..Hα-helixtrans-56.1-46.7171.5-70-106113.100111I175 E176 K183I175-E179 PolarHBondContact O-N 2.99Å; E176-E179 WeakPolarHBondContact O-CB 3.31Å; E176-E179 PolarHBondContact O-N 2.82Å; E179-K183 VanDerWaalsContact O-CB 3.29Å; E179-K183 WeakPolarHBondContact O-CB 3.17Å; E179-K183 PolarHBondContact O-N 3.35Å; E179-K183 WeakPolarHBondContact OE1-CE 3.42Å; E179-K183 IonicContact OE1-NZ 3.82Å; E179-K183 PolarHBondContact OE1-NZ 3.32Å; E179-K183 IonicContact OE2-NZ 3.69Å; E179-K183 PolarHBondContact OE2-NZ 3.42Å
180W82.2Confident72.4Confident3 Ų378.7 Ų78.71%0.01139%0.387CS..Hα-helixtrans-55-57.7173.6166.373.1000111.9W139 F141 F162 E176 V177 F178 R182 K183 Y184 R186W139-W180 HydrophobicContact CB-CE3 4.45Å; W139-W180 HydrophobicContact CB-CZ3 4.28Å; W139-W180 HydrophobicContact CE3-CB 3.9Å; W139-W180 AromaticContact CE3-CD1 3.85Å; W139-W180 AromaticContact CE3-CD2 3.56Å; W139-W180 HydrophobicContact CE3-CD2 3.56Å; W139-W180 AromaticContact CE3-CE3 3.98Å; W139-W180 HydrophobicContact CE3-CE3 3.98Å; W139-W180 AromaticContact CE3-CG 3.47Å; W139-W180 HydrophobicContact CE3-CG 3.47Å; W139-W180 VanDerWaalsContact CE3-CG 3.47Å; W139-W180 HydrophobicContact CH2-CB 4.31Å; W139-W180 HydrophobicContact CZ3-CB 3.42Å; W139-W180 VanDerWaalsContact CZ3-CB 3.42Å; W139-W180 AromaticContact CZ3-CD1 3.68Å; W139-W180 HydrophobicContact CZ3-CD2 4.02Å; W139-W180 AromaticContact CZ3-CG 3.38Å; W139-W180 HydrophobicContact CZ3-CG 3.38Å; F141-W180 AromaticContact CD1-CH2 3.99Å; F141-W180 HydrophobicContact CD1-CH2 3.99Å; F141-W180 HydrophobicContact CD1-CZ3 4.02Å; F141-W180 HydrophobicContact CE1-CH2 4.37Å; F162-W180 HydrophobicContact CB-CH2 3.85Å; F162-W180 HydrophobicContact CB-CZ2 3.41Å; F162-W180 VanDerWaalsContact CB-CZ2 3.41Å; F162-W180 HydrophobicContact CD1-CZ2 4.28Å; F162-W180 AromaticContact CD2-CH2 3.65Å; F162-W180 HydrophobicContact CD2-CH2 3.65Å; F162-W180 AromaticContact CD2-CZ2 3.98Å; F162-W180 HydrophobicContact CD2-CZ2 3.98Å; F162-W180 HydrophobicContact CE2-CH2 4.39Å; F162-W180 AromaticContact CG-CH2 3.83Å; F162-W180 HydrophobicContact CG-CH2 3.83Å; F162-W180 AromaticContact CG-CZ2 3.64Å; F162-W180 HydrophobicContact CG-CZ2 3.64Å; E176-W180 WeakPolarHBondContact O-CB 3.35Å; E176-W180 PolarHBondContact O-N 2.89Å; V177-W180 HydrophobicContact CG1-CE3 3.89Å; V177-W180 HydrophobicContact CG1-CZ3 4.36Å; F178-W180 VanDerWaalsContact C-N 3.31Å; F178-W180 PolarHBondContact O-N 3.46Å; W180-R182 PolarHBondContact O-N 3.08Å; W180-K183 PolarHBondContact O-N 3.05Å; W180-Y184 PolarHBondContact O-N 2.95Å; W180-R186 HydrophobicContact CZ2-CG 4.25Å
181W81.9Confident74Confident28 Ų2873.9 Ų73.911%0.10637%0.37CS..Hα-helixtrans-57.1-34.5-175.5176.382.3000113.5E36 I107 F109 F141 V177 F178 R186E36-W181 HydrophobicContact CG-CH2 4.22Å; E36-W181 WeakPolarHBondContact OE1-CH2 3.38Å; I107-W181 HydrophobicContact CD1-CH2 3.64Å; I107-W181 HydrophobicContact CD1-CZ2 3.73Å; I107-W181 HydrophobicContact CD1-CZ3 4.06Å; F109-W181 HydrophobicContact CE1-CB 3.62Å; F109-W181 AromaticContact CE1-CD1 3.92Å; F109-W181 HydrophobicContact CE1-CD2 4.41Å; F109-W181 AromaticContact CE1-CG 3.71Å; F109-W181 HydrophobicContact CE1-CG 3.71Å; F109-W181 HydrophobicContact CZ-CB 3.92Å; F109-W181 HydrophobicContact CZ-CD2 4.15Å; F109-W181 HydrophobicContact CZ-CE3 4.48Å; F109-W181 AromaticContact CZ-CG 3.88Å; F109-W181 HydrophobicContact CZ-CG 3.88Å; F141-W181 AromaticContact CD1-CD1 3.63Å; F141-W181 AromaticContact CD2-CD1 3.78Å; F141-W181 AromaticContact CD2-NE1 3.4Å; F141-W181 AromaticContact CE1-CD1 3.84Å; F141-W181 AromaticContact CE2-CD1 3.99Å; F141-W181 AromaticContact CE2-NE1 3.39Å; F141-W181 AromaticContact CG-CD1 3.6Å; F141-W181 AromaticContact CG-NE1 3.75Å; F141-W181 AromaticContact CZ-NE1 3.72Å; V177-W181 WeakPolarHBondContact O-CB 3.49Å; V177-W181 PolarHBondContact O-N 3.42Å; F178-W181 HydrophobicContact CD2-CE3 4.15Å; F178-W181 AromaticContact CE2-CE3 3.98Å; F178-W181 HydrophobicContact CE2-CE3 3.98Å; F178-W181 AromaticContact CE2-CZ3 3.96Å; F178-W181 HydrophobicContact CE2-CZ3 3.96Å; F178-W181 PolarHBondContact O-N 3.23Å; W181-R186 PolarHBondContact O-NH2 3.12Å
182R80.7Confident75.8Confident168 Ų16868.9 Ų68.963%0.63435%0.347SS*.Hα-helixtrans-90.1-31.6-177.5-155.9-175.592.1-177.47.3114.8F178 W180F178-R182 WeakPolarHBondContact O-CB 3.48Å; F178-R182 PolarHBondContact O-N 3.38Å; W180-R182 PolarHBondContact O-N 3.08Å
183K76.1Confident78Confident100 Ų10063 Ų6344%0.43531%0.306SS..Hα-helixtrans-115.4-24.3-169-61.1172.4176.4172.20115.6E179 W180E179-K183 VanDerWaalsContact O-CB 3.29Å; E179-K183 WeakPolarHBondContact O-CB 3.17Å; E179-K183 PolarHBondContact O-N 3.35Å; E179-K183 WeakPolarHBondContact OE1-CE 3.42Å; E179-K183 IonicContact OE1-NZ 3.82Å; E179-K183 PolarHBondContact OE1-NZ 3.32Å; E179-K183 IonicContact OE2-NZ 3.69Å; E179-K183 PolarHBondContact OE2-NZ 3.42Å; W180-K183 PolarHBondContact O-N 3.05Å
184Y75.6Confident79.7Confident75 Ų7555.8 Ų55.829%0.29427%0.274SS..SBendtrans-109.3148.2-165.3-70.5-101.2000113.3P165 W180P165-Y184 HydrophobicContact CB-CD1 4.09Å; P165-Y184 HydrophobicContact CB-CE1 4.38Å; P165-Y184 HydrophobicContact CG-CD1 4.23Å; P165-Y184 HydrophobicContact CG-CE1 4.41Å; W180-Y184 PolarHBondContact O-N 2.95Å
185P71.4Confident81.1Confident109 Ų10952.9 Ų52.971%0.70826%0.256SS*.  trans-66.1136.6174.828-34.5000111.1T187P185-T187 PolarHBondContact O-N 3.13Å
186R80.3Confident81.9Confident125 Ų12552.9 Ų52.947%0.47226%0.257SS..  trans-91.888-168.4-60.8178.6-172.2150.52111.9F162 W180 W181 K188F162-R186 HydrophobicContact CD1-CB 3.82Å; F162-R186 HydrophobicContact CE1-CB 3.79Å; W180-R186 HydrophobicContact CZ2-CG 4.25Å; W181-R186 PolarHBondContact O-NH2 3.12Å; R186-K188 PolarHBondContact O-N 3.11Å
187T80.6Confident82.5Confident80 Ų8050.4 Ų50.449%0.49125%0.245SC..  trans-71.8112.7173.742.80000111F162 C163 P185F162-T187 VanDerWaalsContact CA-O 3.28Å; F162-T187 WeakPolarHBondContact CA-O 3.4Å; F162-T187 WeakPolarHBondContact CB-O 3.38Å; C163-T187 PolarHBondContact N-O 3.47Å; P185-T187 PolarHBondContact O-N 3.13Å
188K82.8Confident82.9Confident161 Ų16153.5 Ų53.570%0.726%0.258SS*.EExtended strand (participates in β ladder)trans-63.4134.3179.7-63.4-178-177.6-179.80110.9F162 R186F162-K188 HydrophobicContact CD1-CG 4.46Å; F162-K188 HydrophobicContact CE1-CG 4.09Å; R186-K188 PolarHBondContact O-N 3.11Å
189Y82.3Confident82.9Confident16 Ų1653.7 Ų53.76%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-87.6150168-162.4-77.9000109L18 K19 I137 A138 Q160 L161 S191L18-Y189 HydrophobicContact CD2-CE1 4.1Å; K19-Y189 HydrophobicContact CB-CE1 4.47Å; K19-Y189 WeakPolarHBondContact CB-OH 3.28Å; K19-Y189 HydrophobicContact CD-CE2 4.36Å; K19-Y189 HydrophobicContact CG-CE1 3.93Å; K19-Y189 PolarHBondContact N-OH 2.86Å; K19-Y189 VanDerWaalsContact N-OH 3.13Å; I137-Y189 HydrophobicContact CG2-CE2 4.27Å; I137-Y189 WeakPolarHBondContact O-CE2 3.33Å; A138-Y189 HydrophobicContact CB-CD2 3.83Å; A138-Y189 HydrophobicContact CB-CE2 4Å; A138-Y189 HydrophobicContact CB-CG 4.21Å; Q160-Y189 PolarHBondContact NE2-O 3.5Å; L161-Y189 HydrophobicContact CB-CG 4.4Å; L161-Y189 WeakPolarHBondContact O-CB 3.5Å; L161-Y189 PolarHBondContact O-N 3.49Å; Y189-S191 VanDerWaalsContact CD1-OG 3.32Å; Y189-S191 WeakPolarHBondContact CD1-OG 3.33Å; Y189-S191 VanDerWaalsContact CE1-OG 3.24Å; Y189-S191 WeakPolarHBondContact CE1-OG 3.28Å; Y189-S191 PolarHBondContact O-N 2.75Å
190A79.1Confident82.8Confident86 Ų8653.8 Ų53.871%0.71127%0.265SS*.EExtended strand (participates in β ladder)trans-79.334.3-173.900000114.4
191S85.9Confident82.3Confident5 Ų559.7 Ų59.74%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-153.2161.9-173-42.10000110.3R17 Q160 L161 Y189R17-S191 WeakPolarHBondContact O-CB 3.35Å; R17-S191 PolarHBondContact O-OG 3.17Å; Q160-S191 PolarHBondContact NE2-O 2.86Å; L161-S191 WeakPolarHBondContact CB-O 3.48Å; L161-S191 PolarHBondContact N-O 2.9Å; Y189-S191 VanDerWaalsContact CD1-OG 3.32Å; Y189-S191 WeakPolarHBondContact CD1-OG 3.33Å; Y189-S191 VanDerWaalsContact CE1-OG 3.24Å; Y189-S191 WeakPolarHBondContact CE1-OG 3.28Å; Y189-S191 PolarHBondContact O-N 2.75Å
192T89.6Confident81.3Confident10 Ų1061.8 Ų61.86%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-125.4163.3169.470.60000112T15 D16 R158 L159T15-T192 CarbonylContact C-O 3.45Å; T15-T192 WeakPolarHBondContact CA-O 3.44Å; T15-T192 WeakPolarHBondContact CB-O 3.33Å; D16-T192 PolarHBondContact N-O 3Å; D16-T192 WeakPolarHBondContact OD2-CB 3.49Å; D16-T192 PolarHBondContact OD2-N 3.14Å; D16-T192 VanDerWaalsContact OD2-N 3.08Å; D16-T192 PolarHBondContact OD2-OG1 2.75Å; R158-T192 HydrophobicContact CG-CG2 4.05Å; R158-T192 WeakPolarHBondContact CG-OG1 3.37Å; R158-T192 PolarHBondContact NE-OG1 2.83Å; L159-T192 CarbonylContact O-C 3.56Å; L159-T192 VanDerWaalsContact O-CA 3.24Å; L159-T192 WeakPolarHBondContact O-CA 3.5Å; L159-T192 VanDerWaalsContact O-CB 3.23Å; L159-T192 WeakPolarHBondContact O-CB 3.33Å
193L90.7Very high80.2Confident0 Ų057.5 Ų57.50%030%0.301CS..EExtended strand (participates in β ladder)trans-117.513217717771.7000109.3V12 T15 V29 W83 F110 L159 L161 V195V12-L193 HydrophobicContact CG1-CD1 4.28Å; T15-L193 HydrophobicContact CG2-CB 4.13Å; T15-L193 HydrophobicContact CG2-CD1 3.52Å; T15-L193 HydrophobicContact CG2-CG 4.44Å; V29-L193 HydrophobicContact CG1-CD2 4.35Å; V29-L193 HydrophobicContact CG2-CD1 4.27Å; W83-L193 HydrophobicContact CZ3-CD1 4.03Å; F110-L193 HydrophobicContact CB-CD2 3.7Å; F110-L193 HydrophobicContact CD1-CD2 4.07Å; F110-L193 HydrophobicContact CG-CD2 3.89Å; L159-L193 HydrophobicContact CB-CB 4.45Å; L159-L193 WeakPolarHBondContact CB-O 3.45Å; L159-L193 PolarHBondContact N-O 3.46Å; L159-L193 PolarHBondContact O-N 3.21Å; L161-L193 HydrophobicContact CD1-CB 4.3Å; L161-L193 HydrophobicContact CD2-CB 4.24Å; L161-L193 HydrophobicContact CG-CB 4.22Å; L193-V195 HydrophobicContact CD2-CG2 3.92Å; L193-V195 HydrophobicContact CG-CG2 3.86Å
194Y89.9Confident78.7Confident40 Ų4062.9 Ų62.916%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-101.8120.7-179.3-60.1-93.9000111H13 R14 D16 L157 R158H13-Y194 WeakPolarHBondContact CB-O 3.38Å; H13-Y194 PolarHBondContact CD2-O 3.1Å; H13-Y194 PolarHBondContact N-O 3.17Å; R14-Y194 HydrophobicContact CG-CD2 3.69Å; R14-Y194 HydrophobicContact CG-CE2 4.33Å; R14-Y194 HydrophobicContact CG-CG 4.4Å; R14-Y194 WeakPolarHBondContact O-CD2 3.43Å; R14-Y194 PolarHBondContact O-N 3.21Å; D16-Y194 VanDerWaalsContact OD1-CE2 3.24Å; D16-Y194 WeakPolarHBondContact OD1-CE2 3.26Å; D16-Y194 PolarHBondContact OD1-OH 3.48Å; L157-Y194 WeakPolarHBondContact O-CA 3.47Å; R158-Y194 HydrophobicContact CB-CD1 4.2Å; R158-Y194 HydrophobicContact CB-CE1 4.06Å; R158-Y194 HydrophobicContact CG-CD1 4.19Å; R158-Y194 HydrophobicContact CG-CE1 3.7Å; R158-Y194 PolarHBondContact NE-OH 3.26Å
195V90.9Very high76.9Confident0 Ų064.3 Ų64.30%035%0.348CS..EExtended strand (participates in β ladder)trans-134147.2-174.7-173.40000110.6V10 F11 F110 L157 L159 L193V10-V195 HydrophobicContact CG1-CG1 3.62Å; F11-V195 CarbonylContact O-C 3.59Å; F11-V195 WeakPolarHBondContact O-CA 3.33Å; F110-V195 HydrophobicContact CD1-CG2 4.35Å; F110-V195 HydrophobicContact CE1-CG1 3.92Å; F110-V195 HydrophobicContact CE1-CG2 3.99Å; F110-V195 HydrophobicContact CZ-CB 4.47Å; F110-V195 HydrophobicContact CZ-CG1 3.82Å; F110-V195 HydrophobicContact CZ-CG2 4.18Å; L157-V195 PolarHBondContact N-O 3.24Å; L157-V195 PolarHBondContact O-N 3.43Å; L159-V195 HydrophobicContact CD1-CB 4.22Å; L159-V195 HydrophobicContact CD1-CG2 3.75Å; L159-V195 HydrophobicContact CG-CG2 4.43Å; L193-V195 HydrophobicContact CD2-CG2 3.92Å; L193-V195 HydrophobicContact CG-CG2 3.86Å
196T88.1Confident75.7Confident16 Ų1663.8 Ų63.810%0.09834%0.343CS..EExtended strand (participates in β ladder)trans-125.1128.2166.3-65.60000109.2F11 H13 S155 K156F11-T196 PolarHBondContact N-O 3.1Å; F11-T196 PolarHBondContact O-N 3.07Å; H13-T196 PolarHBondContact NE2-OG1 3.22Å; S155-T196 WeakPolarHBondContact O-CB 3.24Å; S155-T196 WeakPolarHBondContact O-CG2 3.49Å; S155-T196 PolarHBondContact O-OG1 3.18Å; S155-T196 VanDerWaalsContact O-OG1 3.08Å; K156-T196 WeakPolarHBondContact CA-OG1 3.12Å
197V86.4Confident73.6Confident0 Ų064.6 Ų64.60%036%0.356CS..EExtended strand (participates in β ladder)trans-104.8132.8171.3-1760000108.3L8 G9 V10 L108 L142 L144 I153 E154L8-V197 HydrophobicContact CD1-CG1 3.8Å; G9-V197 WeakPolarHBondContact O-CA 3.38Å; V10-V197 HydrophobicContact CG1-CG2 4.36Å; V10-V197 HydrophobicContact CG2-CG2 4.4Å; L108-V197 HydrophobicContact CD1-CG2 3.76Å; L142-V197 HydrophobicContact CD2-CG2 3.8Å; L144-V197 HydrophobicContact CD2-CB 4.41Å; L144-V197 HydrophobicContact CD2-CG1 3.98Å; L144-V197 HydrophobicContact CD2-CG2 4.22Å; I153-V197 WeakPolarHBondContact CG2-O 3.23Å; E154-V197 PolarHBondContact N-O 3.3Å
198K85.5Confident71.7Confident67 Ų6765.7 Ų65.729%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-151.3153.1-179.354173.7179.91730111.4G9 I200G9-K198 WeakPolarHBondContact CA-O 3.49Å; G9-K198 PolarHBondContact N-O 3.27Å; G9-K198 PolarHBondContact O-N 2.86Å; K198-I200 HydrophobicContact CD-CD1 4.32Å; K198-I200 HydrophobicContact CD-CG1 4.16Å; K198-I200 HydrophobicContact CG-CD1 4.18Å; K198-I200 HydrophobicContact CG-CG1 3.9Å
199G81.3Confident69.7Low16 Ų1661.2 Ų61.217%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-71.6138.7162.200000109.7
200I78.1Confident67.6Low25 Ų2568.9 Ų68.913%0.12840%0.403CS..EExtended strand (participates in β ladder)trans-131.9134.2-179.9-50.2-174.7000108.7V7 Q86 I88 K198V7-I200 WeakPolarHBondContact CB-O 3.44Å; V7-I200 PolarHBondContact N-O 2.71Å; V7-I200 PolarHBondContact O-N 2.72Å; Q86-I200 VanDerWaalsContact CD-CD1 3.42Å; Q86-I200 HydrophobicContact CG-CD1 4.04Å; I88-I200 HydrophobicContact CG1-CD1 4.5Å; K198-I200 HydrophobicContact CD-CD1 4.32Å; K198-I200 HydrophobicContact CD-CG1 4.16Å; K198-I200 HydrophobicContact CG-CD1 4.18Å; K198-I200 HydrophobicContact CG-CG1 3.9Å
201K70.9Confident66.2Low127 Ų12770.2 Ų70.255%0.55239%0.389SS*.PPolyproline II helixtrans-76.9124165.5-64-163.2175.1-1600108.6D3 L6D3-K201 IonicContact OD1-NZ 3.85Å; D3-K201 WeakPolarHBondContact OD2-CE 3.33Å; D3-K201 IonicContact OD2-NZ 3.97Å; D3-K201 PolarHBondContact OD2-NZ 3.03Å; L6-K201 HydrophobicContact CD2-CG 3.72Å
202P61.2Low63.7Low71 Ų7175.4 Ų75.446%0.46143%0.425SS..PPolyproline II helixtrans-62.7138.9-179.826.4-33.5000110G5 V7G5-P202 WeakPolarHBondContact O-CD 3.49Å; V7-P202 HydrophobicContact CG2-CG 4.18Å
203P56.8Low61.2Low78 Ų7880.7 Ų80.751%0.50645%0.451SS..PPolyproline II helixtrans-62.3143.8173.1-20.832.7000111.5C205 V206P203-C205 PolarHBondContact O-N 3.05Å; P203-V206 HydrophobicContact CB-CG2 3.83Å; P203-V206 HydrophobicContact CG-CG2 3.89Å
204E46.5Very low58.7Low213 Ų21386.6 Ų86.6100%0.99548%0.48SS*.SBendtrans-63.5-24-180-62.4-178.8150.800113.2
205C37.8Very low56Low105 Ų10589.9 Ų89.971%0.70952%0.516SS*.  trans-132.5130.3167.9-170.40000109.3P203P203-C205 PolarHBondContact O-N 3.05Å
206V46.3Very low53.5Low99 Ų9995.2 Ų95.260%0.654%0.544SS*.  trans-130.8111.6174179.20000107.4P203P203-V206 HydrophobicContact CB-CG2 3.83Å; P203-V206 HydrophobicContact CG-CG2 3.89Å
207D34.5Very low50.6Low142 Ų142103 Ų10376%0.75958%0.579SS**  trans-58.8128.9171.8-70.4-53.6000109.5G209D207-G209 VanDerWaalsContact C-N 3.3Å; D207-G209 PolarHBondContact O-N 2.97Å
208P41.3Very low47.8Very low103 Ų103109.5 Ų109.567%0.66961%0.609SS**  trans-71.286.8-179.228.5-34.3000110.2M210P208-M210 PolarHBondContact O-N 2.92Å
209G41.6Very low45Very low66 Ų66114.7 Ų114.768%0.6864%0.635SS**  trans-59.2100177.500000111.3D207 R211D207-G209 VanDerWaalsContact C-N 3.3Å; D207-G209 PolarHBondContact O-N 2.97Å; G209-R211 PolarHBondContact O-N 3.17Å
210M37.8Very low42.4Very low178 Ų178123.9 Ų123.988%0.87766%0.664SS**  trans-58.797.9-176.4-70.7178.765.300111.6P208P208-M210 PolarHBondContact O-N 2.92Å
211R48.8Very low40.1Very low113 Ų113125.7 Ų125.743%0.42669%0.689SS.*  trans-81.2128.1166.7-64.1-173.6-175-115.8-9.2108.6I67 E85 G209 M213I67-R211 PolarHBondContact O-NH1 3.33Å; E85-R211 IonicContact OE1-CZ 2.72Å; E85-R211 IonicContact OE1-NH1 3.85Å; E85-R211 PolarHBondContact OE1-NH1 3.41Å; E85-R211 IonicContact OE1-NH2 2.64Å; E85-R211 PolarHBondContact OE1-NH2 3.38Å; G209-R211 PolarHBondContact O-N 3.17Å; R211-M213 PolarHBondContact O-N 2.78Å; R211-M213 VanDerWaalsContact O-N 3.16Å
212S34.7Very low38.3Very low114 Ų114125.4 Ų125.480%0.79770%0.703SS**  trans-64.9113.7171.1179.50000109.7M214S212-M214 PolarHBondContact O-N 2.91Å; S212-M214 VanDerWaalsContact O-N 3.16Å
213M36.9Very low37Very low122 Ų122127.8 Ų127.860%0.60172%0.717SS**  trans-74.697.4165.3-74.5-149.1-5400109.7Y55 R211Y55-M213 VanDerWaalsContact CB-SD 3.55Å; Y55-M213 HydrophobicContact CD1-CE 4.08Å; Y55-M213 HydrophobicContact CD2-CE 3.84Å; Y55-M213 HydrophobicContact CD2-CG 3.63Å; Y55-M213 HydrophobicContact CD2-SD 3.54Å; Y55-M213 VanDerWaalsContact CD2-SD 3.54Å; Y55-M213 HydrophobicContact CE2-CE 4.47Å; Y55-M213 HydrophobicContact CE2-CG 4.01Å; Y55-M213 HydrophobicContact CE2-SD 4.42Å; Y55-M213 HydrophobicContact CG-CE 3.61Å; Y55-M213 HydrophobicContact CG-CG 4.37Å; Y55-M213 HydrophobicContact CG-SD 3.71Å; R211-M213 PolarHBondContact O-N 2.78Å; R211-M213 VanDerWaalsContact O-N 3.16Å
214M38.3Very low35.8Very low123 Ų123126.4 Ų126.461%0.60671%0.709SS**  trans59.7137164-51.7-174.573.800117.1S212 L216S212-M214 PolarHBondContact O-N 2.91Å; S212-M214 VanDerWaalsContact O-N 3.16Å; M214-L216 HydrophobicContact CB-CB 4.28Å; M214-L216 HydrophobicContact CB-CD1 4.06Å; M214-L216 HydrophobicContact CB-CG 3.96Å; M214-L216 HydrophobicContact CE-CD1 3.6Å; M214-L216 HydrophobicContact CE-CG 4.17Å; M214-L216 PolarHBondContact O-N 2.85Å; M214-L216 HydrophobicContact SD-CD1 3.69Å
215A33Very low35.3Very low110 Ų110125.1 Ų125.191%0.90970%0.696SS**SBendtrans-73.571.816300000110.4
216L37.2Very low35.3Very low112 Ų112123.6 Ų123.659%0.58669%0.686SS**  trans-121.419.7177.5-77.6-179.4000113M214 E218M214-L216 HydrophobicContact CB-CB 4.28Å; M214-L216 HydrophobicContact CB-CD1 4.06Å; M214-L216 HydrophobicContact CB-CG 3.96Å; M214-L216 HydrophobicContact CE-CD1 3.6Å; M214-L216 HydrophobicContact CE-CG 4.17Å; M214-L216 PolarHBondContact O-N 2.85Å; M214-L216 HydrophobicContact SD-CD1 3.69Å; L216-E218 PolarHBondContact O-N 3.31Å
217Q28.2Very low34.9Very low179 Ų179124 Ų12484%0.83669%0.685SS**  trans-69.8127.5164-176164.2-15.500108.9E219Q217-E219 PolarHBondContact O-N 3.44Å; Q217-E219 VanDerWaalsContact O-N 3.07Å
218E26.9Very low35.1Very low136 Ų136124 Ų12464%0.63669%0.685SS**  trans-65107.2167.7-73.3-169.2150.900108.9L216 R220L216-E218 PolarHBondContact O-N 3.31Å; E218-R220 HydrophobicContact CB-CG 4.02Å; E218-R220 PolarHBondContact O-N 2.87Å; E218-R220 IonicContact OE2-CZ 3.6Å; E218-R220 IonicContact OE2-NE 3.7Å; E218-R220 PolarHBondContact OE2-NE 2.79Å; E218-R220 IonicContact OE2-NH2 3.94Å; E218-R220 PolarHBondContact OE2-NH2 3.33Å
219E26.6Very low34.8Very low177 Ų177125.5 Ų125.583%0.82768%0.683SS**  trans-60.589.1153.9-82.9-71.4147.900108.1Q217 G221Q217-E219 PolarHBondContact O-N 3.44Å; Q217-E219 VanDerWaalsContact O-N 3.07Å; E219-G221 PolarHBondContact O-N 2.78Å
220R27.5Very low34.3Very low208 Ų208129.1 Ų129.179%0.78569%0.687SS**  trans-74.955.9174-74.4-168.5171.4-163.7-3.5111.8E218 S222E218-R220 HydrophobicContact CB-CG 4.02Å; E218-R220 PolarHBondContact O-N 2.87Å; E218-R220 IonicContact OE2-CZ 3.6Å; E218-R220 IonicContact OE2-NE 3.7Å; E218-R220 PolarHBondContact OE2-NE 2.79Å; E218-R220 IonicContact OE2-NH2 3.94Å; E218-R220 PolarHBondContact OE2-NH2 3.33Å; R220-S222 PolarHBondContact O-N 2.91Å
221G29.5Very low34.1Very low63 Ų63128.7 Ų128.765%0.64969%0.688SS**  trans-75.194.9162.500000109.5E219 T223E219-G221 PolarHBondContact O-N 2.78Å; G221-T223 PolarHBondContact O-N 2.79Å; G221-T223 VanDerWaalsContact O-N 3.11Å
222S33.7Very low33.5Very low122 Ų122126.5 Ų126.585%0.85370%0.7SS**  trans-75.996-179.957.40000111.9R220R220-S222 PolarHBondContact O-N 2.91Å
223T34.1Very low33.5Very low121 Ų121126.1 Ų126.174%0.74270%0.698SS**  trans-105.9133.8154.150.40000108.6G221G221-T223 PolarHBondContact O-N 2.79Å; G221-T223 VanDerWaalsContact O-N 3.11Å
224S31.4Very low33.1Very low48 Ų48130.2 Ų130.234%0.33671%0.712SS.*  trans-87.8152.1-173.279.80000111.1S226 D227S224-S226 WeakPolarHBondContact CB-OG 3.34Å; S224-S226 PolarHBondContact O-N 2.86Å; S224-S226 PolarHBondContact OG-OG 2.87Å; S224-D227 WeakPolarHBondContact CA-OD2 3.39Å; S224-D227 VanDerWaalsContact CB-OD2 3.28Å; S224-D227 WeakPolarHBondContact CB-OD2 3.4Å; S224-D227 PolarHBondContact N-OD2 2.96Å; S224-D227 PolarHBondContact O-N 2.87Å; S224-D227 PolarHBondContact OG-N 2.79Å; S224-D227 PolarHBondContact OG-OD1 2.88Å; S224-D227 PolarHBondContact OG-OD2 3.24Å
225Y35.4Very low32.6Very low186 Ų186131 Ų13173%0.72972%0.724SS**G310 helixtrans-62.2-24177.4-162.3-96.1000112.4
226S37.7Very low32.3Very low73 Ų73133.9 Ų133.951%0.5172%0.719SS.*G310 helixtrans-65.1-32.317214.80000113.8S224 L228 Q229S224-S226 WeakPolarHBondContact CB-OG 3.34Å; S224-S226 PolarHBondContact O-N 2.86Å; S224-S226 PolarHBondContact OG-OG 2.87Å; S226-L228 PolarHBondContact O-N 2.86Å; S226-Q229 PolarHBondContact O-N 3.27Å
227D38.2Very low31.9Very low107 Ų107133.2 Ų133.257%0.57272%0.721SS**G310 helixtrans-72-19.6-176.7-56.6-50.6000112.4S224S224-D227 WeakPolarHBondContact CA-OD2 3.39Å; S224-D227 VanDerWaalsContact CB-OD2 3.28Å; S224-D227 WeakPolarHBondContact CB-OD2 3.4Å; S224-D227 PolarHBondContact N-OD2 2.96Å; S224-D227 PolarHBondContact O-N 2.87Å; S224-D227 PolarHBondContact OG-N 2.79Å; S224-D227 PolarHBondContact OG-OD1 2.88Å; S224-D227 PolarHBondContact OG-OD2 3.24Å
228L38.7Very low32.2Very low144 Ų144130.4 Ų130.475%0.75472%0.721SS**G310 helixtrans-92.1-2.7178.7-70.8170.2000114.1S226S226-L228 PolarHBondContact O-N 2.86Å
229Q34Very low32.4Very low134 Ų134131.3 Ų131.363%0.62673%0.73SS**SBendtrans-99.5-9.7-179.2-70.6-168-46.100114.5S226S226-Q229 PolarHBondContact O-N 3.27Å
230N31.9Very low32.4Very low142 Ų142128.1 Ų128.176%0.75973%0.727SS**SBendtrans-96.2-12-174.8-84-21.5000115.7G232N230-G232 PolarHBondContact O-N 3.08Å; N230-G232 VanDerWaalsContact O-N 3.1Å
231D32.8Very low32.5Very low169 Ų169129.9 Ų129.990%0.90473%0.734SS**SBendtrans-87.944.8175.5-154.722.4000111.7
232G36.9Very low32.6Very low67 Ų67134.6 Ų134.669%0.69174%0.738SS**  trans-124.717.6-163.600000115.7N230N230-G232 PolarHBondContact O-N 3.08Å; N230-G232 VanDerWaalsContact O-N 3.1Å
233S33.8Very low32.7Very low106 Ų106134.3 Ų134.374%0.74173%0.734SS**  trans-156.367.7-175.252.40000115.4
234K28.9Very low33.1Very low208 Ų208134.6 Ų134.690%0.90474%0.735SS**  trans-127.390.8157.5-74.8-167.6177.5179.50112.2
235T28.9Very low34.2Very low140 Ų140136.4 Ų136.486%0.85974%0.741SS**  trans-80.6112.6168-49.10000109.2
236E25.5Very low34.9Very low169 Ų169138.2 Ų138.279%0.7975%0.746SS**  trans-117.2152.6167.2-83.8-7014000109.2
237P28.9Very low36.4Very low98 Ų98136.4 Ų136.464%0.63673%0.728SS**  trans-84.7155.9-151.632.3-36000115.1L239P237-L239 PolarHBondContact O-N 2.96Å
238S35.7Very low37.5Very low121 Ų121138 Ų13885%0.84674%0.737SS**  trans-71.5119.4174.955.10000112.1
239L29.1Very low38.7Very low155 Ų155132.4 Ų132.481%0.81271%0.706SS**  trans-124.3129165.5-86.5164.8000111.5P237P237-L239 PolarHBondContact O-N 2.96Å
240S28.6Very low40.1Very low109 Ų109130.9 Ų130.976%0.76270%0.701SS**  trans36.987165.557.90000118.1Q242S240-Q242 PolarHBondContact O-N 2.68Å
241R29.3Very low41.5Very low246 Ų246130.1 Ų130.193%0.92870%0.704SS**  trans-67.7106.4155.1-81.4-177.6171.9168.8-2.1109.8
242Q31.7Very low42.7Very low161 Ų161126 Ų12675%0.75270%0.701SS**  trans-59.1151.6154.4-72.8-84-5.500109.3S240 V244S240-Q242 PolarHBondContact O-N 2.68Å; Q242-V244 PolarHBondContact O-N 2.7Å
243P35.9Very low44.3Very low116 Ų116127 Ų12775%0.75369%0.688SS**  trans-64.6117.7-17826.1-33.5000110.9L245P243-L245 PolarHBondContact O-N 3.41Å
244V41.3Very low46Very low128 Ų128127.8 Ų127.878%0.77668%0.683SS**  trans-70.1104-177.8-178.40000109.8Q242 R246Q242-V244 PolarHBondContact O-N 2.7Å; V244-R246 PolarHBondContact O-N 3.16Å
245L54.3Low48.5Very low85 Ų85118 Ų11845%0.44564%0.641SS.*  trans-65.1115.1174.2-166.5146.2000109.2P243 W247 P302P243-L245 PolarHBondContact O-N 3.41Å; L245-W247 HydrophobicContact CD2-CD2 3.81Å; L245-W247 HydrophobicContact CD2-CE3 3.71Å; L245-W247 HydrophobicContact CD2-CH2 3.67Å; L245-W247 HydrophobicContact CD2-CZ2 3.77Å; L245-W247 HydrophobicContact CD2-CZ3 3.64Å; L245-W247 PolarHBondContact O-N 2.9Å; L245-P302 HydrophobicContact CD1-CG 4.32Å
246R49.8Very low50.9Low224 Ų224117.3 Ų117.385%0.84562%0.622SS**  trans-95.392.4-168.4-165.6-179.5-164.7174.55.8110.9V244V244-R246 PolarHBondContact O-N 3.16Å
247W69.5Low53.7Low35 Ų35111 Ų11113%0.13359%0.593CS.*  trans-52.1145.5174.1-59.1120.7000112.6L245 R249 A280 T282 I301 P302 H557 H559 E560L245-W247 HydrophobicContact CD2-CD2 3.81Å; L245-W247 HydrophobicContact CD2-CE3 3.71Å; L245-W247 HydrophobicContact CD2-CH2 3.67Å; L245-W247 HydrophobicContact CD2-CZ2 3.77Å; L245-W247 HydrophobicContact CD2-CZ3 3.64Å; L245-W247 PolarHBondContact O-N 2.9Å; W247-R249 PolarHBondContact O-N 2.85Å; W247-A280 PolarHBondContact NE1-O 2.75Å; W247-T282 HydrophobicContact CZ2-CG2 4.19Å; W247-I301 HydrophobicContact CH2-CG2 4.06Å; W247-P302 HydrophobicContact CZ3-CB 4.41Å; W247-P302 HydrophobicContact CZ3-CG 4.36Å; W247-H557 AromaticContact CD2-CE1 3.7Å; W247-H557 AromaticContact CE2-CE1 3.59Å; W247-H557 AromaticContact CE2-NE2 3.82Å; W247-H557 AromaticContact CE3-CE1 3.91Å; W247-H557 AromaticContact CH2-CE1 3.98Å; W247-H557 AromaticContact CH2-NE2 3.72Å; W247-H557 AromaticContact CZ2-CE1 3.76Å; W247-H557 AromaticContact CZ2-NE2 3.52Å; W247-H559 HydrophobicContact CB-CB 4.06Å; W247-H559 AromaticContact CD1-CD2 3.81Å; W247-H559 AromaticContact CD1-CG 3.94Å; W247-H559 HydrophobicContact CG-CB 3.8Å; W247-H559 AromaticContact NE1-CD2 3.95Å; W247-E560 HydrophobicContact CE3-CB 4.38Å
248N61.2Low56.4Low142 Ų142106.4 Ų106.476%0.75956%0.564SS**SBendtrans-77.5-21.2-169.3-63.6-80.9000113.9E560N248-E560 VanDerWaalsContact CB-OE1 3.27Å; N248-E560 WeakPolarHBondContact CB-OE1 3.35Å; N248-E560 PolarHBondContact N-OE1 2.78Å; N248-E560 PolarHBondContact ND2-OE1 2.7Å
249R63.9Low58.7Low26 Ų26102.1 Ų102.110%0.09853%0.531CS..SBendtrans-94.3129.7-179.4168.6179172.5-112.2-9.5110.2W247 Q253 C255 P558 H559 N561W247-R249 PolarHBondContact O-N 2.85Å; R249-Q253 HydrophobicContact CG-CB 4.12Å; R249-Q253 PolarHBondContact NE-O 2.74Å; R249-Q253 VanDerWaalsContact NE-O 3.09Å; R249-Q253 PolarHBondContact NH2-O 3.45Å; R249-C255 PolarHBondContact NH2-SG 3.16Å; R249-C255 VanDerWaalsContact NH2-SG 3.36Å; R249-P558 PolarHBondContact NH1-O 3.31Å; R249-H559 WeakPolarHBondContact CB-O 3.39Å; R249-N561 WeakPolarHBondContact CD-OD1 3.47Å
250L65.1Low61.2Low101 Ų10199.2 Ų99.253%0.52951%0.512SS..PPolyproline II helixtrans-82.8148.6177.3-61.2174.6000111.2G252 Q253L250-G252 PolarHBondContact O-N 3.13Å; L250-Q253 HydrophobicContact CB-CG 4.09Å; L250-Q253 WeakPolarHBondContact O-CB 3.42Å; L250-Q253 PolarHBondContact O-N 2.99Å; L250-Q253 VanDerWaalsContact O-N 3.11Å
251P59.7Low63.7Low126 Ų12697.8 Ų97.882%0.81849%0.493SS*.THydrogen-bonded Turntrans-51.1138.9168.6-26.535.3000111.7Q253P251-Q253 VanDerWaalsContact C-N 3.28Å; P251-Q253 PolarHBondContact O-N 3.03Å
252G58.3Low66Low82 Ų8287.9 Ų87.985%0.84547%0.468SS*.THydrogen-bonded Turntrans80.1-7.8-176.400000115.8L250L250-G252 PolarHBondContact O-N 3.13Å
253Q70.4Confident68.4Low90 Ų9082.6 Ų82.642%0.42144%0.444SS..PPolyproline II helixtrans-72.4132.9169.8-72.2-179.8-19.700111.3R249 L250 P251 C255R249-Q253 HydrophobicContact CG-CB 4.12Å; R249-Q253 PolarHBondContact NE-O 2.74Å; R249-Q253 VanDerWaalsContact NE-O 3.09Å; R249-Q253 PolarHBondContact NH2-O 3.45Å; L250-Q253 HydrophobicContact CB-CG 4.09Å; L250-Q253 WeakPolarHBondContact O-CB 3.42Å; L250-Q253 PolarHBondContact O-N 2.99Å; L250-Q253 VanDerWaalsContact O-N 3.11Å; P251-Q253 VanDerWaalsContact C-N 3.28Å; P251-Q253 PolarHBondContact O-N 3.03Å; Q253-C255 PolarHBondContact O-N 2.81Å
254I71.1Confident70.7Confident121 Ų12179.9 Ų79.962%0.62143%0.432SS*.PPolyproline II helixtrans-54.3131.1171.4-53.3174.4000108.7
255C79.6Confident72.6Confident4 Ų474.5 Ų74.53%0.02740%0.398CS..PPolyproline II helixtrans-65.1152.8178.7-41.20000110.4R249 Q253 T513 C515 F518 F556 N561R249-C255 PolarHBondContact NH2-SG 3.16Å; R249-C255 VanDerWaalsContact NH2-SG 3.36Å; Q253-C255 PolarHBondContact O-N 2.81Å; C255-T513 HydrophobicContact CB-CG2 4.25Å; C255-C515 HydrophobicContact CB-CB 4.44Å; C255-C515 WeakPolarHBondContact CB-SG 3.41Å; C255-C515 PolarHBondContact N-SG 2.96Å; C255-C515 WeakPolarHBondContact SG-CB 3.36Å; C255-C515 PolarHBondContact SG-N 3.03Å; C255-C515 CovalentContact SG-SG 2.04Å; C255-C515 PolarHBondContact SG-SG 2.96Å; C255-F518 WeakPolarHBondContact O-CE2 3.45Å; C255-F556 HydrophobicContact CB-CZ 4.41Å; C255-N561 WeakPolarHBondContact CA-OD1 3.47Å
256R80.4Confident73.6Confident125 Ų12581.4 Ų81.447%0.47242%0.418SS..  trans-117.8145.4171.3-62.5-172.4179.1-167.21.4109.6P258 N561 Y579R256-P258 VanDerWaalsContact O-CD 3.3Å; R256-P258 WeakPolarHBondContact O-CD 3.3Å; R256-N561 VanDerWaalsContact N-CG 3.33Å; R256-N561 PolarHBondContact N-OD1 2.89Å; R256-Y579 HydrophobicContact CB-CD1 4.25Å; R256-Y579 HydrophobicContact CB-CD2 3.96Å; R256-Y579 HydrophobicContact CB-CE1 4.37Å; R256-Y579 HydrophobicContact CB-CE2 4.1Å; R256-Y579 HydrophobicContact CB-CG 4.03Å; R256-Y579 VanDerWaalsContact CD-CE1 3.43Å; R256-Y579 VanDerWaalsContact CD-CZ 3.45Å; R256-Y579 PolarHBondContact NH1-OH 3.16Å
257I85Confident74.4Confident35 Ų3570.8 Ų70.818%0.17938%0.378CS..  trans-68121177.7-58.7178.6000108.1F518 F520 V530 V539 A540 Y542 Y579I257-F518 HydrophobicContact CD1-CD1 4.28Å; I257-F518 HydrophobicContact CD1-CE1 4.04Å; I257-F518 HydrophobicContact CG1-CD1 4.43Å; I257-F518 HydrophobicContact CG1-CE1 4.29Å; I257-F518 HydrophobicContact CG1-CZ 4.43Å; I257-F520 HydrophobicContact CG2-CZ 4.35Å; I257-V530 HydrophobicContact CD1-CG1 3.99Å; I257-V530 HydrophobicContact CG1-CG1 4.33Å; I257-V539 HydrophobicContact CD1-CB 3.83Å; I257-V539 HydrophobicContact CD1-CG1 3.51Å; I257-A540 HydrophobicContact CD1-CB 3.94Å; I257-A540 HydrophobicContact CG2-CB 3.8Å; I257-Y542 VanDerWaalsContact CG2-OH 3.28Å; I257-Y542 WeakPolarHBondContact CG2-OH 3.49Å; I257-Y579 WeakPolarHBondContact O-CD2 3.37Å
258P85.4Confident74.6Confident2 Ų270.9 Ų70.91%0.01339%0.39CS..  trans-59.8139.7175-27.739.5000111.9R256 Y542 F556 V563R256-P258 VanDerWaalsContact O-CD 3.3Å; R256-P258 WeakPolarHBondContact O-CD 3.3Å; P258-Y542 WeakPolarHBondContact CD-OH 3.45Å; P258-Y542 WeakPolarHBondContact O-CE1 3.46Å; P258-Y542 PolarHBondContact O-OH 2.77Å; P258-F556 HydrophobicContact CG-CE2 4.16Å; P258-V563 HydrophobicContact CB-CG1 4.08Å; P258-V563 HydrophobicContact CG-CB 4.26Å; P258-V563 HydrophobicContact CG-CG1 3.83Å
259N83.3Confident75.4Confident32 Ų3269.4 Ų69.417%0.17138%0.377CS..  trans-131.5-5-172.663.4-24.5000113.5V578 D580 S584 E587N259-V578 PolarHBondContact N-O 3.05Å; N259-D580 PolarHBondContact ND2-O 2.72Å; N259-D580 PolarHBondContact OD1-N 2.94Å; N259-D580 PolarHBondContact OD1-O 3.28Å; N259-S584 WeakPolarHBondContact ND2-CA 3.33Å; N259-S584 PolarHBondContact ND2-N 2.86Å; N259-E587 PolarHBondContact ND2-OE2 3.39Å
260K80.8Confident76.2Confident93 Ų9370.3 Ų70.340%0.40438%0.383SS..EExtended strand (participates in β ladder)trans-119.1128.2-180-171.8-179.4-176.1-1800110.1G262 Y577 V578 D580 V583K260-G262 PolarHBondContact O-N 2.65Å; K260-Y577 CarbonylContact O-C 3.52Å; K260-Y577 VanDerWaalsContact O-CA 3.28Å; K260-Y577 WeakPolarHBondContact O-CA 3.17Å; K260-V578 WeakPolarHBondContact CB-O 3.35Å; K260-V578 PolarHBondContact N-O 2.79Å; K260-V578 PolarHBondContact O-N 2.58Å; K260-D580 HydrophobicContact CB-CB 3.98Å; K260-D580 HydrophobicContact CD-CB 3.51Å; K260-D580 WeakPolarHBondContact CD-OD2 3.35Å; K260-D580 HydrophobicContact CG-CB 4.41Å; K260-D580 IonicContact NZ-OD2 2.75Å; K260-D580 PolarHBondContact NZ-OD2 2.85Å; K260-V583 HydrophobicContact CB-CG2 4.28Å; K260-V583 HydrophobicContact CD-CG2 3.99Å; K260-V583 HydrophobicContact CG-CG2 4.24Å
261H80.9Confident77.1Confident79 Ų7965.5 Ų65.537%0.36636%0.358SS..EExtended strand (participates in β ladder)trans-61.6122.1167.5-168.2-69000109.2H575 Y577H261-H575 AromaticContact CE1-ND1 3.79Å; H261-H575 AromaticContact NE2-CE1 3.43Å; H261-H575 PolarHBondContact NE2-CE1 2.93Å; H261-H575 AromaticContact NE2-CG 3.51Å; H261-H575 AromaticContact NE2-ND1 3.12Å; H261-H575 PolarHBondContact NE2-ND1 3.42Å; H261-H575 VanDerWaalsContact NE2-ND1 3.12Å; H261-H575 AromaticContact NE2-NE2 3.96Å; H261-Y577 HydrophobicContact CB-CD1 4.49Å; H261-Y577 HydrophobicContact CB-CE1 4.11Å; H261-Y577 AromaticContact CD2-CE2 3.91Å; H261-Y577 AromaticContact CD2-CZ 3.78Å
262G78.4Confident78.5Confident38 Ų3859.5 Ų59.539%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-108.6-57.7-170.600000113.3K260 V576K260-G262 PolarHBondContact O-N 2.65Å; G262-V576 WeakPolarHBondContact CA-O 3.47Å; G262-V576 PolarHBondContact N-O 2.85Å
263L81.6Confident80Confident50 Ų5056.8 Ų56.826%0.26228%0.284SS..EExtended strand (participates in β ladder)trans-135.5148-179.3-60.3171000110.7F265 I301 V576L263-F265 HydrophobicContact CB-CE1 4.15Å; L263-F265 HydrophobicContact CB-CE2 4.46Å; L263-F265 HydrophobicContact CB-CZ 3.9Å; L263-F265 HydrophobicContact CD1-CE1 4.23Å; L263-F265 HydrophobicContact CD1-CZ 3.74Å; L263-F265 HydrophobicContact CG-CZ 4.44Å; L263-I301 HydrophobicContact CD1-CD1 4.49Å; L263-V576 HydrophobicContact CB-CB 4.21Å; L263-V576 PolarHBondContact N-O 2.66Å; L263-V576 VanDerWaalsContact N-O 3.08Å; L263-V576 PolarHBondContact O-N 2.74Å
264A83.9Confident81Confident60 Ų6052.7 Ų52.750%0.49627%0.265SS..EExtended strand (participates in β ladder)trans-126.2122.7168.300000110.5V574A264-V574 CarbonylContact C-O 3.14Å; A264-V574 VanDerWaalsContact CA-O 3.31Å; A264-V574 WeakPolarHBondContact CA-O 3.32Å
265F82.6Confident82.1Confident14 Ų1447.2 Ų47.26%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-103.6148175-48.3-59.5000111.1L263 G267 L284 Y299 I301 P573 V574 V576L263-F265 HydrophobicContact CB-CE1 4.15Å; L263-F265 HydrophobicContact CB-CE2 4.46Å; L263-F265 HydrophobicContact CB-CZ 3.9Å; L263-F265 HydrophobicContact CD1-CE1 4.23Å; L263-F265 HydrophobicContact CD1-CZ 3.74Å; L263-F265 HydrophobicContact CG-CZ 4.44Å; F265-G267 PolarHBondContact O-N 3.22Å; F265-L284 HydrophobicContact CD2-CD2 4.18Å; F265-L284 HydrophobicContact CE2-CD2 3.73Å; F265-Y299 HydrophobicContact CB-CD1 4.28Å; F265-Y299 HydrophobicContact CB-CE1 3.63Å; F265-Y299 HydrophobicContact CB-CE2 4.16Å; F265-Y299 AromaticContact CD1-CD1 3.56Å; F265-Y299 HydrophobicContact CD1-CD1 3.56Å; F265-Y299 AromaticContact CD1-CE1 3.69Å; F265-Y299 HydrophobicContact CD1-CE1 3.69Å; F265-Y299 HydrophobicContact CD1-CG 4.19Å; F265-Y299 HydrophobicContact CD2-CD1 4.28Å; F265-Y299 HydrophobicContact CD2-CD2 4.18Å; F265-Y299 HydrophobicContact CD2-CE1 4.42Å; F265-Y299 HydrophobicContact CD2-CE2 4.33Å; F265-Y299 HydrophobicContact CD2-CG 4.16Å; F265-Y299 AromaticContact CE1-CD1 3.89Å; F265-Y299 HydrophobicContact CE1-CD1 3.89Å; F265-Y299 HydrophobicContact CE1-CE1 4.47Å; F265-Y299 HydrophobicContact CE1-CG 4.28Å; F265-Y299 HydrophobicContact CE2-CG 4.24Å; F265-Y299 AromaticContact CG-CD1 3.78Å; F265-Y299 HydrophobicContact CG-CD1 3.78Å; F265-Y299 HydrophobicContact CG-CD2 4.35Å; F265-Y299 AromaticContact CG-CE1 3.66Å; F265-Y299 HydrophobicContact CG-CE1 3.66Å; F265-Y299 HydrophobicContact CG-CE2 4.25Å; F265-Y299 HydrophobicContact CG-CG 4.13Å; F265-Y299 AromaticContact CG-CZ 3.92Å; F265-Y299 HydrophobicContact CZ-CD1 4.36Å; F265-Y299 HydrophobicContact CZ-CG 4.29Å; F265-I301 HydrophobicContact CE2-CD1 4.26Å; F265-I301 HydrophobicContact CZ-CD1 3.96Å; F265-P573 CarbonylContact O-C 3.55Å; F265-P573 VanDerWaalsContact O-CA 3.22Å; F265-P573 WeakPolarHBondContact O-CA 3.45Å; F265-P573 VanDerWaalsContact O-CB 3.3Å; F265-P573 WeakPolarHBondContact O-CB 3.34Å; F265-V574 HydrophobicContact CB-CB 4.19Å; F265-V574 HydrophobicContact CD2-CB 4.21Å; F265-V574 HydrophobicContact CD2-CG1 4.19Å; F265-V574 PolarHBondContact N-O 2.56Å; F265-V574 PolarHBondContact O-N 3.08Å; F265-V576 HydrophobicContact CD2-CG2 4.29Å; F265-V576 HydrophobicContact CE2-CG2 3.64Å; F265-V576 HydrophobicContact CZ-CG2 4.46Å
266R75.5Confident82.8Confident230 Ų23049.5 Ų49.587%0.86825%0.249SC*.EExtended strand (participates in β ladder)trans-84.7104.3177-69.1-174.8175.4-166.6-1.1110.3G268R266-G268 PolarHBondContact O-N 2.73Å
267G65.6Low83.4Confident1 Ų143.9 Ų43.91%0.0123%0.228CC..  trans-7441.7-179.200000115.4F265 G271 C272F265-G267 PolarHBondContact O-N 3.22Å; G267-G271 CarbonylContact O-C 3.57Å; G267-G271 WeakPolarHBondContact O-CA 3.1Å; G267-G271 PolarHBondContact O-N 2.85Å; G267-C272 WeakPolarHBondContact CA-SG 3.15Å
268G73.3Confident83.8Confident37 Ų3742.2 Ų42.238%0.38122%0.219SC..THydrogen-bonded Turntrans67.8-157.8-172.300000113.4R266R266-G268 PolarHBondContact O-N 2.73Å
269K79.6Confident83.9Confident111 Ų11147 Ų4748%0.48324%0.241SC..THydrogen-bonded Turntrans-85.9-23.6-178.2-60.8-168.1-162.475.30113.6A289 D290 S571K269-A289 PolarHBondContact N-O 2.83Å; K269-D290 WeakPolarHBondContact CD-OD1 3.4Å; K269-D290 WeakPolarHBondContact CE-OD1 3.49Å; K269-D290 WeakPolarHBondContact CG-OD1 3.17Å; K269-D290 IonicContact NZ-OD1 2.7Å; K269-D290 PolarHBondContact NZ-OD1 3.13Å; K269-D290 IonicContact NZ-OD2 3.37Å; K269-D290 PolarHBondContact NZ-OD2 3.47Å; K269-S571 PolarHBondContact O-N 2.77Å
270M80.1Confident84Confident46 Ų4647.5 Ų47.523%0.22725%0.25CS..THydrogen-bonded Turntrans-11610.9-176.1-53.2-95.958.600112.7A289 F568 G569 Q570M270-A289 WeakPolarHBondContact CA-O 3.32Å; M270-A289 HydrophobicContact CB-CB 3.77Å; M270-A289 WeakPolarHBondContact CB-O 3.22Å; M270-A289 PolarHBondContact N-O 2.95Å; M270-F568 HydrophobicContact CB-CD2 4.4Å; M270-F568 HydrophobicContact CB-CE2 3.7Å; M270-F568 HydrophobicContact CB-CZ 4.39Å; M270-F568 WeakPolarHBondContact O-CD2 3.47Å; M270-F568 VanDerWaalsContact O-CE2 3.31Å; M270-F568 WeakPolarHBondContact O-CE2 3.26Å; M270-G569 CarbonylContact C-O 3.57Å; M270-G569 WeakPolarHBondContact CA-O 3.2Å; M270-G569 CarbonylContact O-C 3.54Å; M270-G569 PolarHBondContact O-N 3.21Å; M270-Q570 HydrophobicContact CE-CB 4.31Å; M270-Q570 HydrophobicContact CE-CG 3.48Å; M270-Q570 VanDerWaalsContact CE-CG 3.48Å
271G84.8Confident84.2Confident0 Ų043.1 Ų43.10%023%0.231CC..BIsolated β-bridgetrans76.7-168.9178.900000113.2G267 A289 G569 Q572G267-G271 CarbonylContact O-C 3.57Å; G267-G271 WeakPolarHBondContact O-CA 3.1Å; G267-G271 PolarHBondContact O-N 2.85Å; G271-A289 PolarHBondContact O-N 2.95Å; G271-G569 PolarHBondContact N-O 2.72Å; G271-Q572 WeakPolarHBondContact CA-O 3.32Å
272C88.9Confident84.6Confident0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-118.8139.3-176.6-55.30000112.3G267 A287 C288 C566 A567 F568 V574G267-C272 WeakPolarHBondContact CA-SG 3.15Å; C272-A287 CarbonylContact C-O 3.25Å; C272-A287 WeakPolarHBondContact CA-O 3.5Å; C272-A287 WeakPolarHBondContact CB-O 3.15Å; C272-C288 PolarHBondContact SG-SG 3.48Å; C272-C566 HydrophobicContact CB-CB 3.87Å; C272-C566 PolarHBondContact O-SG 3.01Å; C272-A567 PolarHBondContact N-O 2.94Å; C272-A567 CarbonylContact O-C 3.47Å; C272-A567 VanDerWaalsContact O-C 3.25Å; C272-F568 PolarHBondContact O-N 3.07Å; C272-V574 HydrophobicContact CB-CG2 4.07Å; C272-V574 WeakPolarHBondContact SG-CG2 3.43Å
273F89Confident85.2Confident24 Ų2442.6 Ų42.611%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-81.6-40.3176.3-84.4-79.8000113.2A287 A289 I316 H552 F568F273-A287 PolarHBondContact N-O 2.87Å; F273-A289 HydrophobicContact CE2-CB 4.36Å; F273-I316 HydrophobicContact CD1-CG2 4.03Å; F273-I316 HydrophobicContact CD2-CB 4.47Å; F273-I316 HydrophobicContact CD2-CG1 4.41Å; F273-I316 HydrophobicContact CD2-CG2 3.58Å; F273-I316 HydrophobicContact CE1-CD1 4.42Å; F273-I316 HydrophobicContact CE1-CG2 4.01Å; F273-I316 HydrophobicContact CE2-CB 4.12Å; F273-I316 HydrophobicContact CE2-CD1 3.94Å; F273-I316 HydrophobicContact CE2-CG1 3.61Å; F273-I316 HydrophobicContact CE2-CG2 3.53Å; F273-I316 HydrophobicContact CG-CG2 3.81Å; F273-I316 HydrophobicContact CZ-CB 4.43Å; F273-I316 HydrophobicContact CZ-CD1 3.6Å; F273-I316 HydrophobicContact CZ-CG1 3.83Å; F273-I316 HydrophobicContact CZ-CG2 3.75Å; F273-H552 WeakPolarHBondContact O-CB 3.27Å; F273-F568 HydrophobicContact CD1-CB 4.2Å; F273-F568 HydrophobicContact CD1-CG 4.23Å; F273-F568 AromaticContact CD2-CD2 3.7Å; F273-F568 HydrophobicContact CD2-CD2 3.7Å; F273-F568 HydrophobicContact CD2-CE2 4.13Å; F273-F568 HydrophobicContact CD2-CG 4.19Å; F273-F568 HydrophobicContact CE1-CB 4.07Å; F273-F568 AromaticContact CE1-CD1 3.77Å; F273-F568 HydrophobicContact CE1-CD1 3.77Å; F273-F568 HydrophobicContact CE1-CD2 4.1Å; F273-F568 HydrophobicContact CE1-CE1 4.24Å; F273-F568 AromaticContact CE1-CG 3.69Å; F273-F568 HydrophobicContact CE1-CG 3.69Å; F273-F568 HydrophobicContact CE2-CB 4.48Å; F273-F568 HydrophobicContact CE2-CD1 4.14Å; F273-F568 AromaticContact CE2-CD2 3.15Å; F273-F568 HydrophobicContact CE2-CD2 3.15Å; F273-F568 HydrophobicContact CE2-CE1 4.17Å; F273-F568 AromaticContact CE2-CE2 3.21Å; F273-F568 HydrophobicContact CE2-CE2 3.21Å; F273-F568 AromaticContact CE2-CG 3.67Å; F273-F568 HydrophobicContact CE2-CG 3.67Å; F273-F568 AromaticContact CE2-CZ 3.74Å; F273-F568 HydrophobicContact CE2-CZ 3.74Å; F273-F568 HydrophobicContact CG-CB 4.46Å; F273-F568 HydrophobicContact CG-CD2 4.37Å; F273-F568 HydrophobicContact CG-CG 4.46Å; F273-F568 HydrophobicContact CZ-CB 4.23Å; F273-F568 AromaticContact CZ-CD1 3.45Å; F273-F568 HydrophobicContact CZ-CD1 3.45Å; F273-F568 VanDerWaalsContact CZ-CD1 3.45Å; F273-F568 AromaticContact CZ-CD2 3.4Å; F273-F568 HydrophobicContact CZ-CD2 3.4Å; F273-F568 AromaticContact CZ-CE1 3.52Å; F273-F568 HydrophobicContact CZ-CE1 3.52Å; F273-F568 AromaticContact CZ-CE2 3.48Å; F273-F568 HydrophobicContact CZ-CE2 3.48Å; F273-F568 VanDerWaalsContact CZ-CE2 3.48Å; F273-F568 AromaticContact CZ-CG 3.39Å; F273-F568 HydrophobicContact CZ-CG 3.39Å; F273-F568 AromaticContact CZ-CZ 3.54Å; F273-F568 HydrophobicContact CZ-CZ 3.54Å
274T90.8Very high85.8Confident5 Ų540.2 Ų40.23%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-147.1153.1-177.7-175.30000111.2A287 Y318 L320T274-A287 HydrophobicContact CG2-CB 3.56Å; T274-A287 PolarHBondContact O-N 3.08Å; T274-Y318 VanDerWaalsContact CG2-O 3.27Å; T274-Y318 WeakPolarHBondContact CG2-O 3.48Å; T274-L320 HydrophobicContact CG2-CD1 3.93Å; T274-L320 HydrophobicContact CG2-CG 3.82Å
275V93.8Very high86.2Confident5 Ų537.3 Ų37.33%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-139.1141.6179.7-74.50000109.6L284 A285 A286 S555 A564 C566 V574V275-L284 HydrophobicContact CB-CD1 4.33Å; V275-A285 CarbonylContact C-O 3.59Å; V275-A285 VanDerWaalsContact CA-O 3.27Å; V275-A285 WeakPolarHBondContact CA-O 3.33Å; V275-A286 HydrophobicContact CG1-CB 3.8Å; V275-S555 WeakPolarHBondContact O-CB 3.44Å; V275-A564 HydrophobicContact CG2-CB 4.28Å; V275-C566 HydrophobicContact CG1-CB 3.87Å; V275-C566 HydrophobicContact CG2-CB 4.35Å; V275-V574 HydrophobicContact CG1-CG1 3.93Å; V275-V574 HydrophobicContact CG1-CG2 4.16Å
276L94.5Very high86.7Confident52 Ų5236.7 Ų36.727%0.27218%0.181SC..EExtended strand (participates in β ladder)trans-148.5119.6-179.6-173.862.5000112.5A285 L320 W322L276-A285 PolarHBondContact N-O 2.82Å; L276-A285 PolarHBondContact O-N 2.84Å; L276-L320 HydrophobicContact CB-CB 4.3Å; L276-L320 HydrophobicContact CD2-CB 4.37Å; L276-L320 VanDerWaalsContact CD2-O 3.25Å; L276-L320 WeakPolarHBondContact CD2-O 3.01Å; L276-W322 PolarHBondContact O-NE1 2.93Å
277F93.9Very high87.5Confident8 Ų825.9 Ų25.94%0.03514%0.14CC..EExtended strand (participates in β ladder)trans-66.3144.6168-72.9-74.2000111.3R283 L284 I301 S555 H557 M562 A564 V576F277-R283 WeakPolarHBondContact CA-O 3.06Å; F277-L284 HydrophobicContact CD1-CB 4.05Å; F277-L284 HydrophobicContact CD1-CD1 3.83Å; F277-L284 HydrophobicContact CD1-CG 4.47Å; F277-L284 HydrophobicContact CD2-CD1 4.15Å; F277-L284 HydrophobicContact CE1-CB 4.13Å; F277-L284 HydrophobicContact CE1-CD1 3.96Å; F277-L284 HydrophobicContact CE1-CD2 4.42Å; F277-L284 HydrophobicContact CE1-CG 4.4Å; F277-L284 HydrophobicContact CE2-CD1 4.27Å; F277-L284 HydrophobicContact CG-CD1 3.93Å; F277-L284 HydrophobicContact CZ-CD1 4.18Å; F277-I301 HydrophobicContact CE1-CD1 4.44Å; F277-I301 HydrophobicContact CE1-CG1 4.12Å; F277-I301 HydrophobicContact CE1-CG2 4.42Å; F277-S555 WeakPolarHBondContact CE2-O 3.39Å; F277-S555 PolarHBondContact N-OG 3.09Å; F277-H557 HydrophobicContact CD1-CB 4.47Å; F277-H557 AromaticContact CD1-CD2 3.68Å; F277-H557 HydrophobicContact CD2-CB 4.14Å; F277-H557 HydrophobicContact CE1-CB 4.41Å; F277-H557 AromaticContact CE1-CD2 3.86Å; F277-H557 HydrophobicContact CE2-CB 4.08Å; F277-H557 HydrophobicContact CG-CB 4.33Å; F277-H557 HydrophobicContact CZ-CB 4.22Å; F277-M562 HydrophobicContact CE1-SD 3.87Å; F277-M562 HydrophobicContact CZ-CG 4.04Å; F277-M562 HydrophobicContact CZ-SD 3.79Å; F277-A564 HydrophobicContact CE2-CB 3.65Å; F277-A564 HydrophobicContact CZ-CB 3.87Å; F277-V576 HydrophobicContact CZ-CG1 4.37Å
278S92.9Very high88.7Confident0 Ų026 Ų260%014%0.141CC..  trans-71.7161.517289.80000111.1A280 G281 R283 D326 P558S278-A280 VanDerWaalsContact C-N 3.33Å; S278-A280 PolarHBondContact O-N 2.8Å; S278-G281 WeakPolarHBondContact O-CA 3.43Å; S278-G281 PolarHBondContact O-N 2.86Å; S278-G281 PolarHBondContact OG-N 2.92Å; S278-R283 PolarHBondContact N-O 2.87Å; S278-R283 PolarHBondContact OG-N 3.01Å; S278-D326 WeakPolarHBondContact CB-OD1 3.5Å; S278-D326 WeakPolarHBondContact CB-OD2 3.44Å; S278-D326 PolarHBondContact OG-OD2 2.04Å; S278-P558 WeakPolarHBondContact O-CG 3.34Å
279H88.3Confident89.2Confident102 Ų10224.3 Ų24.347%0.47212%0.124SC..THydrogen-bonded Turntrans-65.1-33.6-173.3-64.7-72.6000113.2G281 S323 D326 H559H279-G281 VanDerWaalsContact C-N 3.32Å; H279-S323 PolarHBondContact CD2-O 2.94Å; H279-D326 WeakPolarHBondContact CB-OD1 3.38Å; H279-D326 IonicContact CD2-OD1 2.82Å; H279-D326 PolarHBondContact CD2-OD1 2.89Å; H279-D326 IonicContact CG-OD1 2.86Å; H279-D326 VanDerWaalsContact N-CG 3.34Å; H279-D326 PolarHBondContact N-OD1 2.93Å; H279-D326 PolarHBondContact N-OD2 3.27Å; H279-D326 VanDerWaalsContact N-OD2 3.09Å; H279-H559 PolarHBondContact O-NE2 2.98Å
280A85.7Confident89.4Confident43 Ų4321 Ų2136%0.35511%0.111SC..THydrogen-bonded Turntrans-83.2-5.2171.200000113.7W247 S278 T282 D326 H559W247-A280 PolarHBondContact NE1-O 2.75Å; S278-A280 VanDerWaalsContact C-N 3.33Å; S278-A280 PolarHBondContact O-N 2.8Å; A280-T282 PolarHBondContact O-N 2.87Å; A280-D326 VanDerWaalsContact CB-OD2 3.3Å; A280-D326 WeakPolarHBondContact CB-OD2 3.34Å; A280-D326 PolarHBondContact N-OD2 2.84Å; A280-H559 PolarHBondContact O-CD2 2.89Å
281G85.1Confident89Confident0 Ų027.6 Ų27.60%013%0.134CC..SBendtrans77.2-13176.100000116.4S278 H279 R283 H557S278-G281 WeakPolarHBondContact O-CA 3.43Å; S278-G281 PolarHBondContact O-N 2.86Å; S278-G281 PolarHBondContact OG-N 2.92Å; H279-G281 VanDerWaalsContact C-N 3.32Å; G281-R283 PolarHBondContact O-N 2.64Å; G281-R283 VanDerWaalsContact O-N 3.12Å; G281-H557 WeakPolarHBondContact CA-NE2 3.39Å; G281-H557 PolarHBondContact O-CD2 2.86Å; G281-H557 PolarHBondContact O-NE2 2.8Å; G281-H557 VanDerWaalsContact O-NE2 3.08Å
282T88.3Confident88.7Confident51 Ų5134.5 Ų34.531%0.31317%0.17SC..SBendtrans-68.3-11.3-176.254.80000114.3W247 A280 I301W247-T282 HydrophobicContact CZ2-CG2 4.19Å; A280-T282 PolarHBondContact O-N 2.87Å; T282-I301 PolarHBondContact O-N 2.66Å
283R91.3Very high88.3Confident55 Ų5536.6 Ų36.621%0.20819%0.187CC..EExtended strand (participates in β ladder)trans-132.3147.6-179.5-63171.5174.9164.9-5.7111.6F277 S278 G281 V298 Y299 L307 W322 D326F277-R283 WeakPolarHBondContact CA-O 3.06Å; S278-R283 PolarHBondContact N-O 2.87Å; S278-R283 PolarHBondContact OG-N 3.01Å; G281-R283 PolarHBondContact O-N 2.64Å; G281-R283 VanDerWaalsContact O-N 3.12Å; R283-V298 HydrophobicContact CB-CG1 4.1Å; R283-V298 HydrophobicContact CG-CG1 4.35Å; R283-Y299 CarbonylContact C-O 3.59Å; R283-Y299 VanDerWaalsContact CA-O 3.3Å; R283-Y299 WeakPolarHBondContact CA-O 3.35Å; R283-L307 HydrophobicContact CG-CD1 4.08Å; R283-W322 HydrophobicContact CB-CH2 3.81Å; R283-W322 HydrophobicContact CB-CZ2 3.94Å; R283-W322 HydrophobicContact CG-CH2 4.49Å; R283-D326 PolarHBondContact NH1-O 2.83Å
284L93.1Very high88.3Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-125.5118.8170.2175.668.6000108.9F265 V275 F277 V298 Y299 I301 A564 V576F265-L284 HydrophobicContact CD2-CD2 4.18Å; F265-L284 HydrophobicContact CE2-CD2 3.73Å; V275-L284 HydrophobicContact CB-CD1 4.33Å; F277-L284 HydrophobicContact CD1-CB 4.05Å; F277-L284 HydrophobicContact CD1-CD1 3.83Å; F277-L284 HydrophobicContact CD1-CG 4.47Å; F277-L284 HydrophobicContact CD2-CD1 4.15Å; F277-L284 HydrophobicContact CE1-CB 4.13Å; F277-L284 HydrophobicContact CE1-CD1 3.96Å; F277-L284 HydrophobicContact CE1-CD2 4.42Å; F277-L284 HydrophobicContact CE1-CG 4.4Å; F277-L284 HydrophobicContact CE2-CD1 4.27Å; F277-L284 HydrophobicContact CG-CD1 3.93Å; F277-L284 HydrophobicContact CZ-CD1 4.18Å; L284-V298 WeakPolarHBondContact O-CA 3.46Å; L284-Y299 PolarHBondContact N-O 2.8Å; L284-Y299 PolarHBondContact O-N 2.87Å; L284-I301 HydrophobicContact CB-CD1 3.98Å; L284-I301 HydrophobicContact CB-CG1 3.82Å; L284-I301 HydrophobicContact CD2-CD1 4.4Å; L284-A564 HydrophobicContact CD1-CB 4.11Å; L284-A564 HydrophobicContact CD2-CB 4.17Å; L284-V576 HydrophobicContact CD2-CG2 4.04Å
285A93.4Very high88.3Confident0 Ų037.8 Ų37.80%019%0.194CC..EExtended strand (participates in β ladder)trans-88.3142.2169.800000110.5V275 L276 V297 V298 L320 W322 L329V275-A285 CarbonylContact C-O 3.59Å; V275-A285 VanDerWaalsContact CA-O 3.27Å; V275-A285 WeakPolarHBondContact CA-O 3.33Å; L276-A285 PolarHBondContact N-O 2.82Å; L276-A285 PolarHBondContact O-N 2.84Å; A285-V297 CarbonylContact C-O 3.53Å; A285-V298 HydrophobicContact CB-CG2 4.32Å; A285-L320 HydrophobicContact CB-CD1 3.96Å; A285-W322 HydrophobicContact CB-CZ2 3.7Å; A285-L329 HydrophobicContact CB-CD1 4.07Å; A285-L329 HydrophobicContact CB-CD2 3.63Å
286A92.6Very high88.3Confident0 Ų037.5 Ų37.50%019%0.193CC..EExtended strand (participates in β ladder)trans-135125.2174.100000110.8V275 C288 V296 V297 Y299 V574V275-A286 HydrophobicContact CG1-CB 3.8Å; A286-C288 PolarHBondContact O-N 3.28Å; A286-V296 WeakPolarHBondContact O-CA 3.47Å; A286-V297 PolarHBondContact N-O 3.2Å; A286-V297 PolarHBondContact O-N 2.68Å; A286-Y299 HydrophobicContact CB-CE2 3.94Å; A286-V574 HydrophobicContact CB-CG2 4.38Å
287A92.3Very high88.1Confident3 Ų335.8 Ų35.83%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-80.892.4172.300000109.3C272 F273 T274 V317 L320C272-A287 CarbonylContact C-O 3.25Å; C272-A287 WeakPolarHBondContact CA-O 3.5Å; C272-A287 WeakPolarHBondContact CB-O 3.15Å; F273-A287 PolarHBondContact N-O 2.87Å; T274-A287 HydrophobicContact CG2-CB 3.56Å; T274-A287 PolarHBondContact O-N 3.08Å; A287-V317 HydrophobicContact CB-CB 3.94Å; A287-V317 HydrophobicContact CB-CG1 3.77Å; A287-L320 HydrophobicContact CB-CD1 4.19Å; A287-L320 HydrophobicContact CB-CG 4.5Å
288C90Very high88.1Confident5 Ų535.4 Ų35.43%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-83.8152.8-178.4-580000111.1C272 A286 F294 P295 V297C272-C288 PolarHBondContact SG-SG 3.48Å; A286-C288 PolarHBondContact O-N 3.28Å; C288-F294 CarbonylContact O-C 3.52Å; C288-F294 WeakPolarHBondContact O-CA 3.24Å; C288-P295 HydrophobicContact CB-CG 4.21Å; C288-P295 WeakPolarHBondContact CB-O 3.38Å; C288-P295 PolarHBondContact N-O 3.26Å; C288-P295 WeakPolarHBondContact O-CD 3.32Å; C288-V297 HydrophobicContact CB-CG2 4.33Å
289A85.4Confident88Confident1 Ų135.9 Ų35.91%0.00818%0.184CC..  trans-121126.2172.400000110.7K269 M270 G271 F273 F294 F568K269-A289 PolarHBondContact N-O 2.83Å; M270-A289 WeakPolarHBondContact CA-O 3.32Å; M270-A289 HydrophobicContact CB-CB 3.77Å; M270-A289 WeakPolarHBondContact CB-O 3.22Å; M270-A289 PolarHBondContact N-O 2.95Å; G271-A289 PolarHBondContact O-N 2.95Å; F273-A289 HydrophobicContact CE2-CB 4.36Å; A289-F294 HydrophobicContact CB-CD1 3.73Å; A289-F294 HydrophobicContact CB-CE1 3.68Å; A289-F568 HydrophobicContact CB-CD2 4.2Å; A289-F568 HydrophobicContact CB-CE2 3.79Å
290D83Confident88Confident40 Ų4034.8 Ų34.821%0.21418%0.18CC..  trans-102.1-177158-148.5-48000108.8K269 A293K269-D290 WeakPolarHBondContact CD-OD1 3.4Å; K269-D290 WeakPolarHBondContact CE-OD1 3.49Å; K269-D290 WeakPolarHBondContact CG-OD1 3.17Å; K269-D290 IonicContact NZ-OD1 2.7Å; K269-D290 PolarHBondContact NZ-OD1 3.13Å; K269-D290 IonicContact NZ-OD2 3.37Å; K269-D290 PolarHBondContact NZ-OD2 3.47Å; D290-A293 PolarHBondContact N-O 2.84Å
291R72.2Confident88Confident186 Ų18632.8 Ų32.870%0.70216%0.163SC*.SBendtrans-65.3-39.7180-71-173.9172-159.8-2.9112.9
292D77.3Confident87.7Confident145 Ų14535.9 Ų35.978%0.77518%0.183SC*.SBendtrans-123.72.2-166.6-45.2-72.3000112.8
293A81.8Confident87.4Confident43 Ų4336.3 Ų36.336%0.35519%0.188SC..  trans-153.6148.9-177.900000111.7D290 P295D290-A293 PolarHBondContact N-O 2.84Å; A293-P295 VanDerWaalsContact C-CD 3.49Å; A293-P295 WeakPolarHBondContact O-CD 3.23Å
294F89.1Confident86.8Confident33 Ų3334.7 Ų34.715%0.14519%0.189CC..  trans-122.774.1-177.5-65-92.2000111.2C288 A289 H313 K315 I316C288-F294 CarbonylContact O-C 3.52Å; C288-F294 WeakPolarHBondContact O-CA 3.24Å; A289-F294 HydrophobicContact CB-CD1 3.73Å; A289-F294 HydrophobicContact CB-CE1 3.68Å; F294-H313 HydrophobicContact CB-CB 4.38Å; F294-H313 PolarHBondContact N-O 2.67Å; F294-K315 WeakPolarHBondContact CB-O 3.48Å; F294-K315 WeakPolarHBondContact CG-O 3.44Å; F294-I316 HydrophobicContact CD1-CG1 4.21Å; F294-I316 HydrophobicContact CE1-CB 4.35Å; F294-I316 HydrophobicContact CE1-CG1 3.59Å; F294-I316 HydrophobicContact CZ-CG1 4.06Å
295P91.3Very high86.5Confident21 Ų2137.8 Ų37.814%0.13621%0.207CC..  trans-77.1141.4-175.131.1-34.8000112.6C288 A293 F310 N311C288-P295 HydrophobicContact CB-CG 4.21Å; C288-P295 WeakPolarHBondContact CB-O 3.38Å; C288-P295 PolarHBondContact N-O 3.26Å; C288-P295 WeakPolarHBondContact O-CD 3.32Å; A293-P295 VanDerWaalsContact C-CD 3.49Å; A293-P295 WeakPolarHBondContact O-CD 3.23Å; P295-F310 VanDerWaalsContact CA-O 3.3Å; P295-F310 WeakPolarHBondContact CA-O 3.44Å; P295-N311 WeakPolarHBondContact CB-OD1 3.24Å
296V92.6Very high86.2Confident0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-95109.5171.4-176.80000108.4A286 F310 V317 L320 L329A286-V296 WeakPolarHBondContact O-CA 3.47Å; V296-F310 HydrophobicContact CB-CB 4.32Å; V296-F310 HydrophobicContact CB-CD2 4.49Å; V296-F310 PolarHBondContact N-O 3.17Å; V296-F310 WeakPolarHBondContact O-CB 3.36Å; V296-F310 WeakPolarHBondContact O-CD2 3.17Å; V296-F310 PolarHBondContact O-N 2.99Å; V296-V317 HydrophobicContact CG2-CG1 4.44Å; V296-V317 HydrophobicContact CG2-CG2 4.2Å; V296-L320 HydrophobicContact CG1-CD2 3.81Å; V296-L320 HydrophobicContact CG2-CD2 4.24Å; V296-L329 HydrophobicContact CG1-CD2 3.67Å
297V91.4Very high85.9Confident15 Ų1544.3 Ų44.39%0.09125%0.245CC..EExtended strand (participates in β ladder)trans-97.9131.5-176.4-174.60000109.6A285 A286 C288 Y299 V306 A308 A309A285-V297 CarbonylContact C-O 3.53Å; A286-V297 PolarHBondContact N-O 3.2Å; A286-V297 PolarHBondContact O-N 2.68Å; C288-V297 HydrophobicContact CB-CG2 4.33Å; V297-Y299 HydrophobicContact CB-CE2 4.01Å; V297-Y299 HydrophobicContact CG1-CD2 4.35Å; V297-Y299 HydrophobicContact CG1-CE1 4.04Å; V297-Y299 HydrophobicContact CG1-CE2 3.72Å; V297-V306 HydrophobicContact CG1-CG1 3.85Å; V297-V306 HydrophobicContact CG1-CG2 4.3Å; V297-A308 WeakPolarHBondContact CA-O 3.47Å; V297-A309 HydrophobicContact CG2-CB 4.14Å
298V92.3Very high85.6Confident0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-107.9124.4175.2179.20000109.8R283 L284 A285 L307 A308 F310 W322 L329 V343R283-V298 HydrophobicContact CB-CG1 4.1Å; R283-V298 HydrophobicContact CG-CG1 4.35Å; L284-V298 WeakPolarHBondContact O-CA 3.46Å; A285-V298 HydrophobicContact CB-CG2 4.32Å; V298-L307 HydrophobicContact CG1-CD1 4.31Å; V298-L307 PolarHBondContact O-N 3.11Å; V298-A308 PolarHBondContact N-O 3.28Å; V298-A308 PolarHBondContact O-N 2.8Å; V298-F310 HydrophobicContact CG2-CD2 4.26Å; V298-F310 HydrophobicContact CG2-CE2 3.67Å; V298-W322 HydrophobicContact CG1-CH2 3.96Å; V298-W322 HydrophobicContact CG1-CZ2 4.45Å; V298-W322 HydrophobicContact CG2-CH2 4.22Å; V298-L329 HydrophobicContact CG2-CD2 4.02Å; V298-V343 HydrophobicContact CG1-CG1 4.08Å; V298-V343 HydrophobicContact CG2-CG1 4.36Å
299Y90.9Very high85.5Confident10 Ų1046.3 Ų46.34%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-102.9144.7175.5-56-89.9000110.7F265 R283 L284 A286 V297 T305 V306F265-Y299 HydrophobicContact CB-CD1 4.28Å; F265-Y299 HydrophobicContact CB-CE1 3.63Å; F265-Y299 HydrophobicContact CB-CE2 4.16Å; F265-Y299 AromaticContact CD1-CD1 3.56Å; F265-Y299 HydrophobicContact CD1-CD1 3.56Å; F265-Y299 AromaticContact CD1-CE1 3.69Å; F265-Y299 HydrophobicContact CD1-CE1 3.69Å; F265-Y299 HydrophobicContact CD1-CG 4.19Å; F265-Y299 HydrophobicContact CD2-CD1 4.28Å; F265-Y299 HydrophobicContact CD2-CD2 4.18Å; F265-Y299 HydrophobicContact CD2-CE1 4.42Å; F265-Y299 HydrophobicContact CD2-CE2 4.33Å; F265-Y299 HydrophobicContact CD2-CG 4.16Å; F265-Y299 AromaticContact CE1-CD1 3.89Å; F265-Y299 HydrophobicContact CE1-CD1 3.89Å; F265-Y299 HydrophobicContact CE1-CE1 4.47Å; F265-Y299 HydrophobicContact CE1-CG 4.28Å; F265-Y299 HydrophobicContact CE2-CG 4.24Å; F265-Y299 AromaticContact CG-CD1 3.78Å; F265-Y299 HydrophobicContact CG-CD1 3.78Å; F265-Y299 HydrophobicContact CG-CD2 4.35Å; F265-Y299 AromaticContact CG-CE1 3.66Å; F265-Y299 HydrophobicContact CG-CE1 3.66Å; F265-Y299 HydrophobicContact CG-CE2 4.25Å; F265-Y299 HydrophobicContact CG-CG 4.13Å; F265-Y299 AromaticContact CG-CZ 3.92Å; F265-Y299 HydrophobicContact CZ-CD1 4.36Å; F265-Y299 HydrophobicContact CZ-CG 4.29Å; R283-Y299 CarbonylContact C-O 3.59Å; R283-Y299 VanDerWaalsContact CA-O 3.3Å; R283-Y299 WeakPolarHBondContact CA-O 3.35Å; L284-Y299 PolarHBondContact N-O 2.8Å; L284-Y299 PolarHBondContact O-N 2.87Å; A286-Y299 HydrophobicContact CB-CE2 3.94Å; V297-Y299 HydrophobicContact CB-CE2 4.01Å; V297-Y299 HydrophobicContact CG1-CD2 4.35Å; V297-Y299 HydrophobicContact CG1-CE1 4.04Å; V297-Y299 HydrophobicContact CG1-CE2 3.72Å; Y299-T305 CarbonylContact C-O 3.57Å; Y299-T305 WeakPolarHBondContact CA-O 3.4Å; Y299-V306 HydrophobicContact CD1-CG2 3.81Å; Y299-V306 HydrophobicContact CE1-CG2 3.55Å
300E88.9Confident85.7Confident79 Ų7946.3 Ų46.337%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-82140166.9-172.6-178.5-128.300110.1S303 G304 T305 L307E300-S303 VanDerWaalsContact CB-OG 3.31Å; E300-S303 WeakPolarHBondContact CB-OG 3.39Å; E300-S303 VanDerWaalsContact CD-OG 3.28Å; E300-S303 VanDerWaalsContact CG-OG 3.28Å; E300-S303 WeakPolarHBondContact CG-OG 3.5Å; E300-S303 WeakPolarHBondContact OE2-CB 3.34Å; E300-S303 PolarHBondContact OE2-OG 3.41Å; E300-G304 VanDerWaalsContact O-CA 3.31Å; E300-G304 WeakPolarHBondContact O-CA 3.35Å; E300-G304 PolarHBondContact O-N 2.94Å; E300-T305 VanDerWaalsContact CB-OG1 3.32Å; E300-T305 WeakPolarHBondContact CB-OG1 3.45Å; E300-T305 PolarHBondContact N-O 3.02Å; E300-T305 PolarHBondContact OE2-OG1 3.21Å; E300-T305 VanDerWaalsContact OE2-OG1 3.1Å; E300-L307 HydrophobicContact CB-CD1 3.92Å; E300-L307 HydrophobicContact CB-CD2 4.02Å; E300-L307 HydrophobicContact CB-CG 3.86Å
301I86.6Confident85.9Confident2 Ų248.3 Ų48.31%0.0127%0.273CS..THydrogen-bonded Turntrans-124.7130.6-179.8-55.6-65.9000107.4W247 L263 F265 F277 T282 L284 M562W247-I301 HydrophobicContact CH2-CG2 4.06Å; L263-I301 HydrophobicContact CD1-CD1 4.49Å; F265-I301 HydrophobicContact CE2-CD1 4.26Å; F265-I301 HydrophobicContact CZ-CD1 3.96Å; F277-I301 HydrophobicContact CE1-CD1 4.44Å; F277-I301 HydrophobicContact CE1-CG1 4.12Å; F277-I301 HydrophobicContact CE1-CG2 4.42Å; T282-I301 PolarHBondContact O-N 2.66Å; L284-I301 HydrophobicContact CB-CD1 3.98Å; L284-I301 HydrophobicContact CB-CG1 3.82Å; L284-I301 HydrophobicContact CD2-CD1 4.4Å; I301-M562 HydrophobicContact CG2-CE 3.83Å; I301-M562 HydrophobicContact CG2-SD 3.7Å
302P78.6Confident86.4Confident64 Ų6441 Ų4142%0.41625%0.254SS..THydrogen-bonded Turncis-95.26.412.238.3-36.4000115.4L245 W247 G304L245-P302 HydrophobicContact CD1-CG 4.32Å; W247-P302 HydrophobicContact CZ3-CB 4.41Å; W247-P302 HydrophobicContact CZ3-CG 4.36Å; P302-G304 VanDerWaalsContact C-N 3.33Å; P302-G304 PolarHBondContact O-N 3.49Å
303S81Confident87Confident61 Ų6134.2 Ų34.243%0.42722%0.218SC..THydrogen-bonded Turntrans-68.5-28.1-174.763.80000113.9E300 T305E300-S303 VanDerWaalsContact CB-OG 3.31Å; E300-S303 WeakPolarHBondContact CB-OG 3.39Å; E300-S303 VanDerWaalsContact CD-OG 3.28Å; E300-S303 VanDerWaalsContact CG-OG 3.28Å; E300-S303 WeakPolarHBondContact CG-OG 3.5Å; E300-S303 WeakPolarHBondContact OE2-CB 3.34Å; E300-S303 PolarHBondContact OE2-OG 3.41Å; S303-T305 VanDerWaalsContact C-N 3.28Å; S303-T305 PolarHBondContact O-N 2.82Å; S303-T305 PolarHBondContact OG-OG1 3.36Å
304G79.9Confident87.4Confident21 Ų2138.3 Ų38.322%0.21623%0.233CC..  trans74.712.5-178.200000114.8E300 P302E300-G304 VanDerWaalsContact O-CA 3.31Å; E300-G304 WeakPolarHBondContact O-CA 3.35Å; E300-G304 PolarHBondContact O-N 2.94Å; P302-G304 VanDerWaalsContact C-N 3.33Å; P302-G304 PolarHBondContact O-N 3.49Å
305T85.3Confident87.5Confident64 Ų6441.3 Ų41.339%0.39325%0.246SC..  trans-73.5152.9177.164.30000110.9Y299 E300 S303Y299-T305 CarbonylContact C-O 3.57Å; Y299-T305 WeakPolarHBondContact CA-O 3.4Å; E300-T305 VanDerWaalsContact CB-OG1 3.32Å; E300-T305 WeakPolarHBondContact CB-OG1 3.45Å; E300-T305 PolarHBondContact N-O 3.02Å; E300-T305 PolarHBondContact OE2-OG1 3.21Å; E300-T305 VanDerWaalsContact OE2-OG1 3.1Å; S303-T305 VanDerWaalsContact C-N 3.28Å; S303-T305 PolarHBondContact O-N 2.82Å; S303-T305 PolarHBondContact OG-OG1 3.36Å
306V87.9Confident87.4Confident88 Ų8842.3 Ų42.353%0.53325%0.25SS..EExtended strand (participates in β ladder)trans-84.9122.9168.8176.30000108.2V297 Y299V297-V306 HydrophobicContact CG1-CG1 3.85Å; V297-V306 HydrophobicContact CG1-CG2 4.3Å; Y299-V306 HydrophobicContact CD1-CG2 3.81Å; Y299-V306 HydrophobicContact CE1-CG2 3.55Å
307L86.6Confident87.5Confident49 Ų4942.5 Ų42.526%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-87.8-43.9175.5-66.4176.7000111.8R283 V298 E300 L346R283-L307 HydrophobicContact CG-CD1 4.08Å; V298-L307 HydrophobicContact CG1-CD1 4.31Å; V298-L307 PolarHBondContact O-N 3.11Å; E300-L307 HydrophobicContact CB-CD1 3.92Å; E300-L307 HydrophobicContact CB-CD2 4.02Å; E300-L307 HydrophobicContact CB-CG 3.86Å; L307-L346 HydrophobicContact CB-CD2 4.17Å
308A85.9Confident87.6Confident12 Ų1244 Ų4410%0.09926%0.256CS..EExtended strand (participates in β ladder)trans-154.1155.5178.800000111.4V297 V298 F310 L346V297-A308 WeakPolarHBondContact CA-O 3.47Å; V298-A308 PolarHBondContact N-O 3.28Å; V298-A308 PolarHBondContact O-N 2.8Å; A308-F310 HydrophobicContact CB-CD1 4.48Å; A308-F310 HydrophobicContact CB-CE1 3.9Å; A308-F310 HydrophobicContact CB-CE2 4.31Å; A308-F310 HydrophobicContact CB-CZ 3.8Å; A308-L346 HydrophobicContact CB-CD2 3.94Å
309A87.9Confident87.7Confident38 Ų3844.5 Ų44.531%0.31426%0.258SS..EExtended strand (participates in β ladder)trans-125.5104.4166.200000108.5V297 N311V297-A309 HydrophobicContact CG2-CB 4.14Å; A309-N311 PolarHBondContact O-N 3.26Å
310F89.5Confident87.9Confident1 Ų144.5 Ų44.50%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-79.7109.3-177.7-62-55.7000110.2P295 V296 V298 A308 L329 W341 V343 L347P295-F310 VanDerWaalsContact CA-O 3.3Å; P295-F310 WeakPolarHBondContact CA-O 3.44Å; V296-F310 HydrophobicContact CB-CB 4.32Å; V296-F310 HydrophobicContact CB-CD2 4.49Å; V296-F310 PolarHBondContact N-O 3.17Å; V296-F310 WeakPolarHBondContact O-CB 3.36Å; V296-F310 WeakPolarHBondContact O-CD2 3.17Å; V296-F310 PolarHBondContact O-N 2.99Å; V298-F310 HydrophobicContact CG2-CD2 4.26Å; V298-F310 HydrophobicContact CG2-CE2 3.67Å; A308-F310 HydrophobicContact CB-CD1 4.48Å; A308-F310 HydrophobicContact CB-CE1 3.9Å; A308-F310 HydrophobicContact CB-CE2 4.31Å; A308-F310 HydrophobicContact CB-CZ 3.8Å; F310-L329 HydrophobicContact CE2-CD2 4.49Å; F310-W341 HydrophobicContact CB-CD2 3.6Å; F310-W341 HydrophobicContact CB-CE3 3.55Å; F310-W341 HydrophobicContact CB-CG 4.1Å; F310-W341 HydrophobicContact CB-CH2 4.17Å; F310-W341 HydrophobicContact CB-CZ2 4.24Å; F310-W341 HydrophobicContact CB-CZ3 3.83Å; F310-W341 HydrophobicContact CD1-CB 4.03Å; F310-W341 HydrophobicContact CD1-CD2 4.18Å; F310-W341 AromaticContact CD1-CE3 3.81Å; F310-W341 HydrophobicContact CD1-CE3 3.81Å; F310-W341 HydrophobicContact CD1-CG 4.3Å; F310-W341 HydrophobicContact CD2-CB 3.8Å; F310-W341 HydrophobicContact CD2-CD2 4.34Å; F310-W341 AromaticContact CD2-CG 3.93Å; F310-W341 HydrophobicContact CD2-CG 3.93Å; F310-W341 HydrophobicContact CE1-CB 4.09Å; F310-W341 HydrophobicContact CE2-CB 3.84Å; F310-W341 HydrophobicContact CE2-CG 4.46Å; F310-W341 HydrophobicContact CG-CB 3.9Å; F310-W341 AromaticContact CG-CD2 3.79Å; F310-W341 HydrophobicContact CG-CD2 3.79Å; F310-W341 AromaticContact CG-CE3 3.8Å; F310-W341 HydrophobicContact CG-CE3 3.8Å; F310-W341 AromaticContact CG-CG 3.85Å; F310-W341 HydrophobicContact CG-CG 3.85Å; F310-W341 HydrophobicContact CZ-CB 4Å; F310-V343 HydrophobicContact CE2-CG2 3.93Å; F310-V343 HydrophobicContact CZ-CB 4.39Å; F310-V343 HydrophobicContact CZ-CG1 4.45Å; F310-V343 HydrophobicContact CZ-CG2 3.93Å; F310-L347 VanDerWaalsContact CD1-O 3.28Å; F310-L347 WeakPolarHBondContact CD1-O 3.18Å; F310-L347 WeakPolarHBondContact CE1-O 3.44Å
311N86.4Confident88.1Confident83 Ų8341.4 Ų41.444%0.44425%0.246SC..  trans-98.7132.7-176.9-66-43000109.9P295 A309P295-N311 WeakPolarHBondContact CB-OD1 3.24Å; A309-N311 PolarHBondContact O-N 3.26Å
312G82.5Confident88.4Confident31 Ų3141.5 Ų41.532%0.3225%0.246SC..  trans155.9-21.4168.500000116.1L314 R339G312-L314 PolarHBondContact O-N 3.02Å; G312-R339 PolarHBondContact O-NH1 2.89Å; G312-R339 PolarHBondContact O-NH2 2.95Å
313H90.4Very high89Confident3 Ų338.7 Ų38.71%0.01423%0.228CC..  trans-68130171.5-86.7-57.9000110.8F294 V317 S331 S333 D335 T337 W341F294-H313 HydrophobicContact CB-CB 4.38Å; F294-H313 PolarHBondContact N-O 2.67Å; H313-V317 HydrophobicContact CB-CG2 3.91Å; H313-V317 WeakPolarHBondContact CD2-CG2 3.46Å; H313-S331 PolarHBondContact CD2-OG 2.84Å; H313-S331 VanDerWaalsContact CD2-OG 3.23Å; H313-S331 PolarHBondContact NE2-O 3.29Å; H313-S331 PolarHBondContact NE2-OG 2.85Å; H313-S333 WeakPolarHBondContact CE1-CB 3.2Å; H313-S333 WeakPolarHBondContact ND1-CB 3.26Å; H313-D335 WeakPolarHBondContact CA-OD2 3.08Å; H313-D335 IonicContact CE1-OD1 2.93Å; H313-D335 IonicContact CE1-OD2 3.23Å; H313-D335 IonicContact CG-OD2 3.55Å; H313-D335 IonicContact ND1-OD1 2.87Å; H313-D335 PolarHBondContact ND1-OD1 2.93Å; H313-D335 IonicContact ND1-OD2 2.88Å; H313-D335 PolarHBondContact ND1-OD2 3.03Å; H313-T337 PolarHBondContact CE1-O 3Å; H313-T337 PolarHBondContact CE1-OG1 2.86Å; H313-T337 VanDerWaalsContact CE1-OG1 3.27Å; H313-T337 PolarHBondContact ND1-OG1 2.83Å; H313-W341 AromaticContact CD2-CZ2 3.98Å
314L89.6Confident89.2Confident129 Ų12938.7 Ų38.768%0.67523%0.228SC*.  trans-90.5-11.2-173.7-58.4179.7000112.9G312 D335G312-L314 PolarHBondContact O-N 3.02Å; L314-D335 HydrophobicContact CB-CB 4.07Å; L314-D335 PolarHBondContact N-OD2 3.37Å
315K91.3Very high89.5Confident96 Ų9641 Ų4142%0.41724%0.235SC..SBendtrans-147.6172.7178.6-56.4-172.7-163.8159.20111.1F294 V317 S333 S334 D335F294-K315 WeakPolarHBondContact CB-O 3.48Å; F294-K315 WeakPolarHBondContact CG-O 3.44Å; K315-V317 PolarHBondContact O-N 2.88Å; K315-S333 PolarHBondContact O-OG 3.38Å; K315-S334 WeakPolarHBondContact CB-OG 3.45Å; K315-S334 WeakPolarHBondContact CD-O 3.31Å; K315-D335 HydrophobicContact CB-CB 4.12Å; K315-D335 HydrophobicContact CG-CB 4.18Å
316I90.7Very high89.6Confident43 Ų4338.5 Ų38.522%0.22122%0.22CC..  trans-39.2117.3178.5-59.7168.1000111.6F273 F294 Y318 S333 S334F273-I316 HydrophobicContact CD1-CG2 4.03Å; F273-I316 HydrophobicContact CD2-CB 4.47Å; F273-I316 HydrophobicContact CD2-CG1 4.41Å; F273-I316 HydrophobicContact CD2-CG2 3.58Å; F273-I316 HydrophobicContact CE1-CD1 4.42Å; F273-I316 HydrophobicContact CE1-CG2 4.01Å; F273-I316 HydrophobicContact CE2-CB 4.12Å; F273-I316 HydrophobicContact CE2-CD1 3.94Å; F273-I316 HydrophobicContact CE2-CG1 3.61Å; F273-I316 HydrophobicContact CE2-CG2 3.53Å; F273-I316 HydrophobicContact CG-CG2 3.81Å; F273-I316 HydrophobicContact CZ-CB 4.43Å; F273-I316 HydrophobicContact CZ-CD1 3.6Å; F273-I316 HydrophobicContact CZ-CG1 3.83Å; F273-I316 HydrophobicContact CZ-CG2 3.75Å; F294-I316 HydrophobicContact CD1-CG1 4.21Å; F294-I316 HydrophobicContact CE1-CB 4.35Å; F294-I316 HydrophobicContact CE1-CG1 3.59Å; F294-I316 HydrophobicContact CZ-CG1 4.06Å; I316-Y318 HydrophobicContact CB-CE1 4.45Å; I316-Y318 HydrophobicContact CG2-CD1 3.79Å; I316-Y318 HydrophobicContact CG2-CE1 3.66Å; I316-Y318 HydrophobicContact CG2-CG 4.49Å; I316-S333 WeakPolarHBondContact O-CA 3.36Å; I316-S333 PolarHBondContact O-OG 3.46Å; I316-S333 VanDerWaalsContact O-OG 3.14Å; I316-S334 PolarHBondContact N-OG 3.09Å; I316-S334 PolarHBondContact O-N 2.81Å; I316-S334 PolarHBondContact O-OG 2.87Å
317V94.3Very high89.6Confident3 Ų339.7 Ų39.72%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-78.5122.1163.6171.70000107.7A287 V296 H313 K315 L320 A332A287-V317 HydrophobicContact CB-CB 3.94Å; A287-V317 HydrophobicContact CB-CG1 3.77Å; V296-V317 HydrophobicContact CG2-CG1 4.44Å; V296-V317 HydrophobicContact CG2-CG2 4.2Å; H313-V317 HydrophobicContact CB-CG2 3.91Å; H313-V317 WeakPolarHBondContact CD2-CG2 3.46Å; K315-V317 PolarHBondContact O-N 2.88Å; V317-L320 HydrophobicContact CG1-CD2 4.09Å; V317-A332 CarbonylContact C-O 3.59Å; V317-A332 WeakPolarHBondContact CA-O 3.47Å
318Y92.7Very high89.8Confident47 Ų4738.2 Ų38.218%0.18421%0.208CC..EExtended strand (participates in β ladder)trans-89.6-40.6-180-68.8-57.7000112.7T274 I316 A332 Y361 Y509T274-Y318 VanDerWaalsContact CG2-O 3.27Å; T274-Y318 WeakPolarHBondContact CG2-O 3.48Å; I316-Y318 HydrophobicContact CB-CE1 4.45Å; I316-Y318 HydrophobicContact CG2-CD1 3.79Å; I316-Y318 HydrophobicContact CG2-CE1 3.66Å; I316-Y318 HydrophobicContact CG2-CG 4.49Å; Y318-A332 PolarHBondContact N-O 3.3Å; Y318-Y361 AromaticContact CD2-CD1 3.54Å; Y318-Y361 HydrophobicContact CD2-CD1 3.54Å; Y318-Y361 AromaticContact CD2-CE1 3.99Å; Y318-Y361 HydrophobicContact CD2-CE1 3.99Å; Y318-Y361 HydrophobicContact CE1-CE1 4.49Å; Y318-Y361 AromaticContact CE2-CD1 3.53Å; Y318-Y361 HydrophobicContact CE2-CD1 3.53Å; Y318-Y361 AromaticContact CE2-CE1 3.46Å; Y318-Y361 HydrophobicContact CE2-CE1 3.46Å; Y318-Y361 VanDerWaalsContact CE2-CE1 3.46Å; Y318-Y361 HydrophobicContact CG-CD1 4.11Å; Y318-Y361 AromaticContact CZ-CE1 3.77Å; Y318-Y509 PolarHBondContact O-OH 2.89Å
319D93.8Very high90.2Very high10 Ų1037.6 Ų37.65%0.05320%0.203CC..EExtended strand (participates in β ladder)trans-136.8149.1-164.4-152.240.7000111.2S331 A332 Y361 C362 A363 Y509D319-S331 WeakPolarHBondContact O-CA 3.44Å; D319-A332 HydrophobicContact CB-CB 4.18Å; D319-A332 PolarHBondContact O-N 3.06Å; D319-Y361 WeakPolarHBondContact CB-O 3.4Å; D319-C362 WeakPolarHBondContact OD2-CA 3.42Å; D319-C362 WeakPolarHBondContact OD2-CB 3.17Å; D319-A363 PolarHBondContact OD2-N 3.17Å; D319-A363 VanDerWaalsContact OD2-N 3.12Å; D319-Y509 WeakPolarHBondContact OD1-CE1 3.48Å; D319-Y509 PolarHBondContact OD1-OH 2.8Å
320L95.2Very high90.5Very high10 Ų1035.9 Ų35.95%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-132.3143.7179.9-67.5174.5000109.5T274 L276 A285 A287 V296 V317 L329 L330T274-L320 HydrophobicContact CG2-CD1 3.93Å; T274-L320 HydrophobicContact CG2-CG 3.82Å; L276-L320 HydrophobicContact CB-CB 4.3Å; L276-L320 HydrophobicContact CD2-CB 4.37Å; L276-L320 VanDerWaalsContact CD2-O 3.25Å; L276-L320 WeakPolarHBondContact CD2-O 3.01Å; A285-L320 HydrophobicContact CB-CD1 3.96Å; A287-L320 HydrophobicContact CB-CD1 4.19Å; A287-L320 HydrophobicContact CB-CG 4.5Å; V296-L320 HydrophobicContact CG1-CD2 3.81Å; V296-L320 HydrophobicContact CG2-CD2 4.24Å; V317-L320 HydrophobicContact CG1-CD2 4.09Å; L320-L329 HydrophobicContact CB-CD1 4.4Å; L320-L329 HydrophobicContact CD2-CD1 4.46Å; L320-L330 WeakPolarHBondContact CA-O 3.09Å
321C94.4Very high90.7Very high15 Ų1535.8 Ų35.810%0.10119%0.188CC..EExtended strand (participates in β ladder)trans-147.1125.5174.4-176.90000111.3L330 A363C321-L330 HydrophobicContact CB-CB 4.34Å; C321-L330 PolarHBondContact N-O 2.9Å; C321-L330 PolarHBondContact O-N 3.18Å; C321-A363 WeakPolarHBondContact CB-O 3.33Å
322W93.3Very high91.2Very high3 Ų331.9 Ų31.91%0.01117%0.167CC..EExtended strand (participates in β ladder)trans-78.7148.3174.2-70.9100000111.3L276 R283 A285 V298 L329 V343 Y365L276-W322 PolarHBondContact O-NE1 2.93Å; R283-W322 HydrophobicContact CB-CH2 3.81Å; R283-W322 HydrophobicContact CB-CZ2 3.94Å; R283-W322 HydrophobicContact CG-CH2 4.49Å; A285-W322 HydrophobicContact CB-CZ2 3.7Å; V298-W322 HydrophobicContact CG1-CH2 3.96Å; V298-W322 HydrophobicContact CG1-CZ2 4.45Å; V298-W322 HydrophobicContact CG2-CH2 4.22Å; W322-L329 HydrophobicContact CD2-CD1 3.92Å; W322-L329 HydrophobicContact CE3-CB 4.23Å; W322-L329 HydrophobicContact CE3-CD1 4.32Å; W322-L329 HydrophobicContact CG-CD1 4.2Å; W322-L329 HydrophobicContact CZ2-CD1 4.45Å; W322-L329 HydrophobicContact CZ3-CB 4.27Å; W322-V343 HydrophobicContact CH2-CG1 4.11Å; W322-V343 HydrophobicContact CH2-CG2 4.28Å; W322-V343 HydrophobicContact CZ3-CB 4.13Å; W322-V343 HydrophobicContact CZ3-CG1 4.07Å; W322-V343 HydrophobicContact CZ3-CG2 3.76Å; W322-Y365 WeakPolarHBondContact O-CD2 3.45Å
323S90.8Very high91.8Very high6 Ų630.4 Ų30.44%0.04215%0.152CC..  trans-66.6152.7164.164.30000110.2H279 D325 D326 R327 V328H279-S323 PolarHBondContact CD2-O 2.94Å; S323-D325 WeakPolarHBondContact CB-OD1 2.98Å; S323-D325 PolarHBondContact O-N 2.85Å; S323-D325 PolarHBondContact OG-OD1 2.85Å; S323-D326 PolarHBondContact O-N 2.9Å; S323-R327 PolarHBondContact OG-N 3.34Å; S323-V328 PolarHBondContact N-O 2.82Å; S323-V328 PolarHBondContact OG-N 3.03Å; S323-V328 VanDerWaalsContact OG-N 3.07Å; S323-V328 PolarHBondContact OG-O 3.38Å
324S85.7Confident91.9Very high60 Ų6030.5 Ų30.542%0.4215%0.153SC..THydrogen-bonded Turntrans-57.9-10-179.159.40000115.6Q370S324-Q370 PolarHBondContact OG-NE2 3.06Å
325D84.6Confident92Very high69 Ų6926 Ų2637%0.36913%0.129SC..THydrogen-bonded Turntrans-118.711.3-179.571.8-21.2000113.5S323 R327S323-D325 WeakPolarHBondContact CB-OD1 2.98Å; S323-D325 PolarHBondContact O-N 2.85Å; S323-D325 PolarHBondContact OG-OD1 2.85Å; D325-R327 PolarHBondContact O-N 2.81Å; D325-R327 PolarHBondContact OD1-N 3.36Å; D325-R327 WeakPolarHBondContact OD2-CD 3.28Å; D325-R327 WeakPolarHBondContact OD2-CG 3.28Å; D325-R327 IonicContact OD2-NE 3.74Å; D325-R327 PolarHBondContact OD2-NE 3.38Å
326D87.8Confident92Very high13 Ų1321.9 Ų21.97%0.0711%0.114CC..SBendtrans56.78.1178.9-71.4-10000116.4S278 H279 A280 R283 S323S278-D326 WeakPolarHBondContact CB-OD1 3.5Å; S278-D326 WeakPolarHBondContact CB-OD2 3.44Å; S278-D326 PolarHBondContact OG-OD2 2.04Å; H279-D326 WeakPolarHBondContact CB-OD1 3.38Å; H279-D326 IonicContact CD2-OD1 2.82Å; H279-D326 PolarHBondContact CD2-OD1 2.89Å; H279-D326 IonicContact CG-OD1 2.86Å; H279-D326 VanDerWaalsContact N-CG 3.34Å; H279-D326 PolarHBondContact N-OD1 2.93Å; H279-D326 PolarHBondContact N-OD2 3.27Å; H279-D326 VanDerWaalsContact N-OD2 3.09Å; A280-D326 VanDerWaalsContact CB-OD2 3.3Å; A280-D326 WeakPolarHBondContact CB-OD2 3.34Å; A280-D326 PolarHBondContact N-OD2 2.84Å; R283-D326 PolarHBondContact NH1-O 2.83Å; S323-D326 PolarHBondContact O-N 2.9Å
327R88.5Confident92.2Very high113 Ų11320.9 Ų20.943%0.42611%0.11SC..SBendtrans-72.7-30.3177.2-68.6-176.5-159.3-95.6-6.9113.1S323 D325 V343 E344S323-R327 PolarHBondContact OG-N 3.34Å; D325-R327 PolarHBondContact O-N 2.81Å; D325-R327 PolarHBondContact OD1-N 3.36Å; D325-R327 WeakPolarHBondContact OD2-CD 3.28Å; D325-R327 WeakPolarHBondContact OD2-CG 3.28Å; D325-R327 IonicContact OD2-NE 3.74Å; D325-R327 PolarHBondContact OD2-NE 3.38Å; R327-V343 WeakPolarHBondContact O-CA 3.47Å; R327-V343 WeakPolarHBondContact O-CB 3.35Å; R327-V343 PolarHBondContact O-N 2.93Å; R327-E344 HydrophobicContact CB-CB 4.44Å; R327-E344 WeakPolarHBondContact CD-OE2 3.03Å; R327-E344 HydrophobicContact CG-CB 4.48Å; R327-E344 IonicContact CZ-OE1 3.34Å; R327-E344 IonicContact CZ-OE2 3.66Å; R327-E344 IonicContact NE-OE2 3.93Å; R327-E344 IonicContact NH1-OE1 2.85Å; R327-E344 PolarHBondContact NH1-OE1 3.04Å; R327-E344 IonicContact NH1-OE2 3.8Å; R327-E344 PolarHBondContact NH1-OE2 3.29Å; R327-E344 PolarHBondContact O-N 3.2Å
328V90.9Very high92.2Very high17 Ų1720.7 Ų20.710%0.10311%0.109CC..EExtended strand (participates in β ladder)trans-134.1146.4-165.1-169.50000110.2S323 E340 W341 Y365S323-V328 PolarHBondContact N-O 2.82Å; S323-V328 PolarHBondContact OG-N 3.03Å; S323-V328 VanDerWaalsContact OG-N 3.07Å; S323-V328 PolarHBondContact OG-O 3.38Å; V328-E340 HydrophobicContact CG1-CG 3.18Å; V328-W341 WeakPolarHBondContact CA-O 3.45Å; V328-W341 WeakPolarHBondContact CG1-O 3.29Å; V328-Y365 VanDerWaalsContact CG1-OH 3.23Å; V328-Y365 WeakPolarHBondContact CG1-OH 3.46Å
329L93.6Very high92.3Very high0 Ų020.3 Ų20.30%011%0.107CC..EExtended strand (participates in β ladder)trans-128.4128.7-179.3177.366.1000109.9A285 V296 V298 F310 L320 W322 W341 V343A285-L329 HydrophobicContact CB-CD1 4.07Å; A285-L329 HydrophobicContact CB-CD2 3.63Å; V296-L329 HydrophobicContact CG1-CD2 3.67Å; V298-L329 HydrophobicContact CG2-CD2 4.02Å; F310-L329 HydrophobicContact CE2-CD2 4.49Å; L320-L329 HydrophobicContact CB-CD1 4.4Å; L320-L329 HydrophobicContact CD2-CD1 4.46Å; W322-L329 HydrophobicContact CD2-CD1 3.92Å; W322-L329 HydrophobicContact CE3-CB 4.23Å; W322-L329 HydrophobicContact CE3-CD1 4.32Å; W322-L329 HydrophobicContact CG-CD1 4.2Å; W322-L329 HydrophobicContact CZ2-CD1 4.45Å; W322-L329 HydrophobicContact CZ3-CB 4.27Å; L329-W341 PolarHBondContact N-O 2.9Å; L329-W341 PolarHBondContact O-N 2.8Å; L329-V343 HydrophobicContact CB-CG2 3.78Å
330L94.3Very high92.3Very high1 Ų120.4 Ų20.41%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-90.8145.5167-67.9167.1000110.9L320 C321 V338 R339 E340 Y365 V373L320-L330 WeakPolarHBondContact CA-O 3.09Å; C321-L330 HydrophobicContact CB-CB 4.34Å; C321-L330 PolarHBondContact N-O 2.9Å; C321-L330 PolarHBondContact O-N 3.18Å; L330-V338 HydrophobicContact CD2-CG1 4.17Å; L330-R339 CarbonylContact C-O 3.56Å; L330-R339 VanDerWaalsContact CA-O 3.28Å; L330-R339 WeakPolarHBondContact CA-O 3.34Å; L330-E340 HydrophobicContact CD2-CB 4.11Å; L330-E340 HydrophobicContact CD2-CG 4.44Å; L330-Y365 HydrophobicContact CB-CE2 4.43Å; L330-Y365 HydrophobicContact CD1-CD1 4.2Å; L330-Y365 HydrophobicContact CD1-CD2 3.53Å; L330-Y365 HydrophobicContact CD1-CE1 4.07Å; L330-Y365 HydrophobicContact CD1-CE2 3.38Å; L330-Y365 HydrophobicContact CD1-CG 3.95Å; L330-Y365 HydrophobicContact CD2-CE2 4.46Å; L330-Y365 HydrophobicContact CG-CD2 4.11Å; L330-Y365 HydrophobicContact CG-CE1 4.44Å; L330-Y365 HydrophobicContact CG-CE2 3.45Å; L330-Y365 VanDerWaalsContact CG-CE2 3.45Å; L330-V373 HydrophobicContact CD1-CB 4.36Å; L330-V373 HydrophobicContact CD1-CG1 3.62Å; L330-V373 HydrophobicContact CD1-CG2 3.72Å; L330-V373 HydrophobicContact CD2-CG2 4.41Å
331S94.9Very high92.1Very high0 Ų019.9 Ų19.90%011%0.105CC..EExtended strand (participates in β ladder)trans-133.8130.9165.957.50000111.7H313 D319 V338 R339 W341H313-S331 PolarHBondContact CD2-OG 2.84Å; H313-S331 VanDerWaalsContact CD2-OG 3.23Å; H313-S331 PolarHBondContact NE2-O 3.29Å; H313-S331 PolarHBondContact NE2-OG 2.85Å; D319-S331 WeakPolarHBondContact O-CA 3.44Å; S331-V338 CarbonylContact O-C 3.49Å; S331-V338 VanDerWaalsContact O-CA 3.3Å; S331-V338 WeakPolarHBondContact O-CA 2.93Å; S331-V338 WeakPolarHBondContact O-CG1 3.45Å; S331-R339 PolarHBondContact N-O 3.08Å; S331-R339 PolarHBondContact O-N 2.66Å; S331-W341 PolarHBondContact OG-NE1 3.23Å
332A95.2Very high91.9Very high0 Ų019.7 Ų19.70%010%0.103CC..EExtended strand (participates in β ladder)trans-104.4131.7177.700000111.2V317 Y318 D319 V338 V360 A363V317-A332 CarbonylContact C-O 3.59Å; V317-A332 WeakPolarHBondContact CA-O 3.47Å; Y318-A332 PolarHBondContact N-O 3.3Å; D319-A332 HydrophobicContact CB-CB 4.18Å; D319-A332 PolarHBondContact O-N 3.06Å; A332-V338 HydrophobicContact CB-CG2 4.1Å; A332-V360 HydrophobicContact CB-CB 4.25Å; A332-V360 HydrophobicContact CB-CG1 4.13Å; A332-A363 HydrophobicContact CB-CB 3.97Å
333S94.9Very high91.5Very high0 Ų019.6 Ų19.60%010%0.102CC..EExtended strand (participates in β ladder)trans-129.6154.5-171.6-179.70000115.1H313 K315 I316 D335 G336 T337 V360H313-S333 WeakPolarHBondContact CE1-CB 3.2Å; H313-S333 WeakPolarHBondContact ND1-CB 3.26Å; K315-S333 PolarHBondContact O-OG 3.38Å; I316-S333 WeakPolarHBondContact O-CA 3.36Å; I316-S333 PolarHBondContact O-OG 3.46Å; I316-S333 VanDerWaalsContact O-OG 3.14Å; S333-D335 WeakPolarHBondContact CB-OD1 3.42Å; S333-D335 PolarHBondContact O-N 3.39Å; S333-D335 PolarHBondContact OG-N 3.47Å; S333-D335 PolarHBondContact OG-OD1 3.11Å; S333-G336 PolarHBondContact O-N 3.02Å; S333-T337 PolarHBondContact N-O 2.88Å; S333-T337 VanDerWaalsContact N-O 3.17Å; S333-V360 PolarHBondContact O-N 3.2Å; S333-V360 VanDerWaalsContact O-N 3.13Å
334S93.4Very high91.1Very high6 Ų624.2 Ų24.24%0.04212%0.124CC..THydrogen-bonded Turntrans-66.7-5.4163.5530000114.4K315 I316 G336 F359K315-S334 WeakPolarHBondContact CB-OG 3.45Å; K315-S334 WeakPolarHBondContact CD-O 3.31Å; I316-S334 PolarHBondContact N-OG 3.09Å; I316-S334 PolarHBondContact O-N 2.81Å; I316-S334 PolarHBondContact O-OG 2.87Å; S334-G336 PolarHBondContact O-N 3.32Å; S334-F359 WeakPolarHBondContact O-CD1 3.3Å; S334-F359 WeakPolarHBondContact O-CE1 3.47Å
335D91.8Very high90.7Very high33 Ų3328.1 Ų28.118%0.17613%0.133CC..THydrogen-bonded Turntrans-74.5-7.7169.374.86.5000113.7H313 L314 K315 S333 T337 R339H313-D335 WeakPolarHBondContact CA-OD2 3.08Å; H313-D335 IonicContact CE1-OD1 2.93Å; H313-D335 IonicContact CE1-OD2 3.23Å; H313-D335 IonicContact CG-OD2 3.55Å; H313-D335 IonicContact ND1-OD1 2.87Å; H313-D335 PolarHBondContact ND1-OD1 2.93Å; H313-D335 IonicContact ND1-OD2 2.88Å; H313-D335 PolarHBondContact ND1-OD2 3.03Å; L314-D335 HydrophobicContact CB-CB 4.07Å; L314-D335 PolarHBondContact N-OD2 3.37Å; K315-D335 HydrophobicContact CB-CB 4.12Å; K315-D335 HydrophobicContact CG-CB 4.18Å; S333-D335 WeakPolarHBondContact CB-OD1 3.42Å; S333-D335 PolarHBondContact O-N 3.39Å; S333-D335 PolarHBondContact OG-N 3.47Å; S333-D335 PolarHBondContact OG-OD1 3.11Å; D335-T337 WeakPolarHBondContact OD1-CB 3.09Å; D335-T337 PolarHBondContact OD1-N 2.84Å; D335-T337 PolarHBondContact OD1-OG1 3.2Å; D335-T337 PolarHBondContact OD2-OG1 3.12Å; D335-R339 IonicContact OD2-NH2 3.91Å; D335-R339 PolarHBondContact OD2-NH2 3.49Å
336G91.4Very high90.5Very high10 Ų1028.5 Ų28.510%0.10314%0.135CC..SBendtrans86.914.2-178.400000113.5S333 S334 H356S333-G336 PolarHBondContact O-N 3.02Å; S334-G336 PolarHBondContact O-N 3.32Å; G336-H356 WeakPolarHBondContact O-CB 3.4Å; G336-H356 PolarHBondContact O-N 2.85Å
337T94.2Very high89.9Confident22 Ų2231.9 Ų31.914%0.13515%0.152CC..EExtended strand (participates in β ladder)trans-121.3147.717367.50000112H313 S333 D335 R339 V353 L354H313-T337 PolarHBondContact CE1-O 3Å; H313-T337 PolarHBondContact CE1-OG1 2.86Å; H313-T337 VanDerWaalsContact CE1-OG1 3.27Å; H313-T337 PolarHBondContact ND1-OG1 2.83Å; S333-T337 PolarHBondContact N-O 2.88Å; S333-T337 VanDerWaalsContact N-O 3.17Å; D335-T337 WeakPolarHBondContact OD1-CB 3.09Å; D335-T337 PolarHBondContact OD1-N 2.84Å; D335-T337 PolarHBondContact OD1-OG1 3.2Å; D335-T337 PolarHBondContact OD2-OG1 3.12Å; T337-R339 PolarHBondContact OG1-NE 2.87Å; T337-V353 HydrophobicContact CG2-CG1 3.74Å; T337-L354 WeakPolarHBondContact CA-O 3.46Å
338V95.3Very high89.1Confident0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-105.8132.6156.6-176.60000107.4L330 S331 A332 V353 L354 V360 A363 T375L330-V338 HydrophobicContact CD2-CG1 4.17Å; S331-V338 CarbonylContact O-C 3.49Å; S331-V338 VanDerWaalsContact O-CA 3.3Å; S331-V338 WeakPolarHBondContact O-CA 2.93Å; S331-V338 WeakPolarHBondContact O-CG1 3.45Å; A332-V338 HydrophobicContact CB-CG2 4.1Å; V338-V353 CarbonylContact O-C 3.59Å; V338-L354 HydrophobicContact CB-CB 4.2Å; V338-L354 HydrophobicContact CB-CD1 4.22Å; V338-L354 HydrophobicContact CB-CG 4.44Å; V338-L354 HydrophobicContact CG1-CD1 4.36Å; V338-L354 PolarHBondContact N-O 3.07Å; V338-L354 PolarHBondContact O-N 2.73Å; V338-V360 HydrophobicContact CG2-CB 3.96Å; V338-V360 HydrophobicContact CG2-CG1 3.61Å; V338-V360 HydrophobicContact CG2-CG2 4.02Å; V338-A363 HydrophobicContact CG1-CB 3.79Å; V338-A363 HydrophobicContact CG2-CB 4.37Å; V338-T375 HydrophobicContact CB-CG2 4.49Å; V338-T375 HydrophobicContact CG2-CG2 3.83Å
339R94.4Very high88.5Confident38 Ų3838.3 Ų38.314%0.14319%0.19CC..EExtended strand (participates in β ladder)trans-119.3140.8-176.5-64.2-174.3-168-161.118.4111.7G312 L330 S331 D335 T337 W341 A350 K352 V353G312-R339 PolarHBondContact O-NH1 2.89Å; G312-R339 PolarHBondContact O-NH2 2.95Å; L330-R339 CarbonylContact C-O 3.56Å; L330-R339 VanDerWaalsContact CA-O 3.28Å; L330-R339 WeakPolarHBondContact CA-O 3.34Å; S331-R339 PolarHBondContact N-O 3.08Å; S331-R339 PolarHBondContact O-N 2.66Å; D335-R339 IonicContact OD2-NH2 3.91Å; D335-R339 PolarHBondContact OD2-NH2 3.49Å; T337-R339 PolarHBondContact OG1-NE 2.87Å; R339-W341 HydrophobicContact CB-CZ2 3.75Å; R339-W341 HydrophobicContact CG-CZ2 4.33Å; R339-A350 HydrophobicContact CB-CB 4Å; R339-A350 HydrophobicContact CG-CB 4.29Å; R339-K352 WeakPolarHBondContact CA-O 3.39Å; R339-V353 HydrophobicContact CG-CG1 4.18Å; R339-V353 HydrophobicContact CG-CG2 4.2Å
340E93.3Very high88.1Confident12 Ų1239.4 Ų39.46%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-103.2124.3175.1-174.3179.4-12400109.3V328 L330 A350 Q351 K352 Y365 L387V328-E340 HydrophobicContact CG1-CG 3.18Å; L330-E340 HydrophobicContact CD2-CB 4.11Å; L330-E340 HydrophobicContact CD2-CG 4.44Å; E340-A350 CarbonylContact O-C 3.56Å; E340-A350 WeakPolarHBondContact O-CA 3.31Å; E340-Q351 HydrophobicContact CG-CB 4.5Å; E340-Q351 PolarHBondContact O-N 3.42Å; E340-Q351 PolarHBondContact OE2-NE2 3.37Å; E340-K352 HydrophobicContact CB-CB 4Å; E340-K352 PolarHBondContact N-O 2.96Å; E340-K352 WeakPolarHBondContact OE2-CD 3.27Å; E340-Y365 PolarHBondContact OE1-OH 2.78Å; E340-L387 WeakPolarHBondContact OE1-CD1 3.48Å
341W91.8Very high87.6Confident0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-116.1129.6-177.5-50.397.8000110.9F310 H313 V328 L329 S331 R339 V343 E348 A350F310-W341 HydrophobicContact CB-CD2 3.6Å; F310-W341 HydrophobicContact CB-CE3 3.55Å; F310-W341 HydrophobicContact CB-CG 4.1Å; F310-W341 HydrophobicContact CB-CH2 4.17Å; F310-W341 HydrophobicContact CB-CZ2 4.24Å; F310-W341 HydrophobicContact CB-CZ3 3.83Å; F310-W341 HydrophobicContact CD1-CB 4.03Å; F310-W341 HydrophobicContact CD1-CD2 4.18Å; F310-W341 AromaticContact CD1-CE3 3.81Å; F310-W341 HydrophobicContact CD1-CE3 3.81Å; F310-W341 HydrophobicContact CD1-CG 4.3Å; F310-W341 HydrophobicContact CD2-CB 3.8Å; F310-W341 HydrophobicContact CD2-CD2 4.34Å; F310-W341 AromaticContact CD2-CG 3.93Å; F310-W341 HydrophobicContact CD2-CG 3.93Å; F310-W341 HydrophobicContact CE1-CB 4.09Å; F310-W341 HydrophobicContact CE2-CB 3.84Å; F310-W341 HydrophobicContact CE2-CG 4.46Å; F310-W341 HydrophobicContact CG-CB 3.9Å; F310-W341 AromaticContact CG-CD2 3.79Å; F310-W341 HydrophobicContact CG-CD2 3.79Å; F310-W341 AromaticContact CG-CE3 3.8Å; F310-W341 HydrophobicContact CG-CE3 3.8Å; F310-W341 AromaticContact CG-CG 3.85Å; F310-W341 HydrophobicContact CG-CG 3.85Å; F310-W341 HydrophobicContact CZ-CB 4Å; H313-W341 AromaticContact CD2-CZ2 3.98Å; V328-W341 WeakPolarHBondContact CA-O 3.45Å; V328-W341 WeakPolarHBondContact CG1-O 3.29Å; L329-W341 PolarHBondContact N-O 2.9Å; L329-W341 PolarHBondContact O-N 2.8Å; S331-W341 PolarHBondContact OG-NE1 3.23Å; R339-W341 HydrophobicContact CB-CZ2 3.75Å; R339-W341 HydrophobicContact CG-CZ2 4.33Å; W341-V343 PolarHBondContact O-N 3.32Å; W341-E348 WeakPolarHBondContact CZ3-O 3.42Å; W341-A350 HydrophobicContact CD2-CB 4.3Å; W341-A350 HydrophobicContact CE3-CB 3.85Å; W341-A350 HydrophobicContact CH2-CB 4.08Å; W341-A350 HydrophobicContact CZ2-CB 4.46Å; W341-A350 HydrophobicContact CZ3-CB 3.75Å
342N89.2Confident87.3Confident11 Ų1144 Ų446%0.05922%0.22CC..EExtended strand (participates in β ladder)trans-86.8102179.9-165.7-55.9000110.6E344 K345 L346 L347 Q351N342-E344 PolarHBondContact OD1-N 3.42Å; N342-K345 WeakPolarHBondContact OD1-CB 3.06Å; N342-K345 WeakPolarHBondContact OD1-CG 3.42Å; N342-K345 PolarHBondContact OD1-N 3.49Å; N342-L346 PolarHBondContact O-N 3.21Å; N342-L346 VanDerWaalsContact O-N 3.09Å; N342-L347 HydrophobicContact CB-CD1 4.35Å; N342-L347 PolarHBondContact O-N 3.38Å; N342-Q351 PolarHBondContact ND2-OE1 2.81Å
343V86.4Confident87.1Confident0 Ų045.6 Ų45.60%023%0.23CC..THydrogen-bonded Turntrans-85.3-17.6-175.2-162.80000112.2V298 F310 W322 R327 L329 W341 L346V298-V343 HydrophobicContact CG1-CG1 4.08Å; V298-V343 HydrophobicContact CG2-CG1 4.36Å; F310-V343 HydrophobicContact CE2-CG2 3.93Å; F310-V343 HydrophobicContact CZ-CB 4.39Å; F310-V343 HydrophobicContact CZ-CG1 4.45Å; F310-V343 HydrophobicContact CZ-CG2 3.93Å; W322-V343 HydrophobicContact CH2-CG1 4.11Å; W322-V343 HydrophobicContact CH2-CG2 4.28Å; W322-V343 HydrophobicContact CZ3-CB 4.13Å; W322-V343 HydrophobicContact CZ3-CG1 4.07Å; W322-V343 HydrophobicContact CZ3-CG2 3.76Å; R327-V343 WeakPolarHBondContact O-CA 3.47Å; R327-V343 WeakPolarHBondContact O-CB 3.35Å; R327-V343 PolarHBondContact O-N 2.93Å; L329-V343 HydrophobicContact CB-CG2 3.78Å; W341-V343 PolarHBondContact O-N 3.32Å; V343-L346 VanDerWaalsContact O-CD2 3.27Å; V343-L346 WeakPolarHBondContact O-CD2 3.24Å
344E81.7Confident87Confident104 Ų10445.7 Ų45.749%0.48623%0.23SC..THydrogen-bonded Turntrans-72.5-40.7170.1-175.5174.1-151.800112.1R327 N342R327-E344 HydrophobicContact CB-CB 4.44Å; R327-E344 WeakPolarHBondContact CD-OE2 3.03Å; R327-E344 HydrophobicContact CG-CB 4.48Å; R327-E344 IonicContact CZ-OE1 3.34Å; R327-E344 IonicContact CZ-OE2 3.66Å; R327-E344 IonicContact NE-OE2 3.93Å; R327-E344 IonicContact NH1-OE1 2.85Å; R327-E344 PolarHBondContact NH1-OE1 3.04Å; R327-E344 IonicContact NH1-OE2 3.8Å; R327-E344 PolarHBondContact NH1-OE2 3.29Å; R327-E344 PolarHBondContact O-N 3.2Å; N342-E344 PolarHBondContact OD1-N 3.42Å
345K78.1Confident86.9Confident141 Ų14148.5 Ų48.561%0.61325%0.248SC*.THydrogen-bonded Turntrans-92.1-5.9179.9-63.2176.6-177.3172.40114N342 L347N342-K345 WeakPolarHBondContact OD1-CB 3.06Å; N342-K345 WeakPolarHBondContact OD1-CG 3.42Å; N342-K345 PolarHBondContact OD1-N 3.49Å; K345-L347 HydrophobicContact CB-CD1 4.09Å; K345-L347 HydrophobicContact CB-CG 3.85Å; K345-L347 HydrophobicContact CD-CD1 4.23Å; K345-L347 PolarHBondContact O-N 2.9Å
346L79.4Confident86.9Confident78 Ų7847.9 Ų47.941%0.40824%0.244SC..THydrogen-bonded Turntrans50.540-178-54.5173.3000113L307 A308 N342 V343 E348L307-L346 HydrophobicContact CB-CD2 4.17Å; A308-L346 HydrophobicContact CB-CD2 3.94Å; N342-L346 PolarHBondContact O-N 3.21Å; N342-L346 VanDerWaalsContact O-N 3.09Å; V343-L346 VanDerWaalsContact O-CD2 3.27Å; V343-L346 WeakPolarHBondContact O-CD2 3.24Å; L346-E348 PolarHBondContact O-N 2.92Å
347L75.5Confident86.8Confident83 Ų8352 Ų5244%0.43527%0.27SS..  trans-76120.3-179-68.2171.7000110.4F310 N342 K345 N349F310-L347 VanDerWaalsContact CD1-O 3.28Å; F310-L347 WeakPolarHBondContact CD1-O 3.18Å; F310-L347 WeakPolarHBondContact CE1-O 3.44Å; N342-L347 HydrophobicContact CB-CD1 4.35Å; N342-L347 PolarHBondContact O-N 3.38Å; K345-L347 HydrophobicContact CB-CD1 4.09Å; K345-L347 HydrophobicContact CB-CG 3.85Å; K345-L347 HydrophobicContact CD-CD1 4.23Å; K345-L347 PolarHBondContact O-N 2.9Å; L347-N349 PolarHBondContact O-N 3.3Å
348E72.1Confident86.7Confident137 Ų13752.4 Ų52.464%0.6427%0.273SS*.SBendtrans-61.2-26.5179.2-62.1-171.8159.600113.4W341 L346W341-E348 WeakPolarHBondContact CZ3-O 3.42Å; L346-E348 PolarHBondContact O-N 2.92Å
349N78.5Confident86.7Confident129 Ų12955.9 Ų55.969%0.6929%0.288SS*.SBendtrans-90.7145.4176.9-73.1-40.2000111.8L347 Q351L347-N349 PolarHBondContact O-N 3.3Å; N349-Q351 PolarHBondContact O-N 3.45Å
350A83.6Confident86.7Confident23 Ų2354.1 Ų54.119%0.1928%0.281CS..  trans-63.7134.4174.400000111.2R339 E340 W341 V353R339-A350 HydrophobicContact CB-CB 4Å; R339-A350 HydrophobicContact CG-CB 4.29Å; E340-A350 CarbonylContact O-C 3.56Å; E340-A350 WeakPolarHBondContact O-CA 3.31Å; W341-A350 HydrophobicContact CD2-CB 4.3Å; W341-A350 HydrophobicContact CE3-CB 3.85Å; W341-A350 HydrophobicContact CH2-CB 4.08Å; W341-A350 HydrophobicContact CZ2-CB 4.46Å; W341-A350 HydrophobicContact CZ3-CB 3.75Å; A350-V353 HydrophobicContact CB-CG2 3.84Å
351Q84.8Confident86.7Confident73 Ų7355.2 Ų55.234%0.34129%0.286SS..SBendtrans-68.4-38.6174.1-174.7175.9-88.200111.1E340 N342 N349E340-Q351 HydrophobicContact CG-CB 4.5Å; E340-Q351 PolarHBondContact O-N 3.42Å; E340-Q351 PolarHBondContact OE2-NE2 3.37Å; N342-Q351 PolarHBondContact ND2-OE1 2.81Å; N349-Q351 PolarHBondContact O-N 3.45Å
352K87.8Confident86.8Confident24 Ų2455.2 Ų55.210%0.10429%0.286CS..EExtended strand (participates in β ladder)trans-141.6151.2174.5-65.2178.6-174.5-80.60111R339 E340 L387 V389 D391 V392R339-K352 WeakPolarHBondContact CA-O 3.39Å; E340-K352 HydrophobicContact CB-CB 4Å; E340-K352 PolarHBondContact N-O 2.96Å; E340-K352 WeakPolarHBondContact OE2-CD 3.27Å; K352-L387 HydrophobicContact CD-CB 3.93Å; K352-L387 HydrophobicContact CD-CD2 4.05Å; K352-L387 HydrophobicContact CD-CG 4.39Å; K352-L387 WeakPolarHBondContact CE-O 3.2Å; K352-L387 PolarHBondContact NZ-O 3.33Å; K352-L387 VanDerWaalsContact NZ-O 3.08Å; K352-V389 PolarHBondContact NZ-O 3.21Å; K352-D391 PolarHBondContact NZ-O 2.71Å; K352-V392 CarbonylContact C-O 3.54Å; K352-V392 WeakPolarHBondContact CA-O 3.29Å; K352-V392 WeakPolarHBondContact CB-O 3.11Å
353V91.8Very high87.1Confident34 Ų3454.8 Ų54.821%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-135.197.7-178.7-176.50000108.3T337 V338 R339 A350 P355 V392 N393T337-V353 HydrophobicContact CG2-CG1 3.74Å; V338-V353 CarbonylContact O-C 3.59Å; R339-V353 HydrophobicContact CG-CG1 4.18Å; R339-V353 HydrophobicContact CG-CG2 4.2Å; A350-V353 HydrophobicContact CB-CG2 3.84Å; V353-P355 VanDerWaalsContact O-CD 3.3Å; V353-P355 WeakPolarHBondContact O-CD 3.46Å; V353-V392 PolarHBondContact N-O 3.45Å; V353-N393 WeakPolarHBondContact O-CA 3.27Å
354L92.3Very high87.5Confident2 Ų256.7 Ų56.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-79.2115.1-179.1-45.5178.6000108.9T337 V338 V373 W385 L387 N393T337-L354 WeakPolarHBondContact CA-O 3.46Å; V338-L354 HydrophobicContact CB-CB 4.2Å; V338-L354 HydrophobicContact CB-CD1 4.22Å; V338-L354 HydrophobicContact CB-CG 4.44Å; V338-L354 HydrophobicContact CG1-CD1 4.36Å; V338-L354 PolarHBondContact N-O 3.07Å; V338-L354 PolarHBondContact O-N 2.73Å; L354-V373 HydrophobicContact CD1-CG1 4.47Å; L354-W385 HydrophobicContact CB-CD2 4.08Å; L354-W385 HydrophobicContact CB-CE3 4.22Å; L354-W385 HydrophobicContact CB-CH2 4.36Å; L354-W385 HydrophobicContact CB-CZ2 4.2Å; L354-W385 HydrophobicContact CB-CZ3 4.35Å; L354-W385 HydrophobicContact CD1-CB 3.99Å; L354-W385 HydrophobicContact CD1-CD2 4.08Å; L354-W385 HydrophobicContact CD1-CG 3.75Å; L354-W385 HydrophobicContact CD2-CB 4.46Å; L354-W385 HydrophobicContact CD2-CD2 4.19Å; L354-W385 HydrophobicContact CD2-CE3 3.96Å; L354-W385 HydrophobicContact CD2-CG 4.43Å; L354-W385 HydrophobicContact CG-CD2 4.34Å; L354-W385 HydrophobicContact CG-CE3 4.5Å; L354-W385 HydrophobicContact CG-CG 4.48Å; L354-L387 HydrophobicContact CD1-CD2 4.28Å; L354-L387 HydrophobicContact CD2-CD2 3.73Å; L354-N393 WeakPolarHBondContact CD2-O 3.46Å
355P91.8Very high88Confident64 Ų6452.6 Ų52.642%0.41627%0.272SS..EExtended strand (participates in β ladder)trans-84.3133.9-176.132.8-33.7000111.8V353 W385V353-P355 VanDerWaalsContact O-CD 3.3Å; V353-P355 WeakPolarHBondContact O-CD 3.46Å; P355-W385 HydrophobicContact CG-CH2 4.32Å; P355-W385 VanDerWaalsContact O-CH2 3.3Å; P355-W385 WeakPolarHBondContact O-CH2 3.41Å; P355-W385 WeakPolarHBondContact O-CZ2 3.39Å
356H92.2Very high88.5Confident20 Ų2046.1 Ų46.19%0.09324%0.244CC..  trans-121.4150.6174-79-119.5000111.2G336 S358 V360 T375 S377 W385G336-H356 WeakPolarHBondContact O-CB 3.4Å; G336-H356 PolarHBondContact O-N 2.85Å; H356-S358 WeakPolarHBondContact CB-O 3.41Å; H356-S358 PolarHBondContact O-N 3.22Å; H356-V360 HydrophobicContact CB-CG2 3.62Å; H356-V360 VanDerWaalsContact CG-CG2 3.4Å; H356-T375 PolarHBondContact CE1-OG1 2.88Å; H356-T375 PolarHBondContact NE2-OG1 3.42Å; H356-S377 PolarHBondContact ND1-OG 2.73Å; H356-W385 AromaticContact CD2-CZ2 3.79Å; H356-W385 AromaticContact CE1-NE1 3.95Å; H356-W385 AromaticContact NE2-CE2 3.7Å; H356-W385 AromaticContact NE2-CZ2 3.57Å; H356-W385 AromaticContact NE2-NE1 3.31Å; H356-W385 PolarHBondContact NE2-NE1 3.18Å
357P89.5Confident88.7Confident98 Ų9845 Ų4564%0.63624%0.241SC*.SBendtrans-75.5-7.4177.333-37.4000113.5D379P357-D379 VanDerWaalsContact CG-OD2 3.29Å; P357-D379 WeakPolarHBondContact CG-OD2 3.44Å
358S92.1Very high88.8Confident29 Ų2943.7 Ų43.720%0.20325%0.249CC..SBendtrans-155.9179.3-177.8-153.90000111.5H356 Y378H356-S358 WeakPolarHBondContact CB-O 3.41Å; H356-S358 PolarHBondContact O-N 3.22Å; S358-Y378 WeakPolarHBondContact OG-CD1 3.43Å
359F93.6Very high89.2Confident74 Ų7438.2 Ų38.233%0.32523%0.226SC..  trans-59.3138.3-175.9-51.3-22.5000111.6S334 S377 Y378S334-F359 WeakPolarHBondContact O-CD1 3.3Å; S334-F359 WeakPolarHBondContact O-CE1 3.47Å; F359-S377 CarbonylContact O-C 3.58Å; F359-S377 VanDerWaalsContact O-CA 3.26Å; F359-S377 WeakPolarHBondContact O-CA 3.15Å; F359-S377 WeakPolarHBondContact O-CB 3.25Å; F359-Y378 PolarHBondContact O-N 2.73Å
360V95.3Very high89.1Confident0 Ų036.9 Ų36.90%022%0.216CC..EExtended strand (participates in β ladder)trans-106.5118.7178.3-1620000109.6A332 S333 V338 H356 G376A332-V360 HydrophobicContact CB-CB 4.25Å; A332-V360 HydrophobicContact CB-CG1 4.13Å; S333-V360 PolarHBondContact O-N 3.2Å; S333-V360 VanDerWaalsContact O-N 3.13Å; V338-V360 HydrophobicContact CG2-CB 3.96Å; V338-V360 HydrophobicContact CG2-CG1 3.61Å; V338-V360 HydrophobicContact CG2-CG2 4.02Å; H356-V360 HydrophobicContact CB-CG2 3.62Å; H356-V360 VanDerWaalsContact CG-CG2 3.4Å; V360-G376 WeakPolarHBondContact CG1-O 3.24Å
361Y93.5Very high89.1Confident36 Ų3638.5 Ų38.514%0.14122%0.222CC..EExtended strand (participates in β ladder)trans-93.7-22.8-174.3-72-59.9000113.9Y318 D319 G376 Y378 F406 R507Y318-Y361 AromaticContact CD2-CD1 3.54Å; Y318-Y361 HydrophobicContact CD2-CD1 3.54Å; Y318-Y361 AromaticContact CD2-CE1 3.99Å; Y318-Y361 HydrophobicContact CD2-CE1 3.99Å; Y318-Y361 HydrophobicContact CE1-CE1 4.49Å; Y318-Y361 AromaticContact CE2-CD1 3.53Å; Y318-Y361 HydrophobicContact CE2-CD1 3.53Å; Y318-Y361 AromaticContact CE2-CE1 3.46Å; Y318-Y361 HydrophobicContact CE2-CE1 3.46Å; Y318-Y361 VanDerWaalsContact CE2-CE1 3.46Å; Y318-Y361 HydrophobicContact CG-CD1 4.11Å; Y318-Y361 AromaticContact CZ-CE1 3.77Å; D319-Y361 WeakPolarHBondContact CB-O 3.4Å; Y361-G376 PolarHBondContact N-O 3.04Å; Y361-Y378 AromaticContact CE2-CD2 3.9Å; Y361-Y378 HydrophobicContact CE2-CD2 3.9Å; Y361-Y378 HydrophobicContact CE2-CG 4.42Å; Y361-Y378 WeakPolarHBondContact OH-CD2 3.38Å; Y361-F406 HydrophobicContact CD2-CB 4.47Å; Y361-F406 HydrophobicContact CE2-CB 4.05Å; Y361-R507 PolarHBondContact O-NH1 2.81Å
362C93.8Very high89.2Confident0 Ų035.6 Ų35.60%021%0.208CC..EExtended strand (participates in β ladder)trans-151.1150.417856.20000112.5D319 T375 G376 S409D319-C362 WeakPolarHBondContact OD2-CA 3.42Å; D319-C362 WeakPolarHBondContact OD2-CB 3.17Å; C362-T375 WeakPolarHBondContact O-CA 3.43Å; C362-G376 PolarHBondContact N-O 2.67Å; C362-G376 PolarHBondContact O-N 3.16Å; C362-S409 VanDerWaalsContact SG-CA 3.59Å
363A95.2Very high89.4Confident1 Ų134.4 Ų34.41%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-147.2130.3173.300000110.6D319 C321 A332 V338 V374 T375D319-A363 PolarHBondContact OD2-N 3.17Å; D319-A363 VanDerWaalsContact OD2-N 3.12Å; C321-A363 WeakPolarHBondContact CB-O 3.33Å; A332-A363 HydrophobicContact CB-CB 3.97Å; V338-A363 HydrophobicContact CG1-CB 3.79Å; V338-A363 HydrophobicContact CG2-CB 4.37Å; A363-V374 CarbonylContact C-O 3.58Å; A363-V374 VanDerWaalsContact CA-O 3.3Å; A363-V374 WeakPolarHBondContact CA-O 3.47Å; A363-T375 HydrophobicContact CB-CG2 4.03Å
364Q94.1Very high89.5Confident40 Ų4032.8 Ų32.819%0.18719%0.193CC..EExtended strand (participates in β ladder)trans-135.2141.1174.2-69.6-160.1-7.400112.6V373 V374 V410 F412Q364-V373 WeakPolarHBondContact O-CA 3.14Å; Q364-V374 PolarHBondContact N-O 3.46Å; Q364-V374 PolarHBondContact O-N 3.43Å; Q364-V410 VanDerWaalsContact CD-O 3.27Å; Q364-V410 PolarHBondContact NE2-O 3.12Å; Q364-V410 VanDerWaalsContact NE2-O 3.16Å; Q364-F412 HydrophobicContact CB-CD2 4.11Å; Q364-F412 HydrophobicContact CB-CE2 4.19Å
365Y92.2Very high89.6Confident18 Ų1832.7 Ų32.77%0.07119%0.193CC..EExtended strand (participates in β ladder)trans-66.4145.8162.6-74.7-75.1000111W322 V328 L330 E340 Q370 V373 L387 F412W322-Y365 WeakPolarHBondContact O-CD2 3.45Å; V328-Y365 VanDerWaalsContact CG1-OH 3.23Å; V328-Y365 WeakPolarHBondContact CG1-OH 3.46Å; L330-Y365 HydrophobicContact CB-CE2 4.43Å; L330-Y365 HydrophobicContact CD1-CD1 4.2Å; L330-Y365 HydrophobicContact CD1-CD2 3.53Å; L330-Y365 HydrophobicContact CD1-CE1 4.07Å; L330-Y365 HydrophobicContact CD1-CE2 3.38Å; L330-Y365 HydrophobicContact CD1-CG 3.95Å; L330-Y365 HydrophobicContact CD2-CE2 4.46Å; L330-Y365 HydrophobicContact CG-CD2 4.11Å; L330-Y365 HydrophobicContact CG-CE1 4.44Å; L330-Y365 HydrophobicContact CG-CE2 3.45Å; L330-Y365 VanDerWaalsContact CG-CE2 3.45Å; E340-Y365 PolarHBondContact OE1-OH 2.78Å; Y365-Q370 WeakPolarHBondContact CD1-O 3.27Å; Y365-Q370 WeakPolarHBondContact CE1-O 3.46Å; Y365-V373 HydrophobicContact CD1-CG2 3.55Å; Y365-V373 HydrophobicContact CE1-CG2 3.61Å; Y365-V373 HydrophobicContact CG-CG2 4.32Å; Y365-L387 HydrophobicContact CE1-CD1 4.01Å; Y365-F412 WeakPolarHBondContact O-CD2 3.25Å
366H89Confident89.7Confident6 Ų629.7 Ų29.73%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-77.9118.4169.7-179.8-79.7000109.8G368 A369 L372 F412 G416H366-G368 VanDerWaalsContact C-N 3.31Å; H366-G368 PolarHBondContact ND1-N 3.08Å; H366-G368 PolarHBondContact O-N 2.82Å; H366-A369 HydrophobicContact CB-CB 4.36Å; H366-A369 WeakPolarHBondContact ND1-CB 3.34Å; H366-A369 PolarHBondContact ND1-N 2.89Å; H366-A369 VanDerWaalsContact ND1-N 3.17Å; H366-A369 CarbonylContact O-C 3.56Å; H366-A369 VanDerWaalsContact O-C 3.25Å; H366-A369 PolarHBondContact O-N 2.92Å; H366-A369 VanDerWaalsContact O-O 3.12Å; H366-L372 HydrophobicContact CB-CB 4.03Å; H366-L372 PolarHBondContact N-O 3.03Å; H366-F412 HydrophobicContact CB-CE1 4.49Å; H366-F412 HydrophobicContact CB-CE2 4.39Å; H366-F412 HydrophobicContact CB-CZ 4.09Å; H366-F412 AromaticContact CD2-CE1 3.47Å; H366-F412 VanDerWaalsContact CD2-CE1 3.47Å; H366-F412 WeakPolarHBondContact CD2-CE1 3.32Å; H366-F412 AromaticContact CD2-CZ 3.85Å; H366-G416 PolarHBondContact NE2-O 3.43Å
367P85Confident89.7Confident53 Ų5328.7 Ų28.734%0.34417%0.169SC..THydrogen-bonded Turntrans-64.8-31.1-16722.9-32.8000113.8F412 D413P367-F412 HydrophobicContact CG-CB 3.96Å; P367-F412 HydrophobicContact CG-CG 4.41Å; P367-D413 WeakPolarHBondContact CG-O 3.41Å
368G76.4Confident89.9Confident57 Ų5728.5 Ų28.559%0.58816%0.156SC*.THydrogen-bonded Turntrans-86.23.2173.800000115.5H366H366-G368 VanDerWaalsContact C-N 3.31Å; H366-G368 PolarHBondContact ND1-N 3.08Å; H366-G368 PolarHBondContact O-N 2.82Å
369A81.4Confident89.8Confident21 Ų2129 Ų2917%0.17416%0.156CC..EExtended strand (participates in β ladder)trans-154.687.3-175.700000110.9H366 N371 L372 V435H366-A369 HydrophobicContact CB-CB 4.36Å; H366-A369 WeakPolarHBondContact ND1-CB 3.34Å; H366-A369 PolarHBondContact ND1-N 2.89Å; H366-A369 VanDerWaalsContact ND1-N 3.17Å; H366-A369 CarbonylContact O-C 3.56Å; H366-A369 VanDerWaalsContact O-C 3.25Å; H366-A369 PolarHBondContact O-N 2.92Å; H366-A369 VanDerWaalsContact O-O 3.12Å; A369-N371 PolarHBondContact O-N 2.85Å; A369-L372 HydrophobicContact CB-CB 4.36Å; A369-L372 HydrophobicContact CB-CD1 3.93Å; A369-L372 HydrophobicContact CB-CG 4.26Å; A369-L372 PolarHBondContact O-N 2.96Å; A369-V435 HydrophobicContact CB-CG1 4.04Å
370Q75.1Confident89.8Confident101 Ų10129.6 Ų29.647%0.47216%0.159SC..EExtended strand (participates in β ladder)trans-52.3-27-167.4-58.1-176.1-53.400115.2S324 Y365S324-Q370 PolarHBondContact OG-NE2 3.06Å; Y365-Q370 WeakPolarHBondContact CD1-O 3.27Å; Y365-Q370 WeakPolarHBondContact CE1-O 3.46Å
371N83.4Confident89.6Confident58 Ų5831 Ų3131%0.3117%0.166SC..EExtended strand (participates in β ladder)trans-104.711.3-172.7-45.4-35.4000112.9A369 R386 L387 D388A369-N371 PolarHBondContact O-N 2.85Å; N371-R386 WeakPolarHBondContact O-CA 3.4Å; N371-L387 PolarHBondContact O-N 3.2Å; N371-D388 HydrophobicContact CB-CB 4.48Å; N371-D388 VanDerWaalsContact CB-CG 3.44Å; N371-D388 WeakPolarHBondContact CB-OD2 3.34Å; N371-D388 PolarHBondContact ND2-OD1 3.4Å; N371-D388 PolarHBondContact ND2-OD2 3Å
372L88.8Confident89.6Confident11 Ų1129.3 Ų29.36%0.05816%0.16CC..EExtended strand (participates in β ladder)trans-107.1128.7170.6-69.4178.6000110.3H366 A369 W385 R386 L397 V435 P444H366-L372 HydrophobicContact CB-CB 4.03Å; H366-L372 PolarHBondContact N-O 3.03Å; A369-L372 HydrophobicContact CB-CB 4.36Å; A369-L372 HydrophobicContact CB-CD1 3.93Å; A369-L372 HydrophobicContact CB-CG 4.26Å; A369-L372 PolarHBondContact O-N 2.96Å; L372-W385 WeakPolarHBondContact CA-O 3.5Å; L372-R386 HydrophobicContact CD2-CB 4.31Å; L372-L397 HydrophobicContact CD2-CD1 3.72Å; L372-V435 HydrophobicContact CD1-CG1 3.95Å; L372-V435 HydrophobicContact CD1-CG2 3.9Å; L372-P444 HydrophobicContact CD1-CB 4.17Å; L372-P444 HydrophobicContact CD1-CG 4.22Å; L372-P444 HydrophobicContact CD2-CG 4.12Å
373V91.7Very high89.6Confident0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-121.9136.6177.8178.50000109.7L330 L354 Q364 Y365 T375 V384 W385 L387L330-V373 HydrophobicContact CD1-CB 4.36Å; L330-V373 HydrophobicContact CD1-CG1 3.62Å; L330-V373 HydrophobicContact CD1-CG2 3.72Å; L330-V373 HydrophobicContact CD2-CG2 4.41Å; L354-V373 HydrophobicContact CD1-CG1 4.47Å; Q364-V373 WeakPolarHBondContact O-CA 3.14Å; Y365-V373 HydrophobicContact CD1-CG2 3.55Å; Y365-V373 HydrophobicContact CE1-CG2 3.61Å; Y365-V373 HydrophobicContact CG-CG2 4.32Å; V373-T375 HydrophobicContact CG1-CG2 4.04Å; V373-V384 WeakPolarHBondContact O-CA 3.23Å; V373-W385 HydrophobicContact CB-CB 4.49Å; V373-W385 PolarHBondContact N-O 3.3Å; V373-W385 PolarHBondContact O-N 3.47Å; V373-L387 HydrophobicContact CG2-CD1 3.69Å; V373-L387 HydrophobicContact CG2-CG 4.1Å
374V93.6Very high89.4Confident0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-109140.3170.7-176.90000109.8A363 Q364 I382 R383 V384 V410 F412 M419 W448A363-V374 CarbonylContact C-O 3.58Å; A363-V374 VanDerWaalsContact CA-O 3.3Å; A363-V374 WeakPolarHBondContact CA-O 3.47Å; Q364-V374 PolarHBondContact N-O 3.46Å; Q364-V374 PolarHBondContact O-N 3.43Å; V374-I382 HydrophobicContact CG1-CG2 3.39Å; V374-R383 WeakPolarHBondContact CA-O 3.4Å; V374-V384 HydrophobicContact CG2-CG1 4.19Å; V374-V384 HydrophobicContact CG2-CG2 4.18Å; V374-V410 HydrophobicContact CG1-CG1 4.23Å; V374-F412 HydrophobicContact CB-CE2 4.28Å; V374-F412 HydrophobicContact CB-CZ 4.23Å; V374-F412 HydrophobicContact CG2-CE2 4.09Å; V374-F412 HydrophobicContact CG2-CZ 3.59Å; V374-M419 HydrophobicContact CB-SD 4.28Å; V374-M419 HydrophobicContact CG1-SD 3.79Å; V374-M419 HydrophobicContact CG2-SD 4.13Å; V374-W448 HydrophobicContact CG2-CH2 3.5Å; V374-W448 HydrophobicContact CG2-CZ3 3.61Å
375T94.6Very high89.2Confident0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-134.8138.9-174.451.80000110.1V338 H356 C362 A363 V373 I382 R383 W385V338-T375 HydrophobicContact CB-CG2 4.49Å; V338-T375 HydrophobicContact CG2-CG2 3.83Å; H356-T375 PolarHBondContact CE1-OG1 2.88Å; H356-T375 PolarHBondContact NE2-OG1 3.42Å; C362-T375 WeakPolarHBondContact O-CA 3.43Å; A363-T375 HydrophobicContact CB-CG2 4.03Å; V373-T375 HydrophobicContact CG1-CG2 4.04Å; T375-I382 WeakPolarHBondContact O-CA 3.37Å; T375-R383 PolarHBondContact N-O 2.95Å; T375-R383 PolarHBondContact O-N 2.99Å; T375-R383 WeakPolarHBondContact OG1-CB 3.38Å; T375-R383 PolarHBondContact OG1-O 2.88Å; T375-R383 VanDerWaalsContact OG1-O 3.07Å; T375-W385 PolarHBondContact OG1-NE1 2.92Å
376G93.7Very high89Confident0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-119.5128.4176.700000111.4V360 Y361 C362 V407V360-G376 WeakPolarHBondContact CG1-O 3.24Å; Y361-G376 PolarHBondContact N-O 3.04Å; C362-G376 PolarHBondContact N-O 2.67Å; C362-G376 PolarHBondContact O-N 3.16Å; G376-V407 CarbonylContact C-O 3.56Å
377S92.8Very high88.9Confident0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-128.5167.3-171.740.30000115H356 F359 D379 F380 L381 R383 V407H356-S377 PolarHBondContact ND1-OG 2.73Å; F359-S377 CarbonylContact O-C 3.58Å; F359-S377 VanDerWaalsContact O-CA 3.26Å; F359-S377 WeakPolarHBondContact O-CA 3.15Å; F359-S377 WeakPolarHBondContact O-CB 3.25Å; S377-D379 VanDerWaalsContact CB-OD1 3.27Å; S377-D379 WeakPolarHBondContact CB-OD1 3.49Å; S377-D379 PolarHBondContact O-N 3.01Å; S377-D379 PolarHBondContact OG-OD1 3.46Å; S377-F380 PolarHBondContact O-N 2.83Å; S377-L381 PolarHBondContact N-O 3.44Å; S377-R383 PolarHBondContact OG-NH1 2.84Å; S377-R383 VanDerWaalsContact OG-NH1 3.09Å; S377-V407 PolarHBondContact O-N 3.23Å
378Y93Very high88.7Confident94 Ų9431.2 Ų31.237%0.36917%0.165SC..THydrogen-bonded Turntrans-65.4-12.8179.9-177.6-86000113.6S358 F359 Y361 F380 F406S358-Y378 WeakPolarHBondContact OG-CD1 3.43Å; F359-Y378 PolarHBondContact O-N 2.73Å; Y361-Y378 AromaticContact CE2-CD2 3.9Å; Y361-Y378 HydrophobicContact CE2-CD2 3.9Å; Y361-Y378 HydrophobicContact CE2-CG 4.42Å; Y361-Y378 WeakPolarHBondContact OH-CD2 3.38Å; Y378-F380 PolarHBondContact O-N 3.08Å; Y378-F406 HydrophobicContact CD1-CD1 4.27Å; Y378-F406 HydrophobicContact CD1-CE1 4.08Å; Y378-F406 AromaticContact CD2-CD1 3.47Å; Y378-F406 HydrophobicContact CD2-CD1 3.47Å; Y378-F406 VanDerWaalsContact CD2-CD1 3.47Å; Y378-F406 HydrophobicContact CD2-CD2 4.22Å; Y378-F406 AromaticContact CD2-CE1 3.57Å; Y378-F406 HydrophobicContact CD2-CE1 3.57Å; Y378-F406 HydrophobicContact CD2-CE2 4.31Å; Y378-F406 AromaticContact CD2-CG 3.82Å; Y378-F406 HydrophobicContact CD2-CG 3.82Å; Y378-F406 HydrophobicContact CD2-CZ 4.01Å; Y378-F406 HydrophobicContact CE1-CD1 4.41Å; Y378-F406 AromaticContact CE1-CE1 3.77Å; Y378-F406 HydrophobicContact CE1-CE1 3.77Å; Y378-F406 HydrophobicContact CE1-CZ 4.35Å; Y378-F406 AromaticContact CE2-CD1 3.66Å; Y378-F406 HydrophobicContact CE2-CD1 3.66Å; Y378-F406 HydrophobicContact CE2-CD2 4.1Å; Y378-F406 AromaticContact CE2-CE1 3.24Å; Y378-F406 HydrophobicContact CE2-CE1 3.24Å; Y378-F406 AromaticContact CE2-CE2 3.74Å; Y378-F406 HydrophobicContact CE2-CE2 3.74Å; Y378-F406 HydrophobicContact CE2-CG 4.07Å; Y378-F406 AromaticContact CE2-CZ 3.29Å; Y378-F406 HydrophobicContact CE2-CZ 3.29Å; Y378-F406 AromaticContact CG-CD1 3.8Å; Y378-F406 HydrophobicContact CG-CD1 3.8Å; Y378-F406 AromaticContact CG-CE1 3.98Å; Y378-F406 HydrophobicContact CG-CE1 3.98Å; Y378-F406 HydrophobicContact CG-CG 4.47Å; Y378-F406 AromaticContact CZ-CE1 3.33Å; Y378-F406 AromaticContact CZ-CZ 3.48Å; Y378-F406 VanDerWaalsContact CZ-CZ 3.48Å; Y378-F406 VanDerWaalsContact O-CD1 3.22Å; Y378-F406 WeakPolarHBondContact O-CD1 3.15Å
379D90.7Very high88.9Confident38 Ų3830.7 Ų30.720%0.20315%0.151CC..THydrogen-bonded Turntrans-8415.4173.165.9-19.6000113.9P357 S377 L381 R383P357-D379 VanDerWaalsContact CG-OD2 3.29Å; P357-D379 WeakPolarHBondContact CG-OD2 3.44Å; S377-D379 VanDerWaalsContact CB-OD1 3.27Å; S377-D379 WeakPolarHBondContact CB-OD1 3.49Å; S377-D379 PolarHBondContact O-N 3.01Å; S377-D379 PolarHBondContact OG-OD1 3.46Å; D379-L381 PolarHBondContact O-N 3.42Å; D379-L381 VanDerWaalsContact O-N 3.11Å; D379-R383 IonicContact OD1-NH1 3.21Å; D379-R383 PolarHBondContact OD1-NH1 3.47Å; D379-R383 IonicContact OD2-CZ 3.18Å; D379-R383 IonicContact OD2-NH1 2.71Å; D379-R383 PolarHBondContact OD2-NH1 3.22Å; D379-R383 IonicContact OD2-NH2 2.77Å; D379-R383 PolarHBondContact OD2-NH2 3.04Å
380F91.9Very high88.6Confident87 Ų8737.8 Ų37.838%0.38219%0.186SC..SBendtrans68.7-3.6-179.3-36.1-44.5000115.4S377 Y378 S405 F406 V407S377-F380 PolarHBondContact O-N 2.83Å; Y378-F380 PolarHBondContact O-N 3.08Å; F380-S405 VanDerWaalsContact CD1-CA 3.48Å; F380-S405 WeakPolarHBondContact CD1-O 3.37Å; F380-F406 AromaticContact CD1-CD1 3.87Å; F380-F406 HydrophobicContact CD1-CD1 3.87Å; F380-F406 HydrophobicContact CD1-CE1 4.33Å; F380-F406 AromaticContact CE1-CD1 3.52Å; F380-F406 HydrophobicContact CE1-CD1 3.52Å; F380-F406 AromaticContact CE1-CE1 3.52Å; F380-F406 HydrophobicContact CE1-CE1 3.52Å; F380-F406 HydrophobicContact CZ-CE1 4.36Å; F380-V407 WeakPolarHBondContact O-CG2 3.46Å
381L92.4Very high89Confident31 Ų3136.6 Ų36.616%0.16218%0.183CC..EExtended strand (participates in β ladder)trans-89.5144.7-176-60-177.9000111.9S377 D379 E401S377-L381 PolarHBondContact N-O 3.44Å; D379-L381 PolarHBondContact O-N 3.42Å; D379-L381 VanDerWaalsContact O-N 3.11Å; L381-E401 VanDerWaalsContact CD2-CA 3.49Å; L381-E401 HydrophobicContact CD2-CB 3.6Å; L381-E401 HydrophobicContact CD2-CG 3.99Å
382I93.7Very high88.9Confident0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-100.4129.9161.6-62.8-179.7000107.7V374 T375 E399 F400 V407 M419 W431V374-I382 HydrophobicContact CG1-CG2 3.39Å; T375-I382 WeakPolarHBondContact O-CA 3.37Å; I382-E399 CarbonylContact O-C 3.58Å; I382-E399 WeakPolarHBondContact O-CA 3.2Å; I382-F400 HydrophobicContact CB-CB 4.39Å; I382-F400 PolarHBondContact N-O 3.38Å; I382-F400 PolarHBondContact O-N 2.7Å; I382-V407 HydrophobicContact CD1-CG1 4.19Å; I382-V407 HydrophobicContact CG1-CG1 3.96Å; I382-V407 HydrophobicContact CG1-CG2 4.06Å; I382-M419 HydrophobicContact CD1-CE 4.46Å; I382-M419 HydrophobicContact CG2-CE 4.5Å; I382-W431 HydrophobicContact CD1-CZ2 3.82Å
383R92.1Very high88.7Confident12 Ų1240.9 Ų40.95%0.04521%0.208CC..EExtended strand (participates in β ladder)trans-117.5142177.6-57.6-175.9164.380.53.1111.6V374 T375 S377 D379 M396 Q398 E399V374-R383 WeakPolarHBondContact CA-O 3.4Å; T375-R383 PolarHBondContact N-O 2.95Å; T375-R383 PolarHBondContact O-N 2.99Å; T375-R383 WeakPolarHBondContact OG1-CB 3.38Å; T375-R383 PolarHBondContact OG1-O 2.88Å; T375-R383 VanDerWaalsContact OG1-O 3.07Å; S377-R383 PolarHBondContact OG-NH1 2.84Å; S377-R383 VanDerWaalsContact OG-NH1 3.09Å; D379-R383 IonicContact OD1-NH1 3.21Å; D379-R383 PolarHBondContact OD1-NH1 3.47Å; D379-R383 IonicContact OD2-CZ 3.18Å; D379-R383 IonicContact OD2-NH1 2.71Å; D379-R383 PolarHBondContact OD2-NH1 3.22Å; D379-R383 IonicContact OD2-NH2 2.77Å; D379-R383 PolarHBondContact OD2-NH2 3.04Å; R383-M396 HydrophobicContact CB-SD 4.47Å; R383-M396 VanDerWaalsContact CD-SD 3.59Å; R383-M396 HydrophobicContact CG-SD 4.2Å; R383-Q398 WeakPolarHBondContact CA-O 3.34Å; R383-E399 HydrophobicContact CG-CG 4.15Å; R383-E399 IonicContact CZ-OE1 3.12Å; R383-E399 IonicContact NE-OE1 2.72Å; R383-E399 PolarHBondContact NE-OE1 3.5Å; R383-E399 IonicContact NH2-OE1 2.77Å; R383-E399 PolarHBondContact NH2-OE1 2.77Å
384V91.8Very high88.4Confident0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-113127.5174.2-164.20000109.8V373 V374 L397 Q398 F400 C445 W448V373-V384 WeakPolarHBondContact O-CA 3.23Å; V374-V384 HydrophobicContact CG2-CG1 4.19Å; V374-V384 HydrophobicContact CG2-CG2 4.18Å; V384-L397 PolarHBondContact O-N 3.15Å; V384-Q398 PolarHBondContact N-O 3.49Å; V384-F400 HydrophobicContact CG2-CD2 4.3Å; V384-F400 HydrophobicContact CG2-CE2 3.72Å; V384-C445 VanDerWaalsContact CG1-SG 3.55Å; V384-W448 HydrophobicContact CB-CZ3 4.48Å; V384-W448 HydrophobicContact CG1-CH2 3.94Å; V384-W448 HydrophobicContact CG1-CZ3 4.21Å; V384-W448 HydrophobicContact CG2-CE3 3.89Å; V384-W448 HydrophobicContact CG2-CH2 4.04Å; V384-W448 HydrophobicContact CG2-CZ3 3.43Å; V384-W448 VanDerWaalsContact CG2-CZ3 3.43Å
385W90.4Very high88Confident12 Ų1245 Ų455%0.04523%0.23CC..EExtended strand (participates in β ladder)trans-116.5142.2-176.1-59.389.8000110.5L354 P355 H356 L372 V373 T375 L387 Q395 M396L354-W385 HydrophobicContact CB-CD2 4.08Å; L354-W385 HydrophobicContact CB-CE3 4.22Å; L354-W385 HydrophobicContact CB-CH2 4.36Å; L354-W385 HydrophobicContact CB-CZ2 4.2Å; L354-W385 HydrophobicContact CB-CZ3 4.35Å; L354-W385 HydrophobicContact CD1-CB 3.99Å; L354-W385 HydrophobicContact CD1-CD2 4.08Å; L354-W385 HydrophobicContact CD1-CG 3.75Å; L354-W385 HydrophobicContact CD2-CB 4.46Å; L354-W385 HydrophobicContact CD2-CD2 4.19Å; L354-W385 HydrophobicContact CD2-CE3 3.96Å; L354-W385 HydrophobicContact CD2-CG 4.43Å; L354-W385 HydrophobicContact CG-CD2 4.34Å; L354-W385 HydrophobicContact CG-CE3 4.5Å; L354-W385 HydrophobicContact CG-CG 4.48Å; P355-W385 HydrophobicContact CG-CH2 4.32Å; P355-W385 VanDerWaalsContact O-CH2 3.3Å; P355-W385 WeakPolarHBondContact O-CH2 3.41Å; P355-W385 WeakPolarHBondContact O-CZ2 3.39Å; H356-W385 AromaticContact CD2-CZ2 3.79Å; H356-W385 AromaticContact CE1-NE1 3.95Å; H356-W385 AromaticContact NE2-CE2 3.7Å; H356-W385 AromaticContact NE2-CZ2 3.57Å; H356-W385 AromaticContact NE2-NE1 3.31Å; H356-W385 PolarHBondContact NE2-NE1 3.18Å; L372-W385 WeakPolarHBondContact CA-O 3.5Å; V373-W385 HydrophobicContact CB-CB 4.49Å; V373-W385 PolarHBondContact N-O 3.3Å; V373-W385 PolarHBondContact O-N 3.47Å; T375-W385 PolarHBondContact OG1-NE1 2.92Å; W385-L387 HydrophobicContact CB-CD2 4.47Å; W385-Q395 CarbonylContact C-O 3.59Å; W385-Q395 WeakPolarHBondContact CA-O 3.37Å; W385-M396 HydrophobicContact CD2-CB 4.31Å; W385-M396 HydrophobicContact CE3-CB 3.83Å; W385-M396 HydrophobicContact CH2-CB 4.08Å; W385-M396 HydrophobicContact CH2-SD 4.36Å; W385-M396 HydrophobicContact CZ2-SD 4.33Å; W385-M396 HydrophobicContact CZ3-CB 3.72Å
386R88.4Confident87.7Confident30 Ų3048.9 Ų48.911%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-103.2131167.2179.3-168.4-74.2148.4-13.1109.3N371 L372 D388 V389 Q395 L397 Q440N371-R386 WeakPolarHBondContact O-CA 3.4Å; L372-R386 HydrophobicContact CD2-CB 4.31Å; R386-D388 HydrophobicContact CG-CB 3.92Å; R386-V389 HydrophobicContact CG-CG2 4.34Å; R386-Q395 HydrophobicContact CB-CB 4.47Å; R386-Q395 PolarHBondContact N-O 2.98Å; R386-Q395 PolarHBondContact O-N 3.12Å; R386-L397 HydrophobicContact CB-CD1 3.96Å; R386-L397 HydrophobicContact CB-CD2 4.02Å; R386-L397 HydrophobicContact CB-CG 3.96Å; R386-Q440 PolarHBondContact NH2-O 3.15Å
387L86Confident87.3Confident11 Ų1151.1 Ų51.16%0.05826%0.26CS..  trans-97.7-16.9179.3-52.9-166.3000113.6E340 K352 L354 Y365 N371 V373 W385 V389E340-L387 WeakPolarHBondContact OE1-CD1 3.48Å; K352-L387 HydrophobicContact CD-CB 3.93Å; K352-L387 HydrophobicContact CD-CD2 4.05Å; K352-L387 HydrophobicContact CD-CG 4.39Å; K352-L387 WeakPolarHBondContact CE-O 3.2Å; K352-L387 PolarHBondContact NZ-O 3.33Å; K352-L387 VanDerWaalsContact NZ-O 3.08Å; L354-L387 HydrophobicContact CD1-CD2 4.28Å; L354-L387 HydrophobicContact CD2-CD2 3.73Å; Y365-L387 HydrophobicContact CE1-CD1 4.01Å; N371-L387 PolarHBondContact O-N 3.2Å; V373-L387 HydrophobicContact CG2-CD1 3.69Å; V373-L387 HydrophobicContact CG2-CG 4.1Å; W385-L387 HydrophobicContact CB-CD2 4.47Å; L387-V389 PolarHBondContact O-N 3.41Å
388D80.8Confident86.9Confident93 Ų9354.1 Ų54.150%0.49727%0.274SS..  trans-60.89.5175.3-76.6-41.5000116.5N371 R386N371-D388 HydrophobicContact CB-CB 4.48Å; N371-D388 VanDerWaalsContact CB-CG 3.44Å; N371-D388 WeakPolarHBondContact CB-OD2 3.34Å; N371-D388 PolarHBondContact ND2-OD1 3.4Å; N371-D388 PolarHBondContact ND2-OD2 3Å; R386-D388 HydrophobicContact CG-CB 3.92Å
389V80.7Confident86.8Confident46 Ų4653.9 Ų53.928%0.27928%0.277SS..SBendtrans-107140-179.8-174.20000108.8K352 R386 L387 D391 Q395K352-V389 PolarHBondContact NZ-O 3.21Å; R386-V389 HydrophobicContact CG-CG2 4.34Å; L387-V389 PolarHBondContact O-N 3.41Å; V389-D391 HydrophobicContact CG1-CB 4.26Å; V389-D391 PolarHBondContact O-N 2.89Å; V389-Q395 HydrophobicContact CB-CB 4.33Å; V389-Q395 HydrophobicContact CG2-CB 3.74Å
390D76Confident86.6Confident169 Ų16953 Ų5390%0.90427%0.271SS*.SBendtrans-63.7-8.5-177.7-57.9-61000114.4
391D82.1Confident86.3Confident77 Ų7757.1 Ų57.141%0.41229%0.292SS..  trans-66.8136.3173.2-160.9-25.4000111.4K352 V389 N393 G394K352-D391 PolarHBondContact NZ-O 2.71Å; V389-D391 HydrophobicContact CG1-CB 4.26Å; V389-D391 PolarHBondContact O-N 2.89Å; D391-N393 PolarHBondContact O-N 3.49Å; D391-N393 WeakPolarHBondContact OD1-CB 3.19Å; D391-N393 PolarHBondContact OD1-N 3.26Å; D391-N393 PolarHBondContact OD1-ND2 3.09Å; D391-G394 PolarHBondContact O-N 3.03Å
392V81.8Confident85.6Confident84 Ų8457.6 Ų57.651%0.50930%0.296SS..THydrogen-bonded Turntrans-65.6-29.7172.5-1770000110.6K352 V353 G394K352-V392 CarbonylContact C-O 3.54Å; K352-V392 WeakPolarHBondContact CA-O 3.29Å; K352-V392 WeakPolarHBondContact CB-O 3.11Å; V353-V392 PolarHBondContact N-O 3.45Å; V392-G394 PolarHBondContact O-N 2.89Å
393N84.3Confident85.3Confident74 Ų7458 Ų5840%0.39630%0.298SS..THydrogen-bonded Turntrans-79.1-6.9178.8-55.3-79.3000113.4V353 L354 D391V353-N393 WeakPolarHBondContact O-CA 3.27Å; L354-N393 WeakPolarHBondContact CD2-O 3.46Å; D391-N393 PolarHBondContact O-N 3.49Å; D391-N393 WeakPolarHBondContact OD1-CB 3.19Å; D391-N393 PolarHBondContact OD1-N 3.26Å; D391-N393 PolarHBondContact OD1-ND2 3.09Å
394G85.1Confident84.9Confident8 Ų865.8 Ų65.88%0.08233%0.332CS..  trans63.8-174.6-167.400000112.5D391 V392D391-G394 PolarHBondContact O-N 3.03Å; V392-G394 PolarHBondContact O-N 2.89Å
395Q86.3Confident84.9Confident80 Ų8066.5 Ų66.537%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-119.1114.1174.9-178.617750.400110.7W385 R386 V389 L397W385-Q395 CarbonylContact C-O 3.59Å; W385-Q395 WeakPolarHBondContact CA-O 3.37Å; R386-Q395 HydrophobicContact CB-CB 4.47Å; R386-Q395 PolarHBondContact N-O 2.98Å; R386-Q395 PolarHBondContact O-N 3.12Å; V389-Q395 HydrophobicContact CB-CB 4.33Å; V389-Q395 HydrophobicContact CG2-CB 3.74Å; Q395-L397 HydrophobicContact CG-CD2 4.15Å; Q395-L397 PolarHBondContact O-N 2.77Å
396M88.4Confident84.9Confident81 Ų8168.2 Ų68.240%0.39935%0.345SS..EExtended strand (participates in β ladder)trans-65.1123.3167.2-169.6168.471.800109.1R383 W385 E399R383-M396 HydrophobicContact CB-SD 4.47Å; R383-M396 VanDerWaalsContact CD-SD 3.59Å; R383-M396 HydrophobicContact CG-SD 4.2Å; W385-M396 HydrophobicContact CD2-CB 4.31Å; W385-M396 HydrophobicContact CE3-CB 3.83Å; W385-M396 HydrophobicContact CH2-CB 4.08Å; W385-M396 HydrophobicContact CH2-SD 4.36Å; W385-M396 HydrophobicContact CZ2-SD 4.33Å; W385-M396 HydrophobicContact CZ3-CB 3.72Å; M396-E399 HydrophobicContact CE-CG 3.68Å; M396-E399 HydrophobicContact CG-CG 4.47Å; M396-E399 HydrophobicContact SD-CG 3.57Å; M396-E399 VanDerWaalsContact SD-CG 3.57Å
397L85.4Confident85.1Confident46 Ų4666.8 Ų66.824%0.24134%0.339CS..EExtended strand (participates in β ladder)trans-95.1-39.4179.6-63.8-174.2000112.3L372 V384 R386 Q395 P444L372-L397 HydrophobicContact CD2-CD1 3.72Å; V384-L397 PolarHBondContact O-N 3.15Å; R386-L397 HydrophobicContact CB-CD1 3.96Å; R386-L397 HydrophobicContact CB-CD2 4.02Å; R386-L397 HydrophobicContact CB-CG 3.96Å; Q395-L397 HydrophobicContact CG-CD2 4.15Å; Q395-L397 PolarHBondContact O-N 2.77Å; L397-P444 HydrophobicContact CD1-CG 3.69Å
398Q84.3Confident85.4Confident63 Ų6366.8 Ų66.829%0.29434%0.339SS..EExtended strand (participates in β ladder)trans-160141-172.8-164.8161.7-0.800111.4R383 V384 F400 C445R383-Q398 WeakPolarHBondContact CA-O 3.34Å; V384-Q398 PolarHBondContact N-O 3.49Å; Q398-F400 HydrophobicContact CB-CE2 4.1Å; Q398-F400 HydrophobicContact CB-CZ 4.33Å; Q398-F400 HydrophobicContact CG-CD2 4.3Å; Q398-F400 HydrophobicContact CG-CE1 4.1Å; Q398-F400 HydrophobicContact CG-CE2 3.79Å; Q398-F400 HydrophobicContact CG-CZ 3.67Å; Q398-C445 HydrophobicContact CB-CB 4.46Å; Q398-C445 PolarHBondContact OE1-O 3.22Å
399E89.4Confident86Confident89 Ų8962.4 Ų62.442%0.41632%0.316SS..EExtended strand (participates in β ladder)trans-109.1146.2167.6-53.4-172.511700108.9I382 R383 M396I382-E399 CarbonylContact O-C 3.58Å; I382-E399 WeakPolarHBondContact O-CA 3.2Å; R383-E399 HydrophobicContact CG-CG 4.15Å; R383-E399 IonicContact CZ-OE1 3.12Å; R383-E399 IonicContact NE-OE1 2.72Å; R383-E399 PolarHBondContact NE-OE1 3.5Å; R383-E399 IonicContact NH2-OE1 2.77Å; R383-E399 PolarHBondContact NH2-OE1 2.77Å; M396-E399 HydrophobicContact CE-CG 3.68Å; M396-E399 HydrophobicContact CG-CG 4.47Å; M396-E399 HydrophobicContact SD-CG 3.57Å; M396-E399 VanDerWaalsContact SD-CG 3.57Å
400F87.4Confident86.6Confident21 Ų2160.2 Ų60.29%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-129.3103.4179.7-65.3-84.1000112I382 V384 Q398 T402 W431 W448I382-F400 HydrophobicContact CB-CB 4.39Å; I382-F400 PolarHBondContact N-O 3.38Å; I382-F400 PolarHBondContact O-N 2.7Å; V384-F400 HydrophobicContact CG2-CD2 4.3Å; V384-F400 HydrophobicContact CG2-CE2 3.72Å; Q398-F400 HydrophobicContact CB-CE2 4.1Å; Q398-F400 HydrophobicContact CB-CZ 4.33Å; Q398-F400 HydrophobicContact CG-CD2 4.3Å; Q398-F400 HydrophobicContact CG-CE1 4.1Å; Q398-F400 HydrophobicContact CG-CE2 3.79Å; Q398-F400 HydrophobicContact CG-CZ 3.67Å; F400-T402 HydrophobicContact CB-CG2 4.34Å; F400-T402 PolarHBondContact O-N 2.73Å; F400-W431 HydrophobicContact CB-CH2 3.76Å; F400-W431 HydrophobicContact CB-CZ3 4.21Å; F400-W431 HydrophobicContact CD1-CH2 4.13Å; F400-W431 AromaticContact CD1-CZ3 3.7Å; F400-W431 HydrophobicContact CD1-CZ3 3.7Å; F400-W431 HydrophobicContact CE1-CZ3 4.12Å; F400-W431 AromaticContact CG-CH2 3.99Å; F400-W431 HydrophobicContact CG-CH2 3.99Å; F400-W431 AromaticContact CG-CZ3 3.94Å; F400-W431 HydrophobicContact CG-CZ3 3.94Å; F400-W448 HydrophobicContact CE1-CB 4.38Å; F400-W448 HydrophobicContact CE2-CE3 4.04Å; F400-W448 HydrophobicContact CZ-CB 3.81Å; F400-W448 HydrophobicContact CZ-CE3 4.26Å
401E86.3Confident87.5Confident172 Ų17252.7 Ų52.780%0.80426%0.263SS*.EExtended strand (participates in β ladder)trans-8099.3170.7-169.6-175176.200110.2L381L381-E401 VanDerWaalsContact CD2-CA 3.49Å; L381-E401 HydrophobicContact CD2-CB 3.6Å; L381-E401 HydrophobicContact CD2-CG 3.99Å
402T77.8Confident87.9Confident41 Ų4149.7 Ų49.725%0.25225%0.247SC..  trans-147.3-20.9-171.1550000115.5F400 N429 W431 I450F400-T402 HydrophobicContact CB-CG2 4.34Å; F400-T402 PolarHBondContact O-N 2.73Å; T402-N429 PolarHBondContact O-ND2 2.86Å; T402-W431 HydrophobicContact CG2-CH2 3.52Å; T402-W431 HydrophobicContact CG2-CZ2 4.22Å; T402-W431 HydrophobicContact CG2-CZ3 4.32Å; T402-W431 VanDerWaalsContact OG1-CH2 3.29Å; T402-W431 WeakPolarHBondContact OG1-CH2 3.21Å; T402-W431 VanDerWaalsContact OG1-CZ2 3.27Å; T402-W431 WeakPolarHBondContact OG1-CZ2 3.28Å; T402-I450 HydrophobicContact CG2-CD1 3.85Å
403H86.1Confident88.3Confident8 Ų846.7 Ų46.74%0.03723%0.228CC..  trans-94.8155.7170.4-69.6-64.6000110.4V407 S421 D423 N429H403-V407 HydrophobicContact CB-CG2 4.15Å; H403-S421 PolarHBondContact CE1-O 2.81Å; H403-S421 PolarHBondContact CE1-OG 3.38Å; H403-S421 PolarHBondContact NE2-OG 3.1Å; H403-D423 HydrophobicContact CB-CB 3.98Å; H403-N429 PolarHBondContact CE1-ND2 3.43Å; H403-N429 PolarHBondContact ND1-ND2 3.17Å
404K85Confident88.2Confident176 Ų17652.1 Ų52.177%0.76525%0.248SC*.SBendtrans-105.66.3177.9-65.2-169175-170.60112.4
405S90Very high88.1Confident15 Ų1556.6 Ų56.611%0.10527%0.267CS..SBendtrans-156.3178.7179.974.50000109.5F380 V407 D423 N424 A425F380-S405 VanDerWaalsContact CD1-CA 3.48Å; F380-S405 WeakPolarHBondContact CD1-O 3.37Å; S405-V407 PolarHBondContact O-N 3.16Å; S405-D423 WeakPolarHBondContact OG-CB 3.24Å; S405-D423 PolarHBondContact OG-OD2 3.02Å; S405-N424 WeakPolarHBondContact OG-CA 3.24Å; S405-N424 PolarHBondContact OG-N 2.91Å; S405-A425 WeakPolarHBondContact OG-CB 3.48Å; S405-A425 PolarHBondContact OG-N 2.84Å
406F90.8Very high87.9Confident48 Ų4852.8 Ų52.821%0.21125%0.25CC..  trans-58.2133.7-170.7-41.2-51000112.2Y361 Y378 F380 N408 D423 N424Y361-F406 HydrophobicContact CD2-CB 4.47Å; Y361-F406 HydrophobicContact CE2-CB 4.05Å; Y378-F406 HydrophobicContact CD1-CD1 4.27Å; Y378-F406 HydrophobicContact CD1-CE1 4.08Å; Y378-F406 AromaticContact CD2-CD1 3.47Å; Y378-F406 HydrophobicContact CD2-CD1 3.47Å; Y378-F406 VanDerWaalsContact CD2-CD1 3.47Å; Y378-F406 HydrophobicContact CD2-CD2 4.22Å; Y378-F406 AromaticContact CD2-CE1 3.57Å; Y378-F406 HydrophobicContact CD2-CE1 3.57Å; Y378-F406 HydrophobicContact CD2-CE2 4.31Å; Y378-F406 AromaticContact CD2-CG 3.82Å; Y378-F406 HydrophobicContact CD2-CG 3.82Å; Y378-F406 HydrophobicContact CD2-CZ 4.01Å; Y378-F406 HydrophobicContact CE1-CD1 4.41Å; Y378-F406 AromaticContact CE1-CE1 3.77Å; Y378-F406 HydrophobicContact CE1-CE1 3.77Å; Y378-F406 HydrophobicContact CE1-CZ 4.35Å; Y378-F406 AromaticContact CE2-CD1 3.66Å; Y378-F406 HydrophobicContact CE2-CD1 3.66Å; Y378-F406 HydrophobicContact CE2-CD2 4.1Å; Y378-F406 AromaticContact CE2-CE1 3.24Å; Y378-F406 HydrophobicContact CE2-CE1 3.24Å; Y378-F406 AromaticContact CE2-CE2 3.74Å; Y378-F406 HydrophobicContact CE2-CE2 3.74Å; Y378-F406 HydrophobicContact CE2-CG 4.07Å; Y378-F406 AromaticContact CE2-CZ 3.29Å; Y378-F406 HydrophobicContact CE2-CZ 3.29Å; Y378-F406 AromaticContact CG-CD1 3.8Å; Y378-F406 HydrophobicContact CG-CD1 3.8Å; Y378-F406 AromaticContact CG-CE1 3.98Å; Y378-F406 HydrophobicContact CG-CE1 3.98Å; Y378-F406 HydrophobicContact CG-CG 4.47Å; Y378-F406 AromaticContact CZ-CE1 3.33Å; Y378-F406 AromaticContact CZ-CZ 3.48Å; Y378-F406 VanDerWaalsContact CZ-CZ 3.48Å; Y378-F406 VanDerWaalsContact O-CD1 3.22Å; Y378-F406 WeakPolarHBondContact O-CD1 3.15Å; F380-F406 AromaticContact CD1-CD1 3.87Å; F380-F406 HydrophobicContact CD1-CD1 3.87Å; F380-F406 HydrophobicContact CD1-CE1 4.33Å; F380-F406 AromaticContact CE1-CD1 3.52Å; F380-F406 HydrophobicContact CE1-CD1 3.52Å; F380-F406 AromaticContact CE1-CE1 3.52Å; F380-F406 HydrophobicContact CE1-CE1 3.52Å; F380-F406 HydrophobicContact CZ-CE1 4.36Å; F406-N408 PolarHBondContact O-N 3.22Å; F406-D423 CarbonylContact O-C 3.56Å; F406-D423 VanDerWaalsContact O-CA 3.25Å; F406-D423 WeakPolarHBondContact O-CA 3.4Å; F406-N424 HydrophobicContact CB-CB 4.08Å; F406-N424 HydrophobicContact CD2-CB 3.89Å; F406-N424 HydrophobicContact CG-CB 4.35Å; F406-N424 PolarHBondContact O-N 3.21Å
407V93.7Very high87.8Confident0 Ų056.4 Ų56.40%026%0.259CS..EExtended strand (participates in β ladder)trans-82.997.7177.8-170.70000108.8G376 S377 F380 I382 H403 S405 V410G376-V407 CarbonylContact C-O 3.56Å; S377-V407 PolarHBondContact O-N 3.23Å; F380-V407 WeakPolarHBondContact O-CG2 3.46Å; I382-V407 HydrophobicContact CD1-CG1 4.19Å; I382-V407 HydrophobicContact CG1-CG1 3.96Å; I382-V407 HydrophobicContact CG1-CG2 4.06Å; H403-V407 HydrophobicContact CB-CG2 4.15Å; S405-V407 PolarHBondContact O-N 3.16Å; V407-V410 HydrophobicContact CG1-CG2 4.17Å
408N91.6Very high88Confident11 Ų1159.1 Ų59.16%0.05927%0.266CS..EExtended strand (participates in β ladder)trans-80.3-39.4-172.6-70.7-14.1000112.1F406 A422 N424 I464 R507F406-N408 PolarHBondContact O-N 3.22Å; N408-A422 PolarHBondContact N-O 3.36Å; N408-A422 VanDerWaalsContact N-O 3.15Å; N408-N424 PolarHBondContact ND2-OD1 2.93Å; N408-N424 VanDerWaalsContact ND2-OD1 3.15Å; N408-I464 WeakPolarHBondContact CB-O 3.41Å; N408-I464 PolarHBondContact ND2-O 3.17Å; N408-R507 PolarHBondContact O-NH2 2.62Å
409S92.9Very high88.4Confident1 Ų156.1 Ų56.11%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-147.8141.6-172.7-173.80000113C362 S421 A422 M466 L467C362-S409 VanDerWaalsContact SG-CA 3.59Å; S409-S421 WeakPolarHBondContact O-CA 3.34Å; S409-A422 PolarHBondContact O-N 3.16Å; S409-M466 PolarHBondContact OG-SD 2.9Å; S409-L467 PolarHBondContact OG-N 3.41Å
410V94.6Very high88.6Confident1 Ų152 Ų521%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-129.1140.6174.9173.70000108.5Q364 V374 V407 M419 F420Q364-V410 VanDerWaalsContact CD-O 3.27Å; Q364-V410 PolarHBondContact NE2-O 3.12Å; Q364-V410 VanDerWaalsContact NE2-O 3.16Å; V374-V410 HydrophobicContact CG1-CG1 4.23Å; V407-V410 HydrophobicContact CG1-CG2 4.17Å; V410-M419 HydrophobicContact CG1-CG 3.67Å; V410-M419 HydrophobicContact CG1-SD 3.62Å; V410-F420 CarbonylContact C-O 3.57Å; V410-F420 VanDerWaalsContact CA-O 3.3Å; V410-F420 WeakPolarHBondContact CA-O 3.34Å
411C93.4Very high88.9Confident10 Ų1051 Ų517%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-143.6136.5176.6-177.30000111F420 L467 L469C411-F420 PolarHBondContact N-O 2.82Å; C411-F420 PolarHBondContact O-N 3.5Å; C411-L467 HydrophobicContact CB-CB 4.18Å; C411-L469 PolarHBondContact SG-N 3.07Å
412F91.9Very high89.3Confident15 Ų1542.9 Ų42.97%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-90156.8174.8-78.6-77.8000114.2Q364 Y365 H366 P367 V374 M419 T433 W448Q364-F412 HydrophobicContact CB-CD2 4.11Å; Q364-F412 HydrophobicContact CB-CE2 4.19Å; Y365-F412 WeakPolarHBondContact O-CD2 3.25Å; H366-F412 HydrophobicContact CB-CE1 4.49Å; H366-F412 HydrophobicContact CB-CE2 4.39Å; H366-F412 HydrophobicContact CB-CZ 4.09Å; H366-F412 AromaticContact CD2-CE1 3.47Å; H366-F412 VanDerWaalsContact CD2-CE1 3.47Å; H366-F412 WeakPolarHBondContact CD2-CE1 3.32Å; H366-F412 AromaticContact CD2-CZ 3.85Å; P367-F412 HydrophobicContact CG-CB 3.96Å; P367-F412 HydrophobicContact CG-CG 4.41Å; V374-F412 HydrophobicContact CB-CE2 4.28Å; V374-F412 HydrophobicContact CB-CZ 4.23Å; V374-F412 HydrophobicContact CG2-CE2 4.09Å; V374-F412 HydrophobicContact CG2-CZ 3.59Å; F412-M419 HydrophobicContact CD1-CB 3.82Å; F412-M419 HydrophobicContact CD1-CG 4.09Å; F412-M419 HydrophobicContact CE1-CB 3.71Å; F412-M419 HydrophobicContact CE1-CG 3.86Å; F412-M419 HydrophobicContact CE1-SD 4.01Å; F412-M419 HydrophobicContact CZ-CB 4.48Å; F412-M419 HydrophobicContact CZ-CG 4.16Å; F412-M419 HydrophobicContact CZ-SD 3.87Å; F412-T433 HydrophobicContact CE1-CG2 4.42Å; F412-W448 HydrophobicContact CZ-CH2 4.31Å
413D89.2Confident90Very high21 Ų2140.9 Ų40.911%0.11218%0.178CC..  trans-72.6152.7158.5-163.5-2.8000111P367 E415 G416 R418 L469P367-D413 WeakPolarHBondContact CG-O 3.41Å; D413-E415 PolarHBondContact O-N 2.99Å; D413-E415 VanDerWaalsContact O-N 3.14Å; D413-G416 WeakPolarHBondContact O-CA 3.45Å; D413-G416 PolarHBondContact O-N 3.26Å; D413-R418 HydrophobicContact CB-CB 3.95Å; D413-R418 WeakPolarHBondContact CB-O 3.36Å; D413-R418 PolarHBondContact N-O 2.7Å; D413-L469 HydrophobicContact CB-CD2 4.07Å; D413-L469 WeakPolarHBondContact OD1-CD2 3.41Å
414F83.4Confident90.2Very high187 Ų18742.8 Ų42.882%0.8219%0.188SC*.THydrogen-bonded Turntrans-56.7-35.3-173.4-179.3-99.2000112.5G416F414-G416 VanDerWaalsContact C-N 3.34Å
415E82.1Confident90.4Very high102 Ų10235.9 Ų35.948%0.47716%0.164SC..THydrogen-bonded Turntrans-86.6-1.8178.6-51.4-175.9123.600113.6D413 R417D413-E415 PolarHBondContact O-N 2.99Å; D413-E415 VanDerWaalsContact O-N 3.14Å; E415-R417 HydrophobicContact CB-CG 4.11Å; E415-R417 PolarHBondContact O-N 2.62Å; E415-R417 VanDerWaalsContact O-N 3.07Å; E415-R417 IonicContact OE1-CZ 3.38Å; E415-R417 IonicContact OE1-NE 2.66Å; E415-R417 IonicContact OE1-NH2 2.67Å; E415-R417 PolarHBondContact OE1-NH2 2.97Å; E415-R417 IonicContact OE2-CZ 3.23Å; E415-R417 IonicContact OE2-NE 3.44Å; E415-R417 PolarHBondContact OE2-NE 3.46Å; E415-R417 IonicContact OE2-NH2 2.7Å; E415-R417 PolarHBondContact OE2-NH2 2.91Å
416G83.1Confident90.4Very high1 Ų135.2 Ų35.21%0.0116%0.16CC..SBendtrans69.1-4.6-173.600000115.1H366 D413 F414 R418 T433H366-G416 PolarHBondContact NE2-O 3.43Å; D413-G416 WeakPolarHBondContact O-CA 3.45Å; D413-G416 PolarHBondContact O-N 3.26Å; F414-G416 VanDerWaalsContact C-N 3.34Å; G416-R418 PolarHBondContact O-N 3.17Å; G416-T433 PolarHBondContact O-OG1 2.82Å
417R85.9Confident90.4Very high157 Ų15733.9 Ų33.959%0.59215%0.154SC*.SBendtrans-64.8-22.2-177.1-67.5-161.2-104.7-132.25.9114.3E415 T433E415-R417 HydrophobicContact CB-CG 4.11Å; E415-R417 PolarHBondContact O-N 2.62Å; E415-R417 VanDerWaalsContact O-N 3.07Å; E415-R417 IonicContact OE1-CZ 3.38Å; E415-R417 IonicContact OE1-NE 2.66Å; E415-R417 IonicContact OE1-NH2 2.67Å; E415-R417 PolarHBondContact OE1-NH2 2.97Å; E415-R417 IonicContact OE2-CZ 3.23Å; E415-R417 IonicContact OE2-NE 3.44Å; E415-R417 PolarHBondContact OE2-NE 3.46Å; E415-R417 IonicContact OE2-NH2 2.7Å; E415-R417 PolarHBondContact OE2-NH2 2.91Å; R417-T433 PolarHBondContact O-N 3.26Å; R417-T433 PolarHBondContact O-OG1 3.14Å
418R89.6Confident90.4Very high102 Ų10233.9 Ų33.939%0.38515%0.154SC..EExtended strand (participates in β ladder)trans-131.1153.8174.3-76.4177.3173140.7-5.1111.8D413 G416 F420 W431 T433 E451D413-R418 HydrophobicContact CB-CB 3.95Å; D413-R418 WeakPolarHBondContact CB-O 3.36Å; D413-R418 PolarHBondContact N-O 2.7Å; G416-R418 PolarHBondContact O-N 3.17Å; R418-F420 HydrophobicContact CB-CE2 4.37Å; R418-F420 HydrophobicContact CB-CZ 4.38Å; R418-W431 WeakPolarHBondContact CA-O 3.31Å; R418-T433 VanDerWaalsContact C-OG1 3.28Å; R418-T433 WeakPolarHBondContact CA-OG1 3.24Å; R418-T433 PolarHBondContact N-OG1 3.44Å; R418-E451 IonicContact CZ-OE1 2.72Å; R418-E451 IonicContact CZ-OE2 3.18Å; R418-E451 IonicContact NE-OE1 3.65Å; R418-E451 IonicContact NE-OE2 2.99Å; R418-E451 PolarHBondContact NE-OE2 2.88Å; R418-E451 IonicContact NH2-OE1 2.8Å; R418-E451 PolarHBondContact NH2-OE1 3.37Å; R418-E451 IonicContact NH2-OE2 2.73Å; R418-E451 PolarHBondContact NH2-OE2 3.11Å
419M92.6Very high90.5Very high0 Ų033.4 Ų33.40%015%0.152CC..EExtended strand (participates in β ladder)trans-132.4144.8171-177.4-172.474.100109.6V374 I382 V410 F412 W431 T433 W448V374-M419 HydrophobicContact CB-SD 4.28Å; V374-M419 HydrophobicContact CG1-SD 3.79Å; V374-M419 HydrophobicContact CG2-SD 4.13Å; I382-M419 HydrophobicContact CD1-CE 4.46Å; I382-M419 HydrophobicContact CG2-CE 4.5Å; V410-M419 HydrophobicContact CG1-CG 3.67Å; V410-M419 HydrophobicContact CG1-SD 3.62Å; F412-M419 HydrophobicContact CD1-CB 3.82Å; F412-M419 HydrophobicContact CD1-CG 4.09Å; F412-M419 HydrophobicContact CE1-CB 3.71Å; F412-M419 HydrophobicContact CE1-CG 3.86Å; F412-M419 HydrophobicContact CE1-SD 4.01Å; F412-M419 HydrophobicContact CZ-CB 4.48Å; F412-M419 HydrophobicContact CZ-CG 4.16Å; F412-M419 HydrophobicContact CZ-SD 3.87Å; M419-W431 HydrophobicContact CB-CB 4.19Å; M419-W431 HydrophobicContact CE-CB 4.13Å; M419-W431 VanDerWaalsContact CE-CD1 3.5Å; M419-W431 HydrophobicContact CE-CD2 3.83Å; M419-W431 HydrophobicContact CE-CG 3.58Å; M419-W431 PolarHBondContact N-O 2.95Å; M419-W431 PolarHBondContact O-N 3.42Å; M419-T433 HydrophobicContact CB-CG2 3.72Å; M419-W448 HydrophobicContact SD-CZ3 4.38Å
420F93.8Very high90.4Very high4 Ų433.6 Ų33.62%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-116.5135.1175.9-55.5-87000108.4V410 C411 R418 V430 L467 L469 L476 L490V410-F420 CarbonylContact C-O 3.57Å; V410-F420 VanDerWaalsContact CA-O 3.3Å; V410-F420 WeakPolarHBondContact CA-O 3.34Å; C411-F420 PolarHBondContact N-O 2.82Å; C411-F420 PolarHBondContact O-N 3.5Å; R418-F420 HydrophobicContact CB-CE2 4.37Å; R418-F420 HydrophobicContact CB-CZ 4.38Å; F420-V430 HydrophobicContact CD1-CB 4.42Å; F420-V430 HydrophobicContact CD1-CG1 4.11Å; F420-V430 HydrophobicContact CD1-CG2 3.92Å; F420-V430 HydrophobicContact CE1-CB 4.36Å; F420-V430 HydrophobicContact CE1-CG1 3.67Å; F420-V430 HydrophobicContact CE1-CG2 3.94Å; F420-V430 HydrophobicContact CZ-CG1 4.34Å; F420-L467 HydrophobicContact CB-CD1 3.87Å; F420-L469 HydrophobicContact CD2-CD1 4.44Å; F420-L469 HydrophobicContact CE2-CD1 3.89Å; F420-L469 HydrophobicContact CE2-CD2 4.24Å; F420-L469 HydrophobicContact CZ-CD1 4.29Å; F420-L476 HydrophobicContact CB-CD1 4.35Å; F420-L476 HydrophobicContact CB-CD2 4.45Å; F420-L476 HydrophobicContact CD1-CD2 4.11Å; F420-L476 HydrophobicContact CD2-CD1 4.43Å; F420-L476 HydrophobicContact CG-CD1 4.19Å; F420-L476 HydrophobicContact CG-CD2 4.37Å; F420-L490 HydrophobicContact CD1-CD2 4.3Å; F420-L490 HydrophobicContact CE1-CD1 3.71Å; F420-L490 HydrophobicContact CE1-CD2 3.66Å; F420-L490 HydrophobicContact CE1-CG 4.34Å; F420-L490 HydrophobicContact CE2-CD1 4.26Å; F420-L490 HydrophobicContact CZ-CD1 3.44Å; F420-L490 VanDerWaalsContact CZ-CD1 3.44Å; F420-L490 HydrophobicContact CZ-CD2 4.29Å
421S94.3Very high90.2Very high0 Ų033.7 Ų33.70%015%0.153CC..EExtended strand (participates in β ladder)trans-137129.7177.463.90000110.6H403 S409 I428 N429 W431H403-S421 PolarHBondContact CE1-O 2.81Å; H403-S421 PolarHBondContact CE1-OG 3.38Å; H403-S421 PolarHBondContact NE2-OG 3.1Å; S409-S421 WeakPolarHBondContact O-CA 3.34Å; S421-I428 WeakPolarHBondContact O-CA 3.44Å; S421-N429 PolarHBondContact N-O 2.83Å; S421-N429 PolarHBondContact O-N 2.81Å; S421-N429 PolarHBondContact OG-O 2.88Å; S421-W431 PolarHBondContact OG-NE1 2.78Å
422A93.4Very high90Very high0 Ų038.4 Ų38.40%017%0.173CC..EExtended strand (participates in β ladder)trans-109.9145.4179.200000112.7N408 S409 I427 I428 I464 L467N408-A422 PolarHBondContact N-O 3.36Å; N408-A422 VanDerWaalsContact N-O 3.15Å; S409-A422 PolarHBondContact O-N 3.16Å; A422-I427 WeakPolarHBondContact CA-O 3.15Å; A422-I428 HydrophobicContact CB-CG1 4.15Å; A422-I464 HydrophobicContact CB-CB 3.8Å; A422-I464 HydrophobicContact CB-CD1 3.82Å; A422-I464 HydrophobicContact CB-CG1 4.42Å; A422-I464 HydrophobicContact CB-CG2 3.51Å; A422-L467 HydrophobicContact CB-CD1 3.69Å; A422-L467 HydrophobicContact CB-CD2 3.99Å; A422-L467 HydrophobicContact CB-CG 3.66Å
423D92.1Very high89.4Confident0 Ų037.8 Ų37.80%017%0.17CC..EExtended strand (participates in β ladder)trans-110171.6174.690.1-14.9000114H403 S405 F406 A425 G426 I427H403-D423 HydrophobicContact CB-CB 3.98Å; S405-D423 WeakPolarHBondContact OG-CB 3.24Å; S405-D423 PolarHBondContact OG-OD2 3.02Å; F406-D423 CarbonylContact O-C 3.56Å; F406-D423 VanDerWaalsContact O-CA 3.25Å; F406-D423 WeakPolarHBondContact O-CA 3.4Å; D423-A425 PolarHBondContact O-N 2.95Å; D423-A425 WeakPolarHBondContact OD1-CA 3.3Å; D423-A425 WeakPolarHBondContact OD1-CB 3.46Å; D423-A425 PolarHBondContact OD1-N 2.96Å; D423-G426 PolarHBondContact O-N 2.7Å; D423-G426 PolarHBondContact OD1-N 2.86Å; D423-G426 VanDerWaalsContact OD1-N 3.11Å; D423-I427 PolarHBondContact N-O 2.83Å; D423-I427 WeakPolarHBondContact OD1-CB 3.37Å; D423-I427 PolarHBondContact OD1-N 2.88Å
424N90.8Very high88.5Confident47 Ų4738.5 Ų38.525%0.25118%0.177SC..THydrogen-bonded Turntrans-73.8-1.6178.6-16188.8000113.8S405 F406 N408S405-N424 WeakPolarHBondContact OG-CA 3.24Å; S405-N424 PolarHBondContact OG-N 2.91Å; F406-N424 HydrophobicContact CB-CB 4.08Å; F406-N424 HydrophobicContact CD2-CB 3.89Å; F406-N424 HydrophobicContact CG-CB 4.35Å; F406-N424 PolarHBondContact O-N 3.21Å; N408-N424 PolarHBondContact ND2-OD1 2.93Å; N408-N424 VanDerWaalsContact ND2-OD1 3.15Å
425A89.9Confident87.8Confident32 Ų3231.1 Ų31.126%0.26415%0.147SC..THydrogen-bonded Turntrans-106.44.6177.200000112.7S405 D423 G461S405-A425 WeakPolarHBondContact OG-CB 3.48Å; S405-A425 PolarHBondContact OG-N 2.84Å; D423-A425 PolarHBondContact O-N 2.95Å; D423-A425 WeakPolarHBondContact OD1-CA 3.3Å; D423-A425 WeakPolarHBondContact OD1-CB 3.46Å; D423-A425 PolarHBondContact OD1-N 2.96Å; A425-G461 PolarHBondContact O-N 2.88Å
426G88.5Confident86.8Confident1 Ų129.9 Ų29.91%0.0114%0.144CC..SBendtrans88.810.3176.400000114.9D423 L459 I462D423-G426 PolarHBondContact O-N 2.7Å; D423-G426 PolarHBondContact OD1-N 2.86Å; D423-G426 VanDerWaalsContact OD1-N 3.11Å; G426-L459 WeakPolarHBondContact CA-O 3.41Å; G426-L459 WeakPolarHBondContact O-CB 3.46Å; G426-I462 WeakPolarHBondContact CA-O 3.31Å; G426-I462 PolarHBondContact N-O 3.25Å
427I92.2Very high85.4Confident19 Ų1934.7 Ų34.710%0.09718%0.175CC..  trans-88.3138.7178.8-69.5154.6000109.7A422 D423 K453A422-I427 WeakPolarHBondContact CA-O 3.15Å; D423-I427 PolarHBondContact N-O 2.83Å; D423-I427 WeakPolarHBondContact OD1-CB 3.37Å; D423-I427 PolarHBondContact OD1-N 2.88Å; I427-K453 HydrophobicContact CG2-CD 4.21Å; I427-K453 VanDerWaalsContact CG2-CE 3.48Å; I427-K453 HydrophobicContact CG2-CG 4.16Å
428I93.8Very high83.6Confident0 Ų032.2 Ų32.20%018%0.182CC..EExtended strand (participates in β ladder)trans-118.7116.9168.9-56.5171.2000108.8S421 A422 I454 L459 I464 L467 L476 I478S421-I428 WeakPolarHBondContact O-CA 3.44Å; A422-I428 HydrophobicContact CB-CG1 4.15Å; I428-I454 HydrophobicContact CB-CB 4.2Å; I428-I454 HydrophobicContact CB-CD1 4.48Å; I428-I454 HydrophobicContact CG2-CD1 4.38Å; I428-I454 PolarHBondContact N-O 2.71Å; I428-I454 WeakPolarHBondContact O-CB 3.42Å; I428-I454 PolarHBondContact O-N 3.27Å; I428-L459 HydrophobicContact CD1-CD1 4.44Å; I428-I464 HydrophobicContact CD1-CD1 4.01Å; I428-I464 HydrophobicContact CG1-CD1 3.65Å; I428-L467 HydrophobicContact CD1-CD2 3.87Å; I428-L467 HydrophobicContact CG1-CD2 4.38Å; I428-L467 HydrophobicContact CG2-CD1 4.11Å; I428-L476 HydrophobicContact CD1-CD2 4.22Å; I428-L476 HydrophobicContact CG2-CD2 4.25Å; I428-I478 HydrophobicContact CD1-CD1 3.47Å; I428-I478 VanDerWaalsContact CD1-CD1 3.47Å; I428-I478 HydrophobicContact CD1-CG1 3.72Å; I428-I478 HydrophobicContact CD1-CG2 4.19Å
429N92.5Very high81.7Confident1 Ų134.3 Ų34.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-91.6131170.3-68.1-19.9000109.1T402 H403 S421 W431 K453T402-N429 PolarHBondContact O-ND2 2.86Å; H403-N429 PolarHBondContact CE1-ND2 3.43Å; H403-N429 PolarHBondContact ND1-ND2 3.17Å; S421-N429 PolarHBondContact N-O 2.83Å; S421-N429 PolarHBondContact O-N 2.81Å; S421-N429 PolarHBondContact OG-O 2.88Å; N429-W431 HydrophobicContact CB-CZ2 4.48Å; N429-K453 WeakPolarHBondContact OD1-CG 3.31Å
430V92.3Very high79.7Confident5 Ų540.6 Ų40.63%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-100.5128.2171.4-172.30000108.2F420 I450 E451 M452 I454F420-V430 HydrophobicContact CD1-CB 4.42Å; F420-V430 HydrophobicContact CD1-CG1 4.11Å; F420-V430 HydrophobicContact CD1-CG2 3.92Å; F420-V430 HydrophobicContact CE1-CB 4.36Å; F420-V430 HydrophobicContact CE1-CG1 3.67Å; F420-V430 HydrophobicContact CE1-CG2 3.94Å; F420-V430 HydrophobicContact CZ-CG1 4.34Å; V430-I450 CarbonylContact O-C 3.58Å; V430-I450 WeakPolarHBondContact O-CA 3.42Å; V430-E451 PolarHBondContact O-N 2.93Å; V430-M452 HydrophobicContact CB-CB 4.18Å; V430-M452 HydrophobicContact CG2-CB 4.32Å; V430-M452 HydrophobicContact CG2-CE 4.03Å; V430-M452 PolarHBondContact N-O 3.45Å; V430-M452 PolarHBondContact O-N 2.8Å; V430-I454 HydrophobicContact CG2-CD1 3.74Å; V430-I454 HydrophobicContact CG2-CG1 4.22Å
431W90.4Very high77.5Confident3 Ų351.8 Ų51.81%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-117.3142.9-175.1-54.675.4000110.6I382 F400 T402 R418 M419 S421 N429 T433 S449 I450I382-W431 HydrophobicContact CD1-CZ2 3.82Å; F400-W431 HydrophobicContact CB-CH2 3.76Å; F400-W431 HydrophobicContact CB-CZ3 4.21Å; F400-W431 HydrophobicContact CD1-CH2 4.13Å; F400-W431 AromaticContact CD1-CZ3 3.7Å; F400-W431 HydrophobicContact CD1-CZ3 3.7Å; F400-W431 HydrophobicContact CE1-CZ3 4.12Å; F400-W431 AromaticContact CG-CH2 3.99Å; F400-W431 HydrophobicContact CG-CH2 3.99Å; F400-W431 AromaticContact CG-CZ3 3.94Å; F400-W431 HydrophobicContact CG-CZ3 3.94Å; T402-W431 HydrophobicContact CG2-CH2 3.52Å; T402-W431 HydrophobicContact CG2-CZ2 4.22Å; T402-W431 HydrophobicContact CG2-CZ3 4.32Å; T402-W431 VanDerWaalsContact OG1-CH2 3.29Å; T402-W431 WeakPolarHBondContact OG1-CH2 3.21Å; T402-W431 VanDerWaalsContact OG1-CZ2 3.27Å; T402-W431 WeakPolarHBondContact OG1-CZ2 3.28Å; R418-W431 WeakPolarHBondContact CA-O 3.31Å; M419-W431 HydrophobicContact CB-CB 4.19Å; M419-W431 HydrophobicContact CE-CB 4.13Å; M419-W431 VanDerWaalsContact CE-CD1 3.5Å; M419-W431 HydrophobicContact CE-CD2 3.83Å; M419-W431 HydrophobicContact CE-CG 3.58Å; M419-W431 PolarHBondContact N-O 2.95Å; M419-W431 PolarHBondContact O-N 3.42Å; S421-W431 PolarHBondContact OG-NE1 2.78Å; N429-W431 HydrophobicContact CB-CZ2 4.48Å; W431-T433 HydrophobicContact CB-CG2 4.12Å; W431-S449 CarbonylContact C-O 3.46Å; W431-S449 VanDerWaalsContact CA-O 3.27Å; W431-S449 WeakPolarHBondContact CA-O 3.4Å; W431-I450 HydrophobicContact CD2-CG1 4.05Å; W431-I450 HydrophobicContact CE3-CG1 3.86Å; W431-I450 HydrophobicContact CH2-CD1 4.35Å; W431-I450 HydrophobicContact CH2-CG1 4.09Å; W431-I450 HydrophobicContact CZ2-CD1 4.48Å; W431-I450 HydrophobicContact CZ2-CG1 4.24Å; W431-I450 HydrophobicContact CZ3-CG1 3.89Å
432K87.4Confident75.3Confident110 Ų11059.1 Ų59.148%0.47830%0.299SS..EExtended strand (participates in β ladder)trans-90.7115.7165.4-176.4175.1-178.5176.60108.6W448 S449 E451K432-W448 WeakPolarHBondContact O-CA 3.41Å; K432-S449 PolarHBondContact N-O 2.82Å; K432-S449 PolarHBondContact O-N 3.49Å; K432-E451 HydrophobicContact CB-CB 4.44Å
433T80.3Confident73.4Confident1 Ų164 Ų641%0.00633%0.325CS..  trans-115.963.3-172.1430000110.7F412 G416 R417 R418 M419 W431 V435 W448F412-T433 HydrophobicContact CE1-CG2 4.42Å; G416-T433 PolarHBondContact O-OG1 2.82Å; R417-T433 PolarHBondContact O-N 3.26Å; R417-T433 PolarHBondContact O-OG1 3.14Å; R418-T433 VanDerWaalsContact C-OG1 3.28Å; R418-T433 WeakPolarHBondContact CA-OG1 3.24Å; R418-T433 PolarHBondContact N-OG1 3.44Å; M419-T433 HydrophobicContact CB-CG2 3.72Å; W431-T433 HydrophobicContact CB-CG2 4.12Å; T433-V435 PolarHBondContact O-N 3.1Å; T433-V435 VanDerWaalsContact O-N 3.1Å; T433-W448 HydrophobicContact CG2-CD2 3.65Å; T433-W448 HydrophobicContact CG2-CE3 3.73Å; T433-W448 HydrophobicContact CG2-CG 4.16Å; T433-W448 HydrophobicContact CG2-CH2 4.18Å; T433-W448 HydrophobicContact CG2-CZ2 4.11Å; T433-W448 HydrophobicContact CG2-CZ3 3.99Å
434S70.6Confident71.7Confident37 Ų3764.7 Ų64.726%0.25933%0.33SS..  trans-7895179.455.10000111.9Q447S434-Q447 WeakPolarHBondContact OG-CB 3.38Å; S434-Q447 PolarHBondContact OG-OE1 3.47Å
435V68.7Low70.2Confident32 Ų3262.6 Ų62.619%0.19432%0.319CS..  trans-88.2121.3171178.90000109.9A369 L372 T433 P437 P444 W448A369-V435 HydrophobicContact CB-CG1 4.04Å; L372-V435 HydrophobicContact CD1-CG1 3.95Å; L372-V435 HydrophobicContact CD1-CG2 3.9Å; T433-V435 PolarHBondContact O-N 3.1Å; T433-V435 VanDerWaalsContact O-N 3.1Å; V435-P437 WeakPolarHBondContact O-CD 3.4Å; V435-P444 HydrophobicContact CG1-CB 4.14Å; V435-W448 HydrophobicContact CG2-CZ2 3.93Å
436N60.9Low68.5Low76 Ų7668 Ų6841%0.40634%0.339SS..  trans-89.9113.1175.8-74.1-65.1000110.7S438 K439 Q447N436-S438 PolarHBondContact O-N 3.37Å; N436-K439 PolarHBondContact O-N 2.54Å; N436-Q447 PolarHBondContact ND2-OE1 2.9Å
437P53.5Low67.2Low102 Ų10273.2 Ų73.266%0.66236%0.363SS*.G310 helixtrans-66.1-25.1-175.426.2-34.7000113.2V435 K439V435-P437 WeakPolarHBondContact O-CD 3.4Å; P437-K439 PolarHBondContact O-N 2.87Å
438S47.3Very low66.6Low105 Ų10573 Ų7373%0.73436%0.361SS*.G310 helixtrans-71.7-5.3179.854.40000115.2N436N436-S438 PolarHBondContact O-N 3.37Å
439K50.5Low66Low145 Ų14575.9 Ų75.963%0.6338%0.381SS*.G310 helixtrans-127.233.6-177.8-67.6-167.2176.3-173.90114.4N436 P437 R441 Q442N436-K439 PolarHBondContact O-N 2.54Å; P437-K439 PolarHBondContact O-N 2.87Å; K439-R441 PolarHBondContact O-N 3.12Å; K439-Q442 PolarHBondContact O-N 2.79Å
440Q50Low65.6Low132 Ų13279.4 Ų79.462%0.61740%0.399SS*.THydrogen-bonded Turntrans-42.9-35177.9-78.8172-23.400114.9R386R386-Q440 PolarHBondContact NH2-O 3.15Å
441R49.1Very low65.1Low240 Ų24083.6 Ų83.691%0.90642%0.418SS*.THydrogen-bonded Turntrans-80.2-12.3-177.4-65.6-176.3176.6178.1-1.9116K439K439-R441 PolarHBondContact O-N 3.12Å
442Q47.4Very low64.9Low154 Ų15486.8 Ų86.872%0.7243%0.434SS*.SBendtrans-140.7116.7178.3-73.5-175.4-13.800112.4K439K439-Q442 PolarHBondContact O-N 2.79Å
443N53.2Low65Low102 Ų10286.2 Ų86.255%0.54543%0.431SS..  trans40.463.6165.7-58.52.8000117.5C445 Q446N443-C445 PolarHBondContact O-N 2.7Å; N443-C445 VanDerWaalsContact O-N 3.11Å; N443-Q446 HydrophobicContact CB-CB 4.07Å; N443-Q446 VanDerWaalsContact CB-OE1 3.29Å; N443-Q446 PolarHBondContact ND2-OE1 3.37Å; N443-Q446 PolarHBondContact O-N 2.98Å
444P57.4Low65.3Low15 Ų1586.3 Ų86.310%0.09743%0.432CS..THydrogen-bonded Turntrans-64-16.2179.927.3-35.9000114.7L372 L397 V435L372-P444 HydrophobicContact CD1-CB 4.17Å; L372-P444 HydrophobicContact CD1-CG 4.22Å; L372-P444 HydrophobicContact CD2-CG 4.12Å; L397-P444 HydrophobicContact CD1-CG 3.69Å; V435-P444 HydrophobicContact CG1-CB 4.14Å
445C58.6Low66Low3 Ų387.7 Ų87.72%0.0244%0.436CS..THydrogen-bonded Turntrans-93.6-9.1-177.4-54.10000114.2V384 Q398 N443 Q447 W448V384-C445 VanDerWaalsContact CG1-SG 3.55Å; Q398-C445 HydrophobicContact CB-CB 4.46Å; Q398-C445 PolarHBondContact OE1-O 3.22Å; N443-C445 PolarHBondContact O-N 2.7Å; N443-C445 VanDerWaalsContact O-N 3.11Å; C445-Q447 PolarHBondContact O-N 2.94Å; C445-W448 HydrophobicContact CB-CD2 4.47Å; C445-W448 HydrophobicContact CB-CG 4.49Å; C445-W448 WeakPolarHBondContact O-CB 3.28Å; C445-W448 PolarHBondContact O-N 2.94Å
446Q53.4Low66.8Low146 Ų14688.1 Ų88.168%0.68244%0.436SS*.THydrogen-bonded Turntrans-68-1-167.9-167.6167.4-9.700115.1N443N443-Q446 HydrophobicContact CB-CB 4.07Å; N443-Q446 VanDerWaalsContact CB-OE1 3.29Å; N443-Q446 PolarHBondContact ND2-OE1 3.37Å; N443-Q446 PolarHBondContact O-N 2.98Å
447Q61.5Low67.8Low110 Ų11088.7 Ų88.751%0.51445%0.446SS..THydrogen-bonded Turntrans-109.11.7173.5-65.4-174.3-26.300113.6S434 N436 C445 S449S434-Q447 WeakPolarHBondContact OG-CB 3.38Å; S434-Q447 PolarHBondContact OG-OE1 3.47Å; N436-Q447 PolarHBondContact ND2-OE1 2.9Å; C445-Q447 PolarHBondContact O-N 2.94Å; Q447-S449 PolarHBondContact O-N 3.17Å
448W80.5Confident69.1Low15 Ų1586.9 Ų86.96%0.05743%0.431CS..  trans-73.6125.2-177.2-71.525.2000110.8V374 V384 F400 F412 M419 K432 T433 V435 C445V374-W448 HydrophobicContact CG2-CH2 3.5Å; V374-W448 HydrophobicContact CG2-CZ3 3.61Å; V384-W448 HydrophobicContact CB-CZ3 4.48Å; V384-W448 HydrophobicContact CG1-CH2 3.94Å; V384-W448 HydrophobicContact CG1-CZ3 4.21Å; V384-W448 HydrophobicContact CG2-CE3 3.89Å; V384-W448 HydrophobicContact CG2-CH2 4.04Å; V384-W448 HydrophobicContact CG2-CZ3 3.43Å; V384-W448 VanDerWaalsContact CG2-CZ3 3.43Å; F400-W448 HydrophobicContact CE1-CB 4.38Å; F400-W448 HydrophobicContact CE2-CE3 4.04Å; F400-W448 HydrophobicContact CZ-CB 3.81Å; F400-W448 HydrophobicContact CZ-CE3 4.26Å; F412-W448 HydrophobicContact CZ-CH2 4.31Å; M419-W448 HydrophobicContact SD-CZ3 4.38Å; K432-W448 WeakPolarHBondContact O-CA 3.41Å; T433-W448 HydrophobicContact CG2-CD2 3.65Å; T433-W448 HydrophobicContact CG2-CE3 3.73Å; T433-W448 HydrophobicContact CG2-CG 4.16Å; T433-W448 HydrophobicContact CG2-CH2 4.18Å; T433-W448 HydrophobicContact CG2-CZ2 4.11Å; T433-W448 HydrophobicContact CG2-CZ3 3.99Å; V435-W448 HydrophobicContact CG2-CZ2 3.93Å; C445-W448 HydrophobicContact CB-CD2 4.47Å; C445-W448 HydrophobicContact CB-CG 4.49Å; C445-W448 WeakPolarHBondContact O-CB 3.28Å; C445-W448 PolarHBondContact O-N 2.94Å
449S81Confident71Confident60 Ų6082 Ų8242%0.4240%0.396SS..EExtended strand (participates in β ladder)trans-144.2156.6-177.763.10000111.7W431 K432 Q447 E451W431-S449 CarbonylContact C-O 3.46Å; W431-S449 VanDerWaalsContact CA-O 3.27Å; W431-S449 WeakPolarHBondContact CA-O 3.4Å; K432-S449 PolarHBondContact N-O 2.82Å; K432-S449 PolarHBondContact O-N 3.49Å; Q447-S449 PolarHBondContact O-N 3.17Å; S449-E451 PolarHBondContact O-N 3.43Å
450I82.9Confident72.6Confident74 Ų7482.5 Ų82.538%0.37940%0.395SS..EExtended strand (participates in β ladder)trans-72.4120170.2-63.3173.8000107.9T402 V430 W431T402-I450 HydrophobicContact CG2-CD1 3.85Å; V430-I450 CarbonylContact O-C 3.58Å; V430-I450 WeakPolarHBondContact O-CA 3.42Å; W431-I450 HydrophobicContact CD2-CG1 4.05Å; W431-I450 HydrophobicContact CE3-CG1 3.86Å; W431-I450 HydrophobicContact CH2-CD1 4.35Å; W431-I450 HydrophobicContact CH2-CG1 4.09Å; W431-I450 HydrophobicContact CZ2-CD1 4.48Å; W431-I450 HydrophobicContact CZ2-CG1 4.24Å; W431-I450 HydrophobicContact CZ3-CG1 3.89Å
451E83.2Confident74.2Confident94 Ų9479.1 Ų79.144%0.43940%0.395SS..EExtended strand (participates in β ladder)trans-81.8-40.3172.9-176.6177.7-178.900110.7R418 V430 K432 S449R418-E451 IonicContact CZ-OE1 2.72Å; R418-E451 IonicContact CZ-OE2 3.18Å; R418-E451 IonicContact NE-OE1 3.65Å; R418-E451 IonicContact NE-OE2 2.99Å; R418-E451 PolarHBondContact NE-OE2 2.88Å; R418-E451 IonicContact NH2-OE1 2.8Å; R418-E451 PolarHBondContact NH2-OE1 3.37Å; R418-E451 IonicContact NH2-OE2 2.73Å; R418-E451 PolarHBondContact NH2-OE2 3.11Å; V430-E451 PolarHBondContact O-N 2.93Å; K432-E451 HydrophobicContact CB-CB 4.44Å; S449-E451 PolarHBondContact O-N 3.43Å
452M84.8Confident76.2Confident69 Ų6969.6 Ų69.634%0.3436%0.361SS..EExtended strand (participates in β ladder)trans-155.2148.1-177.5-179.5168.460.800110.9V430 I454 L493V430-M452 HydrophobicContact CB-CB 4.18Å; V430-M452 HydrophobicContact CG2-CB 4.32Å; V430-M452 HydrophobicContact CG2-CE 4.03Å; V430-M452 PolarHBondContact N-O 3.45Å; V430-M452 PolarHBondContact O-N 2.8Å; M452-I454 HydrophobicContact CE-CD1 4.17Å; M452-I454 HydrophobicContact CE-CG1 4.09Å; M452-I454 HydrophobicContact CG-CG1 4.44Å; M452-L493 HydrophobicContact CE-CD1 4.49Å; M452-L493 HydrophobicContact CE-CD2 4.02Å; M452-L493 HydrophobicContact SD-CD1 4.23Å
453K89.3Confident78.2Confident98 Ų9863.7 Ų63.743%0.42634%0.337SS..EExtended strand (participates in β ladder)trans-113125.9167.9173.2164.9176.91440109.6I427 N429I427-K453 HydrophobicContact CG2-CD 4.21Å; I427-K453 VanDerWaalsContact CG2-CE 3.48Å; I427-K453 HydrophobicContact CG2-CG 4.16Å; N429-K453 WeakPolarHBondContact OD1-CG 3.31Å
454I87.8Confident80Confident4 Ų458.9 Ų58.92%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-101116.8177.2-55.4168.8000107.3I428 V430 M452 E456 M488 L493I428-I454 HydrophobicContact CB-CB 4.2Å; I428-I454 HydrophobicContact CB-CD1 4.48Å; I428-I454 HydrophobicContact CG2-CD1 4.38Å; I428-I454 PolarHBondContact N-O 2.71Å; I428-I454 WeakPolarHBondContact O-CB 3.42Å; I428-I454 PolarHBondContact O-N 3.27Å; V430-I454 HydrophobicContact CG2-CD1 3.74Å; V430-I454 HydrophobicContact CG2-CG1 4.22Å; M452-I454 HydrophobicContact CE-CD1 4.17Å; M452-I454 HydrophobicContact CE-CG1 4.09Å; M452-I454 HydrophobicContact CG-CG1 4.44Å; I454-E456 HydrophobicContact CG2-CG 3.88Å; I454-M488 HydrophobicContact CD1-SD 4.09Å; I454-M488 HydrophobicContact CG2-CE 3.97Å; I454-M488 HydrophobicContact CG2-SD 4.17Å; I454-L493 HydrophobicContact CD1-CD2 3.92Å; I454-L493 HydrophobicContact CG1-CD2 4.24Å
455D85.1Confident81.6Confident65 Ų6558.3 Ų58.335%0.34831%0.307SS..  trans-133.774.2178.4172.216.5000107.7R460D455-R460 IonicContact OD1-CZ 3.22Å; D455-R460 VanDerWaalsContact OD1-CZ 3.23Å; D455-R460 IonicContact OD1-NE 3.95Å; D455-R460 PolarHBondContact OD1-NE 3.06Å; D455-R460 IonicContact OD1-NH2 3.1Å; D455-R460 PolarHBondContact OD1-NH2 2.85Å; D455-R460 IonicContact OD2-CZ 3.99Å; D455-R460 IonicContact OD2-NE 3.98Å; D455-R460 IonicContact OD2-NH2 3Å; D455-R460 PolarHBondContact OD2-NH2 3.1Å
456E85.5Confident83.2Confident41 Ų4159.3 Ų59.319%0.19231%0.312CS..  trans-82.2140.6-179.8-70.3-62.7152.600110.9K77 I454 D458 L459 R460 M488 I495K77-E456 IonicContact NZ-OE1 2.87Å; I454-E456 HydrophobicContact CG2-CG 3.88Å; E456-D458 PolarHBondContact O-N 3.39Å; E456-D458 VanDerWaalsContact O-N 3.1Å; E456-L459 PolarHBondContact O-N 2.89Å; E456-R460 PolarHBondContact O-N 3.12Å; E456-M488 HydrophobicContact CG-CE 3.97Å; E456-I495 HydrophobicContact CG-CD1 4.45Å
457S80.9Confident85.1Confident89 Ų8952.4 Ų52.462%0.62228%0.279SS*.THydrogen-bonded Turntrans-51.9-36.7179.947.10000113L459S457-L459 PolarHBondContact O-N 3.02Å
458D82.6Confident86.6Confident64 Ų6449.5 Ų49.534%0.34227%0.266SS..THydrogen-bonded Turntrans-79.7-1.8-173.1-69.736.1000113.4E456 R486 K497E456-D458 PolarHBondContact O-N 3.39Å; E456-D458 VanDerWaalsContact O-N 3.1Å; D458-R486 PolarHBondContact O-NH2 3.16Å; D458-K497 WeakPolarHBondContact OD2-CE 3.44Å; D458-K497 IonicContact OD2-NZ 2.66Å; D458-K497 PolarHBondContact OD2-NZ 2.9Å
459L86.1Confident87.2Confident1 Ų149.7 Ų49.71%0.00527%0.268CS..THydrogen-bonded Turntrans-121-23.1175.6-76.1169.6000112.6G426 I428 E456 S457 G461 I462 I464 I478 A480G426-L459 WeakPolarHBondContact CA-O 3.41Å; G426-L459 WeakPolarHBondContact O-CB 3.46Å; I428-L459 HydrophobicContact CD1-CD1 4.44Å; E456-L459 PolarHBondContact O-N 2.89Å; S457-L459 PolarHBondContact O-N 3.02Å; L459-G461 PolarHBondContact O-N 3.13Å; L459-G461 VanDerWaalsContact O-N 3.16Å; L459-I462 WeakPolarHBondContact O-CB 3.2Å; L459-I462 PolarHBondContact O-N 3Å; L459-I464 HydrophobicContact CD1-CD1 4.46Å; L459-I464 HydrophobicContact CD2-CG1 4.33Å; L459-I478 HydrophobicContact CD1-CD1 4.23Å; L459-I478 HydrophobicContact CD1-CG2 4.31Å; L459-I478 HydrophobicContact CD2-CG2 4.21Å; L459-A480 HydrophobicContact CD2-CB 4.06Å
460R85.1Confident87.7Confident157 Ų15747.4 Ų47.459%0.59225%0.25SS*.THydrogen-bonded Turntrans-56.5118.2-172.9-172.9178.8-65.1173.93112.6D455 E456D455-R460 IonicContact OD1-CZ 3.22Å; D455-R460 VanDerWaalsContact OD1-CZ 3.23Å; D455-R460 IonicContact OD1-NE 3.95Å; D455-R460 PolarHBondContact OD1-NE 3.06Å; D455-R460 IonicContact OD1-NH2 3.1Å; D455-R460 PolarHBondContact OD1-NH2 2.85Å; D455-R460 IonicContact OD2-CZ 3.99Å; D455-R460 IonicContact OD2-NE 3.98Å; D455-R460 IonicContact OD2-NH2 3Å; D455-R460 PolarHBondContact OD2-NH2 3.1Å; E456-R460 PolarHBondContact O-N 3.12Å
461G83.4Confident87.8Confident60 Ų6047.6 Ų47.662%0.61926%0.256SS*.THydrogen-bonded Turntrans87.7-2.5-177.300000114.9A425 L459A425-G461 PolarHBondContact O-N 2.88Å; L459-G461 PolarHBondContact O-N 3.13Å; L459-G461 VanDerWaalsContact O-N 3.16Å
462I89.6Confident87.7Confident40 Ų4045.6 Ų45.621%0.20525%0.249CC..SBendtrans-99.9123.3178.7-48.1178.7000109.2G426 L459 I464 A480 D482G426-I462 WeakPolarHBondContact CA-O 3.31Å; G426-I462 PolarHBondContact N-O 3.25Å; L459-I462 WeakPolarHBondContact O-CB 3.2Å; L459-I462 PolarHBondContact O-N 3Å; I462-I464 PolarHBondContact O-N 3.25Å; I462-A480 HydrophobicContact CG2-CB 3.84Å; I462-D482 HydrophobicContact CD1-CB 4.18Å; I462-D482 HydrophobicContact CG2-CB 3.97Å
463P89.5Confident87.7Confident31 Ų3143.7 Ų43.720%0.20125%0.247CC..PPolyproline II helixtrans-59.3124.2174.8-27.336.1000112.8A480 K481P463-A480 CarbonylContact O-C 3.52Å; P463-A480 VanDerWaalsContact O-CA 3.29Å; P463-A480 WeakPolarHBondContact O-CA 3.14Å; P463-K481 HydrophobicContact CB-CB 4.34Å; P463-K481 HydrophobicContact CB-CD 4.06Å; P463-K481 HydrophobicContact CB-CG 4.12Å; P463-K481 HydrophobicContact CG-CD 4.41Å; P463-K481 PolarHBondContact O-N 3.04Å
464I92.3Very high87.4Confident0 Ų042.3 Ų42.30%024%0.239CC..EExtended strand (participates in β ladder)trans-84.2124.2168.7-62.6166.3000108.2N408 A422 I428 L459 I462 L467 I478N408-I464 WeakPolarHBondContact CB-O 3.41Å; N408-I464 PolarHBondContact ND2-O 3.17Å; A422-I464 HydrophobicContact CB-CB 3.8Å; A422-I464 HydrophobicContact CB-CD1 3.82Å; A422-I464 HydrophobicContact CB-CG1 4.42Å; A422-I464 HydrophobicContact CB-CG2 3.51Å; I428-I464 HydrophobicContact CD1-CD1 4.01Å; I428-I464 HydrophobicContact CG1-CD1 3.65Å; L459-I464 HydrophobicContact CD1-CD1 4.46Å; L459-I464 HydrophobicContact CD2-CG1 4.33Å; I462-I464 PolarHBondContact O-N 3.25Å; I464-L467 HydrophobicContact CG2-CD2 4.05Å; I464-I478 HydrophobicContact CD1-CG2 4.1Å; I464-I478 HydrophobicContact CG1-CG2 4.03Å; I464-I478 HydrophobicContact CG2-CG2 3.91Å
465N90.8Very high87.5Confident4 Ų442.3 Ų42.32%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-85.3-39.6179.9-87.3-32000112.6H479 K481 N503 E506 R507N465-H479 PolarHBondContact N-O 2.97Å; N465-K481 VanDerWaalsContact ND2-CG 3.35Å; N465-K481 WeakPolarHBondContact ND2-CG 3.49Å; N465-K481 WeakPolarHBondContact OD1-CE 3.39Å; N465-N503 PolarHBondContact ND2-ND2 3.3Å; N465-N503 PolarHBondContact ND2-OD1 3.33Å; N465-N503 VanDerWaalsContact ND2-OD1 3.15Å; N465-E506 PolarHBondContact ND2-O 2.76Å; N465-R507 HydrophobicContact CB-CG 4.17Å; N465-R507 PolarHBondContact O-NE 2.89Å; N465-R507 PolarHBondContact O-NH2 2.79Å
466M91.3Very high87.9Confident24 Ų2439.2 Ų39.212%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-153.5139.6-171.6-174.157177.500111.6S409 H479 Y509S409-M466 PolarHBondContact OG-SD 2.9Å; M466-H479 HydrophobicContact CB-CB 4.33Å; M466-H479 PolarHBondContact N-O 2.98Å; M466-H479 PolarHBondContact O-N 3.21Å; M466-Y509 HydrophobicContact CE-CD1 3.88Å; M466-Y509 HydrophobicContact CE-CE1 3.94Å; M466-Y509 HydrophobicContact CG-CD1 4.08Å; M466-Y509 HydrophobicContact CG-CE1 4.47Å; M466-Y509 HydrophobicContact SD-CD1 3.72Å; M466-Y509 HydrophobicContact SD-CE1 3.58Å; M466-Y509 VanDerWaalsContact SD-CE1 3.58Å
467L94.3Very high88.3Confident0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-112.5137.4163.5-67-171.7000110.1S409 C411 F420 A422 I428 I464 L476 L477 I478S409-L467 PolarHBondContact OG-N 3.41Å; C411-L467 HydrophobicContact CB-CB 4.18Å; F420-L467 HydrophobicContact CB-CD1 3.87Å; A422-L467 HydrophobicContact CB-CD1 3.69Å; A422-L467 HydrophobicContact CB-CD2 3.99Å; A422-L467 HydrophobicContact CB-CG 3.66Å; I428-L467 HydrophobicContact CD1-CD2 3.87Å; I428-L467 HydrophobicContact CG1-CD2 4.38Å; I428-L467 HydrophobicContact CG2-CD1 4.11Å; I464-L467 HydrophobicContact CG2-CD2 4.05Å; L467-L476 HydrophobicContact CB-CD1 4.37Å; L467-L476 HydrophobicContact CD1-CD2 4.47Å; L467-L476 HydrophobicContact CD2-CD2 4.14Å; L467-L476 HydrophobicContact CD2-CG 4.39Å; L467-L477 WeakPolarHBondContact CA-O 3.27Å; L467-I478 HydrophobicContact CD2-CB 4.24Å; L467-I478 HydrophobicContact CD2-CG1 3.82Å; L467-I478 HydrophobicContact CD2-CG2 4.15Å
468Q93.4Very high88.9Confident49 Ų4933.1 Ų33.123%0.22919%0.185CC..EExtended strand (participates in β ladder)trans-141.1130.1165.9-164.1-165.818.300110.3L477Q468-L477 HydrophobicContact CB-CB 4.44Å; Q468-L477 PolarHBondContact N-O 3.46Å; Q468-L477 WeakPolarHBondContact O-CB 3.47Å; Q468-L477 PolarHBondContact O-N 3.37Å
469L92.9Very high89.3Confident19 Ų1930.1 Ų30.110%0.09917%0.169CC..EExtended strand (participates in β ladder)trans-74139.6171.9-16368.9000110.6C411 D413 F420 C475 L476 L490C411-L469 PolarHBondContact SG-N 3.07Å; D413-L469 HydrophobicContact CB-CD2 4.07Å; D413-L469 WeakPolarHBondContact OD1-CD2 3.41Å; F420-L469 HydrophobicContact CD2-CD1 4.44Å; F420-L469 HydrophobicContact CE2-CD1 3.89Å; F420-L469 HydrophobicContact CE2-CD2 4.24Å; F420-L469 HydrophobicContact CZ-CD1 4.29Å; L469-C475 WeakPolarHBondContact CD1-O 3.31Å; L469-L476 HydrophobicContact CD1-CD1 4.24Å; L469-L490 HydrophobicContact CD1-CD1 3.51Å
470H90.5Very high89.6Confident12 Ų1230.1 Ų30.16%0.05617%0.169CC..  trans-67.6145.4173.4-173.8-70.7000110N472 G473 C475 F512 G516H470-N472 PolarHBondContact CE1-ND2 3.02Å; H470-N472 PolarHBondContact ND1-N 3.23Å; H470-N472 PolarHBondContact ND1-ND2 3.45Å; H470-N472 PolarHBondContact ND1-OD1 3.17Å; H470-N472 VanDerWaalsContact ND1-OD1 3.12Å; H470-N472 PolarHBondContact O-N 2.93Å; H470-G473 PolarHBondContact O-N 3.31Å; H470-C475 HydrophobicContact CB-CB 3.79Å; H470-C475 WeakPolarHBondContact CB-O 3.41Å; H470-C475 PolarHBondContact N-O 3.32Å; H470-F512 VanDerWaalsContact CA-CE2 3.45Å; H470-F512 HydrophobicContact CB-CD2 4.13Å; H470-F512 HydrophobicContact CB-CE2 3.6Å; H470-F512 HydrophobicContact CB-CZ 3.83Å; H470-F512 AromaticContact CD2-CD1 3.94Å; H470-F512 AromaticContact CD2-CE1 3.52Å; H470-F512 AromaticContact CD2-CZ 3.63Å; H470-G516 VanDerWaalsContact CE1-CA 3.48Å; H470-G516 WeakPolarHBondContact CE1-CA 3.44Å; H470-G516 VanDerWaalsContact NE2-CA 3.34Å; H470-G516 WeakPolarHBondContact NE2-CA 3.3Å; H470-G516 PolarHBondContact NE2-O 3.14Å
471P85.4Confident89.8Confident78 Ų7825.4 Ų25.451%0.50615%0.152SC..THydrogen-bonded Turntrans-57.68.4177.2-27.635.4000117.8
472N81.8Confident90Very high52 Ų5224.4 Ų24.428%0.27813%0.133SC..THydrogen-bonded Turntrans-1140.7176.470.71.8000113.4H470 R474 C475H470-N472 PolarHBondContact CE1-ND2 3.02Å; H470-N472 PolarHBondContact ND1-N 3.23Å; H470-N472 PolarHBondContact ND1-ND2 3.45Å; H470-N472 PolarHBondContact ND1-OD1 3.17Å; H470-N472 VanDerWaalsContact ND1-OD1 3.12Å; H470-N472 PolarHBondContact O-N 2.93Å; N472-R474 PolarHBondContact O-N 2.88Å; N472-R474 PolarHBondContact OD1-N 3.13Å; N472-C475 PolarHBondContact OD1-N 3.35Å
473G83.4Confident90Very high30 Ų3023.1 Ų23.131%0.30913%0.127SC..SBendtrans67.7-2.5-17700000115.9H470H470-G473 PolarHBondContact O-N 3.31Å
474R84.1Confident90.1Very high68 Ų6822.8 Ų22.826%0.25713%0.125SC..SBendtrans-100-27.1-172.9-65.7179.9-174.3-169.4-0.2113.9L22 N472 D489 L490L22-R474 PolarHBondContact O-NH1 2.87Å; N472-R474 PolarHBondContact O-N 2.88Å; N472-R474 PolarHBondContact OD1-N 3.13Å; R474-D489 CarbonylContact O-C 3.57Å; R474-D489 WeakPolarHBondContact O-CA 3.14Å; R474-L490 WeakPolarHBondContact O-CB 3.32Å; R474-L490 PolarHBondContact O-N 2.93Å
475C89.5Confident90Very high4 Ų422.8 Ų22.83%0.02713%0.125CC..EExtended strand (participates in β ladder)trans-119.4142.1-176.8-63.70000112.1L469 H470 N472 M487 M488L469-C475 WeakPolarHBondContact CD1-O 3.31Å; H470-C475 HydrophobicContact CB-CB 3.79Å; H470-C475 WeakPolarHBondContact CB-O 3.41Å; H470-C475 PolarHBondContact N-O 3.32Å; N472-C475 PolarHBondContact OD1-N 3.35Å; C475-M487 HydrophobicContact CB-CG 3.83Å; C475-M487 HydrophobicContact CB-SD 4.17Å; C475-M488 CarbonylContact C-O 3.55Å; C475-M488 VanDerWaalsContact CA-O 3.27Å; C475-M488 WeakPolarHBondContact CA-O 3.28Å
476L93.3Very high90.1Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans-112124.7174.5-175.369.3000109.7F420 I428 L467 L469 I478 M487 M488 L490F420-L476 HydrophobicContact CB-CD1 4.35Å; F420-L476 HydrophobicContact CB-CD2 4.45Å; F420-L476 HydrophobicContact CD1-CD2 4.11Å; F420-L476 HydrophobicContact CD2-CD1 4.43Å; F420-L476 HydrophobicContact CG-CD1 4.19Å; F420-L476 HydrophobicContact CG-CD2 4.37Å; I428-L476 HydrophobicContact CD1-CD2 4.22Å; I428-L476 HydrophobicContact CG2-CD2 4.25Å; L467-L476 HydrophobicContact CB-CD1 4.37Å; L467-L476 HydrophobicContact CD1-CD2 4.47Å; L467-L476 HydrophobicContact CD2-CD2 4.14Å; L467-L476 HydrophobicContact CD2-CG 4.39Å; L469-L476 HydrophobicContact CD1-CD1 4.24Å; L476-I478 HydrophobicContact CD2-CG1 4.2Å; L476-I478 HydrophobicContact CG-CG1 4.18Å; L476-M487 WeakPolarHBondContact O-CA 3.44Å; L476-M488 PolarHBondContact N-O 3.16Å; L476-M488 PolarHBondContact O-N 3.29Å; L476-L490 HydrophobicContact CB-CD1 4.45Å; L476-L490 HydrophobicContact CB-CD2 3.87Å; L476-L490 HydrophobicContact CB-CG 4.16Å; L476-L490 HydrophobicContact CD2-CD2 4.25Å
477L93.9Very high90.1Very high3 Ų322.7 Ų22.72%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-82.6131.7167.6-176.463.7000109.3L467 Q468 L485 R486 F512 I519L467-L477 WeakPolarHBondContact CA-O 3.27Å; Q468-L477 HydrophobicContact CB-CB 4.44Å; Q468-L477 PolarHBondContact N-O 3.46Å; Q468-L477 WeakPolarHBondContact O-CB 3.47Å; Q468-L477 PolarHBondContact O-N 3.37Å; L477-L485 HydrophobicContact CD1-CD2 4.48Å; L477-R486 CarbonylContact C-O 3.55Å; L477-R486 WeakPolarHBondContact CA-O 3.36Å; L477-F512 HydrophobicContact CB-CD2 4.2Å; L477-F512 HydrophobicContact CB-CE2 3.42Å; L477-F512 VanDerWaalsContact CB-CE2 3.42Å; L477-F512 HydrophobicContact CB-CZ 3.68Å; L477-F512 HydrophobicContact CD2-CD2 4.39Å; L477-F512 HydrophobicContact CD2-CE2 4.3Å; L477-F512 HydrophobicContact CD2-CZ 4.47Å; L477-F512 HydrophobicContact CG-CE2 4.43Å; L477-F512 HydrophobicContact CG-CZ 4.47Å; L477-I519 HydrophobicContact CD1-CD1 3.87Å; L477-I519 HydrophobicContact CD1-CG1 4.33Å; L477-I519 HydrophobicContact CD1-CG2 4.42Å; L477-I519 HydrophobicContact CD2-CG1 4.47Å; L477-I519 HydrophobicContact CD2-CG2 4.15Å
478I93.4Very high90Very high0 Ų022.7 Ų22.70%012%0.124CC..EExtended strand (participates in β ladder)trans-128.2115.7-179.3-52.6160.3000106.1I428 L459 I464 L467 L476 R486 M488I428-I478 HydrophobicContact CD1-CD1 3.47Å; I428-I478 VanDerWaalsContact CD1-CD1 3.47Å; I428-I478 HydrophobicContact CD1-CG1 3.72Å; I428-I478 HydrophobicContact CD1-CG2 4.19Å; L459-I478 HydrophobicContact CD1-CD1 4.23Å; L459-I478 HydrophobicContact CD1-CG2 4.31Å; L459-I478 HydrophobicContact CD2-CG2 4.21Å; I464-I478 HydrophobicContact CD1-CG2 4.1Å; I464-I478 HydrophobicContact CG1-CG2 4.03Å; I464-I478 HydrophobicContact CG2-CG2 3.91Å; L467-I478 HydrophobicContact CD2-CB 4.24Å; L467-I478 HydrophobicContact CD2-CG1 3.82Å; L467-I478 HydrophobicContact CD2-CG2 4.15Å; L476-I478 HydrophobicContact CD2-CG1 4.2Å; L476-I478 HydrophobicContact CG-CG1 4.18Å; I478-R486 HydrophobicContact CB-CB 4.18Å; I478-R486 PolarHBondContact N-O 3.33Å; I478-R486 PolarHBondContact O-N 3.39Å; I478-M488 HydrophobicContact CD1-CB 4.08Å; I478-M488 HydrophobicContact CD1-CE 4.18Å; I478-M488 HydrophobicContact CD1-SD 4.39Å
479H91.6Very high89.7Confident1 Ų121.2 Ų21.21%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-103.3121.9171.3-164-178.4000108.9N465 M466 L485 N503 I508 S510 S521N465-H479 PolarHBondContact N-O 2.97Å; M466-H479 HydrophobicContact CB-CB 4.33Å; M466-H479 PolarHBondContact N-O 2.98Å; M466-H479 PolarHBondContact O-N 3.21Å; H479-L485 WeakPolarHBondContact NE2-CD1 3.45Å; H479-N503 PolarHBondContact CD2-ND2 2.82Å; H479-N503 PolarHBondContact CE1-ND2 3.32Å; H479-N503 PolarHBondContact NE2-ND2 3.37Å; H479-I508 PolarHBondContact ND1-O 2.86Å; H479-S510 PolarHBondContact CE1-OG 2.87Å; H479-S510 PolarHBondContact ND1-OG 3.4Å; H479-S521 PolarHBondContact CE1-OG 3.32Å
480A91.5Very high89.3Confident0 Ų021.8 Ų21.80%012%0.12CC..EExtended strand (participates in β ladder)trans-120.6161.1-17900000111.6L459 I462 P463 D482L459-A480 HydrophobicContact CD2-CB 4.06Å; I462-A480 HydrophobicContact CG2-CB 3.84Å; P463-A480 CarbonylContact O-C 3.52Å; P463-A480 VanDerWaalsContact O-CA 3.29Å; P463-A480 WeakPolarHBondContact O-CA 3.14Å; A480-D482 PolarHBondContact O-N 2.87Å
481K89.4Confident88.8Confident58 Ų5825.1 Ų25.125%0.25213%0.133SC..THydrogen-bonded Turntrans-78.552.5179.1-65.7-165.5-175.8-165.80113.2P463 N465 N503 R505 E506P463-K481 HydrophobicContact CB-CB 4.34Å; P463-K481 HydrophobicContact CB-CD 4.06Å; P463-K481 HydrophobicContact CB-CG 4.12Å; P463-K481 HydrophobicContact CG-CD 4.41Å; P463-K481 PolarHBondContact O-N 3.04Å; N465-K481 VanDerWaalsContact ND2-CG 3.35Å; N465-K481 WeakPolarHBondContact ND2-CG 3.49Å; N465-K481 WeakPolarHBondContact OD1-CE 3.39Å; K481-N503 CarbonylContact C-O 3.58Å; K481-N503 WeakPolarHBondContact CA-O 3.35Å; K481-R505 PolarHBondContact NZ-O 3.16Å; K481-E506 WeakPolarHBondContact CE-O 3.47Å
482D89Confident88.5Confident39 Ų3923.1 Ų23.121%0.20912%0.117CC..THydrogen-bonded Turntrans-136.313.7175.573.2-25.3000113.7I462 A480 V484 R486 N503I462-D482 HydrophobicContact CD1-CB 4.18Å; I462-D482 HydrophobicContact CG2-CB 3.97Å; A480-D482 PolarHBondContact O-N 2.87Å; D482-V484 PolarHBondContact O-N 3.22Å; D482-V484 PolarHBondContact OD1-N 3.12Å; D482-V484 VanDerWaalsContact OD1-N 3.16Å; D482-R486 VanDerWaalsContact CG-NH1 3.27Å; D482-R486 IonicContact OD1-CZ 3.98Å; D482-R486 IonicContact OD1-NH1 3.85Å; D482-R486 PolarHBondContact OD1-NH1 2.85Å; D482-R486 IonicContact OD2-CZ 3.87Å; D482-R486 VanDerWaalsContact OD2-CZ 3.22Å; D482-R486 IonicContact OD2-NH1 3.94Å; D482-R486 PolarHBondContact OD2-NH1 2.87Å; D482-R486 IonicContact OD2-NH2 2.73Å; D482-R486 PolarHBondContact OD2-NH2 2.65Å; D482-N503 CarbonylContact C-O 3.56Å; D482-N503 PolarHBondContact N-O 3.01Å; D482-N503 VanDerWaalsContact N-O 3.12Å
483S88.8Confident88.6Confident13 Ų1322.3 Ų22.39%0.09111%0.113CC..SBendtrans6122-174.6-50.50000114.9A501 T502 N503 Y504S483-A501 WeakPolarHBondContact CA-O 3.22Å; S483-A501 WeakPolarHBondContact CB-O 3.49Å; S483-T502 WeakPolarHBondContact OG-CA 3.34Å; S483-N503 PolarHBondContact N-O 2.94Å; S483-N503 PolarHBondContact OG-N 2.94Å; S483-N503 PolarHBondContact OG-O 2.96Å; S483-Y504 VanDerWaalsContact OG-CE1 3.29Å; S483-Y504 WeakPolarHBondContact OG-CE1 3.45Å; S483-Y504 WeakPolarHBondContact OG-CE2 3.39Å; S483-Y504 PolarHBondContact OG-OH 2.79Å
484V90.9Very high88.5Confident24 Ų2422.3 Ų22.315%0.14511%0.11CC..EExtended strand (participates in β ladder)trans-126.1107.1178.2-1730000111.2D482 R486 K497 T499D482-V484 PolarHBondContact O-N 3.22Å; D482-V484 PolarHBondContact OD1-N 3.12Å; D482-V484 VanDerWaalsContact OD1-N 3.16Å; V484-R486 HydrophobicContact CG1-CG 4.4Å; V484-R486 PolarHBondContact O-NH1 2.88Å; V484-K497 HydrophobicContact CG1-CB 3.79Å; V484-K497 HydrophobicContact CG1-CD 4.19Å; V484-K497 HydrophobicContact CG1-CG 4.02Å; V484-T499 HydrophobicContact CG1-CG2 4.41Å; V484-T499 HydrophobicContact CG2-CG2 4.15Å
485L91.6Very high88.7Confident0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-71140.4167.7-75.377.9000109.3L477 H479 K497 Y498 S510 I519 W531L477-L485 HydrophobicContact CD1-CD2 4.48Å; H479-L485 WeakPolarHBondContact NE2-CD1 3.45Å; L485-K497 CarbonylContact O-C 3.6Å; L485-K497 WeakPolarHBondContact O-CA 3.4Å; L485-Y498 HydrophobicContact CB-CD2 4.38Å; L485-Y498 PolarHBondContact N-O 3.48Å; L485-Y498 PolarHBondContact O-N 2.84Å; L485-S510 WeakPolarHBondContact CD2-OG 3.2Å; L485-I519 HydrophobicContact CD2-CG2 3.72Å; L485-W531 HydrophobicContact CD1-CH2 3.93Å; L485-W531 HydrophobicContact CD1-CZ3 4.44Å; L485-W531 HydrophobicContact CD2-CH2 4.17Å; L485-W531 HydrophobicContact CD2-CZ3 3.84Å
486R91.6Very high88.6Confident6 Ų623.7 Ų23.72%0.02312%0.119CC..EExtended strand (participates in β ladder)trans-127.4127.9-177-70.4167.4175.775.5-6.3110D458 L477 I478 D482 V484 I495 K496 K497D458-R486 PolarHBondContact O-NH2 3.16Å; L477-R486 CarbonylContact C-O 3.55Å; L477-R486 WeakPolarHBondContact CA-O 3.36Å; I478-R486 HydrophobicContact CB-CB 4.18Å; I478-R486 PolarHBondContact N-O 3.33Å; I478-R486 PolarHBondContact O-N 3.39Å; D482-R486 VanDerWaalsContact CG-NH1 3.27Å; D482-R486 IonicContact OD1-CZ 3.98Å; D482-R486 IonicContact OD1-NH1 3.85Å; D482-R486 PolarHBondContact OD1-NH1 2.85Å; D482-R486 IonicContact OD2-CZ 3.87Å; D482-R486 VanDerWaalsContact OD2-CZ 3.22Å; D482-R486 IonicContact OD2-NH1 3.94Å; D482-R486 PolarHBondContact OD2-NH1 2.87Å; D482-R486 IonicContact OD2-NH2 2.73Å; D482-R486 PolarHBondContact OD2-NH2 2.65Å; V484-R486 HydrophobicContact CG1-CG 4.4Å; V484-R486 PolarHBondContact O-NH1 2.88Å; R486-I495 HydrophobicContact CB-CG2 3.75Å; R486-I495 HydrophobicContact CG-CG2 3.73Å; R486-K496 CarbonylContact C-O 3.54Å; R486-K496 WeakPolarHBondContact CA-O 3.46Å; R486-K497 HydrophobicContact CG-CG 4.45Å
487M92.6Very high88.5Confident20 Ų2028.8 Ų28.810%0.09914%0.141CC..EExtended strand (participates in β ladder)trans-108.3117.2167.4-178.5-179.379.600108.7C475 L476 K496 Y498 F512 T533C475-M487 HydrophobicContact CB-CG 3.83Å; C475-M487 HydrophobicContact CB-SD 4.17Å; L476-M487 WeakPolarHBondContact O-CA 3.44Å; M487-K496 HydrophobicContact CE-CB 4.45Å; M487-K496 HydrophobicContact CE-CD 4.2Å; M487-K496 PolarHBondContact N-O 2.86Å; M487-K496 PolarHBondContact O-N 2.86Å; M487-Y498 HydrophobicContact CB-CE2 3.71Å; M487-Y498 WeakPolarHBondContact CE-OH 3.29Å; M487-F512 HydrophobicContact CG-CZ 4.31Å; M487-F512 HydrophobicContact SD-CE1 4.23Å; M487-F512 HydrophobicContact SD-CZ 4.22Å; M487-T533 HydrophobicContact SD-CG2 4.35Å
488M90.9Very high88.4Confident0 Ų028.8 Ų28.80%014%0.141CC..EExtended strand (participates in β ladder)trans-107.1122.4-178.5179.1-177.8-78.700110.1I454 E456 C475 L476 I478 L490 L493 A494 I495I454-M488 HydrophobicContact CD1-SD 4.09Å; I454-M488 HydrophobicContact CG2-CE 3.97Å; I454-M488 HydrophobicContact CG2-SD 4.17Å; E456-M488 HydrophobicContact CG-CE 3.97Å; C475-M488 CarbonylContact C-O 3.55Å; C475-M488 VanDerWaalsContact CA-O 3.27Å; C475-M488 WeakPolarHBondContact CA-O 3.28Å; L476-M488 PolarHBondContact N-O 3.16Å; L476-M488 PolarHBondContact O-N 3.29Å; I478-M488 HydrophobicContact CD1-CB 4.08Å; I478-M488 HydrophobicContact CD1-CE 4.18Å; I478-M488 HydrophobicContact CD1-SD 4.39Å; M488-L490 PolarHBondContact O-N 2.9Å; M488-L493 HydrophobicContact CG-CD2 4.37Å; M488-L493 HydrophobicContact SD-CB 4.44Å; M488-L493 HydrophobicContact SD-CD2 3.73Å; M488-A494 WeakPolarHBondContact CA-O 3.38Å; M488-I495 HydrophobicContact CB-CG1 4.39Å; M488-I495 HydrophobicContact CE-CD1 3.69Å; M488-I495 HydrophobicContact CE-CG1 3.62Å; M488-I495 HydrophobicContact CG-CG1 4.42Å
489D87.9Confident88Confident18 Ų1833.3 Ų33.310%0.09617%0.169CC..EExtended strand (participates in β ladder)trans-73116167.8-178.6-40000108.7R474 R491 I492 L493 A494R474-D489 CarbonylContact O-C 3.57Å; R474-D489 WeakPolarHBondContact O-CA 3.14Å; D489-R491 PolarHBondContact O-N 2.72Å; D489-R491 VanDerWaalsContact O-N 3.16Å; D489-R491 WeakPolarHBondContact OD1-CB 3.2Å; D489-R491 WeakPolarHBondContact OD1-CG 3.49Å; D489-R491 IonicContact OD1-CZ 3.51Å; D489-R491 PolarHBondContact OD1-N 2.8Å; D489-R491 IonicContact OD1-NE 3.4Å; D489-R491 PolarHBondContact OD1-NE 2.91Å; D489-R491 VanDerWaalsContact OD1-NE 3.1Å; D489-R491 IonicContact OD2-CZ 3.6Å; D489-R491 IonicContact OD2-NE 3.64Å; D489-R491 PolarHBondContact OD2-NE 2.97Å; D489-R491 IonicContact OD2-NH2 2.72Å; D489-R491 PolarHBondContact OD2-NH2 2.99Å; D489-I492 HydrophobicContact CB-CD1 4.15Å; D489-I492 HydrophobicContact CB-CG1 3.69Å; D489-I492 PolarHBondContact O-N 2.67Å; D489-L493 VanDerWaalsContact O-CA 3.24Å; D489-L493 WeakPolarHBondContact O-CA 3.14Å; D489-L493 PolarHBondContact O-N 2.89Å; D489-A494 PolarHBondContact N-O 2.8Å; D489-A494 VanDerWaalsContact N-O 3.14Å
490L84.6Confident87.5Confident31 Ų3135 Ų3516%0.16219%0.187CC..THydrogen-bonded Turntrans-64.9-17.1-173.8-69.3172.9000114F420 L469 R474 L476 M488F420-L490 HydrophobicContact CD1-CD2 4.3Å; F420-L490 HydrophobicContact CE1-CD1 3.71Å; F420-L490 HydrophobicContact CE1-CD2 3.66Å; F420-L490 HydrophobicContact CE1-CG 4.34Å; F420-L490 HydrophobicContact CE2-CD1 4.26Å; F420-L490 HydrophobicContact CZ-CD1 3.44Å; F420-L490 VanDerWaalsContact CZ-CD1 3.44Å; F420-L490 HydrophobicContact CZ-CD2 4.29Å; L469-L490 HydrophobicContact CD1-CD1 3.51Å; R474-L490 WeakPolarHBondContact O-CB 3.32Å; R474-L490 PolarHBondContact O-N 2.93Å; L476-L490 HydrophobicContact CB-CD1 4.45Å; L476-L490 HydrophobicContact CB-CD2 3.87Å; L476-L490 HydrophobicContact CB-CG 4.16Å; L476-L490 HydrophobicContact CD2-CD2 4.25Å; M488-L490 PolarHBondContact O-N 2.9Å
491R79.7Confident87.3Confident82 Ų8235.1 Ų35.131%0.30919%0.188SC..THydrogen-bonded Turntrans-76-47.5176.6-54.2172.8-66.9162.40.3110.3I24 R74 D489I24-R491 PolarHBondContact O-NH1 3.1Å; R74-R491 WeakPolarHBondContact CD-O 3.21Å; R74-R491 WeakPolarHBondContact CG-O 3.11Å; D489-R491 PolarHBondContact O-N 2.72Å; D489-R491 VanDerWaalsContact O-N 3.16Å; D489-R491 WeakPolarHBondContact OD1-CB 3.2Å; D489-R491 WeakPolarHBondContact OD1-CG 3.49Å; D489-R491 IonicContact OD1-CZ 3.51Å; D489-R491 PolarHBondContact OD1-N 2.8Å; D489-R491 IonicContact OD1-NE 3.4Å; D489-R491 PolarHBondContact OD1-NE 2.91Å; D489-R491 VanDerWaalsContact OD1-NE 3.1Å; D489-R491 IonicContact OD2-CZ 3.6Å; D489-R491 IonicContact OD2-NE 3.64Å; D489-R491 PolarHBondContact OD2-NE 2.97Å; D489-R491 IonicContact OD2-NH2 2.72Å; D489-R491 PolarHBondContact OD2-NH2 2.99Å
492I79.8Confident87.1Confident36 Ų3634 Ų3419%0.18519%0.186CC..THydrogen-bonded Turntrans-108.4-7.4-168.756.3171000113.9F73 R74 D489 A494F73-I492 HydrophobicContact CB-CG2 3.54Å; R74-I492 HydrophobicContact CG-CG2 3.7Å; D489-I492 HydrophobicContact CB-CD1 4.15Å; D489-I492 HydrophobicContact CB-CG1 3.69Å; D489-I492 PolarHBondContact O-N 2.67Å; I492-A494 HydrophobicContact CD1-CB 3.55Å; I492-A494 HydrophobicContact CG1-CB 3.78Å; I492-A494 PolarHBondContact O-N 3Å; I492-A494 VanDerWaalsContact O-N 3.08Å
493L82.8Confident87.1Confident35 Ų3532.1 Ų32.118%0.18318%0.176CC..  trans54.915.8-173-55.7178.6000114.8M452 I454 M488 D489 I495M452-L493 HydrophobicContact CE-CD1 4.49Å; M452-L493 HydrophobicContact CE-CD2 4.02Å; M452-L493 HydrophobicContact SD-CD1 4.23Å; I454-L493 HydrophobicContact CD1-CD2 3.92Å; I454-L493 HydrophobicContact CG1-CD2 4.24Å; M488-L493 HydrophobicContact CG-CD2 4.37Å; M488-L493 HydrophobicContact SD-CB 4.44Å; M488-L493 HydrophobicContact SD-CD2 3.73Å; D489-L493 VanDerWaalsContact O-CA 3.24Å; D489-L493 WeakPolarHBondContact O-CA 3.14Å; D489-L493 PolarHBondContact O-N 2.89Å; L493-I495 PolarHBondContact O-N 2.79Å
494A82Confident86.8Confident31 Ų3138.5 Ų38.526%0.25620%0.199SC..PPolyproline II helixtrans-72.5127.5178.300000110.7I79 M488 D489 I492I79-A494 HydrophobicContact CG1-CB 4.47Å; M488-A494 WeakPolarHBondContact CA-O 3.38Å; D489-A494 PolarHBondContact N-O 2.8Å; D489-A494 VanDerWaalsContact N-O 3.14Å; I492-A494 HydrophobicContact CD1-CB 3.55Å; I492-A494 HydrophobicContact CG1-CB 3.78Å; I492-A494 PolarHBondContact O-N 3Å; I492-A494 VanDerWaalsContact O-N 3.08Å
495I87.8Confident86.5Confident44 Ų4446.9 Ų46.923%0.22623%0.228CC..EExtended strand (participates in β ladder)trans-98.3122.1-177-58.3173.9000110.4E456 R486 M488 L493 K497E456-I495 HydrophobicContact CG-CD1 4.45Å; R486-I495 HydrophobicContact CB-CG2 3.75Å; R486-I495 HydrophobicContact CG-CG2 3.73Å; M488-I495 HydrophobicContact CB-CG1 4.39Å; M488-I495 HydrophobicContact CE-CD1 3.69Å; M488-I495 HydrophobicContact CE-CG1 3.62Å; M488-I495 HydrophobicContact CG-CG1 4.42Å; L493-I495 PolarHBondContact O-N 2.79Å; I495-K497 HydrophobicContact CG2-CG 4.01Å
496K88.1Confident86.2Confident56 Ų5651 Ų5124%0.24325%0.247CC..EExtended strand (participates in β ladder)trans-92126.8160.6-174.6169.1176.6-176.90108.9R486 M487 Y498 T533 D534 T535 G536R486-K496 CarbonylContact C-O 3.54Å; R486-K496 WeakPolarHBondContact CA-O 3.46Å; M487-K496 HydrophobicContact CE-CB 4.45Å; M487-K496 HydrophobicContact CE-CD 4.2Å; M487-K496 PolarHBondContact N-O 2.86Å; M487-K496 PolarHBondContact O-N 2.86Å; K496-Y498 HydrophobicContact CD-CE1 4.42Å; K496-Y498 HydrophobicContact CG-CE2 4.24Å; K496-T533 PolarHBondContact NZ-O 3.15Å; K496-D534 VanDerWaalsContact NZ-C 3.25Å; K496-D534 PolarHBondContact NZ-O 2.91Å; K496-T535 PolarHBondContact NZ-O 3.4Å; K496-T535 VanDerWaalsContact NZ-O 3.17Å; K496-G536 VanDerWaalsContact NZ-CA 3.34Å
497K90.8Very high85.9Confident107 Ų10752.2 Ų52.247%0.46525%0.251SS..EExtended strand (participates in β ladder)trans-100.6142.4-178.7-63.6-178.7-178.9-177.90110.1D458 V484 L485 R486 I495D458-K497 WeakPolarHBondContact OD2-CE 3.44Å; D458-K497 IonicContact OD2-NZ 2.66Å; D458-K497 PolarHBondContact OD2-NZ 2.9Å; V484-K497 HydrophobicContact CG1-CB 3.79Å; V484-K497 HydrophobicContact CG1-CD 4.19Å; V484-K497 HydrophobicContact CG1-CG 4.02Å; L485-K497 CarbonylContact O-C 3.6Å; L485-K497 WeakPolarHBondContact O-CA 3.4Å; R486-K497 HydrophobicContact CG-CG 4.45Å; I495-K497 HydrophobicContact CG2-CG 4.01Å
498Y90.8Very high85.8Confident3 Ų351.2 Ų51.21%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-126.5131.7172.1-48.2-99.1000108.2L485 M487 K496 I519 W531 T533L485-Y498 HydrophobicContact CB-CD2 4.38Å; L485-Y498 PolarHBondContact N-O 3.48Å; L485-Y498 PolarHBondContact O-N 2.84Å; M487-Y498 HydrophobicContact CB-CE2 3.71Å; M487-Y498 WeakPolarHBondContact CE-OH 3.29Å; K496-Y498 HydrophobicContact CD-CE1 4.42Å; K496-Y498 HydrophobicContact CG-CE2 4.24Å; Y498-I519 HydrophobicContact CD2-CD1 4.05Å; Y498-I519 HydrophobicContact CE1-CD1 4.21Å; Y498-I519 HydrophobicContact CE2-CD1 3.55Å; Y498-W531 HydrophobicContact CD1-CB 3.65Å; Y498-W531 AromaticContact CD1-CG 3.89Å; Y498-W531 HydrophobicContact CD1-CG 3.89Å; Y498-W531 HydrophobicContact CE1-CB 4.15Å; Y498-W531 HydrophobicContact CG-CB 4.47Å; Y498-W531 HydrophobicContact CG-CG 4.35Å; Y498-T533 WeakPolarHBondContact OH-CA 3.46Å; Y498-T533 PolarHBondContact OH-O 3.03Å
499T86.8Confident85.7Confident95 Ų9552 Ų5258%0.58325%0.25SC*.EExtended strand (participates in β ladder)trans-119.8162.1-177.248.70000110.2V484 W531V484-T499 HydrophobicContact CG1-CG2 4.41Å; V484-T499 HydrophobicContact CG2-CG2 4.15Å; T499-W531 PolarHBondContact O-NE1 3.15Å
500G81.3Confident85.9Confident38 Ų3851.3 Ų51.339%0.39225%0.247SC..  trans126.1-26.7171.700000114.7Y529G500-Y529 WeakPolarHBondContact O-CE1 3.41Å; G500-Y529 PolarHBondContact O-OH 3.5Å
501A86.5Confident86.2Confident1 Ų150.5 Ų50.51%0.00824%0.243CC..SBendtrans-95124.5173.300000110.6S483 Y529 W531S483-A501 WeakPolarHBondContact CA-O 3.22Å; S483-A501 WeakPolarHBondContact CB-O 3.49Å; A501-Y529 HydrophobicContact CB-CD1 4.47Å; A501-Y529 HydrophobicContact CB-CD2 3.68Å; A501-Y529 HydrophobicContact CB-CE2 4.15Å; A501-Y529 HydrophobicContact CB-CG 3.88Å; A501-W531 HydrophobicContact CB-CH2 3.69Å; A501-W531 HydrophobicContact CB-CZ2 4Å
502T85.8Confident86.8Confident34 Ų3447 Ų4721%0.20923%0.23CC..  trans-71.9133.3176.557.70000112S483 S523 E524 D525S483-T502 WeakPolarHBondContact OG-CA 3.34Å; T502-S523 WeakPolarHBondContact O-CA 3.12Å; T502-E524 PolarHBondContact O-N 2.96Å; T502-E524 PolarHBondContact OG1-N 3.12Å; T502-D525 VanDerWaalsContact CG2-OD1 3.25Å; T502-D525 WeakPolarHBondContact CG2-OD1 3.39Å; T502-D525 PolarHBondContact OG1-N 2.68Å; T502-D525 PolarHBondContact OG1-OD1 2.74Å; T502-D525 PolarHBondContact OG1-OD2 2.84Å
503N87.4Confident87.3Confident0 Ų045.3 Ų45.30%022%0.221CC..  trans-157.8104174.9-171.4-16.2000109.4N465 H479 K481 D482 S483 E506 I508N465-N503 PolarHBondContact ND2-ND2 3.3Å; N465-N503 PolarHBondContact ND2-OD1 3.33Å; N465-N503 VanDerWaalsContact ND2-OD1 3.15Å; H479-N503 PolarHBondContact CD2-ND2 2.82Å; H479-N503 PolarHBondContact CE1-ND2 3.32Å; H479-N503 PolarHBondContact NE2-ND2 3.37Å; K481-N503 CarbonylContact C-O 3.58Å; K481-N503 WeakPolarHBondContact CA-O 3.35Å; D482-N503 CarbonylContact C-O 3.56Å; D482-N503 PolarHBondContact N-O 3.01Å; D482-N503 VanDerWaalsContact N-O 3.12Å; S483-N503 PolarHBondContact N-O 2.94Å; S483-N503 PolarHBondContact OG-N 2.94Å; S483-N503 PolarHBondContact OG-O 2.96Å; N503-E506 PolarHBondContact OD1-O 3.25Å; N503-I508 HydrophobicContact CB-CD1 4.4Å
504Y83.4Confident87.4Confident148 Ų14845.9 Ų45.958%0.5823%0.227SC*.SBendtrans-134.2-27.5-177.7-64.3-65.6000113S483 E524S483-Y504 VanDerWaalsContact OG-CE1 3.29Å; S483-Y504 WeakPolarHBondContact OG-CE1 3.45Å; S483-Y504 WeakPolarHBondContact OG-CE2 3.39Å; S483-Y504 PolarHBondContact OG-OH 2.79Å; Y504-E524 PolarHBondContact N-OE1 3.31Å
505R84.3Confident87.3Confident200 Ų20046.2 Ų46.276%0.75523%0.227SC*.SBendtrans-121.4-47.7-171.3-64.2176.8176.9175.70.7111K481 E524K481-R505 PolarHBondContact NZ-O 3.16Å; R505-E524 WeakPolarHBondContact CA-OE1 3.3Å; R505-E524 PolarHBondContact N-OE1 2.85Å
506E85.8Confident87.2Confident85 Ų8544.2 Ų44.240%0.39722%0.217SC..SBendtrans-86.8168.8-168.2-68.1-52.514800113.8N465 K481 N503 I508 E524 A550 H552N465-E506 PolarHBondContact ND2-O 2.76Å; K481-E506 WeakPolarHBondContact CE-O 3.47Å; N503-E506 PolarHBondContact OD1-O 3.25Å; E506-I508 HydrophobicContact CB-CG1 4.44Å; E506-E524 HydrophobicContact CB-CG 4.31Å; E506-E524 HydrophobicContact CG-CG 4.44Å; E506-E524 PolarHBondContact N-OE1 2.79Å; E506-A550 HydrophobicContact CB-CB 4.39Å; E506-A550 HydrophobicContact CG-CB 4.09Å; E506-H552 IonicContact OE2-CE1 3.24Å; E506-H552 PolarHBondContact OE2-CE1 3.08Å
507R85.6Confident87.2Confident32 Ų3243.5 Ų43.512%0.12122%0.216CC..  trans-95.9113.4165.8-171.1-179.9-171.7-175.84.9109Y361 N408 N465 Y509 H552Y361-R507 PolarHBondContact O-NH1 2.81Å; N408-R507 PolarHBondContact O-NH2 2.62Å; N465-R507 HydrophobicContact CB-CG 4.17Å; N465-R507 PolarHBondContact O-NE 2.89Å; N465-R507 PolarHBondContact O-NH2 2.79Å; R507-Y509 HydrophobicContact CG-CE2 4.38Å; R507-Y509 VanDerWaalsContact CZ-OH 3.28Å; R507-Y509 PolarHBondContact NH1-OH 3.09Å; R507-H552 PolarHBondContact O-ND1 2.87Å
508I90.2Very high87.2Confident0 Ų039.6 Ų39.60%020%0.199CC..  trans-117.5131.2178.7-61.6178.8000109.8H479 N503 E506 E524 V551H479-I508 PolarHBondContact ND1-O 2.86Å; N503-I508 HydrophobicContact CB-CD1 4.4Å; E506-I508 HydrophobicContact CB-CG1 4.44Å; I508-E524 HydrophobicContact CD1-CG 3.98Å; I508-V551 WeakPolarHBondContact CG2-O 3.45Å
509Y89.1Confident87.3Confident16 Ų1639.4 Ų39.46%0.06320%0.198CC..  trans-86143.3173.1-75.3-104.1000110.7Y318 D319 M466 R507 H552Y318-Y509 PolarHBondContact O-OH 2.89Å; D319-Y509 WeakPolarHBondContact OD1-CE1 3.48Å; D319-Y509 PolarHBondContact OD1-OH 2.8Å; M466-Y509 HydrophobicContact CE-CD1 3.88Å; M466-Y509 HydrophobicContact CE-CE1 3.94Å; M466-Y509 HydrophobicContact CG-CD1 4.08Å; M466-Y509 HydrophobicContact CG-CE1 4.47Å; M466-Y509 HydrophobicContact SD-CD1 3.72Å; M466-Y509 HydrophobicContact SD-CE1 3.58Å; M466-Y509 VanDerWaalsContact SD-CE1 3.58Å; R507-Y509 HydrophobicContact CG-CE2 4.38Å; R507-Y509 VanDerWaalsContact CZ-OH 3.28Å; R507-Y509 PolarHBondContact NH1-OH 3.09Å; Y509-H552 WeakPolarHBondContact CB-O 3.43Å; Y509-H552 PolarHBondContact N-O 3.16Å
510S91.6Very high87.6Confident4 Ų434.9 Ų34.93%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-127.2146.8173.3-53.90000108H479 L485 F520 S521H479-S510 PolarHBondContact CE1-OG 2.87Å; H479-S510 PolarHBondContact ND1-OG 3.4Å; L485-S510 WeakPolarHBondContact CD2-OG 3.2Å; S510-F520 CarbonylContact C-O 3.6Å; S510-F520 VanDerWaalsContact CA-O 3.28Å; S510-F520 WeakPolarHBondContact CA-O 3.41Å; S510-S521 WeakPolarHBondContact OG-CB 3.24Å; S510-S521 PolarHBondContact OG-OG 3.22Å
511T91.3Very high88.2Confident14 Ų1433.1 Ų33.19%0.08615%0.152CC..EExtended strand (participates in β ladder)trans-136.3135-174.3-162.80000112F520 V554 F556T511-F520 HydrophobicContact CG2-CB 3.99Å; T511-F520 PolarHBondContact N-O 3.11Å; T511-F520 PolarHBondContact O-N 2.58Å; T511-V554 HydrophobicContact CG2-CB 4.42Å; T511-V554 HydrophobicContact CG2-CG1 4Å; T511-F556 HydrophobicContact CG2-CB 4.08Å
512F92.2Very high88.3Confident7 Ų733 Ų333%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-72.8141.6165-76.6-63.3000110.8H470 L477 M487 I519 T533H470-F512 VanDerWaalsContact CA-CE2 3.45Å; H470-F512 HydrophobicContact CB-CD2 4.13Å; H470-F512 HydrophobicContact CB-CE2 3.6Å; H470-F512 HydrophobicContact CB-CZ 3.83Å; H470-F512 AromaticContact CD2-CD1 3.94Å; H470-F512 AromaticContact CD2-CE1 3.52Å; H470-F512 AromaticContact CD2-CZ 3.63Å; L477-F512 HydrophobicContact CB-CD2 4.2Å; L477-F512 HydrophobicContact CB-CE2 3.42Å; L477-F512 VanDerWaalsContact CB-CE2 3.42Å; L477-F512 HydrophobicContact CB-CZ 3.68Å; L477-F512 HydrophobicContact CD2-CD2 4.39Å; L477-F512 HydrophobicContact CD2-CE2 4.3Å; L477-F512 HydrophobicContact CD2-CZ 4.47Å; L477-F512 HydrophobicContact CG-CE2 4.43Å; L477-F512 HydrophobicContact CG-CZ 4.47Å; M487-F512 HydrophobicContact CG-CZ 4.31Å; M487-F512 HydrophobicContact SD-CE1 4.23Å; M487-F512 HydrophobicContact SD-CZ 4.22Å; F512-I519 HydrophobicContact CD1-CG1 3.63Å; F512-I519 HydrophobicContact CE1-CD1 3.91Å; F512-I519 HydrophobicContact CE1-CG1 3.47Å; F512-I519 VanDerWaalsContact CE1-CG1 3.47Å; F512-I519 HydrophobicContact CZ-CG1 4.45Å; F512-T533 HydrophobicContact CD1-CG2 4.26Å; F512-T533 HydrophobicContact CE1-CG2 3.9Å
513T90.3Very high88.6Confident1 Ų131.4 Ų31.41%0.00614%0.142CC..  trans-63.6149159.9480000111.5C255 C515 G516 F518 F520 F556C255-T513 HydrophobicContact CB-CG2 4.25Å; T513-C515 PolarHBondContact O-N 3.14Å; T513-G516 WeakPolarHBondContact O-CA 3.42Å; T513-G516 PolarHBondContact O-N 3.39Å; T513-F518 HydrophobicContact CG2-CB 3.83Å; T513-F518 HydrophobicContact CG2-CD2 4.41Å; T513-F518 PolarHBondContact N-O 3.1Å; T513-F518 PolarHBondContact OG1-N 2.85Å; T513-F518 PolarHBondContact OG1-O 2.86Å; T513-F520 HydrophobicContact CG2-CD2 3.87Å; T513-F520 HydrophobicContact CG2-CE2 3.5Å; T513-F556 HydrophobicContact CG2-CD1 4.26Å; T513-F556 HydrophobicContact CG2-CD2 3.73Å; T513-F556 HydrophobicContact CG2-CE1 4.21Å; T513-F556 HydrophobicContact CG2-CE2 3.67Å; T513-F556 HydrophobicContact CG2-CG 4.02Å; T513-F556 HydrophobicContact CG2-CZ 3.92Å
514P84.6Confident88.6Confident48 Ų4833.6 Ų33.631%0.31215%0.152SC..THydrogen-bonded Turntrans-60.9-17.3-178.5-2734.5000115.9F556 P558P514-F556 HydrophobicContact CG-CD1 4.09Å; P514-P558 WeakPolarHBondContact CG-O 3.27Å
515C80.7Confident88.7Confident38 Ų3830.5 Ų30.526%0.25715%0.145SC..THydrogen-bonded Turntrans-87.7-14.6172.351.60000113.4C255 T513 N517C255-C515 HydrophobicContact CB-CB 4.44Å; C255-C515 WeakPolarHBondContact CB-SG 3.41Å; C255-C515 PolarHBondContact N-SG 2.96Å; C255-C515 WeakPolarHBondContact SG-CB 3.36Å; C255-C515 PolarHBondContact SG-N 3.03Å; C255-C515 CovalentContact SG-SG 2.04Å; C255-C515 PolarHBondContact SG-SG 2.96Å; T513-C515 PolarHBondContact O-N 3.14Å; C515-N517 VanDerWaalsContact C-N 3.31Å; C515-N517 PolarHBondContact O-N 2.72Å
516G84.6Confident88.8Confident1 Ų121.1 Ų21.11%0.0111%0.111CC..SBendtrans85.7-20.4-176.100000115.6H470 T513 F518 T533H470-G516 VanDerWaalsContact CE1-CA 3.48Å; H470-G516 WeakPolarHBondContact CE1-CA 3.44Å; H470-G516 VanDerWaalsContact NE2-CA 3.34Å; H470-G516 WeakPolarHBondContact NE2-CA 3.3Å; H470-G516 PolarHBondContact NE2-O 3.14Å; T513-G516 WeakPolarHBondContact O-CA 3.42Å; T513-G516 PolarHBondContact O-N 3.39Å; G516-F518 VanDerWaalsContact C-N 3.26Å; G516-F518 PolarHBondContact O-N 2.89Å; G516-F518 VanDerWaalsContact O-N 3.16Å; G516-T533 WeakPolarHBondContact O-CB 3.49Å; G516-T533 WeakPolarHBondContact O-CG2 3.49Å; G516-T533 PolarHBondContact O-OG1 3.48Å
517N87.5Confident89Confident41 Ų4118.9 Ų18.922%0.21910%0.101CC..SBendtrans-66-18.6-171.9-6296.4000115.7C515 N532 T533 D534C515-N517 VanDerWaalsContact C-N 3.31Å; C515-N517 PolarHBondContact O-N 2.72Å; N517-N532 WeakPolarHBondContact O-CA 3.35Å; N517-T533 VanDerWaalsContact C-OG1 3.23Å; N517-T533 VanDerWaalsContact CA-OG1 3.25Å; N517-T533 WeakPolarHBondContact CA-OG1 3.11Å; N517-T533 PolarHBondContact O-N 2.73Å; N517-T533 PolarHBondContact O-OG1 2.79Å; N517-D534 PolarHBondContact ND2-OD2 2.72Å
518F91.7Very high89.2Confident25 Ų2517.3 Ų17.311%0.1110%0.095CC..EExtended strand (participates in β ladder)trans-133.9141.4179.2-54.3-82.8000112.8C255 I257 T513 G516 F520 V530 W531 V539C255-F518 WeakPolarHBondContact O-CE2 3.45Å; I257-F518 HydrophobicContact CD1-CD1 4.28Å; I257-F518 HydrophobicContact CD1-CE1 4.04Å; I257-F518 HydrophobicContact CG1-CD1 4.43Å; I257-F518 HydrophobicContact CG1-CE1 4.29Å; I257-F518 HydrophobicContact CG1-CZ 4.43Å; T513-F518 HydrophobicContact CG2-CB 3.83Å; T513-F518 HydrophobicContact CG2-CD2 4.41Å; T513-F518 PolarHBondContact N-O 3.1Å; T513-F518 PolarHBondContact OG1-N 2.85Å; T513-F518 PolarHBondContact OG1-O 2.86Å; G516-F518 VanDerWaalsContact C-N 3.26Å; G516-F518 PolarHBondContact O-N 2.89Å; G516-F518 VanDerWaalsContact O-N 3.16Å; F518-F520 HydrophobicContact CB-CD2 4.33Å; F518-F520 HydrophobicContact CB-CE2 3.97Å; F518-V530 HydrophobicContact CB-CG1 4.12Å; F518-V530 HydrophobicContact CD1-CG1 4.14Å; F518-V530 HydrophobicContact CG-CG1 4.45Å; F518-W531 VanDerWaalsContact CA-O 3.27Å; F518-W531 WeakPolarHBondContact CA-O 3.37Å; F518-V539 HydrophobicContact CD1-CG2 4.45Å; F518-V539 HydrophobicContact CE1-CG1 4.43Å; F518-V539 HydrophobicContact CE1-CG2 4.21Å
519I93.4Very high89.3Confident0 Ų018.6 Ų18.60%010%0.1CC..EExtended strand (participates in β ladder)trans-101.4134.9164.5-67.5157.1000108.1L477 L485 Y498 F512 V530 W531 T533L477-I519 HydrophobicContact CD1-CD1 3.87Å; L477-I519 HydrophobicContact CD1-CG1 4.33Å; L477-I519 HydrophobicContact CD1-CG2 4.42Å; L477-I519 HydrophobicContact CD2-CG1 4.47Å; L477-I519 HydrophobicContact CD2-CG2 4.15Å; L485-I519 HydrophobicContact CD2-CG2 3.72Å; Y498-I519 HydrophobicContact CD2-CD1 4.05Å; Y498-I519 HydrophobicContact CE1-CD1 4.21Å; Y498-I519 HydrophobicContact CE2-CD1 3.55Å; F512-I519 HydrophobicContact CD1-CG1 3.63Å; F512-I519 HydrophobicContact CE1-CD1 3.91Å; F512-I519 HydrophobicContact CE1-CG1 3.47Å; F512-I519 VanDerWaalsContact CE1-CG1 3.47Å; F512-I519 HydrophobicContact CZ-CG1 4.45Å; I519-V530 WeakPolarHBondContact O-CA 3.48Å; I519-W531 HydrophobicContact CB-CE3 4.35Å; I519-W531 HydrophobicContact CG2-CE3 4.07Å; I519-W531 HydrophobicContact CG2-CZ3 4.28Å; I519-W531 PolarHBondContact N-O 2.9Å; I519-W531 PolarHBondContact O-N 3.2Å; I519-T533 HydrophobicContact CD1-CG2 3.72Å; I519-T533 HydrophobicContact CG1-CG2 3.63Å
520F92.9Very high89.5Confident0 Ų017.9 Ų17.90%010%0.097CC..EExtended strand (participates in β ladder)trans-111.8142.8168.8-75.7-117.1000109.4I257 S510 T511 T513 F518 Y529 V530 Y542 V554 F556 V563 F565I257-F520 HydrophobicContact CG2-CZ 4.35Å; S510-F520 CarbonylContact C-O 3.6Å; S510-F520 VanDerWaalsContact CA-O 3.28Å; S510-F520 WeakPolarHBondContact CA-O 3.41Å; T511-F520 HydrophobicContact CG2-CB 3.99Å; T511-F520 PolarHBondContact N-O 3.11Å; T511-F520 PolarHBondContact O-N 2.58Å; T513-F520 HydrophobicContact CG2-CD2 3.87Å; T513-F520 HydrophobicContact CG2-CE2 3.5Å; F518-F520 HydrophobicContact CB-CD2 4.33Å; F518-F520 HydrophobicContact CB-CE2 3.97Å; F520-Y529 WeakPolarHBondContact CA-O 3.28Å; F520-V530 HydrophobicContact CD1-CG2 3.66Å; F520-V530 HydrophobicContact CD2-CG1 4.05Å; F520-V530 HydrophobicContact CD2-CG2 4.43Å; F520-V530 HydrophobicContact CE1-CG1 4.48Å; F520-V530 HydrophobicContact CE1-CG2 3.6Å; F520-V530 HydrophobicContact CE2-CG1 3.77Å; F520-V530 HydrophobicContact CE2-CG2 4.33Å; F520-V530 HydrophobicContact CG-CG1 4.48Å; F520-V530 HydrophobicContact CG-CG2 4.1Å; F520-V530 HydrophobicContact CZ-CG1 4.02Å; F520-V530 HydrophobicContact CZ-CG2 3.93Å; F520-Y542 HydrophobicContact CD1-CE2 4.25Å; F520-Y542 AromaticContact CE1-CE2 3.86Å; F520-Y542 HydrophobicContact CE1-CE2 3.86Å; F520-Y542 WeakPolarHBondContact CE1-OH 3.47Å; F520-V554 HydrophobicContact CB-CG1 3.93Å; F520-F556 HydrophobicContact CD2-CD2 4.19Å; F520-F556 HydrophobicContact CE1-CD2 4.39Å; F520-F556 HydrophobicContact CE1-CE2 4.4Å; F520-F556 AromaticContact CE2-CD2 3.91Å; F520-F556 HydrophobicContact CE2-CD2 3.91Å; F520-F556 AromaticContact CE2-CE2 3.85Å; F520-F556 HydrophobicContact CE2-CE2 3.85Å; F520-F556 HydrophobicContact CZ-CD2 4.02Å; F520-F556 AromaticContact CZ-CE2 3.75Å; F520-F556 HydrophobicContact CZ-CE2 3.75Å; F520-V563 HydrophobicContact CD1-CB 4.45Å; F520-V563 HydrophobicContact CD1-CG2 3.82Å; F520-V563 HydrophobicContact CE1-CB 4.26Å; F520-V563 HydrophobicContact CE1-CG1 4.1Å; F520-V563 HydrophobicContact CE1-CG2 4.13Å; F520-V563 HydrophobicContact CG-CG2 4.49Å; F520-F565 HydrophobicContact CD1-CZ 4.18Å
521S92.4Very high89.6Confident0 Ų017.8 Ų17.80%010%0.097CC..EExtended strand (participates in β ladder)trans-149.5159.7174-161.80000111.8H479 S510 G528 Y529H479-S521 PolarHBondContact CE1-OG 3.32Å; S510-S521 WeakPolarHBondContact OG-CB 3.24Å; S510-S521 PolarHBondContact OG-OG 3.22Å; S521-G528 CarbonylContact O-C 2.92Å; S521-G528 WeakPolarHBondContact O-CA 3.13Å; S521-Y529 PolarHBondContact N-O 3.5Å; S521-Y529 PolarHBondContact O-N 3.07Å
522G90Very high89.5Confident0 Ų018.8 Ų18.80%010%0.101CC..EExtended strand (participates in β ladder)trans-86.4171.4164.400000112.2I527G522-I527 CarbonylContact C-O 3.59Å
523S90.9Very high89.3Confident0 Ų018.8 Ų18.80%010%0.102CC..  trans-130.7167.8162.678.60000112T502 D525 G526 I527 A550 V551T502-S523 WeakPolarHBondContact O-CA 3.12Å; S523-D525 VanDerWaalsContact CB-OD2 3.24Å; S523-D525 WeakPolarHBondContact CB-OD2 3.48Å; S523-D525 PolarHBondContact O-N 2.86Å; S523-D525 WeakPolarHBondContact OG-CB 3.47Å; S523-D525 VanDerWaalsContact OG-CG 3.31Å; S523-D525 PolarHBondContact OG-N 3.49Å; S523-D525 PolarHBondContact OG-OD2 3.12Å; S523-G526 PolarHBondContact O-N 3.28Å; S523-I527 PolarHBondContact N-O 2.85Å; S523-I527 PolarHBondContact OG-O 2.72Å; S523-A550 WeakPolarHBondContact O-CA 3.36Å; S523-V551 PolarHBondContact O-N 3.48Å
524E88.4Confident88.9Confident45 Ų4521.7 Ų21.721%0.2112%0.117CC..THydrogen-bonded Turntrans-67.2-19.2171.5-66.8179.5179.700112.4T502 Y504 R505 E506 I508 G526 A550T502-E524 PolarHBondContact O-N 2.96Å; T502-E524 PolarHBondContact OG1-N 3.12Å; Y504-E524 PolarHBondContact N-OE1 3.31Å; R505-E524 WeakPolarHBondContact CA-OE1 3.3Å; R505-E524 PolarHBondContact N-OE1 2.85Å; E506-E524 HydrophobicContact CB-CG 4.31Å; E506-E524 HydrophobicContact CG-CG 4.44Å; E506-E524 PolarHBondContact N-OE1 2.79Å; I508-E524 HydrophobicContact CD1-CG 3.98Å; E524-G526 PolarHBondContact O-N 2.9Å; E524-A550 HydrophobicContact CB-CB 4.45Å; E524-A550 HydrophobicContact CG-CB 4.33Å
525D86.2Confident88.8Confident83 Ų8323.1 Ų23.144%0.44413%0.125SC..THydrogen-bonded Turntrans-75.7-1.5178.7-25.5-65.6000113.6T502 S523 I527T502-D525 VanDerWaalsContact CG2-OD1 3.25Å; T502-D525 WeakPolarHBondContact CG2-OD1 3.39Å; T502-D525 PolarHBondContact OG1-N 2.68Å; T502-D525 PolarHBondContact OG1-OD1 2.74Å; T502-D525 PolarHBondContact OG1-OD2 2.84Å; S523-D525 VanDerWaalsContact CB-OD2 3.24Å; S523-D525 WeakPolarHBondContact CB-OD2 3.48Å; S523-D525 PolarHBondContact O-N 2.86Å; S523-D525 WeakPolarHBondContact OG-CB 3.47Å; S523-D525 VanDerWaalsContact OG-CG 3.31Å; S523-D525 PolarHBondContact OG-N 3.49Å; S523-D525 PolarHBondContact OG-OD2 3.12Å; D525-I527 HydrophobicContact CB-CD1 4.21Å; D525-I527 HydrophobicContact CB-CG1 4.37Å
526G84.4Confident88.9Confident3 Ų322.3 Ų22.33%0.03112%0.123CC..SBendtrans82.511.8-175.800000114.6S523 E524 S549 V551S523-G526 PolarHBondContact O-N 3.28Å; E524-G526 PolarHBondContact O-N 2.9Å; G526-S549 VanDerWaalsContact CA-O 3.31Å; G526-S549 WeakPolarHBondContact CA-O 3.21Å; G526-V551 VanDerWaalsContact C-CG2 3.47Å
527I89.9Confident88.9Confident38 Ų3827 Ų2720%0.19515%0.148CC..  trans-108.7144.5-171.8-63.7173.4000110.8G522 S523 D525 Y529 V541 T543G522-I527 CarbonylContact C-O 3.59Å; S523-I527 PolarHBondContact N-O 2.85Å; S523-I527 PolarHBondContact OG-O 2.72Å; D525-I527 HydrophobicContact CB-CD1 4.21Å; D525-I527 HydrophobicContact CB-CG1 4.37Å; I527-Y529 HydrophobicContact CB-CD2 4.39Å; I527-Y529 HydrophobicContact CB-CE2 3.72Å; I527-Y529 HydrophobicContact CG2-CD2 3.92Å; I527-Y529 HydrophobicContact CG2-CE2 3.43Å; I527-Y529 VanDerWaalsContact CG2-CE2 3.43Å; I527-V541 HydrophobicContact CG2-CG1 3.29Å; I527-T543 HydrophobicContact CD1-CG2 4.37Å
528G90.9Very high89Confident0 Ų029.5 Ų29.50%016%0.159CC..EExtended strand (participates in β ladder)trans-95.7130.6171.400000111.9S521 V541 Y542S521-G528 CarbonylContact O-C 2.92Å; S521-G528 WeakPolarHBondContact O-CA 3.13Å; G528-V541 CarbonylContact O-C 3.57Å; G528-V541 WeakPolarHBondContact O-CA 3.38Å; G528-Y542 PolarHBondContact N-O 3.42Å; G528-Y542 PolarHBondContact O-N 2.93Å
529Y92.3Very high88.7Confident27 Ų2731.8 Ų31.811%0.10617%0.174CC..EExtended strand (participates in β ladder)trans-113.8144.7-178.3-72.9-103.1000112G500 A501 F520 S521 I527 W531G500-Y529 WeakPolarHBondContact O-CE1 3.41Å; G500-Y529 PolarHBondContact O-OH 3.5Å; A501-Y529 HydrophobicContact CB-CD1 4.47Å; A501-Y529 HydrophobicContact CB-CD2 3.68Å; A501-Y529 HydrophobicContact CB-CE2 4.15Å; A501-Y529 HydrophobicContact CB-CG 3.88Å; F520-Y529 WeakPolarHBondContact CA-O 3.28Å; S521-Y529 PolarHBondContact N-O 3.5Å; S521-Y529 PolarHBondContact O-N 3.07Å; I527-Y529 HydrophobicContact CB-CD2 4.39Å; I527-Y529 HydrophobicContact CB-CE2 3.72Å; I527-Y529 HydrophobicContact CG2-CD2 3.92Å; I527-Y529 HydrophobicContact CG2-CE2 3.43Å; I527-Y529 VanDerWaalsContact CG2-CE2 3.43Å; Y529-W531 HydrophobicContact CD1-CZ2 4.32Å; Y529-W531 HydrophobicContact CG-CH2 4.24Å; Y529-W531 HydrophobicContact CG-CZ2 4.27Å
530V93Very high88.3Confident0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-131130.5176.5-169.30000111.1I257 F518 I519 F520 Q538 V539 A540 Y542I257-V530 HydrophobicContact CD1-CG1 3.99Å; I257-V530 HydrophobicContact CG1-CG1 4.33Å; F518-V530 HydrophobicContact CB-CG1 4.12Å; F518-V530 HydrophobicContact CD1-CG1 4.14Å; F518-V530 HydrophobicContact CG-CG1 4.45Å; I519-V530 WeakPolarHBondContact O-CA 3.48Å; F520-V530 HydrophobicContact CD1-CG2 3.66Å; F520-V530 HydrophobicContact CD2-CG1 4.05Å; F520-V530 HydrophobicContact CD2-CG2 4.43Å; F520-V530 HydrophobicContact CE1-CG1 4.48Å; F520-V530 HydrophobicContact CE1-CG2 3.6Å; F520-V530 HydrophobicContact CE2-CG1 3.77Å; F520-V530 HydrophobicContact CE2-CG2 4.33Å; F520-V530 HydrophobicContact CG-CG1 4.48Å; F520-V530 HydrophobicContact CG-CG2 4.1Å; F520-V530 HydrophobicContact CZ-CG1 4.02Å; F520-V530 HydrophobicContact CZ-CG2 3.93Å; V530-Q538 CarbonylContact O-C 3.5Å; V530-Q538 WeakPolarHBondContact O-CA 2.94Å; V530-V539 PolarHBondContact O-N 2.89Å; V530-A540 HydrophobicContact CB-CB 4.12Å; V530-A540 HydrophobicContact CG2-CB 4.1Å; V530-A540 PolarHBondContact N-O 2.98Å; V530-Y542 HydrophobicContact CG2-CD2 4.26Å; V530-Y542 HydrophobicContact CG2-CE2 3.59Å
531W93.6Very high88.1Confident3 Ų335.9 Ų35.91%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-123.4150.7173.5-51.9-101.7000111.9L485 Y498 T499 A501 F518 I519 Y529 D537L485-W531 HydrophobicContact CD1-CH2 3.93Å; L485-W531 HydrophobicContact CD1-CZ3 4.44Å; L485-W531 HydrophobicContact CD2-CH2 4.17Å; L485-W531 HydrophobicContact CD2-CZ3 3.84Å; Y498-W531 HydrophobicContact CD1-CB 3.65Å; Y498-W531 AromaticContact CD1-CG 3.89Å; Y498-W531 HydrophobicContact CD1-CG 3.89Å; Y498-W531 HydrophobicContact CE1-CB 4.15Å; Y498-W531 HydrophobicContact CG-CB 4.47Å; Y498-W531 HydrophobicContact CG-CG 4.35Å; T499-W531 PolarHBondContact O-NE1 3.15Å; A501-W531 HydrophobicContact CB-CH2 3.69Å; A501-W531 HydrophobicContact CB-CZ2 4Å; F518-W531 VanDerWaalsContact CA-O 3.27Å; F518-W531 WeakPolarHBondContact CA-O 3.37Å; I519-W531 HydrophobicContact CB-CE3 4.35Å; I519-W531 HydrophobicContact CG2-CE3 4.07Å; I519-W531 HydrophobicContact CG2-CZ3 4.28Å; I519-W531 PolarHBondContact N-O 2.9Å; I519-W531 PolarHBondContact O-N 3.2Å; Y529-W531 HydrophobicContact CD1-CZ2 4.32Å; Y529-W531 HydrophobicContact CG-CH2 4.24Å; Y529-W531 HydrophobicContact CG-CZ2 4.27Å; W531-D537 CarbonylContact C-O 3.53Å; W531-D537 VanDerWaalsContact CA-O 3.26Å; W531-D537 WeakPolarHBondContact CA-O 3.18Å
532N89.9Confident87.7Confident34 Ų3436.7 Ų36.718%0.18221%0.205CC..EExtended strand (participates in β ladder)trans-81.7126.8170.7-178.5-39.2000110.1N517 D534 T535 G536 D537 V539N517-N532 WeakPolarHBondContact O-CA 3.35Å; N532-D534 WeakPolarHBondContact OD1-CA 3.31Å; N532-D534 WeakPolarHBondContact OD1-CB 2.95Å; N532-D534 PolarHBondContact OD1-N 2.95Å; N532-T535 WeakPolarHBondContact CB-OG1 3.18Å; N532-T535 PolarHBondContact OD1-N 3.33Å; N532-G536 WeakPolarHBondContact O-CA 3.2Å; N532-G536 PolarHBondContact O-N 2.98Å; N532-D537 PolarHBondContact N-O 3.05Å; N532-V539 HydrophobicContact CB-CG2 3.71Å
533T86.7Confident87.3Confident7 Ų741.2 Ų41.24%0.04323%0.233CC..THydrogen-bonded Turntrans-75.2-27.6-177.253.20000113.9M487 K496 Y498 F512 G516 N517 I519M487-T533 HydrophobicContact SD-CG2 4.35Å; K496-T533 PolarHBondContact NZ-O 3.15Å; Y498-T533 WeakPolarHBondContact OH-CA 3.46Å; Y498-T533 PolarHBondContact OH-O 3.03Å; F512-T533 HydrophobicContact CD1-CG2 4.26Å; F512-T533 HydrophobicContact CE1-CG2 3.9Å; G516-T533 WeakPolarHBondContact O-CB 3.49Å; G516-T533 WeakPolarHBondContact O-CG2 3.49Å; G516-T533 PolarHBondContact O-OG1 3.48Å; N517-T533 VanDerWaalsContact C-OG1 3.23Å; N517-T533 VanDerWaalsContact CA-OG1 3.25Å; N517-T533 WeakPolarHBondContact CA-OG1 3.11Å; N517-T533 PolarHBondContact O-N 2.73Å; N517-T533 PolarHBondContact O-OG1 2.79Å; I519-T533 HydrophobicContact CD1-CG2 3.72Å; I519-T533 HydrophobicContact CG1-CG2 3.63Å
534D83.3Confident86.3Confident63 Ų6348.1 Ų48.134%0.33727%0.265SS..THydrogen-bonded Turntrans-75.6-56177.6-62.7-53000110.4K496 N517 N532K496-D534 VanDerWaalsContact NZ-C 3.25Å; K496-D534 PolarHBondContact NZ-O 2.91Å; N517-D534 PolarHBondContact ND2-OD2 2.72Å; N532-D534 WeakPolarHBondContact OD1-CA 3.31Å; N532-D534 WeakPolarHBondContact OD1-CB 2.95Å; N532-D534 PolarHBondContact OD1-N 2.95Å
535T81.8Confident85.6Confident78 Ų7846 Ų4648%0.47926%0.255SS..THydrogen-bonded Turntrans-80.8-46.1-176.368.30000112.3K496 N532 D537K496-T535 PolarHBondContact NZ-O 3.4Å; K496-T535 VanDerWaalsContact NZ-O 3.17Å; N532-T535 WeakPolarHBondContact CB-OG1 3.18Å; N532-T535 PolarHBondContact OD1-N 3.33Å; T535-D537 WeakPolarHBondContact CB-OD2 3.35Å; T535-D537 VanDerWaalsContact OG1-CG 3.26Å; T535-D537 PolarHBondContact OG1-N 3.19Å; T535-D537 PolarHBondContact OG1-OD2 3.03Å
536G82.6Confident84.6Confident21 Ų2147.1 Ų47.122%0.21627%0.268CS..  trans108.2-11.4-174.900000113.5K496 N532K496-G536 VanDerWaalsContact NZ-CA 3.34Å; N532-G536 WeakPolarHBondContact O-CA 3.2Å; N532-G536 PolarHBondContact O-N 2.98Å
537D85.5Confident84.4Confident100 Ų10047.9 Ų47.954%0.53527%0.27SS..  trans-71146.3-173.6-44.7-51.4000111.6W531 N532 T535 V539W531-D537 CarbonylContact C-O 3.53Å; W531-D537 VanDerWaalsContact CA-O 3.26Å; W531-D537 WeakPolarHBondContact CA-O 3.18Å; N532-D537 PolarHBondContact N-O 3.05Å; T535-D537 WeakPolarHBondContact CB-OD2 3.35Å; T535-D537 VanDerWaalsContact OG1-CG 3.26Å; T535-D537 PolarHBondContact OG1-N 3.19Å; T535-D537 PolarHBondContact OG1-OD2 3.03Å; D537-V539 WeakPolarHBondContact O-CG2 3.29Å
538Q88.6Confident83.5Confident93 Ų9357.2 Ų57.244%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-73.3122.6167.1-176178.9-16.800108.9V530 V541V530-Q538 CarbonylContact O-C 3.5Å; V530-Q538 WeakPolarHBondContact O-CA 2.94Å; Q538-V541 HydrophobicContact CG-CG2 4.41Å
539V86.3Confident83.1Confident72 Ų7259.3 Ų59.344%0.43632%0.317SS..EExtended strand (participates in β ladder)trans-107.4-32.5-169.6-167.60000112.7I257 F518 V530 N532 D537I257-V539 HydrophobicContact CD1-CB 3.83Å; I257-V539 HydrophobicContact CD1-CG1 3.51Å; F518-V539 HydrophobicContact CD1-CG2 4.45Å; F518-V539 HydrophobicContact CE1-CG1 4.43Å; F518-V539 HydrophobicContact CE1-CG2 4.21Å; V530-V539 PolarHBondContact O-N 2.89Å; N532-V539 HydrophobicContact CB-CG2 3.71Å; D537-V539 WeakPolarHBondContact O-CG2 3.29Å
540A84.8Confident82.9Confident25 Ų2558.2 Ų58.221%0.20731%0.314CS..EExtended strand (participates in β ladder)trans-151.1156.4-179.800000111.7I257 V530I257-A540 HydrophobicContact CD1-CB 3.94Å; I257-A540 HydrophobicContact CG2-CB 3.8Å; V530-A540 HydrophobicContact CB-CB 4.12Å; V530-A540 HydrophobicContact CG2-CB 4.1Å; V530-A540 PolarHBondContact N-O 2.98Å
541V87.6Confident82.8Confident62 Ų6258.2 Ų58.238%0.37631%0.314SS..EExtended strand (participates in β ladder)trans-139.6123179.3-173.60000108.6I527 G528 Q538 T543I527-V541 HydrophobicContact CG2-CG1 3.29Å; G528-V541 CarbonylContact O-C 3.57Å; G528-V541 WeakPolarHBondContact O-CA 3.38Å; Q538-V541 HydrophobicContact CG-CG2 4.41Å; V541-T543 HydrophobicContact CG1-CG2 3.97Å; V541-T543 PolarHBondContact O-N 3.07Å
542Y85.1Confident82.6Confident17 Ų1758.3 Ų58.37%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-93.887.2175.9-61.3-94.8000109.2I257 P258 F520 G528 V530 L545 F565 Y577I257-Y542 VanDerWaalsContact CG2-OH 3.28Å; I257-Y542 WeakPolarHBondContact CG2-OH 3.49Å; P258-Y542 WeakPolarHBondContact CD-OH 3.45Å; P258-Y542 WeakPolarHBondContact O-CE1 3.46Å; P258-Y542 PolarHBondContact O-OH 2.77Å; F520-Y542 HydrophobicContact CD1-CE2 4.25Å; F520-Y542 AromaticContact CE1-CE2 3.86Å; F520-Y542 HydrophobicContact CE1-CE2 3.86Å; F520-Y542 WeakPolarHBondContact CE1-OH 3.47Å; G528-Y542 PolarHBondContact N-O 3.42Å; G528-Y542 PolarHBondContact O-N 2.93Å; V530-Y542 HydrophobicContact CG2-CD2 4.26Å; V530-Y542 HydrophobicContact CG2-CE2 3.59Å; Y542-L545 WeakPolarHBondContact O-CG 3.32Å; Y542-F565 HydrophobicContact CD1-CE2 4.13Å; Y542-F565 HydrophobicContact CD1-CZ 4.47Å; Y542-F565 HydrophobicContact CD2-CE1 4.49Å; Y542-F565 HydrophobicContact CD2-CE2 4.04Å; Y542-F565 AromaticContact CD2-CZ 3.56Å; Y542-F565 HydrophobicContact CD2-CZ 3.56Å; Y542-F565 HydrophobicContact CE1-CE2 4.22Å; Y542-F565 HydrophobicContact CE2-CE2 4.14Å; Y542-F565 AromaticContact CE2-CZ 3.68Å; Y542-F565 HydrophobicContact CE2-CZ 3.68Å; Y542-F565 HydrophobicContact CG-CE2 4.03Å; Y542-F565 AromaticContact CG-CZ 3.98Å; Y542-F565 HydrophobicContact CG-CZ 3.98Å; Y542-Y577 HydrophobicContact CD1-CD1 4.07Å; Y542-Y577 HydrophobicContact CD1-CE1 4.02Å; Y542-Y577 HydrophobicContact CD1-CG 4.38Å; Y542-Y577 AromaticContact CE1-CD1 3.89Å; Y542-Y577 HydrophobicContact CE1-CD1 3.89Å; Y542-Y577 HydrophobicContact CE1-CE1 4.3Å; Y542-Y577 HydrophobicContact CE1-CG 4.1Å
543T81.1Confident82.5Confident95 Ų9556.7 Ų56.758%0.58331%0.306SS*.  trans-80.4-27.9171.250.60000112.2I527 V541 L545I527-T543 HydrophobicContact CD1-CG2 4.37Å; V541-T543 HydrophobicContact CG1-CG2 3.97Å; V541-T543 PolarHBondContact O-N 3.07Å; T543-L545 PolarHBondContact O-N 3.1Å
544E70.8Confident82.8Confident145 Ų14556.7 Ų56.768%0.67831%0.306SS*.THydrogen-bonded Turntrans-71.43.5-178.7-59-169.1162.200114.7C546E544-C546 PolarHBondContact O-N 2.9Å; E544-C546 PolarHBondContact O-SG 2.84Å; E544-C546 VanDerWaalsContact O-SG 3.33Å
545L74.1Confident83.3Confident0 Ų054 Ų540%029%0.292CS..THydrogen-bonded Turntrans-62.3-21.9174.2-61.8179.6000113.1Y542 T543 Y547 V551 F565 H575 Y577Y542-L545 WeakPolarHBondContact O-CG 3.32Å; T543-L545 PolarHBondContact O-N 3.1Å; L545-Y547 HydrophobicContact CB-CD2 3.51Å; L545-Y547 HydrophobicContact CB-CE2 3.81Å; L545-Y547 HydrophobicContact CB-CG 4.31Å; L545-Y547 HydrophobicContact CD1-CD2 4.04Å; L545-Y547 HydrophobicContact CD1-CE2 4.09Å; L545-Y547 HydrophobicContact CD2-CE2 4.33Å; L545-Y547 HydrophobicContact CG-CD2 4.31Å; L545-Y547 HydrophobicContact CG-CE2 4.3Å; L545-Y547 PolarHBondContact O-N 2.83Å; L545-V551 HydrophobicContact CD1-CG2 4.02Å; L545-F565 HydrophobicContact CD1-CB 4.5Å; L545-F565 HydrophobicContact CD1-CD1 4.27Å; L545-F565 HydrophobicContact CD1-CG 4.21Å; L545-F565 HydrophobicContact CD2-CB 4.23Å; L545-F565 HydrophobicContact CD2-CD2 3.69Å; L545-F565 HydrophobicContact CD2-CE2 4.2Å; L545-F565 HydrophobicContact CD2-CG 4.03Å; L545-H575 PolarHBondContact O-CD2 3.22Å; L545-Y577 HydrophobicContact CD2-CD2 4.38Å; L545-Y577 HydrophobicContact CD2-CE2 3.49Å; L545-Y577 VanDerWaalsContact CD2-CE2 3.49Å
546C65.3Low83.8Confident106 Ų10650.8 Ų50.872%0.71627%0.271SS*.  trans5518.7177-61.40000115.3E544E544-C546 PolarHBondContact O-N 2.9Å; E544-C546 PolarHBondContact O-SG 2.84Å; E544-C546 VanDerWaalsContact O-SG 3.33Å
547Y79.9Confident84.2Confident20 Ų2049.8 Ų49.88%0.07826%0.261CS..  trans-69.2140.9178-68.3-49.8000111.4L545 V551 F565 A567 Q572 P573 H575L545-Y547 HydrophobicContact CB-CD2 3.51Å; L545-Y547 HydrophobicContact CB-CE2 3.81Å; L545-Y547 HydrophobicContact CB-CG 4.31Å; L545-Y547 HydrophobicContact CD1-CD2 4.04Å; L545-Y547 HydrophobicContact CD1-CE2 4.09Å; L545-Y547 HydrophobicContact CD2-CE2 4.33Å; L545-Y547 HydrophobicContact CG-CD2 4.31Å; L545-Y547 HydrophobicContact CG-CE2 4.3Å; L545-Y547 PolarHBondContact O-N 2.83Å; Y547-V551 HydrophobicContact CD2-CG2 3.66Å; Y547-V551 HydrophobicContact CE2-CG2 4.24Å; Y547-F565 HydrophobicContact CE2-CB 4.2Å; Y547-F565 PolarHBondContact OH-O 2.88Å; Y547-F565 VanDerWaalsContact OH-O 3.1Å; Y547-A567 HydrophobicContact CD1-CB 3.5Å; Y547-A567 VanDerWaalsContact CD1-CB 3.5Å; Y547-A567 HydrophobicContact CD2-CB 3.97Å; Y547-A567 HydrophobicContact CE1-CB 3.83Å; Y547-A567 HydrophobicContact CE2-CB 4.26Å; Y547-A567 HydrophobicContact CG-CB 3.57Å; Y547-Q572 HydrophobicContact CD1-CB 4.26Å; Y547-Q572 HydrophobicContact CE1-CB 4.33Å; Y547-P573 HydrophobicContact CE1-CG 4.21Å; Y547-P573 WeakPolarHBondContact CE1-O 3.47Å; Y547-P573 PolarHBondContact OH-O 2.7Å; Y547-H575 AromaticContact CZ-CD2 3.87Å; Y547-H575 PolarHBondContact OH-N 3.45Å
548R70.2Confident84.2Confident234 Ų23446.6 Ų46.688%0.88325%0.246SC*.SBendtrans-99.814.9177.4-59.9-176.1-178.6178.7-0.8112.5
549S83.4Confident83.9Confident43 Ų4346 Ų4630%0.30124%0.243SC..SBendtrans-159.3168.9-170.4-166.70000109.2G526 F568G526-S549 VanDerWaalsContact CA-O 3.31Å; G526-S549 WeakPolarHBondContact CA-O 3.21Å; S549-F568 WeakPolarHBondContact CB-O 3.35Å; S549-F568 PolarHBondContact OG-O 3.34Å
550A87.3Confident83.8Confident5 Ų543.6 Ų43.64%0.04123%0.227CC..  trans-56.3142.2-179.200000112.7E506 S523 E524 H552 A567E506-A550 HydrophobicContact CB-CB 4.39Å; E506-A550 HydrophobicContact CG-CB 4.09Å; S523-A550 WeakPolarHBondContact O-CA 3.36Å; E524-A550 HydrophobicContact CB-CB 4.45Å; E524-A550 HydrophobicContact CG-CB 4.33Å; A550-H552 PolarHBondContact O-CD2 3.07Å; A550-H552 PolarHBondContact O-N 2.93Å; A550-A567 WeakPolarHBondContact O-CA 3.19Å; A550-A567 WeakPolarHBondContact O-CB 3.25Å
551V90.6Very high83.9Confident0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-82.2101.7170.6-178.60000107.8I508 S523 G526 L545 Y547 V554 F565 C566I508-V551 WeakPolarHBondContact CG2-O 3.45Å; S523-V551 PolarHBondContact O-N 3.48Å; G526-V551 VanDerWaalsContact C-CG2 3.47Å; L545-V551 HydrophobicContact CD1-CG2 4.02Å; Y547-V551 HydrophobicContact CD2-CG2 3.66Å; Y547-V551 HydrophobicContact CE2-CG2 4.24Å; V551-V554 HydrophobicContact CG1-CG2 4Å; V551-F565 HydrophobicContact CG1-CB 4.37Å; V551-F565 HydrophobicContact CG1-CD1 4.04Å; V551-C566 CarbonylContact C-O 3.55Å
552H89.8Confident84Confident5 Ų540.5 Ų40.52%0.02321%0.205CC..EExtended strand (participates in β ladder)trans-84-48.9-175.2-71-91.1000112.7F273 E506 R507 Y509 A550 C566 F568F273-H552 WeakPolarHBondContact O-CB 3.27Å; E506-H552 IonicContact OE2-CE1 3.24Å; E506-H552 PolarHBondContact OE2-CE1 3.08Å; R507-H552 PolarHBondContact O-ND1 2.87Å; Y509-H552 WeakPolarHBondContact CB-O 3.43Å; Y509-H552 PolarHBondContact N-O 3.16Å; A550-H552 PolarHBondContact O-CD2 3.07Å; A550-H552 PolarHBondContact O-N 2.93Å; H552-C566 PolarHBondContact N-O 2.6Å; H552-F568 PolarHBondContact CD2-N 2.85Å
553G87.8Confident84.3Confident0 Ų039.7 Ų39.70%020%0.202CC..EExtended strand (participates in β ladder)trans-105.8130.5-174.200000111.9F565 C566G553-F565 CarbonylContact O-C 3.59Å; G553-F565 WeakPolarHBondContact O-CA 3.49Å; G553-C566 VanDerWaalsContact CA-SG 3.58Å; G553-C566 PolarHBondContact N-O 2.87Å; G553-C566 PolarHBondContact O-N 3.39Å
554V93.1Very high84.8Confident7 Ų735.1 Ų35.14%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-135.6125.7171.3-166.90000109.6T511 F520 V551 V563 A564 F565T511-V554 HydrophobicContact CG2-CB 4.42Å; T511-V554 HydrophobicContact CG2-CG1 4Å; F520-V554 HydrophobicContact CB-CG1 3.93Å; V551-V554 HydrophobicContact CG1-CG2 4Å; V554-V563 HydrophobicContact CG1-CG2 3.98Å; V554-A564 WeakPolarHBondContact CA-O 3.01Å; V554-F565 HydrophobicContact CB-CD1 4.37Å; V554-F565 HydrophobicContact CG1-CD1 3.79Å; V554-F565 HydrophobicContact CG1-CE1 3.65Å; V554-F565 HydrophobicContact CG2-CD1 3.83Å; V554-F565 HydrophobicContact CG2-CE1 4.17Å
555S93.3Very high85.9Confident5 Ų528.2 Ų28.24%0.03514%0.142CC..EExtended strand (participates in β ladder)trans-136.7135.2-179.6-166.60000110.7V275 F277 V563 A564V275-S555 WeakPolarHBondContact O-CB 3.44Å; F277-S555 WeakPolarHBondContact CE2-O 3.39Å; F277-S555 PolarHBondContact N-OG 3.09Å; S555-V563 CarbonylContact O-C 3.15Å; S555-V563 WeakPolarHBondContact O-CA 3.4Å; S555-V563 WeakPolarHBondContact O-CG2 3.35Å; S555-A564 PolarHBondContact N-O 3.48Å; S555-A564 PolarHBondContact O-N 3.07Å
556F92.3Very high86.7Confident11 Ų1128.2 Ų28.25%0.04814%0.142CC..EExtended strand (participates in β ladder)trans-108137.3178.3-161.8-78.4000110.6C255 P258 T511 T513 P514 F520 E560 V563C255-F556 HydrophobicContact CB-CZ 4.41Å; P258-F556 HydrophobicContact CG-CE2 4.16Å; T511-F556 HydrophobicContact CG2-CB 4.08Å; T513-F556 HydrophobicContact CG2-CD1 4.26Å; T513-F556 HydrophobicContact CG2-CD2 3.73Å; T513-F556 HydrophobicContact CG2-CE1 4.21Å; T513-F556 HydrophobicContact CG2-CE2 3.67Å; T513-F556 HydrophobicContact CG2-CG 4.02Å; T513-F556 HydrophobicContact CG2-CZ 3.92Å; P514-F556 HydrophobicContact CG-CD1 4.09Å; F520-F556 HydrophobicContact CD2-CD2 4.19Å; F520-F556 HydrophobicContact CE1-CD2 4.39Å; F520-F556 HydrophobicContact CE1-CE2 4.4Å; F520-F556 AromaticContact CE2-CD2 3.91Å; F520-F556 HydrophobicContact CE2-CD2 3.91Å; F520-F556 AromaticContact CE2-CE2 3.85Å; F520-F556 HydrophobicContact CE2-CE2 3.85Å; F520-F556 HydrophobicContact CZ-CD2 4.02Å; F520-F556 AromaticContact CZ-CE2 3.75Å; F520-F556 HydrophobicContact CZ-CE2 3.75Å; F556-E560 WeakPolarHBondContact CE1-O 3.36Å; F556-V563 HydrophobicContact CD2-CB 3.9Å; F556-V563 HydrophobicContact CD2-CG2 4.15Å; F556-V563 HydrophobicContact CE2-CB 4.36Å
557H90.9Very high87.9Confident0 Ų023.2 Ų23.20%011%0.107CC..  trans-71.2129.6-174.6-176.7-99.7000112.1W247 F277 G281 H559 E560 M562W247-H557 AromaticContact CD2-CE1 3.7Å; W247-H557 AromaticContact CE2-CE1 3.59Å; W247-H557 AromaticContact CE2-NE2 3.82Å; W247-H557 AromaticContact CE3-CE1 3.91Å; W247-H557 AromaticContact CH2-CE1 3.98Å; W247-H557 AromaticContact CH2-NE2 3.72Å; W247-H557 AromaticContact CZ2-CE1 3.76Å; W247-H557 AromaticContact CZ2-NE2 3.52Å; F277-H557 HydrophobicContact CD1-CB 4.47Å; F277-H557 AromaticContact CD1-CD2 3.68Å; F277-H557 HydrophobicContact CD2-CB 4.14Å; F277-H557 HydrophobicContact CE1-CB 4.41Å; F277-H557 AromaticContact CE1-CD2 3.86Å; F277-H557 HydrophobicContact CE2-CB 4.08Å; F277-H557 HydrophobicContact CG-CB 4.33Å; F277-H557 HydrophobicContact CZ-CB 4.22Å; G281-H557 WeakPolarHBondContact CA-NE2 3.39Å; G281-H557 PolarHBondContact O-CD2 2.86Å; G281-H557 PolarHBondContact O-NE2 2.8Å; G281-H557 VanDerWaalsContact O-NE2 3.08Å; H557-H559 VanDerWaalsContact C-N 3.34Å; H557-H559 PolarHBondContact ND1-N 2.88Å; H557-H559 PolarHBondContact O-N 3.34Å; H557-E560 VanDerWaalsContact ND1-CB 3.29Å; H557-E560 WeakPolarHBondContact ND1-CB 3.32Å; H557-E560 PolarHBondContact ND1-N 3.29Å; H557-M562 HydrophobicContact CB-CB 3.76Å; H557-M562 HydrophobicContact CB-CG 4.34Å; H557-M562 WeakPolarHBondContact CB-O 3.2Å; H557-M562 PolarHBondContact N-O 3.21Å
558P85.6Confident88.2Confident34 Ų3425 Ų2522%0.22112%0.116CC..THydrogen-bonded Turntrans-57-39.9-173.3-30.137.2000115.2R249 S278 P514R249-P558 PolarHBondContact NH1-O 3.31Å; S278-P558 WeakPolarHBondContact O-CG 3.34Å; P514-P558 WeakPolarHBondContact CG-O 3.27Å
559H83.1Confident88.8Confident81 Ų8114.5 Ų14.538%0.3758%0.08SC..THydrogen-bonded Turntrans-111.2-1.3-167.4-62-42.9000115.3W247 R249 H279 A280 H557W247-H559 HydrophobicContact CB-CB 4.06Å; W247-H559 AromaticContact CD1-CD2 3.81Å; W247-H559 AromaticContact CD1-CG 3.94Å; W247-H559 HydrophobicContact CG-CB 3.8Å; W247-H559 AromaticContact NE1-CD2 3.95Å; R249-H559 WeakPolarHBondContact CB-O 3.39Å; H279-H559 PolarHBondContact O-NE2 2.98Å; A280-H559 PolarHBondContact O-CD2 2.89Å; H557-H559 VanDerWaalsContact C-N 3.34Å; H557-H559 PolarHBondContact ND1-N 2.88Å; H557-H559 PolarHBondContact O-N 3.34Å
560E84.1Confident88.7Confident20 Ų2019.9 Ų19.99%0.09310%0.101CC..SBendtrans-145.9161.7-175.5-167.2151.8-103.500110.5W247 N248 F556 H557 M562W247-E560 HydrophobicContact CE3-CB 4.38Å; N248-E560 VanDerWaalsContact CB-OE1 3.27Å; N248-E560 WeakPolarHBondContact CB-OE1 3.35Å; N248-E560 PolarHBondContact N-OE1 2.78Å; N248-E560 PolarHBondContact ND2-OE1 2.7Å; F556-E560 WeakPolarHBondContact CE1-O 3.36Å; H557-E560 VanDerWaalsContact ND1-CB 3.29Å; H557-E560 WeakPolarHBondContact ND1-CB 3.32Å; H557-E560 PolarHBondContact ND1-N 3.29Å; E560-M562 PolarHBondContact O-N 3.34Å
561N86.6Confident88.3Confident18 Ų1824.2 Ų24.210%0.09613%0.131CC..SBendtrans-81.377175.5-64.2-39.9000109R249 C255 R256 Y579R249-N561 WeakPolarHBondContact CD-OD1 3.47Å; C255-N561 WeakPolarHBondContact CA-OD1 3.47Å; R256-N561 VanDerWaalsContact N-CG 3.33Å; R256-N561 PolarHBondContact N-OD1 2.89Å; N561-Y579 HydrophobicContact CB-CG 4.31Å; N561-Y579 PolarHBondContact O-N 2.87Å
562M88.9Confident88.1Confident4 Ų425 Ų252%0.0214%0.135CC..EExtended strand (participates in β ladder)trans-140.4139.6-177.9178.7-169.2-53.100109.4F277 I301 H557 E560 V576 Y577 V578F277-M562 HydrophobicContact CE1-SD 3.87Å; F277-M562 HydrophobicContact CZ-CG 4.04Å; F277-M562 HydrophobicContact CZ-SD 3.79Å; I301-M562 HydrophobicContact CG2-CE 3.83Å; I301-M562 HydrophobicContact CG2-SD 3.7Å; H557-M562 HydrophobicContact CB-CB 3.76Å; H557-M562 HydrophobicContact CB-CG 4.34Å; H557-M562 WeakPolarHBondContact CB-O 3.2Å; H557-M562 PolarHBondContact N-O 3.21Å; E560-M562 PolarHBondContact O-N 3.34Å; M562-V576 HydrophobicContact CG-CG1 3.43Å; M562-V576 VanDerWaalsContact CG-CG1 3.43Å; M562-V576 HydrophobicContact SD-CG1 3.61Å; M562-Y577 CarbonylContact C-O 3.42Å; M562-Y577 VanDerWaalsContact CA-O 3.23Å; M562-Y577 WeakPolarHBondContact CA-O 3.15Å; M562-Y577 WeakPolarHBondContact CG-O 3.34Å; M562-V578 HydrophobicContact CE-CG2 4.11Å; M562-V578 HydrophobicContact CG-CG2 4.12Å
563V92.3Very high88Confident0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-135.7138.5179.766.80000110.2P258 F520 V554 S555 F556 F565 V576 Y577P258-V563 HydrophobicContact CB-CG1 4.08Å; P258-V563 HydrophobicContact CG-CB 4.26Å; P258-V563 HydrophobicContact CG-CG1 3.83Å; F520-V563 HydrophobicContact CD1-CB 4.45Å; F520-V563 HydrophobicContact CD1-CG2 3.82Å; F520-V563 HydrophobicContact CE1-CB 4.26Å; F520-V563 HydrophobicContact CE1-CG1 4.1Å; F520-V563 HydrophobicContact CE1-CG2 4.13Å; F520-V563 HydrophobicContact CG-CG2 4.49Å; V554-V563 HydrophobicContact CG1-CG2 3.98Å; S555-V563 CarbonylContact O-C 3.15Å; S555-V563 WeakPolarHBondContact O-CA 3.4Å; S555-V563 WeakPolarHBondContact O-CG2 3.35Å; F556-V563 HydrophobicContact CD2-CB 3.9Å; F556-V563 HydrophobicContact CD2-CG2 4.15Å; F556-V563 HydrophobicContact CE2-CB 4.36Å; V563-F565 HydrophobicContact CG1-CD2 4.26Å; V563-F565 HydrophobicContact CG1-CE2 3.53Å; V563-F565 HydrophobicContact CG1-CZ 4.03Å; V563-F565 HydrophobicContact CG2-CE2 4.19Å; V563-F565 HydrophobicContact CG2-CZ 4.11Å; V563-V576 CarbonylContact O-C 3.54Å; V563-V576 WeakPolarHBondContact O-CA 3.27Å; V563-Y577 PolarHBondContact N-O 2.9Å; V563-Y577 PolarHBondContact O-N 2.67Å
564A92Very high88Confident0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-108131.417400000109.8V275 F277 L284 V554 S555 H575 V576V275-A564 HydrophobicContact CG2-CB 4.28Å; F277-A564 HydrophobicContact CE2-CB 3.65Å; F277-A564 HydrophobicContact CZ-CB 3.87Å; L284-A564 HydrophobicContact CD1-CB 4.11Å; L284-A564 HydrophobicContact CD2-CB 4.17Å; V554-A564 WeakPolarHBondContact CA-O 3.01Å; S555-A564 PolarHBondContact N-O 3.48Å; S555-A564 PolarHBondContact O-N 3.07Å; A564-H575 CarbonylContact C-O 3.56Å; A564-H575 WeakPolarHBondContact CA-O 3.3Å; A564-V576 HydrophobicContact CB-CG2 4.08Å
565F92.8Very high87.8Confident0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-115.3145.5171.8-62.2-81.5000109.6F520 Y542 L545 Y547 V551 G553 V554 V563 V574 H575 Y577F520-F565 HydrophobicContact CD1-CZ 4.18Å; Y542-F565 HydrophobicContact CD1-CE2 4.13Å; Y542-F565 HydrophobicContact CD1-CZ 4.47Å; Y542-F565 HydrophobicContact CD2-CE1 4.49Å; Y542-F565 HydrophobicContact CD2-CE2 4.04Å; Y542-F565 AromaticContact CD2-CZ 3.56Å; Y542-F565 HydrophobicContact CD2-CZ 3.56Å; Y542-F565 HydrophobicContact CE1-CE2 4.22Å; Y542-F565 HydrophobicContact CE2-CE2 4.14Å; Y542-F565 AromaticContact CE2-CZ 3.68Å; Y542-F565 HydrophobicContact CE2-CZ 3.68Å; Y542-F565 HydrophobicContact CG-CE2 4.03Å; Y542-F565 AromaticContact CG-CZ 3.98Å; Y542-F565 HydrophobicContact CG-CZ 3.98Å; L545-F565 HydrophobicContact CD1-CB 4.5Å; L545-F565 HydrophobicContact CD1-CD1 4.27Å; L545-F565 HydrophobicContact CD1-CG 4.21Å; L545-F565 HydrophobicContact CD2-CB 4.23Å; L545-F565 HydrophobicContact CD2-CD2 3.69Å; L545-F565 HydrophobicContact CD2-CE2 4.2Å; L545-F565 HydrophobicContact CD2-CG 4.03Å; Y547-F565 HydrophobicContact CE2-CB 4.2Å; Y547-F565 PolarHBondContact OH-O 2.88Å; Y547-F565 VanDerWaalsContact OH-O 3.1Å; V551-F565 HydrophobicContact CG1-CB 4.37Å; V551-F565 HydrophobicContact CG1-CD1 4.04Å; G553-F565 CarbonylContact O-C 3.59Å; G553-F565 WeakPolarHBondContact O-CA 3.49Å; V554-F565 HydrophobicContact CB-CD1 4.37Å; V554-F565 HydrophobicContact CG1-CD1 3.79Å; V554-F565 HydrophobicContact CG1-CE1 3.65Å; V554-F565 HydrophobicContact CG2-CD1 3.83Å; V554-F565 HydrophobicContact CG2-CE1 4.17Å; V563-F565 HydrophobicContact CG1-CD2 4.26Å; V563-F565 HydrophobicContact CG1-CE2 3.53Å; V563-F565 HydrophobicContact CG1-CZ 4.03Å; V563-F565 HydrophobicContact CG2-CE2 4.19Å; V563-F565 HydrophobicContact CG2-CZ 4.11Å; F565-V574 WeakPolarHBondContact O-CG1 3.45Å; F565-H575 PolarHBondContact N-O 3.38Å; F565-H575 PolarHBondContact O-N 2.86Å; F565-Y577 HydrophobicContact CD2-CD2 4.04Å; F565-Y577 HydrophobicContact CD2-CE2 4.38Å; F565-Y577 HydrophobicContact CE2-CD2 4.17Å
566C91.3Very high87.6Confident0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-141.5151.2166.277.60000113.2C272 V275 V551 H552 G553 V574C272-C566 HydrophobicContact CB-CB 3.87Å; C272-C566 PolarHBondContact O-SG 3.01Å; V275-C566 HydrophobicContact CG1-CB 3.87Å; V275-C566 HydrophobicContact CG2-CB 4.35Å; V551-C566 CarbonylContact C-O 3.55Å; H552-C566 PolarHBondContact N-O 2.6Å; G553-C566 VanDerWaalsContact CA-SG 3.58Å; G553-C566 PolarHBondContact N-O 2.87Å; G553-C566 PolarHBondContact O-N 3.39Å; C566-V574 HydrophobicContact CB-CG1 4.42Å; C566-V574 HydrophobicContact CB-CG2 3.98Å
567A90.5Very high87.4Confident0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-123.7151172.600000110.6C272 Y547 A550 Q572C272-A567 PolarHBondContact N-O 2.94Å; C272-A567 CarbonylContact O-C 3.47Å; C272-A567 VanDerWaalsContact O-C 3.25Å; Y547-A567 HydrophobicContact CD1-CB 3.5Å; Y547-A567 VanDerWaalsContact CD1-CB 3.5Å; Y547-A567 HydrophobicContact CD2-CB 3.97Å; Y547-A567 HydrophobicContact CE1-CB 3.83Å; Y547-A567 HydrophobicContact CE2-CB 4.26Å; Y547-A567 HydrophobicContact CG-CB 3.57Å; A550-A567 WeakPolarHBondContact O-CA 3.19Å; A550-A567 WeakPolarHBondContact O-CB 3.25Å; A567-Q572 HydrophobicContact CB-CB 4.22Å; A567-Q572 HydrophobicContact CB-CG 4.24Å; A567-Q572 WeakPolarHBondContact O-CB 3.41Å
568F87.4Confident87.2Confident57 Ų5728.7 Ų28.725%0.2516%0.156CC..BIsolated β-bridgetrans-99.9129.6172174.2-106.9000108.9M270 C272 F273 A289 S549 H552M270-F568 HydrophobicContact CB-CD2 4.4Å; M270-F568 HydrophobicContact CB-CE2 3.7Å; M270-F568 HydrophobicContact CB-CZ 4.39Å; M270-F568 WeakPolarHBondContact O-CD2 3.47Å; M270-F568 VanDerWaalsContact O-CE2 3.31Å; M270-F568 WeakPolarHBondContact O-CE2 3.26Å; C272-F568 PolarHBondContact O-N 3.07Å; F273-F568 HydrophobicContact CD1-CB 4.2Å; F273-F568 HydrophobicContact CD1-CG 4.23Å; F273-F568 AromaticContact CD2-CD2 3.7Å; F273-F568 HydrophobicContact CD2-CD2 3.7Å; F273-F568 HydrophobicContact CD2-CE2 4.13Å; F273-F568 HydrophobicContact CD2-CG 4.19Å; F273-F568 HydrophobicContact CE1-CB 4.07Å; F273-F568 AromaticContact CE1-CD1 3.77Å; F273-F568 HydrophobicContact CE1-CD1 3.77Å; F273-F568 HydrophobicContact CE1-CD2 4.1Å; F273-F568 HydrophobicContact CE1-CE1 4.24Å; F273-F568 AromaticContact CE1-CG 3.69Å; F273-F568 HydrophobicContact CE1-CG 3.69Å; F273-F568 HydrophobicContact CE2-CB 4.48Å; F273-F568 HydrophobicContact CE2-CD1 4.14Å; F273-F568 AromaticContact CE2-CD2 3.15Å; F273-F568 HydrophobicContact CE2-CD2 3.15Å; F273-F568 HydrophobicContact CE2-CE1 4.17Å; F273-F568 AromaticContact CE2-CE2 3.21Å; F273-F568 HydrophobicContact CE2-CE2 3.21Å; F273-F568 AromaticContact CE2-CG 3.67Å; F273-F568 HydrophobicContact CE2-CG 3.67Å; F273-F568 AromaticContact CE2-CZ 3.74Å; F273-F568 HydrophobicContact CE2-CZ 3.74Å; F273-F568 HydrophobicContact CG-CB 4.46Å; F273-F568 HydrophobicContact CG-CD2 4.37Å; F273-F568 HydrophobicContact CG-CG 4.46Å; F273-F568 HydrophobicContact CZ-CB 4.23Å; F273-F568 AromaticContact CZ-CD1 3.45Å; F273-F568 HydrophobicContact CZ-CD1 3.45Å; F273-F568 VanDerWaalsContact CZ-CD1 3.45Å; F273-F568 AromaticContact CZ-CD2 3.4Å; F273-F568 HydrophobicContact CZ-CD2 3.4Å; F273-F568 AromaticContact CZ-CE1 3.52Å; F273-F568 HydrophobicContact CZ-CE1 3.52Å; F273-F568 AromaticContact CZ-CE2 3.48Å; F273-F568 HydrophobicContact CZ-CE2 3.48Å; F273-F568 VanDerWaalsContact CZ-CE2 3.48Å; F273-F568 AromaticContact CZ-CG 3.39Å; F273-F568 HydrophobicContact CZ-CG 3.39Å; F273-F568 AromaticContact CZ-CZ 3.54Å; F273-F568 HydrophobicContact CZ-CZ 3.54Å; A289-F568 HydrophobicContact CB-CD2 4.2Å; A289-F568 HydrophobicContact CB-CE2 3.79Å; S549-F568 WeakPolarHBondContact CB-O 3.35Å; S549-F568 PolarHBondContact OG-O 3.34Å; H552-F568 PolarHBondContact CD2-N 2.85Å
569G82.1Confident87.1Confident14 Ų1429.4 Ų29.414%0.14416%0.155CC..SBendtrans155.4170.6-174.700000112.2M270 G271 S571 Q572M270-G569 CarbonylContact C-O 3.57Å; M270-G569 WeakPolarHBondContact CA-O 3.2Å; M270-G569 CarbonylContact O-C 3.54Å; M270-G569 PolarHBondContact O-N 3.21Å; G271-G569 PolarHBondContact N-O 2.72Å; G569-S571 PolarHBondContact O-N 3.4Å; G569-S571 VanDerWaalsContact O-N 3.12Å; G569-Q572 PolarHBondContact O-N 2.76Å
570Q80.5Confident86.9Confident156 Ų15627.3 Ų27.373%0.72915%0.147SC*.THydrogen-bonded Turntrans-57.1120.8-177-69.9-178.620.600112M270 Q572M270-Q570 HydrophobicContact CE-CB 4.31Å; M270-Q570 HydrophobicContact CE-CG 3.48Å; M270-Q570 VanDerWaalsContact CE-CG 3.48Å; Q570-Q572 PolarHBondContact O-N 2.74Å; Q570-Q572 VanDerWaalsContact O-N 3.13Å; Q570-Q572 PolarHBondContact O-NE2 2.82Å
571S80.3Confident86.1Confident97 Ų9730.8 Ų30.868%0.67816%0.163SC*.THydrogen-bonded Turntrans52.529.5176.9-54.50000115.6K269 G569K269-S571 PolarHBondContact O-N 2.77Å; G569-S571 PolarHBondContact O-N 3.4Å; G569-S571 VanDerWaalsContact O-N 3.12Å
572Q84.9Confident85.1Confident16 Ų1637.3 Ų37.38%0.07519%0.191CC..PPolyproline II helixtrans-74131.3176.4-56.3-55.8-90.600110.9G271 Y547 A567 G569 Q570G271-Q572 WeakPolarHBondContact CA-O 3.32Å; Y547-Q572 HydrophobicContact CD1-CB 4.26Å; Y547-Q572 HydrophobicContact CE1-CB 4.33Å; A567-Q572 HydrophobicContact CB-CB 4.22Å; A567-Q572 HydrophobicContact CB-CG 4.24Å; A567-Q572 WeakPolarHBondContact O-CB 3.41Å; G569-Q572 PolarHBondContact O-N 2.76Å; Q570-Q572 PolarHBondContact O-N 2.74Å; Q570-Q572 VanDerWaalsContact O-N 3.13Å; Q570-Q572 PolarHBondContact O-NE2 2.82Å
573P87.4Confident84.1Confident34 Ų3439 Ų3922%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-81.8165.8174.733.6-36.8000112.8F265 Y547 H575F265-P573 CarbonylContact O-C 3.55Å; F265-P573 VanDerWaalsContact O-CA 3.22Å; F265-P573 WeakPolarHBondContact O-CA 3.45Å; F265-P573 VanDerWaalsContact O-CB 3.3Å; F265-P573 WeakPolarHBondContact O-CB 3.34Å; Y547-P573 HydrophobicContact CE1-CG 4.21Å; Y547-P573 WeakPolarHBondContact CE1-O 3.47Å; Y547-P573 PolarHBondContact OH-O 2.7Å; P573-H575 WeakPolarHBondContact CG-CE1 3.44Å; P573-H575 WeakPolarHBondContact CG-NE2 3.36Å
574V88.6Confident82.5Confident0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-88.5132.3158.5-179.50000107.6A264 F265 C272 V275 A286 F565 C566A264-V574 CarbonylContact C-O 3.14Å; A264-V574 VanDerWaalsContact CA-O 3.31Å; A264-V574 WeakPolarHBondContact CA-O 3.32Å; F265-V574 HydrophobicContact CB-CB 4.19Å; F265-V574 HydrophobicContact CD2-CB 4.21Å; F265-V574 HydrophobicContact CD2-CG1 4.19Å; F265-V574 PolarHBondContact N-O 2.56Å; F265-V574 PolarHBondContact O-N 3.08Å; C272-V574 HydrophobicContact CB-CG2 4.07Å; C272-V574 WeakPolarHBondContact SG-CG2 3.43Å; V275-V574 HydrophobicContact CG1-CG1 3.93Å; V275-V574 HydrophobicContact CG1-CG2 4.16Å; A286-V574 HydrophobicContact CB-CG2 4.38Å; F565-V574 WeakPolarHBondContact O-CG1 3.45Å; C566-V574 HydrophobicContact CB-CG1 4.42Å; C566-V574 HydrophobicContact CB-CG2 3.98Å
575H88.9Confident80.9Confident22 Ų2245.1 Ų45.110%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-114.3125.7179.7-75.7-30.3000111.4H261 L545 Y547 A564 F565 P573 Y577H261-H575 AromaticContact CE1-ND1 3.79Å; H261-H575 AromaticContact NE2-CE1 3.43Å; H261-H575 PolarHBondContact NE2-CE1 2.93Å; H261-H575 AromaticContact NE2-CG 3.51Å; H261-H575 AromaticContact NE2-ND1 3.12Å; H261-H575 PolarHBondContact NE2-ND1 3.42Å; H261-H575 VanDerWaalsContact NE2-ND1 3.12Å; H261-H575 AromaticContact NE2-NE2 3.96Å; L545-H575 PolarHBondContact O-CD2 3.22Å; Y547-H575 AromaticContact CZ-CD2 3.87Å; Y547-H575 PolarHBondContact OH-N 3.45Å; A564-H575 CarbonylContact C-O 3.56Å; A564-H575 WeakPolarHBondContact CA-O 3.3Å; F565-H575 PolarHBondContact N-O 3.38Å; F565-H575 PolarHBondContact O-N 2.86Å; P573-H575 WeakPolarHBondContact CG-CE1 3.44Å; P573-H575 WeakPolarHBondContact CG-NE2 3.36Å; H575-Y577 HydrophobicContact CB-CE2 4.09Å
576V89.9Confident79.3Confident0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-110.8118.6175.9-176.60000109.3G262 L263 F265 F277 L284 M562 V563 A564G262-V576 WeakPolarHBondContact CA-O 3.47Å; G262-V576 PolarHBondContact N-O 2.85Å; L263-V576 HydrophobicContact CB-CB 4.21Å; L263-V576 PolarHBondContact N-O 2.66Å; L263-V576 VanDerWaalsContact N-O 3.08Å; L263-V576 PolarHBondContact O-N 2.74Å; F265-V576 HydrophobicContact CD2-CG2 4.29Å; F265-V576 HydrophobicContact CE2-CG2 3.64Å; F265-V576 HydrophobicContact CZ-CG2 4.46Å; F277-V576 HydrophobicContact CZ-CG1 4.37Å; L284-V576 HydrophobicContact CD2-CG2 4.04Å; M562-V576 HydrophobicContact CG-CG1 3.43Å; M562-V576 VanDerWaalsContact CG-CG1 3.43Å; M562-V576 HydrophobicContact SD-CG1 3.61Å; V563-V576 CarbonylContact O-C 3.54Å; V563-V576 WeakPolarHBondContact O-CA 3.27Å; A564-V576 HydrophobicContact CB-CG2 4.08Å
577Y88.1Confident77.8Confident7 Ų753.6 Ų53.63%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-98.8142.6174-75.4-109.2000110K260 H261 Y542 L545 M562 V563 F565 H575K260-Y577 CarbonylContact O-C 3.52Å; K260-Y577 VanDerWaalsContact O-CA 3.28Å; K260-Y577 WeakPolarHBondContact O-CA 3.17Å; H261-Y577 HydrophobicContact CB-CD1 4.49Å; H261-Y577 HydrophobicContact CB-CE1 4.11Å; H261-Y577 AromaticContact CD2-CE2 3.91Å; H261-Y577 AromaticContact CD2-CZ 3.78Å; Y542-Y577 HydrophobicContact CD1-CD1 4.07Å; Y542-Y577 HydrophobicContact CD1-CE1 4.02Å; Y542-Y577 HydrophobicContact CD1-CG 4.38Å; Y542-Y577 AromaticContact CE1-CD1 3.89Å; Y542-Y577 HydrophobicContact CE1-CD1 3.89Å; Y542-Y577 HydrophobicContact CE1-CE1 4.3Å; Y542-Y577 HydrophobicContact CE1-CG 4.1Å; L545-Y577 HydrophobicContact CD2-CD2 4.38Å; L545-Y577 HydrophobicContact CD2-CE2 3.49Å; L545-Y577 VanDerWaalsContact CD2-CE2 3.49Å; M562-Y577 CarbonylContact C-O 3.42Å; M562-Y577 VanDerWaalsContact CA-O 3.23Å; M562-Y577 WeakPolarHBondContact CA-O 3.15Å; M562-Y577 WeakPolarHBondContact CG-O 3.34Å; V563-Y577 PolarHBondContact N-O 2.9Å; V563-Y577 PolarHBondContact O-N 2.67Å; F565-Y577 HydrophobicContact CD2-CD2 4.04Å; F565-Y577 HydrophobicContact CD2-CE2 4.38Å; F565-Y577 HydrophobicContact CE2-CD2 4.17Å; H575-Y577 HydrophobicContact CB-CE2 4.09Å
578V86.5Confident75.9Confident42 Ų4260.4 Ų60.426%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-123.8146.8178.1-172.80000108.7N259 K260 M562 D580N259-V578 PolarHBondContact N-O 3.05Å; K260-V578 WeakPolarHBondContact CB-O 3.35Å; K260-V578 PolarHBondContact N-O 2.79Å; K260-V578 PolarHBondContact O-N 2.58Å; M562-V578 HydrophobicContact CE-CG2 4.11Å; M562-V578 HydrophobicContact CG-CG2 4.12Å; V578-D580 PolarHBondContact O-N 2.83Å
579Y83.9Confident74Confident49 Ų4963.2 Ų63.219%0.19232%0.321CS..  trans-77114.7172179.2-106.7000111.4R256 I257 N561 H581 S584R256-Y579 HydrophobicContact CB-CD1 4.25Å; R256-Y579 HydrophobicContact CB-CD2 3.96Å; R256-Y579 HydrophobicContact CB-CE1 4.37Å; R256-Y579 HydrophobicContact CB-CE2 4.1Å; R256-Y579 HydrophobicContact CB-CG 4.03Å; R256-Y579 VanDerWaalsContact CD-CE1 3.43Å; R256-Y579 VanDerWaalsContact CD-CZ 3.45Å; R256-Y579 PolarHBondContact NH1-OH 3.16Å; I257-Y579 WeakPolarHBondContact O-CD2 3.37Å; N561-Y579 HydrophobicContact CB-CG 4.31Å; N561-Y579 PolarHBondContact O-N 2.87Å; Y579-H581 HydrophobicContact CE1-CB 4.05Å; Y579-H581 PolarHBondContact OH-ND1 2.85Å; Y579-H581 VanDerWaalsContact OH-ND1 3.17Å; Y579-S584 PolarHBondContact OH-OG 3.11Å
580D77.1Confident72.4Confident38 Ų3866.1 Ų66.120%0.20333%0.333CS..  trans-108.4116170-171.9-22.4000109.7N259 K260 V578 K582 V583 S584N259-D580 PolarHBondContact ND2-O 2.72Å; N259-D580 PolarHBondContact OD1-N 2.94Å; N259-D580 PolarHBondContact OD1-O 3.28Å; K260-D580 HydrophobicContact CB-CB 3.98Å; K260-D580 HydrophobicContact CD-CB 3.51Å; K260-D580 WeakPolarHBondContact CD-OD2 3.35Å; K260-D580 HydrophobicContact CG-CB 4.41Å; K260-D580 IonicContact NZ-OD2 2.75Å; K260-D580 PolarHBondContact NZ-OD2 2.85Å; V578-D580 PolarHBondContact O-N 2.83Å; D580-K582 PolarHBondContact O-N 2.74Å; D580-K582 WeakPolarHBondContact OD1-CB 3.39Å; D580-K582 PolarHBondContact OD1-N 3.19Å; D580-V583 HydrophobicContact CB-CB 4.17Å; D580-V583 HydrophobicContact CB-CG2 3.86Å; D580-V583 PolarHBondContact O-N 3.35Å; D580-S584 PolarHBondContact O-N 3.28Å; D580-S584 VanDerWaalsContact O-N 3.1Å
581H67.6Low70.8Confident93 Ų9363.6 Ų63.643%0.43133%0.325SS..Hα-helixtrans-62.3-31.4-179.4-170.533.7000112.2Y579 S584 Q585Y579-H581 HydrophobicContact CE1-CB 4.05Å; Y579-H581 PolarHBondContact OH-ND1 2.85Å; Y579-H581 VanDerWaalsContact OH-ND1 3.17Å; H581-S584 WeakPolarHBondContact CA-OG 3.41Å; H581-S584 PolarHBondContact ND1-OG 3.28Å; H581-S584 PolarHBondContact O-N 3.34Å; H581-S584 PolarHBondContact O-OG 2.96Å; H581-Q585 PolarHBondContact NE2-NE2 2.8Å; H581-Q585 PolarHBondContact O-N 2.93Å; H581-Q585 VanDerWaalsContact O-N 3.1Å
582K65.6Low69.1Low155 Ų15563.6 Ų63.667%0.67432%0.317SS*.Hα-helixtrans-66.3-42.4177.2-62.1-179.8179.7179.40111D580 S584 Q585 L586D580-K582 PolarHBondContact O-N 2.74Å; D580-K582 WeakPolarHBondContact OD1-CB 3.39Å; D580-K582 PolarHBondContact OD1-N 3.19Å; K582-S584 VanDerWaalsContact C-N 3.29Å; K582-S584 PolarHBondContact O-N 3.42Å; K582-Q585 PolarHBondContact O-N 2.87Å; K582-Q585 VanDerWaalsContact O-N 3.17Å; K582-L586 WeakPolarHBondContact O-CB 3.4Å; K582-L586 PolarHBondContact O-N 3.31Å
583V67.7Low66.8Low38 Ų3867.2 Ų67.223%0.2333%0.334CS..Hα-helixtrans-60.2-42.3173.7-179.60000109.6K260 D580 Q585 L586 E587K260-V583 HydrophobicContact CB-CG2 4.28Å; K260-V583 HydrophobicContact CD-CG2 3.99Å; K260-V583 HydrophobicContact CG-CG2 4.24Å; D580-V583 HydrophobicContact CB-CB 4.17Å; D580-V583 HydrophobicContact CB-CG2 3.86Å; D580-V583 PolarHBondContact O-N 3.35Å; V583-Q585 VanDerWaalsContact C-N 3.26Å; V583-Q585 PolarHBondContact O-N 2.72Å; V583-L586 CarbonylContact O-C 3.52Å; V583-L586 WeakPolarHBondContact O-CA 3.49Å; V583-L586 PolarHBondContact O-N 3.03Å; V583-E587 HydrophobicContact CG1-CG 4.08Å; V583-E587 WeakPolarHBondContact O-CG 3.36Å; V583-E587 PolarHBondContact O-N 2.72Å
584S60Low64.4Low21 Ų2170.5 Ų70.515%0.14735%0.349CS..Hα-helixtrans-66.4-24.1178.2700000114.8N259 Y579 D580 H581 K582 E587 M588N259-S584 WeakPolarHBondContact ND2-CA 3.33Å; N259-S584 PolarHBondContact ND2-N 2.86Å; Y579-S584 PolarHBondContact OH-OG 3.11Å; D580-S584 PolarHBondContact O-N 3.28Å; D580-S584 VanDerWaalsContact O-N 3.1Å; H581-S584 WeakPolarHBondContact CA-OG 3.41Å; H581-S584 PolarHBondContact ND1-OG 3.28Å; H581-S584 PolarHBondContact O-N 3.34Å; H581-S584 PolarHBondContact O-OG 2.96Å; K582-S584 VanDerWaalsContact C-N 3.29Å; K582-S584 PolarHBondContact O-N 3.42Å; S584-E587 VanDerWaalsContact CA-OE2 3.28Å; S584-E587 WeakPolarHBondContact CA-OE2 3.18Å; S584-M588 WeakPolarHBondContact O-CG 3.4Å
585Q58.7Low62Low109 Ų10974.9 Ų74.951%0.50938%0.38SS..Hα-helixtrans-81.7-35.8171.7-66.9-178.211.300111.7H581 K582 V583 M588 H589H581-Q585 PolarHBondContact NE2-NE2 2.8Å; H581-Q585 PolarHBondContact O-N 2.93Å; H581-Q585 VanDerWaalsContact O-N 3.1Å; K582-Q585 PolarHBondContact O-N 2.87Å; K582-Q585 VanDerWaalsContact O-N 3.17Å; V583-Q585 VanDerWaalsContact C-N 3.26Å; V583-Q585 PolarHBondContact O-N 2.72Å; Q585-M588 PolarHBondContact O-N 3.15Å; Q585-H589 PolarHBondContact O-N 2.89Å
586L59.3Low59.6Low98 Ų9881.3 Ų81.351%0.51340%0.403SS..Hα-helixtrans-70.2-35.2174.2-96.4144.4000112.6K582 V583 M588 H589 N590K582-L586 WeakPolarHBondContact O-CB 3.4Å; K582-L586 PolarHBondContact O-N 3.31Å; V583-L586 CarbonylContact O-C 3.52Å; V583-L586 WeakPolarHBondContact O-CA 3.49Å; V583-L586 PolarHBondContact O-N 3.03Å; L586-M588 VanDerWaalsContact C-N 3.33Å; L586-H589 PolarHBondContact O-N 2.99Å; L586-N590 WeakPolarHBondContact O-CA 3.21Å; L586-N590 WeakPolarHBondContact O-CB 3.28Å; L586-N590 PolarHBondContact O-N 3.12Å; L586-N590 PolarHBondContact O-OD1 3.04Å
587E58.5Low57Low80 Ų8084.6 Ų84.637%0.37443%0.426SS..Hα-helixtrans-65.5-38.5172-70.5165.4128.900110.8N259 V583 S584 N591N259-E587 PolarHBondContact ND2-OE2 3.39Å; V583-E587 HydrophobicContact CG1-CG 4.08Å; V583-E587 WeakPolarHBondContact O-CG 3.36Å; V583-E587 PolarHBondContact O-N 2.72Å; S584-E587 VanDerWaalsContact CA-OE2 3.28Å; S584-E587 WeakPolarHBondContact CA-OE2 3.18Å; E587-N591 WeakPolarHBondContact O-CB 3.3Å; E587-N591 PolarHBondContact O-N 3.04Å; E587-N591 PolarHBondContact O-ND2 3.21Å
588M50.8Low54.3Low142 Ų14288.9 Ų88.970%0.746%0.463SS*.Hα-helixtrans-67.3-41.3174-70.4-77169.200112S584 Q585 L586 L592S584-M588 WeakPolarHBondContact O-CG 3.4Å; Q585-M588 PolarHBondContact O-N 3.15Å; L586-M588 VanDerWaalsContact C-N 3.33Å; M588-L592 PolarHBondContact O-N 2.82Å
589H47.5Very low52Low117 Ų11791.2 Ų91.254%0.54248%0.481SS..Hα-helixtrans-68.6-43.9173.4-105.177.7000112.5Q585 L586 N591 L592 E593Q585-H589 PolarHBondContact O-N 2.89Å; L586-H589 PolarHBondContact O-N 2.99Å; H589-N591 VanDerWaalsContact C-N 3.33Å; H589-N591 PolarHBondContact O-N 3.43Å; H589-L592 CarbonylContact O-C 3.58Å; H589-L592 VanDerWaalsContact O-C 3.3Å; H589-L592 VanDerWaalsContact O-CA 3.24Å; H589-L592 WeakPolarHBondContact O-CA 3.3Å; H589-L592 WeakPolarHBondContact O-CB 3.23Å; H589-L592 PolarHBondContact O-N 2.94Å; H589-E593 PolarHBondContact O-N 2.99Å
590N48.2Very low49.5Very low74 Ų7496 Ų9640%0.39651%0.509SS..Hα-helixtrans-67.6-31.6-179.5-72.37000111.5L586 L592 E593 L594L586-N590 WeakPolarHBondContact O-CA 3.21Å; L586-N590 WeakPolarHBondContact O-CB 3.28Å; L586-N590 PolarHBondContact O-N 3.12Å; L586-N590 PolarHBondContact O-OD1 3.04Å; N590-L592 VanDerWaalsContact C-N 3.31Å; N590-E593 CarbonylContact O-C 3.51Å; N590-E593 PolarHBondContact O-N 3.47Å; N590-L594 VanDerWaalsContact O-CB 3.23Å; N590-L594 WeakPolarHBondContact O-CB 3.4Å; N590-L594 WeakPolarHBondContact O-CD1 3.28Å; N590-L594 VanDerWaalsContact O-CG 3.28Å; N590-L594 WeakPolarHBondContact O-CG 3.45Å; N590-L594 PolarHBondContact O-N 2.82Å
591N47Very low47.1Very low103 Ų103100.5 Ų100.555%0.55153%0.533SS*.Hα-helixtrans-68.8-32.2168.4-77.1-54.4000111.9E587 H589 E593 S595E587-N591 WeakPolarHBondContact O-CB 3.3Å; E587-N591 PolarHBondContact O-N 3.04Å; E587-N591 PolarHBondContact O-ND2 3.21Å; H589-N591 VanDerWaalsContact C-N 3.33Å; H589-N591 PolarHBondContact O-N 3.43Å; N591-E593 VanDerWaalsContact C-N 3.26Å; N591-E593 PolarHBondContact O-N 2.93Å; N591-S595 WeakPolarHBondContact O-CB 3.27Å; N591-S595 PolarHBondContact O-N 2.8Å; N591-S595 PolarHBondContact O-OG 3.23Å
592L45.5Very low45.3Very low97 Ų97102.7 Ų102.751%0.50855%0.553SS.*Hα-helixtrans-71.9-15.2170-131.775.5000114M588 H589 N590 S595 R596M588-L592 PolarHBondContact O-N 2.82Å; H589-L592 CarbonylContact O-C 3.58Å; H589-L592 VanDerWaalsContact O-C 3.3Å; H589-L592 VanDerWaalsContact O-CA 3.24Å; H589-L592 WeakPolarHBondContact O-CA 3.3Å; H589-L592 WeakPolarHBondContact O-CB 3.23Å; H589-L592 PolarHBondContact O-N 2.94Å; N590-L592 VanDerWaalsContact C-N 3.31Å; L592-S595 WeakPolarHBondContact CA-OG 3.39Å; L592-S595 PolarHBondContact O-OG 2.91Å; L592-R596 WeakPolarHBondContact O-CD 3.37Å; L592-R596 WeakPolarHBondContact O-CG 3.39Å; L592-R596 PolarHBondContact O-NE 2.83Å
593E35.1Very low43.5Very low93 Ų93103.6 Ų103.644%0.43556%0.557SS.*Hα-helixtrans-108.5-25.1178.1-70.1-170.5169.200113.4H589 N590 N591 R596 S597H589-E593 PolarHBondContact O-N 2.99Å; N590-E593 CarbonylContact O-C 3.51Å; N590-E593 PolarHBondContact O-N 3.47Å; N591-E593 VanDerWaalsContact C-N 3.26Å; N591-E593 PolarHBondContact O-N 2.93Å; E593-R596 CarbonylContact O-C 3.59Å; E593-R596 WeakPolarHBondContact O-CA 3.49Å; E593-R596 WeakPolarHBondContact O-CB 3.46Å; E593-R596 PolarHBondContact O-N 3.37Å; E593-S597 WeakPolarHBondContact O-CB 3.13Å; E593-S597 PolarHBondContact O-N 2.86Å; E593-S597 PolarHBondContact O-OG 2.81Å
594L38Very low42.3Very low103 Ų103106.9 Ų106.954%0.53958%0.579SS.*Hα-helixtrans-69.9-37.4168.7-80.6159.6000110.6N590 R596 S597 A598N590-L594 VanDerWaalsContact O-CB 3.23Å; N590-L594 WeakPolarHBondContact O-CB 3.4Å; N590-L594 WeakPolarHBondContact O-CD1 3.28Å; N590-L594 VanDerWaalsContact O-CG 3.28Å; N590-L594 WeakPolarHBondContact O-CG 3.45Å; N590-L594 PolarHBondContact O-N 2.82Å; L594-R596 PolarHBondContact O-N 3.03Å; L594-R596 VanDerWaalsContact O-N 3.13Å; L594-S597 WeakPolarHBondContact CA-OG 3.39Å; L594-S597 PolarHBondContact O-N 2.86Å; L594-A598 WeakPolarHBondContact O-CB 3.47Å; L594-A598 PolarHBondContact O-N 3.03Å
595S38.8Very low40.7Very low92 Ų92111.9 Ų111.964%0.64361%0.609SS**Hα-helixtrans-65.6-4.3165.752.40000114N591 L592N591-S595 WeakPolarHBondContact O-CB 3.27Å; N591-S595 PolarHBondContact O-N 2.8Å; N591-S595 PolarHBondContact O-OG 3.23Å; L592-S595 WeakPolarHBondContact CA-OG 3.39Å; L592-S595 PolarHBondContact O-OG 2.91Å
596R38.1Very low39.1Very low157 Ų157115.6 Ų115.659%0.59263%0.626SS**Hα-helixtrans-109-39.2169.2-63.4171.9175.3166.2-0.3112.7L592 E593 L594 S599L592-R596 WeakPolarHBondContact O-CD 3.37Å; L592-R596 WeakPolarHBondContact O-CG 3.39Å; L592-R596 PolarHBondContact O-NE 2.83Å; E593-R596 CarbonylContact O-C 3.59Å; E593-R596 WeakPolarHBondContact O-CA 3.49Å; E593-R596 WeakPolarHBondContact O-CB 3.46Å; E593-R596 PolarHBondContact O-N 3.37Å; L594-R596 PolarHBondContact O-N 3.03Å; L594-R596 VanDerWaalsContact O-N 3.13Å; R596-S599 WeakPolarHBondContact O-CB 3.46Å; R596-S599 PolarHBondContact O-N 3.23Å; R596-S599 PolarHBondContact O-OG 3.37Å
597S35.8Very low37.5Very low69 Ų69117.8 Ų117.848%0.48364%0.638SS.*Hα-helixtrans-81.3-16.7-174.867.10000113.7E593 L594 S599 L600E593-S597 WeakPolarHBondContact O-CB 3.13Å; E593-S597 PolarHBondContact O-N 2.86Å; E593-S597 PolarHBondContact O-OG 2.81Å; L594-S597 WeakPolarHBondContact CA-OG 3.39Å; L594-S597 PolarHBondContact O-N 2.86Å; S597-S599 PolarHBondContact O-N 2.82Å; S597-L600 PolarHBondContact O-N 2.84Å
598A31.1Very low35.9Very low97 Ų97122.3 Ų122.380%0.80266%0.664SS**THydrogen-bonded Turntrans-59.71.8164.700000114.4L594L594-A598 WeakPolarHBondContact O-CB 3.47Å; L594-A598 PolarHBondContact O-N 3.03Å
599S38.1Very low34.6Very low91 Ų91126 Ų12664%0.63667%0.67SS**THydrogen-bonded Turntrans-100.7-15.9175.767.40000115.4R596 S597R596-S599 WeakPolarHBondContact O-CB 3.46Å; R596-S599 PolarHBondContact O-N 3.23Å; R596-S599 PolarHBondContact O-OG 3.37Å; S597-S599 PolarHBondContact O-N 2.82Å
600L31.6Very low33.6Very low150 Ų150127.9 Ų127.979%0.78568%0.684SS**  trans-150.1114.5-172.7-72.5175.3000113.6S597S597-L600 PolarHBondContact O-N 2.84Å
601D26.8Very low32.4Very low132 Ų132129.3 Ų129.371%0.70670%0.7SS**  trans-141.9110.9152.7-174.36.6000110.5
602T29Very low31.4Very low139 Ų139130.5 Ų130.585%0.85371%0.711SS**  trans-166.283.2159.51.10000111.4
603K27.1Very low30.4Very low173 Ų173131.3 Ų131.375%0.75272%0.72SS**  trans5.2160.1138.8-86.5172.3-174.2163.60121.1
604P42.6Very low29.9Very low107 Ų107133.8 Ų133.870%0.69574%0.735SS**  cis-148-174.7-941.7-21.6000117.7
605V26.7Very low29.2Very low127 Ų127135.9 Ų135.977%0.7774%0.742SS**  trans60.8115.8153.6-177.50000119.6
606Q26.7Very low28.5Very low186 Ų186137.7 Ų137.787%0.86974%0.744SS**  -162.6167.5102.6-143.1157.218.900113.2
607N24.3Very low28.1Very low145 Ų145136.3 Ų136.378%0.77575%0.754SS**  trans-88.5151.9-171.8-56.3-47.5000113.4
608L25.9Very low27.7Very low174 Ų174138.7 Ų138.791%0.91177%0.768SS**  -165.6159122.2-107.1158.5000111.8
609R23.4Very low27.9Very low219 Ų219140.3 Ų140.383%0.82677%0.767SS**  trans-92.3154.4167.9-69.8177.6168.9173.5-4.2108.9
610D25.2Very low27.6Very low157 Ų157141.5 Ų141.584%0.8477%0.773SS**  -170.7179.8103.4-94.5-18.3000112.1
611S22.8Very low28Very low104 Ų104138.8 Ų138.873%0.72777%0.767SS**  trans-121.1-166.7-169.765.20000111.8
612V27Very low28.6Very low128 Ų128138 Ų13878%0.77677%0.767SS**  trans75.7140.2-177.9-171.60000113.2
613V23.4Very low29.1Very low115 Ų115138.5 Ų138.570%0.69776%0.761SS**  cis163.1136.3-32.4142.70000106
614L26.5Very low29.7Very low145 Ų145135.8 Ų135.876%0.75976%0.755SS**  trans67.8132166.5-74.6163.6000121.6
615Q23.4Very low29.7Very low146 Ų146137 Ų13768%0.68275%0.752SS**  trans90.3122.4136.6-78.3-179.8-89.400123.6
616D23.6Very low30.2Very low130 Ų130136.5 Ų136.570%0.69574%0.739SS**  trans75.6123132.7-55.5-16000121.7
617T28.4Very low31Very low128 Ų128129.7 Ų129.779%0.78572%0.719SS**  trans-62.5151.6175.951.30000112.8
618P29.1Very low31.9Very low120 Ų120129 Ų12978%0.77971%0.711SS**  -130.2156.399.436.9-31.4000114.1
619T34.6Very low32.8Very low130 Ų130124.7 Ų124.780%0.79869%0.689SS**PPolyproline II helixtrans-77.3122.717850.50000112.4
620P32.5Very low33.7Very low117 Ų117116.9 Ų116.976%0.7667%0.67SS**PPolyproline II helixtrans-73.4152.4171.430.9-34.1000111.7
621S38.9Very low34.6Very low93 Ų93118.6 Ų118.665%0.6567%0.665SS**PPolyproline II helixtrans-85.1162.4-173.461.50000113.3M623S621-M623 PolarHBondContact O-N 2.9Å
622T39.1Very low36Very low115 Ų115118.9 Ų118.971%0.70666%0.658SS**THydrogen-bonded Turntrans-73.316.1-163.446.90000116.7
623M39Very low36.9Very low150 Ų150117.3 Ų117.374%0.73965%0.645SS**THydrogen-bonded Turntrans-97.1-34.8-179.3-67.8-15262.800114.6S621 Q625 F626S621-M623 PolarHBondContact O-N 2.9Å; M623-Q625 VanDerWaalsContact C-N 3.34Å; M623-Q625 PolarHBondContact O-N 3.01Å; M623-F626 PolarHBondContact O-N 2.93Å
624D40.1Very low38.1Very low116 Ų116117.7 Ų117.762%0.6264%0.643SS**Hα-helixtrans-70.8-26.2-176.5-75.9-43.4000114.2F626 G627 Q628D624-F626 PolarHBondContact O-N 3.17Å; D624-G627 PolarHBondContact O-N 3.34Å; D624-Q628 PolarHBondContact O-N 2.91Å
625Q42.9Very low39.2Very low133 Ų133118 Ų11862%0.62164%0.638SS**Hα-helixtrans-59.6-31.6177.2-77.6-173.2-23.400113.1M623 L629M623-Q625 VanDerWaalsContact C-N 3.34Å; M623-Q625 PolarHBondContact O-N 3.01Å; Q625-L629 WeakPolarHBondContact O-CG 3.45Å; Q625-L629 PolarHBondContact O-N 2.63Å; Q625-L629 VanDerWaalsContact O-N 3.09Å
626F38Very low40.5Very low116 Ų116117.3 Ų117.351%0.50964%0.636SS.*Hα-helixtrans-72.6-36.6179.7-82.9-87.6000112.6M623 D624 Q628 A630M623-F626 PolarHBondContact O-N 2.93Å; D624-F626 PolarHBondContact O-N 3.17Å; F626-Q628 VanDerWaalsContact C-N 3.3Å; F626-Q628 PolarHBondContact O-N 3.18Å; F626-A630 PolarHBondContact O-N 3.41Å
627G42Very low41.3Very low43 Ų43116.8 Ų116.844%0.44363%0.63SS.*Hα-helixtrans-69.1-28.3176.200000113.4D624D624-G627 PolarHBondContact O-N 3.34Å
628Q43.1Very low42.1Very low131 Ų131114.1 Ų114.161%0.61262%0.616SS**Hα-helixtrans-78-42.2174.9-66.1-178.9-1.800112.1D624 F626 R631 L632D624-Q628 PolarHBondContact O-N 2.91Å; F626-Q628 VanDerWaalsContact C-N 3.3Å; F626-Q628 PolarHBondContact O-N 3.18Å; Q628-R631 PolarHBondContact O-N 2.96Å; Q628-L632 PolarHBondContact O-N 3.1Å; Q628-L632 VanDerWaalsContact O-N 3.1Å
629L45.7Very low43.2Very low83 Ų83112.4 Ų112.444%0.43560%0.604SS.*Hα-helixtrans-59.9-48.6176.2-77166.3000112.2Q625 R631 L632 D633Q625-L629 WeakPolarHBondContact O-CG 3.45Å; Q625-L629 PolarHBondContact O-N 2.63Å; Q625-L629 VanDerWaalsContact O-N 3.09Å; L629-R631 PolarHBondContact O-N 2.82Å; L629-L632 WeakPolarHBondContact O-CA 3.42Å; L629-L632 WeakPolarHBondContact O-CB 3.14Å; L629-L632 PolarHBondContact O-N 3.15Å; L629-D633 PolarHBondContact O-N 3.38Å
630A43.4Very low43.7Very low54 Ų54112.4 Ų112.445%0.44659%0.592SS.*Hα-helixtrans-60.5-30.5179.100000113.4F626 L634F626-A630 PolarHBondContact O-N 3.41Å; A630-L634 WeakPolarHBondContact O-CG 3.44Å; A630-L634 PolarHBondContact O-N 3.2Å
631R42.7Very low44.1Very low194 Ų194113 Ų11373%0.73259%0.585SS**Hα-helixtrans-78.6-22.7174.5-78.2177.6167152.5-3.4113.6Q628 L629 K635Q628-R631 PolarHBondContact O-N 2.96Å; L629-R631 PolarHBondContact O-N 2.82Å; R631-K635 WeakPolarHBondContact O-CG 3.43Å; R631-K635 PolarHBondContact O-N 3.2Å
632L52.9Low44.1Very low109 Ų109115.4 Ų115.457%0.57159%0.586SS**Hα-helixtrans-79.5-42172.1-77.8166.9000111.4Q628 L629 L634 K635 M636Q628-L632 PolarHBondContact O-N 3.1Å; Q628-L632 VanDerWaalsContact O-N 3.1Å; L629-L632 WeakPolarHBondContact O-CA 3.42Å; L629-L632 WeakPolarHBondContact O-CB 3.14Å; L629-L632 PolarHBondContact O-N 3.15Å; L632-L634 PolarHBondContact O-N 2.85Å; L632-K635 PolarHBondContact O-N 3.14Å; L632-K635 VanDerWaalsContact O-N 3.17Å; L632-M636 WeakPolarHBondContact O-CB 3.25Å; L632-M636 PolarHBondContact O-N 2.99Å
633D45.5Very low44.2Very low96 Ų96114.3 Ų114.351%0.51358%0.575SS.*Hα-helixtrans-60.3-46.5177.1-70.3-32.4000111.3L629 K635 M636 Q637L629-D633 PolarHBondContact O-N 3.38Å; D633-K635 VanDerWaalsContact C-N 3.31Å; D633-K635 PolarHBondContact O-N 2.85Å; D633-M636 PolarHBondContact O-N 3.44Å; D633-Q637 WeakPolarHBondContact O-CB 3.47Å; D633-Q637 PolarHBondContact O-N 2.95Å
634L49.7Very low44.2Very low123 Ų123112.4 Ų112.464%0.64457%0.568SS**Hα-helixtrans-59.4-37.9174.6-77168.1000113.2A630 L632 S638A630-L634 WeakPolarHBondContact O-CG 3.44Å; A630-L634 PolarHBondContact O-N 3.2Å; L632-L634 PolarHBondContact O-N 2.85Å; L634-S638 PolarHBondContact O-N 2.99Å
635K48.8Very low44.4Very low152 Ų152111.3 Ų111.366%0.66157%0.569SS**Hα-helixtrans-69.7-42.5174.7-82.5-171.3171.6-168.70112.1R631 L632 D633 Q637 S638 V639R631-K635 WeakPolarHBondContact O-CG 3.43Å; R631-K635 PolarHBondContact O-N 3.2Å; L632-K635 PolarHBondContact O-N 3.14Å; L632-K635 VanDerWaalsContact O-N 3.17Å; D633-K635 VanDerWaalsContact C-N 3.31Å; D633-K635 PolarHBondContact O-N 2.85Å; K635-Q637 VanDerWaalsContact C-N 3.31Å; K635-Q637 PolarHBondContact O-N 3.18Å; K635-S638 PolarHBondContact O-N 3.03Å; K635-V639 WeakPolarHBondContact O-CB 3.49Å; K635-V639 WeakPolarHBondContact O-CG2 3.35Å; K635-V639 PolarHBondContact O-N 3.23Å
636M49.7Very low44.6Very low130 Ų130109.9 Ų109.964%0.6457%0.569SS**Hα-helixtrans-69.6-31.4-178.8-165.7161.765.700111.8L632 D633 K640L632-M636 WeakPolarHBondContact O-CB 3.25Å; L632-M636 PolarHBondContact O-N 2.99Å; D633-M636 PolarHBondContact O-N 3.44Å; M636-K640 WeakPolarHBondContact O-CB 3.38Å; M636-K640 PolarHBondContact O-N 3.17Å
637Q41.5Very low44.7Very low119 Ų119110.8 Ų110.856%0.55658%0.579SS**Hα-helixtrans-67.7-45.4172.5-167.7164.7-0.500111.7D633 K635 K640 E641D633-Q637 WeakPolarHBondContact O-CB 3.47Å; D633-Q637 PolarHBondContact O-N 2.95Å; K635-Q637 VanDerWaalsContact C-N 3.31Å; K635-Q637 PolarHBondContact O-N 3.18Å; Q637-K640 WeakPolarHBondContact O-CB 3.43Å; Q637-K640 PolarHBondContact O-N 2.98Å; Q637-E641 PolarHBondContact O-N 2.93Å
638S44.6Very low44.2Very low72 Ų72116.8 Ų116.850%0.50360%0.596SS.*Hα-helixtrans-64.1-39.3174177.60000113.1L634 K635 K640 E641 H642L634-S638 PolarHBondContact O-N 2.99Å; K635-S638 PolarHBondContact O-N 3.03Å; S638-K640 VanDerWaalsContact C-N 3.31Å; S638-K640 PolarHBondContact O-N 3.46Å; S638-E641 PolarHBondContact O-N 2.69Å; S638-H642 PolarHBondContact O-N 3.38Å
639V51.5Low43.7Very low85 Ų85115.1 Ų115.152%0.51560%0.596SS.*Hα-helixtrans-65-35.5173.4167.40000111.5K635 H642 L643K635-V639 WeakPolarHBondContact O-CB 3.49Å; K635-V639 WeakPolarHBondContact O-CG2 3.35Å; K635-V639 PolarHBondContact O-N 3.23Å; V639-H642 PolarHBondContact O-N 2.79Å; V639-L643 HydrophobicContact CG1-CD1 4.14Å; V639-L643 PolarHBondContact O-N 3.41Å
640K46.8Very low42.8Very low129 Ų129121.1 Ų121.156%0.56161%0.614SS**Hα-helixtrans-65.8-47.5174.8-168.2-166.7173.9-151.80111.6M636 Q637 S638 H642 L643 D644M636-K640 WeakPolarHBondContact O-CB 3.38Å; M636-K640 PolarHBondContact O-N 3.17Å; Q637-K640 WeakPolarHBondContact O-CB 3.43Å; Q637-K640 PolarHBondContact O-N 2.98Å; S638-K640 VanDerWaalsContact C-N 3.31Å; S638-K640 PolarHBondContact O-N 3.46Å; K640-H642 PolarHBondContact O-N 3.27Å; K640-L643 PolarHBondContact O-N 3.34Å; K640-D644 VanDerWaalsContact CE-OD2 3.24Å; K640-D644 WeakPolarHBondContact CE-OD2 3.38Å; K640-D644 IonicContact NZ-OD2 3.22Å; K640-D644 WeakPolarHBondContact O-CB 3.33Å; K640-D644 PolarHBondContact O-N 2.85Å
641E41.2Very low42.1Very low129 Ų129129 Ų12960%0.60363%0.633SS**Hα-helixtrans-58.1-32.7174.7-70.8173.5164.900111.9Q637 S638 S645Q637-E641 PolarHBondContact O-N 2.93Å; S638-E641 PolarHBondContact O-N 2.69Å; E641-S645 VanDerWaalsContact O-CB 3.32Å; E641-S645 WeakPolarHBondContact O-CB 3.24Å; E641-S645 PolarHBondContact O-N 3.13Å
642H38.7Very low41.2Very low144 Ų144129.1 Ų129.167%0.66763%0.633SS**Hα-helixtrans-75.1-30.8175.3-140.258.3000113.8S638 V639 K640 V646S638-H642 PolarHBondContact O-N 3.38Å; V639-H642 PolarHBondContact O-N 2.79Å; K640-H642 PolarHBondContact O-N 3.27Å; H642-V646 VanDerWaalsContact O-CG2 3.31Å; H642-V646 WeakPolarHBondContact O-CG2 3.47Å
643L39.5Very low39.9Very low93 Ų93130 Ų13049%0.48764%0.643SS.*Hα-helixtrans-78.5-42.2174.9-85.6163.9000112.6V639 K640 S645 V646 L647V639-L643 HydrophobicContact CG1-CD1 4.14Å; V639-L643 PolarHBondContact O-N 3.41Å; K640-L643 PolarHBondContact O-N 3.34Å; L643-S645 PolarHBondContact O-N 3.32Å; L643-V646 PolarHBondContact O-N 3.37Å; L643-L647 PolarHBondContact O-N 2.91Å
644D40.1Very low38.9Very low109 Ų109130.4 Ų130.458%0.58366%0.659SS**Hα-helixtrans-63.3-19.5173.4-68.7-18.1000111K640K640-D644 VanDerWaalsContact CE-OD2 3.24Å; K640-D644 WeakPolarHBondContact CE-OD2 3.38Å; K640-D644 IonicContact NZ-OD2 3.22Å; K640-D644 WeakPolarHBondContact O-CB 3.33Å; K640-D644 PolarHBondContact O-N 2.85Å
645S44Very low37.7Very low93 Ų93128.8 Ų128.865%0.6566%0.664SS**THydrogen-bonded Turntrans-84-4.2171.9-175.30000115E641 L643E641-S645 VanDerWaalsContact O-CB 3.32Å; E641-S645 WeakPolarHBondContact O-CB 3.24Å; E641-S645 PolarHBondContact O-N 3.13Å; L643-S645 PolarHBondContact O-N 3.32Å
646V47.8Very low36.8Very low103 Ų103128.4 Ų128.462%0.62467%0.674SS**THydrogen-bonded Turntrans-115.8-20-173.9167.90000112.9H642 L643 E648H642-V646 VanDerWaalsContact O-CG2 3.31Å; H642-V646 WeakPolarHBondContact O-CG2 3.47Å; L643-V646 PolarHBondContact O-N 3.37Å; V646-E648 PolarHBondContact O-N 3.4Å
647L39Very low35.6Very low136 Ų136125.5 Ų125.571%0.71268%0.677SS**SBendtrans-103.460.9-171.9-72.6169.1000114L643L643-L647 PolarHBondContact O-N 2.91Å
648E31.2Very low35Very low169 Ų169127.7 Ų127.779%0.7969%0.692SS**  trans168.7143.6143.9-89.9-5914400106.9V646V646-E648 PolarHBondContact O-N 3.4Å
649P33.5Very low34Very low96 Ų96128.5 Ų128.562%0.62370%0.698SS**  cis-118.3168.63.841.8-30.6000114.5
650Y27.7Very low32.7Very low208 Ų208131.7 Ų131.782%0.81671%0.711SS**  -174.5113.7118.6-113.9-75.1000113.1R652Y650-R652 VanDerWaalsContact CD1-O 3.26Å; Y650-R652 WeakPolarHBondContact CD1-O 3.37Å
651R26.6Very low31.8Very low221 Ų221131.1 Ų131.183%0.83471%0.714SS**  trans-111.696.9172.6-166.5-174.1-164.9-160.98.3110.4
652R25.9Very low31.1Very low196 Ų196132.4 Ų132.474%0.7472%0.72SS**  trans71150.5-172.5-46.2169.3179.3163.2-1.8111.3Y650Y650-R652 VanDerWaalsContact CD1-O 3.26Å; Y650-R652 WeakPolarHBondContact CD1-O 3.37Å
653T23.6Very low30.5Very low128 Ų128130.6 Ų130.679%0.78572%0.715SS**  cis-154.6148.630.8-47.90000110.9
654A25.8Very low30Very low103 Ų103134.3 Ų134.385%0.85173%0.727SS**  trans-145.8123.2160.800000109.7
655A24Very low29.4Very low89 Ų89137.6 Ų137.674%0.73674%0.741SS**  trans-158138.717500000112.5
656V29.3Very low28.6Very low145 Ų145136 Ų13688%0.87974%0.739SS**  trans77108.2162.6-1690000119.7
657G25.4Very low27.8Very low68 Ų68137.3 Ų137.370%0.70175%0.748SS**  144.9134.1129.200000113.8
658L29Very low27.3Very low166 Ų166135.9 Ų135.987%0.86975%0.745SS**  cis-163.1165.8-5.4-94.6-174.9000106.8
659S23.1Very low27.1Very low89 Ų89136.5 Ų136.562%0.62275%0.747SS**  cis-160.2-166.1-0.749.30000109.5
660L25.5Very low26.8Very low152 Ų152136.7 Ų136.780%0.79676%0.757SS**  trans72.4133.1174.9-89.771.7000117
661D26.6Very low26.6Very low117 Ų117130 Ų13063%0.62675%0.751SS**  cis-155.9154-9.7-154.47.5000113.4
662Q26.6Very low26.6Very low156 Ų156130.8 Ų130.873%0.72975%0.754SS**  trans58.2141160.4-81.5168.468.400120
663D25.5Very low26.4Very low106 Ų106126.8 Ų126.857%0.56775%0.747SS**  cis-163.3143.1-1.3-16619.3000112.3
664K30.4Very low26.4Very low170 Ų170129.5 Ų129.574%0.73975%0.748SS**  trans48.5151.3165.5-68.5157-172.174.10120.8
665M27.5Very low26.3Very low179 Ų179132.9 Ų132.988%0.88275%0.749SS**  cis175.6144.3-22.4173171.6172.500106.9
666G26.7Very low26.4Very low58 Ų58133.5 Ų133.560%0.59875%0.748SS**  cis167.1167-8.600000112.2
667T30.3Very low26.1Very low132 Ų132133.9 Ų133.981%0.8175%0.745SS**  trans66.8146.416242.90000121.1
668T28.8Very low26.1Very low105 Ų105136.8 Ų136.864%0.64475%0.749SS**  cis-153.81414.630.90000114.6
669H27.7Very low25.9Very low183 Ų183131.8 Ų131.885%0.84774%0.737SS**  trans52.1154.8144-57.9-45.8000123.6
670A27.2Very low26.1Very low99 Ų99133.8 Ų133.882%0.81875%0.746SS**  cis-176.5176.1-19.100000108.2
671G23.5Very low26.1Very low68 Ų68136.5 Ų136.570%0.70175%0.751SS**  cis161164-6.500000112.7
672R26.3Very low26Very low238 Ų238134.2 Ų134.290%0.89876%0.755SS**  trans74.8155.2173.4-68.1-173165.3169.9-3.1118
673N22.1Very low26Very low111 Ų111135.5 Ų135.559%0.59477%0.766SS**  cis-162.5163.6-2-118.26.3000114.9
674F23.6Very low26.1Very low185 Ų185138.3 Ų138.381%0.81178%0.781SS**  trans66.9177.6154.7-70.4-57000123
675M23.4Very low26Very low175 Ų175134.6 Ų134.686%0.86278%0.782SS**  trans-144.2-159.4-153.8-61.4146.556.800110.9
676S25.2Very low25.9Very low102 Ų102131.9 Ų131.971%0.71378%0.781SS**  cis-171.2155.212.652.50000115.2
677D23.9Very low26.1Very low152 Ų152136.3 Ų136.381%0.81379%0.79SS**  trans83.3157.5141.3-146.813.3000124.7
678V25.8Very low25.9Very low130 Ų130135.3 Ų135.379%0.78879%0.786SS**  trans73.7142.1164.2-166.50000120.4
679G24.2Very low25.8Very low61 Ų61135.4 Ų135.463%0.62979%0.788SS**  trans-165.8-80.317600000120.6
680T27Very low25.9Very low130 Ų130132.4 Ų132.480%0.79879%0.785SS**  trans61.8141.7-179.146.70000122
681K26.6Very low26.1Very low210 Ų210130.2 Ų130.291%0.91376%0.763SS**  trans70.4146.5166.4-58.3162.1-175.1174.20116.7
682G24.6Very low26.7Very low68 Ų68135.1 Ų135.170%0.70177%0.773SS**  cis159.9152.1-10.700000114.4
683L26.7Very low27.3Very low183 Ų183131.8 Ų131.896%0.95877%0.772SS**  trans75.4121.1170.6-57.1173.7000119.6
684N26.7Very low27.9Very low165 Ų165127.4 Ų127.488%0.88275%0.75SS**  trans-96.4140.1153.8-80.6-47.8000109.2
685A29Very low28.7Very low92 Ų92122 Ų12276%0.7673%0.733SS**  trans179.9152.2140.700000114.3
686S24.3Very low29.6Very low122 Ų122114.6 Ų114.685%0.85370%0.697SS**  trans75.6158.8155.676.50000119.8
687L31.2Very low30.4Very low151 Ų151114 Ų11479%0.79169%0.692SS**  trans-94.2141.9-172-73156.8000111.6
688P26.4Very low30.8Very low111 Ų111116.5 Ų116.572%0.72170%0.696SS**  trans-84.1169174.434.5-35.4000113.9
689P25.9Very low31.1Very low107 Ų107117.8 Ų117.870%0.69570%0.698SS**  trans-76.1-179.6-178.3-14.832.7000114.7S691P689-S691 PolarHBondContact O-N 3.35Å
690P31Very low31.3Very low121 Ų121124.1 Ų124.179%0.78671%0.711SS**SBendtrans-83.483.2-168.134.2-36.2000114.3
691S31.1Very low31.3Very low52 Ų52125.8 Ų125.836%0.36471%0.714SS.*  trans-111.34.2176550000115.4P689 L693 S694P689-S691 PolarHBondContact O-N 3.35Å; S691-L693 PolarHBondContact O-N 3.46Å; S691-S694 PolarHBondContact O-OG 3.46Å
692L34.9Very low31.3Very low171 Ų171121.2 Ų121.290%0.89571%0.709SS**THydrogen-bonded Turntrans-76.725.9-177.8-68.4174000115.2
693L39.9Very low31.8Very low169 Ų169122.3 Ų122.389%0.88572%0.72SS**THydrogen-bonded Turntrans-128.512.1176.3-73174.6000113.5S691 P695S691-L693 PolarHBondContact O-N 3.46Å; L693-P695 WeakPolarHBondContact O-CD 3.36Å
694S35.5Very low32Very low19 Ų19118.7 Ų118.713%0.13371%0.709CS.*  trans-69.6125.417653.70000112.6S691 H696 S697 D786S691-S694 PolarHBondContact O-OG 3.46Å; S694-H696 PolarHBondContact O-N 3.42Å; S694-H696 VanDerWaalsContact O-N 3.14Å; S694-S697 PolarHBondContact O-OG 3.01Å; S694-D786 VanDerWaalsContact CB-CG 3.5Å; S694-D786 WeakPolarHBondContact CB-OD1 3.4Å; S694-D786 WeakPolarHBondContact CB-OD2 3.22Å
695P39.5Very low32Very low70 Ų70119 Ų11946%0.45571%0.711SS.*THydrogen-bonded Turntrans-70.94.1168.8-20.533.3000114.9L693L693-P695 WeakPolarHBondContact O-CD 3.36Å
696H43Very low31.9Very low21 Ų21119.9 Ų119.910%0.09772%0.718CS.*THydrogen-bonded Turntrans-119.36-168.8-62.4-100.6000113.3S694 K698 R768 E771 W790S694-H696 PolarHBondContact O-N 3.42Å; S694-H696 VanDerWaalsContact O-N 3.14Å; H696-K698 PolarHBondContact O-N 3.2Å; H696-R768 PolarHBondContact CE1-NH1 3.44Å; H696-R768 VanDerWaalsContact CE1-NH1 3.34Å; H696-R768 PolarHBondContact NE2-NH1 2.93Å; H696-R768 PolarHBondContact NE2-NH2 2.78Å; H696-E771 IonicContact CE1-OE1 2.65Å; H696-W790 HydrophobicContact CB-CB 4.49Å; H696-W790 HydrophobicContact CB-CG 4.02Å; H696-W790 AromaticContact CE1-CD2 3.87Å; H696-W790 AromaticContact CE1-CE2 3.86Å; H696-W790 AromaticContact CE1-CE3 3.97Å; H696-W790 AromaticContact CE1-CH2 3.96Å; H696-W790 AromaticContact CE1-CZ2 3.92Å; H696-W790 AromaticContact CG-CD1 3.88Å; H696-W790 AromaticContact CG-CG 3.9Å; H696-W790 AromaticContact ND1-CD1 3.73Å; H696-W790 AromaticContact ND1-CD2 3.4Å; H696-W790 AromaticContact ND1-CE2 3.19Å; H696-W790 AromaticContact ND1-CE3 3.97Å; H696-W790 AromaticContact ND1-CG 3.73Å; H696-W790 AromaticContact ND1-CZ2 3.56Å; H696-W790 AromaticContact ND1-NE1 3.43Å; H696-W790 PolarHBondContact ND1-NE1 3.14Å
697S40.3Very low32.1Very low89 Ų89122.9 Ų122.962%0.62272%0.718SS**  trans-68.4106.4175.9470000112.2S694 L699S694-S697 PolarHBondContact O-OG 3.01Å; S697-L699 PolarHBondContact O-N 2.96Å; S697-L699 VanDerWaalsContact O-N 3.1Å
698K34Very low31.8Very low205 Ų205124.2 Ų124.289%0.89172%0.72SS**  trans-81.184.6178.7-76-175.4177175.90112.7H696H696-K698 PolarHBondContact O-N 3.2Å
699L31.2Very low31.6Very low157 Ų157126.3 Ų126.382%0.82272%0.724SS**  trans-134105.6155.5-86.8173.8000110.4S697S697-L699 PolarHBondContact O-N 2.96Å; S697-L699 VanDerWaalsContact O-N 3.1Å
700Q28.7Very low31.6Very low194 Ų194128.5 Ų128.591%0.90773%0.729SS**PPolyproline II helixtrans-87.2129.6153-77.1-170.7-1700107.9
701L27.2Very low31.7Very low165 Ų165127.8 Ų127.886%0.86472%0.724SS**PPolyproline II helixtrans-101.7122.1159.3-76.4170.2000108.1
702S26.5Very low31.4Very low114 Ų114133.9 Ų133.980%0.79775%0.747SS**PPolyproline II helixtrans-76159.117344.60000110.9S704S702-S704 PolarHBondContact O-N 2.93Å; S702-S704 VanDerWaalsContact O-N 3.14Å
703G34.7Very low30.9Very low91 Ų91129.3 Ų129.394%0.93873%0.734SS**SBendtrans-73.9104.2-165.900000115.4
704S31.6Very low30.3Very low106 Ų106127.6 Ų127.674%0.74173%0.73SS**SBendtrans-159.9152.5142.6-168.80000108.6S702S702-S704 PolarHBondContact O-N 2.93Å; S702-S704 VanDerWaalsContact O-N 3.14Å
705L26.8Very low29.9Very low173 Ų173134.3 Ų134.391%0.90676%0.763SS**  trans58.876.6-176.8-56.8171.2000114.6
706A27.3Very low29.5Very low110 Ų110135.6 Ų135.691%0.90977%0.774SS**  trans-122.425.417000000113
707E27.3Very low28.7Very low185 Ų185140.1 Ų140.186%0.86480%0.804SS**  trans-146.280.3-179.4-165166.8-11800111.9
708Q25.5Very low28Very low179 Ų179144.9 Ų144.984%0.83681%0.813SS**  trans-159.2123.1147.3-112173.51300111.6
709L22.1Very low27.6Very low154 Ų154139 Ų13981%0.80680%0.798SS**  trans64.491.8150.1-59.7169.3000119.6
710I26.7Very low27.3Very low153 Ų153140.3 Ų140.379%0.78579%0.792SS**  -37159124.424.1169.1000113
711P32.2Very low27.1Very low107 Ų107134.3 Ų134.370%0.69578%0.782SS**  cis-144.8-171.310.930.1-4.1000117.2
712Q24.2Very low27.1Very low180 Ų180132.6 Ų132.684%0.84177%0.773SS**  trans86.8140.4146.7-67.4-136.618.700124.1
713A24.4Very low26.9Very low74 Ų74132 Ų13261%0.61277%0.768SS**  trans38.7100.3140.900000119.7
714V27.5Very low26.5Very low134 Ų134136.5 Ų136.581%0.81277%0.765SS**  44.869.167-167.30000114.1
715L26.8Very low26.1Very low159 Ų159141.7 Ų141.783%0.83277%0.768SS**  165.5161.8106-97.8163.9000113
716S32.3Very low26Very low97 Ų97140.1 Ų140.168%0.67876%0.759SS**  trans-80.1151.4-163.356.40000116.1
717T24.9Very low25.9Very low117 Ų117144.7 Ų144.772%0.71876%0.759SS**  trans-116.6150146.356.30000106.7
718K26.3Very low25.7Very low188 Ų188139.5 Ų139.582%0.81775%0.754SS**  cis-166.2170.2-5.5-104.2165.3-172.1172.50104.4
719S26.5Very low25.6Very low82 Ų82135.3 Ų135.357%0.57375%0.751SS**  cis177161.5-16.855.70000108.6
720R24.4Very low25.7Very low184 Ų184132.8 Ų132.869%0.69475%0.746SS**  trans56.5160.5147.7-69.2173.5172-171.3-2.6118.1I722R720-I722 HydrophobicContact CB-CD1 4.04Å; R720-I722 HydrophobicContact CB-CG1 4.5Å; R720-I722 HydrophobicContact CG-CD1 3.65Å; R720-I722 HydrophobicContact CG-CG1 4.18Å
721G25Very low25.5Very low68 Ų68130.4 Ų130.470%0.70174%0.743SS**  cis-104.3151.4-1.800000113.2
722I26.1Very low25.1Very low130 Ų130132 Ų13267%0.66774%0.744SS**  87.190.754.1-65.9162000112.6R720R720-I722 HydrophobicContact CB-CD1 4.04Å; R720-I722 HydrophobicContact CB-CG1 4.5Å; R720-I722 HydrophobicContact CG-CD1 3.65Å; R720-I722 HydrophobicContact CG-CG1 4.18Å
723S22.8Very low25.1Very low101 Ų101131.7 Ų131.771%0.70674%0.741SS**  trans-165.1136.8142.2-156.30000106.3
724Q26.8Very low25Very low185 Ų185134.8 Ų134.886%0.86475%0.746SS**  cis-145.8-152-3.5-134.5174.945.800111.7
725R23.1Very low24.7Very low216 Ų216135.9 Ų135.982%0.81574%0.742SS**  trans-90.8136.3-162.7-81.4179.3163.5165.7-6.2116.2
726I24.3Very low24.6Very low140 Ų140134.1 Ų134.172%0.71874%0.738SS**  42.9123.6117.4-43.8167.8000119.5
727K24.3Very low24Very low206 Ų206135.2 Ų135.290%0.89675%0.746SS**  trans143.4143.9145.6-82.4174.4-175.6-177.20108.5
728G23.9Very low23.9Very low75 Ų75137.6 Ų137.677%0.77375%0.753SS**  cis-167.4-173.60.100000112.9
729A23.9Very low24.4Very low92 Ų92133.5 Ų133.576%0.7675%0.746SS**  trans-65.4143.4-16200000118.3
730S22.5Very low24.2Very low101 Ų101135.6 Ų135.671%0.70675%0.75SS**  61.2117129.470.20000122.7
731S23.4Very low24.3Very low102 Ų102134.2 Ų134.271%0.71375%0.752SS**  108.6137.2115.579.60000121.6
732L23.5Very low24.1Very low140 Ų140136.6 Ų136.673%0.73375%0.753SS**  trans68.9111.7145.1-67.6161.9000121.6
733K23.7Very low23.9Very low175 Ų175135.5 Ų135.576%0.76176%0.757SS**  104.4138.8117.6-89.6178.1172.5-178.30122
734L23Very low23.9Very low138 Ų138136.8 Ų136.872%0.72377%0.766SS**  trans70.3108.4152.5-86.8111.1000122.1
735H22.1Very low23.8Very low157 Ų157131 Ų13173%0.72776%0.756SS**  60104.1121.7-81.7-79.6000123.1
736T23.2Very low23.8Very low123 Ų123129.4 Ų129.476%0.75576%0.755SS**  36.6108.3120.656.30000120.8
737S21.5Very low23.9Very low120 Ų120132.9 Ų132.984%0.83976%0.761SS**  trans-159.5156.6130.355.70000112.5
738L22.7Very low23.9Very low166 Ų166130.7 Ų130.787%0.86976%0.759SS**  trans-120.7170.6164.9-83.4168000106.2
739P36.8Very low24.4Very low103 Ų103132.4 Ų132.467%0.66976%0.756SS**  cis-140.5-162.51644.1-24.5000115.8
740D22.1Very low24.6Very low125 Ų125134.8 Ų134.867%0.66876%0.756SS**  trans97116.5143-83.421.4000124.9
741Q25.2Very low24.9Very low155 Ų155136 Ų13672%0.72477%0.765SS**  trans85.293130.8-67.7-172.860.500123.4
742T21.2Very low25.2Very low118 Ų118135.8 Ų135.872%0.72476%0.759SS**  66.6113.7122.957.70000123.1
743S21.8Very low25.6Very low108 Ų108134 Ų13476%0.75576%0.759SS**  123135.5114.371.10000118.3
744S24.2Very low26.4Very low127 Ų127131.5 Ų131.589%0.88876%0.757SS**  trans51.8141.4172.756.60000119.8
745G23.8Very low27.9Very low64 Ų64131.2 Ų131.266%0.6675%0.752SS**  cis169.2146.2-12.600000114.6
746F23.7Very low30.4Very low182 Ų182126 Ų12680%0.79873%0.729SS**  trans82139.4161.9-81.2-81.9000122.7
747Y25.4Very low33.1Very low214 Ų214123 Ų12384%0.83971%0.707SS**  trans69.8107.4164.9-58.3-61.4000121
748D23.8Very low36.2Very low160 Ų160117.3 Ų117.386%0.85667%0.667SS**  trans-144.7121.1153.8-167.517.1000107.4
749P34.9Very low39.2Very low110 Ų110109.9 Ų109.971%0.71463%0.629SS**  trans-102.2124.3-16835.5-31.8000115.8
750D28.9Very low41.5Very low142 Ų142105 Ų10576%0.75960%0.597SS**  trans45.9117.6151.6-66.4-33.6000122.2V752D750-V752 HydrophobicContact CB-CG2 4.18Å
751S29.1Very low44.4Very low126 Ų126101.4 Ų101.488%0.88158%0.577SS**  -132.5117.5116.460.70000109.8
752V29Very low46.9Very low99 Ų99100.5 Ų100.560%0.657%0.568SS**  trans-82.7134.8-160.9177.70000112.7D750 V754D750-V752 HydrophobicContact CB-CG2 4.18Å; V752-V754 HydrophobicContact CG1-CG2 4Å
753S31.9Very low49.7Very low103 Ų103100.5 Ų100.572%0.7256%0.564SS**  trans-97.2108.5156.753.70000109.6Q755S753-Q755 PolarHBondContact O-N 2.88Å; S753-Q755 VanDerWaalsContact O-N 3.08Å
754V40.2Very low52.5Low121 Ų12197 Ų9773%0.73353%0.534SS*.  trans-70.4107-174.4-1790000110.1V752 Q756V752-V754 HydrophobicContact CG1-CG2 4Å; V754-Q756 VanDerWaalsContact C-N 3.3Å; V754-Q756 PolarHBondContact O-N 2.87Å
755Q54.6Low55.2Low132 Ų13298.2 Ų98.262%0.61753%0.526SS*.  trans-77.881.7168.9-64.9-172.216.900109.4S753 I757S753-Q755 PolarHBondContact O-N 2.88Å; S753-Q755 VanDerWaalsContact O-N 3.08Å; Q755-I757 PolarHBondContact O-N 2.92Å
756Q74.7Confident57.9Low49 Ų4996.5 Ų96.523%0.22951%0.506CS..  trans-69129.2174.5-163.817623.200109.6V754 V758 V782 D810V754-Q756 VanDerWaalsContact C-N 3.3Å; V754-Q756 PolarHBondContact O-N 2.87Å; Q756-V758 HydrophobicContact CG-CG1 4.05Å; Q756-V782 HydrophobicContact CB-CB 4.36Å; Q756-V782 HydrophobicContact CB-CG2 4.34Å; Q756-V782 WeakPolarHBondContact O-CB 3.45Å; Q756-V782 WeakPolarHBondContact O-CG2 3.35Å; Q756-V782 PolarHBondContact O-N 3.49Å; Q756-D810 PolarHBondContact NE2-OD2 3.49Å
757I80.6Confident59.9Low58 Ų5895 Ų9530%0.29751%0.506SS..EExtended strand (participates in β ladder)trans-114126.7177.3-60.1174.9000107Q755 V779 Q811Q755-I757 PolarHBondContact O-N 2.92Å; I757-V779 HydrophobicContact CG2-CG1 3.36Å; I757-Q811 VanDerWaalsContact CG2-OE1 3.26Å; I757-Q811 WeakPolarHBondContact O-CB 3.35Å; I757-Q811 PolarHBondContact O-N 2.98Å; I757-Q811 VanDerWaalsContact O-N 3.12Å
758V85.2Confident61.9Low1 Ų188.9 Ų88.91%0.00648%0.481CS..EExtended strand (participates in β ladder)trans-125.5146.8-173.3-57.20000110.6Q756 I780 V782 W791 F803 V808 I809Q756-V758 HydrophobicContact CG-CG1 4.05Å; V758-I780 HydrophobicContact CG2-CB 4.01Å; V758-I780 PolarHBondContact N-O 2.74Å; V758-I780 PolarHBondContact O-N 2.84Å; V758-V782 HydrophobicContact CB-CG2 4.47Å; V758-V782 HydrophobicContact CG1-CG2 3.81Å; V758-V782 HydrophobicContact CG2-CG2 3.81Å; V758-W791 HydrophobicContact CG1-CZ3 4.29Å; V758-F803 HydrophobicContact CG2-CE2 4.25Å; V758-F803 HydrophobicContact CG2-CZ 4.23Å; V758-V808 HydrophobicContact CB-CB 4.01Å; V758-V808 HydrophobicContact CB-CG2 4.2Å; V758-V808 HydrophobicContact CG2-CB 3.86Å; V758-V808 HydrophobicContact CG2-CG1 3.96Å; V758-V808 HydrophobicContact CG2-CG2 3.96Å; V758-I809 CarbonylContact C-O 3.52Å; V758-I809 VanDerWaalsContact CA-O 3.25Å; V758-I809 WeakPolarHBondContact CA-O 3.5Å; V758-I809 WeakPolarHBondContact CB-O 3.47Å
759V85.4Confident63.7Low10 Ų1085.1 Ų85.16%0.06147%0.467CS..EExtended strand (participates in β ladder)trans-110135.6-178.9-173.10000108.9V779 V808 I809 Q811 F814V759-V779 HydrophobicContact CG2-CG2 4.47Å; V759-V808 CarbonylContact O-C 3.55Å; V759-V808 VanDerWaalsContact O-CA 3.26Å; V759-V808 WeakPolarHBondContact O-CA 3.3Å; V759-I809 HydrophobicContact CB-CG2 4.5Å; V759-I809 PolarHBondContact N-O 3.11Å; V759-I809 PolarHBondContact O-N 3.3Å; V759-Q811 HydrophobicContact CG2-CB 4.35Å; V759-Q811 HydrophobicContact CG2-CG 4.3Å; V759-F814 HydrophobicContact CB-CD2 4.38Å; V759-F814 HydrophobicContact CG1-CD2 4.36Å; V759-F814 HydrophobicContact CG1-CE2 4.23Å
760S85.4Confident65.6Low1 Ų182.1 Ų82.11%0.00745%0.445CS..EExtended strand (participates in β ladder)trans-76.9134.8178.862.40000113R775 R776 G777 D778 Y807S760-R775 PolarHBondContact OG-O 3.43Å; S760-R776 WeakPolarHBondContact OG-CA 3.3Å; S760-G777 PolarHBondContact O-N 2.76Å; S760-G777 PolarHBondContact OG-N 2.82Å; S760-D778 PolarHBondContact N-O 2.88Å; S760-D778 PolarHBondContact OG-N 3.42Å; S760-D778 PolarHBondContact OG-O 2.84Å; S760-Y807 WeakPolarHBondContact CA-O 3.43Å
761I83.1Confident68.3Low50 Ų5076.6 Ų76.626%0.25642%0.415SS..SBendtrans-99.5-16.5179.151.7167.5000113.3R776 Y807 I809I761-R776 WeakPolarHBondContact O-CD 3.46Å; I761-R776 WeakPolarHBondContact O-CG 3.34Å; I761-R776 PolarHBondContact O-NE 3.24Å; I761-Y807 WeakPolarHBondContact CG1-O 3.41Å; I761-Y807 PolarHBondContact N-O 2.89Å; I761-I809 HydrophobicContact CG2-CB 4.24Å; I761-I809 HydrophobicContact CG2-CG2 3.76Å
762Y79Confident70.9Confident136 Ų13671 Ų7153%0.53338%0.375SS..SBendtrans-137.1160.2179.7-57.6-60.3000112.2Y807Y762-Y807 HydrophobicContact CD2-CD1 4.39Å; Y762-Y807 HydrophobicContact CG-CD1 4.49Å
763N78.9Confident73.6Confident117 Ų11769.6 Ų69.663%0.62637%0.367SS*.  trans-79.4137.2170.6-64.6-21.4000110.2I774 R775 R776N763-I774 WeakPolarHBondContact CA-O 3.38Å; N763-R775 WeakPolarHBondContact OD1-CA 3.46Å; N763-R776 PolarHBondContact OD1-N 3.33Å
764Y80.5Confident76.1Confident34 Ų3464.9 Ų64.913%0.13333%0.334CS..BIsolated β-bridgetrans-140.7133.9176.9173.9-105.3000110.4E771 L772 T773 I774 W790 L804 Y807Y764-E771 PolarHBondContact OH-OE2 3.21Å; Y764-L772 WeakPolarHBondContact CD1-O 3.14Å; Y764-T773 WeakPolarHBondContact O-CA 3.5Å; Y764-I774 PolarHBondContact N-O 3.47Å; Y764-I774 PolarHBondContact O-N 3Å; Y764-W790 WeakPolarHBondContact OH-CH2 3.48Å; Y764-L804 HydrophobicContact CD1-CD1 4.44Å; Y764-L804 HydrophobicContact CD2-CD1 3.9Å; Y764-L804 HydrophobicContact CE1-CD1 4.08Å; Y764-L804 HydrophobicContact CE2-CD1 3.5Å; Y764-L804 VanDerWaalsContact CE2-CD1 3.5Å; Y764-L804 HydrophobicContact CG-CD1 4.37Å; Y764-Y807 HydrophobicContact CD2-CE1 4.41Å
765E80.2Confident78.1Confident154 Ų15467.9 Ų67.972%0.7233%0.332SS*.  trans-114.5127.7-179.9-170.6164.8-153.500109.8N767E765-N767 PolarHBondContact O-N 2.97Å
766A80.5Confident79.4Confident28 Ų2870.7 Ų70.723%0.23134%0.337CS..  trans-67.9125.4-176.800000111.5E771 T773A766-E771 HydrophobicContact CB-CB 3.63Å; A766-E771 WeakPolarHBondContact CB-O 3.44Å; A766-T773 WeakPolarHBondContact CB-OG1 3.41Å; A766-T773 PolarHBondContact N-OG1 3.29Å
767N67.2Low79.5Confident149 Ų14970.5 Ų70.580%0.79735%0.348SS*.SBendtrans-90.9-15.1173-78.9-69.1000112.2E765 E771E765-N767 PolarHBondContact O-N 2.97Å; N767-E771 WeakPolarHBondContact CA-OE2 3.38Å; N767-E771 PolarHBondContact N-OE2 3.29Å
768R66.1Low79.7Confident87 Ų8770.1 Ų70.133%0.32835%0.347SS..SBendtrans-122.6160.6-179.2-66.217041.2-177.5-11.6113.5H696 D770 E771H696-R768 PolarHBondContact CE1-NH1 3.44Å; H696-R768 VanDerWaalsContact CE1-NH1 3.34Å; H696-R768 PolarHBondContact NE2-NH1 2.93Å; H696-R768 PolarHBondContact NE2-NH2 2.78Å; R768-D770 VanDerWaalsContact CB-OD1 3.27Å; R768-D770 WeakPolarHBondContact CB-OD1 3.38Å; R768-D770 IonicContact CZ-OD1 2.69Å; R768-D770 IonicContact CZ-OD2 3.05Å; R768-D770 IonicContact NE-OD1 3.4Å; R768-D770 PolarHBondContact NE-OD1 2.75Å; R768-D770 VanDerWaalsContact NH2-CG 3.27Å; R768-D770 IonicContact NH2-OD1 2.61Å; R768-D770 PolarHBondContact NH2-OD1 3.45Å; R768-D770 VanDerWaalsContact NH2-OD1 3.13Å; R768-D770 IonicContact NH2-OD2 2.67Å; R768-D770 PolarHBondContact NH2-OD2 3.01Å; R768-D770 PolarHBondContact O-N 2.91Å; R768-D770 VanDerWaalsContact O-N 3.14Å; R768-E771 HydrophobicContact CB-CB 4.45Å; R768-E771 HydrophobicContact CB-CG 3.97Å; R768-E771 WeakPolarHBondContact CD-OE1 3.32Å; R768-E771 PolarHBondContact N-OE2 3.23Å; R768-E771 PolarHBondContact O-N 3.27Å
769S62.3Low79.7Confident80 Ų8072.6 Ų72.656%0.55936%0.361SS*.THydrogen-bonded Turntrans-60.7-18.1178.3530000115.8N148N148-S769 WeakPolarHBondContact CB-O 3.05Å; N148-S769 WeakPolarHBondContact ND2-CA 3.4Å; N148-S769 WeakPolarHBondContact ND2-CB 3.44Å
770D75.1Confident79.8Confident48 Ų4872.1 Ų72.126%0.25736%0.358SS..THydrogen-bonded Turntrans-115.9-0.4-174.751.6-22.7000113.2R768 G801 Y802R768-D770 VanDerWaalsContact CB-OD1 3.27Å; R768-D770 WeakPolarHBondContact CB-OD1 3.38Å; R768-D770 IonicContact CZ-OD1 2.69Å; R768-D770 IonicContact CZ-OD2 3.05Å; R768-D770 IonicContact NE-OD1 3.4Å; R768-D770 PolarHBondContact NE-OD1 2.75Å; R768-D770 VanDerWaalsContact NH2-CG 3.27Å; R768-D770 IonicContact NH2-OD1 2.61Å; R768-D770 PolarHBondContact NH2-OD1 3.45Å; R768-D770 VanDerWaalsContact NH2-OD1 3.13Å; R768-D770 IonicContact NH2-OD2 2.67Å; R768-D770 PolarHBondContact NH2-OD2 3.01Å; R768-D770 PolarHBondContact O-N 2.91Å; R768-D770 VanDerWaalsContact O-N 3.14Å; D770-G801 WeakPolarHBondContact O-CA 3.47Å; D770-Y802 HydrophobicContact CB-CD2 4.3Å; D770-Y802 WeakPolarHBondContact O-CD2 3.02Å; D770-Y802 PolarHBondContact O-N 2.81Å
771E85.1Confident79.8Confident25 Ų2574.9 Ų74.912%0.11737%0.371CS..BIsolated β-bridgetrans-88.9154.5173.5-70.9168.8171.900111.1H696 Y764 A766 N767 R768 W790 Y802H696-E771 IonicContact CE1-OE1 2.65Å; Y764-E771 PolarHBondContact OH-OE2 3.21Å; A766-E771 HydrophobicContact CB-CB 3.63Å; A766-E771 WeakPolarHBondContact CB-O 3.44Å; N767-E771 WeakPolarHBondContact CA-OE2 3.38Å; N767-E771 PolarHBondContact N-OE2 3.29Å; R768-E771 HydrophobicContact CB-CB 4.45Å; R768-E771 HydrophobicContact CB-CG 3.97Å; R768-E771 WeakPolarHBondContact CD-OE1 3.32Å; R768-E771 PolarHBondContact N-OE2 3.23Å; R768-E771 PolarHBondContact O-N 3.27Å; E771-W790 HydrophobicContact CG-CH2 4.1Å; E771-W790 HydrophobicContact CG-CZ3 3.91Å; E771-W790 WeakPolarHBondContact OE1-CH2 3.27Å; E771-Y802 CarbonylContact C-O 3.49Å; E771-Y802 VanDerWaalsContact CA-O 3.32Å; E771-Y802 WeakPolarHBondContact CA-O 3.49Å
772L84.3Confident79.9Confident8 Ų873.2 Ų73.24%0.04236%0.363CS..  trans-108114-175.9-163.563.3000110.6Y764 I774 L795 L799 Y802 F803Y764-L772 WeakPolarHBondContact CD1-O 3.14Å; L772-I774 HydrophobicContact CB-CD1 4.35Å; L772-I774 HydrophobicContact CD2-CD1 4.39Å; L772-I774 HydrophobicContact CD2-CG1 4.49Å; L772-I774 HydrophobicContact CG-CD1 4.43Å; L772-I774 HydrophobicContact CG-CG1 4.28Å; L772-I774 PolarHBondContact O-N 3.07Å; L772-L795 HydrophobicContact CD1-CD1 3.94Å; L772-L795 HydrophobicContact CD2-CD1 4.07Å; L772-L795 HydrophobicContact CD2-CG 4.03Å; L772-L795 HydrophobicContact CG-CD1 3.89Å; L772-L795 HydrophobicContact CG-CG 4.41Å; L772-L799 HydrophobicContact CD1-CB 4.1Å; L772-Y802 PolarHBondContact N-O 3.33Å; L772-F803 HydrophobicContact CB-CB 4.43Å; L772-F803 HydrophobicContact CD2-CD1 4.47Å
773T85.4Confident79.9Confident71 Ų7170.5 Ų70.544%0.43636%0.358SS..  trans-68128.7170.8-67.20000109.8Y764 A766Y764-T773 WeakPolarHBondContact O-CA 3.5Å; A766-T773 WeakPolarHBondContact CB-OG1 3.41Å; A766-T773 PolarHBondContact N-OG1 3.29Å
774I85.4Confident79.8Confident4 Ų469.9 Ų69.92%0.02135%0.347CS..BIsolated β-bridgetrans-134.5138.2-170-73.1158.5000109.5N763 Y764 L772 D778 I780 F803N763-I774 WeakPolarHBondContact CA-O 3.38Å; Y764-I774 PolarHBondContact N-O 3.47Å; Y764-I774 PolarHBondContact O-N 3Å; L772-I774 HydrophobicContact CB-CD1 4.35Å; L772-I774 HydrophobicContact CD2-CD1 4.39Å; L772-I774 HydrophobicContact CD2-CG1 4.49Å; L772-I774 HydrophobicContact CG-CD1 4.43Å; L772-I774 HydrophobicContact CG-CG1 4.28Å; L772-I774 PolarHBondContact O-N 3.07Å; I774-D778 HydrophobicContact CG2-CB 4.34Å; I774-I780 HydrophobicContact CD1-CD1 3.46Å; I774-I780 VanDerWaalsContact CD1-CD1 3.46Å; I774-I780 HydrophobicContact CG1-CD1 3.85Å; I774-I780 HydrophobicContact CG2-CD1 4.35Å; I774-F803 HydrophobicContact CD1-CB 3.3Å; I774-F803 HydrophobicContact CD1-CD2 4.27Å; I774-F803 HydrophobicContact CD1-CG 3.87Å
775R82.2Confident79.9Confident184 Ų18472.1 Ų72.169%0.69436%0.358SS*.  trans-110.1147.8172-61.9177.7178.3-170.6-1.8109S760 N763 G777 D778S760-R775 PolarHBondContact OG-O 3.43Å; N763-R775 WeakPolarHBondContact OD1-CA 3.46Å; R775-G777 PolarHBondContact O-N 2.99Å; R775-D778 PolarHBondContact N-OD2 3.31Å; R775-D778 VanDerWaalsContact O-CB 3.22Å; R775-D778 WeakPolarHBondContact O-CB 3.45Å; R775-D778 VanDerWaalsContact O-CG 3.24Å; R775-D778 PolarHBondContact O-N 2.62Å
776R80.8Confident79.4Confident190 Ų19065.5 Ų65.572%0.71733%0.327SS*.THydrogen-bonded Turntrans-55.3127.6177178.4177.8-175.6-158.6-1.4110.7S760 I761 N763S760-R776 WeakPolarHBondContact OG-CA 3.3Å; I761-R776 WeakPolarHBondContact O-CD 3.46Å; I761-R776 WeakPolarHBondContact O-CG 3.34Å; I761-R776 PolarHBondContact O-NE 3.24Å; N763-R776 PolarHBondContact OD1-N 3.33Å
777G77.6Confident79.2Confident45 Ų4566.2 Ų66.246%0.46433%0.327SS..THydrogen-bonded Turntrans94.2-6-174.800000114.8S760 R775 V779S760-G777 PolarHBondContact O-N 2.76Å; S760-G777 PolarHBondContact OG-N 2.82Å; R775-G777 PolarHBondContact O-N 2.99Å; G777-V779 PolarHBondContact O-N 3.02Å
778D84.5Confident79.6Confident51 Ų5166.5 Ų66.527%0.27333%0.329SS..  trans-64.4132.1171.4-78.6-21.8000111.1S760 I774 R775 L795S760-D778 PolarHBondContact N-O 2.88Å; S760-D778 PolarHBondContact OG-N 3.42Å; S760-D778 PolarHBondContact OG-O 2.84Å; I774-D778 HydrophobicContact CG2-CB 4.34Å; R775-D778 PolarHBondContact N-OD2 3.31Å; R775-D778 VanDerWaalsContact O-CB 3.22Å; R775-D778 WeakPolarHBondContact O-CB 3.45Å; R775-D778 VanDerWaalsContact O-CG 3.24Å; R775-D778 PolarHBondContact O-N 2.62Å; D778-L795 HydrophobicContact CB-CD2 3.65Å
779V85Confident80.2Confident52 Ų5265.9 Ų65.932%0.31534%0.335SS..EExtended strand (participates in β ladder)trans-93.3126.4176.1-176.60000109.8I757 V759 G777 V796I757-V779 HydrophobicContact CG2-CG1 3.36Å; V759-V779 HydrophobicContact CG2-CG2 4.47Å; G777-V779 PolarHBondContact O-N 3.02Å; V779-V796 HydrophobicContact CB-CG2 4.14Å
780I86.6Confident81.2Confident0 Ų063.6 Ų63.60%031%0.314CS..EExtended strand (participates in β ladder)trans-123.9122.3-174.2-52.6171000109.4V758 I774 R794 L795 F803 V808V758-I780 HydrophobicContact CG2-CB 4.01Å; V758-I780 PolarHBondContact N-O 2.74Å; V758-I780 PolarHBondContact O-N 2.84Å; I774-I780 HydrophobicContact CD1-CD1 3.46Å; I774-I780 VanDerWaalsContact CD1-CD1 3.46Å; I774-I780 HydrophobicContact CG1-CD1 3.85Å; I774-I780 HydrophobicContact CG2-CD1 4.35Å; I780-R794 WeakPolarHBondContact CA-O 3.29Å; I780-L795 HydrophobicContact CG1-CD2 3.8Å; I780-L795 HydrophobicContact CG1-CG 4.4Å; I780-F803 HydrophobicContact CD1-CD2 4.3Å; I780-F803 HydrophobicContact CD1-CE2 4.39Å; I780-F803 HydrophobicContact CD1-CG 4.46Å; I780-F803 HydrophobicContact CG2-CD1 4.35Å; I780-F803 HydrophobicContact CG2-CE1 3.75Å; I780-F803 HydrophobicContact CG2-CZ 3.93Å; I780-V808 HydrophobicContact CD1-CG1 4.1Å
781Q85.1Confident81.7Confident59 Ų5963.2 Ų63.228%0.27631%0.309SS..EExtended strand (participates in β ladder)trans-79.7117.1168.9-172.4-178.539.700108.8L783 G793 R794Q781-L783 HydrophobicContact CG-CD2 4.43Å; Q781-L783 PolarHBondContact O-N 3.24Å; Q781-G793 CarbonylContact O-C 3.54Å; Q781-G793 WeakPolarHBondContact O-CA 3.02Å; Q781-R794 PolarHBondContact N-O 2.58Å; Q781-R794 PolarHBondContact O-N 3.21Å
782V85.1Confident81.7Confident15 Ų1564.6 Ų64.69%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-73.8125.6176.9-1720000108.9Q756 V758 K785 W791 F803Q756-V782 HydrophobicContact CB-CB 4.36Å; Q756-V782 HydrophobicContact CB-CG2 4.34Å; Q756-V782 WeakPolarHBondContact O-CB 3.45Å; Q756-V782 WeakPolarHBondContact O-CG2 3.35Å; Q756-V782 PolarHBondContact O-N 3.49Å; V758-V782 HydrophobicContact CB-CG2 4.47Å; V758-V782 HydrophobicContact CG1-CG2 3.81Å; V758-V782 HydrophobicContact CG2-CG2 3.81Å; V782-K785 HydrophobicContact CG1-CG 3.99Å; V782-W791 HydrophobicContact CG2-CE3 4.24Å; V782-F803 HydrophobicContact CG2-CZ 4.37Å
783L79.5Confident81.9Confident79 Ų7964.2 Ų64.241%0.41431%0.313SS..EExtended strand (participates in β ladder)trans-104.3-34.3179.9-62.7177.7000112Q781 F792 R794 Q800Q781-L783 HydrophobicContact CG-CD2 4.43Å; Q781-L783 PolarHBondContact O-N 3.24Å; L783-F792 HydrophobicContact CB-CD1 4.33Å; L783-F792 HydrophobicContact CD1-CD1 4.47Å; L783-F792 HydrophobicContact CD1-CE1 4.35Å; L783-F792 PolarHBondContact N-O 2.87Å; L783-R794 HydrophobicContact CD1-CB 3.98Å; L783-R794 HydrophobicContact CG-CB 4.45Å; L783-Q800 HydrophobicContact CD1-CG 4.3Å; L783-Q800 VanDerWaalsContact CD1-NE2 3.29Å
784Y77.2Confident81.9Confident105 Ų10565.8 Ų65.841%0.41231%0.311SS..EExtended strand (participates in β ladder)trans-157.6151.6177179.8-111.8000110.3D786 F792Y784-D786 HydrophobicContact CD1-CB 4.35Å; Y784-D786 HydrophobicContact CE1-CB 4.12Å; Y784-F792 PolarHBondContact N-O 3.3Å; Y784-F792 PolarHBondContact O-N 3.32Å; Y784-F792 VanDerWaalsContact O-O 3.06Å
785K83.4Confident81.8Confident81 Ų8166 Ų6635%0.35231%0.312SS..EExtended strand (participates in β ladder)trans-112.9117.6173.7-61.9-169.5176.6-165.90108.4V782 W791V782-K785 HydrophobicContact CG1-CG 3.99Å; K785-W791 HydrophobicContact CB-CG 4.2Å; K785-W791 HydrophobicContact CD-CD2 3.88Å; K785-W791 HydrophobicContact CD-CE3 4.49Å; K785-W791 HydrophobicContact CD-CG 4.17Å; K785-W791 HydrophobicContact CD-CZ2 4Å; K785-W791 HydrophobicContact CG-CB 4.37Å; K785-W791 HydrophobicContact CG-CD2 3.97Å; K785-W791 HydrophobicContact CG-CG 3.76Å
786D69.1Low81.4Confident15 Ų1563.4 Ų63.48%0.0832%0.316CS..  trans-90.8-38.1-171-176.961.8000111.7S694 Y784 W790 Y802S694-D786 VanDerWaalsContact CB-CG 3.5Å; S694-D786 WeakPolarHBondContact CB-OD1 3.4Å; S694-D786 WeakPolarHBondContact CB-OD2 3.22Å; Y784-D786 HydrophobicContact CD1-CB 4.35Å; Y784-D786 HydrophobicContact CE1-CB 4.12Å; D786-W790 WeakPolarHBondContact CB-O 3.46Å; D786-W790 PolarHBondContact N-O 3.34Å; D786-Y802 HydrophobicContact CB-CD1 4.46Å; D786-Y802 HydrophobicContact CB-CE1 3.92Å
787N77.2Confident81Confident42 Ų4259.6 Ų59.623%0.22531%0.31CS..SBendtrans-157.5178.4165.359.180.5000110.6T789 W790 W791N787-T789 PolarHBondContact O-N 3.35Å; N787-T789 WeakPolarHBondContact OD1-CA 3.42Å; N787-T789 PolarHBondContact OD1-N 3.11Å; N787-T789 PolarHBondContact OD1-OG1 3.26Å; N787-W790 PolarHBondContact N-O 3.09Å; N787-W790 VanDerWaalsContact N-O 3.09Å; N787-W790 PolarHBondContact O-N 3.04Å; N787-W790 VanDerWaalsContact O-O 3.08Å; N787-W790 PolarHBondContact OD1-N 3.31Å; N787-W791 VanDerWaalsContact O-CD1 3.32Å; N787-W791 PolarHBondContact O-NE1 3.04Å
788D73.9Confident80.8Confident155 Ų15559 Ų5983%0.82930%0.304SS*.SBendtrans-59.6-20.4-177.4-51.6-42.2000114A805D788-A805 WeakPolarHBondContact O-CB 3.42Å
789T78.8Confident80.4Confident75 Ų7561.6 Ų61.646%0.4632%0.317SS..SBendtrans-108-18.1-178.862.30000114.5N787 L804 A805N787-T789 PolarHBondContact O-N 3.35Å; N787-T789 WeakPolarHBondContact OD1-CA 3.42Å; N787-T789 PolarHBondContact OD1-N 3.11Å; N787-T789 PolarHBondContact OD1-OG1 3.26Å; T789-L804 VanDerWaalsContact O-CA 3.28Å; T789-L804 WeakPolarHBondContact O-CA 3.29Å; T789-A805 PolarHBondContact O-N 2.83Å
790W83.9Confident80.5Confident31 Ų3163.7 Ų63.712%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-134.2122.3-177.2-68.591000112.2H696 Y764 E771 D786 N787 F803 L804H696-W790 HydrophobicContact CB-CB 4.49Å; H696-W790 HydrophobicContact CB-CG 4.02Å; H696-W790 AromaticContact CE1-CD2 3.87Å; H696-W790 AromaticContact CE1-CE2 3.86Å; H696-W790 AromaticContact CE1-CE3 3.97Å; H696-W790 AromaticContact CE1-CH2 3.96Å; H696-W790 AromaticContact CE1-CZ2 3.92Å; H696-W790 AromaticContact CG-CD1 3.88Å; H696-W790 AromaticContact CG-CG 3.9Å; H696-W790 AromaticContact ND1-CD1 3.73Å; H696-W790 AromaticContact ND1-CD2 3.4Å; H696-W790 AromaticContact ND1-CE2 3.19Å; H696-W790 AromaticContact ND1-CE3 3.97Å; H696-W790 AromaticContact ND1-CG 3.73Å; H696-W790 AromaticContact ND1-CZ2 3.56Å; H696-W790 AromaticContact ND1-NE1 3.43Å; H696-W790 PolarHBondContact ND1-NE1 3.14Å; Y764-W790 WeakPolarHBondContact OH-CH2 3.48Å; E771-W790 HydrophobicContact CG-CH2 4.1Å; E771-W790 HydrophobicContact CG-CZ3 3.91Å; E771-W790 WeakPolarHBondContact OE1-CH2 3.27Å; D786-W790 WeakPolarHBondContact CB-O 3.46Å; D786-W790 PolarHBondContact N-O 3.34Å; N787-W790 PolarHBondContact N-O 3.09Å; N787-W790 VanDerWaalsContact N-O 3.09Å; N787-W790 PolarHBondContact O-N 3.04Å; N787-W790 VanDerWaalsContact O-O 3.08Å; N787-W790 PolarHBondContact OD1-N 3.31Å; W790-F803 WeakPolarHBondContact CA-O 3.41Å; W790-L804 HydrophobicContact CD2-CG 4.32Å; W790-L804 HydrophobicContact CE3-CD1 4.39Å; W790-L804 HydrophobicContact CE3-CG 4.31Å; W790-L804 HydrophobicContact CH2-CD1 3.61Å; W790-L804 HydrophobicContact CH2-CG 4.12Å; W790-L804 HydrophobicContact CZ2-CD1 3.99Å; W790-L804 HydrophobicContact CZ2-CD2 4.45Å; W790-L804 HydrophobicContact CZ2-CG 4.07Å; W790-L804 HydrophobicContact CZ3-CD1 3.81Å; W790-L804 HydrophobicContact CZ3-CG 4.21Å
791W86.3Confident80.3Confident41 Ų4163.8 Ų63.816%0.15532%0.324CS..EExtended strand (participates in β ladder)trans-115.4157.2176.1-59.5-11.4000110.1V758 V782 K785 N787 Y802 F803 A805 V808V758-W791 HydrophobicContact CG1-CZ3 4.29Å; V782-W791 HydrophobicContact CG2-CE3 4.24Å; K785-W791 HydrophobicContact CB-CG 4.2Å; K785-W791 HydrophobicContact CD-CD2 3.88Å; K785-W791 HydrophobicContact CD-CE3 4.49Å; K785-W791 HydrophobicContact CD-CG 4.17Å; K785-W791 HydrophobicContact CD-CZ2 4Å; K785-W791 HydrophobicContact CG-CB 4.37Å; K785-W791 HydrophobicContact CG-CD2 3.97Å; K785-W791 HydrophobicContact CG-CG 3.76Å; N787-W791 VanDerWaalsContact O-CD1 3.32Å; N787-W791 PolarHBondContact O-NE1 3.04Å; W791-Y802 CarbonylContact O-C 3.53Å; W791-Y802 VanDerWaalsContact O-CA 3.31Å; W791-Y802 WeakPolarHBondContact O-CA 3.21Å; W791-F803 HydrophobicContact CB-CE1 3.97Å; W791-F803 HydrophobicContact CB-CE2 4.15Å; W791-F803 HydrophobicContact CB-CZ 3.72Å; W791-F803 HydrophobicContact CE3-CE2 4.16Å; W791-F803 HydrophobicContact CE3-CZ 4.19Å; W791-F803 PolarHBondContact N-O 3.07Å; W791-F803 VanDerWaalsContact O-CD1 3.27Å; W791-F803 WeakPolarHBondContact O-CD1 3.43Å; W791-F803 PolarHBondContact O-N 2.96Å; W791-A805 HydrophobicContact CD2-CB 3.88Å; W791-A805 VanDerWaalsContact CE2-CB 3.47Å; W791-A805 HydrophobicContact CE3-CB 4.45Å; W791-A805 HydrophobicContact CG-CB 4.27Å; W791-A805 HydrophobicContact CH2-CB 4.29Å; W791-A805 HydrophobicContact CZ2-CB 3.71Å; W791-V808 HydrophobicContact CE3-CG2 4.26Å; W791-V808 HydrophobicContact CZ3-CG2 3.94Å
792F84.2Confident80.3Confident54 Ų5463.1 Ų63.124%0.23732%0.319CS..EExtended strand (participates in β ladder)trans-112.6129176.8-170.5-93.8000109.7L783 Y784 Q800 G801 Y802L783-F792 HydrophobicContact CB-CD1 4.33Å; L783-F792 HydrophobicContact CD1-CD1 4.47Å; L783-F792 HydrophobicContact CD1-CE1 4.35Å; L783-F792 PolarHBondContact N-O 2.87Å; Y784-F792 PolarHBondContact N-O 3.3Å; Y784-F792 PolarHBondContact O-N 3.32Å; Y784-F792 VanDerWaalsContact O-O 3.06Å; F792-Q800 HydrophobicContact CE1-CB 4.15Å; F792-Q800 HydrophobicContact CZ-CB 3.87Å; F792-G801 VanDerWaalsContact CD2-C 3.46Å; F792-G801 WeakPolarHBondContact CD2-O 3.26Å; F792-Y802 HydrophobicContact CB-CD1 3.93Å; F792-Y802 HydrophobicContact CB-CE1 3.81Å; F792-Y802 AromaticContact CD2-CD1 3.83Å; F792-Y802 HydrophobicContact CD2-CD1 3.83Å; F792-Y802 AromaticContact CD2-CD2 3.91Å; F792-Y802 HydrophobicContact CD2-CD2 3.91Å; F792-Y802 AromaticContact CD2-CE1 3.76Å; F792-Y802 HydrophobicContact CD2-CE1 3.76Å; F792-Y802 AromaticContact CD2-CE2 3.84Å; F792-Y802 HydrophobicContact CD2-CE2 3.84Å; F792-Y802 AromaticContact CD2-CG 3.9Å; F792-Y802 HydrophobicContact CD2-CG 3.9Å; F792-Y802 AromaticContact CD2-CZ 3.76Å; F792-Y802 HydrophobicContact CE2-CD2 4.34Å; F792-Y802 HydrophobicContact CE2-CE2 4.2Å; F792-Y802 HydrophobicContact CG-CD1 4.39Å; F792-Y802 HydrophobicContact CG-CE1 4.2Å
793G88Confident80.4Confident0 Ų062.4 Ų62.40%032%0.315CS..EExtended strand (participates in β ladder)trans-153.7178.5-172.700000113.8Q781 Q800 G801Q781-G793 CarbonylContact O-C 3.54Å; Q781-G793 WeakPolarHBondContact O-CA 3.02Å; G793-Q800 VanDerWaalsContact O-CA 3.3Å; G793-Q800 WeakPolarHBondContact O-CA 3.46Å; G793-G801 PolarHBondContact N-O 2.85Å; G793-G801 PolarHBondContact O-N 3.4Å
794R85.3Confident80.6Confident104 Ų10460.2 Ų60.239%0.39230%0.304SS..EExtended strand (participates in β ladder)trans-122127.6-179.7171.4171.2-97.2171.1-6.3110.8I780 Q781 L783 G798 L799 Q800I780-R794 WeakPolarHBondContact CA-O 3.29Å; Q781-R794 PolarHBondContact N-O 2.58Å; Q781-R794 PolarHBondContact O-N 3.21Å; L783-R794 HydrophobicContact CD1-CB 3.98Å; L783-R794 HydrophobicContact CG-CB 4.45Å; R794-G798 PolarHBondContact NE-O 3.27Å; R794-G798 VanDerWaalsContact NE-O 3.09Å; R794-L799 VanDerWaalsContact CA-O 3.27Å; R794-L799 WeakPolarHBondContact CA-O 3.27Å; R794-Q800 HydrophobicContact CB-CG 3.96Å; R794-Q800 HydrophobicContact CG-CG 4.31Å
795L84.1Confident80.8Confident9 Ų955.9 Ų55.95%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-75.4158.7167.6-82164.5000111.1L772 D778 I780 N797 G798 L799L772-L795 HydrophobicContact CD1-CD1 3.94Å; L772-L795 HydrophobicContact CD2-CD1 4.07Å; L772-L795 HydrophobicContact CD2-CG 4.03Å; L772-L795 HydrophobicContact CG-CD1 3.89Å; L772-L795 HydrophobicContact CG-CG 4.41Å; D778-L795 HydrophobicContact CB-CD2 3.65Å; I780-L795 HydrophobicContact CG1-CD2 3.8Å; I780-L795 HydrophobicContact CG1-CG 4.4Å; L795-N797 WeakPolarHBondContact CB-OD1 3.35Å; L795-N797 PolarHBondContact O-N 2.96Å; L795-N797 VanDerWaalsContact O-N 3.12Å; L795-G798 WeakPolarHBondContact O-CA 3.16Å; L795-G798 PolarHBondContact O-N 2.84Å; L795-L799 PolarHBondContact N-O 2.85Å
796V73.9Confident80.8Confident129 Ų12955.8 Ų55.878%0.78230%0.299SS*.THydrogen-bonded Turntrans-55.9-28.8175.1-176.20000112.6V779 G798V779-V796 HydrophobicContact CB-CG2 4.14Å; V796-G798 PolarHBondContact O-N 2.93Å
797N72.8Confident81.4Confident109 Ų10958.6 Ų58.658%0.58331%0.309SS*.THydrogen-bonded Turntrans-72.41.2173.765.525.6000114.7L795 L799L795-N797 WeakPolarHBondContact CB-OD1 3.35Å; L795-N797 PolarHBondContact O-N 2.96Å; L795-N797 VanDerWaalsContact O-N 3.12Å; N797-L799 VanDerWaalsContact C-N 3.35Å; N797-L799 PolarHBondContact O-N 2.69Å; N797-L799 VanDerWaalsContact OD1-CB 3.25Å; N797-L799 WeakPolarHBondContact OD1-CB 3.39Å; N797-L799 VanDerWaalsContact OD1-CG 3.29Å; N797-L799 WeakPolarHBondContact OD1-CG 3.32Å; N797-L799 PolarHBondContact OD1-N 3.08Å
798G72.3Confident81.7Confident33 Ų3357.3 Ų57.334%0.3430%0.303SS..SBendtrans88.8-14.9176.600000115.6R794 L795 V796R794-G798 PolarHBondContact NE-O 3.27Å; R794-G798 VanDerWaalsContact NE-O 3.09Å; L795-G798 WeakPolarHBondContact O-CA 3.16Å; L795-G798 PolarHBondContact O-N 2.84Å; V796-G798 PolarHBondContact O-N 2.93Å
799L76.4Confident82.1Confident106 Ų10652.3 Ų52.356%0.55528%0.275SS*.  trans-62.3146.4178.1-63.3175.9000111.3L772 R794 L795 N797L772-L799 HydrophobicContact CD1-CB 4.1Å; R794-L799 VanDerWaalsContact CA-O 3.27Å; R794-L799 WeakPolarHBondContact CA-O 3.27Å; L795-L799 PolarHBondContact N-O 2.85Å; N797-L799 VanDerWaalsContact C-N 3.35Å; N797-L799 PolarHBondContact O-N 2.69Å; N797-L799 VanDerWaalsContact OD1-CB 3.25Å; N797-L799 WeakPolarHBondContact OD1-CB 3.39Å; N797-L799 VanDerWaalsContact OD1-CG 3.29Å; N797-L799 WeakPolarHBondContact OD1-CG 3.32Å; N797-L799 PolarHBondContact OD1-N 3.08Å
800Q86.9Confident82Confident96 Ų9651 Ų5145%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-129.8138.6-178.4-70.2179.2-30.400110.4L783 F792 G793 R794L783-Q800 HydrophobicContact CD1-CG 4.3Å; L783-Q800 VanDerWaalsContact CD1-NE2 3.29Å; F792-Q800 HydrophobicContact CE1-CB 4.15Å; F792-Q800 HydrophobicContact CZ-CB 3.87Å; G793-Q800 VanDerWaalsContact O-CA 3.3Å; G793-Q800 WeakPolarHBondContact O-CA 3.46Å; R794-Q800 HydrophobicContact CB-CG 3.96Å; R794-Q800 HydrophobicContact CG-CG 4.31Å
801G83.6Confident81.1Confident1 Ų154.3 Ų54.31%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-178.4175-17900000113.2D770 F792 G793D770-G801 WeakPolarHBondContact O-CA 3.47Å; F792-G801 VanDerWaalsContact CD2-C 3.46Å; F792-G801 WeakPolarHBondContact CD2-O 3.26Å; G793-G801 PolarHBondContact N-O 2.85Å; G793-G801 PolarHBondContact O-N 3.4Å
802Y85.4Confident79.5Confident45 Ų4557.1 Ų57.118%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-83.5139.3175.2-68.3-77.9000111.9D770 E771 L772 D786 W791 F792D770-Y802 HydrophobicContact CB-CD2 4.3Å; D770-Y802 WeakPolarHBondContact O-CD2 3.02Å; D770-Y802 PolarHBondContact O-N 2.81Å; E771-Y802 CarbonylContact C-O 3.49Å; E771-Y802 VanDerWaalsContact CA-O 3.32Å; E771-Y802 WeakPolarHBondContact CA-O 3.49Å; L772-Y802 PolarHBondContact N-O 3.33Å; D786-Y802 HydrophobicContact CB-CD1 4.46Å; D786-Y802 HydrophobicContact CB-CE1 3.92Å; W791-Y802 CarbonylContact O-C 3.53Å; W791-Y802 VanDerWaalsContact O-CA 3.31Å; W791-Y802 WeakPolarHBondContact O-CA 3.21Å; F792-Y802 HydrophobicContact CB-CD1 3.93Å; F792-Y802 HydrophobicContact CB-CE1 3.81Å; F792-Y802 AromaticContact CD2-CD1 3.83Å; F792-Y802 HydrophobicContact CD2-CD1 3.83Å; F792-Y802 AromaticContact CD2-CD2 3.91Å; F792-Y802 HydrophobicContact CD2-CD2 3.91Å; F792-Y802 AromaticContact CD2-CE1 3.76Å; F792-Y802 HydrophobicContact CD2-CE1 3.76Å; F792-Y802 AromaticContact CD2-CE2 3.84Å; F792-Y802 HydrophobicContact CD2-CE2 3.84Å; F792-Y802 AromaticContact CD2-CG 3.9Å; F792-Y802 HydrophobicContact CD2-CG 3.9Å; F792-Y802 AromaticContact CD2-CZ 3.76Å; F792-Y802 HydrophobicContact CE2-CD2 4.34Å; F792-Y802 HydrophobicContact CE2-CE2 4.2Å; F792-Y802 HydrophobicContact CG-CD1 4.39Å; F792-Y802 HydrophobicContact CG-CE1 4.2Å
803F86.1Confident77.8Confident0 Ų061 Ų610%033%0.327CS..EExtended strand (participates in β ladder)trans-142.8160.7178.366-84.1000111.7V758 L772 I774 I780 V782 W790 W791 V808V758-F803 HydrophobicContact CG2-CE2 4.25Å; V758-F803 HydrophobicContact CG2-CZ 4.23Å; L772-F803 HydrophobicContact CB-CB 4.43Å; L772-F803 HydrophobicContact CD2-CD1 4.47Å; I774-F803 HydrophobicContact CD1-CB 3.3Å; I774-F803 HydrophobicContact CD1-CD2 4.27Å; I774-F803 HydrophobicContact CD1-CG 3.87Å; I780-F803 HydrophobicContact CD1-CD2 4.3Å; I780-F803 HydrophobicContact CD1-CE2 4.39Å; I780-F803 HydrophobicContact CD1-CG 4.46Å; I780-F803 HydrophobicContact CG2-CD1 4.35Å; I780-F803 HydrophobicContact CG2-CE1 3.75Å; I780-F803 HydrophobicContact CG2-CZ 3.93Å; V782-F803 HydrophobicContact CG2-CZ 4.37Å; W790-F803 WeakPolarHBondContact CA-O 3.41Å; W791-F803 HydrophobicContact CB-CE1 3.97Å; W791-F803 HydrophobicContact CB-CE2 4.15Å; W791-F803 HydrophobicContact CB-CZ 3.72Å; W791-F803 HydrophobicContact CE3-CE2 4.16Å; W791-F803 HydrophobicContact CE3-CZ 4.19Å; W791-F803 PolarHBondContact N-O 3.07Å; W791-F803 VanDerWaalsContact O-CD1 3.27Å; W791-F803 WeakPolarHBondContact O-CD1 3.43Å; W791-F803 PolarHBondContact O-N 2.96Å; F803-V808 HydrophobicContact CD2-CG1 3.94Å; F803-V808 HydrophobicContact CE2-CB 4.45Å; F803-V808 HydrophobicContact CE2-CG1 3.74Å; F803-V808 HydrophobicContact CE2-CG2 3.88Å
804L83.1Confident75.7Confident34 Ų3466 Ų6618%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-78.5130.4-178.2-71.497.9000112.3Y764 T789 W790 S806 Y807Y764-L804 HydrophobicContact CD1-CD1 4.44Å; Y764-L804 HydrophobicContact CD2-CD1 3.9Å; Y764-L804 HydrophobicContact CE1-CD1 4.08Å; Y764-L804 HydrophobicContact CE2-CD1 3.5Å; Y764-L804 VanDerWaalsContact CE2-CD1 3.5Å; Y764-L804 HydrophobicContact CG-CD1 4.37Å; T789-L804 VanDerWaalsContact O-CA 3.28Å; T789-L804 WeakPolarHBondContact O-CA 3.29Å; W790-L804 HydrophobicContact CD2-CG 4.32Å; W790-L804 HydrophobicContact CE3-CD1 4.39Å; W790-L804 HydrophobicContact CE3-CG 4.31Å; W790-L804 HydrophobicContact CH2-CD1 3.61Å; W790-L804 HydrophobicContact CH2-CG 4.12Å; W790-L804 HydrophobicContact CZ2-CD1 3.99Å; W790-L804 HydrophobicContact CZ2-CD2 4.45Å; W790-L804 HydrophobicContact CZ2-CG 4.07Å; W790-L804 HydrophobicContact CZ3-CD1 3.81Å; W790-L804 HydrophobicContact CZ3-CG 4.21Å; L804-S806 PolarHBondContact O-N 2.89Å; L804-Y807 HydrophobicContact CB-CD2 3.81Å; L804-Y807 HydrophobicContact CB-CG 4.33Å; L804-Y807 PolarHBondContact O-N 3.05Å; L804-Y807 VanDerWaalsContact O-N 3.12Å
805A83.1Confident73.3Confident14 Ų1465.9 Ų65.912%0.11636%0.364CS..G310 helixtrans-61.5-30.8176.800000112.9D788 T789 W791 Y807 V808D788-A805 WeakPolarHBondContact O-CB 3.42Å; T789-A805 PolarHBondContact O-N 2.83Å; W791-A805 HydrophobicContact CD2-CB 3.88Å; W791-A805 VanDerWaalsContact CE2-CB 3.47Å; W791-A805 HydrophobicContact CE3-CB 4.45Å; W791-A805 HydrophobicContact CG-CB 4.27Å; W791-A805 HydrophobicContact CH2-CB 4.29Å; W791-A805 HydrophobicContact CZ2-CB 3.71Å; A805-Y807 PolarHBondContact O-N 3.37Å; A805-V808 WeakPolarHBondContact O-CG2 3.3Å
806S82.1Confident71.4Confident78 Ų7874.2 Ų74.255%0.54540%0.403SS..G310 helixtrans-77.4-1.8177.854.40000114.8L804L804-S806 PolarHBondContact O-N 2.89Å
807Y82.2Confident69.3Low75 Ų7575.4 Ų75.429%0.29441%0.405SS..G310 helixtrans-102.62.6179.1-84.5-117.8000112.8S760 I761 Y762 Y764 L804 A805S760-Y807 WeakPolarHBondContact CA-O 3.43Å; I761-Y807 WeakPolarHBondContact CG1-O 3.41Å; I761-Y807 PolarHBondContact N-O 2.89Å; Y762-Y807 HydrophobicContact CD2-CD1 4.39Å; Y762-Y807 HydrophobicContact CG-CD1 4.49Å; Y764-Y807 HydrophobicContact CD2-CE1 4.41Å; L804-Y807 HydrophobicContact CB-CD2 3.81Å; L804-Y807 HydrophobicContact CB-CG 4.33Å; L804-Y807 PolarHBondContact O-N 3.05Å; L804-Y807 VanDerWaalsContact O-N 3.12Å; A805-Y807 PolarHBondContact O-N 3.37Å
808V83.9Confident67.1Low15 Ų1576.2 Ų76.29%0.09142%0.419CS..EExtended strand (participates in β ladder)trans-131.7159.1-177.5-62.90000112.1V758 V759 I780 W791 F803 A805V758-V808 HydrophobicContact CB-CB 4.01Å; V758-V808 HydrophobicContact CB-CG2 4.2Å; V758-V808 HydrophobicContact CG2-CB 3.86Å; V758-V808 HydrophobicContact CG2-CG1 3.96Å; V758-V808 HydrophobicContact CG2-CG2 3.96Å; V759-V808 CarbonylContact O-C 3.55Å; V759-V808 VanDerWaalsContact O-CA 3.26Å; V759-V808 WeakPolarHBondContact O-CA 3.3Å; I780-V808 HydrophobicContact CD1-CG1 4.1Å; W791-V808 HydrophobicContact CE3-CG2 4.26Å; W791-V808 HydrophobicContact CZ3-CG2 3.94Å; F803-V808 HydrophobicContact CD2-CG1 3.94Å; F803-V808 HydrophobicContact CE2-CB 4.45Å; F803-V808 HydrophobicContact CE2-CG1 3.74Å; F803-V808 HydrophobicContact CE2-CG2 3.88Å; A805-V808 WeakPolarHBondContact O-CG2 3.3Å
809I81.1Confident65.1Low49 Ų4979.7 Ų79.725%0.25144%0.444SS..EExtended strand (participates in β ladder)trans-129.3153.6171.2-168.8171.2000109.3V758 V759 I761 E813 F814V758-I809 CarbonylContact C-O 3.52Å; V758-I809 VanDerWaalsContact CA-O 3.25Å; V758-I809 WeakPolarHBondContact CA-O 3.5Å; V758-I809 WeakPolarHBondContact CB-O 3.47Å; V759-I809 HydrophobicContact CB-CG2 4.5Å; V759-I809 PolarHBondContact N-O 3.11Å; V759-I809 PolarHBondContact O-N 3.3Å; I761-I809 HydrophobicContact CG2-CB 4.24Å; I761-I809 HydrophobicContact CG2-CG2 3.76Å; I809-E813 HydrophobicContact CD1-CB 3.79Å; I809-E813 HydrophobicContact CG1-CB 3.91Å; I809-F814 HydrophobicContact CG2-CD2 3.89Å
810D77.3Confident62.9Low47 Ų4783.3 Ų83.325%0.25146%0.459SS..EExtended strand (participates in β ladder)trans-67.1143.4175.9-153.5-23.5000110.6Q756 S812 E813Q756-D810 PolarHBondContact NE2-OD2 3.49Å; D810-S812 PolarHBondContact O-N 2.9Å; D810-S812 VanDerWaalsContact O-N 3.13Å; D810-E813 PolarHBondContact O-N 3.32Å
811Q64.8Low60Low102 Ų10290.6 Ų90.648%0.47748%0.482SS..G310 helixtrans-63.4-22.2-177.1-170.2174.815.300112.3I757 V759I757-Q811 VanDerWaalsContact CG2-OE1 3.26Å; I757-Q811 WeakPolarHBondContact O-CB 3.35Å; I757-Q811 PolarHBondContact O-N 2.98Å; I757-Q811 VanDerWaalsContact O-N 3.12Å; V759-Q811 HydrophobicContact CG2-CB 4.35Å; V759-Q811 HydrophobicContact CG2-CG 4.3Å
812S54.1Low57.1Low100 Ų10098 Ų9870%0.69952%0.521SS*.G310 helixtrans-72.9-18.6174.452.40000114.9D810D810-S812 PolarHBondContact O-N 2.9Å; D810-S812 VanDerWaalsContact O-N 3.13Å
813E47.7Very low55Low134 Ų134100.3 Ų100.363%0.62654%0.542SS*.G310 helixtrans-100.3-1.9178.2-62.9-175.7146.400112.5I809 D810 S815I809-E813 HydrophobicContact CD1-CB 3.79Å; I809-E813 HydrophobicContact CG1-CB 3.91Å; D810-E813 PolarHBondContact O-N 3.32Å; E813-S815 PolarHBondContact O-N 2.77Å
814F43.1Very low52.1Low105 Ų105106.3 Ų106.346%0.46158%0.579SS.*  trans-88.279.7-177.5-159.4-88.4000112.2V759 I809V759-F814 HydrophobicContact CB-CD2 4.38Å; V759-F814 HydrophobicContact CG1-CD2 4.36Å; V759-F814 HydrophobicContact CG1-CE2 4.23Å; I809-F814 HydrophobicContact CG2-CD2 3.89Å
815S35.6Very low49.3Very low103 Ų103109.5 Ų109.572%0.7260%0.604SS**  trans-77.911917158.60000112E813 D817E813-S815 PolarHBondContact O-N 2.77Å; S815-D817 PolarHBondContact O-N 2.71Å
816E43.6Very low46.7Very low184 Ų184117.1 Ų117.186%0.8664%0.642SS**  trans-69.287.5166.7-70.1-169.8123.800111.1
817D29.6Very low44Very low154 Ų154117 Ų11782%0.82465%0.653SS**  trans-154.653.4170.3-136.6-11.7000115S815S815-D817 PolarHBondContact O-N 2.71Å
818S27.5Very low41.4Very low126 Ų126122.6 Ų122.688%0.88168%0.678SS**  trans-158.838.5160.959.20000114.3
819A30.4Very low38.7Very low105 Ų105128.4 Ų128.487%0.86871%0.709SS**  trans-108.748.5-177.100000114
820E30Very low36.1Very low183 Ų183133.1 Ų133.186%0.85574%0.74SS**  trans-157100.1166.9-128.8179.3-131.900114.6
821R25.2Very low33.7Very low249 Ų249139.7 Ų139.794%0.9477%0.769SS**  trans-171.7109.4135.9-115.9174.1-74.6-175.1-4.1113.7
822D24.3Very low32.1Very low156 Ų156141 Ų14183%0.83478%0.783SS**  trans-138.1160.1160-126.8-21.2000105.6
823P40.3Very low30.9Very low94 Ų94142 Ų14261%0.6179%0.788SS**  cis-133-165.7-7.941-23.2000113.2
824T24.6Very low30Very low126 Ų126141 Ų14177%0.77379%0.791SS**  trans59.9115.9159.655.40000117.9
825S25.8Very low29.3Very low101 Ų101142.2 Ų142.271%0.70681%0.809SS**  cis169.9167.346.651.20000111.4
826L27Very low29Very low174 Ų174142.9 Ų142.991%0.91181%0.809SS**  trans64.2128.7162-67159.2000118.9
827G25.5Very low28.2Very low75 Ų75144.7 Ų144.777%0.77381%0.808SS**  trans-169.6-56.3173.800000118.2
828K27.7Very low28.1Very low192 Ų192144.6 Ų144.684%0.83581%0.813SS**  trans74.5132.6-173-68.8-177174.6178.40118.4
829N26.9Very low28.2Very low138 Ų138143.4 Ų143.474%0.73881%0.805SS**  trans57.7102.8138.6-56.921.6000121.1
830V27.1Very low28.2Very low147 Ų147142.6 Ų142.689%0.89180%0.798SS**  -137140.2106.6-178.70000107.4
831E26.4Very low28.4Very low185 Ų185138.2 Ų138.286%0.86479%0.793SS**  trans-95.9157.4-179.1-71.9-173.9125.300113.7
832V31.2Very low28.9Very low129 Ų129131.9 Ų131.978%0.78278%0.782SS**  trans-94.1149.3177.7174.80000110.2
833P29.7Very low29.8Very low122 Ų122129 Ų12979%0.79277%0.766SS**  trans-121.3130.514634.4-26.2000112.7
834T27.8Very low29.7Very low113 Ų113131 Ų13169%0.69378%0.783SS**PPolyproline II helixtrans-78.9149.3167.343.50000111.3
835P29.3Very low31.1Very low130 Ų130129.9 Ų129.984%0.84478%0.78SS**PPolyproline II helixtrans-76.5123157.330.5-29.9000109.8
836T28.3Very low32.1Very low117 Ų117127.8 Ų127.872%0.71877%0.774SS**PPolyproline II helixtrans-68.2151.2-174.643.20000115.7
837R27Very low32.9Very low222 Ų222125.3 Ų125.384%0.83876%0.758SS**  trans22.7118.3136.9-63.2173.5167.1168.7-5.7117.6
838V29.2Very low33.3Very low152 Ų152127.7 Ų127.792%0.92175%0.753SS**PPolyproline II helixtrans-89.5120.6148-73.50000109.7
839S28.7Very low33.8Very low102 Ų102127.9 Ų127.971%0.71375%0.748SS**PPolyproline II helixtrans-100.9117.6179.8-61.80000110.4
840A30.1Very low34.1Very low88 Ų88131.3 Ų131.373%0.72776%0.757SS**PPolyproline II helixtrans-73.8127.7170.500000110.3L848A840-L848 HydrophobicContact CB-CD2 4.22Å
841A34.8Very low34.2Very low91 Ų91132.5 Ų132.575%0.75276%0.757SS**  trans-115.9124.917800000110.6
842V34.5Very low34.4Very low115 Ų115129.5 Ų129.570%0.69776%0.756SS**  trans-91123.9-179.7173.50000109.6
843N43.4Very low34.1Very low95 Ų95132.7 Ų132.751%0.50876%0.763SS.*  trans-83.3164.9164.282.229.2000110.5S845 G846N843-S845 PolarHBondContact O-N 2.77Å; N843-S845 PolarHBondContact OD1-N 2.72Å; N843-S845 PolarHBondContact OD1-OG 2.8Å; N843-G846 PolarHBondContact O-N 2.85Å; N843-G846 VanDerWaalsContact O-N 3.11Å
844S39.1Very low34.7Very low138 Ų138132.1 Ų132.197%0.96576%0.759SS**THydrogen-bonded Turntrans-70.621.9-174.562.70000115.9
845S54.6Low34.6Very low102 Ų102132.9 Ų132.971%0.71376%0.764SS**THydrogen-bonded Turntrans-132.32.2167.855.40000115.3N843 E847N843-S845 PolarHBondContact O-N 2.77Å; N843-S845 PolarHBondContact OD1-N 2.72Å; N843-S845 PolarHBondContact OD1-OG 2.8Å; S845-E847 PolarHBondContact O-N 3.45Å
846G46.5Very low34.5Very low57 Ų57135.7 Ų135.759%0.58876%0.763SS**  trans83.43.4157.300000120.1N843N843-G846 PolarHBondContact O-N 2.85Å; N843-G846 VanDerWaalsContact O-N 3.11Å
847E42.3Very low34.5Very low122 Ų122134.9 Ų134.957%0.5776%0.762SS**  trans-79.3143.6169.3-81.6-156163.900112.4S845 R849S845-E847 PolarHBondContact O-N 3.45Å; E847-R849 IonicContact OE1-NH2 2.67Å; E847-R849 IonicContact OE2-CZ 3.93Å; E847-R849 IonicContact OE2-NE 3.84Å; E847-R849 PolarHBondContact OE2-NE 3.01Å; E847-R849 IonicContact OE2-NH2 2.68Å; E847-R849 PolarHBondContact OE2-NH2 2.93Å
848L35.5Very low34.5Very low125 Ų125131.2 Ų131.265%0.65476%0.759SS**  trans-102.6130.1166.3-73.4167.3000109.8A840A840-L848 HydrophobicContact CB-CD2 4.22Å
849R36.5Very low34.5Very low195 Ų195130.5 Ų130.574%0.73676%0.756SS**  trans-140.5143.4168.3-66-170.5-175-128.2-3.6110.7E847E847-R849 IonicContact OE1-NH2 2.67Å; E847-R849 IonicContact OE2-CZ 3.93Å; E847-R849 IonicContact OE2-NE 3.84Å; E847-R849 PolarHBondContact OE2-NE 3.01Å; E847-R849 IonicContact OE2-NH2 2.68Å; E847-R849 PolarHBondContact OE2-NH2 2.93Å
850F34.7Very low34.4Very low210 Ų210133.1 Ų133.192%0.92176%0.761SS**  trans-85.7145.9169.1-60.5-83.8000109.6
851L28.2Very low35.6Very low173 Ų173133.6 Ų133.691%0.90676%0.757SS**  trans-126.2143.3177.4-65.9174.8000109.8
852S30.1Very low35.3Very low121 Ų121136.9 Ų136.985%0.84676%0.757SS**  trans-147.9126.3175.455.70000109
853E26Very low35.3Very low196 Ų196137.3 Ų137.392%0.91676%0.755SS**  trans-140.2170-171.8-106.7-164.3-175.800110.9
854P41.9Very low34.6Very low111 Ų111138.5 Ų138.572%0.72177%0.766SS**  -132.1-168.5-12543.8-27.6000115.6
855T26Very low34.2Very low128 Ų128138.9 Ų138.979%0.78576%0.757SS**  trans-174.8155.3166.212.20000108.4
856F27Very low33.1Very low189 Ų189137.2 Ų137.283%0.82975%0.749SS**  cis-162178.1-15.7-139.3-15000109.3
857S28.3Very low32.4Very low100 Ų100140.4 Ų140.470%0.69976%0.758SS**  trans65.1140.6163.871.30000118.6
858D27.4Very low31.8Very low146 Ų146139.6 Ų139.678%0.78176%0.761SS**  cis-160.2175.6-9.5-132-45.3000113.7
859T28.3Very low31.5Very low137 Ų137142.7 Ų142.784%0.8476%0.764SS**  trans78152.9170.455.80000120.3
860D27.3Very low31.3Very low156 Ų156142.2 Ų142.283%0.83476%0.762SS**  trans-151.5-177.7-148.9-132.7-3.4000108.1
861P55.1Low31.1Very low98 Ų98141 Ų14164%0.63675%0.751SS**  cis-137.2-162.5-8.234.7-11.7000115.1
862E29.1Very low31.1Very low161 Ų161142.1 Ų142.175%0.75274%0.743SS**  trans101.4140.4157.4-54.3-141.8134.400117.9
863L33.2Very low31.1Very low123 Ų123145 Ų14564%0.64474%0.741SS**  cis-161154.7-13.9-111.4177.6000110.5
864T30.5Very low31.3Very low121 Ų121141.9 Ų141.974%0.74274%0.735SS**  trans40.8141.2154.3490000122.7
865D29.9Very low30.6Very low146 Ų146145.5 Ų145.578%0.78174%0.739SS**  cis-167171.8-15.8-159.43.4000111
866A32.4Very low30.7Very low67 Ų67148.2 Ų148.255%0.55474%0.74SS**  trans30141.9142.400000122.7
867T30.1Very low32Very low124 Ų124145 Ų14576%0.76174%0.739SS**  cis-164.9156.1-5.521.50000112.9
868T30.2Very low31.8Very low104 Ų104143.9 Ų143.964%0.63874%0.743SS**  trans11155.5142.4670000123.1
869R30.2Very low31.8Very low190 Ų190141.9 Ų141.972%0.71775%0.746SS**  cis-177.7143.4-4.3-105165.6-177.6178.91.8110.1
870R30.6Very low31.9Very low185 Ų185140 Ų14070%0.69874%0.744SS**  trans63157139.7-65176.6175.7-178-0.9118.3
871R30.8Very low32.4Very low185 Ų185137 Ų13770%0.69874%0.741SS**  cis-162.4137.6-1.5-123.5172.3-178.4-174.10.1113
872R29.8Very low31.1Very low196 Ų196138.4 Ų138.474%0.7475%0.748SS**  trans56.3125.1138.3-80.4-177.7169-174.5-2.5124.3
873K29.1Very low31.2Very low181 Ų181138.3 Ų138.379%0.78775%0.748SS**  trans68.7158.1139.5-60-176.1171.5-1700117.3
874V29.7Very low30.9Very low131 Ų131139 Ų13979%0.79476%0.757SS**  cis-135.217314.1-174.80000111.4
875K27.2Very low30.8Very low187 Ų187136.2 Ų136.281%0.81375%0.752SS**  trans-58.5173.6165-37.7171.2177.9174.20112
876K29.5Very low30.9Very low186 Ų186139.5 Ų139.581%0.80976%0.76SS**  cis-159.3-152.79.7-151.3-171.4-178.9-167.60110.4
877P53.4Low30.8Very low122 Ų122140 Ų14079%0.79276%0.76SS**  -96.2-175.7-118.741.9-23.8000117.1
878G24.3Very low30.8Very low76 Ų76142.7 Ų142.778%0.78476%0.764SS**  trans-166.9162.6166.700000111.9
879A27.9Very low30.9Very low104 Ų104141.8 Ų141.886%0.8677%0.767SS**  trans-150.2160-173.900000114.9
880A29.2Very low30.8Very low96 Ų96142.1 Ų142.179%0.79378%0.776SS**  trans69.3108156.500000121.7
881A38Very low31.1Very low93 Ų93137.4 Ų137.477%0.76978%0.777SS**  61.1130.212300000123.3
882T28.1Very low31.2Very low129 Ų129134.5 Ų134.579%0.79179%0.785SS**  trans-179153.1154.816.20000107.2
883Q31.6Very low31.3Very low158 Ų158128.3 Ų128.374%0.73878%0.782SS**  cis-166.9171.9-22.6-137.11761000110.3
884T27Very low31.5Very low138 Ų138125.5 Ų125.585%0.84779%0.785SS**  trans66.1155.5154.552.10000122.3
885G28.2Very low31.9Very low62 Ų62123.7 Ų123.764%0.63978%0.784SS**  trans-175.4169.8167.900000109.6
886F30.8Very low32.1Very low216 Ų216125.4 Ų125.495%0.94779%0.786SS**  trans-166.9-166.1163.6-110.7-70000111.6
887S30.5Very low32.3Very low77 Ų77123.2 Ų123.254%0.53878%0.778SS.*  trans-127.3172.7-143.555.50000118.9
888E29.8Very low31.3Very low181 Ų181121.2 Ų121.285%0.84677%0.772SS**  trans72.7153.7149-76.9156.1134.300120.2
889A32.9Very low31.5Very low85 Ų85127.4 Ų127.470%0.70277%0.772SS**  cis-164.8171.3-11.500000113.4
890E29.5Very low31.9Very low196 Ų196128.6 Ų128.692%0.91677%0.769SS**  trans62.3154.2158.6-72.2-160.2149.100120.9
891A35.3Very low33.1Very low87 Ų87129.5 Ų129.572%0.71977%0.767SS**  cis-166.8172.6-18.300000108.2
892S33.9Very low32.9Very low123 Ų123130 Ų13086%0.8677%0.771SS**  cis-127.2-124.92.549.50000110.2
893G31.6Very low33.2Very low66 Ų66134.2 Ų134.268%0.6877%0.772SS**  cis145.4159.60.900000110.4
894S33.1Very low34Very low122 Ų122132.6 Ų132.685%0.85378%0.775SS**  cis-174.7170.1-18.6570000109
895A37.6Very low34.5Very low94 Ų94132.8 Ų132.878%0.77777%0.77SS**  cis-172.3133.4-46.200000110.6
896R31.2Very low35.3Very low223 Ų223135.8 Ų135.884%0.84278%0.778SS**  trans-155.8111.6158.7-104.8-167.6164.5132.26.8112.9
897E34.6Very low35.4Very low139 Ų139135.2 Ų135.265%0.6578%0.776SS**  76.312992.3-73.4-165.6104.600114.3R899E897-R899 IonicContact OE1-NH2 3.58Å
898A31.7Very low35.4Very low81 Ų81142.5 Ų142.567%0.66979%0.791SS**  cis-162.2-173-7.800000108.4
899R30Very low36.2Very low206 Ų206139.8 Ų139.878%0.77779%0.789SS**  cis-155.2-152.45.4-149.6158.3-103.2-171-1110.8E897E897-R899 IonicContact OE1-NH2 3.58Å
900T35.8Very low36.2Very low128 Ų128141.8 Ų141.879%0.78579%0.793SS**  trans-148.6-172.6-168.553.70000110
901P54.9Low36.2Very low116 Ų116136 Ų13675%0.75379%0.786SS**  cis-151.4-173.513.345.9-24.1000120.3
902A32.3Very low36.1Very low103 Ų103141.5 Ų141.585%0.85180%0.797SS**  trans99.9156137.900000124
903R34.6Very low35.9Very low218 Ų218139.8 Ų139.882%0.82379%0.785SS**  trans-129.7169.5-164.5-143.1-173.5-172.9177.73.2108.9
904P48.5Very low35.9Very low123 Ų123143 Ų14380%0.79979%0.786SS**  -157.7-16780.242-20.1000116.5
905L37.8Very low35.7Very low142 Ų142148.5 Ų148.574%0.74379%0.788SS**  trans-103.9156.2175.7-70.4160.6000112.9
906P45Very low35.4Very low125 Ų125148.5 Ų148.581%0.81279%0.789SS**  trans-107.3-174.2157.237-28.6000113.7
907K32.3Very low35.5Very low205 Ų205146.8 Ų146.889%0.89179%0.787SS**  trans-122.6168.1-157.4-60173.3-178.8173.50114.9
908R32.1Very low35.5Very low229 Ų229148.6 Ų148.686%0.86480%0.796SS**  trans-55.1149.7160.4-77.1-177.5175.3174.8-2.9112.8
909P45.2Very low36.3Very low125 Ų125150.1 Ų150.181%0.81280%0.799SS**  trans-94.3169.3139.136.3-30.7000111.7
910T32.4Very low36.9Very low127 Ų127151.8 Ų151.878%0.77982%0.823SS**  trans-128.1121.9-171.447.90000113.8
911G29.6Very low36.9Very low74 Ų74153 Ų15376%0.76383%0.825SS**  trans68.4134144.100000120.1
912Q33.5Very low36Very low202 Ų202154.9 Ų154.994%0.94483%0.829SS**  -150.7152.9121.7-114175.613.800112.5
913S30.2Very low36.2Very low88 Ų88157.8 Ų157.862%0.61583%0.828SS**  trans-77.4171.9-165.149.50000117.3
914N31.3Very low36.3Very low132 Ų132154.3 Ų154.371%0.70683%0.828SS**  trans82.1116.4156.4-61.8-25.5000116.1
915R28.4Very low35.5Very low238 Ų238156.3 Ų156.390%0.89883%0.83SS**  85.8107.260.1-84.7-176.1166.4-166.2-1.4112.4
916A32.4Very low35.4Very low95 Ų95157.2 Ų157.279%0.78584%0.836SS**  trans-169.7152.9130.800000110.4
917F33.7Very low34.7Very low186 Ų186159.5 Ų159.582%0.81684%0.838SS**  trans-29.2141.8175.5-62.6-93.6000116.9
918E33.8Very low34.9Very low178 Ų178156 Ų15683%0.83283%0.833SS**  66.9148.861.6-83.1-162.3161.700114.3
919P48.8Very low35.1Very low112 Ų112149.9 Ų149.973%0.72783%0.831SS**  trans-116.1176.1-13343-36.9000115.9
920D41.9Very low34.2Very low242 Ų242152.2 Ų152.2100%1.29483%0.833SS**  trans-130.50140.5-85.6-49.4000108.1

Retrieved 920 of 920 residues in 889.2 ms (Link to these results)

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