A0A087YF62_POEFO Loading...

SEC14 like lipid binding 1

AlphaFold DB , UniProt , Accession A0A087YF62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 727 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M52.3Low75.9Confident131 Ų13186.9 Ų86.965%0.64544%0.441SS*.  0128.60178.1179.877.200106.4Q3 D133 I134M1-Q3 HydrophobicContact CE-CG 4.37Å; M1-Q3 PolarHBondContact O-N 2.83Å; M1-D133 WeakPolarHBondContact CA-OD1 3.03Å; M1-D133 PolarHBondContact N-OD1 2.88Å; M1-I134 PolarHBondContact N-O 3.28Å; M1-I134 VanDerWaalsContact N-O 3.12Å
2V67.4Low77.2Confident86 Ų8680.3 Ų80.352%0.52141%0.406SS..EExtended strand (participates in β ladder)trans-7895.8-172.7-167.40000110.8K4 D133V2-K4 HydrophobicContact CG1-CG 4.49Å; V2-D133 HydrophobicContact CG2-CB 4.01Å; V2-D133 PolarHBondContact N-OD1 3.47Å
3Q67.5Low78.4Confident57 Ų5785.8 Ų85.827%0.26643%0.426SS..EExtended strand (participates in β ladder)trans-73.3138.7167.2-69.2-75.4500109.1M1 S131 L132 E145 M149M1-Q3 HydrophobicContact CE-CG 4.37Å; M1-Q3 PolarHBondContact O-N 2.83Å; Q3-S131 CarbonylContact O-C 3.53Å; Q3-S131 WeakPolarHBondContact O-CA 3.42Å; Q3-S131 WeakPolarHBondContact O-CB 3.4Å; Q3-L132 PolarHBondContact N-O 3.37Å; Q3-L132 PolarHBondContact O-N 2.87Å; Q3-E145 HydrophobicContact CG-CG 4.1Å; Q3-E145 VanDerWaalsContact CG-OE2 3.32Å; Q3-E145 WeakPolarHBondContact CG-OE2 3.42Å; Q3-E145 PolarHBondContact NE2-OE2 3.09Å; Q3-M149 HydrophobicContact CB-CE 3.9Å; Q3-M149 HydrophobicContact CG-CE 3.61Å
4K78.4Confident79.5Confident178 Ų17884.9 Ų84.977%0.77442%0.419SS*.EExtended strand (participates in β ladder)trans-122.8135.5172.8-66.6-170178-174.20110.1V2V2-K4 HydrophobicContact CG1-CG 4.49Å
5Y75.7Confident80.5Confident87 Ų8782.5 Ų82.534%0.34141%0.413SS..EExtended strand (participates in β ladder)trans-124.5145.1177.8179.4-84.4000110S7 T129 A130 Y152 I156Y5-S7 VanDerWaalsContact CE1-N 3.25Å; Y5-T129 CarbonylContact O-C 3.57Å; Y5-T129 WeakPolarHBondContact O-CA 3.37Å; Y5-T129 WeakPolarHBondContact O-CB 3.17Å; Y5-A130 PolarHBondContact N-O 3.44Å; Y5-A130 PolarHBondContact O-N 3.47Å; Y5-Y152 HydrophobicContact CD1-CD1 4.05Å; Y5-Y152 AromaticContact CD1-CE1 3.31Å; Y5-Y152 HydrophobicContact CD1-CE1 3.31Å; Y5-Y152 HydrophobicContact CE1-CD1 4.19Å; Y5-Y152 AromaticContact CE1-CE1 3.48Å; Y5-Y152 HydrophobicContact CE1-CE1 3.48Å; Y5-Y152 VanDerWaalsContact CE1-CE1 3.48Å; Y5-Y152 HydrophobicContact CG-CD1 4.39Å; Y5-Y152 HydrophobicContact CG-CE1 4.04Å; Y5-I156 HydrophobicContact CE1-CD1 3.79Å
6Q79Confident81.5Confident132 Ų13277.8 Ų77.862%0.61739%0.389SS*.EExtended strand (participates in β ladder)trans-132.1128170.6-178.41708.800108.5T129Q6-T129 HydrophobicContact CB-CG2 4.01Å; Q6-T129 HydrophobicContact CG-CG2 3.88Å
7S74.8Confident82.3Confident6 Ų674.7 Ų74.74%0.04237%0.373CS..PPolyproline II helixtrans-74.2155.6174.775.90000110.2Y5 Q128Y5-S7 VanDerWaalsContact CE1-N 3.25Å; S7-Q128 PolarHBondContact N-O 3.35Å; S7-Q128 WeakPolarHBondContact OG-CB 3.35Å; S7-Q128 PolarHBondContact OG-N 2.99Å; S7-Q128 PolarHBondContact OG-O 3.16Å
8P78.8Confident83Confident99 Ų9971.4 Ų71.464%0.64336%0.357SS*.PPolyproline II helixtrans-53143.3158.9-22.333.7000110.3R10P8-R10 PolarHBondContact O-N 3.41Å
9V84.6Confident83.6Confident77 Ų7767.7 Ų67.747%0.46734%0.338SS..PPolyproline II helixtrans-62.9131.9173.9-174.10000108.7C125 E127V9-C125 HydrophobicContact CG1-CB 4.33Å; V9-E127 HydrophobicContact CG1-CG 4.03Å; V9-E127 HydrophobicContact CG2-CG 4.1Å
10R86Confident84.2Confident41 Ų4165.1 Ų65.116%0.15533%0.325CS..EExtended strand (participates in β ladder)trans-105.9146.5178.4-73.5165.3154.3-167.3-12.4109.9P8 C125 F126 I156P8-R10 PolarHBondContact O-N 3.41Å; R10-C125 CarbonylContact O-C 3.55Å; R10-C125 VanDerWaalsContact O-CA 3.29Å; R10-C125 WeakPolarHBondContact O-CA 3.4Å; R10-F126 HydrophobicContact CB-CB 4.24Å; R10-F126 HydrophobicContact CB-CD1 4.28Å; R10-F126 PolarHBondContact N-O 3.04Å; R10-F126 PolarHBondContact O-N 3.29Å; R10-I156 VanDerWaalsContact CZ-CG2 3.49Å; R10-I156 PolarHBondContact NH1-O 3.03Å; R10-I156 VanDerWaalsContact NH2-C 3.34Å; R10-I156 PolarHBondContact NH2-O 3.46Å
11V90.1Very high84.6Confident62 Ų6263.2 Ų63.238%0.37632%0.32SS..EExtended strand (participates in β ladder)trans-123.6113.5177.9-1740000109.1W123 T124V11-W123 HydrophobicContact CG1-CB 3.94Å; V11-W123 HydrophobicContact CG1-CD2 4.15Å; V11-W123 HydrophobicContact CG1-CE3 3.8Å; V11-W123 HydrophobicContact CG1-CG 4.26Å; V11-T124 WeakPolarHBondContact CA-O 3.47Å
12Y91.6Very high86.5Confident7 Ų757 Ų573%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-83.9127.4165.8-61.8-84.6000108.1H14 V19 Y114 W123 T124 F126 K160 I163Y12-H14 PolarHBondContact O-N 3.01Å; Y12-V19 HydrophobicContact CD2-CG1 4.43Å; Y12-Y114 HydrophobicContact CD2-CE1 4.43Å; Y12-Y114 HydrophobicContact CE2-CD1 4.41Å; Y12-Y114 AromaticContact CE2-CE1 3.8Å; Y12-Y114 HydrophobicContact CE2-CE1 3.8Å; Y12-W123 WeakPolarHBondContact O-CA 3.44Å; Y12-T124 PolarHBondContact N-O 3.26Å; Y12-T124 PolarHBondContact O-N 3.26Å; Y12-F126 HydrophobicContact CD2-CB 4.3Å; Y12-F126 HydrophobicContact CE2-CB 3.72Å; Y12-F126 HydrophobicContact CE2-CG 4.31Å; Y12-K160 HydrophobicContact CE1-CG 4.07Å; Y12-I163 HydrophobicContact CD1-CG2 4.07Å; Y12-I163 HydrophobicContact CE1-CB 3.9Å; Y12-I163 HydrophobicContact CE1-CG2 3.69Å
13K93.2Very high87.8Confident153 Ų15353 Ų5367%0.66527%0.265SS*.SBendtrans-79.638.3179.9-64.4-173.7178.4-179.50112.9W123K13-W123 VanDerWaalsContact CA-CD1 3.48Å; K13-W123 HydrophobicContact CD-CZ2 4.45Å; K13-W123 HydrophobicContact CG-CD2 4.45Å; K13-W123 HydrophobicContact CG-CZ2 4.43Å
14H93.8Very high88.9Confident72 Ų7253.4 Ų53.433%0.33327%0.267SS..SBendtrans-134.2147.5-177.7-61.3-92.7000110.3Y12 V19 G122 W123 T124 L167Y12-H14 PolarHBondContact O-N 3.01Å; H14-V19 HydrophobicContact CB-CG2 3.99Å; H14-G122 CarbonylContact C-O 3.55Å; H14-W123 CarbonylContact O-C 3.59Å; H14-T124 PolarHBondContact O-N 3.31Å; H14-T124 PolarHBondContact O-OG1 2.77Å; H14-L167 HydrophobicContact CB-CD1 4.47Å; H14-L167 HydrophobicContact CB-CD2 4.36Å
15P95.1Very high89.5Confident50 Ų5048.2 Ų48.233%0.32524%0.242SC..  trans-56.2143.8174.7-27.434.2000112.9E17 L18 V19 G122P15-E17 PolarHBondContact O-N 3.04Å; P15-E17 VanDerWaalsContact O-N 3.12Å; P15-L18 PolarHBondContact O-N 2.87Å; P15-V19 PolarHBondContact O-N 3.2Å; P15-G122 WeakPolarHBondContact CD-O 3.17Å
16F95.8Very high90.2Very high7 Ų746.5 Ų46.53%0.03124%0.235CC..Hα-helixtrans-46.9-45179.9175.7-96.3000112.2L18 V19 M20 L86 R91 L93 V116 T124F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 2.95Å; F16-V19 PolarHBondContact O-N 3.44Å; F16-V19 VanDerWaalsContact O-N 3.12Å; F16-M20 HydrophobicContact CD1-CG 3.91Å; F16-M20 HydrophobicContact CD2-CE 3.89Å; F16-M20 HydrophobicContact CD2-CG 4.34Å; F16-M20 HydrophobicContact CD2-SD 4.41Å; F16-M20 HydrophobicContact CE1-CG 3.48Å; F16-M20 VanDerWaalsContact CE1-CG 3.48Å; F16-M20 HydrophobicContact CE1-SD 4.17Å; F16-M20 HydrophobicContact CE2-CE 3.59Å; F16-M20 HydrophobicContact CE2-CG 3.96Å; F16-M20 HydrophobicContact CE2-SD 3.67Å; F16-M20 HydrophobicContact CG-CG 4.31Å; F16-M20 HydrophobicContact CZ-CE 4.08Å; F16-M20 HydrophobicContact CZ-CG 3.49Å; F16-M20 VanDerWaalsContact CZ-CG 3.49Å; F16-M20 HydrophobicContact CZ-SD 3.52Å; F16-M20 VanDerWaalsContact CZ-SD 3.52Å; F16-M20 VanDerWaalsContact O-CG 3.31Å; F16-M20 WeakPolarHBondContact O-CG 3.46Å; F16-M20 PolarHBondContact O-N 3.25Å; F16-L86 HydrophobicContact CE1-CD1 4Å; F16-L86 HydrophobicContact CZ-CD1 3.78Å; F16-R91 HydrophobicContact CD1-CB 3.89Å; F16-R91 HydrophobicContact CD1-CG 4.46Å; F16-R91 WeakPolarHBondContact CD2-O 3.4Å; F16-R91 HydrophobicContact CE1-CB 4.18Å; F16-R91 VanDerWaalsContact CE2-O 3.23Å; F16-R91 WeakPolarHBondContact CE2-O 3.1Å; F16-R91 HydrophobicContact CG-CB 4.16Å; F16-L93 HydrophobicContact CE2-CB 4.47Å; F16-L93 HydrophobicContact CZ-CB 4.34Å; F16-V116 HydrophobicContact CB-CG2 4.2Å; F16-T124 WeakPolarHBondContact CA-OG1 3.32Å; F16-T124 HydrophobicContact CD2-CG2 4.11Å; F16-T124 PolarHBondContact N-OG1 3.25Å; F16-T124 VanDerWaalsContact N-OG1 3.08Å
17E95.3Very high90.7Very high25 Ų2541.5 Ų41.512%0.11721%0.212CC..Hα-helixtrans-60.4-38.7-176.7-63.469.7-157.100112.8P15 A21 R91 I178P15-E17 PolarHBondContact O-N 3.04Å; P15-E17 VanDerWaalsContact O-N 3.12Å; E17-A21 PolarHBondContact O-N 3.21Å; E17-R91 IonicContact OE1-CZ 3.61Å; E17-R91 IonicContact OE1-NE 2.68Å; E17-R91 PolarHBondContact OE1-NE 2.85Å; E17-R91 IonicContact OE1-NH2 2.66Å; E17-R91 PolarHBondContact OE1-NH2 3.43Å; E17-R91 IonicContact OE2-CZ 3.31Å; E17-R91 IonicContact OE2-NE 2.88Å; E17-R91 IonicContact OE2-NH2 3.26Å; E17-R91 PolarHBondContact OE2-NH2 3.06Å; E17-I178 HydrophobicContact CB-CB 3.92Å; E17-I178 HydrophobicContact CB-CG2 3.97Å
18L94.1Very high91.2Very high16 Ų1644.6 Ų44.68%0.08423%0.232CC..Hα-helixtrans-73.7-39.4174.6-70.2178.7000111.9P15 F16 M20 A21 A22 L167 V175 I178P15-L18 PolarHBondContact O-N 2.87Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 2.95Å; L18-M20 VanDerWaalsContact C-N 3.27Å; L18-M20 PolarHBondContact O-N 3.09Å; L18-A21 PolarHBondContact O-N 3.26Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.09Å; L18-L167 HydrophobicContact CB-CD2 4.06Å; L18-V175 HydrophobicContact CD2-CG1 4.4Å; L18-V175 WeakPolarHBondContact CD2-O 3.41Å; L18-I178 HydrophobicContact CD2-CD1 3.96Å; L18-I178 HydrophobicContact CD2-CG1 3.9Å
19V94.7Very high91.6Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-63.4-36.3177-178.80000110.7Y12 H14 P15 F16 A22 Y23 Y114 T124 I163Y12-V19 HydrophobicContact CD2-CG1 4.43Å; H14-V19 HydrophobicContact CB-CG2 3.99Å; P15-V19 PolarHBondContact O-N 3.2Å; F16-V19 PolarHBondContact O-N 3.44Å; F16-V19 VanDerWaalsContact O-N 3.12Å; V19-A22 PolarHBondContact O-N 3.32Å; V19-Y23 VanDerWaalsContact O-CB 3.27Å; V19-Y23 WeakPolarHBondContact O-CB 3.36Å; V19-Y23 PolarHBondContact O-N 3.36Å; V19-Y114 HydrophobicContact CG1-CD1 3.87Å; V19-Y114 HydrophobicContact CG1-CE1 3.85Å; V19-T124 HydrophobicContact CB-CG2 4.26Å; V19-T124 HydrophobicContact CG1-CG2 4.2Å; V19-T124 HydrophobicContact CG2-CG2 4.31Å; V19-I163 HydrophobicContact CG1-CG2 4.2Å
20M95.6Very high91.6Very high16 Ų1640 Ų408%0.07920%0.202CC..Hα-helixtrans-67.8-40.6175.7-65-49.898.300112F16 L18 Y23 E24 L86 L93 Y114F16-M20 HydrophobicContact CD1-CG 3.91Å; F16-M20 HydrophobicContact CD2-CE 3.89Å; F16-M20 HydrophobicContact CD2-CG 4.34Å; F16-M20 HydrophobicContact CD2-SD 4.41Å; F16-M20 HydrophobicContact CE1-CG 3.48Å; F16-M20 VanDerWaalsContact CE1-CG 3.48Å; F16-M20 HydrophobicContact CE1-SD 4.17Å; F16-M20 HydrophobicContact CE2-CE 3.59Å; F16-M20 HydrophobicContact CE2-CG 3.96Å; F16-M20 HydrophobicContact CE2-SD 3.67Å; F16-M20 HydrophobicContact CG-CG 4.31Å; F16-M20 HydrophobicContact CZ-CE 4.08Å; F16-M20 HydrophobicContact CZ-CG 3.49Å; F16-M20 VanDerWaalsContact CZ-CG 3.49Å; F16-M20 HydrophobicContact CZ-SD 3.52Å; F16-M20 VanDerWaalsContact CZ-SD 3.52Å; F16-M20 VanDerWaalsContact O-CG 3.31Å; F16-M20 WeakPolarHBondContact O-CG 3.46Å; F16-M20 PolarHBondContact O-N 3.25Å; L18-M20 VanDerWaalsContact C-N 3.27Å; L18-M20 PolarHBondContact O-N 3.09Å; M20-Y23 WeakPolarHBondContact O-CB 3.41Å; M20-Y23 PolarHBondContact O-N 2.95Å; M20-E24 PolarHBondContact O-N 3.23Å; M20-L86 HydrophobicContact CG-CD1 3.92Å; M20-L86 HydrophobicContact SD-CD1 3.95Å; M20-L93 HydrophobicContact CE-CB 4.39Å; M20-L93 HydrophobicContact CE-CD2 4.26Å; M20-L93 HydrophobicContact SD-CB 3.51Å; M20-L93 VanDerWaalsContact SD-CB 3.51Å; M20-L93 HydrophobicContact SD-CD2 3.42Å; M20-L93 WeakPolarHBondContact SD-CD2 3.45Å; M20-L93 HydrophobicContact SD-CG 4.07Å; M20-Y114 HydrophobicContact CE-CD1 3.93Å; M20-Y114 HydrophobicContact CE-CD2 4.29Å; M20-Y114 HydrophobicContact CE-CG 3.7Å
21A93.1Very high91.4Very high26 Ų2644.1 Ų44.122%0.21522%0.223CC..Hα-helixtrans-65.9-40.1174.800000112.6E17 L18 Y23 R25 L170 I178E17-A21 PolarHBondContact O-N 3.21Å; L18-A21 PolarHBondContact O-N 3.26Å; A21-Y23 VanDerWaalsContact C-N 3.28Å; A21-Y23 PolarHBondContact O-N 3.48Å; A21-R25 WeakPolarHBondContact O-CG 3.49Å; A21-R25 PolarHBondContact O-N 3.16Å; A21-L170 HydrophobicContact CB-CD1 4.01Å; A21-I178 HydrophobicContact CB-CD1 3.37Å
22A93.1Very high91Very high0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-65.4-32.8174.100000112.2L18 V19 I163 Y166 L167 L170L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.09Å; V19-A22 PolarHBondContact O-N 3.32Å; A22-I163 HydrophobicContact CB-CG2 4.45Å; A22-Y166 WeakPolarHBondContact O-CB 3.43Å; A22-L167 HydrophobicContact CB-CD2 3.87Å; A22-L167 HydrophobicContact CB-CG 3.77Å; A22-L170 HydrophobicContact CB-CD1 3.86Å
23Y93.2Very high90.2Very high2 Ų245.6 Ų45.61%0.00823%0.228CC..Hα-helixtrans-69.9-45.5176.9172.5-92.4000112.5V19 M20 A21 R25 R26 F27 Q82 N84 L93 I95 Y114 I163V19-Y23 VanDerWaalsContact O-CB 3.27Å; V19-Y23 WeakPolarHBondContact O-CB 3.36Å; V19-Y23 PolarHBondContact O-N 3.36Å; M20-Y23 WeakPolarHBondContact O-CB 3.41Å; M20-Y23 PolarHBondContact O-N 2.95Å; A21-Y23 VanDerWaalsContact C-N 3.28Å; A21-Y23 PolarHBondContact O-N 3.48Å; Y23-R25 PolarHBondContact O-N 3.16Å; Y23-R26 WeakPolarHBondContact O-CB 3.3Å; Y23-R26 WeakPolarHBondContact O-CG 3.35Å; Y23-R26 PolarHBondContact O-N 3.19Å; Y23-F27 AromaticContact CE1-CE2 3.89Å; Y23-F27 HydrophobicContact CE1-CE2 3.89Å; Y23-F27 AromaticContact CZ-CE2 3.98Å; Y23-Q82 PolarHBondContact OH-NE2 2.99Å; Y23-N84 WeakPolarHBondContact CE1-ND2 3.44Å; Y23-N84 PolarHBondContact OH-ND2 2.8Å; Y23-N84 PolarHBondContact OH-OD1 2.83Å; Y23-L93 HydrophobicContact CD1-CD2 3.81Å; Y23-L93 HydrophobicContact CE1-CD2 3.76Å; Y23-L93 HydrophobicContact CG-CD2 4.27Å; Y23-I95 HydrophobicContact CE2-CD1 3.69Å; Y23-I95 VanDerWaalsContact OH-CD1 3.23Å; Y23-I95 WeakPolarHBondContact OH-CD1 3.41Å; Y23-Y114 HydrophobicContact CD2-CE2 4.16Å; Y23-Y114 HydrophobicContact CE2-CE2 4.32Å; Y23-I163 HydrophobicContact CD2-CD1 4.31Å
24E91.9Very high88.9Confident66 Ų6644 Ų4431%0.30823%0.234SC..Hα-helixtrans-66.7-23.4-179.4-71.4-61.4140.700113.1M20 R26 F27 R57M20-E24 PolarHBondContact O-N 3.23Å; E24-R26 PolarHBondContact O-N 3.37Å; E24-F27 PolarHBondContact O-N 2.88Å; E24-F27 VanDerWaalsContact O-N 3.12Å; E24-R57 IonicContact OE1-NH1 3.56Å; E24-R57 IonicContact OE2-CZ 3.99Å; E24-R57 IonicContact OE2-NH1 2.69Å; E24-R57 PolarHBondContact OE2-NH1 2.87Å; E24-R57 IonicContact OE2-NH2 3.71Å; E24-R57 PolarHBondContact OE2-NH2 3.45Å
25R91.3Very high87.8Confident68 Ų6844.8 Ų44.826%0.25724%0.238SC..THydrogen-bonded Turntrans-57.6-14.4172-66.1-124.4173.8172-5.7114.9A21 Y23 F27 Y166 E169 L170 E173A21-R25 WeakPolarHBondContact O-CG 3.49Å; A21-R25 PolarHBondContact O-N 3.16Å; Y23-R25 PolarHBondContact O-N 3.16Å; R25-F27 VanDerWaalsContact C-N 3.25Å; R25-F27 PolarHBondContact O-N 3.31Å; R25-Y166 HydrophobicContact CB-CD1 3.64Å; R25-Y166 HydrophobicContact CB-CD2 4.06Å; R25-Y166 HydrophobicContact CB-CE1 3.96Å; R25-Y166 HydrophobicContact CB-CE2 4.33Å; R25-Y166 HydrophobicContact CB-CG 3.71Å; R25-Y166 HydrophobicContact CG-CD1 4.26Å; R25-Y166 HydrophobicContact CG-CG 4.39Å; R25-E169 WeakPolarHBondContact CD-OE1 3.34Å; R25-E169 IonicContact CZ-OE1 2.72Å; R25-E169 IonicContact NE-OE1 3.7Å; R25-E169 IonicContact NH1-OE1 3.36Å; R25-E169 PolarHBondContact NH1-OE1 3.22Å; R25-L170 VanDerWaalsContact NH2-CD2 3.33Å; R25-E173 IonicContact CZ-OE1 3.7Å; R25-E173 IonicContact CZ-OE2 3.21Å; R25-E173 IonicContact NH1-OE1 2.69Å; R25-E173 PolarHBondContact NH1-OE1 3.44Å; R25-E173 IonicContact NH1-OE2 3.29Å; R25-E173 IonicContact NH2-OE1 3.27Å; R25-E173 PolarHBondContact NH2-OE1 2.82Å; R25-E173 IonicContact NH2-OE2 2.75Å; R25-E173 PolarHBondContact NH2-OE2 2.65Å
26R89.8Confident87Confident52 Ų5243 Ų4320%0.19623%0.226CC..THydrogen-bonded Turntrans-75.4-10.2177.4-64.6175.256.7-168.8-6.8113.9Y23 E24 T29 C30 F36 I162 Y166Y23-R26 WeakPolarHBondContact O-CB 3.3Å; Y23-R26 WeakPolarHBondContact O-CG 3.35Å; Y23-R26 PolarHBondContact O-N 3.19Å; E24-R26 PolarHBondContact O-N 3.37Å; R26-T29 CarbonylContact O-C 3.54Å; R26-C30 HydrophobicContact CB-CB 4.47Å; R26-C30 WeakPolarHBondContact O-CB 3.4Å; R26-F36 WeakPolarHBondContact O-CE1 3.36Å; R26-I162 HydrophobicContact CG-CG2 4.1Å; R26-Y166 HydrophobicContact CG-CD2 4.19Å; R26-Y166 HydrophobicContact CG-CE2 3.85Å
27F90.1Very high86.4Confident27 Ų2745.3 Ų45.312%0.11824%0.24CC..SBendtrans-117.7149.7-173.3-59.2-74.9000111.5Y23 E24 R25 T29 F36 S39Y23-F27 AromaticContact CE1-CE2 3.89Å; Y23-F27 HydrophobicContact CE1-CE2 3.89Å; Y23-F27 AromaticContact CZ-CE2 3.98Å; E24-F27 PolarHBondContact O-N 2.88Å; E24-F27 VanDerWaalsContact O-N 3.12Å; R25-F27 VanDerWaalsContact C-N 3.25Å; R25-F27 PolarHBondContact O-N 3.31Å; F27-T29 VanDerWaalsContact C-N 3.31Å; F27-F36 HydrophobicContact CD1-CE1 4.33Å; F27-F36 AromaticContact CD1-CZ 3.8Å; F27-F36 HydrophobicContact CD1-CZ 3.8Å; F27-F36 AromaticContact CE1-CZ 3.85Å; F27-F36 HydrophobicContact CE1-CZ 3.85Å; F27-S39 WeakPolarHBondContact CD1-OG 3.29Å
28P85Confident86Confident71 Ų7146.4 Ų46.446%0.46125%0.247SC..SBendcis-77.3-10.9-232.4-35.5000113.7F36 N38 S39P28-F36 VanDerWaalsContact O-CE1 3.29Å; P28-F36 WeakPolarHBondContact O-CE1 3.22Å; P28-N38 CarbonylContact O-C 3.5Å; P28-N38 VanDerWaalsContact O-C 3.29Å; P28-N38 WeakPolarHBondContact O-CA 3.45Å; P28-S39 WeakPolarHBondContact CA-OG 3.45Å; P28-S39 PolarHBondContact O-N 3.02Å
29T87Confident85.9Confident77 Ų7746 Ų4647%0.47225%0.245SC..  trans-135.2148.7-178.263.80000110.5R26 F27 V37R26-T29 CarbonylContact O-C 3.54Å; F27-T29 VanDerWaalsContact C-N 3.31Å; T29-V37 VanDerWaalsContact CG2-O 3.25Å; T29-V37 WeakPolarHBondContact CG2-O 3.46Å
30C84.4Confident85.7Confident3 Ų350 Ų502%0.0227%0.267CS..  trans-130.9104.9179.8-173.10000110.3R26 L32 I33 F36 Y166R26-C30 HydrophobicContact CB-CB 4.47Å; R26-C30 WeakPolarHBondContact O-CB 3.4Å; C30-L32 PolarHBondContact O-N 3.21Å; C30-L32 VanDerWaalsContact O-N 3.13Å; C30-I33 HydrophobicContact CB-CB 4.36Å; C30-I33 HydrophobicContact CB-CD1 4.22Å; C30-I33 HydrophobicContact CB-CG1 4.3Å; C30-I33 CarbonylContact O-C 3.39Å; C30-I33 WeakPolarHBondContact O-CA 3.38Å; C30-I33 PolarHBondContact O-N 3.05Å; C30-I33 VanDerWaalsContact O-O 3.09Å; C30-F36 HydrophobicContact CB-CD1 3.88Å; C30-F36 HydrophobicContact CB-CE1 4.4Å; C30-Y166 PolarHBondContact SG-OH 3.04Å; C30-Y166 VanDerWaalsContact SG-OH 3.39Å
31H82.1Confident85.7Confident126 Ų12652.9 Ų52.958%0.58329%0.285SS*.THydrogen-bonded Turntrans-61.1-24.1-177.668.4-86.6000113.8I33 F165H31-I33 VanDerWaalsContact C-N 3.27Å; H31-I33 PolarHBondContact O-N 3.42Å; H31-F165 AromaticContact CE1-CE1 3.85Å; H31-F165 AromaticContact NE2-CE1 3.88Å; H31-F165 AromaticContact NE2-CZ 3.84Å
32L80.7Confident85.7Confident62 Ų6255.8 Ų55.833%0.32530%0.3SS..THydrogen-bonded Turntrans-76.6-9.2173.4-59.4179.4000114.1C30 I162 F165 Y166C30-L32 PolarHBondContact O-N 3.21Å; C30-L32 VanDerWaalsContact O-N 3.13Å; L32-I162 HydrophobicContact CB-CD1 4.48Å; L32-I162 HydrophobicContact CB-CG1 3.94Å; L32-I162 HydrophobicContact CD1-CB 4.38Å; L32-I162 HydrophobicContact CD1-CG1 4.07Å; L32-I162 HydrophobicContact CD1-CG2 4.31Å; L32-F165 HydrophobicContact CD1-CB 3.8Å; L32-F165 HydrophobicContact CD1-CD1 3.53Å; L32-F165 HydrophobicContact CD1-CD2 4.23Å; L32-F165 HydrophobicContact CD1-CE1 4.1Å; L32-F165 HydrophobicContact CD1-CG 3.6Å; L32-Y166 HydrophobicContact CD1-CE2 4.5Å
33I75.4Confident85.6Confident39 Ų3959 Ų5920%0.232%0.317CS..SBendtrans-121.382.4172-50171000107C30 H31 M35 F36 I162C30-I33 HydrophobicContact CB-CB 4.36Å; C30-I33 HydrophobicContact CB-CD1 4.22Å; C30-I33 HydrophobicContact CB-CG1 4.3Å; C30-I33 CarbonylContact O-C 3.39Å; C30-I33 WeakPolarHBondContact O-CA 3.38Å; C30-I33 PolarHBondContact O-N 3.05Å; C30-I33 VanDerWaalsContact O-O 3.09Å; H31-I33 VanDerWaalsContact C-N 3.27Å; H31-I33 PolarHBondContact O-N 3.42Å; I33-M35 PolarHBondContact O-N 2.93Å; I33-F36 HydrophobicContact CB-CB 3.86Å; I33-F36 HydrophobicContact CG2-CB 3.65Å; I33-F36 WeakPolarHBondContact O-CB 3.42Å; I33-F36 PolarHBondContact O-N 2.82Å; I33-I162 HydrophobicContact CD1-CD1 3.85Å; I33-I162 HydrophobicContact CG1-CD1 3.5Å; I33-I162 VanDerWaalsContact CG1-CD1 3.5Å
34P66Low85.7Confident119 Ų11964.4 Ų64.477%0.77334%0.342SS*.THydrogen-bonded Turntrans-58.8-23.4-172.6-28.236.5000115.3
35M70.2Confident85.8Confident88 Ų8866 Ų6643%0.43335%0.35SS..THydrogen-bonded Turntrans-77.4-16.2173.9-61.3-171.4-51.900113.3I33 V37 L61 D62I33-M35 PolarHBondContact O-N 2.93Å; M35-V37 PolarHBondContact O-N 2.92Å; M35-L61 CarbonylContact O-C 3.58Å; M35-L61 WeakPolarHBondContact O-CA 3.33Å; M35-D62 WeakPolarHBondContact CB-O 3.3Å; M35-D62 WeakPolarHBondContact CG-O 3.35Å; M35-D62 PolarHBondContact O-N 3.02Å
36F79.1Confident85.9Confident13 Ų1366.7 Ų66.76%0.05736%0.362CS..EExtended strand (participates in β ladder)trans-88.695.9-177.7-179.9-102.2000110.2R26 F27 P28 C30 I33 C59 L61 F80R26-F36 WeakPolarHBondContact O-CE1 3.36Å; F27-F36 HydrophobicContact CD1-CE1 4.33Å; F27-F36 AromaticContact CD1-CZ 3.8Å; F27-F36 HydrophobicContact CD1-CZ 3.8Å; F27-F36 AromaticContact CE1-CZ 3.85Å; F27-F36 HydrophobicContact CE1-CZ 3.85Å; P28-F36 VanDerWaalsContact O-CE1 3.29Å; P28-F36 WeakPolarHBondContact O-CE1 3.22Å; C30-F36 HydrophobicContact CB-CD1 3.88Å; C30-F36 HydrophobicContact CB-CE1 4.4Å; I33-F36 HydrophobicContact CB-CB 3.86Å; I33-F36 HydrophobicContact CG2-CB 3.65Å; I33-F36 WeakPolarHBondContact O-CB 3.42Å; I33-F36 PolarHBondContact O-N 2.82Å; F36-C59 HydrophobicContact CE2-CB 3.86Å; F36-L61 HydrophobicContact CB-CD2 4.2Å; F36-L61 HydrophobicContact CD2-CD2 4.11Å; F36-F80 HydrophobicContact CD2-CE1 4.38Å; F36-F80 HydrophobicContact CD2-CZ 4.27Å; F36-F80 HydrophobicContact CE2-CE1 4.43Å; F36-F80 HydrophobicContact CE2-CZ 4.03Å
37V81.7Confident86Confident55 Ų5566.2 Ų66.233%0.33337%0.367SS..EExtended strand (participates in β ladder)trans-78.9-44.8-167.4-176.20000111.9T29 M35 A60 D62 Y77T29-V37 VanDerWaalsContact CG2-O 3.25Å; T29-V37 WeakPolarHBondContact CG2-O 3.46Å; M35-V37 PolarHBondContact O-N 2.92Å; V37-A60 HydrophobicContact CB-CB 4.41Å; V37-A60 PolarHBondContact N-O 3.08Å; V37-D62 HydrophobicContact CG2-CB 3.52Å; V37-Y77 HydrophobicContact CB-CE1 4.48Å; V37-Y77 HydrophobicContact CG1-CE1 4.2Å; V37-Y77 HydrophobicContact CG2-CD1 4.05Å; V37-Y77 HydrophobicContact CG2-CE1 3.87Å
38N87.8Confident85.7Confident48 Ų4875.2 Ų75.226%0.25741%0.409SS..EExtended strand (participates in β ladder)trans-164.8161.3-173.7-171.532.8000111.1P28 D40 C59 A60P28-N38 CarbonylContact O-C 3.5Å; P28-N38 VanDerWaalsContact O-C 3.29Å; P28-N38 WeakPolarHBondContact O-CA 3.45Å; N38-D40 VanDerWaalsContact ND2-CG 3.3Å; N38-D40 PolarHBondContact ND2-OD1 3.09Å; N38-D40 PolarHBondContact ND2-OD2 3.02Å; N38-C59 WeakPolarHBondContact O-CA 3.49Å; N38-A60 PolarHBondContact O-N 3.15Å
39S91.1Very high85.8Confident8 Ų875.5 Ų75.56%0.05641%0.407CS..EExtended strand (participates in β ladder)trans-134.9120.316270.70000110.8F27 P28 C59F27-S39 WeakPolarHBondContact CD1-OG 3.29Å; P28-S39 WeakPolarHBondContact CA-OG 3.45Å; P28-S39 PolarHBondContact O-N 3.02Å; S39-C59 VanDerWaalsContact CB-SG 3.51Å
40D92.2Very high85.7Confident84 Ų8472.9 Ų72.945%0.44940%0.395SS..EExtended strand (participates in β ladder)trans-93.9132.4174.7-59.9-50.8000109.5N38 V42 R57 R58N38-D40 VanDerWaalsContact ND2-CG 3.3Å; N38-D40 PolarHBondContact ND2-OD1 3.09Å; N38-D40 PolarHBondContact ND2-OD2 3.02Å; D40-V42 PolarHBondContact O-N 2.72Å; D40-R57 CarbonylContact O-C 3.52Å; D40-R57 VanDerWaalsContact O-CA 3.27Å; D40-R57 WeakPolarHBondContact O-CA 3.38Å; D40-R58 PolarHBondContact N-O 2.79Å; D40-R58 PolarHBondContact O-N 2.94Å
41V94.4Very high85.9Confident77 Ų7772.9 Ų72.947%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-75.2121.7175.7-177.90000108.9E44 I55 R57V41-E44 HydrophobicContact CG1-CB 4.04Å; V41-I55 HydrophobicContact CG1-CD1 4.03Å; V41-I55 HydrophobicContact CG1-CG1 3.91Å; V41-I55 HydrophobicContact CG2-CD1 3.93Å; V41-I55 HydrophobicContact CG2-CG1 4.4Å; V41-R57 HydrophobicContact CG2-CG 4.38Å
42V92.4Very high86.4Confident86 Ų8668.5 Ų68.552%0.52138%0.378SS..EExtended strand (participates in β ladder)trans-93.2-42.2-179.9-176.50000110.8D40 E56 R58D40-V42 PolarHBondContact O-N 2.72Å; V42-E56 HydrophobicContact CB-CG 4.49Å; V42-E56 PolarHBondContact N-O 2.86Å; V42-R58 HydrophobicContact CG2-CB 3.52Å
43N92.8Very high87.1Confident69 Ų6967.3 Ų67.337%0.36937%0.37SS..EExtended strand (participates in β ladder)trans-147.1145.6177.3-172.326.8000110E45 E56N43-E45 PolarHBondContact ND2-OE1 2.8Å; N43-E56 HydrophobicContact CB-CB 4.19Å; N43-E56 PolarHBondContact N-O 3.36Å; N43-E56 PolarHBondContact O-N 3.42Å
44E95.3Very high88Confident114 Ų11471.3 Ų71.353%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-146.2121.4179.9-168.5178.8155.600109.9V41 H53 R54 I55V41-E44 HydrophobicContact CG1-CB 4.04Å; E44-H53 IonicContact OE1-CE1 3.83Å; E44-H53 PolarHBondContact OE1-CE1 3.48Å; E44-H53 VanDerWaalsContact OE1-CE1 3.31Å; E44-R54 CarbonylContact C-O 3.47Å; E44-R54 WeakPolarHBondContact CA-O 3.45Å; E44-I55 HydrophobicContact CG-CB 4.42Å; E44-I55 HydrophobicContact CG-CD1 4.13Å; E44-I55 HydrophobicContact CG-CG1 4.29Å
45E94Very high89.4Confident99 Ų9966 Ų6646%0.46335%0.348SS..EExtended strand (participates in β ladder)trans-132.5138.5-175.5-67.7170-161.400109.5N43 R54N43-E45 PolarHBondContact ND2-OE1 2.8Å; E45-R54 HydrophobicContact CB-CB 4.3Å; E45-R54 PolarHBondContact N-O 3.47Å; E45-R54 PolarHBondContact O-N 2.8Å
46T92.9Very high90.6Very high84 Ų8464.6 Ų64.652%0.51534%0.34SS..EExtended strand (participates in β ladder)trans-129.6137.1173-57.30000108.8T52 H53T46-T52 WeakPolarHBondContact CA-O 3.27Å; T46-H53 PolarHBondContact OG1-ND1 2.9Å
47S90.5Very high91.4Very high42 Ų4264.8 Ų64.829%0.29434%0.34SS..  trans-65.5154.7178.257.60000111.7D49 G50 A51 T52S47-D49 VanDerWaalsContact CB-OD1 3.31Å; S47-D49 WeakPolarHBondContact CB-OD1 3.33Å; S47-D49 PolarHBondContact O-N 3.5Å; S47-D49 VanDerWaalsContact O-N 3.14Å; S47-D49 PolarHBondContact OG-OD1 3.14Å; S47-G50 WeakPolarHBondContact O-CA 3.2Å; S47-G50 PolarHBondContact O-N 2.92Å; S47-A51 PolarHBondContact OG-N 3.4Å; S47-T52 PolarHBondContact N-O 3.47Å; S47-T52 PolarHBondContact OG-N 2.9Å; S47-T52 PolarHBondContact OG-O 2.77Å
48E85.1Confident91.9Very high215 Ų21565.8 Ų65.8100%1.00534%0.338SS*.THydrogen-bonded Turntrans-58.7-28.4-177.6-61.4-178.2167.600113.5
49D86.1Confident92Very high77 Ų7763.5 Ų63.541%0.41233%0.326SS..THydrogen-bonded Turntrans-85.2-5.7174.867.8-8.1000113.9S47 A51 W181S47-D49 VanDerWaalsContact CB-OD1 3.31Å; S47-D49 WeakPolarHBondContact CB-OD1 3.33Å; S47-D49 PolarHBondContact O-N 3.5Å; S47-D49 VanDerWaalsContact O-N 3.14Å; S47-D49 PolarHBondContact OG-OD1 3.14Å; D49-A51 PolarHBondContact O-N 2.83Å; D49-A51 VanDerWaalsContact OD1-CB 3.3Å; D49-A51 WeakPolarHBondContact OD1-CB 3.48Å; D49-A51 PolarHBondContact OD1-N 3.42Å; D49-A51 WeakPolarHBondContact OD2-CB 3.27Å; D49-W181 HydrophobicContact CB-CZ2 4.45Å; D49-W181 WeakPolarHBondContact O-CZ2 3.3Å
50G85.9Confident91.6Very high23 Ų2363.5 Ų63.524%0.23733%0.326CS..SBendtrans67.511-175.400000114.9S47 W181S47-G50 WeakPolarHBondContact O-CA 3.2Å; S47-G50 PolarHBondContact O-N 2.92Å; G50-W181 PolarHBondContact O-NE1 3.4Å
51A88.3Confident90.8Very high2 Ų261.5 Ų61.52%0.01732%0.316CS..  trans-78-36.4-178.700000112.8S47 D49 R88 K89 W181S47-A51 PolarHBondContact OG-N 3.4Å; D49-A51 PolarHBondContact O-N 2.83Å; D49-A51 VanDerWaalsContact OD1-CB 3.3Å; D49-A51 WeakPolarHBondContact OD1-CB 3.48Å; D49-A51 PolarHBondContact OD1-N 3.42Å; D49-A51 WeakPolarHBondContact OD2-CB 3.27Å; A51-R88 WeakPolarHBondContact O-CB 3.35Å; A51-R88 PolarHBondContact O-N 2.64Å; A51-K89 HydrophobicContact CB-CB 4.12Å; A51-W181 HydrophobicContact CB-CD2 4.35Å; A51-W181 HydrophobicContact CB-CH2 3.87Å; A51-W181 HydrophobicContact CB-CZ2 3.63Å; A51-W181 HydrophobicContact CB-CZ3 4.34Å
52T92.6Very high89.5Confident35 Ų3560.4 Ų60.422%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-115130.7-177.3-550000110.2T46 S47 R54 T85 L86T46-T52 WeakPolarHBondContact CA-O 3.27Å; S47-T52 PolarHBondContact N-O 3.47Å; S47-T52 PolarHBondContact OG-N 2.9Å; S47-T52 PolarHBondContact OG-O 2.77Å; T52-R54 HydrophobicContact CG2-CG 4.39Å; T52-T85 HydrophobicContact CG2-CG2 4.12Å; T52-L86 CarbonylContact C-O 3.6Å; T52-L86 WeakPolarHBondContact CA-O 3.44Å
53H94.6Very high88Confident36 Ų3659.5 Ų59.517%0.16730%0.301CS..EExtended strand (participates in β ladder)trans-125.2126.3176.1179.569.2000109.4E44 T46 L86E44-H53 IonicContact OE1-CE1 3.83Å; E44-H53 PolarHBondContact OE1-CE1 3.48Å; E44-H53 VanDerWaalsContact OE1-CE1 3.31Å; T46-H53 PolarHBondContact OG1-ND1 2.9Å; H53-L86 HydrophobicContact CB-CB 4.47Å; H53-L86 PolarHBondContact N-O 3.15Å; H53-L86 PolarHBondContact O-N 2.92Å
54R95.1Very high85.8Confident123 Ų12360.2 Ų60.246%0.46431%0.305SS..EExtended strand (participates in β ladder)trans-119.2126.1-179.7-70.7-178.3172.8-177.2-0.9109E44 E45 T52 N84 T85E44-R54 CarbonylContact C-O 3.47Å; E44-R54 WeakPolarHBondContact CA-O 3.45Å; E45-R54 HydrophobicContact CB-CB 4.3Å; E45-R54 PolarHBondContact N-O 3.47Å; E45-R54 PolarHBondContact O-N 2.8Å; T52-R54 HydrophobicContact CG2-CG 4.39Å; R54-N84 VanDerWaalsContact CA-O 3.31Å; R54-N84 WeakPolarHBondContact CA-O 3.43Å; R54-T85 HydrophobicContact CG-CG2 3.9Å
55I95.8Very high83.4Confident7 Ų755.8 Ų55.84%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-137.3124.9179.9-173.1160.5000109.9V41 E44 R57 N84V41-I55 HydrophobicContact CG1-CD1 4.03Å; V41-I55 HydrophobicContact CG1-CG1 3.91Å; V41-I55 HydrophobicContact CG2-CD1 3.93Å; V41-I55 HydrophobicContact CG2-CG1 4.4Å; E44-I55 HydrophobicContact CG-CB 4.42Å; E44-I55 HydrophobicContact CG-CD1 4.13Å; E44-I55 HydrophobicContact CG-CG1 4.29Å; I55-R57 HydrophobicContact CG1-CG 4.15Å; I55-N84 HydrophobicContact CG2-CB 3.83Å; I55-N84 PolarHBondContact N-O 3.02Å; I55-N84 PolarHBondContact O-N 2.92Å
56E95.5Very high80.9Confident59 Ų5952.8 Ų52.828%0.27628%0.277SS..EExtended strand (participates in β ladder)trans-109.5123.9178.7-173.6165.3-154.100108.7V42 N43 I81 Q82 K83V42-E56 HydrophobicContact CB-CG 4.49Å; V42-E56 PolarHBondContact N-O 2.86Å; N43-E56 HydrophobicContact CB-CB 4.19Å; N43-E56 PolarHBondContact N-O 3.36Å; N43-E56 PolarHBondContact O-N 3.42Å; E56-I81 HydrophobicContact CG-CG2 3.83Å; E56-I81 WeakPolarHBondContact OE1-CG2 3.42Å; E56-Q82 CarbonylContact C-O 3.54Å; E56-Q82 WeakPolarHBondContact CA-O 3.45Å; E56-K83 HydrophobicContact CG-CB 4.46Å
57R94.8Very high78.3Confident17 Ų1759.8 Ų59.86%0.06429%0.294CS..EExtended strand (participates in β ladder)trans-122.2134.9-173.6-62.4-178.7173123.4-13.6109.8E24 D40 V41 I55 I81 Q82 N84E24-R57 IonicContact OE1-NH1 3.56Å; E24-R57 IonicContact OE2-CZ 3.99Å; E24-R57 IonicContact OE2-NH1 2.69Å; E24-R57 PolarHBondContact OE2-NH1 2.87Å; E24-R57 IonicContact OE2-NH2 3.71Å; E24-R57 PolarHBondContact OE2-NH2 3.45Å; D40-R57 CarbonylContact O-C 3.52Å; D40-R57 VanDerWaalsContact O-CA 3.27Å; D40-R57 WeakPolarHBondContact O-CA 3.38Å; V41-R57 HydrophobicContact CG2-CG 4.38Å; I55-R57 HydrophobicContact CG1-CG 4.15Å; R57-I81 WeakPolarHBondContact O-CA 3.32Å; R57-Q82 PolarHBondContact N-O 2.75Å; R57-Q82 PolarHBondContact O-N 3.36Å; R57-N84 PolarHBondContact NH1-ND2 3.37Å
58R93.6Very high75.9Confident77 Ų7760.6 Ų60.629%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-95.7108167.8-176.8167.3-175.2-97.3-4.7107.6D40 V42 Y79 I81 E100D40-R58 PolarHBondContact N-O 2.79Å; D40-R58 PolarHBondContact O-N 2.94Å; V42-R58 HydrophobicContact CG2-CB 3.52Å; R58-Y79 HydrophobicContact CG-CD1 4.27Å; R58-I81 HydrophobicContact CB-CD1 3.83Å; R58-I81 HydrophobicContact CG-CD1 3.84Å; R58-E100 IonicContact CZ-OE1 3.5Å; R58-E100 IonicContact CZ-OE2 2.88Å; R58-E100 VanDerWaalsContact CZ-OE2 3.27Å; R58-E100 VanDerWaalsContact NE-CD 3.33Å; R58-E100 IonicContact NE-OE1 2.7Å; R58-E100 PolarHBondContact NE-OE1 3.07Å; R58-E100 IonicContact NE-OE2 3.69Å; R58-E100 PolarHBondContact NE-OE2 3.07Å; R58-E100 IonicContact NH2-OE1 3.4Å; R58-E100 IonicContact NH2-OE2 3.09Å; R58-E100 PolarHBondContact NH2-OE2 2.99Å
59C88.3Confident73.8Confident0 Ų051.3 Ų51.30%025%0.252CS..EExtended strand (participates in β ladder)trans-100.5135.4-172-66.90000110.6F36 N38 S39 Y79 F80F36-C59 HydrophobicContact CE2-CB 3.86Å; N38-C59 WeakPolarHBondContact O-CA 3.49Å; S39-C59 VanDerWaalsContact CB-SG 3.51Å; C59-Y79 VanDerWaalsContact O-CA 3.32Å; C59-Y79 WeakPolarHBondContact O-CA 3.45Å; C59-F80 HydrophobicContact CB-CD1 3.64Å; C59-F80 HydrophobicContact CB-CD2 3.82Å; C59-F80 HydrophobicContact CB-CE1 3.24Å; C59-F80 HydrophobicContact CB-CE2 3.45Å; C59-F80 VanDerWaalsContact CB-CE2 3.45Å; C59-F80 HydrophobicContact CB-CG 3.93Å; C59-F80 HydrophobicContact CB-CZ 3.15Å; C59-F80 PolarHBondContact N-O 3.45Å; C59-F80 PolarHBondContact O-N 2.91Å
60A84.3Confident72Confident7 Ų749.2 Ų49.26%0.05824%0.239CC..EExtended strand (participates in β ladder)trans-105.9125.2-178.800000111.2V37 N38 Y79V37-A60 HydrophobicContact CB-CB 4.41Å; V37-A60 PolarHBondContact N-O 3.08Å; N38-A60 PolarHBondContact O-N 3.15Å; A60-Y79 HydrophobicContact CB-CD1 4.07Å; A60-Y79 HydrophobicContact CB-CE1 3.81Å
61L74.8Confident69.9Low43 Ų4358.5 Ų58.523%0.22527%0.267CS..EExtended strand (participates in β ladder)trans-105125.9170.8-61.5176.1000110.7M35 F36 V63 Y77 V78 F80M35-L61 CarbonylContact O-C 3.58Å; M35-L61 WeakPolarHBondContact O-CA 3.33Å; F36-L61 HydrophobicContact CB-CD2 4.2Å; F36-L61 HydrophobicContact CD2-CD2 4.11Å; L61-V63 PolarHBondContact O-N 3.43Å; L61-Y77 CarbonylContact O-C 3.54Å; L61-Y77 VanDerWaalsContact O-CA 3.3Å; L61-Y77 WeakPolarHBondContact O-CA 3.16Å; L61-V78 HydrophobicContact CB-CB 4.41Å; L61-V78 WeakPolarHBondContact CB-O 3.29Å; L61-V78 PolarHBondContact N-O 2.91Å; L61-V78 PolarHBondContact O-N 3.25Å; L61-F80 HydrophobicContact CD1-CD1 3.94Å; L61-F80 HydrophobicContact CD1-CE1 3.92Å; L61-F80 HydrophobicContact CD2-CE1 3.83Å; L61-F80 HydrophobicContact CG-CD1 3.94Å; L61-F80 HydrophobicContact CG-CE1 3.68Å
62D67.8Low67.4Low53 Ų5360.9 Ų60.928%0.28328%0.279SS..  trans-77.1105.2161.6-161.6-18.9000107.9M35 V37 K70 Y77M35-D62 WeakPolarHBondContact CB-O 3.3Å; M35-D62 WeakPolarHBondContact CG-O 3.35Å; M35-D62 PolarHBondContact O-N 3.02Å; V37-D62 HydrophobicContact CG2-CB 3.52Å; D62-K70 IonicContact OD1-NZ 3.93Å; D62-K70 PolarHBondContact OD1-NZ 3.32Å; D62-K70 IonicContact OD2-NZ 3.88Å; D62-Y77 HydrophobicContact CB-CD1 4.22Å; D62-Y77 HydrophobicContact CB-CE1 4.2Å
63V59.9Low64.9Low67 Ų6761.9 Ų61.941%0.40629%0.291SS..  trans-88.1114.3169.1179.60000106.5L61 A65 V78L61-V63 PolarHBondContact O-N 3.43Å; V63-A65 PolarHBondContact O-N 3.34Å; V63-V78 HydrophobicContact CB-CG2 4.37Å; V63-V78 HydrophobicContact CG2-CB 3.87Å; V63-V78 HydrophobicContact CG2-CG2 3.55Å
64D46.3Very low62.5Low85 Ų8563.3 Ų63.346%0.45532%0.315SS..  trans-70.482.4-174.6-155.6-10.6000110.6R469D64-R469 VanDerWaalsContact O-CD 3.32Å; D64-R469 WeakPolarHBondContact O-CD 3.38Å
65A44.8Very low60.4Low21 Ų2159.9 Ų59.917%0.17431%0.308CS..  trans-112.3137.7176.600000108.8V63 R67 L69V63-A65 PolarHBondContact O-N 3.34Å; A65-R67 PolarHBondContact O-N 3.34Å; A65-L69 HydrophobicContact CB-CB 4.26Å
66P42.7Very low58.5Low36 Ų3664.2 Ų64.223%0.23433%0.331CS..  trans-49141.9178.4-30.636.9000112.2L68 L69 K70 I474P66-L68 PolarHBondContact O-N 2.62Å; P66-L69 WeakPolarHBondContact O-CA 3.29Å; P66-L69 VanDerWaalsContact O-CB 3.3Å; P66-L69 WeakPolarHBondContact O-CB 3.46Å; P66-L69 PolarHBondContact O-N 2.95Å; P66-K70 PolarHBondContact O-N 2.9Å; P66-I474 HydrophobicContact CB-CD1 4.28Å; P66-I474 HydrophobicContact CG-CD1 3.73Å; P66-I474 HydrophobicContact CG-CG1 4.32Å
67R38.7Very low57.1Low231 Ų23165.4 Ų65.487%0.87233%0.334SS*.Hα-helixtrans-52.3-31.2-173.6-67.8-179.8177.4171.8-1.1114A65 R71A65-R67 PolarHBondContact O-N 3.34Å; R67-R71 WeakPolarHBondContact O-CB 3.45Å; R67-R71 PolarHBondContact O-N 3.41Å; R67-R71 VanDerWaalsContact O-N 3.14Å
68L38.3Very low55.9Low59 Ų5966 Ų6631%0.30934%0.34SS..Hα-helixtrans-63.7-38.8174.2-168.475.2000112.3P66 R71 I72 A476P66-L68 PolarHBondContact O-N 2.62Å; L68-R71 PolarHBondContact O-N 2.95Å; L68-I72 HydrophobicContact CD1-CD1 4.42Å; L68-I72 HydrophobicContact CD2-CD1 4.3Å; L68-I72 HydrophobicContact CG-CD1 3.84Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.01Å; L68-I72 PolarHBondContact O-N 2.93Å; L68-A476 HydrophobicContact CD1-CB 4.2Å; L68-A476 HydrophobicContact CD2-CB 3.54Å
69L41.1Very low55.3Low19 Ų1964.8 Ų64.810%0.09934%0.335CS..Hα-helixtrans-70.1-41.6177.2-117.4123.7000112.1A65 P66 R71 I72 A73 F453 P454 W457A65-L69 HydrophobicContact CB-CB 4.26Å; P66-L69 WeakPolarHBondContact O-CA 3.29Å; P66-L69 VanDerWaalsContact O-CB 3.3Å; P66-L69 WeakPolarHBondContact O-CB 3.46Å; P66-L69 PolarHBondContact O-N 2.95Å; L69-R71 VanDerWaalsContact C-N 3.26Å; L69-R71 PolarHBondContact O-N 2.93Å; L69-I72 PolarHBondContact O-N 3.35Å; L69-A73 VanDerWaalsContact O-CB 3.24Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.25Å; L69-F453 HydrophobicContact CD1-CE1 4.17Å; L69-P454 HydrophobicContact CG-CB 4.43Å; L69-W457 HydrophobicContact CD1-CB 4.12Å; L69-W457 HydrophobicContact CD1-CD2 4.24Å; L69-W457 HydrophobicContact CD1-CG 3.6Å; L69-W457 HydrophobicContact CD2-CG 4.45Å
70K49.6Very low55.2Low34 Ų3466.8 Ų66.815%0.14834%0.344CS..Hα-helixtrans-56.8-43.4171.5-63.5-167.8174.9-153.20111.1D62 P66 I72 G74 D76D62-K70 IonicContact OD1-NZ 3.93Å; D62-K70 PolarHBondContact OD1-NZ 3.32Å; D62-K70 IonicContact OD2-NZ 3.88Å; P66-K70 PolarHBondContact O-N 2.9Å; K70-I72 PolarHBondContact O-N 2.98Å; K70-G74 PolarHBondContact O-N 3.32Å; K70-D76 PolarHBondContact NZ-O 2.89Å
71R41.6Very low55.5Low218 Ų21867.3 Ų67.382%0.82335%0.345SS*.Hα-helixtrans-69.5-25.4177.5-164.6175.5-177-174.11.2114.9R67 L68 L69R67-R71 WeakPolarHBondContact O-CB 3.45Å; R67-R71 PolarHBondContact O-N 3.41Å; R67-R71 VanDerWaalsContact O-N 3.14Å; L68-R71 PolarHBondContact O-N 2.95Å; L69-R71 VanDerWaalsContact C-N 3.26Å; L69-R71 PolarHBondContact O-N 2.93Å
72I34.5Very low56.5Low51 Ų5165.9 Ų65.926%0.26234%0.338SS..Hα-helixtrans-93.7-38.8178.2-65.3165000112L68 L69 K70 G74 P454L68-I72 HydrophobicContact CD1-CD1 4.42Å; L68-I72 HydrophobicContact CD2-CD1 4.3Å; L68-I72 HydrophobicContact CG-CD1 3.84Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.01Å; L68-I72 PolarHBondContact O-N 2.93Å; L69-I72 PolarHBondContact O-N 3.35Å; K70-I72 PolarHBondContact O-N 2.98Å; I72-G74 VanDerWaalsContact C-N 3.29Å; I72-P454 HydrophobicContact CB-CG 4.48Å; I72-P454 HydrophobicContact CD1-CG 3.98Å; I72-P454 HydrophobicContact CG2-CB 4.5Å; I72-P454 HydrophobicContact CG2-CG 3.97Å
73A41.2Very low57.8Low57 Ų5766.9 Ų66.947%0.47134%0.34SS..Hα-helixtrans-75.1-18176.700000113L69 V75L69-A73 VanDerWaalsContact O-CB 3.24Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.25Å; A73-V75 VanDerWaalsContact C-N 3.34Å; A73-V75 PolarHBondContact O-N 3.45Å
74G43.8Very low59.5Low65 Ų6563.8 Ų63.867%0.6732%0.321SS*.THydrogen-bonded Turntrans77.315.3173.700000114.9K70 I72K70-G74 PolarHBondContact O-N 3.32Å; I72-G74 VanDerWaalsContact C-N 3.29Å
75V51.3Low61.9Low51 Ų5160.9 Ų60.931%0.30931%0.306SS..  trans-140.5125.7177.1-144.50000110A73 Y77 Y79 T101A73-V75 VanDerWaalsContact C-N 3.34Å; A73-V75 PolarHBondContact O-N 3.45Å; V75-Y77 WeakPolarHBondContact CG1-O 3.35Å; V75-Y79 HydrophobicContact CG1-CE2 4.27Å; V75-T101 HydrophobicContact CG1-CG2 4.3Å; V75-T101 HydrophobicContact CG2-CG2 4.24Å
76D54.7Low64.3Low99 Ų9961 Ų6153%0.52930%0.303SS..SBendtrans-82.5-18.6179.3-68.9-61.3000113.6K70K70-D76 PolarHBondContact NZ-O 2.89Å
77Y67.9Low66.8Low83 Ų8360.2 Ų60.233%0.32530%0.297SS..SBendtrans-139.7153.5-177.2-58.7-73.2000110.8V37 L61 D62 V75V37-Y77 HydrophobicContact CB-CE1 4.48Å; V37-Y77 HydrophobicContact CG1-CE1 4.2Å; V37-Y77 HydrophobicContact CG2-CD1 4.05Å; V37-Y77 HydrophobicContact CG2-CE1 3.87Å; L61-Y77 CarbonylContact O-C 3.54Å; L61-Y77 VanDerWaalsContact O-CA 3.3Å; L61-Y77 WeakPolarHBondContact O-CA 3.16Å; D62-Y77 HydrophobicContact CB-CD1 4.22Å; D62-Y77 HydrophobicContact CB-CE1 4.2Å; V75-Y77 WeakPolarHBondContact CG1-O 3.35Å
78V69.3Low69.3Low31 Ų3155 Ų5519%0.18828%0.278CS..EExtended strand (participates in β ladder)trans-97.6121.5167.4170.20000108.9L61 V63 T101 F102L61-V78 HydrophobicContact CB-CB 4.41Å; L61-V78 WeakPolarHBondContact CB-O 3.29Å; L61-V78 PolarHBondContact N-O 2.91Å; L61-V78 PolarHBondContact O-N 3.25Å; V63-V78 HydrophobicContact CB-CG2 4.37Å; V63-V78 HydrophobicContact CG2-CB 3.87Å; V63-V78 HydrophobicContact CG2-CG2 3.55Å; V78-T101 HydrophobicContact CG2-CG2 4.48Å; V78-F102 HydrophobicContact CG2-CD2 4.27Å; V78-F102 HydrophobicContact CG2-CE2 3.93Å
79Y80.7Confident71.8Confident50 Ų5059.1 Ų59.120%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-96138.6179.9-60.9-80.6000112R58 C59 A60 V75 E100 T101R58-Y79 HydrophobicContact CG-CD1 4.27Å; C59-Y79 VanDerWaalsContact O-CA 3.32Å; C59-Y79 WeakPolarHBondContact O-CA 3.45Å; A60-Y79 HydrophobicContact CB-CD1 4.07Å; A60-Y79 HydrophobicContact CB-CE1 3.81Å; V75-Y79 HydrophobicContact CG1-CE2 4.27Å; Y79-E100 VanDerWaalsContact CB-OE2 3.23Å; Y79-E100 WeakPolarHBondContact CB-OE2 3.44Å; Y79-E100 PolarHBondContact O-N 3.1Å; Y79-T101 WeakPolarHBondContact CB-OG1 3.4Å; Y79-T101 WeakPolarHBondContact CD2-OG1 3.35Å; Y79-T101 PolarHBondContact N-OG1 3.41Å; Y79-T101 PolarHBondContact O-N 3.38Å; Y79-T101 VanDerWaalsContact O-N 3.14Å
80F85.8Confident74.2Confident42 Ų4264.5 Ų64.518%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-129.2144.9167.668.2-85.6000110.5F36 C59 L61 Q82 H98F36-F80 HydrophobicContact CD2-CE1 4.38Å; F36-F80 HydrophobicContact CD2-CZ 4.27Å; F36-F80 HydrophobicContact CE2-CE1 4.43Å; F36-F80 HydrophobicContact CE2-CZ 4.03Å; C59-F80 HydrophobicContact CB-CD1 3.64Å; C59-F80 HydrophobicContact CB-CD2 3.82Å; C59-F80 HydrophobicContact CB-CE1 3.24Å; C59-F80 HydrophobicContact CB-CE2 3.45Å; C59-F80 VanDerWaalsContact CB-CE2 3.45Å; C59-F80 HydrophobicContact CB-CG 3.93Å; C59-F80 HydrophobicContact CB-CZ 3.15Å; C59-F80 PolarHBondContact N-O 3.45Å; C59-F80 PolarHBondContact O-N 2.91Å; L61-F80 HydrophobicContact CD1-CD1 3.94Å; L61-F80 HydrophobicContact CD1-CE1 3.92Å; L61-F80 HydrophobicContact CD2-CE1 3.83Å; L61-F80 HydrophobicContact CG-CD1 3.94Å; L61-F80 HydrophobicContact CG-CE1 3.68Å; F80-Q82 HydrophobicContact CD2-CB 4.14Å; F80-Q82 HydrophobicContact CE2-CB 3.99Å; F80-H98 CarbonylContact C-O 3.55Å; F80-H98 WeakPolarHBondContact CA-O 3.43Å; F80-H98 WeakPolarHBondContact CB-O 3.43Å
81I91.5Very high76.3Confident18 Ų1864 Ų649%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-92.1133171-57.6-57.2000107.7E56 R57 R58 S97 H98 E100E56-I81 HydrophobicContact CG-CG2 3.83Å; E56-I81 WeakPolarHBondContact OE1-CG2 3.42Å; R57-I81 WeakPolarHBondContact O-CA 3.32Å; R58-I81 HydrophobicContact CB-CD1 3.83Å; R58-I81 HydrophobicContact CG-CD1 3.84Å; I81-S97 CarbonylContact O-C 3.53Å; I81-S97 WeakPolarHBondContact O-CA 3.33Å; I81-S97 WeakPolarHBondContact O-CB 3.08Å; I81-H98 PolarHBondContact N-O 3.2Å; I81-H98 PolarHBondContact O-N 2.95Å; I81-E100 HydrophobicContact CG1-CB 4.42Å
82Q94.1Very high79Confident13 Ų1354.6 Ų54.66%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-129.2119.7177.4-178.7-179.66.500109.8Y23 E56 R57 F80 N84 I95 E96Y23-Q82 PolarHBondContact OH-NE2 2.99Å; E56-Q82 CarbonylContact C-O 3.54Å; E56-Q82 WeakPolarHBondContact CA-O 3.45Å; R57-Q82 PolarHBondContact N-O 2.75Å; R57-Q82 PolarHBondContact O-N 3.36Å; F80-Q82 HydrophobicContact CD2-CB 4.14Å; F80-Q82 HydrophobicContact CE2-CB 3.99Å; Q82-N84 WeakPolarHBondContact CG-OD1 3.38Å; Q82-N84 PolarHBondContact NE2-OD1 3.41Å; Q82-I95 HydrophobicContact CG-CG2 4.01Å; Q82-E96 CarbonylContact C-O 3.57Å; Q82-E96 WeakPolarHBondContact CA-O 3.15Å
83K96.1Very high81.9Confident75 Ų7552.2 Ų52.233%0.32627%0.27SS..EExtended strand (participates in β ladder)trans-112.3115.4-179.9179.2-178.2174.7-1650109.8E56 I95 E96E56-K83 HydrophobicContact CG-CB 4.46Å; K83-I95 WeakPolarHBondContact O-CA 3.31Å; K83-E96 HydrophobicContact CB-CB 4.46Å; K83-E96 PolarHBondContact N-O 2.9Å; K83-E96 IonicContact NZ-OE2 2.96Å; K83-E96 PolarHBondContact O-N 3.27Å
84N96.1Very high84.5Confident2 Ų253.4 Ų53.41%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-103.6131.4177.4-62.8-5.7000108.9Y23 R54 I55 R57 Q82 L93 H94Y23-N84 WeakPolarHBondContact CE1-ND2 3.44Å; Y23-N84 PolarHBondContact OH-ND2 2.8Å; Y23-N84 PolarHBondContact OH-OD1 2.83Å; R54-N84 VanDerWaalsContact CA-O 3.31Å; R54-N84 WeakPolarHBondContact CA-O 3.43Å; I55-N84 HydrophobicContact CG2-CB 3.83Å; I55-N84 PolarHBondContact N-O 3.02Å; I55-N84 PolarHBondContact O-N 2.92Å; R57-N84 PolarHBondContact NH1-ND2 3.37Å; Q82-N84 WeakPolarHBondContact CG-OD1 3.38Å; Q82-N84 PolarHBondContact NE2-OD1 3.41Å; N84-L93 HydrophobicContact CB-CD1 4.02Å; N84-H94 CarbonylContact C-O 3.52Å; N84-H94 WeakPolarHBondContact CA-O 3.32Å
85T96.4Very high87Confident24 Ų2450.6 Ų50.615%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-120.599.4170.6-60.70000108.5T52 R54 L93 H94T52-T85 HydrophobicContact CG2-CG2 4.12Å; R54-T85 HydrophobicContact CG-CG2 3.9Å; T85-L93 WeakPolarHBondContact O-CA 3.34Å; T85-H94 PolarHBondContact N-O 3.32Å; T85-H94 PolarHBondContact O-N 3.29Å
86L95.9Very high89Confident22 Ų2252.1 Ų52.112%0.11524%0.238CC..EExtended strand (participates in β ladder)trans-89.4114.4175.2176.764.5000109.5F16 M20 T52 H53 R88 L93F16-L86 HydrophobicContact CE1-CD1 4Å; F16-L86 HydrophobicContact CZ-CD1 3.78Å; M20-L86 HydrophobicContact CG-CD1 3.92Å; M20-L86 HydrophobicContact SD-CD1 3.95Å; T52-L86 CarbonylContact C-O 3.6Å; T52-L86 WeakPolarHBondContact CA-O 3.44Å; H53-L86 HydrophobicContact CB-CB 4.47Å; H53-L86 PolarHBondContact N-O 3.15Å; H53-L86 PolarHBondContact O-N 2.92Å; L86-R88 HydrophobicContact CD2-CG 4.16Å; L86-R88 HydrophobicContact CG-CG 4.1Å; L86-L93 HydrophobicContact CB-CD1 4.12Å; L86-L93 HydrophobicContact CD1-CB 4.11Å
87N94Very high90.7Very high20 Ų2048.1 Ų48.111%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-104.1104.5169.9-172.4-18.6000109.5K89 E90 R91 T92N87-K89 VanDerWaalsContact C-N 3.3Å; N87-K89 PolarHBondContact O-N 3.44Å; N87-K89 WeakPolarHBondContact OD1-CB 3.34Å; N87-K89 PolarHBondContact OD1-N 3.16Å; N87-E90 HydrophobicContact CB-CB 4.26Å; N87-E90 VanDerWaalsContact ND2-CG 3.35Å; N87-E90 WeakPolarHBondContact ND2-CG 3.27Å; N87-E90 PolarHBondContact ND2-OE2 2.91Å; N87-E90 PolarHBondContact OD1-N 3.43Å; N87-E90 VanDerWaalsContact OD1-N 3.08Å; N87-R91 WeakPolarHBondContact O-CA 3.14Å; N87-R91 PolarHBondContact O-N 2.94Å; N87-T92 PolarHBondContact N-O 3.37Å; N87-T92 PolarHBondContact O-N 3.2Å
88R91.6Very high91.7Very high123 Ų12348 Ų4846%0.46422%0.221SC..THydrogen-bonded Turntrans-74.1-19.9-179.1-60179171.8169.4-3.6113.3A51 L86 W181A51-R88 WeakPolarHBondContact O-CB 3.35Å; A51-R88 PolarHBondContact O-N 2.64Å; L86-R88 HydrophobicContact CD2-CG 4.16Å; L86-R88 HydrophobicContact CG-CG 4.1Å; R88-W181 HydrophobicContact CB-CB 3.63Å; R88-W181 HydrophobicContact CB-CG 3.98Å
89K89.7Confident92.2Very high145 Ų14547.5 Ų47.563%0.6322%0.217SC*.THydrogen-bonded Turntrans-81.3-42.7177.2176.2-178.7176-175.50111.6A51 N87 R91 W181A51-K89 HydrophobicContact CB-CB 4.12Å; N87-K89 VanDerWaalsContact C-N 3.3Å; N87-K89 PolarHBondContact O-N 3.44Å; N87-K89 WeakPolarHBondContact OD1-CB 3.34Å; N87-K89 PolarHBondContact OD1-N 3.16Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-W181 HydrophobicContact CB-CE3 4.08Å; K89-W181 HydrophobicContact CB-CZ3 3.95Å; K89-W181 HydrophobicContact CD-CZ3 4.28Å; K89-W181 HydrophobicContact CG-CZ3 4.11Å
90E92Very high92.2Very high131 Ų13148.5 Ų48.561%0.61222%0.223SC*.THydrogen-bonded Turntrans-84.1-10.9175.1-69.6170.6-177.700112.9N87 T92N87-E90 HydrophobicContact CB-CB 4.26Å; N87-E90 VanDerWaalsContact ND2-CG 3.35Å; N87-E90 WeakPolarHBondContact ND2-CG 3.27Å; N87-E90 PolarHBondContact ND2-OE2 2.91Å; N87-E90 PolarHBondContact OD1-N 3.43Å; N87-E90 VanDerWaalsContact OD1-N 3.08Å; E90-T92 VanDerWaalsContact C-N 3.35Å; E90-T92 HydrophobicContact CB-CG2 4.37Å
91R95.1Very high91.2Very high24 Ų2447.3 Ų47.39%0.09122%0.22CC..THydrogen-bonded Turntrans55.850.3-175.4-56.6173.874.9-146.4-1.3110.9F16 E17 N87 K89 V116 E121F16-R91 HydrophobicContact CD1-CB 3.89Å; F16-R91 HydrophobicContact CD1-CG 4.46Å; F16-R91 WeakPolarHBondContact CD2-O 3.4Å; F16-R91 HydrophobicContact CE1-CB 4.18Å; F16-R91 VanDerWaalsContact CE2-O 3.23Å; F16-R91 WeakPolarHBondContact CE2-O 3.1Å; F16-R91 HydrophobicContact CG-CB 4.16Å; E17-R91 IonicContact OE1-CZ 3.61Å; E17-R91 IonicContact OE1-NE 2.68Å; E17-R91 PolarHBondContact OE1-NE 2.85Å; E17-R91 IonicContact OE1-NH2 2.66Å; E17-R91 PolarHBondContact OE1-NH2 3.43Å; E17-R91 IonicContact OE2-CZ 3.31Å; E17-R91 IonicContact OE2-NE 2.88Å; E17-R91 IonicContact OE2-NH2 3.26Å; E17-R91 PolarHBondContact OE2-NH2 3.06Å; N87-R91 WeakPolarHBondContact O-CA 3.14Å; N87-R91 PolarHBondContact O-N 2.94Å; K89-R91 VanDerWaalsContact C-N 3.34Å; R91-V116 HydrophobicContact CB-CG2 3.39Å; R91-V116 HydrophobicContact CG-CG2 4.25Å; R91-V116 VanDerWaalsContact CZ-CG2 3.46Å; R91-V116 VanDerWaalsContact NH1-CG2 3.31Å; R91-E121 PolarHBondContact NH1-O 3.16Å; R91-E121 PolarHBondContact NH2-O 3.18Å
92T96.4Very high89.7Confident21 Ų2151 Ų5113%0.12924%0.235CC..EExtended strand (participates in β ladder)trans-128.1147177.555.20000111.4N87 E90 Y114N87-T92 PolarHBondContact N-O 3.37Å; N87-T92 PolarHBondContact O-N 3.2Å; E90-T92 VanDerWaalsContact C-N 3.35Å; E90-T92 HydrophobicContact CB-CG2 4.37Å; T92-Y114 CarbonylContact C-O 3.46Å; T92-Y114 VanDerWaalsContact CA-O 3.27Å; T92-Y114 WeakPolarHBondContact CA-O 3.35Å
93L96.6Very high88.4Confident1 Ų152.4 Ų52.41%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-128.5109.9167.7166.762.6000108.1F16 M20 Y23 N84 T85 L86 I95 C113 Y114F16-L93 HydrophobicContact CE2-CB 4.47Å; F16-L93 HydrophobicContact CZ-CB 4.34Å; M20-L93 HydrophobicContact CE-CB 4.39Å; M20-L93 HydrophobicContact CE-CD2 4.26Å; M20-L93 HydrophobicContact SD-CB 3.51Å; M20-L93 VanDerWaalsContact SD-CB 3.51Å; M20-L93 HydrophobicContact SD-CD2 3.42Å; M20-L93 WeakPolarHBondContact SD-CD2 3.45Å; M20-L93 HydrophobicContact SD-CG 4.07Å; Y23-L93 HydrophobicContact CD1-CD2 3.81Å; Y23-L93 HydrophobicContact CE1-CD2 3.76Å; Y23-L93 HydrophobicContact CG-CD2 4.27Å; N84-L93 HydrophobicContact CB-CD1 4.02Å; T85-L93 WeakPolarHBondContact O-CA 3.34Å; L86-L93 HydrophobicContact CB-CD1 4.12Å; L86-L93 HydrophobicContact CD1-CB 4.11Å; L93-I95 HydrophobicContact CD1-CG1 4.19Å; L93-I95 HydrophobicContact CD2-CD1 4.1Å; L93-I95 HydrophobicContact CD2-CG1 4.32Å; L93-I95 HydrophobicContact CG-CD1 4.23Å; L93-I95 HydrophobicContact CG-CG1 3.99Å; L93-C113 WeakPolarHBondContact O-CA 3.42Å; L93-Y114 HydrophobicContact CB-CD2 4.48Å; L93-Y114 HydrophobicContact CD2-CD2 4.01Å; L93-Y114 HydrophobicContact CD2-CE2 4.45Å; L93-Y114 HydrophobicContact CG-CD2 4.33Å; L93-Y114 PolarHBondContact N-O 2.86Å; L93-Y114 PolarHBondContact O-N 2.91Å
94H96.4Very high86.6Confident81 Ų8153.6 Ų53.638%0.37526%0.256SS..EExtended strand (participates in β ladder)trans-92.1132.7171.5-67.9-79.4000109.7N84 T85 C113N84-H94 CarbonylContact C-O 3.52Å; N84-H94 WeakPolarHBondContact CA-O 3.32Å; T85-H94 PolarHBondContact N-O 3.32Å; T85-H94 PolarHBondContact O-N 3.29Å; H94-C113 VanDerWaalsContact CE1-SG 3.51Å
95I94.9Very high84.6Confident6 Ų656 Ų563%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-123.4123.5178.3-59.7161.9000106.9Y23 Q82 K83 L93 T111 C112 Y114Y23-I95 HydrophobicContact CE2-CD1 3.69Å; Y23-I95 VanDerWaalsContact OH-CD1 3.23Å; Y23-I95 WeakPolarHBondContact OH-CD1 3.41Å; Q82-I95 HydrophobicContact CG-CG2 4.01Å; K83-I95 WeakPolarHBondContact O-CA 3.31Å; L93-I95 HydrophobicContact CD1-CG1 4.19Å; L93-I95 HydrophobicContact CD2-CD1 4.1Å; L93-I95 HydrophobicContact CD2-CG1 4.32Å; L93-I95 HydrophobicContact CG-CD1 4.23Å; L93-I95 HydrophobicContact CG-CG1 3.99Å; I95-T111 CarbonylContact O-C 3.57Å; I95-T111 VanDerWaalsContact O-CA 3.25Å; I95-T111 WeakPolarHBondContact O-CA 3.42Å; I95-C112 HydrophobicContact CB-CB 4.08Å; I95-C112 HydrophobicContact CD1-CB 4.19Å; I95-C112 PolarHBondContact N-O 3Å; I95-C112 PolarHBondContact O-N 3.18Å; I95-Y114 HydrophobicContact CD1-CD2 4.14Å; I95-Y114 HydrophobicContact CD1-CE2 3.8Å
96E94.2Very high83.1Confident83 Ų8356.2 Ų56.239%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-114131.6169.8-68.9165-172.800107.2Q82 K83 E110Q82-E96 CarbonylContact C-O 3.57Å; Q82-E96 WeakPolarHBondContact CA-O 3.15Å; K83-E96 HydrophobicContact CB-CB 4.46Å; K83-E96 PolarHBondContact N-O 2.9Å; K83-E96 IonicContact NZ-OE2 2.96Å; K83-E96 PolarHBondContact O-N 3.27Å; E96-E110 CarbonylContact C-O 3.59Å
97S90.4Very high82Confident16 Ų1657.3 Ų57.311%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-141.9147173.164.10000112.4I81 H109 E110I81-S97 CarbonylContact O-C 3.53Å; I81-S97 WeakPolarHBondContact O-CA 3.33Å; I81-S97 WeakPolarHBondContact O-CB 3.08Å; S97-H109 CarbonylContact O-C 3.52Å; S97-H109 WeakPolarHBondContact O-CA 3.07Å; S97-E110 PolarHBondContact N-O 2.92Å; S97-E110 PolarHBondContact O-N 2.6Å
98H87.6Confident81.3Confident81 Ų8159 Ų5938%0.37529%0.285SS..EExtended strand (participates in β ladder)trans-146.3151.3178.263.3-87.5000111.1F80 I81 V108F80-H98 CarbonylContact C-O 3.55Å; F80-H98 WeakPolarHBondContact CA-O 3.43Å; F80-H98 WeakPolarHBondContact CB-O 3.43Å; I81-H98 PolarHBondContact N-O 3.2Å; I81-H98 PolarHBondContact O-N 2.95Å; H98-V108 VanDerWaalsContact CA-O 3.24Å; H98-V108 WeakPolarHBondContact CA-O 3.41Å
99N80.9Confident81.1Confident19 Ų1956.5 Ų56.510%0.10228%0.279CS..EExtended strand (participates in β ladder)trans-74.6133.5176.467-61.5000111.1T101 S103 V106 V108N99-T101 PolarHBondContact ND2-O 3.39Å; N99-S103 PolarHBondContact ND2-N 3.36Å; N99-V106 PolarHBondContact ND2-O 3.41Å; N99-V106 PolarHBondContact OD1-O 3.18Å; N99-V108 PolarHBondContact N-O 3.44Å; N99-V108 PolarHBondContact OD1-N 2.83Å; N99-V108 PolarHBondContact OD1-O 2.91Å
100E80.3Confident81.1Confident71 Ų7151.7 Ų51.733%0.33226%0.258SS..SBendtrans-87.5-49.3171.1-175.3-164.4-110.800109R58 Y79 I81 S103R58-E100 IonicContact CZ-OE1 3.5Å; R58-E100 IonicContact CZ-OE2 2.88Å; R58-E100 VanDerWaalsContact CZ-OE2 3.27Å; R58-E100 VanDerWaalsContact NE-CD 3.33Å; R58-E100 IonicContact NE-OE1 2.7Å; R58-E100 PolarHBondContact NE-OE1 3.07Å; R58-E100 IonicContact NE-OE2 3.69Å; R58-E100 PolarHBondContact NE-OE2 3.07Å; R58-E100 IonicContact NH2-OE1 3.4Å; R58-E100 IonicContact NH2-OE2 3.09Å; R58-E100 PolarHBondContact NH2-OE2 2.99Å; Y79-E100 VanDerWaalsContact CB-OE2 3.23Å; Y79-E100 WeakPolarHBondContact CB-OE2 3.44Å; Y79-E100 PolarHBondContact O-N 3.1Å; I81-E100 HydrophobicContact CG1-CB 4.42Å; E100-S103 WeakPolarHBondContact O-CB 3.39Å; E100-S103 PolarHBondContact O-OG 3.45Å
101T64.8Low81Confident18 Ų1847.6 Ų47.611%0.1124%0.242CC..THydrogen-bonded Turntrans-74.5140.5176-48.60000110.7V75 V78 Y79 N99 S103V75-T101 HydrophobicContact CG1-CG2 4.3Å; V75-T101 HydrophobicContact CG2-CG2 4.24Å; V78-T101 HydrophobicContact CG2-CG2 4.48Å; Y79-T101 WeakPolarHBondContact CB-OG1 3.4Å; Y79-T101 WeakPolarHBondContact CD2-OG1 3.35Å; Y79-T101 PolarHBondContact N-OG1 3.41Å; Y79-T101 PolarHBondContact O-N 3.38Å; Y79-T101 VanDerWaalsContact O-N 3.14Å; N99-T101 PolarHBondContact ND2-O 3.39Å; T101-S103 PolarHBondContact O-N 2.76Å
102F60.2Low80.9Confident95 Ų9546.8 Ų46.842%0.41724%0.24SC..THydrogen-bonded Turntrans62.510.5-174.9-57.9-68.9000116.7V78 N104 R105 V106V78-F102 HydrophobicContact CG2-CD2 4.27Å; V78-F102 HydrophobicContact CG2-CE2 3.93Å; F102-N104 PolarHBondContact O-N 2.89Å; F102-R105 PolarHBondContact O-N 2.85Å; F102-V106 PolarHBondContact O-N 3.11Å; F102-V106 VanDerWaalsContact O-O 3.09Å
103S66.9Low80.8Confident43 Ų4346.9 Ų46.930%0.30124%0.241SC..THydrogen-bonded Turntrans-56.2-20.6178.150.80000115.1N99 E100 T101 V106 V107 K135N99-S103 PolarHBondContact ND2-N 3.36Å; E100-S103 WeakPolarHBondContact O-CB 3.39Å; E100-S103 PolarHBondContact O-OG 3.45Å; T101-S103 PolarHBondContact O-N 2.76Å; S103-V106 WeakPolarHBondContact CA-O 3.31Å; S103-V107 WeakPolarHBondContact O-CG2 3.4Å; S103-K135 PolarHBondContact O-NZ 3.33Å
104N57.8Low80.8Confident99 Ų9947.1 Ų47.153%0.52924%0.242SC..THydrogen-bonded Turntrans-71.5-29.6171.2-72.98.2000113.7F102 K135 E690F102-N104 PolarHBondContact O-N 2.89Å; N104-K135 WeakPolarHBondContact O-CD 3.45Å; N104-E690 PolarHBondContact ND2-OE2 3.16Å
105R55.2Low80.8Confident53 Ų5344.6 Ų44.620%0.223%0.234CC..THydrogen-bonded Turntrans-106.8-41.8-174.8-58.6-170.5-167.9146.716.1113.4F102 K135 E690 D691F102-R105 PolarHBondContact O-N 2.85Å; R105-K135 PolarHBondContact O-N 3.16Å; R105-E690 PolarHBondContact NH2-O 3.14Å; R105-D691 IonicContact CZ-OD1 3.72Å; R105-D691 VanDerWaalsContact CZ-OD1 3.26Å; R105-D691 IonicContact NE-OD1 2.72Å; R105-D691 PolarHBondContact NE-OD1 2.78Å; R105-D691 IonicContact NH2-OD1 3.06Å; R105-D691 PolarHBondContact NH2-OD1 3.29Å
106V63.8Low80.8Confident28 Ų2845.9 Ų45.917%0.1724%0.242CC..EExtended strand (participates in β ladder)trans-132.2126.3179.5-179.20000107.8N99 F102 S103 V108 L132 I134N99-V106 PolarHBondContact ND2-O 3.41Å; N99-V106 PolarHBondContact OD1-O 3.18Å; F102-V106 PolarHBondContact O-N 3.11Å; F102-V106 VanDerWaalsContact O-O 3.09Å; S103-V106 WeakPolarHBondContact CA-O 3.31Å; V106-V108 HydrophobicContact CG1-CG2 4.04Å; V106-L132 HydrophobicContact CG1-CD1 3.48Å; V106-L132 VanDerWaalsContact CG1-CD1 3.48Å; V106-I134 HydrophobicContact CG2-CG2 4.46Å
107V74.1Confident80.8Confident46 Ų4643.3 Ų43.328%0.27923%0.23SC..EExtended strand (participates in β ladder)trans-106.5109.8170-177.50000107.9S103 L132 D133 K135S103-V107 WeakPolarHBondContact O-CG2 3.4Å; V107-L132 WeakPolarHBondContact O-CA 3.4Å; V107-D133 HydrophobicContact CB-CB 4.41Å; V107-D133 PolarHBondContact N-O 3.1Å; V107-D133 PolarHBondContact O-N 2.88Å; V107-K135 HydrophobicContact CG2-CD 4.33Å
108V79.4Confident80.8Confident55 Ų5548.2 Ų48.233%0.33326%0.261SS..EExtended strand (participates in β ladder)trans-95.3126.9166.5-170.80000106.7H98 N99 V106 L132H98-V108 VanDerWaalsContact CA-O 3.24Å; H98-V108 WeakPolarHBondContact CA-O 3.41Å; N99-V108 PolarHBondContact N-O 3.44Å; N99-V108 PolarHBondContact OD1-N 2.83Å; N99-V108 PolarHBondContact OD1-O 2.91Å; V106-V108 HydrophobicContact CG1-CG2 4.04Å; V108-L132 HydrophobicContact CG2-CD1 3.83Å
109H86.7Confident80.9Confident71 Ų7152.8 Ų52.833%0.32928%0.283SS..EExtended strand (participates in β ladder)trans-131.5119169.9-177.6-75.7000108.7S97 T111 A130 S131S97-H109 CarbonylContact O-C 3.52Å; S97-H109 WeakPolarHBondContact O-CA 3.07Å; H109-T111 PolarHBondContact CE1-OG1 2.77Å; H109-T111 VanDerWaalsContact CE1-OG1 3.22Å; H109-A130 CarbonylContact O-C 3.55Å; H109-A130 WeakPolarHBondContact O-CA 3.47Å; H109-S131 PolarHBondContact N-O 3.08Å; H109-S131 PolarHBondContact O-N 2.79Å
110E88.6Confident81.4Confident44 Ų4454.5 Ų54.521%0.20629%0.292CS..EExtended strand (participates in β ladder)trans-118.1133-177.9-177.6-178.6149.700109.8E96 S97 C112 Q128 T129 A130E96-E110 CarbonylContact C-O 3.59Å; S97-E110 PolarHBondContact N-O 2.92Å; S97-E110 PolarHBondContact O-N 2.6Å; E110-C112 PolarHBondContact OE1-SG 3.34Å; E110-C112 VanDerWaalsContact OE1-SG 3.38Å; E110-Q128 HydrophobicContact CG-CG 4.46Å; E110-Q128 PolarHBondContact OE1-NE2 3.4Å; E110-T129 WeakPolarHBondContact CA-O 3.48Å; E110-A130 HydrophobicContact CB-CB 4.4Å; E110-A130 HydrophobicContact CG-CB 4.4Å
111T91.6Very high81.8Confident44 Ų4456.6 Ų56.627%0.2730%0.302SS..EExtended strand (participates in β ladder)trans-126.1119.1178-570000109.4I95 H109 T129I95-T111 CarbonylContact O-C 3.57Å; I95-T111 VanDerWaalsContact O-CA 3.25Å; I95-T111 WeakPolarHBondContact O-CA 3.42Å; H109-T111 PolarHBondContact CE1-OG1 2.77Å; H109-T111 VanDerWaalsContact CE1-OG1 3.22Å; T111-T129 PolarHBondContact N-O 3.41Å; T111-T129 PolarHBondContact O-N 3.16Å; T111-T129 PolarHBondContact O-OG1 3.36Å; T111-T129 VanDerWaalsContact O-OG1 3.1Å
112C93Very high83.1Confident8 Ų857 Ų575%0.05431%0.31CS..EExtended strand (participates in β ladder)trans-115151.5175.2-30.10000111.2I95 E110 F126 E127I95-C112 HydrophobicContact CB-CB 4.08Å; I95-C112 HydrophobicContact CD1-CB 4.19Å; I95-C112 PolarHBondContact N-O 3Å; I95-C112 PolarHBondContact O-N 3.18Å; E110-C112 PolarHBondContact OE1-SG 3.34Å; E110-C112 VanDerWaalsContact OE1-SG 3.38Å; C112-F126 HydrophobicContact CB-CE2 3.66Å; C112-F126 HydrophobicContact CB-CZ 4.09Å; C112-E127 CarbonylContact C-O 3.55Å; C112-E127 VanDerWaalsContact CA-O 3.27Å; C112-E127 WeakPolarHBondContact CA-O 3.35Å
113C94.3Very high84.8Confident22 Ų2256.7 Ų56.715%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-132.7123.8172.3-174.60000108.9L93 H94 F126 E127L93-C113 WeakPolarHBondContact O-CA 3.42Å; H94-C113 VanDerWaalsContact CE1-SG 3.51Å; C113-F126 WeakPolarHBondContact O-CA 3.27Å; C113-E127 HydrophobicContact CB-CB 4.45Å; C113-E127 PolarHBondContact N-O 2.79Å; C113-E127 PolarHBondContact O-N 3.31Å
114Y95.9Very high86.1Confident6 Ų654.6 Ų54.62%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-98135.4158-64.7-100.6000108.6Y12 V19 M20 Y23 T92 L93 I95 T124 C125 F126Y12-Y114 HydrophobicContact CD2-CE1 4.43Å; Y12-Y114 HydrophobicContact CE2-CD1 4.41Å; Y12-Y114 AromaticContact CE2-CE1 3.8Å; Y12-Y114 HydrophobicContact CE2-CE1 3.8Å; V19-Y114 HydrophobicContact CG1-CD1 3.87Å; V19-Y114 HydrophobicContact CG1-CE1 3.85Å; M20-Y114 HydrophobicContact CE-CD1 3.93Å; M20-Y114 HydrophobicContact CE-CD2 4.29Å; M20-Y114 HydrophobicContact CE-CG 3.7Å; Y23-Y114 HydrophobicContact CD2-CE2 4.16Å; Y23-Y114 HydrophobicContact CE2-CE2 4.32Å; T92-Y114 CarbonylContact C-O 3.46Å; T92-Y114 VanDerWaalsContact CA-O 3.27Å; T92-Y114 WeakPolarHBondContact CA-O 3.35Å; L93-Y114 HydrophobicContact CB-CD2 4.48Å; L93-Y114 HydrophobicContact CD2-CD2 4.01Å; L93-Y114 HydrophobicContact CD2-CE2 4.45Å; L93-Y114 HydrophobicContact CG-CD2 4.33Å; L93-Y114 PolarHBondContact N-O 2.86Å; L93-Y114 PolarHBondContact O-N 2.91Å; I95-Y114 HydrophobicContact CD1-CD2 4.14Å; I95-Y114 HydrophobicContact CD1-CE2 3.8Å; Y114-T124 HydrophobicContact CD1-CG2 4.13Å; Y114-C125 WeakPolarHBondContact CA-O 3.22Å; Y114-F126 HydrophobicContact CD1-CB 3.99Å; Y114-F126 AromaticContact CD1-CD2 3.71Å; Y114-F126 HydrophobicContact CD1-CD2 3.71Å; Y114-F126 HydrophobicContact CD1-CG 4.28Å; Y114-F126 AromaticContact CD2-CD2 3.75Å; Y114-F126 HydrophobicContact CD2-CD2 3.75Å; Y114-F126 HydrophobicContact CD2-CE2 4.13Å; Y114-F126 HydrophobicContact CE1-CB 4.03Å; Y114-F126 AromaticContact CE1-CD2 3.42Å; Y114-F126 HydrophobicContact CE1-CD2 3.42Å; Y114-F126 VanDerWaalsContact CE1-CD2 3.42Å; Y114-F126 HydrophobicContact CE1-CE2 4.15Å; Y114-F126 AromaticContact CE1-CG 4Å; Y114-F126 HydrophobicContact CE1-CG 4Å; Y114-F126 AromaticContact CE2-CD2 3.45Å; Y114-F126 HydrophobicContact CE2-CD2 3.45Å; Y114-F126 VanDerWaalsContact CE2-CD2 3.45Å; Y114-F126 AromaticContact CE2-CE2 3.51Å; Y114-F126 HydrophobicContact CE2-CE2 3.51Å; Y114-F126 AromaticContact CG-CD2 3.86Å; Y114-F126 HydrophobicContact CG-CD2 3.86Å; Y114-F126 AromaticContact CZ-CD2 3.27Å; Y114-F126 AromaticContact CZ-CE2 3.52Å
115S95.9Very high87.8Confident29 Ų2950.3 Ų50.320%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-146.9165179.959.80000110.7T124 C125S115-T124 CarbonylContact O-C 3.59Å; S115-T124 WeakPolarHBondContact O-CA 3.49Å; S115-T124 WeakPolarHBondContact O-CG2 3.48Å; S115-C125 PolarHBondContact N-O 3.29Å; S115-C125 PolarHBondContact O-N 3.44Å
116V95.2Very high89.6Confident33 Ų3348.3 Ų48.320%0.226%0.262CS..EExtended strand (participates in β ladder)trans-70.4138.6173.7-178.70000109.9F16 R91 E121F16-V116 HydrophobicContact CB-CG2 4.2Å; R91-V116 HydrophobicContact CB-CG2 3.39Å; R91-V116 HydrophobicContact CG-CG2 4.25Å; R91-V116 VanDerWaalsContact CZ-CG2 3.46Å; R91-V116 VanDerWaalsContact NH1-CG2 3.31Å; V116-E121 HydrophobicContact CG1-CB 4.44Å
117H93.9Very high90.9Very high28 Ų2850.9 Ų50.913%0.1327%0.272CS..EExtended strand (participates in β ladder)trans-64.9128.4177-172.9-83.8000110.6E119 N120 W123 C125H117-E119 IonicContact CE1-OE2 2.81Å; H117-E119 PolarHBondContact ND1-N 3.34Å; H117-E119 PolarHBondContact O-N 3.23Å; H117-E119 VanDerWaalsContact O-N 3.13Å; H117-N120 WeakPolarHBondContact CB-O 3.38Å; H117-N120 PolarHBondContact ND1-N 3.34Å; H117-N120 CarbonylContact O-C 3.56Å; H117-N120 PolarHBondContact O-N 3.12Å; H117-W123 HydrophobicContact CB-CB 3.73Å; H117-W123 PolarHBondContact N-O 3.2Å; H117-C125 PolarHBondContact CD2-SG 3.32Å
118P90.2Very high91.5Very high119 Ų11949.5 Ų49.577%0.77326%0.262SS*.THydrogen-bonded Turntrans-62.4-28.7-169.223.1-34.2000113.7
119E90.8Very high91.8Very high177 Ų17749.4 Ų49.483%0.82726%0.262SS*.THydrogen-bonded Turntrans-97.5-6.6178.8-51.9179152.800113.6H117H117-E119 IonicContact CE1-OE2 2.81Å; H117-E119 PolarHBondContact ND1-N 3.34Å; H117-E119 PolarHBondContact O-N 3.23Å; H117-E119 VanDerWaalsContact O-N 3.13Å
120N91.3Very high91.7Very high56 Ų5646.7 Ų46.730%0.29925%0.252SS..EExtended strand (participates in β ladder)trans-153.4102.6-173.9-170.5-23.3000112.4H117 G122 W123H117-N120 WeakPolarHBondContact CB-O 3.38Å; H117-N120 PolarHBondContact ND1-N 3.34Å; H117-N120 CarbonylContact O-C 3.56Å; H117-N120 PolarHBondContact O-N 3.12Å; N120-G122 PolarHBondContact O-N 2.97Å; N120-G122 PolarHBondContact OD1-N 2.92Å; N120-W123 HydrophobicContact CB-CB 4.36Å; N120-W123 HydrophobicContact CB-CD2 4.01Å; N120-W123 HydrophobicContact CB-CE3 3.97Å; N120-W123 HydrophobicContact CB-CG 4.2Å; N120-W123 VanDerWaalsContact ND2-CD2 3.33Å; N120-W123 PolarHBondContact ND2-NE1 3.07Å; N120-W123 PolarHBondContact O-N 3.42Å
121E88.9Confident91.4Very high115 Ų11546 Ų4654%0.53725%0.251SS..EExtended strand (participates in β ladder)trans-60.9-17.4-179.2-72.5-164.3-163.900115.7R91 V116 R180R91-E121 PolarHBondContact NH1-O 3.16Å; R91-E121 PolarHBondContact NH2-O 3.18Å; V116-E121 HydrophobicContact CG1-CB 4.44Å; E121-R180 IonicContact OE2-CZ 3.19Å; E121-R180 IonicContact OE2-NH1 3.53Å; E121-R180 PolarHBondContact OE2-NH1 2.69Å; E121-R180 IonicContact OE2-NH2 2.73Å; E121-R180 PolarHBondContact OE2-NH2 2.68Å
122G92.2Very high90.7Very high27 Ų2745 Ų4528%0.27825%0.245SC..EExtended strand (participates in β ladder)trans-88.2-1.1177.300000114.2H14 P15 N120H14-G122 CarbonylContact C-O 3.55Å; P15-G122 WeakPolarHBondContact CD-O 3.17Å; N120-G122 PolarHBondContact O-N 2.97Å; N120-G122 PolarHBondContact OD1-N 2.92Å
123W94.6Very high89.8Confident87 Ų8746.7 Ų46.733%0.3325%0.253SS..EExtended strand (participates in β ladder)trans-116.7155.8176.9-65-7.9000111.4V11 Y12 K13 H14 H117 N120V11-W123 HydrophobicContact CG1-CB 3.94Å; V11-W123 HydrophobicContact CG1-CD2 4.15Å; V11-W123 HydrophobicContact CG1-CE3 3.8Å; V11-W123 HydrophobicContact CG1-CG 4.26Å; Y12-W123 WeakPolarHBondContact O-CA 3.44Å; K13-W123 VanDerWaalsContact CA-CD1 3.48Å; K13-W123 HydrophobicContact CD-CZ2 4.45Å; K13-W123 HydrophobicContact CG-CD2 4.45Å; K13-W123 HydrophobicContact CG-CZ2 4.43Å; H14-W123 CarbonylContact O-C 3.59Å; H117-W123 HydrophobicContact CB-CB 3.73Å; H117-W123 PolarHBondContact N-O 3.2Å; N120-W123 HydrophobicContact CB-CB 4.36Å; N120-W123 HydrophobicContact CB-CD2 4.01Å; N120-W123 HydrophobicContact CB-CE3 3.97Å; N120-W123 HydrophobicContact CB-CG 4.2Å; N120-W123 VanDerWaalsContact ND2-CD2 3.33Å; N120-W123 PolarHBondContact ND2-NE1 3.07Å; N120-W123 PolarHBondContact O-N 3.42Å
124T95.3Very high88.4Confident0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-119.5119.6-178.6-53.30000110V11 Y12 H14 F16 V19 Y114 S115V11-T124 WeakPolarHBondContact CA-O 3.47Å; Y12-T124 PolarHBondContact N-O 3.26Å; Y12-T124 PolarHBondContact O-N 3.26Å; H14-T124 PolarHBondContact O-N 3.31Å; H14-T124 PolarHBondContact O-OG1 2.77Å; F16-T124 WeakPolarHBondContact CA-OG1 3.32Å; F16-T124 HydrophobicContact CD2-CG2 4.11Å; F16-T124 PolarHBondContact N-OG1 3.25Å; F16-T124 VanDerWaalsContact N-OG1 3.08Å; V19-T124 HydrophobicContact CB-CG2 4.26Å; V19-T124 HydrophobicContact CG1-CG2 4.2Å; V19-T124 HydrophobicContact CG2-CG2 4.31Å; Y114-T124 HydrophobicContact CD1-CG2 4.13Å; S115-T124 CarbonylContact O-C 3.59Å; S115-T124 WeakPolarHBondContact O-CA 3.49Å; S115-T124 WeakPolarHBondContact O-CG2 3.48Å
125C93.6Very high86.8Confident8 Ų850.9 Ų50.95%0.05427%0.269CS..EExtended strand (participates in β ladder)trans-73.8146.7166.7-76.40000110.7V9 R10 Y114 S115 H117V9-C125 HydrophobicContact CG1-CB 4.33Å; R10-C125 CarbonylContact O-C 3.55Å; R10-C125 VanDerWaalsContact O-CA 3.29Å; R10-C125 WeakPolarHBondContact O-CA 3.4Å; Y114-C125 WeakPolarHBondContact CA-O 3.22Å; S115-C125 PolarHBondContact N-O 3.29Å; S115-C125 PolarHBondContact O-N 3.44Å; H117-C125 PolarHBondContact CD2-SG 3.32Å
126F92.8Very high84.9Confident11 Ų1152.7 Ų52.75%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-133.6125.4167.7171.3-98.2000109.8R10 Y12 C112 C113 Y114 Q128R10-F126 HydrophobicContact CB-CB 4.24Å; R10-F126 HydrophobicContact CB-CD1 4.28Å; R10-F126 PolarHBondContact N-O 3.04Å; R10-F126 PolarHBondContact O-N 3.29Å; Y12-F126 HydrophobicContact CD2-CB 4.3Å; Y12-F126 HydrophobicContact CE2-CB 3.72Å; Y12-F126 HydrophobicContact CE2-CG 4.31Å; C112-F126 HydrophobicContact CB-CE2 3.66Å; C112-F126 HydrophobicContact CB-CZ 4.09Å; C113-F126 WeakPolarHBondContact O-CA 3.27Å; Y114-F126 HydrophobicContact CD1-CB 3.99Å; Y114-F126 AromaticContact CD1-CD2 3.71Å; Y114-F126 HydrophobicContact CD1-CD2 3.71Å; Y114-F126 HydrophobicContact CD1-CG 4.28Å; Y114-F126 AromaticContact CD2-CD2 3.75Å; Y114-F126 HydrophobicContact CD2-CD2 3.75Å; Y114-F126 HydrophobicContact CD2-CE2 4.13Å; Y114-F126 HydrophobicContact CE1-CB 4.03Å; Y114-F126 AromaticContact CE1-CD2 3.42Å; Y114-F126 HydrophobicContact CE1-CD2 3.42Å; Y114-F126 VanDerWaalsContact CE1-CD2 3.42Å; Y114-F126 HydrophobicContact CE1-CE2 4.15Å; Y114-F126 AromaticContact CE1-CG 4Å; Y114-F126 HydrophobicContact CE1-CG 4Å; Y114-F126 AromaticContact CE2-CD2 3.45Å; Y114-F126 HydrophobicContact CE2-CD2 3.45Å; Y114-F126 VanDerWaalsContact CE2-CD2 3.45Å; Y114-F126 AromaticContact CE2-CE2 3.51Å; Y114-F126 HydrophobicContact CE2-CE2 3.51Å; Y114-F126 AromaticContact CG-CD2 3.86Å; Y114-F126 HydrophobicContact CG-CD2 3.86Å; Y114-F126 AromaticContact CZ-CD2 3.27Å; Y114-F126 AromaticContact CZ-CE2 3.52Å; F126-Q128 HydrophobicContact CE1-CB 3.74Å; F126-Q128 HydrophobicContact CE1-CG 4.26Å; F126-Q128 HydrophobicContact CZ-CB 3.86Å; F126-Q128 HydrophobicContact CZ-CG 3.99Å
127E90Very high82.8Confident82 Ų8252 Ų5238%0.38328%0.276SS..EExtended strand (participates in β ladder)trans-119.1140.2177-58.2-170.9169.500109V9 C112 C113V9-E127 HydrophobicContact CG1-CG 4.03Å; V9-E127 HydrophobicContact CG2-CG 4.1Å; C112-E127 CarbonylContact C-O 3.55Å; C112-E127 VanDerWaalsContact CA-O 3.27Å; C112-E127 WeakPolarHBondContact CA-O 3.35Å; C113-E127 HydrophobicContact CB-CB 4.45Å; C113-E127 PolarHBondContact N-O 2.79Å; C113-E127 PolarHBondContact O-N 3.31Å
128Q86.4Confident80.8Confident18 Ų1851.7 Ų51.78%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-137.5130.7-178-160.3-173.710.200109.3S7 E110 F126 Y152S7-Q128 PolarHBondContact N-O 3.35Å; S7-Q128 WeakPolarHBondContact OG-CB 3.35Å; S7-Q128 PolarHBondContact OG-N 2.99Å; S7-Q128 PolarHBondContact OG-O 3.16Å; E110-Q128 HydrophobicContact CG-CG 4.46Å; E110-Q128 PolarHBondContact OE1-NE2 3.4Å; F126-Q128 HydrophobicContact CE1-CB 3.74Å; F126-Q128 HydrophobicContact CE1-CG 4.26Å; F126-Q128 HydrophobicContact CZ-CB 3.86Å; F126-Q128 HydrophobicContact CZ-CG 3.99Å; Q128-Y152 WeakPolarHBondContact CG-OH 3.33Å; Q128-Y152 PolarHBondContact NE2-OH 3.37Å
129T87.1Confident78.9Confident53 Ų5347.2 Ų47.233%0.32525%0.25SS..EExtended strand (participates in β ladder)trans-128.1146.1171.8560000108.9Y5 Q6 E110 T111Y5-T129 CarbonylContact O-C 3.57Å; Y5-T129 WeakPolarHBondContact O-CA 3.37Å; Y5-T129 WeakPolarHBondContact O-CB 3.17Å; Q6-T129 HydrophobicContact CB-CG2 4.01Å; Q6-T129 HydrophobicContact CG-CG2 3.88Å; E110-T129 WeakPolarHBondContact CA-O 3.48Å; T111-T129 PolarHBondContact N-O 3.41Å; T111-T129 PolarHBondContact O-N 3.16Å; T111-T129 PolarHBondContact O-OG1 3.36Å; T111-T129 VanDerWaalsContact O-OG1 3.1Å
130A84.1Confident77.1Confident14 Ų1439.4 Ų39.412%0.11621%0.213CC..EExtended strand (participates in β ladder)trans-138.3142.8172.500000109.4Y5 H109 E110 Y152Y5-A130 PolarHBondContact N-O 3.44Å; Y5-A130 PolarHBondContact O-N 3.47Å; H109-A130 CarbonylContact O-C 3.55Å; H109-A130 WeakPolarHBondContact O-CA 3.47Å; E110-A130 HydrophobicContact CB-CB 4.4Å; E110-A130 HydrophobicContact CG-CB 4.4Å; A130-Y152 HydrophobicContact CB-CD2 4.25Å; A130-Y152 HydrophobicContact CB-CE1 4.32Å; A130-Y152 HydrophobicContact CB-CE2 3.47Å; A130-Y152 VanDerWaalsContact CB-CE2 3.47Å
131S82.7Confident75.8Confident28 Ų2839 Ų3920%0.19621%0.21CC..EExtended strand (participates in β ladder)trans-117.6138.1164.861.10000110.4Q3 H109Q3-S131 CarbonylContact O-C 3.53Å; Q3-S131 WeakPolarHBondContact O-CA 3.42Å; Q3-S131 WeakPolarHBondContact O-CB 3.4Å; H109-S131 PolarHBondContact N-O 3.08Å; H109-S131 PolarHBondContact O-N 2.79Å
132L76.5Confident74.4Confident24 Ų2436.4 Ų36.413%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-118.8122.7175-176.774.7000107.6Q3 V106 V107 V108 I134 E145 A148Q3-L132 PolarHBondContact N-O 3.37Å; Q3-L132 PolarHBondContact O-N 2.87Å; V106-L132 HydrophobicContact CG1-CD1 3.48Å; V106-L132 VanDerWaalsContact CG1-CD1 3.48Å; V107-L132 WeakPolarHBondContact O-CA 3.4Å; V108-L132 HydrophobicContact CG2-CD1 3.83Å; L132-I134 HydrophobicContact CD2-CD1 4.18Å; L132-I134 HydrophobicContact CD2-CG1 4.15Å; L132-I134 HydrophobicContact CG-CG1 4.13Å; L132-E145 HydrophobicContact CD2-CG 4.42Å; L132-A148 HydrophobicContact CD2-CB 3.39Å
133D74.2Confident72.7Confident43 Ų4337 Ų3723%0.2320%0.203CC..EExtended strand (participates in β ladder)trans-118.2110.3168-171.135.3000109.9M1 V2 V107M1-D133 WeakPolarHBondContact CA-OD1 3.03Å; M1-D133 PolarHBondContact N-OD1 2.88Å; V2-D133 HydrophobicContact CG2-CB 4.01Å; V2-D133 PolarHBondContact N-OD1 3.47Å; V107-D133 HydrophobicContact CB-CB 4.41Å; V107-D133 PolarHBondContact N-O 3.1Å; V107-D133 PolarHBondContact O-N 2.88Å
134I64.8Low70.8Confident4 Ų434 Ų342%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-88.5117.8170.6-49.8-166000107.3M1 V106 L132 F137 E141 V144 E145M1-I134 PolarHBondContact N-O 3.28Å; M1-I134 VanDerWaalsContact N-O 3.12Å; V106-I134 HydrophobicContact CG2-CG2 4.46Å; L132-I134 HydrophobicContact CD2-CD1 4.18Å; L132-I134 HydrophobicContact CD2-CG1 4.15Å; L132-I134 HydrophobicContact CG-CG1 4.13Å; I134-F137 HydrophobicContact CG2-CB 3.92Å; I134-E141 HydrophobicContact CB-CB 4.31Å; I134-E141 HydrophobicContact CB-CG 4.36Å; I134-E141 HydrophobicContact CG2-CB 4.1Å; I134-E141 HydrophobicContact CG2-CG 3.79Å; I134-V144 HydrophobicContact CD1-CB 3.55Å; I134-V144 HydrophobicContact CD1-CG1 3.5Å; I134-V144 VanDerWaalsContact CD1-CG1 3.5Å; I134-E145 HydrophobicContact CD1-CB 4.46Å; I134-E145 HydrophobicContact CD1-CG 3.75Å; I134-E145 HydrophobicContact CG1-CG 4.08Å
135K61.7Low69.4Low113 Ų11334.7 Ų34.749%0.49120%0.197SC..  trans-84.4-48.1-175-72169.3171.3170.40111.9S103 N104 R105 V107S103-K135 PolarHBondContact O-NZ 3.33Å; N104-K135 WeakPolarHBondContact O-CD 3.45Å; R105-K135 PolarHBondContact O-N 3.16Å; V107-K135 HydrophobicContact CG2-CD 4.33Å
136S55.8Low68Low66 Ų6641.3 Ų41.346%0.46223%0.225SC..  trans-157.2130.8174.9-177.20000109.6
137F52.8Low66.5Low19 Ų1942 Ų428%0.08323%0.228CC..SBendtrans-150.256.5176-151.1-92.6000110.7I134 G139 F140 E141 V144 T458 L459I134-F137 HydrophobicContact CG2-CB 3.92Å; F137-G139 PolarHBondContact O-N 3.09Å; F137-F140 WeakPolarHBondContact O-CD2 3.48Å; F137-F140 PolarHBondContact O-N 2.69Å; F137-E141 HydrophobicContact CB-CG 4.38Å; F137-E141 PolarHBondContact N-OE1 3.08Å; F137-V144 HydrophobicContact CD1-CG2 3.4Å; F137-V144 VanDerWaalsContact CD1-CG2 3.4Å; F137-V144 HydrophobicContact CE1-CG2 3.43Å; F137-V144 VanDerWaalsContact CE1-CG2 3.43Å; F137-V144 HydrophobicContact CG-CG2 4.04Å; F137-V144 HydrophobicContact CZ-CG2 4.13Å; F137-T458 HydrophobicContact CE1-CG2 4.37Å; F137-T458 HydrophobicContact CE2-CG2 3.82Å; F137-T458 HydrophobicContact CZ-CG2 3.44Å; F137-T458 VanDerWaalsContact CZ-CG2 3.44Å; F137-L459 HydrophobicContact CD1-CD2 3.8Å; F137-L459 HydrophobicContact CE1-CD2 3.54Å
138F50.3Low65.1Low21 Ų2139.6 Ų39.69%0.09222%0.223CC..THydrogen-bonded Turntrans56.624175.8-47.9-85000114.5F140 R420 V455 L459 E685 L687 D691 F692F138-F140 HydrophobicContact CB-CD2 3.83Å; F138-F140 HydrophobicContact CB-CE2 3.86Å; F138-F140 WeakPolarHBondContact O-CD2 3.41Å; F138-R420 PolarHBondContact O-NE 3.01Å; F138-R420 PolarHBondContact O-NH2 3.12Å; F138-V455 HydrophobicContact CE1-CG1 4.3Å; F138-V455 HydrophobicContact CE2-CG1 4Å; F138-V455 HydrophobicContact CZ-CG1 3.84Å; F138-L459 HydrophobicContact CD2-CD2 4.02Å; F138-E685 WeakPolarHBondContact CA-OE1 3.48Å; F138-L687 HydrophobicContact CD1-CD1 4.26Å; F138-L687 HydrophobicContact CD1-CD2 3.63Å; F138-L687 HydrophobicContact CD1-CG 4.45Å; F138-L687 HydrophobicContact CE1-CB 4.26Å; F138-L687 HydrophobicContact CE1-CD1 4.08Å; F138-L687 HydrophobicContact CE1-CD2 3.9Å; F138-L687 HydrophobicContact CE1-CG 4.31Å; F138-D691 HydrophobicContact CZ-CB 4.32Å; F138-F692 HydrophobicContact CE1-CZ 4.03Å; F138-F692 HydrophobicContact CZ-CZ 4.42Å
139G52Low64Low26 Ų2642.4 Ų42.427%0.26824%0.237SC..THydrogen-bonded Turntrans81.510.2-176.200000115.9F137 E141 R420F137-G139 PolarHBondContact O-N 3.09Å; G139-E141 WeakPolarHBondContact CA-OE1 3.37Å; G139-E141 WeakPolarHBondContact CA-OE2 3.5Å; G139-E141 PolarHBondContact N-OE1 3.27Å; G139-R420 VanDerWaalsContact CA-CZ 3.43Å
140F52.3Low62.8Low13 Ų1347.2 Ų47.26%0.05725%0.253CS..  trans-101.217.1176.6-54.9-81.9000112.7F137 F138 S142 T143 V144 R420 V423 L459F137-F140 WeakPolarHBondContact O-CD2 3.48Å; F137-F140 PolarHBondContact O-N 2.69Å; F138-F140 HydrophobicContact CB-CD2 3.83Å; F138-F140 HydrophobicContact CB-CE2 3.86Å; F138-F140 WeakPolarHBondContact O-CD2 3.41Å; F140-S142 VanDerWaalsContact C-N 3.31Å; F140-S142 PolarHBondContact O-N 2.93Å; F140-T143 WeakPolarHBondContact O-CA 3.47Å; F140-T143 WeakPolarHBondContact O-CB 3.41Å; F140-T143 PolarHBondContact O-N 3.39Å; F140-V144 PolarHBondContact O-N 3.43Å; F140-R420 HydrophobicContact CE1-CB 4.18Å; F140-R420 HydrophobicContact CE1-CG 4.38Å; F140-R420 HydrophobicContact CE2-CG 4.3Å; F140-R420 HydrophobicContact CZ-CB 4.04Å; F140-R420 HydrophobicContact CZ-CG 3.89Å; F140-V423 HydrophobicContact CD1-CG1 4.46Å; F140-V423 HydrophobicContact CE1-CB 3.74Å; F140-V423 HydrophobicContact CE1-CG1 3.68Å; F140-V423 HydrophobicContact CE2-CG1 4.31Å; F140-V423 HydrophobicContact CZ-CB 3.52Å; F140-V423 HydrophobicContact CZ-CG1 3.59Å; F140-V423 HydrophobicContact CZ-CG2 3.97Å; F140-L459 HydrophobicContact CD2-CD1 4.49Å; F140-L459 HydrophobicContact CD2-CD2 3.68Å; F140-L459 HydrophobicContact CE2-CD1 3.97Å; F140-L459 HydrophobicContact CE2-CD2 3.99Å; F140-L459 HydrophobicContact CG-CD2 4.48Å
141E64.1Low61.8Low47 Ų4751.8 Ų51.822%0.2227%0.272CS..Hα-helixtrans-54.7-46.9-171-60.571.8-15400111.1I134 F137 G139 T143 V144 E145I134-E141 HydrophobicContact CB-CB 4.31Å; I134-E141 HydrophobicContact CB-CG 4.36Å; I134-E141 HydrophobicContact CG2-CB 4.1Å; I134-E141 HydrophobicContact CG2-CG 3.79Å; F137-E141 HydrophobicContact CB-CG 4.38Å; F137-E141 PolarHBondContact N-OE1 3.08Å; G139-E141 WeakPolarHBondContact CA-OE1 3.37Å; G139-E141 WeakPolarHBondContact CA-OE2 3.5Å; G139-E141 PolarHBondContact N-OE1 3.27Å; E141-T143 PolarHBondContact O-N 2.98Å; E141-V144 PolarHBondContact O-N 2.85Å; E141-E145 WeakPolarHBondContact O-CB 3.26Å; E141-E145 WeakPolarHBondContact O-CG 3.48Å; E141-E145 PolarHBondContact O-N 2.82Å
142S60.2Low60.9Low61 Ų6152.2 Ų52.243%0.42727%0.27SS..Hα-helixtrans-62.1-23.8177.266.30000114.8F140 K146F140-S142 VanDerWaalsContact C-N 3.31Å; F140-S142 PolarHBondContact O-N 2.93Å; S142-K146 WeakPolarHBondContact O-CG 3.37Å
143T55Low60.3Low40 Ų4053.3 Ų53.325%0.24528%0.283CS..Hα-helixtrans-82.6-45.3176-62.90000109.9F140 E141 E145 K146 I147 L427 F463F140-T143 WeakPolarHBondContact O-CA 3.47Å; F140-T143 WeakPolarHBondContact O-CB 3.41Å; F140-T143 PolarHBondContact O-N 3.39Å; E141-T143 PolarHBondContact O-N 2.98Å; T143-E145 VanDerWaalsContact C-N 3.35Å; T143-E145 PolarHBondContact O-N 2.98Å; T143-K146 PolarHBondContact O-N 2.81Å; T143-I147 HydrophobicContact CG2-CD1 4.36Å; T143-I147 WeakPolarHBondContact O-CD1 3.42Å; T143-I147 VanDerWaalsContact O-CG1 3.31Å; T143-I147 WeakPolarHBondContact O-CG1 3.35Å; T143-I147 PolarHBondContact O-N 3.46Å; T143-L427 HydrophobicContact CG2-CD1 4.03Å; T143-F463 HydrophobicContact CG2-CE2 4.19Å; T143-F463 HydrophobicContact CG2-CZ 3.63Å
144V56.4Low59.7Low23 Ų2354.1 Ų54.114%0.13929%0.291CS..Hα-helixtrans-64.5-38.6175.9-175.50000111.8I134 F137 F140 E141 K146 I147 A148I134-V144 HydrophobicContact CD1-CB 3.55Å; I134-V144 HydrophobicContact CD1-CG1 3.5Å; I134-V144 VanDerWaalsContact CD1-CG1 3.5Å; F137-V144 HydrophobicContact CD1-CG2 3.4Å; F137-V144 VanDerWaalsContact CD1-CG2 3.4Å; F137-V144 HydrophobicContact CE1-CG2 3.43Å; F137-V144 VanDerWaalsContact CE1-CG2 3.43Å; F137-V144 HydrophobicContact CG-CG2 4.04Å; F137-V144 HydrophobicContact CZ-CG2 4.13Å; F140-V144 PolarHBondContact O-N 3.43Å; E141-V144 PolarHBondContact O-N 2.85Å; V144-K146 PolarHBondContact O-N 2.91Å; V144-I147 PolarHBondContact O-N 2.77Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.73Å
145E65.2Low59.7Low14 Ų1456.7 Ų56.77%0.06531%0.31CS..Hα-helixtrans-54.2-49.9173.1-79.6176.6-160.100111.3Q3 L132 I134 E141 T143 I147 A148 M149Q3-E145 HydrophobicContact CG-CG 4.1Å; Q3-E145 VanDerWaalsContact CG-OE2 3.32Å; Q3-E145 WeakPolarHBondContact CG-OE2 3.42Å; Q3-E145 PolarHBondContact NE2-OE2 3.09Å; L132-E145 HydrophobicContact CD2-CG 4.42Å; I134-E145 HydrophobicContact CD1-CB 4.46Å; I134-E145 HydrophobicContact CD1-CG 3.75Å; I134-E145 HydrophobicContact CG1-CG 4.08Å; E141-E145 WeakPolarHBondContact O-CB 3.26Å; E141-E145 WeakPolarHBondContact O-CG 3.48Å; E141-E145 PolarHBondContact O-N 2.82Å; T143-E145 VanDerWaalsContact C-N 3.35Å; T143-E145 PolarHBondContact O-N 2.98Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.34Å; E145-A148 PolarHBondContact O-N 2.87Å; E145-M149 VanDerWaalsContact O-CG 3.28Å; E145-M149 WeakPolarHBondContact O-CG 3.44Å; E145-M149 PolarHBondContact O-N 3.45Å
146K63.7Low59.8Low148 Ų14852 Ų5264%0.64329%0.29SS*.Hα-helixtrans-60.5-38.6178.7-73.2172.6-177.8178.30112.8S142 T143 V144 K150S142-K146 WeakPolarHBondContact O-CG 3.37Å; T143-K146 PolarHBondContact O-N 2.81Å; V144-K146 PolarHBondContact O-N 2.91Å; K146-K150 PolarHBondContact O-N 2.69Å; K146-K150 VanDerWaalsContact O-N 3.07Å
147I60.7Low60.4Low24 Ų2453.6 Ų53.612%0.12329%0.293CS..Hα-helixtrans-71.6-45.6179.3-54.1156.2000110.5T143 V144 E145 M149 K150 Q151 P462 F463T143-I147 HydrophobicContact CG2-CD1 4.36Å; T143-I147 WeakPolarHBondContact O-CD1 3.42Å; T143-I147 VanDerWaalsContact O-CG1 3.31Å; T143-I147 WeakPolarHBondContact O-CG1 3.35Å; T143-I147 PolarHBondContact O-N 3.46Å; V144-I147 PolarHBondContact O-N 2.77Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.34Å; I147-M149 VanDerWaalsContact C-N 3.26Å; I147-M149 PolarHBondContact O-N 3.17Å; I147-K150 WeakPolarHBondContact O-CA 3.13Å; I147-K150 WeakPolarHBondContact O-CB 3.24Å; I147-K150 PolarHBondContact O-N 3.01Å; I147-Q151 PolarHBondContact O-N 3.06Å; I147-P462 HydrophobicContact CD1-CB 4.02Å; I147-P462 HydrophobicContact CG2-CB 3.7Å; I147-P462 WeakPolarHBondContact CG2-O 3.37Å; I147-F463 HydrophobicContact CD1-CD2 3.78Å; I147-F463 HydrophobicContact CD1-CE1 4.13Å; I147-F463 HydrophobicContact CD1-CE2 3.12Å; I147-F463 HydrophobicContact CD1-CZ 3.33Å; I147-F463 HydrophobicContact CG1-CE1 4.16Å; I147-F463 HydrophobicContact CG1-CE2 4.04Å; I147-F463 HydrophobicContact CG1-CZ 3.79Å
148A60.6Low61.4Low32 Ų3258.4 Ų58.426%0.26431%0.314SS..Hα-helixtrans-58.8-40.3177.200000110.9L132 V144 E145 Q151 Y152L132-A148 HydrophobicContact CD2-CB 3.39Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.73Å; E145-A148 PolarHBondContact O-N 2.87Å; A148-Q151 PolarHBondContact O-N 2.93Å; A148-Y152 WeakPolarHBondContact O-CB 3.41Å; A148-Y152 PolarHBondContact O-N 2.87Å
149M64.7Low62.8Low78 Ų7858.7 Ų58.738%0.38432%0.323SS..Hα-helixtrans-59.8-46.1170.4-70.1175.2-17400112.7Q3 E145 I147 Y152 A153Q3-M149 HydrophobicContact CB-CE 3.9Å; Q3-M149 HydrophobicContact CG-CE 3.61Å; E145-M149 VanDerWaalsContact O-CG 3.28Å; E145-M149 WeakPolarHBondContact O-CG 3.44Å; E145-M149 PolarHBondContact O-N 3.45Å; I147-M149 VanDerWaalsContact C-N 3.26Å; I147-M149 PolarHBondContact O-N 3.17Å; M149-Y152 PolarHBondContact O-N 3.19Å; M149-A153 WeakPolarHBondContact O-CB 3.48Å; M149-A153 PolarHBondContact O-N 2.94Å
150K61.3Low64.2Low153 Ų15361.3 Ų61.367%0.66533%0.327SS*.Hα-helixtrans-61.8-43.6178-174.8-179.2179-176.80111.9K146 I147 S154K146-K150 PolarHBondContact O-N 2.69Å; K146-K150 VanDerWaalsContact O-N 3.07Å; I147-K150 WeakPolarHBondContact O-CA 3.13Å; I147-K150 WeakPolarHBondContact O-CB 3.24Å; I147-K150 PolarHBondContact O-N 3.01Å; K150-S154 PolarHBondContact O-N 3.45Å; K150-S154 VanDerWaalsContact O-N 3.09Å
151Q62.3Low65.9Low111 Ų11166.1 Ų66.152%0.51935%0.349SS..Hα-helixtrans-70.5-38.6178.7-176.561.78.500112.4I147 A148 S154 S155I147-Q151 PolarHBondContact O-N 3.06Å; A148-Q151 PolarHBondContact O-N 2.93Å; Q151-S154 PolarHBondContact O-N 3.5Å; Q151-S155 WeakPolarHBondContact O-CB 3.23Å; Q151-S155 PolarHBondContact O-N 2.92Å; Q151-S155 PolarHBondContact O-OG 3.31Å
152Y64.9Low67Low37 Ų3764.5 Ų64.515%0.14534%0.342CS..Hα-helixtrans-62.6-47.7173.8-177.6-91.7000110.7Y5 Q128 A130 A148 M149 S154 S155 I156Y5-Y152 HydrophobicContact CD1-CD1 4.05Å; Y5-Y152 AromaticContact CD1-CE1 3.31Å; Y5-Y152 HydrophobicContact CD1-CE1 3.31Å; Y5-Y152 HydrophobicContact CE1-CD1 4.19Å; Y5-Y152 AromaticContact CE1-CE1 3.48Å; Y5-Y152 HydrophobicContact CE1-CE1 3.48Å; Y5-Y152 VanDerWaalsContact CE1-CE1 3.48Å; Y5-Y152 HydrophobicContact CG-CD1 4.39Å; Y5-Y152 HydrophobicContact CG-CE1 4.04Å; Q128-Y152 WeakPolarHBondContact CG-OH 3.33Å; Q128-Y152 PolarHBondContact NE2-OH 3.37Å; A130-Y152 HydrophobicContact CB-CD2 4.25Å; A130-Y152 HydrophobicContact CB-CE1 4.32Å; A130-Y152 HydrophobicContact CB-CE2 3.47Å; A130-Y152 VanDerWaalsContact CB-CE2 3.47Å; A148-Y152 WeakPolarHBondContact O-CB 3.41Å; A148-Y152 PolarHBondContact O-N 2.87Å; M149-Y152 PolarHBondContact O-N 3.19Å; Y152-S154 VanDerWaalsContact C-N 3.28Å; Y152-S154 PolarHBondContact O-N 3.14Å; Y152-S155 PolarHBondContact O-N 3.12Å; Y152-S155 VanDerWaalsContact O-N 3.1Å; Y152-I156 HydrophobicContact CD1-CD1 3.56Å; Y152-I156 HydrophobicContact CD1-CG1 4.15Å; Y152-I156 HydrophobicContact CE1-CD1 3.33Å; Y152-I156 HydrophobicContact CE1-CG1 3.83Å; Y152-I156 WeakPolarHBondContact O-CG1 3.5Å; Y152-I156 PolarHBondContact O-N 3.08Å
153A63.4Low68.5Low47 Ų4761.6 Ų61.639%0.38832%0.322SS..Hα-helixtrans-58.5-35.2174.700000113.6M149M149-A153 WeakPolarHBondContact O-CB 3.48Å; M149-A153 PolarHBondContact O-N 2.94Å
154S61Low70.2Confident59 Ų5963.1 Ų63.141%0.41333%0.326SS..Hα-helixtrans-69.1-43.4173.8-166.50000112.2K150 Q151 Y152 I156 N157K150-S154 PolarHBondContact O-N 3.45Å; K150-S154 VanDerWaalsContact O-N 3.09Å; Q151-S154 PolarHBondContact O-N 3.5Å; Y152-S154 VanDerWaalsContact C-N 3.28Å; Y152-S154 PolarHBondContact O-N 3.14Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-I156 PolarHBondContact O-N 3Å; S154-N157 PolarHBondContact O-N 2.97Å
155S64.5Low71.9Confident58 Ų5865.2 Ų65.241%0.40633%0.333SS..Hα-helixtrans-64.5-35.5179.6-57.50000113Q151 Y152 N157 K158 G159Q151-S155 WeakPolarHBondContact O-CB 3.23Å; Q151-S155 PolarHBondContact O-N 2.92Å; Q151-S155 PolarHBondContact O-OG 3.31Å; Y152-S155 PolarHBondContact O-N 3.12Å; Y152-S155 VanDerWaalsContact O-N 3.1Å; S155-N157 VanDerWaalsContact C-N 3.28Å; S155-N157 PolarHBondContact O-N 3.46Å; S155-K158 PolarHBondContact O-N 2.78Å; S155-G159 PolarHBondContact O-N 2.7Å
156I65.4Low73.2Confident14 Ų1464.9 Ų64.97%0.07233%0.332CS..Hα-helixtrans-49.9-46.1175.8-76.7164.5000111.6Y5 R10 Y152 S154 G159Y5-I156 HydrophobicContact CE1-CD1 3.79Å; R10-I156 VanDerWaalsContact CZ-CG2 3.49Å; R10-I156 PolarHBondContact NH1-O 3.03Å; R10-I156 VanDerWaalsContact NH2-C 3.34Å; R10-I156 PolarHBondContact NH2-O 3.46Å; Y152-I156 HydrophobicContact CD1-CD1 3.56Å; Y152-I156 HydrophobicContact CD1-CG1 4.15Å; Y152-I156 HydrophobicContact CE1-CD1 3.33Å; Y152-I156 HydrophobicContact CE1-CG1 3.83Å; Y152-I156 WeakPolarHBondContact O-CG1 3.5Å; Y152-I156 PolarHBondContact O-N 3.08Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-I156 PolarHBondContact O-N 3Å; I156-G159 PolarHBondContact O-N 2.73Å
157N67.1Low74.6Confident100 Ų10058.4 Ų58.454%0.53530%0.304SS..Hα-helixtrans-68.3-44.6-176.6-73.4-27.3000112.7S154 S155 G159 K160 E161S154-N157 PolarHBondContact O-N 2.97Å; S155-N157 VanDerWaalsContact C-N 3.28Å; S155-N157 PolarHBondContact O-N 3.46Å; N157-G159 VanDerWaalsContact C-N 3.26Å; N157-G159 PolarHBondContact O-N 2.81Å; N157-K160 PolarHBondContact O-N 3.36Å; N157-K160 VanDerWaalsContact O-N 3.1Å; N157-E161 PolarHBondContact O-N 3.36Å
158K74.8Confident76.1Confident121 Ų12164.5 Ų64.553%0.52633%0.325SS..Hα-helixtrans-57.6-37.7177.4-63.8-176.8177.9-177.40112.5S155 K160 E161 I162S155-K158 PolarHBondContact O-N 2.78Å; K158-K160 PolarHBondContact O-N 3.32Å; K158-E161 PolarHBondContact O-N 3.18Å; K158-I162 WeakPolarHBondContact O-CD1 3.29Å; K158-I162 VanDerWaalsContact O-CG1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.39Å; K158-I162 PolarHBondContact O-N 2.98Å; K158-I162 VanDerWaalsContact O-N 3.07Å
159G79.1Confident77.6Confident26 Ų2665.5 Ų65.527%0.26832%0.324SS..Hα-helixtrans-57.3-34.117800000114S155 I156 N157S155-G159 PolarHBondContact O-N 2.7Å; I156-G159 PolarHBondContact O-N 2.73Å; N157-G159 VanDerWaalsContact C-N 3.26Å; N157-G159 PolarHBondContact O-N 2.81Å
160K82.3Confident79Confident82 Ų8262.1 Ų62.136%0.35731%0.308SS..Hα-helixtrans-71.6-48.2175.8-176.4-168.7165.3-1630111.2Y12 N157 K158 I162 I163 E164Y12-K160 HydrophobicContact CE1-CG 4.07Å; N157-K160 PolarHBondContact O-N 3.36Å; N157-K160 VanDerWaalsContact O-N 3.1Å; K158-K160 PolarHBondContact O-N 3.32Å; K160-I162 PolarHBondContact O-N 3.35Å; K160-I163 PolarHBondContact O-N 3.47Å; K160-I163 VanDerWaalsContact O-N 3.17Å; K160-E164 WeakPolarHBondContact CE-OE1 3.26Å; K160-E164 WeakPolarHBondContact CE-OE2 3.48Å; K160-E164 IonicContact NZ-OE1 3.74Å; K160-E164 PolarHBondContact NZ-OE1 3.41Å; K160-E164 IonicContact NZ-OE2 3.01Å; K160-E164 PolarHBondContact O-N 2.89Å
161E86.4Confident80.4Confident113 Ų11360.8 Ų60.853%0.52830%0.304SS..Hα-helixtrans-57.6-36.7-178.7-64.3170176.700111.7N157 K158 F165N157-E161 PolarHBondContact O-N 3.36Å; K158-E161 PolarHBondContact O-N 3.18Å; E161-F165 WeakPolarHBondContact O-CB 3.16Å; E161-F165 PolarHBondContact O-N 3.27Å
162I89.2Confident81.8Confident13 Ų1360.1 Ų60.17%0.06731%0.312CS..Hα-helixtrans-66.8-43.9177.3-67.7161.8000112.1R26 L32 I33 K158 K160 F165 Y166R26-I162 HydrophobicContact CG-CG2 4.1Å; L32-I162 HydrophobicContact CB-CD1 4.48Å; L32-I162 HydrophobicContact CB-CG1 3.94Å; L32-I162 HydrophobicContact CD1-CB 4.38Å; L32-I162 HydrophobicContact CD1-CG1 4.07Å; L32-I162 HydrophobicContact CD1-CG2 4.31Å; I33-I162 HydrophobicContact CD1-CD1 3.85Å; I33-I162 HydrophobicContact CG1-CD1 3.5Å; I33-I162 VanDerWaalsContact CG1-CD1 3.5Å; K158-I162 WeakPolarHBondContact O-CD1 3.29Å; K158-I162 VanDerWaalsContact O-CG1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.39Å; K158-I162 PolarHBondContact O-N 2.98Å; K158-I162 VanDerWaalsContact O-N 3.07Å; K160-I162 PolarHBondContact O-N 3.35Å; I162-F165 WeakPolarHBondContact O-CB 3.49Å; I162-F165 PolarHBondContact O-N 3.44Å; I162-Y166 HydrophobicContact CG2-CD2 3.94Å; I162-Y166 HydrophobicContact CG2-CE2 3.75Å; I162-Y166 WeakPolarHBondContact O-CD2 3.47Å; I162-Y166 PolarHBondContact O-N 2.9Å; I162-Y166 VanDerWaalsContact O-N 3.1Å
163I90.7Very high83.2Confident0 Ų063.6 Ų63.60%033%0.329CS..Hα-helixtrans-68.7-41.3177.3-62.5-62.8000110.5Y12 V19 A22 Y23 K160 F165 Y166 L167Y12-I163 HydrophobicContact CD1-CG2 4.07Å; Y12-I163 HydrophobicContact CE1-CB 3.9Å; Y12-I163 HydrophobicContact CE1-CG2 3.69Å; V19-I163 HydrophobicContact CG1-CG2 4.2Å; A22-I163 HydrophobicContact CB-CG2 4.45Å; Y23-I163 HydrophobicContact CD2-CD1 4.31Å; K160-I163 PolarHBondContact O-N 3.47Å; K160-I163 VanDerWaalsContact O-N 3.17Å; I163-F165 PolarHBondContact O-N 3.03Å; I163-Y166 PolarHBondContact O-N 3.46Å; I163-L167 HydrophobicContact CG2-CD1 3.9Å; I163-L167 HydrophobicContact CG2-CG 4.36Å; I163-L167 WeakPolarHBondContact O-CB 3.46Å; I163-L167 VanDerWaalsContact O-CG 3.26Å; I163-L167 WeakPolarHBondContact O-CG 3.35Å; I163-L167 PolarHBondContact O-N 3.29Å
164E89.9Confident84.4Confident72 Ų7263.8 Ų63.834%0.33634%0.336SS..Hα-helixtrans-66.4-22.5174-72.7-176.7160.700113.3K160 R168K160-E164 WeakPolarHBondContact CE-OE1 3.26Å; K160-E164 WeakPolarHBondContact CE-OE2 3.48Å; K160-E164 IonicContact NZ-OE1 3.74Å; K160-E164 PolarHBondContact NZ-OE1 3.41Å; K160-E164 IonicContact NZ-OE2 3.01Å; K160-E164 PolarHBondContact O-N 2.89Å; E164-R168 WeakPolarHBondContact O-CG 3.41Å; E164-R168 PolarHBondContact O-NE 2.72Å
165F92.6Very high85.9Confident67 Ų6763.3 Ų63.329%0.29433%0.331SS..Hα-helixtrans-72.1-55.9169.4178.6-87000111.3H31 L32 E161 I162 I163 L167 R168 E169H31-F165 AromaticContact CE1-CE1 3.85Å; H31-F165 AromaticContact NE2-CE1 3.88Å; H31-F165 AromaticContact NE2-CZ 3.84Å; L32-F165 HydrophobicContact CD1-CB 3.8Å; L32-F165 HydrophobicContact CD1-CD1 3.53Å; L32-F165 HydrophobicContact CD1-CD2 4.23Å; L32-F165 HydrophobicContact CD1-CE1 4.1Å; L32-F165 HydrophobicContact CD1-CG 3.6Å; E161-F165 WeakPolarHBondContact O-CB 3.16Å; E161-F165 PolarHBondContact O-N 3.27Å; I162-F165 WeakPolarHBondContact O-CB 3.49Å; I162-F165 PolarHBondContact O-N 3.44Å; I163-F165 PolarHBondContact O-N 3.03Å; F165-L167 VanDerWaalsContact C-N 3.27Å; F165-L167 PolarHBondContact O-N 2.96Å; F165-R168 WeakPolarHBondContact O-CB 3.49Å; F165-R168 PolarHBondContact O-N 3.32Å; F165-E169 WeakPolarHBondContact CE1-OE2 3.37Å; F165-E169 PolarHBondContact O-N 3.44Å
166Y93.6Very high87Confident8 Ų866.5 Ų66.53%0.03134%0.342CS..Hα-helixtrans-67-25.3-178-69.6-57.9000113.5A22 R25 R26 C30 L32 I162 I163 E169 L170A22-Y166 WeakPolarHBondContact O-CB 3.43Å; R25-Y166 HydrophobicContact CB-CD1 3.64Å; R25-Y166 HydrophobicContact CB-CD2 4.06Å; R25-Y166 HydrophobicContact CB-CE1 3.96Å; R25-Y166 HydrophobicContact CB-CE2 4.33Å; R25-Y166 HydrophobicContact CB-CG 3.71Å; R25-Y166 HydrophobicContact CG-CD1 4.26Å; R25-Y166 HydrophobicContact CG-CG 4.39Å; R26-Y166 HydrophobicContact CG-CD2 4.19Å; R26-Y166 HydrophobicContact CG-CE2 3.85Å; C30-Y166 PolarHBondContact SG-OH 3.04Å; C30-Y166 VanDerWaalsContact SG-OH 3.39Å; L32-Y166 HydrophobicContact CD1-CE2 4.5Å; I162-Y166 HydrophobicContact CG2-CD2 3.94Å; I162-Y166 HydrophobicContact CG2-CE2 3.75Å; I162-Y166 WeakPolarHBondContact O-CD2 3.47Å; I162-Y166 PolarHBondContact O-N 2.9Å; I162-Y166 VanDerWaalsContact O-N 3.1Å; I163-Y166 PolarHBondContact O-N 3.46Å; Y166-E169 PolarHBondContact O-N 3.1Å; Y166-L170 WeakPolarHBondContact O-CB 3.42Å; Y166-L170 WeakPolarHBondContact O-CG 3.31Å; Y166-L170 PolarHBondContact O-N 3.16Å
167L92.4Very high88.2Confident12 Ų1272.7 Ų72.76%0.06337%0.37CS..Hα-helixtrans-63.8-41.1168.9-76.2167000112.3H14 L18 A22 I163 F165 E171H14-L167 HydrophobicContact CB-CD1 4.47Å; H14-L167 HydrophobicContact CB-CD2 4.36Å; L18-L167 HydrophobicContact CB-CD2 4.06Å; A22-L167 HydrophobicContact CB-CD2 3.87Å; A22-L167 HydrophobicContact CB-CG 3.77Å; I163-L167 HydrophobicContact CG2-CD1 3.9Å; I163-L167 HydrophobicContact CG2-CG 4.36Å; I163-L167 WeakPolarHBondContact O-CB 3.46Å; I163-L167 VanDerWaalsContact O-CG 3.26Å; I163-L167 WeakPolarHBondContact O-CG 3.35Å; I163-L167 PolarHBondContact O-N 3.29Å; F165-L167 VanDerWaalsContact C-N 3.27Å; F165-L167 PolarHBondContact O-N 2.96Å; L167-E171 PolarHBondContact O-N 3.39Å
168R92.4Very high89.3Confident151 Ų15170.5 Ų70.557%0.5736%0.358SS*.Hα-helixtrans-70.8-33.5174.7-74.2177.5-72.7160.1-2.5112.3E164 F165 E171 S172E164-R168 WeakPolarHBondContact O-CG 3.41Å; E164-R168 PolarHBondContact O-NE 2.72Å; F165-R168 WeakPolarHBondContact O-CB 3.49Å; F165-R168 PolarHBondContact O-N 3.32Å; R168-E171 PolarHBondContact O-N 2.99Å; R168-S172 WeakPolarHBondContact O-CB 3.35Å; R168-S172 PolarHBondContact O-N 3.13Å
169E92.3Very high89.9Confident53 Ų5369.5 Ų69.525%0.24836%0.364CS..Hα-helixtrans-63.2-49.3173.7-162.3179.893.200110.8R25 F165 Y166 E171 S172 E173R25-E169 WeakPolarHBondContact CD-OE1 3.34Å; R25-E169 IonicContact CZ-OE1 2.72Å; R25-E169 IonicContact NE-OE1 3.7Å; R25-E169 IonicContact NH1-OE1 3.36Å; R25-E169 PolarHBondContact NH1-OE1 3.22Å; F165-E169 WeakPolarHBondContact CE1-OE2 3.37Å; F165-E169 PolarHBondContact O-N 3.44Å; Y166-E169 PolarHBondContact O-N 3.1Å; E169-E171 VanDerWaalsContact C-N 3.34Å; E169-E171 PolarHBondContact O-N 3.04Å; E169-S172 PolarHBondContact O-N 3.18Å; E169-S172 VanDerWaalsContact O-N 3.12Å; E169-S172 PolarHBondContact O-OG 2.95Å; E169-E173 PolarHBondContact O-N 3.03Å; E169-E173 VanDerWaalsContact O-N 3.08Å
170L93Very high90.4Very high8 Ų874.3 Ų74.34%0.04237%0.374CS..Hα-helixtrans-56.6-43.5173-78.4163.3000112.7A21 A22 R25 Y166 E173 G174 V175A21-L170 HydrophobicContact CB-CD1 4.01Å; A22-L170 HydrophobicContact CB-CD1 3.86Å; R25-L170 VanDerWaalsContact NH2-CD2 3.33Å; Y166-L170 WeakPolarHBondContact O-CB 3.42Å; Y166-L170 WeakPolarHBondContact O-CG 3.31Å; Y166-L170 PolarHBondContact O-N 3.16Å; L170-E173 PolarHBondContact O-N 3.08Å; L170-G174 PolarHBondContact O-N 3.37Å; L170-V175 HydrophobicContact CB-CB 4.26Å; L170-V175 HydrophobicContact CD2-CB 3.86Å; L170-V175 HydrophobicContact CD2-CG1 3.96Å; L170-V175 HydrophobicContact CD2-CG2 4.19Å; L170-V175 WeakPolarHBondContact O-CA 3.2Å; L170-V175 WeakPolarHBondContact O-CB 3.44Å; L170-V175 PolarHBondContact O-N 2.84Å
171E91.4Very high90.7Very high124 Ų12473.6 Ų73.658%0.57937%0.369SS*.Hα-helixtrans-62.4-41.3175.5-176.7172.9-146.200111.8L167 R168 E169 E173 G174 I176L167-E171 PolarHBondContact O-N 3.39Å; R168-E171 PolarHBondContact O-N 2.99Å; E169-E171 VanDerWaalsContact C-N 3.34Å; E169-E171 PolarHBondContact O-N 3.04Å; E171-E173 PolarHBondContact O-N 2.93Å; E171-G174 PolarHBondContact O-N 2.99Å; E171-I176 HydrophobicContact CG-CG2 4.46Å
172S92.3Very high90.5Very high98 Ų9873.1 Ų73.169%0.68537%0.374SS*.Hα-helixtrans-66.3-25.2177.177.60000113.9R168 E169 G174R168-S172 WeakPolarHBondContact O-CB 3.35Å; R168-S172 PolarHBondContact O-N 3.13Å; E169-S172 PolarHBondContact O-N 3.18Å; E169-S172 VanDerWaalsContact O-N 3.12Å; E169-S172 PolarHBondContact O-OG 2.95Å; S172-G174 VanDerWaalsContact C-N 3.32Å
173E92.7Very high89.9Confident109 Ų10976.2 Ų76.251%0.50940%0.396SS..THydrogen-bonded Turntrans-85.8-1.7171.9-69.1174.7-155.700113.4R25 E169 L170 E171 V175R25-E173 IonicContact CZ-OE1 3.7Å; R25-E173 IonicContact CZ-OE2 3.21Å; R25-E173 IonicContact NH1-OE1 2.69Å; R25-E173 PolarHBondContact NH1-OE1 3.44Å; R25-E173 IonicContact NH1-OE2 3.29Å; R25-E173 IonicContact NH2-OE1 3.27Å; R25-E173 PolarHBondContact NH2-OE1 2.82Å; R25-E173 IonicContact NH2-OE2 2.75Å; R25-E173 PolarHBondContact NH2-OE2 2.65Å; E169-E173 PolarHBondContact O-N 3.03Å; E169-E173 VanDerWaalsContact O-N 3.08Å; L170-E173 PolarHBondContact O-N 3.08Å; E171-E173 PolarHBondContact O-N 2.93Å; E173-V175 HydrophobicContact CB-CG2 4.41Å
174G90.3Very high88.5Confident52 Ų5281.9 Ų81.954%0.53644%0.435SS..THydrogen-bonded Turntrans847.6-178.600000115.1L170 E171 S172 I176L170-G174 PolarHBondContact O-N 3.37Å; E171-G174 PolarHBondContact O-N 2.99Å; S172-G174 VanDerWaalsContact C-N 3.32Å; G174-I176 VanDerWaalsContact C-N 3.25Å; G174-I176 PolarHBondContact O-N 3.47Å
175V90.7Very high86.6Confident48 Ų4883 Ų8329%0.29145%0.451SS..  trans-82.270.2178-169.90000110.3L18 L170 E173 I178L18-V175 HydrophobicContact CD2-CG1 4.4Å; L18-V175 WeakPolarHBondContact CD2-O 3.41Å; L170-V175 HydrophobicContact CB-CB 4.26Å; L170-V175 HydrophobicContact CD2-CB 3.86Å; L170-V175 HydrophobicContact CD2-CG1 3.96Å; L170-V175 HydrophobicContact CD2-CG2 4.19Å; L170-V175 WeakPolarHBondContact O-CA 3.2Å; L170-V175 WeakPolarHBondContact O-CB 3.44Å; L170-V175 PolarHBondContact O-N 2.84Å; E173-V175 HydrophobicContact CB-CG2 4.41Å; V175-I178 HydrophobicContact CG1-CD1 4.11Å; V175-I178 HydrophobicContact CG1-CG1 3.97Å
176I88Confident84.1Confident125 Ų12586.2 Ų86.264%0.64148%0.476SS*.  trans-87.2-9.2-179.562171.4000114.2E171 G174E171-I176 HydrophobicContact CG-CG2 4.46Å; G174-I176 VanDerWaalsContact C-N 3.25Å; G174-I176 PolarHBondContact O-N 3.47Å
177H90.3Very high81.3Confident144 Ų14491.2 Ų91.267%0.66751%0.513SS*.  trans-153135.9-179.6-174.8-58.1000110.6
178I90.3Very high78.9Confident54 Ų5496.4 Ų96.428%0.27755%0.547SS..  trans-121.4129.4170-68.1174.2000108.5E17 L18 A21 V175E17-I178 HydrophobicContact CB-CB 3.92Å; E17-I178 HydrophobicContact CB-CG2 3.97Å; L18-I178 HydrophobicContact CD2-CD1 3.96Å; L18-I178 HydrophobicContact CD2-CG1 3.9Å; A21-I178 HydrophobicContact CB-CD1 3.37Å; V175-I178 HydrophobicContact CG1-CD1 4.11Å; V175-I178 HydrophobicContact CG1-CG1 3.97Å
179P88.6Confident76.2Confident101 Ų10194.1 Ų94.166%0.65656%0.56SS**PPolyproline II helixtrans-66.7145-176.827.3-34.6000112.3
180R89.3Confident73.6Confident126 Ų12699.3 Ų99.348%0.47559%0.589SS.*PPolyproline II helixtrans-66.2149.3172.4-63-173.8-177.1-176.11.5110.2E121E121-R180 IonicContact OE2-CZ 3.19Å; E121-R180 IonicContact OE2-NH1 3.53Å; E121-R180 PolarHBondContact OE2-NH1 2.69Å; E121-R180 IonicContact OE2-NH2 2.73Å; E121-R180 PolarHBondContact OE2-NH2 2.68Å
181W88.2Confident71.3Confident67 Ų67104.9 Ų104.925%0.25463%0.625SS.*PPolyproline II helixtrans-65.7143.8174.5174.793000111.5D49 G50 A51 R88 K89 C183D49-W181 HydrophobicContact CB-CZ2 4.45Å; D49-W181 WeakPolarHBondContact O-CZ2 3.3Å; G50-W181 PolarHBondContact O-NE1 3.4Å; A51-W181 HydrophobicContact CB-CD2 4.35Å; A51-W181 HydrophobicContact CB-CH2 3.87Å; A51-W181 HydrophobicContact CB-CZ2 3.63Å; A51-W181 HydrophobicContact CB-CZ3 4.34Å; R88-W181 HydrophobicContact CB-CB 3.63Å; R88-W181 HydrophobicContact CB-CG 3.98Å; K89-W181 HydrophobicContact CB-CE3 4.08Å; K89-W181 HydrophobicContact CB-CZ3 3.95Å; K89-W181 HydrophobicContact CD-CZ3 4.28Å; K89-W181 HydrophobicContact CG-CZ3 4.11Å; W181-C183 HydrophobicContact CH2-CB 3.64Å; W181-C183 HydrophobicContact CZ2-CB 4.2Å; W181-C183 HydrophobicContact CZ3-CB 4.21Å
182T83.4Confident68.5Low104 Ų104103.5 Ų103.564%0.63864%0.635SS**  trans-133140.7177540000109.8S184T182-S184 PolarHBondContact O-N 2.7Å
183C75.8Confident65.8Low78 Ų78104.9 Ų104.953%0.52764%0.642SS.*  trans-68.6118.8178.9-170.20000111.4W181 S185W181-C183 HydrophobicContact CH2-CB 3.64Å; W181-C183 HydrophobicContact CZ2-CB 4.2Å; W181-C183 HydrophobicContact CZ3-CB 4.21Å; C183-S185 PolarHBondContact O-N 3.16Å; C183-S185 VanDerWaalsContact O-N 3.08Å
184S61.7Low62.9Low118 Ų118104.8 Ų104.883%0.82565%0.653SS**  trans-83.773.2178.4-66.60000111.8T182T182-S184 PolarHBondContact O-N 2.7Å
185S50Low60Low96 Ų96107 Ų10767%0.67166%0.66SS**  trans-11956175.972.10000113.1C183C183-S185 PolarHBondContact O-N 3.16Å; C183-S185 VanDerWaalsContact O-N 3.08Å
186V39.4Very low57.1Low135 Ų135112.7 Ų112.782%0.81869%0.688SS**  trans-140.8103.3165-174.30000109.9
187S34Very low54.2Low113 Ų113111.9 Ų111.979%0.7969%0.694SS**PPolyproline II helixtrans-74.4139160-64.70000109.1A189S187-A189 PolarHBondContact O-N 2.78Å
188P43.2Very low51.2Low120 Ų120109 Ų10978%0.77970%0.695SS**PPolyproline II helixtrans-68.4125.5-178.825.6-31000110.8L190P188-L190 PolarHBondContact O-N 2.8Å
189A36.2Very low48.1Very low103 Ų103111.6 Ų111.685%0.85172%0.718SS**PPolyproline II helixtrans-67.9118.517600000110.6S187S187-A189 PolarHBondContact O-N 2.78Å
190L36.1Very low46.1Very low163 Ų163112.5 Ų112.585%0.85372%0.724SS**PPolyproline II helixtrans-77.2144166.8-80.3164.9000110.1P188P188-L190 PolarHBondContact O-N 2.8Å
191P46.6Very low43.7Very low124 Ų124112.2 Ų112.281%0.80574%0.738SS**PPolyproline II helixtrans-79.3143.4-174.531.8-35000112.5
192A31Very low40.8Very low95 Ų95117.2 Ų117.279%0.78576%0.764SS**  trans-115.8149.8168.900000110.6
193P37.1Very low38.2Very low128 Ų128119.1 Ų119.183%0.83177%0.77SS**  trans-91.1168.7-15935.6-37000115.8
194S31.4Very low35.8Very low107 Ų107123.8 Ų123.875%0.74878%0.784SS**  trans-60.4147-177.653.80000116.9
195S28.6Very low34.1Very low97 Ų97127.1 Ų127.168%0.67879%0.786SS**  157.4154.897.961.30000115.3
196L30.3Very low33.6Very low169 Ų169127.9 Ų127.989%0.88579%0.789SS**  trans70.7142.3162.8-60.6164.4000117.3
197S27.4Very low33Very low107 Ų107126.8 Ų126.875%0.74879%0.787SS**  cis-160.3152.49.549.90000115.2
198A27.7Very low32.6Very low85 Ų85125.5 Ų125.570%0.70278%0.784SS**  trans73.190.7145.200000123.2
199S24.8Very low32.7Very low108 Ų108125.5 Ų125.576%0.75578%0.784SS**  32.4162110.464.60000123.2
200P45Very low32.3Very low119 Ų119124.8 Ų124.877%0.77378%0.778SS**  cis-123.2-141.3-20.137.2-15.7000108.6
201P39.4Very low31.8Very low120 Ų120123.9 Ų123.978%0.77978%0.778SS**  cis-123.9-144.1-8.243.9-25000114.5
202E27.9Very low30.9Very low173 Ų173122.9 Ų122.981%0.80877%0.774SS**  trans-109.8164.2-162.2-56.3166.8101.200114.4
203L28.2Very low30.8Very low143 Ų143124.2 Ų124.275%0.74977%0.772SS**  179.9131.9107.3-89.7161.9000114.2
204Q26.5Very low30.2Very low176 Ų176123.3 Ų123.382%0.82277%0.769SS**  trans76109.9144.4-69.5171.8-0.300123.8
205H25.6Very low30.2Very low188 Ų188126.7 Ų126.787%0.8777%0.773SS**  trans-65177141.6-84-70.7000111.9
206P39.3Very low30.4Very low113 Ų113128.4 Ų128.473%0.73478%0.782SS**  cis-126.3-158.113.930.1-4000112.3
207S27.5Very low30.3Very low111 Ų111124.3 Ų124.378%0.77677%0.772SS**  cis-156.1-176.314.9-31.10000112.8
208A24.6Very low30.4Very low87 Ų87127 Ų12772%0.71978%0.778SS**  trans-130.6-162.2165.900000108.8
209P46Very low30.5Very low120 Ų120126.4 Ų126.478%0.77977%0.774SS**  cis-139.9-175.6-16.841.1-22.6000115.7
210A26.9Very low30.7Very low88 Ų88129.9 Ų129.973%0.72778%0.775SS**  trans86.5156.3135.600000124.5
211V26.9Very low30Very low143 Ų143130.8 Ų130.887%0.86777%0.774SS**  trans104.5128.3155.2-1680000118.1
212S27.8Very low29.4Very low103 Ų103128.2 Ų128.272%0.7277%0.769SS**  trans-93.2178.9-18045.10000112.7
213V27.2Very low29.4Very low123 Ų123124.5 Ų124.575%0.74577%0.768SS**  trans153.6143.6131.1162.60000114.2
214S25.2Very low29.4Very low110 Ų110122.9 Ų122.977%0.76977%0.768SS**  trans72.5131.8152.764.50000123.8
215Q30.7Very low29.4Very low178 Ų178122.3 Ų122.383%0.83277%0.766SS**  trans-75.8175.8147.1-61.3174.8-46.700110.6
216P34.4Very low29.4Very low133 Ų133122 Ų12286%0.86477%0.765SS**  -139.9177.5103.736.2-22.6000114.6
217A27.5Very low28.8Very low82 Ų82121.2 Ų121.268%0.67877%0.768SS**  trans-114.4175.9-177.400000112.3
218D29.2Very low28.8Very low163 Ų163125.9 Ų125.987%0.87277%0.774SS**  trans138.8147.1152.8-77.9-20.5000112.3
219A29.5Very low28.9Very low74 Ų74130.9 Ų130.961%0.61278%0.782SS**  cis-172149-20.700000110.6
220K30.4Very low27.9Very low180 Ų180132.8 Ų132.878%0.78379%0.786SS**  trans65159.5147-73.3179.2155.9-144.20120.1
221D28.9Very low28Very low139 Ų139134 Ų13474%0.74379%0.789SS**  cis-150.8160.1-10.3-97.2-36.5000105.5
222G26.5Very low27.9Very low66 Ų66130.9 Ų130.968%0.6879%0.786SS**  cis178-173.5-1.700000113.3
223A29.1Very low27.9Very low94 Ų94130.2 Ų130.278%0.77779%0.786SS**  trans70.295.6154.100000119.5
224S27Very low28.1Very low109 Ų109130.6 Ų130.676%0.76279%0.792SS**  80.4132.587.369.50000114
225Q27.7Very low28.2Very low165 Ų165133.4 Ų133.477%0.77179%0.792SS**  cis-148.1152.146.2-77.3176.5-61.900115.7
226E26Very low28.2Very low182 Ų182129.3 Ų129.385%0.8579%0.789SS**  trans58.1128.9142.4-65.1-178.3178.500122.3
227A26Very low27.9Very low96 Ų96127.7 Ų127.779%0.79377%0.773SS**  trans-117.5158.9175.300000110.5
228K26.8Very low28.1Very low209 Ų209128.8 Ų128.891%0.90978%0.776SS**  trans-150.6143.6141.3-116.4169.7-173.6177.30111.3
229Q27.1Very low28.2Very low191 Ų191127.6 Ų127.689%0.89377%0.769SS**  trans-71151.1179.3-62.8151.8-54.300110.2
230D24.6Very low28.2Very low161 Ų161128.9 Ų128.986%0.86177%0.769SS**  trans-144.4155.9135-146.3-14.3000111.2
231S29Very low28.2Very low113 Ų113128.8 Ų128.879%0.7977%0.771SS**  trans-114.8125-175.452.40000110.4
232G25.1Very low28.7Very low77 Ų77128.6 Ų128.679%0.79477%0.769SS**  trans-165.1137.8177.200000112.9
233A28.1Very low29.1Very low89 Ų89132.3 Ų132.374%0.73677%0.772SS**PPolyproline II helixtrans-72.2154.3175.100000111.5Q235A233-Q235 PolarHBondContact O-N 2.91Å
234P30.3Very low29.4Very low132 Ų132132.1 Ų132.186%0.85777%0.771SS**PPolyproline II helixtrans-67.7125.4179.127.2-33.7000111.6
235Q28Very low29.7Very low168 Ų168129.4 Ų129.479%0.78576%0.76SS**PPolyproline II helixtrans-77.3151-179.2-74.8172.1-66.800113.2A233 D237A233-Q235 PolarHBondContact O-N 2.91Å; Q235-D237 VanDerWaalsContact C-N 3.3Å; Q235-D237 PolarHBondContact O-N 2.87Å
236A30.6Very low30.2Very low92 Ų92125.7 Ų125.776%0.7675%0.749SS**SBendtrans-88.926.5-176.100000114.4
237D27.6Very low31Very low99 Ų99122.8 Ų122.853%0.52975%0.746SS.*G310 helixtrans-85.3-7.8-167.9-70-47.3000115.2Q235 L239 V240Q235-D237 VanDerWaalsContact C-N 3.3Å; Q235-D237 PolarHBondContact O-N 2.87Å; D237-L239 PolarHBondContact O-N 3.04Å; D237-L239 VanDerWaalsContact O-N 3.09Å; D237-V240 PolarHBondContact O-N 3.02Å
238S31.9Very low31.8Very low106 Ų106127.1 Ų127.174%0.74175%0.75SS**G310 helixtrans-68.2-7.5-178.3-1740000115.4
239L31.3Very low33.1Very low138 Ų138119.4 Ų119.472%0.72372%0.718SS**G310 helixtrans-101-14.9-176.6-80.2165.7000114.2D237D237-L239 PolarHBondContact O-N 3.04Å; D237-L239 VanDerWaalsContact O-N 3.09Å
240V30.5Very low34.6Very low101 Ų101117.8 Ų117.861%0.61271%0.708SS**THydrogen-bonded Turntrans-88.4-34.5-172.1-175.50000112.2D237 I242 L243D237-V240 PolarHBondContact O-N 3.02Å; V240-I242 PolarHBondContact O-N 3.16Å; V240-L243 PolarHBondContact O-N 3.31Å
241E30.4Very low36.6Very low178 Ų178111.4 Ų111.483%0.83267%0.674SS**G310 helixtrans-69.6-12.7-179.5-74.7-168.1134.500114.7L243E241-L243 VanDerWaalsContact C-N 3.27Å; E241-L243 PolarHBondContact O-N 3.43Å
242I38.2Very low39Very low134 Ų134110.9 Ų110.969%0.68766%0.662SS**G310 helixtrans-79.4-9.8176.9-61.7176.8000112V240V240-I242 PolarHBondContact O-N 3.16Å
243L35.9Very low41.3Very low144 Ų144110.7 Ų110.775%0.75465%0.653SS**G310 helixtrans-100.9-5.7-173.4-69.7168.6000115.2V240 E241 G245V240-L243 PolarHBondContact O-N 3.31Å; E241-L243 VanDerWaalsContact C-N 3.27Å; E241-L243 PolarHBondContact O-N 3.43Å; L243-G245 PolarHBondContact O-N 3.33Å
244A34.3Very low43.6Very low90 Ų90112.4 Ų112.474%0.74465%0.65SS**  trans-90.771.8-176.300000113
245G34.8Very low46.2Very low53 Ų53109.5 Ų109.555%0.54662%0.622SS.*  trans-66.3143.5168.100000112.4L243L243-G245 PolarHBondContact O-N 3.33Å
246T37Very low48.6Very low87 Ų87102.3 Ų102.353%0.53459%0.589SS.*  trans-63.1151.9176.723.40000112.3E248 D249T246-E248 PolarHBondContact O-N 3.1Å; T246-D249 PolarHBondContact O-N 3.36Å; T246-D249 PolarHBondContact OG1-OD2 3.28Å
247P42.8Very low51Low120 Ų120104.6 Ų104.678%0.77958%0.582SS**THydrogen-bonded Turntrans-58.8-23.4-174.4-26.135.3000115.3
248E44.2Very low53.6Low188 Ų188105.5 Ų105.588%0.87958%0.578SS**THydrogen-bonded Turntrans-80.8-12.7178.8-61.1-177.4149.600114T246T246-E248 PolarHBondContact O-N 3.1Å
249D52.9Low56Low47 Ų47103.6 Ų103.625%0.25156%0.555SS.*SBendtrans-87.7-14-178.9-82.6-51.3000113.6T246 I272T246-D249 PolarHBondContact O-N 3.36Å; T246-D249 PolarHBondContact OG1-OD2 3.28Å; D249-I272 HydrophobicContact CB-CG2 4.38Å; D249-I272 VanDerWaalsContact O-CD1 3.27Å; D249-I272 WeakPolarHBondContact O-CD1 3.4Å
250K59.2Low58.6Low156 Ų15697.2 Ų97.268%0.67852%0.522SS*.SBendtrans-78.4135.7-178.9-73-174.5171.7-179.40111.5
251L67.4Low61.2Low28 Ų2892.9 Ų92.915%0.14750%0.498CS..PPolyproline II helixtrans-75.6141.6170.5-80.1174000109.6A253 Y255 I256 L260 E268 L271L251-A253 PolarHBondContact O-N 3.05Å; L251-Y255 HydrophobicContact CB-CD1 4.49Å; L251-Y255 HydrophobicContact CD1-CE1 4.33Å; L251-Y255 HydrophobicContact CD2-CD1 3.86Å; L251-Y255 HydrophobicContact CD2-CE1 3.73Å; L251-I256 HydrophobicContact CB-CD1 3.72Å; L251-I256 HydrophobicContact CB-CG1 3.62Å; L251-I256 HydrophobicContact CD1-CG1 4.36Å; L251-L260 HydrophobicContact CD1-CD1 3.76Å; L251-E268 PolarHBondContact N-OE1 3.02Å; L251-L271 HydrophobicContact CD1-CD2 3.95Å
252D78.9Confident63.8Low101 Ų10191.2 Ų91.254%0.5449%0.494SS..PPolyproline II helixtrans-61.4132.2176.2-179.8-66.9000110D254 Y255 I256D252-D254 VanDerWaalsContact C-N 3.31Å; D252-D254 PolarHBondContact O-N 2.95Å; D252-D254 WeakPolarHBondContact OD1-CA 3.44Å; D252-D254 WeakPolarHBondContact OD1-CB 3.45Å; D252-D254 PolarHBondContact OD1-N 3.42Å; D252-Y255 WeakPolarHBondContact O-CA 3.35Å; D252-Y255 WeakPolarHBondContact O-CB 3.4Å; D252-Y255 PolarHBondContact O-N 2.96Å; D252-Y255 VanDerWaalsContact O-N 3.09Å; D252-Y255 PolarHBondContact OD1-N 2.98Å; D252-Y255 VanDerWaalsContact OD1-N 3.16Å; D252-I256 WeakPolarHBondContact O-CG1 3.31Å; D252-I256 PolarHBondContact O-N 2.9Å
253A73.8Confident66.1Low73 Ų7386.2 Ų86.260%0.60347%0.469SS*.Hα-helixtrans-64.8-33.2-173.600000113L251 K257L251-A253 PolarHBondContact O-N 3.05Å; A253-K257 WeakPolarHBondContact O-CB 3.06Å; A253-K257 PolarHBondContact O-N 2.89Å
254D76Confident68.6Low125 Ų12582.6 Ų82.667%0.66845%0.453SS*.Hα-helixtrans-74-32.8174.7-71.8-27.9000110.8D252 R258D252-D254 VanDerWaalsContact C-N 3.31Å; D252-D254 PolarHBondContact O-N 2.95Å; D252-D254 WeakPolarHBondContact OD1-CA 3.44Å; D252-D254 WeakPolarHBondContact OD1-CB 3.45Å; D252-D254 PolarHBondContact OD1-N 3.42Å; D254-R258 WeakPolarHBondContact O-CB 3.26Å; D254-R258 PolarHBondContact O-N 2.64Å
255Y84.2Confident71.1Confident71 Ų7183.5 Ų83.528%0.27845%0.451SS..Hα-helixtrans-64-50.2169.8171-97.9000112.1L251 D252 K257 R258 Y259 L260 D289L251-Y255 HydrophobicContact CB-CD1 4.49Å; L251-Y255 HydrophobicContact CD1-CE1 4.33Å; L251-Y255 HydrophobicContact CD2-CD1 3.86Å; L251-Y255 HydrophobicContact CD2-CE1 3.73Å; D252-Y255 WeakPolarHBondContact O-CA 3.35Å; D252-Y255 WeakPolarHBondContact O-CB 3.4Å; D252-Y255 PolarHBondContact O-N 2.96Å; D252-Y255 VanDerWaalsContact O-N 3.09Å; D252-Y255 PolarHBondContact OD1-N 2.98Å; D252-Y255 VanDerWaalsContact OD1-N 3.16Å; Y255-K257 PolarHBondContact O-N 3.46Å; Y255-R258 PolarHBondContact O-N 3.33Å; Y255-Y259 AromaticContact CD2-CD2 3.36Å; Y255-Y259 HydrophobicContact CD2-CD2 3.36Å; Y255-Y259 AromaticContact CD2-CE2 3.92Å; Y255-Y259 HydrophobicContact CD2-CE2 3.92Å; Y255-Y259 HydrophobicContact CD2-CG 4.2Å; Y255-Y259 AromaticContact CE2-CD2 3.63Å; Y255-Y259 HydrophobicContact CE2-CD2 3.63Å; Y255-Y259 HydrophobicContact CE2-CE2 4.33Å; Y255-Y259 HydrophobicContact CE2-CG 4.04Å; Y255-Y259 HydrophobicContact CG-CD2 4.2Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.27Å; Y255-Y259 PolarHBondContact O-N 2.85Å; Y255-L260 HydrophobicContact CD1-CD1 4.49Å; Y255-L260 HydrophobicContact CE1-CD1 3.94Å; Y255-L260 HydrophobicContact CE1-CG 4.24Å; Y255-D289 PolarHBondContact OH-OD2 2.83Å
256I78.8Confident73.6Confident18 Ų1886.8 Ų86.89%0.09246%0.456CS..Iπ-helixtrans-53.4-56177.2-67170.4000109.2L251 D252 R258 Y259 L260 G261 L263 E268L251-I256 HydrophobicContact CB-CD1 3.72Å; L251-I256 HydrophobicContact CB-CG1 3.62Å; L251-I256 HydrophobicContact CD1-CG1 4.36Å; D252-I256 WeakPolarHBondContact O-CG1 3.31Å; D252-I256 PolarHBondContact O-N 2.9Å; I256-R258 VanDerWaalsContact C-N 3.29Å; I256-R258 PolarHBondContact O-N 2.84Å; I256-Y259 PolarHBondContact O-N 2.84Å; I256-L260 HydrophobicContact CG1-CD1 4.44Å; I256-L260 HydrophobicContact CG2-CB 4.43Å; I256-L260 CarbonylContact O-C 2.97Å; I256-L260 WeakPolarHBondContact O-CA 3.48Å; I256-L260 WeakPolarHBondContact O-CB 3.35Å; I256-L260 PolarHBondContact O-N 3.39Å; I256-G261 WeakPolarHBondContact CG2-O 3.48Å; I256-G261 PolarHBondContact O-N 2.92Å; I256-L263 HydrophobicContact CG2-CB 4.23Å; I256-L263 HydrophobicContact CG2-CD1 4.17Å; I256-L263 HydrophobicContact CG2-CG 4.11Å; I256-E268 HydrophobicContact CD1-CG 4.05Å
257K80.1Confident76.2Confident140 Ų14085 Ų8561%0.60944%0.441SS*.Iπ-helixtrans-60.1-36.3-177-171.3175.2-176176.80113.2A253 Y255 P400A253-K257 WeakPolarHBondContact O-CB 3.06Å; A253-K257 PolarHBondContact O-N 2.89Å; Y255-K257 PolarHBondContact O-N 3.46Å; K257-P400 WeakPolarHBondContact O-CD 3.17Å
258R82.4Confident78.4Confident118 Ų11881 Ų8145%0.44541%0.412SS..Iπ-helixtrans-81-34.4-176.8-175.2171.3178.4165.73.5114.2D254 Y255 I256 R399 P400D254-R258 WeakPolarHBondContact O-CB 3.26Å; D254-R258 PolarHBondContact O-N 2.64Å; Y255-R258 PolarHBondContact O-N 3.33Å; I256-R258 VanDerWaalsContact C-N 3.29Å; I256-R258 PolarHBondContact O-N 2.84Å; R258-R399 CarbonylContact O-C 3.56Å; R258-P400 WeakPolarHBondContact O-CD 3.2Å
259Y83.1Confident80.5Confident65 Ų6574.2 Ų74.226%0.25539%0.386SS..Iπ-helixtrans-118.7-28-170.7-62.1-77.2000114.5Y255 I256 T394Y255-Y259 AromaticContact CD2-CD2 3.36Å; Y255-Y259 HydrophobicContact CD2-CD2 3.36Å; Y255-Y259 AromaticContact CD2-CE2 3.92Å; Y255-Y259 HydrophobicContact CD2-CE2 3.92Å; Y255-Y259 HydrophobicContact CD2-CG 4.2Å; Y255-Y259 AromaticContact CE2-CD2 3.63Å; Y255-Y259 HydrophobicContact CE2-CD2 3.63Å; Y255-Y259 HydrophobicContact CE2-CE2 4.33Å; Y255-Y259 HydrophobicContact CE2-CG 4.04Å; Y255-Y259 HydrophobicContact CG-CD2 4.2Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.27Å; Y255-Y259 PolarHBondContact O-N 2.85Å; I256-Y259 PolarHBondContact O-N 2.84Å; Y259-T394 HydrophobicContact CD1-CG2 3.76Å; Y259-T394 HydrophobicContact CE1-CG2 4.17Å
260L85.8Confident82.4Confident4 Ų472.4 Ų72.42%0.02138%0.377CS..Iπ-helixtrans-107.3-22.5-177-52.8-177.2000113.1L251 Y255 I256 L263 L271 D289 E290 L293 R297L251-L260 HydrophobicContact CD1-CD1 3.76Å; Y255-L260 HydrophobicContact CD1-CD1 4.49Å; Y255-L260 HydrophobicContact CE1-CD1 3.94Å; Y255-L260 HydrophobicContact CE1-CG 4.24Å; I256-L260 HydrophobicContact CG1-CD1 4.44Å; I256-L260 HydrophobicContact CG2-CB 4.43Å; I256-L260 CarbonylContact O-C 2.97Å; I256-L260 WeakPolarHBondContact O-CA 3.48Å; I256-L260 WeakPolarHBondContact O-CB 3.35Å; I256-L260 PolarHBondContact O-N 3.39Å; L260-L263 HydrophobicContact CB-CD1 4.12Å; L260-L263 HydrophobicContact CD1-CD1 4.12Å; L260-L271 HydrophobicContact CD1-CD2 3.69Å; L260-D289 HydrophobicContact CD1-CB 4.23Å; L260-D289 HydrophobicContact CD2-CB 3.74Å; L260-E290 HydrophobicContact CD2-CG 3.98Å; L260-L293 HydrophobicContact CB-CD2 3.92Å; L260-L293 HydrophobicContact CD2-CD2 4.17Å; L260-R297 PolarHBondContact O-NH2 3.26Å
261G85.4Confident84Confident11 Ų1165 Ų6511%0.11334%0.344CS..  trans85.9-165.3-172.300000111.8I256 L263I256-G261 WeakPolarHBondContact CG2-O 3.48Å; I256-G261 PolarHBondContact O-N 2.92Å; G261-L263 PolarHBondContact O-N 2.95Å
262D84.8Confident85.2Confident142 Ų14264.8 Ų64.876%0.75934%0.343SS*.  trans-75.3120.6177.9-59.2-47.8000109.9
263L87Confident85.8Confident29 Ų2967.3 Ų67.315%0.15235%0.345CS..  trans-116.1137174-62.8-178000109.5I256 L260 G261 Q267 L271 L293I256-L263 HydrophobicContact CG2-CB 4.23Å; I256-L263 HydrophobicContact CG2-CD1 4.17Å; I256-L263 HydrophobicContact CG2-CG 4.11Å; L260-L263 HydrophobicContact CB-CD1 4.12Å; L260-L263 HydrophobicContact CD1-CD1 4.12Å; G261-L263 PolarHBondContact O-N 2.95Å; L263-Q267 HydrophobicContact CB-CB 4.24Å; L263-Q267 HydrophobicContact CD2-CB 4.24Å; L263-L271 HydrophobicContact CD1-CD2 4.17Å; L263-L293 HydrophobicContact CD1-CD2 4.4Å; L263-L293 HydrophobicContact CD2-CD1 3.88Å; L263-L293 HydrophobicContact CD2-CD2 4.09Å
264T88.5Confident86.7Confident69 Ų6963.8 Ų63.842%0.42332%0.316SS..  trans-72.4157.9167.773.70000110.2L266 Q267 E268T264-L266 PolarHBondContact O-N 3.34Å; T264-L266 VanDerWaalsContact O-N 3.09Å; T264-Q267 WeakPolarHBondContact O-CA 3.35Å; T264-Q267 WeakPolarHBondContact O-CB 3.45Å; T264-Q267 PolarHBondContact O-N 3.3Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.42Å; T264-Q267 PolarHBondContact OG1-N 3.06Å; T264-E268 PolarHBondContact O-N 3.38Å
265P86.3Confident87.6Confident108 Ų10859.7 Ų59.770%0.70129%0.291SS*.Hα-helixtrans-55.7-30.2177.5-27.835.9000113.9S269P265-S269 VanDerWaalsContact O-CB 3.29Å; P265-S269 WeakPolarHBondContact O-CB 3.48Å; P265-S269 PolarHBondContact O-N 2.95Å
266L87.1Confident87.9Confident122 Ų12260.6 Ų60.664%0.63930%0.297SS*.Hα-helixtrans-68.2-45173.2179.262.4000111.7T264 S269 C270T264-L266 PolarHBondContact O-N 3.34Å; T264-L266 VanDerWaalsContact O-N 3.09Å; L266-S269 PolarHBondContact O-N 3.43Å; L266-C270 PolarHBondContact O-N 3.35Å; L266-C270 PolarHBondContact O-SG 2.62Å; L266-C270 VanDerWaalsContact O-SG 3.34Å
267Q91.3Very high88.6Confident50 Ų5062.2 Ų62.223%0.23430%0.302CS..Hα-helixtrans-66.2-40.1179.2-68.6172.1-23.800112L263 T264 C270 L271 F301L263-Q267 HydrophobicContact CB-CB 4.24Å; L263-Q267 HydrophobicContact CD2-CB 4.24Å; T264-Q267 WeakPolarHBondContact O-CA 3.35Å; T264-Q267 WeakPolarHBondContact O-CB 3.45Å; T264-Q267 PolarHBondContact O-N 3.3Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.42Å; T264-Q267 PolarHBondContact OG1-N 3.06Å; Q267-C270 PolarHBondContact O-N 3.06Å; Q267-L271 PolarHBondContact O-N 2.88Å; Q267-F301 HydrophobicContact CB-CD1 3.89Å; Q267-F301 HydrophobicContact CB-CE1 3.49Å; Q267-F301 VanDerWaalsContact CB-CE1 3.49Å; Q267-F301 HydrophobicContact CB-CZ 3.84Å; Q267-F301 HydrophobicContact CG-CD1 3.77Å; Q267-F301 HydrophobicContact CG-CD2 3.94Å; Q267-F301 HydrophobicContact CG-CE1 3.58Å; Q267-F301 HydrophobicContact CG-CE2 3.76Å; Q267-F301 HydrophobicContact CG-CG 3.95Å; Q267-F301 HydrophobicContact CG-CZ 3.57Å
268E89.6Confident89.1Confident36 Ų3655.7 Ų55.717%0.16827%0.273CS..Hα-helixtrans-61.5-48172.4-164.4-161.3156.400110.7L251 I256 T264 C270 L271 I272L251-E268 PolarHBondContact N-OE1 3.02Å; I256-E268 HydrophobicContact CD1-CG 4.05Å; T264-E268 PolarHBondContact O-N 3.38Å; E268-C270 PolarHBondContact O-N 2.81Å; E268-L271 WeakPolarHBondContact O-CB 3.48Å; E268-L271 PolarHBondContact O-N 3.18Å; E268-L271 VanDerWaalsContact O-N 3.14Å; E268-I272 HydrophobicContact CG-CD1 3.84Å; E268-I272 WeakPolarHBondContact O-CG1 3.38Å; E268-I272 PolarHBondContact O-N 3.2Å
269S88.7Confident89.5Confident46 Ų4655.7 Ų55.732%0.32228%0.278SS..Hα-helixtrans-57.9-44175.9-174.50000112.4P265 L266 L271 I272 R273P265-S269 VanDerWaalsContact O-CB 3.29Å; P265-S269 WeakPolarHBondContact O-CB 3.48Å; P265-S269 PolarHBondContact O-N 2.95Å; L266-S269 PolarHBondContact O-N 3.43Å; S269-L271 PolarHBondContact O-N 2.99Å; S269-I272 PolarHBondContact O-N 3.3Å; S269-R273 VanDerWaalsContact O-CB 3.3Å; S269-R273 WeakPolarHBondContact O-CB 3.2Å; S269-R273 WeakPolarHBondContact O-CG 3.35Å; S269-R273 PolarHBondContact O-N 2.83Å
270C91.8Very high89.8Confident9 Ų959.1 Ų59.16%0.06130%0.297CS..Hα-helixtrans-59.5-44.7174.2-75.20000112.3L266 Q267 E268 L274 L296 F301 M303L266-C270 PolarHBondContact O-N 3.35Å; L266-C270 PolarHBondContact O-SG 2.62Å; L266-C270 VanDerWaalsContact O-SG 3.34Å; Q267-C270 PolarHBondContact O-N 3.06Å; E268-C270 PolarHBondContact O-N 2.81Å; C270-L274 WeakPolarHBondContact O-CB 3.45Å; C270-L274 PolarHBondContact O-N 3.22Å; C270-L296 HydrophobicContact CB-CD1 4.45Å; C270-L296 HydrophobicContact CB-CD2 4.17Å; C270-F301 HydrophobicContact CB-CD1 4.04Å; C270-M303 HydrophobicContact CB-SD 3.72Å
271L93.1Very high89.9Confident0 Ų062.6 Ų62.60%032%0.318CS..Hα-helixtrans-62.1-50.5177.2177.561.4000111.8L251 L260 L263 Q267 E268 S269 R273 L274 R275 D289 I292 L293 L296L251-L271 HydrophobicContact CD1-CD2 3.95Å; L260-L271 HydrophobicContact CD1-CD2 3.69Å; L263-L271 HydrophobicContact CD1-CD2 4.17Å; Q267-L271 PolarHBondContact O-N 2.88Å; E268-L271 WeakPolarHBondContact O-CB 3.48Å; E268-L271 PolarHBondContact O-N 3.18Å; E268-L271 VanDerWaalsContact O-N 3.14Å; S269-L271 PolarHBondContact O-N 2.99Å; L271-R273 PolarHBondContact O-N 3.05Å; L271-L274 PolarHBondContact O-N 2.98Å; L271-R275 VanDerWaalsContact O-CB 3.29Å; L271-R275 WeakPolarHBondContact O-CB 3.45Å; L271-R275 PolarHBondContact O-N 3.01Å; L271-D289 HydrophobicContact CD2-CB 4.31Å; L271-I292 HydrophobicContact CD1-CB 3.82Å; L271-I292 HydrophobicContact CD1-CG2 3.71Å; L271-L293 HydrophobicContact CD1-CB 4.35Å; L271-L296 HydrophobicContact CB-CD1 4.05Å; L271-L296 HydrophobicContact CD1-CD1 4.17Å
272I91.7Very high89.9Confident24 Ų2465 Ų6512%0.12333%0.327CS..Hα-helixtrans-58.7-47.7178.5-66.1160.3000110.4D249 E268 S269 R275 K276D249-I272 HydrophobicContact CB-CG2 4.38Å; D249-I272 VanDerWaalsContact O-CD1 3.27Å; D249-I272 WeakPolarHBondContact O-CD1 3.4Å; E268-I272 HydrophobicContact CG-CD1 3.84Å; E268-I272 WeakPolarHBondContact O-CG1 3.38Å; E268-I272 PolarHBondContact O-N 3.2Å; S269-I272 PolarHBondContact O-N 3.3Å; I272-R275 PolarHBondContact O-N 2.96Å; I272-K276 WeakPolarHBondContact O-CB 3.02Å; I272-K276 PolarHBondContact O-N 3.44Å
273R92.9Very high89.6Confident153 Ų15368.7 Ų68.758%0.57734%0.336SS*.Hα-helixtrans-63.3-42.8179.7-73175.167.9-177.31.3112.5S269 L271 W277 M303S269-R273 VanDerWaalsContact O-CB 3.3Å; S269-R273 WeakPolarHBondContact O-CB 3.2Å; S269-R273 WeakPolarHBondContact O-CG 3.35Å; S269-R273 PolarHBondContact O-N 2.83Å; L271-R273 PolarHBondContact O-N 3.05Å; R273-W277 WeakPolarHBondContact O-CB 3.46Å; R273-W277 PolarHBondContact O-N 3.05Å; R273-M303 HydrophobicContact CB-CE 3.82Å
274L93.3Very high89.3Confident0 Ų069.1 Ų69.10%035%0.348CS..Hα-helixtrans-69.8-38.8-180-174.956.1000111.3C270 L271 W277 L278 I292 L296 M303 A306 R307 L310C270-L274 WeakPolarHBondContact O-CB 3.45Å; C270-L274 PolarHBondContact O-N 3.22Å; L271-L274 PolarHBondContact O-N 2.98Å; L274-W277 HydrophobicContact CD1-CE3 4.03Å; L274-L278 WeakPolarHBondContact O-CG 3.41Å; L274-L278 PolarHBondContact O-N 3.19Å; L274-I292 HydrophobicContact CB-CG2 4.22Å; L274-I292 HydrophobicContact CD2-CG2 3.68Å; L274-I292 HydrophobicContact CG-CG2 3.9Å; L274-L296 HydrophobicContact CD2-CD1 4.16Å; L274-L296 HydrophobicContact CD2-CD2 3.86Å; L274-L296 HydrophobicContact CD2-CG 3.8Å; L274-M303 HydrophobicContact CB-CE 3.88Å; L274-M303 HydrophobicContact CB-SD 4.46Å; L274-A306 HydrophobicContact CD2-CB 4.33Å; L274-R307 HydrophobicContact CD1-CB 3.9Å; L274-R307 HydrophobicContact CD1-CG 4.46Å; L274-L310 HydrophobicContact CD2-CD2 4.05Å; L274-L310 HydrophobicContact CG-CD2 4.33Å
275R93.2Very high89Confident39 Ų3975.5 Ų75.515%0.14737%0.369CS..Hα-helixtrans-62.4-46.8173.2177.8176.967.6-158.42.9112.4L271 I272 L278 Q279 D289 I292L271-R275 VanDerWaalsContact O-CB 3.29Å; L271-R275 WeakPolarHBondContact O-CB 3.45Å; L271-R275 PolarHBondContact O-N 3.01Å; I272-R275 PolarHBondContact O-N 2.96Å; R275-L278 WeakPolarHBondContact O-CB 2.79Å; R275-L278 PolarHBondContact O-N 2.95Å; R275-Q279 WeakPolarHBondContact O-CG 3.43Å; R275-Q279 PolarHBondContact O-N 3.03Å; R275-D289 VanDerWaalsContact CD-OD1 3.27Å; R275-D289 WeakPolarHBondContact CD-OD1 3.41Å; R275-D289 IonicContact CZ-OD1 3.76Å; R275-D289 IonicContact NE-OD1 2.76Å; R275-D289 IonicContact NH1-OD1 3.3Å; R275-D289 PolarHBondContact NH1-OD1 2.84Å; R275-D289 IonicContact NH1-OD2 3.74Å; R275-D289 PolarHBondContact NH1-OD2 3.01Å; R275-I292 HydrophobicContact CB-CD1 3.98Å; R275-I292 HydrophobicContact CG-CD1 4.24Å
276K91.6Very high89.1Confident89 Ų8972.8 Ų72.839%0.38735%0.349SS..Hα-helixtrans-61.5-45.9177.2-174.8169.2-172.5161.90111.3I272 L278 Q279 E280I272-K276 WeakPolarHBondContact O-CB 3.02Å; I272-K276 PolarHBondContact O-N 3.44Å; K276-L278 VanDerWaalsContact C-N 3.31Å; K276-L278 PolarHBondContact O-N 2.87Å; K276-Q279 WeakPolarHBondContact O-CB 3.19Å; K276-Q279 PolarHBondContact O-N 3.3Å; K276-Q279 VanDerWaalsContact O-N 3.1Å; K276-E280 WeakPolarHBondContact O-CG 3.21Å; K276-E280 PolarHBondContact O-N 3.49Å
277W93.1Very high89.2Confident53 Ų5368 Ų6820%0.20133%0.325CS..Hα-helixtrans-59.3-39.7173.8178.577000112.8R273 L274 E280 T281 R307 C311R273-W277 WeakPolarHBondContact O-CB 3.46Å; R273-W277 PolarHBondContact O-N 3.05Å; L274-W277 HydrophobicContact CD1-CE3 4.03Å; W277-E280 PolarHBondContact O-N 2.96Å; W277-T281 VanDerWaalsContact CE2-OG1 3.28Å; W277-T281 HydrophobicContact CH2-CG2 4.35Å; W277-T281 HydrophobicContact CZ2-CG2 3.76Å; W277-T281 PolarHBondContact NE1-OG1 2.78Å; W277-T281 WeakPolarHBondContact O-CB 3.44Å; W277-T281 PolarHBondContact O-N 3.34Å; W277-T281 PolarHBondContact O-OG1 3.4Å; W277-R307 HydrophobicContact CD2-CG 4.46Å; W277-R307 HydrophobicContact CE3-CG 4Å; W277-R307 HydrophobicContact CH2-CG 3.75Å; W277-R307 HydrophobicContact CZ2-CG 4.22Å; W277-R307 VanDerWaalsContact CZ2-CZ 3.42Å; W277-R307 HydrophobicContact CZ3-CG 3.62Å; W277-C311 WeakPolarHBondContact CH2-SG 3.42Å
278L91.6Very high89.2Confident2 Ų270.8 Ų70.81%0.0134%0.336CS..Hα-helixtrans-63.8-42.9172.6-78.6171.5000112L274 R275 K276 E280 T281 H282 I286 I292 L310 L314L274-L278 WeakPolarHBondContact O-CG 3.41Å; L274-L278 PolarHBondContact O-N 3.19Å; R275-L278 WeakPolarHBondContact O-CB 2.79Å; R275-L278 PolarHBondContact O-N 2.95Å; K276-L278 VanDerWaalsContact C-N 3.31Å; K276-L278 PolarHBondContact O-N 2.87Å; L278-E280 VanDerWaalsContact C-N 3.27Å; L278-E280 PolarHBondContact O-N 3.11Å; L278-T281 PolarHBondContact O-N 3.13Å; L278-H282 HydrophobicContact CD2-CB 4.23Å; L278-H282 WeakPolarHBondContact O-CA 3.23Å; L278-H282 WeakPolarHBondContact O-CB 3.46Å; L278-H282 PolarHBondContact O-N 2.93Å; L278-I286 HydrophobicContact CB-CD1 4.39Å; L278-I286 HydrophobicContact CB-CG2 4.49Å; L278-I292 HydrophobicContact CD1-CD1 3.79Å; L278-I292 HydrophobicContact CD1-CG1 4.05Å; L278-L310 HydrophobicContact CD1-CD2 3.6Å; L278-L310 HydrophobicContact CD2-CD2 4.48Å; L278-L310 HydrophobicContact CG-CD2 4.44Å; L278-L314 HydrophobicContact CD2-CD1 4.07Å
279Q89.6Confident89.3Confident118 Ų11869.8 Ų69.855%0.55133%0.332SS*.Hα-helixtrans-60.1-37.4176.7-71.2166.2-14.300112.3R275 K276 I286R275-Q279 WeakPolarHBondContact O-CG 3.43Å; R275-Q279 PolarHBondContact O-N 3.03Å; K276-Q279 WeakPolarHBondContact O-CB 3.19Å; K276-Q279 PolarHBondContact O-N 3.3Å; K276-Q279 VanDerWaalsContact O-N 3.1Å; Q279-I286 HydrophobicContact CG-CD1 4.36Å; Q279-I286 HydrophobicContact CG-CG1 4.08Å
280E89.8Confident89.4Confident138 Ų13869.9 Ų69.965%0.64533%0.327SS*.Hα-helixtrans-74.6-34.6177.8-68.6166.4-174.900112.9K276 W277 L278K276-E280 WeakPolarHBondContact O-CG 3.21Å; K276-E280 PolarHBondContact O-N 3.49Å; W277-E280 PolarHBondContact O-N 2.96Å; L278-E280 VanDerWaalsContact C-N 3.27Å; L278-E280 PolarHBondContact O-N 3.11Å
281T87.1Confident89.4Confident77 Ų7770.9 Ų70.947%0.47233%0.331SS..Hα-helixtrans-109-27.5-166.7-37.30000114.4W277 L278W277-T281 VanDerWaalsContact CE2-OG1 3.28Å; W277-T281 HydrophobicContact CH2-CG2 4.35Å; W277-T281 HydrophobicContact CZ2-CG2 3.76Å; W277-T281 PolarHBondContact NE1-OG1 2.78Å; W277-T281 WeakPolarHBondContact O-CB 3.44Å; W277-T281 PolarHBondContact O-N 3.34Å; W277-T281 PolarHBondContact O-OG1 3.4Å; L278-T281 PolarHBondContact O-N 3.13Å
282H85.4Confident89.5Confident62 Ų6270.9 Ų70.929%0.28733%0.331SS..  trans-96.2119.1-173.6-175.9-106.6000112L278 G284 K285 I286L278-H282 HydrophobicContact CD2-CB 4.23Å; L278-H282 WeakPolarHBondContact O-CA 3.23Å; L278-H282 WeakPolarHBondContact O-CB 3.46Å; L278-H282 PolarHBondContact O-N 2.93Å; H282-G284 VanDerWaalsContact C-N 3.26Å; H282-G284 VanDerWaalsContact CE1-CA 3.47Å; H282-G284 WeakPolarHBondContact CE1-CA 3.48Å; H282-G284 PolarHBondContact ND1-N 3.07Å; H282-G284 PolarHBondContact ND1-O 2.76Å; H282-G284 VanDerWaalsContact ND1-O 3.07Å; H282-G284 PolarHBondContact O-N 3.3Å; H282-K285 PolarHBondContact CE1-O 2.96Å; H282-I286 HydrophobicContact CB-CD1 4.22Å
283K80Confident89.7Confident218 Ų21869.8 Ų69.895%0.94833%0.325SS*.  trans-81.99.5-177.1-59.8-174.1178.7-177.30115.1
284G79.1Confident89.7Confident39 Ų3963.4 Ų63.440%0.40230%0.301SS..SBendtrans-121.1-178.9-179.600000112.3H282 I286H282-G284 VanDerWaalsContact C-N 3.26Å; H282-G284 VanDerWaalsContact CE1-CA 3.47Å; H282-G284 WeakPolarHBondContact CE1-CA 3.48Å; H282-G284 PolarHBondContact ND1-N 3.07Å; H282-G284 PolarHBondContact ND1-O 2.76Å; H282-G284 VanDerWaalsContact ND1-O 3.07Å; H282-G284 PolarHBondContact O-N 3.3Å; G284-I286 PolarHBondContact O-N 3.25Å
285K83.2Confident89.8Confident202 Ų20263.5 Ų63.588%0.87830%0.302SS*.PPolyproline II helixtrans-50.9127.4174.4-174.5179179.6-177.50110H282H282-K285 PolarHBondContact CE1-O 2.96Å
286I87.6Confident89.8Confident52 Ų5261.6 Ų61.627%0.26730%0.295SS..PPolyproline II helixtrans-73133.6177.8-53.6-57.8000108.4L278 Q279 H282 G284L278-I286 HydrophobicContact CB-CD1 4.39Å; L278-I286 HydrophobicContact CB-CG2 4.49Å; Q279-I286 HydrophobicContact CG-CD1 4.36Å; Q279-I286 HydrophobicContact CG-CG1 4.08Å; H282-I286 HydrophobicContact CB-CD1 4.22Å; G284-I286 PolarHBondContact O-N 3.25Å
287P89.9Confident89.8Confident21 Ų2161.2 Ų61.214%0.13629%0.29CS..PPolyproline II helixtrans-61.2153174.9-22.334.3000111.5H291 I292 L314P287-H291 HydrophobicContact CB-CB 4.06Å; P287-I292 HydrophobicContact CB-CG1 4.07Å; P287-L314 HydrophobicContact CG-CD1 4.18Å; P287-L314 HydrophobicContact CG-CD2 3.64Å
288K90.8Very high89.6Confident109 Ų10959.5 Ų59.547%0.47429%0.288SS..PPolyproline II helixtrans-65.6157.4173.4-53.3-175.7177.1-175.60111.1E290 H291 I292 E391K288-E290 VanDerWaalsContact C-N 3.27Å; K288-E290 WeakPolarHBondContact CB-OE2 3.49Å; K288-E290 PolarHBondContact O-N 2.81Å; K288-H291 WeakPolarHBondContact O-CB 3.39Å; K288-H291 PolarHBondContact O-N 2.87Å; K288-I292 PolarHBondContact O-N 3.39Å; K288-I292 VanDerWaalsContact O-N 3.12Å; K288-E391 IonicContact NZ-OE1 2.73Å; K288-E391 PolarHBondContact NZ-OE1 3.48Å; K288-E391 IonicContact NZ-OE2 3.02Å; K288-E391 PolarHBondContact NZ-OE2 3.38Å
289D92.1Very high89.5Confident15 Ų1563.7 Ų63.78%0.0830%0.304CS..Hα-helixtrans-55.2-39.4-179.4-75-11.2000112.5Y255 L260 L271 R275 H291 I292 L293Y255-D289 PolarHBondContact OH-OD2 2.83Å; L260-D289 HydrophobicContact CD1-CB 4.23Å; L260-D289 HydrophobicContact CD2-CB 3.74Å; L271-D289 HydrophobicContact CD2-CB 4.31Å; R275-D289 VanDerWaalsContact CD-OD1 3.27Å; R275-D289 WeakPolarHBondContact CD-OD1 3.41Å; R275-D289 IonicContact CZ-OD1 3.76Å; R275-D289 IonicContact NE-OD1 2.76Å; R275-D289 IonicContact NH1-OD1 3.3Å; R275-D289 PolarHBondContact NH1-OD1 2.84Å; R275-D289 IonicContact NH1-OD2 3.74Å; R275-D289 PolarHBondContact NH1-OD2 3.01Å; D289-H291 VanDerWaalsContact C-N 3.25Å; D289-H291 PolarHBondContact O-N 2.99Å; D289-I292 PolarHBondContact O-N 2.9Å; D289-L293 WeakPolarHBondContact O-CB 3.17Å; D289-L293 PolarHBondContact O-N 2.87Å
290E91Very high89.4Confident48 Ų4865.3 Ų65.322%0.22432%0.316CS..Hα-helixtrans-61.7-36177.8-49.780.7177.400111.6L260 K288 R294L260-E290 HydrophobicContact CD2-CG 3.98Å; K288-E290 VanDerWaalsContact C-N 3.27Å; K288-E290 WeakPolarHBondContact CB-OE2 3.49Å; K288-E290 PolarHBondContact O-N 2.81Å; E290-R294 WeakPolarHBondContact O-CG 3.44Å; E290-R294 PolarHBondContact O-N 3.2Å
291H92.4Very high89.4Confident29 Ų2960.2 Ų60.213%0.13429%0.292CS..Hα-helixtrans-71.6-48.6178.3-169.1100.1000110.5P287 K288 D289 L293 R294 F295P287-H291 HydrophobicContact CB-CB 4.06Å; K288-H291 WeakPolarHBondContact O-CB 3.39Å; K288-H291 PolarHBondContact O-N 2.87Å; D289-H291 VanDerWaalsContact C-N 3.25Å; D289-H291 PolarHBondContact O-N 2.99Å; H291-L293 VanDerWaalsContact C-N 3.26Å; H291-L293 PolarHBondContact O-N 3.13Å; H291-R294 PolarHBondContact O-N 3.44Å; H291-F295 AromaticContact CD2-CE2 3.8Å; H291-F295 AromaticContact NE2-CE2 3.41Å; H291-F295 WeakPolarHBondContact NE2-CE2 3.33Å; H291-F295 WeakPolarHBondContact O-CD2 3.36Å
292I95Very high89.5Confident0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-58.8-41.9177.3-58174.8000110.6L271 L274 R275 L278 P287 K288 D289 R294 F295 L296 L310L271-I292 HydrophobicContact CD1-CB 3.82Å; L271-I292 HydrophobicContact CD1-CG2 3.71Å; L274-I292 HydrophobicContact CB-CG2 4.22Å; L274-I292 HydrophobicContact CD2-CG2 3.68Å; L274-I292 HydrophobicContact CG-CG2 3.9Å; R275-I292 HydrophobicContact CB-CD1 3.98Å; R275-I292 HydrophobicContact CG-CD1 4.24Å; L278-I292 HydrophobicContact CD1-CD1 3.79Å; L278-I292 HydrophobicContact CD1-CG1 4.05Å; P287-I292 HydrophobicContact CB-CG1 4.07Å; K288-I292 PolarHBondContact O-N 3.39Å; K288-I292 VanDerWaalsContact O-N 3.12Å; D289-I292 PolarHBondContact O-N 2.9Å; I292-R294 VanDerWaalsContact C-N 3.31Å; I292-R294 PolarHBondContact O-N 2.86Å; I292-F295 PolarHBondContact O-N 2.82Å; I292-L296 HydrophobicContact CG2-CD1 4.27Å; I292-L296 PolarHBondContact O-N 2.82Å; I292-L296 VanDerWaalsContact O-N 3.16Å; I292-L310 HydrophobicContact CG2-CD2 4.29Å
293L94.3Very high89.7Confident2 Ų258.6 Ų58.61%0.0128%0.281CS..Hα-helixtrans-63.2-30.8-179.1-176.658.9000113.5L260 L263 L271 D289 H291 L296 R297 F301L260-L293 HydrophobicContact CB-CD2 3.92Å; L260-L293 HydrophobicContact CD2-CD2 4.17Å; L263-L293 HydrophobicContact CD1-CD2 4.4Å; L263-L293 HydrophobicContact CD2-CD1 3.88Å; L263-L293 HydrophobicContact CD2-CD2 4.09Å; L271-L293 HydrophobicContact CD1-CB 4.35Å; D289-L293 WeakPolarHBondContact O-CB 3.17Å; D289-L293 PolarHBondContact O-N 2.87Å; H291-L293 VanDerWaalsContact C-N 3.26Å; H291-L293 PolarHBondContact O-N 3.13Å; L293-L296 PolarHBondContact O-N 2.99Å; L293-R297 HydrophobicContact CD1-CG 4.37Å; L293-R297 HydrophobicContact CG-CG 4.49Å; L293-R297 WeakPolarHBondContact O-CB 3.39Å; L293-R297 VanDerWaalsContact O-CG 3.31Å; L293-R297 WeakPolarHBondContact O-CG 3.49Å; L293-R297 PolarHBondContact O-N 2.69Å; L293-F301 HydrophobicContact CD1-CE1 3.71Å; L293-F301 HydrophobicContact CD1-CZ 3.8Å
294R93.8Very high89.9Confident18 Ų1853.9 Ų53.97%0.06827%0.267CS..Hα-helixtrans-63.4-43.4173.1-74.4173.7-179.3147.33.3112.3E290 H291 I292 L296 R297 A298 S402 P438 E439E290-R294 WeakPolarHBondContact O-CG 3.44Å; E290-R294 PolarHBondContact O-N 3.2Å; H291-R294 PolarHBondContact O-N 3.44Å; I292-R294 VanDerWaalsContact C-N 3.31Å; I292-R294 PolarHBondContact O-N 2.86Å; R294-L296 VanDerWaalsContact C-N 3.33Å; R294-R297 PolarHBondContact O-N 2.92Å; R294-A298 WeakPolarHBondContact O-CB 3.18Å; R294-A298 PolarHBondContact O-N 3.41Å; R294-S402 PolarHBondContact NE-O 3.24Å; R294-S402 PolarHBondContact NH2-O 2.72Å; R294-P438 WeakPolarHBondContact CB-O 3.11Å; R294-P438 WeakPolarHBondContact CD-O 3.49Å; R294-E439 HydrophobicContact CB-CB 4.24Å; R294-E439 HydrophobicContact CG-CB 4.09Å
295F94.8Very high90.2Very high2 Ų257.3 Ų57.31%0.00927%0.27CS..Hα-helixtrans-69.7-32.2179-73.3-103.3000112H291 I292 A306 I309 L310 P438H291-F295 AromaticContact CD2-CE2 3.8Å; H291-F295 AromaticContact NE2-CE2 3.41Å; H291-F295 WeakPolarHBondContact NE2-CE2 3.33Å; H291-F295 WeakPolarHBondContact O-CD2 3.36Å; I292-F295 PolarHBondContact O-N 2.82Å; F295-A306 WeakPolarHBondContact O-CB 3.43Å; F295-I309 HydrophobicContact CB-CD1 4.28Å; F295-I309 HydrophobicContact CD1-CB 4.39Å; F295-I309 HydrophobicContact CD1-CD1 3.54Å; F295-I309 HydrophobicContact CD1-CG1 3.81Å; F295-I309 HydrophobicContact CE1-CD1 4.29Å; F295-I309 HydrophobicContact CG-CD1 4.3Å; F295-L310 HydrophobicContact CB-CB 4.19Å; F295-L310 HydrophobicContact CB-CD1 4.47Å; F295-L310 HydrophobicContact CD1-CB 3.84Å; F295-L310 HydrophobicContact CD1-CD1 4.09Å; F295-L310 HydrophobicContact CD2-CD1 3.83Å; F295-L310 HydrophobicContact CE1-CD1 4.35Å; F295-L310 HydrophobicContact CE2-CD1 4.08Å; F295-L310 HydrophobicContact CG-CB 4.05Å; F295-L310 HydrophobicContact CG-CD1 3.85Å; F295-L310 HydrophobicContact CG-CG 4.46Å; F295-L310 HydrophobicContact CZ-CD1 4.35Å; F295-P438 HydrophobicContact CD1-CG 4.01Å; F295-P438 HydrophobicContact CD2-CG 3.89Å; F295-P438 HydrophobicContact CE1-CG 3.83Å; F295-P438 HydrophobicContact CE2-CG 3.71Å; F295-P438 HydrophobicContact CG-CG 4.03Å; F295-P438 HydrophobicContact CZ-CG 3.67Å
296L94.1Very high90.6Very high0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-66.1-51.3169.2-76.1166.1000111.9C270 L271 L274 I292 L293 R294 A298 R299 D300 F301 M303 A306C270-L296 HydrophobicContact CB-CD1 4.45Å; C270-L296 HydrophobicContact CB-CD2 4.17Å; L271-L296 HydrophobicContact CB-CD1 4.05Å; L271-L296 HydrophobicContact CD1-CD1 4.17Å; L274-L296 HydrophobicContact CD2-CD1 4.16Å; L274-L296 HydrophobicContact CD2-CD2 3.86Å; L274-L296 HydrophobicContact CD2-CG 3.8Å; I292-L296 HydrophobicContact CG2-CD1 4.27Å; I292-L296 PolarHBondContact O-N 2.82Å; I292-L296 VanDerWaalsContact O-N 3.16Å; L293-L296 PolarHBondContact O-N 2.99Å; R294-L296 VanDerWaalsContact C-N 3.33Å; L296-A298 PolarHBondContact O-N 3.05Å; L296-R299 CarbonylContact O-C 3.51Å; L296-R299 PolarHBondContact O-N 2.87Å; L296-R299 VanDerWaalsContact O-N 3.11Å; L296-D300 PolarHBondContact O-N 2.92Å; L296-F301 HydrophobicContact CB-CD1 3.78Å; L296-F301 HydrophobicContact CB-CE1 3.89Å; L296-F301 HydrophobicContact CB-CG 4.37Å; L296-F301 HydrophobicContact CD1-CD1 4.41Å; L296-F301 HydrophobicContact CD1-CE1 4.49Å; L296-F301 HydrophobicContact CD2-CD1 4.36Å; L296-F301 HydrophobicContact CG-CD1 4.42Å; L296-F301 WeakPolarHBondContact O-CA 3.46Å; L296-F301 PolarHBondContact O-N 3.38Å; L296-M303 HydrophobicContact CD2-SD 4.08Å; L296-A306 HydrophobicContact CD2-CB 3.81Å; L296-A306 HydrophobicContact CG-CB 4.33Å
297R92.1Very high90.8Very high80 Ų8050.3 Ų50.330%0.30224%0.235SC..Hα-helixtrans-57.4-45.4178.9-77.1174.7174.1159.82.2111.9L260 L293 R294 R299 D300 F301 E439L260-R297 PolarHBondContact O-NH2 3.26Å; L293-R297 HydrophobicContact CD1-CG 4.37Å; L293-R297 HydrophobicContact CG-CG 4.49Å; L293-R297 WeakPolarHBondContact O-CB 3.39Å; L293-R297 VanDerWaalsContact O-CG 3.31Å; L293-R297 WeakPolarHBondContact O-CG 3.49Å; L293-R297 PolarHBondContact O-N 2.69Å; R294-R297 PolarHBondContact O-N 2.92Å; R297-R299 PolarHBondContact O-N 3.46Å; R297-R299 VanDerWaalsContact O-N 3.08Å; R297-D300 PolarHBondContact O-N 3.46Å; R297-F301 HydrophobicContact CG-CE2 3.85Å; R297-F301 HydrophobicContact CG-CZ 3.76Å; R297-E439 HydrophobicContact CB-CG 3.92Å
298A88.4Confident90.9Very high18 Ų1854.7 Ų54.715%0.14925%0.254CS..THydrogen-bonded Turntrans-66.5-7.9179.200000115.1R294 L296 P438 E439R294-A298 WeakPolarHBondContact O-CB 3.18Å; R294-A298 PolarHBondContact O-N 3.41Å; L296-A298 PolarHBondContact O-N 3.05Å; A298-P438 HydrophobicContact CB-CB 3.57Å; A298-E439 HydrophobicContact CB-CG 4.26Å
299R89.3Confident90.8Very high90 Ų9050.5 Ų50.534%0.3424%0.236SC..THydrogen-bonded Turntrans-12727.2176.5-60.5-63.8176.1-101.30.3111.9L296 R297 F301 N302 K305 A306 I309L296-R299 CarbonylContact O-C 3.51Å; L296-R299 PolarHBondContact O-N 2.87Å; L296-R299 VanDerWaalsContact O-N 3.11Å; R297-R299 PolarHBondContact O-N 3.46Å; R297-R299 VanDerWaalsContact O-N 3.08Å; R299-F301 PolarHBondContact O-N 3.21Å; R299-F301 VanDerWaalsContact O-N 3.16Å; R299-N302 WeakPolarHBondContact O-CB 3.22Å; R299-N302 PolarHBondContact O-N 3.03Å; R299-K305 HydrophobicContact CB-CB 4.04Å; R299-K305 HydrophobicContact CG-CB 4.09Å; R299-A306 HydrophobicContact CB-CB 4.31Å; R299-I309 HydrophobicContact CG-CD1 3.69Å; R299-I309 HydrophobicContact CG-CG1 4.08Å
300D87.6Confident91Very high152 Ų15249.8 Ų49.881%0.81323%0.233SC*.THydrogen-bonded Turntrans53.835.9176.9-52.6-61000113.1L296 R297 N302L296-D300 PolarHBondContact O-N 2.92Å; R297-D300 PolarHBondContact O-N 3.46Å; D300-N302 PolarHBondContact O-N 3.49Å
301F89.4Confident91Very high30 Ų3049.5 Ų49.513%0.13224%0.236CC..THydrogen-bonded Turntrans59.117.5-173.6-65.4-99.3000115.1Q267 C270 L293 L296 R297 R299 M303Q267-F301 HydrophobicContact CB-CD1 3.89Å; Q267-F301 HydrophobicContact CB-CE1 3.49Å; Q267-F301 VanDerWaalsContact CB-CE1 3.49Å; Q267-F301 HydrophobicContact CB-CZ 3.84Å; Q267-F301 HydrophobicContact CG-CD1 3.77Å; Q267-F301 HydrophobicContact CG-CD2 3.94Å; Q267-F301 HydrophobicContact CG-CE1 3.58Å; Q267-F301 HydrophobicContact CG-CE2 3.76Å; Q267-F301 HydrophobicContact CG-CG 3.95Å; Q267-F301 HydrophobicContact CG-CZ 3.57Å; C270-F301 HydrophobicContact CB-CD1 4.04Å; L293-F301 HydrophobicContact CD1-CE1 3.71Å; L293-F301 HydrophobicContact CD1-CZ 3.8Å; L296-F301 HydrophobicContact CB-CD1 3.78Å; L296-F301 HydrophobicContact CB-CE1 3.89Å; L296-F301 HydrophobicContact CB-CG 4.37Å; L296-F301 HydrophobicContact CD1-CD1 4.41Å; L296-F301 HydrophobicContact CD1-CE1 4.49Å; L296-F301 HydrophobicContact CD2-CD1 4.36Å; L296-F301 HydrophobicContact CG-CD1 4.42Å; L296-F301 WeakPolarHBondContact O-CA 3.46Å; L296-F301 PolarHBondContact O-N 3.38Å; R297-F301 HydrophobicContact CG-CE2 3.85Å; R297-F301 HydrophobicContact CG-CZ 3.76Å; R299-F301 PolarHBondContact O-N 3.21Å; R299-F301 VanDerWaalsContact O-N 3.16Å; F301-M303 PolarHBondContact O-N 2.82Å; F301-M303 VanDerWaalsContact O-N 3.08Å
302N89.4Confident91Very high64 Ų6453.2 Ų53.234%0.34225%0.253SS..  trans-66.5107.2169-175.3-75.5000110.3R299 D300 D304 K305 A306R299-N302 WeakPolarHBondContact O-CB 3.22Å; R299-N302 PolarHBondContact O-N 3.03Å; D300-N302 PolarHBondContact O-N 3.49Å; N302-D304 PolarHBondContact O-N 3.26Å; N302-D304 PolarHBondContact OD1-N 3.07Å; N302-K305 HydrophobicContact CB-CB 4.27Å; N302-K305 HydrophobicContact CB-CD 4.23Å; N302-K305 PolarHBondContact O-N 3.28Å; N302-K305 WeakPolarHBondContact OD1-CB 3.4Å; N302-K305 VanDerWaalsContact OD1-CG 3.29Å; N302-K305 WeakPolarHBondContact OD1-CG 3.31Å; N302-K305 PolarHBondContact OD1-N 3.18Å; N302-A306 VanDerWaalsContact O-CB 3.23Å; N302-A306 WeakPolarHBondContact O-CB 3.43Å; N302-A306 PolarHBondContact O-N 3.17Å
303M89.9Confident91Very high41 Ų4153.3 Ų53.320%0.20225%0.253CS..Hα-helixtrans-55.4-46.6-173-73.5-66.5-62.500113.9C270 R273 L274 L296 F301 R307C270-M303 HydrophobicContact CB-SD 3.72Å; R273-M303 HydrophobicContact CB-CE 3.82Å; L274-M303 HydrophobicContact CB-CE 3.88Å; L274-M303 HydrophobicContact CB-SD 4.46Å; L296-M303 HydrophobicContact CD2-SD 4.08Å; F301-M303 PolarHBondContact O-N 2.82Å; F301-M303 VanDerWaalsContact O-N 3.08Å; M303-R307 WeakPolarHBondContact O-CB 3.25Å; M303-R307 PolarHBondContact O-N 3.22Å
304D83.8Confident91Very high119 Ų11954.3 Ų54.364%0.63626%0.259SS*.Hα-helixtrans-70.1-45.4-174.7-60.6-56.3000111.5N302 R307 E308N302-D304 PolarHBondContact O-N 3.26Å; N302-D304 PolarHBondContact OD1-N 3.07Å; D304-R307 PolarHBondContact O-N 2.89Å; D304-E308 WeakPolarHBondContact O-CB 3.47Å; D304-E308 PolarHBondContact O-N 3.24Å
305K84.9Confident90.9Very high111 Ų11157.1 Ų57.148%0.48328%0.278SS..Hα-helixtrans-63.3-45.2175.6-68.8174.9-175.31750111.5R299 N302 E308 I309R299-K305 HydrophobicContact CB-CB 4.04Å; R299-K305 HydrophobicContact CG-CB 4.09Å; N302-K305 HydrophobicContact CB-CB 4.27Å; N302-K305 HydrophobicContact CB-CD 4.23Å; N302-K305 PolarHBondContact O-N 3.28Å; N302-K305 WeakPolarHBondContact OD1-CB 3.4Å; N302-K305 VanDerWaalsContact OD1-CG 3.29Å; N302-K305 WeakPolarHBondContact OD1-CG 3.31Å; N302-K305 PolarHBondContact OD1-N 3.18Å; K305-E308 PolarHBondContact O-N 3.23Å; K305-I309 WeakPolarHBondContact O-CG1 3.5Å; K305-I309 PolarHBondContact O-N 2.99Å; K305-I309 VanDerWaalsContact O-N 3.12Å
306A91.7Very high90.9Very high0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-62.9-42.5178.800000111.8L274 F295 L296 R299 N302 I309 L310L274-A306 HydrophobicContact CD2-CB 4.33Å; F295-A306 WeakPolarHBondContact O-CB 3.43Å; L296-A306 HydrophobicContact CD2-CB 3.81Å; L296-A306 HydrophobicContact CG-CB 4.33Å; R299-A306 HydrophobicContact CB-CB 4.31Å; N302-A306 VanDerWaalsContact O-CB 3.23Å; N302-A306 WeakPolarHBondContact O-CB 3.43Å; N302-A306 PolarHBondContact O-N 3.17Å; A306-I309 WeakPolarHBondContact O-CG1 3.33Å; A306-L310 WeakPolarHBondContact O-CB 3.35Å; A306-L310 PolarHBondContact O-N 3.28Å
307R93.1Very high90.9Very high107 Ų10759 Ų5940%0.40429%0.285SS..Hα-helixtrans-59-47.8173170.7179.8155.1-173.5-4.1111.6L274 W277 M303 D304 L310 C311L274-R307 HydrophobicContact CD1-CB 3.9Å; L274-R307 HydrophobicContact CD1-CG 4.46Å; W277-R307 HydrophobicContact CD2-CG 4.46Å; W277-R307 HydrophobicContact CE3-CG 4Å; W277-R307 HydrophobicContact CH2-CG 3.75Å; W277-R307 HydrophobicContact CZ2-CG 4.22Å; W277-R307 VanDerWaalsContact CZ2-CZ 3.42Å; W277-R307 HydrophobicContact CZ3-CG 3.62Å; M303-R307 WeakPolarHBondContact O-CB 3.25Å; M303-R307 PolarHBondContact O-N 3.22Å; D304-R307 PolarHBondContact O-N 2.89Å; R307-L310 PolarHBondContact O-N 3.46Å; R307-C311 WeakPolarHBondContact O-CB 3.49Å; R307-C311 PolarHBondContact O-N 2.88Å; R307-C311 PolarHBondContact O-SG 3.35Å
308E90.3Very high90.9Very high113 Ų11363.5 Ų63.553%0.52831%0.307SS..Hα-helixtrans-57.7-54.9-179.3-170.3-166.8160.200111.6D304 K305 L310 C311 Q312D304-E308 WeakPolarHBondContact O-CB 3.47Å; D304-E308 PolarHBondContact O-N 3.24Å; K305-E308 PolarHBondContact O-N 3.23Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.1Å; E308-C311 PolarHBondContact O-N 2.96Å; E308-Q312 WeakPolarHBondContact O-CG 3.43Å; E308-Q312 PolarHBondContact O-N 3.4Å; E308-Q312 PolarHBondContact OE1-NE2 3.34Å
309I90.1Very high91Very high21 Ų2169 Ų6911%0.10833%0.33CS..Hα-helixtrans-68.2-31.6-177.359.4147.7000112.6F295 R299 K305 A306 Q312 S313F295-I309 HydrophobicContact CB-CD1 4.28Å; F295-I309 HydrophobicContact CD1-CB 4.39Å; F295-I309 HydrophobicContact CD1-CD1 3.54Å; F295-I309 HydrophobicContact CD1-CG1 3.81Å; F295-I309 HydrophobicContact CE1-CD1 4.29Å; F295-I309 HydrophobicContact CG-CD1 4.3Å; R299-I309 HydrophobicContact CG-CD1 3.69Å; R299-I309 HydrophobicContact CG-CG1 4.08Å; K305-I309 WeakPolarHBondContact O-CG1 3.5Å; K305-I309 PolarHBondContact O-N 2.99Å; K305-I309 VanDerWaalsContact O-N 3.12Å; A306-I309 WeakPolarHBondContact O-CG1 3.33Å; I309-Q312 PolarHBondContact O-N 3.44Å; I309-S313 PolarHBondContact O-N 3.03Å
310L94.9Very high91Very high0 Ų068.9 Ų68.90%033%0.333CS..Hα-helixtrans-66.6-43.5174.4-178.856000111.1L274 L278 I292 F295 A306 R307 E308 Q312 S313 L314L274-L310 HydrophobicContact CD2-CD2 4.05Å; L274-L310 HydrophobicContact CG-CD2 4.33Å; L278-L310 HydrophobicContact CD1-CD2 3.6Å; L278-L310 HydrophobicContact CD2-CD2 4.48Å; L278-L310 HydrophobicContact CG-CD2 4.44Å; I292-L310 HydrophobicContact CG2-CD2 4.29Å; F295-L310 HydrophobicContact CB-CB 4.19Å; F295-L310 HydrophobicContact CB-CD1 4.47Å; F295-L310 HydrophobicContact CD1-CB 3.84Å; F295-L310 HydrophobicContact CD1-CD1 4.09Å; F295-L310 HydrophobicContact CD2-CD1 3.83Å; F295-L310 HydrophobicContact CE1-CD1 4.35Å; F295-L310 HydrophobicContact CE2-CD1 4.08Å; F295-L310 HydrophobicContact CG-CB 4.05Å; F295-L310 HydrophobicContact CG-CD1 3.85Å; F295-L310 HydrophobicContact CG-CG 4.46Å; F295-L310 HydrophobicContact CZ-CD1 4.35Å; A306-L310 WeakPolarHBondContact O-CB 3.35Å; A306-L310 PolarHBondContact O-N 3.28Å; R307-L310 PolarHBondContact O-N 3.46Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.1Å; L310-Q312 VanDerWaalsContact C-N 3.34Å; L310-Q312 PolarHBondContact O-N 2.93Å; L310-S313 PolarHBondContact O-N 2.91Å; L310-L314 HydrophobicContact CD1-CD1 4.13Å; L310-L314 HydrophobicContact CD1-CG 4.1Å; L310-L314 HydrophobicContact CG-CD1 4.08Å; L310-L314 HydrophobicContact CG-CG 4.47Å; L310-L314 WeakPolarHBondContact O-CB 3.4Å; L310-L314 VanDerWaalsContact O-CG 3.26Å; L310-L314 WeakPolarHBondContact O-CG 3.32Å; L310-L314 PolarHBondContact O-N 3.46Å
311C92.4Very high91.1Very high43 Ų4367.8 Ų67.829%0.29132%0.323SS..Hα-helixtrans-64.2-37.7175.4-71.60000113.1W277 R307 E308 T315W277-C311 WeakPolarHBondContact CH2-SG 3.42Å; R307-C311 WeakPolarHBondContact O-CB 3.49Å; R307-C311 PolarHBondContact O-N 2.88Å; R307-C311 PolarHBondContact O-SG 3.35Å; E308-C311 PolarHBondContact O-N 2.96Å; C311-T315 WeakPolarHBondContact O-CB 3.49Å; C311-T315 PolarHBondContact O-N 3.25Å; C311-T315 VanDerWaalsContact O-N 3.07Å; C311-T315 PolarHBondContact O-OG1 2.86Å
312Q92.7Very high91.3Very high107 Ų10766.4 Ų66.450%0.532%0.317SS..Hα-helixtrans-62.1-49.9173.8-70.5170.27.400110.6E308 I309 L310 T315 W316E308-Q312 WeakPolarHBondContact O-CG 3.43Å; E308-Q312 PolarHBondContact O-N 3.4Å; E308-Q312 PolarHBondContact OE1-NE2 3.34Å; I309-Q312 PolarHBondContact O-N 3.44Å; L310-Q312 VanDerWaalsContact C-N 3.34Å; L310-Q312 PolarHBondContact O-N 2.93Å; Q312-T315 PolarHBondContact O-N 2.88Å; Q312-W316 WeakPolarHBondContact O-CB 3.46Å; Q312-W316 PolarHBondContact O-N 3.31Å
313S94.6Very high91.4Very high1 Ų168.1 Ų68.11%0.00733%0.326CS..Hα-helixtrans-61.4-47177.5176.30000112.7I309 L310 T315 W316 R317 N436I309-S313 PolarHBondContact O-N 3.03Å; L310-S313 PolarHBondContact O-N 2.91Å; S313-T315 VanDerWaalsContact C-N 3.28Å; S313-T315 PolarHBondContact O-N 3.4Å; S313-W316 PolarHBondContact O-N 3.17Å; S313-W316 VanDerWaalsContact O-N 3.13Å; S313-R317 WeakPolarHBondContact O-CB 3.28Å; S313-R317 WeakPolarHBondContact O-CG 3.26Å; S313-R317 PolarHBondContact O-N 3.27Å; S313-N436 WeakPolarHBondContact CA-OD1 3.38Å
314L93.4Very high91.5Very high23 Ų2372.5 Ų72.512%0.1234%0.341CS..Hα-helixtrans-61.1-36.9178-67.5173.6000112.6L278 P287 L310 K318L278-L314 HydrophobicContact CD2-CD1 4.07Å; P287-L314 HydrophobicContact CG-CD1 4.18Å; P287-L314 HydrophobicContact CG-CD2 3.64Å; L310-L314 HydrophobicContact CD1-CD1 4.13Å; L310-L314 HydrophobicContact CD1-CG 4.1Å; L310-L314 HydrophobicContact CG-CD1 4.08Å; L310-L314 HydrophobicContact CG-CG 4.47Å; L310-L314 WeakPolarHBondContact O-CB 3.4Å; L310-L314 VanDerWaalsContact O-CG 3.26Å; L310-L314 WeakPolarHBondContact O-CG 3.32Å; L310-L314 PolarHBondContact O-N 3.46Å; L314-K318 WeakPolarHBondContact O-CB 3.34Å; L314-K318 PolarHBondContact O-N 3.12Å; L314-K318 VanDerWaalsContact O-N 3.16Å
315T92.3Very high92Very high77 Ų7767.5 Ų67.547%0.47231%0.314SS..Hα-helixtrans-66.4-45.8174.5-56.30000110.8C311 Q312 S313 K318 Q319C311-T315 WeakPolarHBondContact O-CB 3.49Å; C311-T315 PolarHBondContact O-N 3.25Å; C311-T315 VanDerWaalsContact O-N 3.07Å; C311-T315 PolarHBondContact O-OG1 2.86Å; Q312-T315 PolarHBondContact O-N 2.88Å; S313-T315 VanDerWaalsContact C-N 3.28Å; S313-T315 PolarHBondContact O-N 3.4Å; T315-K318 PolarHBondContact O-N 3.25Å; T315-Q319 WeakPolarHBondContact O-CG 3.45Å; T315-Q319 PolarHBondContact O-N 2.93Å
316W94.6Very high92.4Very high29 Ų2965.5 Ų65.511%0.1131%0.308CS..Hα-helixtrans-64-46.7178.8176.984.9000112.3Q312 S313 K318 Q319 H320 V322 L380 V432 N436 Y437Q312-W316 WeakPolarHBondContact O-CB 3.46Å; Q312-W316 PolarHBondContact O-N 3.31Å; S313-W316 PolarHBondContact O-N 3.17Å; S313-W316 VanDerWaalsContact O-N 3.13Å; W316-K318 VanDerWaalsContact C-N 3.29Å; W316-K318 PolarHBondContact O-N 3.03Å; W316-Q319 WeakPolarHBondContact O-CB 3.4Å; W316-Q319 PolarHBondContact O-N 3.06Å; W316-Q319 VanDerWaalsContact O-N 3.11Å; W316-H320 AromaticContact CD1-CE1 3.24Å; W316-H320 AromaticContact CD1-ND1 3.37Å; W316-H320 AromaticContact CE2-CE1 3.98Å; W316-H320 AromaticContact CE2-CG 3.89Å; W316-H320 AromaticContact CE2-ND1 3.66Å; W316-H320 AromaticContact CG-ND1 3.81Å; W316-H320 HydrophobicContact CZ2-CB 4.39Å; W316-H320 AromaticContact NE1-CD2 3.91Å; W316-H320 AromaticContact NE1-CE1 3.12Å; W316-H320 PolarHBondContact NE1-CE1 3.1Å; W316-H320 AromaticContact NE1-CG 3.77Å; W316-H320 AromaticContact NE1-ND1 3.25Å; W316-H320 PolarHBondContact NE1-ND1 2.81Å; W316-H320 AromaticContact NE1-NE2 3.52Å; W316-H320 PolarHBondContact O-N 3.18Å; W316-H320 PolarHBondContact O-ND1 3.49Å; W316-V322 HydrophobicContact CE3-CG2 4.31Å; W316-V322 HydrophobicContact CH2-CG2 3.74Å; W316-V322 HydrophobicContact CZ3-CG2 3.64Å; W316-L380 HydrophobicContact CH2-CD1 3.74Å; W316-L380 HydrophobicContact CH2-CD2 3.69Å; W316-L380 HydrophobicContact CH2-CG 4.38Å; W316-L380 HydrophobicContact CZ2-CD1 4.04Å; W316-L380 HydrophobicContact CZ2-CD2 4.44Å; W316-V432 HydrophobicContact CH2-CG1 3.79Å; W316-V432 HydrophobicContact CZ2-CG1 3.43Å; W316-V432 VanDerWaalsContact CZ2-CG1 3.43Å; W316-N436 HydrophobicContact CE3-CB 3.84Å; W316-N436 HydrophobicContact CZ3-CB 3.76Å; W316-Y437 HydrophobicContact CZ3-CE2 4.45Å
317R93.9Very high92.5Very high13 Ų1373.1 Ų73.15%0.04934%0.344CS..Hα-helixtrans-56.7-42.4175.9-72.8-175.473.287.9-0.2111.7S313 H320 Q321 V322 D323 E384S313-R317 WeakPolarHBondContact O-CB 3.28Å; S313-R317 WeakPolarHBondContact O-CG 3.26Å; S313-R317 PolarHBondContact O-N 3.27Å; R317-H320 PolarHBondContact O-N 2.74Å; R317-Q321 WeakPolarHBondContact O-CA 3.47Å; R317-Q321 PolarHBondContact O-N 2.96Å; R317-V322 HydrophobicContact CB-CB 4.25Å; R317-V322 HydrophobicContact CB-CG2 4.5Å; R317-V322 HydrophobicContact CG-CB 4.23Å; R317-V322 PolarHBondContact O-N 3.14Å; R317-D323 IonicContact CZ-OD1 3.94Å; R317-D323 IonicContact NE-OD1 3.58Å; R317-D323 PolarHBondContact NE-OD1 2.92Å; R317-D323 IonicContact NH2-OD1 2.83Å; R317-D323 PolarHBondContact NH2-OD1 3.12Å; R317-E384 IonicContact CZ-OE1 3.53Å; R317-E384 IonicContact CZ-OE2 2.74Å; R317-E384 IonicContact NH1-OE1 3.42Å; R317-E384 PolarHBondContact NH1-OE1 3.34Å; R317-E384 IonicContact NH1-OE2 3.8Å; R317-E384 VanDerWaalsContact NH2-CD 3.28Å; R317-E384 IonicContact NH2-OE1 2.73Å; R317-E384 PolarHBondContact NH2-OE1 2.76Å; R317-E384 IonicContact NH2-OE2 3.84Å; R317-E384 PolarHBondContact NH2-OE2 3.18Å
318K91.2Very high92.5Very high174 Ų17472.7 Ų72.776%0.75735%0.353SS*.Hα-helixtrans-65.1-42.4175.5-176.5179.4178.6-178.80112.5L314 T315 W316 H320L314-K318 WeakPolarHBondContact O-CB 3.34Å; L314-K318 PolarHBondContact O-N 3.12Å; L314-K318 VanDerWaalsContact O-N 3.16Å; T315-K318 PolarHBondContact O-N 3.25Å; W316-K318 VanDerWaalsContact C-N 3.29Å; W316-K318 PolarHBondContact O-N 3.03Å; K318-H320 VanDerWaalsContact C-N 3.34Å
319Q90.9Very high92.6Very high135 Ų13569.3 Ų69.363%0.63134%0.336SS*.Hα-helixtrans-64-38.7178.2-74.7169.1-14.800112.2T315 W316T315-Q319 WeakPolarHBondContact O-CG 3.45Å; T315-Q319 PolarHBondContact O-N 2.93Å; W316-Q319 WeakPolarHBondContact O-CB 3.4Å; W316-Q319 PolarHBondContact O-N 3.06Å; W316-Q319 VanDerWaalsContact O-N 3.11Å
320H89.4Confident92.6Very high87 Ų8772.7 Ų72.740%0.40336%0.361SS..THydrogen-bonded Turntrans-99.27.4-175.7-58.373.3000113.3W316 R317 K318 V322W316-H320 AromaticContact CD1-CE1 3.24Å; W316-H320 AromaticContact CD1-ND1 3.37Å; W316-H320 AromaticContact CE2-CE1 3.98Å; W316-H320 AromaticContact CE2-CG 3.89Å; W316-H320 AromaticContact CE2-ND1 3.66Å; W316-H320 AromaticContact CG-ND1 3.81Å; W316-H320 HydrophobicContact CZ2-CB 4.39Å; W316-H320 AromaticContact NE1-CD2 3.91Å; W316-H320 AromaticContact NE1-CE1 3.12Å; W316-H320 PolarHBondContact NE1-CE1 3.1Å; W316-H320 AromaticContact NE1-CG 3.77Å; W316-H320 AromaticContact NE1-ND1 3.25Å; W316-H320 PolarHBondContact NE1-ND1 2.81Å; W316-H320 AromaticContact NE1-NE2 3.52Å; W316-H320 PolarHBondContact O-N 3.18Å; W316-H320 PolarHBondContact O-ND1 3.49Å; R317-H320 PolarHBondContact O-N 2.74Å; K318-H320 VanDerWaalsContact C-N 3.34Å; H320-V322 HydrophobicContact CB-CG2 3.82Å; H320-V322 PolarHBondContact O-N 3.49Å
321Q91.1Very high92.5Very high129 Ų12974.8 Ų74.860%0.60338%0.375SS*.THydrogen-bonded Turntrans53.731.6179.1-55.2-175.710.100114.8R317 D323 Y324R317-Q321 WeakPolarHBondContact O-CA 3.47Å; R317-Q321 PolarHBondContact O-N 2.96Å; Q321-D323 VanDerWaalsContact C-N 3.29Å; Q321-D323 PolarHBondContact O-N 3.3Å; Q321-Y324 PolarHBondContact O-N 2.87Å
322V93.8Very high92.5Very high1 Ų175.1 Ų75.11%0.00638%0.376CS..G310 helixtrans-62.3-34.1-169.1-175.70000112.8W316 R317 H320 Y324 L325 E384 Y437W316-V322 HydrophobicContact CE3-CG2 4.31Å; W316-V322 HydrophobicContact CH2-CG2 3.74Å; W316-V322 HydrophobicContact CZ3-CG2 3.64Å; R317-V322 HydrophobicContact CB-CB 4.25Å; R317-V322 HydrophobicContact CB-CG2 4.5Å; R317-V322 HydrophobicContact CG-CB 4.23Å; R317-V322 PolarHBondContact O-N 3.14Å; H320-V322 HydrophobicContact CB-CG2 3.82Å; H320-V322 PolarHBondContact O-N 3.49Å; V322-Y324 PolarHBondContact O-N 2.65Å; V322-Y324 VanDerWaalsContact O-N 3.1Å; V322-L325 WeakPolarHBondContact O-CB 3.31Å; V322-L325 PolarHBondContact O-N 2.76Å; V322-E384 HydrophobicContact CG1-CG 3.96Å; V322-Y437 WeakPolarHBondContact CG1-OH 3.31Å
323D90.6Very high92.4Very high99 Ų9976 Ų7653%0.52938%0.38SS..G310 helixtrans-61.2-19.4177.8-61.3-30.6000113.7R317 Q321R317-D323 IonicContact CZ-OD1 3.94Å; R317-D323 IonicContact NE-OD1 3.58Å; R317-D323 PolarHBondContact NE-OD1 2.92Å; R317-D323 IonicContact NH2-OD1 2.83Å; R317-D323 PolarHBondContact NH2-OD1 3.12Å; Q321-D323 VanDerWaalsContact C-N 3.29Å; Q321-D323 PolarHBondContact O-N 3.3Å
324Y91.9Very high92.3Very high134 Ų13476.9 Ų76.953%0.52539%0.386SS..G310 helixtrans-108.56.2177.2-56.8-77.8000112.4Q321 V322 L326 E327 T328Q321-Y324 PolarHBondContact O-N 2.87Å; V322-Y324 PolarHBondContact O-N 2.65Å; V322-Y324 VanDerWaalsContact O-N 3.1Å; Y324-L326 PolarHBondContact O-N 2.74Å; Y324-E327 PolarHBondContact O-N 3.02Å; Y324-T328 WeakPolarHBondContact O-CB 3.01Å; Y324-T328 WeakPolarHBondContact O-CG2 3.27Å; Y324-T328 PolarHBondContact O-N 3.1Å; Y324-T328 PolarHBondContact O-OG1 2.98Å
325L94.1Very high92.3Very high13 Ų1376 Ų767%0.06838%0.381CS..Hα-helixtrans-61.2-43.2-169.8-176.265.6000112.3V322 E327 T328 W329 L380V322-L325 WeakPolarHBondContact O-CB 3.31Å; V322-L325 PolarHBondContact O-N 2.76Å; L325-E327 PolarHBondContact O-N 2.73Å; L325-T328 PolarHBondContact O-N 2.79Å; L325-W329 HydrophobicContact CD1-CB 3.65Å; L325-W329 HydrophobicContact CD1-CG 4.06Å; L325-W329 HydrophobicContact CG-CB 4.43Å; L325-W329 WeakPolarHBondContact O-CB 3.44Å; L325-W329 PolarHBondContact O-N 3.02Å; L325-L380 HydrophobicContact CD2-CB 3.54Å
326L94.1Very high92.3Very high69 Ų6977.8 Ų77.836%0.36138%0.384SS..Hα-helixtrans-68.8-16.7177.8-60.2-177.7000113.8Y324 E384 E385Y324-L326 PolarHBondContact O-N 2.74Å; L326-E384 HydrophobicContact CD1-CB 4Å; L326-E384 HydrophobicContact CD2-CB 4.05Å; L326-E384 HydrophobicContact CG-CB 3.91Å; L326-E385 HydrophobicContact CD2-CB 4.35Å
327E93.5Very high92.1Very high160 Ų16079.6 Ų79.675%0.74840%0.396SS*.Hα-helixtrans-97.4-30.7178.8-61178.7175.800112.2Y324 L325Y324-E327 PolarHBondContact O-N 3.02Å; L325-E327 PolarHBondContact O-N 2.73Å
328T92.3Very high92.1Very high98 Ų9881 Ų8160%0.60140%0.402SS*.Hα-helixtrans-109.2-16.3-168.658.50000114.5Y324 L325Y324-T328 WeakPolarHBondContact O-CB 3.01Å; Y324-T328 WeakPolarHBondContact O-CG2 3.27Å; Y324-T328 PolarHBondContact O-N 3.1Å; Y324-T328 PolarHBondContact O-OG1 2.98Å; L325-T328 PolarHBondContact O-N 2.79Å
329W92.9Very high92.3Very high43 Ų4373.7 Ų73.716%0.16337%0.369CS..  trans-120126.5-179.1-175.487.2000111.5L325 P331 L335 H378 S381L325-W329 HydrophobicContact CD1-CB 3.65Å; L325-W329 HydrophobicContact CD1-CG 4.06Å; L325-W329 HydrophobicContact CG-CB 4.43Å; L325-W329 WeakPolarHBondContact O-CB 3.44Å; L325-W329 PolarHBondContact O-N 3.02Å; W329-P331 VanDerWaalsContact CH2-CA 3.42Å; W329-P331 HydrophobicContact CH2-CB 3.72Å; W329-P331 HydrophobicContact CZ3-CB 3.97Å; W329-P331 HydrophobicContact CZ3-CG 4.47Å; W329-L335 HydrophobicContact CH2-CD1 3.99Å; W329-L335 HydrophobicContact CZ2-CD1 4.13Å; W329-H378 HydrophobicContact CH2-CB 3.61Å; W329-H378 AromaticContact CH2-CG 3.85Å; W329-H378 AromaticContact CH2-ND1 3.47Å; W329-H378 WeakPolarHBondContact CH2-ND1 3.45Å; W329-H378 HydrophobicContact CZ2-CB 4.08Å; W329-H378 HydrophobicContact CZ3-CB 4.5Å; W329-H378 AromaticContact CZ3-ND1 3.83Å; W329-S381 VanDerWaalsContact CZ3-OG 3.23Å; W329-S381 WeakPolarHBondContact CZ3-OG 3.25Å
330S91.3Very high92.5Very high92 Ų9267.3 Ų67.364%0.64334%0.339SS*.  trans-110.2143.2168.155.90000109.9P332S330-P332 WeakPolarHBondContact O-CD 3.42Å
331P91.1Very high92.9Very high44 Ų4463.7 Ų63.729%0.28633%0.326SS..  trans-62.2125.9175.824.3-32.4000110.2W329 L335 Q336W329-P331 VanDerWaalsContact CH2-CA 3.42Å; W329-P331 HydrophobicContact CH2-CB 3.72Å; W329-P331 HydrophobicContact CZ3-CB 3.97Å; W329-P331 HydrophobicContact CZ3-CG 4.47Å; P331-L335 HydrophobicContact CB-CB 4.16Å; P331-L335 HydrophobicContact CB-CD1 4.39Å; P331-Q336 HydrophobicContact CB-CG 4.29Å; P331-Q336 HydrophobicContact CG-CG 4.12Å; P331-Q336 PolarHBondContact O-NE2 2.97Å
332P92.4Very high93.1Very high49 Ų4958.3 Ų58.332%0.31831%0.305SS..  trans-53.6152.1169.4-27.935.9000111.8S330 V334 L335 Q336 L370S330-P332 WeakPolarHBondContact O-CD 3.42Å; P332-V334 PolarHBondContact O-N 3.11Å; P332-V334 VanDerWaalsContact O-N 3.08Å; P332-L335 WeakPolarHBondContact O-CB 3.49Å; P332-L335 PolarHBondContact O-N 3.21Å; P332-Q336 PolarHBondContact O-N 3.28Å; P332-L370 HydrophobicContact CB-CD2 4.05Å; P332-L370 HydrophobicContact CG-CD2 4.18Å
333Q91.2Very high93.3Very high125 Ų12560.7 Ų60.758%0.58431%0.314SS*.Hα-helixtrans-51.2-38.8-177.8179.4175.9-4.600112.8L335 Q336 D337Q333-L335 PolarHBondContact O-N 2.75Å; Q333-Q336 WeakPolarHBondContact O-CA 3.5Å; Q333-Q336 WeakPolarHBondContact O-CB 3.47Å; Q333-Q336 PolarHBondContact O-N 2.81Å; Q333-D337 WeakPolarHBondContact CG-OD2 3.47Å; Q333-D337 PolarHBondContact NE2-OD2 3.29Å; Q333-D337 PolarHBondContact O-N 3.3Å
334V92.8Very high93.5Very high20 Ų2057 Ų5712%0.12129%0.294CS..Hα-helixtrans-57.1-33.1177.3-174.50000112.8P332 Y338 L366 A369 L370 V513 M517P332-V334 PolarHBondContact O-N 3.11Å; P332-V334 VanDerWaalsContact O-N 3.08Å; V334-Y338 HydrophobicContact CG1-CD2 4.13Å; V334-Y338 WeakPolarHBondContact O-CB 3.29Å; V334-Y338 WeakPolarHBondContact O-CD2 3.47Å; V334-Y338 PolarHBondContact O-N 3.44Å; V334-Y338 VanDerWaalsContact O-N 3.12Å; V334-L366 HydrophobicContact CG1-CD2 4.16Å; V334-A369 HydrophobicContact CG1-CB 3.92Å; V334-L370 HydrophobicContact CB-CD1 4.5Å; V334-L370 HydrophobicContact CB-CD2 4.18Å; V334-L370 HydrophobicContact CB-CG 4.45Å; V334-L370 HydrophobicContact CG1-CD1 4.3Å; V334-L370 HydrophobicContact CG1-CG 4.38Å; V334-V513 HydrophobicContact CG1-CG1 3.77Å; V334-V513 HydrophobicContact CG1-CG2 4.33Å; V334-M517 HydrophobicContact CG2-CB 4.15Å; V334-M517 HydrophobicContact CG2-CG 4.43Å; V334-M517 HydrophobicContact CG2-SD 3.92Å
335L93.8Very high93.6Very high5 Ų555.4 Ų55.43%0.02629%0.291CS..Hα-helixtrans-75.6-38.7173-72.9176.4000112.2W329 P331 P332 Q333 D337 Y339 L366 L370 L375 H378W329-L335 HydrophobicContact CH2-CD1 3.99Å; W329-L335 HydrophobicContact CZ2-CD1 4.13Å; P331-L335 HydrophobicContact CB-CB 4.16Å; P331-L335 HydrophobicContact CB-CD1 4.39Å; P332-L335 WeakPolarHBondContact O-CB 3.49Å; P332-L335 PolarHBondContact O-N 3.21Å; Q333-L335 PolarHBondContact O-N 2.75Å; L335-D337 VanDerWaalsContact C-N 3.31Å; L335-D337 PolarHBondContact O-N 3.12Å; L335-Y339 HydrophobicContact CD2-CD2 3.67Å; L335-Y339 HydrophobicContact CD2-CG 4.04Å; L335-Y339 WeakPolarHBondContact O-CB 3.32Å; L335-Y339 PolarHBondContact O-N 3.36Å; L335-L366 HydrophobicContact CD2-CD2 4.2Å; L335-L370 HydrophobicContact CD1-CD1 4.28Å; L335-L370 HydrophobicContact CD2-CD1 3.42Å; L335-L370 VanDerWaalsContact CD2-CD1 3.42Å; L335-L370 HydrophobicContact CG-CD1 3.53Å; L335-L375 HydrophobicContact CD2-CD2 4Å; L335-H378 HydrophobicContact CD1-CB 3.6Å
336Q91.1Very high93.7Very high114 Ų11457.5 Ų57.553%0.53330%0.3SS..Hα-helixtrans-63.2-40.2178.1-57.4-178.932.400111.4P331 P332 Q333P331-Q336 HydrophobicContact CB-CG 4.29Å; P331-Q336 HydrophobicContact CG-CG 4.12Å; P331-Q336 PolarHBondContact O-NE2 2.97Å; P332-Q336 PolarHBondContact O-N 3.28Å; Q333-Q336 WeakPolarHBondContact O-CA 3.5Å; Q333-Q336 WeakPolarHBondContact O-CB 3.47Å; Q333-Q336 PolarHBondContact O-N 2.81Å
337D91.4Very high93.8Very high67 Ų6754.2 Ų54.236%0.35828%0.283SS..Hα-helixtrans-84.8-31.8-174.7-64.6-7.9000113Q333 L335Q333-D337 WeakPolarHBondContact CG-OD2 3.47Å; Q333-D337 PolarHBondContact NE2-OD2 3.29Å; Q333-D337 PolarHBondContact O-N 3.3Å; L335-D337 VanDerWaalsContact C-N 3.31Å; L335-D337 PolarHBondContact O-N 3.12Å
338Y93.8Very high93.9Very high44 Ų4451.6 Ų51.617%0.17327%0.266CS..Hα-helixtrans-125.9-6.8-169.4-57.3-77.9000116.3V334 T340 L512 V513 P514 M517V334-Y338 HydrophobicContact CG1-CD2 4.13Å; V334-Y338 WeakPolarHBondContact O-CB 3.29Å; V334-Y338 WeakPolarHBondContact O-CD2 3.47Å; V334-Y338 PolarHBondContact O-N 3.44Å; V334-Y338 VanDerWaalsContact O-N 3.12Å; Y338-T340 PolarHBondContact O-N 3.24Å; Y338-L512 WeakPolarHBondContact CE1-O 3.44Å; Y338-V513 HydrophobicContact CD1-CG2 4.43Å; Y338-V513 HydrophobicContact CD2-CG2 4.26Å; Y338-V513 HydrophobicContact CG-CG2 3.91Å; Y338-P514 HydrophobicContact CE2-CG 4.36Å; Y338-P514 WeakPolarHBondContact OH-CD 3.36Å; Y338-P514 VanDerWaalsContact OH-CG 3.23Å; Y338-P514 WeakPolarHBondContact OH-CG 3.33Å; Y338-M517 HydrophobicContact CE2-CE 4.16Å; Y338-M517 HydrophobicContact CE2-SD 3.83Å
339Y95.3Very high94Very high20 Ų2050 Ų508%0.07825%0.254CS..  trans-81.8120.2177.7-165.9-96.3000111.2L335 G341 Y354 L356 M361 L366 H378 I382L335-Y339 HydrophobicContact CD2-CD2 3.67Å; L335-Y339 HydrophobicContact CD2-CG 4.04Å; L335-Y339 WeakPolarHBondContact O-CB 3.32Å; L335-Y339 PolarHBondContact O-N 3.36Å; Y339-G341 PolarHBondContact O-N 3.37Å; Y339-Y354 WeakPolarHBondContact CE1-OH 3.34Å; Y339-L356 HydrophobicContact CE1-CD1 4.17Å; Y339-M361 HydrophobicContact CD2-SD 4.19Å; Y339-M361 HydrophobicContact CE2-SD 3.91Å; Y339-L366 HydrophobicContact CD2-CD1 4.02Å; Y339-H378 AromaticContact CD1-CD2 3.91Å; Y339-H378 AromaticContact CD1-NE2 3.31Å; Y339-H378 VanDerWaalsContact CD1-NE2 3.31Å; Y339-H378 WeakPolarHBondContact CD1-NE2 3.29Å; Y339-H378 AromaticContact CD2-CD2 3.88Å; Y339-H378 AromaticContact CE1-CD2 3.83Å; Y339-H378 AromaticContact CE1-NE2 3.47Å; Y339-H378 WeakPolarHBondContact CE1-NE2 3.48Å; Y339-H378 AromaticContact CE2-CD2 3.8Å; Y339-H378 AromaticContact CG-CD2 3.93Å; Y339-H378 AromaticContact CG-NE2 3.63Å; Y339-H378 AromaticContact CZ-CD2 3.76Å; Y339-H378 AromaticContact CZ-NE2 3.92Å; Y339-I382 HydrophobicContact CE1-CD1 4.14Å
340T95.5Very high94.1Very high0 Ų048 Ų480%025%0.246CC..  trans-85.837.3-171.657.10000113.5Y338 R357 H360 M361 G510Y338-T340 PolarHBondContact O-N 3.24Å; T340-R357 PolarHBondContact O-N 3.18Å; T340-R357 PolarHBondContact OG1-O 3.33Å; T340-R357 VanDerWaalsContact OG1-O 3.06Å; T340-H360 HydrophobicContact CG2-CB 4.15Å; T340-M361 HydrophobicContact CG2-CB 4.38Å; T340-M361 WeakPolarHBondContact OG1-CB 3.38Å; T340-G510 VanDerWaalsContact CG2-CA 3.48Å
341G96.2Very high94.4Very high12 Ų1246 Ų4612%0.12423%0.225CC..EExtended strand (participates in β ladder)trans-141.3139.5-174.500000113.1Y339 Y354 I355Y339-G341 PolarHBondContact O-N 3.37Å; G341-Y354 WeakPolarHBondContact CA-OH 3.39Å; G341-I355 CarbonylContact C-O 3.52Å; G341-I355 WeakPolarHBondContact CA-O 3.27Å
342G96.4Very high94.7Very high16 Ų1644 Ų4417%0.16521%0.212CC..EExtended strand (participates in β ladder)trans-162.8162.6-17600000113.8Y354 I355G342-Y354 VanDerWaalsContact C-CE2 3.47Å; G342-Y354 PolarHBondContact N-OH 3.04Å; G342-Y354 WeakPolarHBondContact O-CD2 3.3Å; G342-I355 PolarHBondContact N-O 2.88Å; G342-I355 PolarHBondContact O-N 3.3Å
343W96.7Very high95Very high50 Ų5041.7 Ų41.719%0.18920%0.197CC..EExtended strand (participates in β ladder)trans-81.9127173.2-71.8102.1000110.8P352 Y354 I382 G386 R389 W404W343-P352 HydrophobicContact CE3-CB 3.97Å; W343-P352 HydrophobicContact CH2-CB 4.4Å; W343-P352 HydrophobicContact CZ3-CB 3.54Å; W343-Y354 AromaticContact CD2-CD2 3.64Å; W343-Y354 HydrophobicContact CD2-CD2 3.64Å; W343-Y354 HydrophobicContact CD2-CE2 4.46Å; W343-Y354 AromaticContact CE2-CD2 3.63Å; W343-Y354 HydrophobicContact CE3-CD2 4Å; W343-Y354 AromaticContact CG-CD2 3.96Å; W343-Y354 HydrophobicContact CG-CD2 3.96Å; W343-Y354 HydrophobicContact CG-CE2 4.43Å; W343-Y354 HydrophobicContact CH2-CD2 4.3Å; W343-Y354 AromaticContact CZ2-CD2 3.97Å; W343-Y354 HydrophobicContact CZ2-CD2 3.97Å; W343-Y354 HydrophobicContact CZ3-CD2 4.31Å; W343-Y354 HydrophobicContact CZ3-CG 4.5Å; W343-Y354 AromaticContact NE1-CD2 3.94Å; W343-I382 HydrophobicContact CZ2-CG2 4.03Å; W343-I382 WeakPolarHBondContact CZ2-O 3.33Å; W343-G386 VanDerWaalsContact CH2-CA 3.42Å; W343-R389 VanDerWaalsContact CB-CZ 3.47Å; W343-W404 HydrophobicContact CH2-CB 4.01Å; W343-W404 AromaticContact CH2-CD2 3.85Å; W343-W404 HydrophobicContact CH2-CD2 3.85Å; W343-W404 AromaticContact CH2-CE3 3.72Å; W343-W404 HydrophobicContact CH2-CE3 3.72Å; W343-W404 AromaticContact CH2-CG 3.99Å; W343-W404 HydrophobicContact CH2-CG 3.99Å; W343-W404 HydrophobicContact CH2-CZ3 4.44Å; W343-W404 HydrophobicContact CZ3-CB 4.14Å; W343-W404 HydrophobicContact CZ3-CE3 4.2Å
344H94.9Very high95.3Very high22 Ų2236.2 Ų36.210%0.10217%0.171CC..EExtended strand (participates in β ladder)trans-97.4-155.6171.1-157.236.7000109.9L353 I355 I494 C503H344-L353 HydrophobicContact CB-CB 4.37Å; H344-L353 HydrophobicContact CB-CD2 4.27Å; H344-L353 HydrophobicContact CB-CG 4.16Å; H344-L353 PolarHBondContact N-O 3.35Å; H344-I355 HydrophobicContact CB-CD1 3.73Å; H344-I355 HydrophobicContact CB-CG1 4.21Å; H344-I494 PolarHBondContact CD2-O 2.72Å; H344-I494 PolarHBondContact NE2-O 3.38Å; H344-C503 PolarHBondContact CE1-SG 3.22Å
345H95.5Very high95.6Very high101 Ų10135.2 Ų35.247%0.46817%0.165SC..EExtended strand (participates in β ladder)trans-68.1-132173-58.9-88.1000112.6L353 I494H345-L353 PolarHBondContact O-N 2.98Å; H345-I494 HydrophobicContact CB-CD1 4.06Å; H345-I494 HydrophobicContact CB-CG1 4.31Å; H345-I494 HydrophobicContact CB-CG2 3.81Å
346H96.1Very high95.8Very high57 Ų5736.2 Ų36.226%0.26417%0.17SC..EExtended strand (participates in β ladder)trans-132.9160.9177.455.566.2000110.6R351 F397H346-R351 CarbonylContact C-O 3.54Å; H346-R351 WeakPolarHBondContact CA-O 3.18Å; H346-R351 VanDerWaalsContact CB-O 3.27Å; H346-R351 WeakPolarHBondContact CB-O 3.34Å; H346-F397 AromaticContact CD2-CZ 3.83Å; H346-F397 AromaticContact CE1-CZ 3.99Å; H346-F397 AromaticContact NE2-CZ 3.72Å
347D95.6Very high96Very high0 Ų031.6 Ų31.60%015%0.148CC..  trans-79.217917079.33.5000111.6D349 G350 R351 T405 R443 Y489D347-D349 PolarHBondContact O-N 3.23Å; D347-D349 WeakPolarHBondContact OD1-CA 3.32Å; D347-D349 WeakPolarHBondContact OD1-CB 3.47Å; D347-D349 PolarHBondContact OD1-N 3.29Å; D347-G350 WeakPolarHBondContact O-CA 3.4Å; D347-G350 PolarHBondContact O-N 3.27Å; D347-G350 PolarHBondContact OD1-N 3.06Å; D347-G350 VanDerWaalsContact OD1-N 3.15Å; D347-R351 PolarHBondContact N-O 3.22Å; D347-R351 VanDerWaalsContact OD1-CB 3.32Å; D347-R351 WeakPolarHBondContact OD1-CB 3.29Å; D347-R351 PolarHBondContact OD1-N 3.18Å; D347-R351 WeakPolarHBondContact OD2-CD 3.47Å; D347-T405 WeakPolarHBondContact OD2-CB 3.2Å; D347-T405 PolarHBondContact OD2-OG1 3.06Å; D347-R443 IonicContact OD2-NH1 2.64Å; D347-Y489 WeakPolarHBondContact CB-O 3.39Å
348R95Very high96.1Very high105 Ų10529.7 Ų29.740%0.39614%0.138SC..THydrogen-bonded Turntrans-62.6-24.1178.5-70.7176.5178.3-64.5-7.7113.6G350 V487 D488 Y489 I490 D491R348-G350 PolarHBondContact O-N 2.92Å; R348-V487 PolarHBondContact NE-O 3.12Å; R348-V487 PolarHBondContact NH2-O 2.97Å; R348-D488 WeakPolarHBondContact CD-O 3.48Å; R348-Y489 WeakPolarHBondContact CB-O 3.36Å; R348-Y489 WeakPolarHBondContact CG-O 3.41Å; R348-Y489 PolarHBondContact N-O 3.02Å; R348-I490 PolarHBondContact NH2-O 2.9Å; R348-D491 IonicContact CZ-OD1 3.1Å; R348-D491 VanDerWaalsContact CZ-OD1 3.23Å; R348-D491 IonicContact NH1-OD1 3.85Å; R348-D491 PolarHBondContact NH1-OD1 3.08Å; R348-D491 IonicContact NH1-OD2 2.8Å; R348-D491 IonicContact NH2-OD1 2.79Å; R348-D491 PolarHBondContact NH2-OD1 3.12Å
349D94.5Very high95.8Very high63 Ų6327.6 Ų27.634%0.33713%0.129SC..THydrogen-bonded Turntrans-81.8-2.1174.7-65.8-43.1000111.4D347 R351 R399 R443D347-D349 PolarHBondContact O-N 3.23Å; D347-D349 WeakPolarHBondContact OD1-CA 3.32Å; D347-D349 WeakPolarHBondContact OD1-CB 3.47Å; D347-D349 PolarHBondContact OD1-N 3.29Å; D349-R351 VanDerWaalsContact C-N 3.26Å; D349-R351 HydrophobicContact CB-CG 3.99Å; D349-R351 IonicContact OD2-CZ 2.82Å; D349-R351 IonicContact OD2-NE 2.72Å; D349-R351 IonicContact OD2-NH2 3.2Å; D349-R399 PolarHBondContact O-NH2 3.45Å; D349-R443 IonicContact OD2-NH1 3.75Å
350G95.7Very high95.5Very high1 Ų129.3 Ų29.31%0.0114%0.138CC..  trans78.59.8-176.600000112.8D347 R348 N393D347-G350 WeakPolarHBondContact O-CA 3.4Å; D347-G350 PolarHBondContact O-N 3.27Å; D347-G350 PolarHBondContact OD1-N 3.06Å; D347-G350 VanDerWaalsContact OD1-N 3.15Å; R348-G350 PolarHBondContact O-N 2.92Å; G350-N393 PolarHBondContact O-ND2 3.15Å
351R97.5Very high95.3Very high52 Ų5230.3 Ų30.320%0.19614%0.143CC..PPolyproline II helixtrans-73.6134.7179.5-56.6175.3-173.8174.3-1.6109.1H346 D347 D349 L353 C403 G442H346-R351 CarbonylContact C-O 3.54Å; H346-R351 WeakPolarHBondContact CA-O 3.18Å; H346-R351 VanDerWaalsContact CB-O 3.27Å; H346-R351 WeakPolarHBondContact CB-O 3.34Å; D347-R351 PolarHBondContact N-O 3.22Å; D347-R351 VanDerWaalsContact OD1-CB 3.32Å; D347-R351 WeakPolarHBondContact OD1-CB 3.29Å; D347-R351 PolarHBondContact OD1-N 3.18Å; D347-R351 WeakPolarHBondContact OD2-CD 3.47Å; D349-R351 VanDerWaalsContact C-N 3.26Å; D349-R351 HydrophobicContact CB-CG 3.99Å; D349-R351 IonicContact OD2-CZ 2.82Å; D349-R351 IonicContact OD2-NE 2.72Å; D349-R351 IonicContact OD2-NH2 3.2Å; R351-L353 PolarHBondContact O-N 3.01Å; R351-C403 WeakPolarHBondContact CB-O 3.37Å; R351-C403 WeakPolarHBondContact CG-O 3.17Å; R351-G442 VanDerWaalsContact NH1-C 3.28Å; R351-G442 PolarHBondContact NH1-O 2.78Å; R351-G442 VanDerWaalsContact NH1-O 3.09Å
352P98.3Very high95Very high2 Ų230.3 Ų30.31%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-52.5132173.1-25.534.5000110.9W343 R389 W404 T405W343-P352 HydrophobicContact CE3-CB 3.97Å; W343-P352 HydrophobicContact CH2-CB 4.4Å; W343-P352 HydrophobicContact CZ3-CB 3.54Å; P352-R389 HydrophobicContact CB-CB 3.87Å; P352-R389 HydrophobicContact CG-CB 3.5Å; P352-R389 VanDerWaalsContact CG-CB 3.5Å; P352-W404 HydrophobicContact CB-CB 4.29Å; P352-W404 WeakPolarHBondContact O-CB 3.42Å; P352-T405 PolarHBondContact O-N 2.92Å
353L97.9Very high94.6Very high0 Ų030.5 Ų30.50%014%0.138CC..EExtended strand (participates in β ladder)trans-99.3117.2-178.4176.558.5000109.7H344 H345 R351 I355 T405 L407 I490 I494H344-L353 HydrophobicContact CB-CB 4.37Å; H344-L353 HydrophobicContact CB-CD2 4.27Å; H344-L353 HydrophobicContact CB-CG 4.16Å; H344-L353 PolarHBondContact N-O 3.35Å; H345-L353 PolarHBondContact O-N 2.98Å; R351-L353 PolarHBondContact O-N 3.01Å; L353-I355 HydrophobicContact CG-CG1 4.36Å; L353-T405 CarbonylContact C-O 3.33Å; L353-T405 WeakPolarHBondContact CA-O 3.5Å; L353-T405 HydrophobicContact CD1-CG2 3.94Å; L353-L407 HydrophobicContact CD1-CB 4.15Å; L353-I490 HydrophobicContact CD1-CD1 4.28Å; L353-I490 HydrophobicContact CD2-CD1 3.83Å; L353-I490 HydrophobicContact CD2-CG1 4.37Å; L353-I490 HydrophobicContact CD2-CG2 4.37Å; L353-I494 HydrophobicContact CD2-CG2 4.29Å
354Y98.3Very high93.9Very high9 Ų928.4 Ų28.44%0.03513%0.13CC..EExtended strand (participates in β ladder)trans-100.1136.3170.6-167.3-101.1000109.8Y339 G341 G342 W343 L356 I382 W404 T405 C406 L407Y339-Y354 WeakPolarHBondContact CE1-OH 3.34Å; G341-Y354 WeakPolarHBondContact CA-OH 3.39Å; G342-Y354 VanDerWaalsContact C-CE2 3.47Å; G342-Y354 PolarHBondContact N-OH 3.04Å; G342-Y354 WeakPolarHBondContact O-CD2 3.3Å; W343-Y354 AromaticContact CD2-CD2 3.64Å; W343-Y354 HydrophobicContact CD2-CD2 3.64Å; W343-Y354 HydrophobicContact CD2-CE2 4.46Å; W343-Y354 AromaticContact CE2-CD2 3.63Å; W343-Y354 HydrophobicContact CE3-CD2 4Å; W343-Y354 AromaticContact CG-CD2 3.96Å; W343-Y354 HydrophobicContact CG-CD2 3.96Å; W343-Y354 HydrophobicContact CG-CE2 4.43Å; W343-Y354 HydrophobicContact CH2-CD2 4.3Å; W343-Y354 AromaticContact CZ2-CD2 3.97Å; W343-Y354 HydrophobicContact CZ2-CD2 3.97Å; W343-Y354 HydrophobicContact CZ3-CD2 4.31Å; W343-Y354 HydrophobicContact CZ3-CG 4.5Å; W343-Y354 AromaticContact NE1-CD2 3.94Å; Y354-L356 HydrophobicContact CE1-CB 4.17Å; Y354-I382 HydrophobicContact CD2-CG2 3.89Å; Y354-I382 HydrophobicContact CE1-CG2 4.28Å; Y354-I382 HydrophobicContact CE2-CD1 4.35Å; Y354-I382 HydrophobicContact CE2-CG1 4.17Å; Y354-I382 HydrophobicContact CE2-CG2 3.6Å; Y354-I382 HydrophobicContact CG-CG2 4.36Å; Y354-I382 WeakPolarHBondContact OH-CD1 3.34Å; Y354-W404 HydrophobicContact CD1-CZ3 4.18Å; Y354-W404 HydrophobicContact CG-CZ3 4.04Å; Y354-T405 PolarHBondContact N-O 2.85Å; Y354-C406 CarbonylContact O-C 3.48Å; Y354-C406 WeakPolarHBondContact O-CA 3.16Å; Y354-L407 PolarHBondContact O-N 3.27Å
355I98Very high93.5Very high0 Ų027.4 Ų27.40%013%0.126CC..EExtended strand (participates in β ladder)trans-117.5134177.7-67.4174.3000108.6G341 G342 H344 L353 R357 L407 P496 F498 V507G341-I355 CarbonylContact C-O 3.52Å; G341-I355 WeakPolarHBondContact CA-O 3.27Å; G342-I355 PolarHBondContact N-O 2.88Å; G342-I355 PolarHBondContact O-N 3.3Å; H344-I355 HydrophobicContact CB-CD1 3.73Å; H344-I355 HydrophobicContact CB-CG1 4.21Å; L353-I355 HydrophobicContact CG-CG1 4.36Å; I355-R357 HydrophobicContact CG2-CG 4.44Å; I355-L407 CarbonylContact C-O 3.48Å; I355-L407 WeakPolarHBondContact CA-O 3.32Å; I355-L407 HydrophobicContact CG1-CB 4.28Å; I355-L407 HydrophobicContact CG2-CD2 4.45Å; I355-P496 HydrophobicContact CD1-CG 3.64Å; I355-F498 HydrophobicContact CG2-CZ 4.22Å; I355-V507 HydrophobicContact CB-CG2 4.02Å; I355-V507 HydrophobicContact CG2-CG2 4.07Å
356L97.3Very high93.3Very high26 Ų2622.7 Ų22.714%0.13610%0.104CC..EExtended strand (participates in β ladder)trans-132.9111.4175.3178.166000110.2Y339 Y354 L358 L407 V408 D409Y339-L356 HydrophobicContact CE1-CD1 4.17Å; Y354-L356 HydrophobicContact CE1-CB 4.17Å; L356-L358 VanDerWaalsContact C-N 3.25Å; L356-L358 HydrophobicContact CD2-CB 4.39Å; L356-L358 HydrophobicContact CG-CB 4.26Å; L356-L358 PolarHBondContact O-N 3.12Å; L356-L407 PolarHBondContact N-O 3.26Å; L356-V408 HydrophobicContact CB-CG2 4.45Å; L356-V408 HydrophobicContact CD2-CG2 4.46Å; L356-V408 CarbonylContact O-C 3.35Å; L356-V408 WeakPolarHBondContact O-CA 3.5Å; L356-D409 PolarHBondContact O-N 3.11Å
357R95.6Very high92.8Very high16 Ų1620.8 Ų20.86%0.0610%0.096CC..  trans-85.165.3175.3-57.9177.269.6-175.80.8110.4T340 I355 G359 H360 D409 F498 E509T340-R357 PolarHBondContact O-N 3.18Å; T340-R357 PolarHBondContact OG1-O 3.33Å; T340-R357 VanDerWaalsContact OG1-O 3.06Å; I355-R357 HydrophobicContact CG2-CG 4.44Å; R357-G359 VanDerWaalsContact C-N 3.29Å; R357-G359 PolarHBondContact O-N 3.12Å; R357-H360 HydrophobicContact CB-CB 4.35Å; R357-H360 PolarHBondContact NH2-CE1 2.95Å; R357-H360 WeakPolarHBondContact O-CB 3.5Å; R357-H360 PolarHBondContact O-N 3.49Å; R357-D409 CarbonylContact C-O 3.55Å; R357-D409 HydrophobicContact CG-CB 4.41Å; R357-F498 HydrophobicContact CG-CE2 4.19Å; R357-F498 HydrophobicContact CG-CZ 3.94Å; R357-E509 IonicContact NH1-OE1 3.76Å
358L93.5Very high92.3Very high27 Ų2722.7 Ų22.714%0.14110%0.103CC..G310 helixtrans-56-38.7-170.3177.161.1000113.3L356 H360 M361 V408 D409 L410 L413 L456L356-L358 VanDerWaalsContact C-N 3.25Å; L356-L358 HydrophobicContact CD2-CB 4.39Å; L356-L358 HydrophobicContact CG-CB 4.26Å; L356-L358 PolarHBondContact O-N 3.12Å; L358-H360 PolarHBondContact O-N 3.12Å; L358-M361 HydrophobicContact CD1-CE 3.66Å; L358-M361 VanDerWaalsContact O-CB 3.31Å; L358-M361 WeakPolarHBondContact O-CB 3.31Å; L358-M361 PolarHBondContact O-N 3.03Å; L358-M361 VanDerWaalsContact O-N 3.15Å; L358-V408 HydrophobicContact CB-CG1 3.89Å; L358-V408 HydrophobicContact CD2-CG1 4.24Å; L358-D409 PolarHBondContact N-O 3.07Å; L358-L410 HydrophobicContact CB-CD2 4.06Å; L358-L410 HydrophobicContact CD2-CD2 3.81Å; L358-L410 HydrophobicContact CG-CD2 4.3Å; L358-L413 HydrophobicContact CD2-CD1 4.42Å; L358-L413 HydrophobicContact CG-CD1 4.33Å; L358-L456 HydrophobicContact CD2-CD2 4.39Å
359G87.7Confident91.9Very high0 Ų018 Ų180%09%0.088CC..G310 helixtrans-70.4-15.9-179.400000114.6R357 D409 E411 G412 R416 H417R357-G359 VanDerWaalsContact C-N 3.29Å; R357-G359 PolarHBondContact O-N 3.12Å; G359-D409 PolarHBondContact N-O 3.45Å; G359-E411 CarbonylContact C-O 3.59Å; G359-E411 WeakPolarHBondContact CA-O 3.39Å; G359-G412 CarbonylContact O-C 3.57Å; G359-R416 PolarHBondContact O-NH2 3.08Å; G359-H417 PolarHBondContact O-CE1 2.82Å; G359-H417 PolarHBondContact O-NE2 3.01Å
360H90.3Very high91.6Very high56 Ų5615.2 Ų15.226%0.2597%0.073SC..G310 helixtrans-87.8-16.2172.6-75.9-127.9000112.9T340 R357 L358 E411T340-H360 HydrophobicContact CG2-CB 4.15Å; R357-H360 HydrophobicContact CB-CB 4.35Å; R357-H360 PolarHBondContact NH2-CE1 2.95Å; R357-H360 WeakPolarHBondContact O-CB 3.5Å; R357-H360 PolarHBondContact O-N 3.49Å; L358-H360 PolarHBondContact O-N 3.12Å; H360-E411 PolarHBondContact CD2-O 2.87Å
361M91.4Very high91.1Very high21 Ų2115.3 Ų15.310%0.1037%0.074CC..BIsolated β-bridgetrans-71.2130.2-172.3-160.7172.572.200113Y339 T340 L358 T363 L366 H417Y339-M361 HydrophobicContact CD2-SD 4.19Å; Y339-M361 HydrophobicContact CE2-SD 3.91Å; T340-M361 HydrophobicContact CG2-CB 4.38Å; T340-M361 WeakPolarHBondContact OG1-CB 3.38Å; L358-M361 HydrophobicContact CD1-CE 3.66Å; L358-M361 VanDerWaalsContact O-CB 3.31Å; L358-M361 WeakPolarHBondContact O-CB 3.31Å; L358-M361 PolarHBondContact O-N 3.03Å; L358-M361 VanDerWaalsContact O-N 3.15Å; M361-T363 VanDerWaalsContact C-N 3.29Å; M361-T363 HydrophobicContact CE-CG2 4.26Å; M361-T363 WeakPolarHBondContact CE-OG1 3.34Å; M361-T363 PolarHBondContact O-N 3.4Å; M361-L366 HydrophobicContact CG-CD1 3.57Å; M361-L366 HydrophobicContact SD-CD1 3.89Å; M361-H417 PolarHBondContact O-NE2 3.25Å
362D89.2Confident90.5Very high12 Ų1214.7 Ų14.76%0.0647%0.073CC..  trans-80.875.5168-177.79.6000110.9K364 G365 L366 G511 L512 V513D362-K364 PolarHBondContact O-N 3.43Å; D362-K364 PolarHBondContact OD1-N 3.1Å; D362-G365 PolarHBondContact O-N 3.45Å; D362-G365 PolarHBondContact OD1-N 3.34Å; D362-G365 WeakPolarHBondContact OD2-CA 3.49Å; D362-L366 WeakPolarHBondContact O-CB 3.47Å; D362-L366 WeakPolarHBondContact O-CG 3.34Å; D362-L366 PolarHBondContact O-N 2.84Å; D362-G511 VanDerWaalsContact CB-O 3.28Å; D362-G511 WeakPolarHBondContact CB-O 3.33Å; D362-L512 HydrophobicContact CB-CD2 4.48Å; D362-L512 WeakPolarHBondContact OD2-CA 3.31Å; D362-V513 HydrophobicContact CB-CG2 4.45Å; D362-V513 PolarHBondContact OD2-N 2.77Å
363T87.6Confident89.9Confident20 Ų2017.9 Ų17.912%0.1239%0.088CC..Hα-helixtrans-56.5-36.3179.4-47.50000112.5M361 V367M361-T363 VanDerWaalsContact C-N 3.29Å; M361-T363 HydrophobicContact CE-CG2 4.26Å; M361-T363 WeakPolarHBondContact CE-OG1 3.34Å; M361-T363 PolarHBondContact O-N 3.4Å; T363-V367 HydrophobicContact CG2-CG2 4.47Å; T363-V367 WeakPolarHBondContact O-CB 3.17Å; T363-V367 WeakPolarHBondContact O-CG2 3.37Å; T363-V367 PolarHBondContact O-N 3.09Å; T363-V367 VanDerWaalsContact O-N 3.11Å
364K82.4Confident89.6Confident7 Ų718.6 Ų18.63%0.039%0.093CC..Hα-helixtrans-69.4-48.8179.1179.4175.6169.5-177.90110.3D362 V367 R368 W419 D564 D566D362-K364 PolarHBondContact O-N 3.43Å; D362-K364 PolarHBondContact OD1-N 3.1Å; K364-V367 PolarHBondContact O-N 2.78Å; K364-R368 HydrophobicContact CG-CG 4.37Å; K364-R368 WeakPolarHBondContact O-CB 3.49Å; K364-R368 WeakPolarHBondContact O-CG 3.46Å; K364-R368 PolarHBondContact O-N 2.85Å; K364-W419 HydrophobicContact CB-CD2 4.34Å; K364-W419 HydrophobicContact CB-CE3 3.99Å; K364-W419 HydrophobicContact CB-CZ3 4.22Å; K364-W419 HydrophobicContact CG-CD2 4.22Å; K364-W419 HydrophobicContact CG-CE3 4.13Å; K364-W419 HydrophobicContact CG-CH2 4.15Å; K364-W419 HydrophobicContact CG-CZ2 4.23Å; K364-W419 HydrophobicContact CG-CZ3 4.11Å; K364-D564 IonicContact NZ-OD1 2.94Å; K364-D564 PolarHBondContact NZ-OD1 2.94Å; K364-D564 IonicContact NZ-OD2 3.68Å; K364-D564 PolarHBondContact NZ-OD2 2.98Å; K364-D566 IonicContact NZ-OD1 3.47Å; K364-D566 PolarHBondContact NZ-OD1 3.28Å; K364-D566 IonicContact NZ-OD2 3.7Å
365G86.2Confident89.3Confident0 Ų018.9 Ų18.90%010%0.095CC..Hα-helixtrans-61.1-46.2178.400000112.9D362 R368 A369 Y518D362-G365 PolarHBondContact O-N 3.45Å; D362-G365 PolarHBondContact OD1-N 3.34Å; D362-G365 WeakPolarHBondContact OD2-CA 3.49Å; G365-R368 PolarHBondContact O-N 2.9Å; G365-A369 WeakPolarHBondContact O-CB 3.33Å; G365-A369 PolarHBondContact O-N 2.97Å; G365-Y518 WeakPolarHBondContact CA-OH 3.41Å
366L90.6Very high89.1Confident2 Ų219.2 Ų19.21%0.0110%0.096CC..Hα-helixtrans-59.6-48.9176.5-72.7174.8000112V334 L335 Y339 M361 D362 R368 A369 L370 L375 V513V334-L366 HydrophobicContact CG1-CD2 4.16Å; L335-L366 HydrophobicContact CD2-CD2 4.2Å; Y339-L366 HydrophobicContact CD2-CD1 4.02Å; M361-L366 HydrophobicContact CG-CD1 3.57Å; M361-L366 HydrophobicContact SD-CD1 3.89Å; D362-L366 WeakPolarHBondContact O-CB 3.47Å; D362-L366 WeakPolarHBondContact O-CG 3.34Å; D362-L366 PolarHBondContact O-N 2.84Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.26Å; L366-A369 PolarHBondContact O-N 2.78Å; L366-L370 HydrophobicContact CB-CD1 4.5Å; L366-L370 HydrophobicContact CD2-CD1 3.94Å; L366-L370 VanDerWaalsContact O-CB 3.23Å; L366-L370 WeakPolarHBondContact O-CB 3.49Å; L366-L370 PolarHBondContact O-N 2.78Å; L366-L375 HydrophobicContact CB-CD2 4.29Å; L366-V513 HydrophobicContact CD2-CG2 3.97Å; L366-V513 HydrophobicContact CG-CG2 4.08Å
367V87.2Confident88.9Confident18 Ų1824.1 Ų24.111%0.10911%0.113CC..Hα-helixtrans-62.7-38.1177.3170.40000111.6T363 K364 G371 L375 W419T363-V367 HydrophobicContact CG2-CG2 4.47Å; T363-V367 WeakPolarHBondContact O-CB 3.17Å; T363-V367 WeakPolarHBondContact O-CG2 3.37Å; T363-V367 PolarHBondContact O-N 3.09Å; T363-V367 VanDerWaalsContact O-N 3.11Å; K364-V367 PolarHBondContact O-N 2.78Å; V367-G371 WeakPolarHBondContact O-CA 3.46Å; V367-G371 PolarHBondContact O-N 3.27Å; V367-L375 HydrophobicContact CB-CD1 4.28Å; V367-L375 HydrophobicContact CG2-CD1 3.47Å; V367-L375 VanDerWaalsContact CG2-CD1 3.47Å; V367-W419 HydrophobicContact CB-CH2 4.44Å; V367-W419 HydrophobicContact CB-CZ3 3.86Å; V367-W419 HydrophobicContact CG1-CH2 4.02Å; V367-W419 HydrophobicContact CG1-CZ3 3.78Å; V367-W419 HydrophobicContact CG2-CZ3 4.35Å
368R83.3Confident89Confident39 Ų3924.3 Ų24.315%0.14712%0.115CC..Hα-helixtrans-70.9-29.7178-71.8-69.6-169.5168.15.8113.7K364 G365 L366 W419 Y518 R519K364-R368 HydrophobicContact CG-CG 4.37Å; K364-R368 WeakPolarHBondContact O-CB 3.49Å; K364-R368 WeakPolarHBondContact O-CG 3.46Å; K364-R368 PolarHBondContact O-N 2.85Å; G365-R368 PolarHBondContact O-N 2.9Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.26Å; R368-W419 HydrophobicContact CG-CH2 4.48Å; R368-Y518 HydrophobicContact CB-CD1 4.08Å; R368-Y518 HydrophobicContact CB-CD2 3.67Å; R368-Y518 HydrophobicContact CB-CE1 4.25Å; R368-Y518 HydrophobicContact CB-CE2 3.83Å; R368-Y518 HydrophobicContact CB-CG 3.8Å; R368-Y518 HydrophobicContact CG-CD2 4.18Å; R368-Y518 HydrophobicContact CG-CE2 4.06Å; R368-R519 PolarHBondContact O-N 2.72Å
369A88.6Confident89.1Confident8 Ų824.2 Ų24.27%0.06612%0.115CC..Hα-helixtrans-86.3-30.9177.200000113.6V334 G365 L366 V513 M517 R519V334-A369 HydrophobicContact CG1-CB 3.92Å; G365-A369 WeakPolarHBondContact O-CB 3.33Å; G365-A369 PolarHBondContact O-N 2.97Å; L366-A369 PolarHBondContact O-N 2.78Å; A369-V513 HydrophobicContact CB-CG1 4.05Å; A369-M517 WeakPolarHBondContact CA-O 3.34Å; A369-M517 WeakPolarHBondContact CB-O 3.11Å; A369-R519 WeakPolarHBondContact O-CG 3.32Å; A369-R519 PolarHBondContact O-NE 3.35Å
370L88Confident89.5Confident4 Ų424.6 Ų24.62%0.02112%0.117CC..Hα-helixtrans-119.1-20.9-166.3-62.5166.4000114.7P332 V334 L335 L366 S374 L375 R519P332-L370 HydrophobicContact CB-CD2 4.05Å; P332-L370 HydrophobicContact CG-CD2 4.18Å; V334-L370 HydrophobicContact CB-CD1 4.5Å; V334-L370 HydrophobicContact CB-CD2 4.18Å; V334-L370 HydrophobicContact CB-CG 4.45Å; V334-L370 HydrophobicContact CG1-CD1 4.3Å; V334-L370 HydrophobicContact CG1-CG 4.38Å; L335-L370 HydrophobicContact CD1-CD1 4.28Å; L335-L370 HydrophobicContact CD2-CD1 3.42Å; L335-L370 VanDerWaalsContact CD2-CD1 3.42Å; L335-L370 HydrophobicContact CG-CD1 3.53Å; L366-L370 HydrophobicContact CB-CD1 4.5Å; L366-L370 HydrophobicContact CD2-CD1 3.94Å; L366-L370 VanDerWaalsContact O-CB 3.23Å; L366-L370 WeakPolarHBondContact O-CB 3.49Å; L366-L370 PolarHBondContact O-N 2.78Å; L370-S374 WeakPolarHBondContact O-CB 3.47Å; L370-L375 HydrophobicContact CB-CG 4.4Å; L370-L375 HydrophobicContact CD1-CD2 4.03Å; L370-R519 VanDerWaalsContact C-CZ 3.44Å; L370-R519 PolarHBondContact O-NH1 2.96Å; L370-R519 PolarHBondContact O-NH2 2.72Å
371G85Confident89.9Confident3 Ų322.5 Ų22.53%0.03111%0.109CC..Hα-helixtrans70.3169.8-171.200000113.8V367 L375V367-G371 WeakPolarHBondContact O-CA 3.46Å; V367-G371 PolarHBondContact O-N 3.27Å; G371-L375 PolarHBondContact O-N 2.86Å
372E84.4Confident90.1Very high39 Ų3922 Ų2218%0.18211%0.107CC..Hα-helixtrans-63.6-45-177.7-171.9170.3166.100111.2S374 L375 L376 K424 A425 R428E372-S374 PolarHBondContact O-N 3.18Å; E372-L375 PolarHBondContact O-N 3.08Å; E372-L376 PolarHBondContact O-N 3.37Å; E372-K424 IonicContact OE2-NZ 3.79Å; E372-K424 PolarHBondContact OE2-NZ 3.4Å; E372-A425 HydrophobicContact CG-CB 3.9Å; E372-R428 WeakPolarHBondContact OE1-CB 3.35Å; E372-R428 WeakPolarHBondContact OE1-CG 3.31Å
373E86.1Confident90.5Very high69 Ų6921.6 Ų21.632%0.32210%0.104SC..Hα-helixtrans-67.8-35.9-175.7-72.6-60.7127.400114L376 R377E373-L376 PolarHBondContact O-N 2.89Å; E373-R377 WeakPolarHBondContact O-CG 3.39Å; E373-R377 PolarHBondContact O-N 3.44Å
374S90.5Very high91Very high15 Ų1521.7 Ų21.711%0.10510%0.103CC..Hα-helixtrans-72.8-31.5176.9-170.60000112.3L370 E372 H378L370-S374 WeakPolarHBondContact O-CB 3.47Å; E372-S374 PolarHBondContact O-N 3.18Å; S374-H378 PolarHBondContact O-N 2.95Å; S374-H378 VanDerWaalsContact O-N 3.1Å
375L92.8Very high91.7Very high15 Ų1522.5 Ų22.58%0.07911%0.107CC..Hα-helixtrans-71-40.9172.7-72169.8000111.1L335 L366 V367 L370 G371 E372 H378 V379L335-L375 HydrophobicContact CD2-CD2 4Å; L366-L375 HydrophobicContact CB-CD2 4.29Å; V367-L375 HydrophobicContact CB-CD1 4.28Å; V367-L375 HydrophobicContact CG2-CD1 3.47Å; V367-L375 VanDerWaalsContact CG2-CD1 3.47Å; L370-L375 HydrophobicContact CB-CG 4.4Å; L370-L375 HydrophobicContact CD1-CD2 4.03Å; G371-L375 PolarHBondContact O-N 2.86Å; E372-L375 PolarHBondContact O-N 3.08Å; L375-H378 PolarHBondContact O-N 2.93Å; L375-V379 PolarHBondContact O-N 2.89Å
376L93.1Very high92.2Very high6 Ų622.5 Ų22.53%0.03111%0.107CC..Hα-helixtrans-58.3-50.9172179.659.9000111E372 E373 H378 V379 L380 I429 V432E372-L376 PolarHBondContact O-N 3.37Å; E373-L376 PolarHBondContact O-N 2.89Å; L376-H378 VanDerWaalsContact C-N 3.26Å; L376-H378 PolarHBondContact O-N 2.95Å; L376-V379 PolarHBondContact O-N 3.43Å; L376-V379 VanDerWaalsContact O-N 3.12Å; L376-L380 HydrophobicContact CD1-CD1 4.5Å; L376-L380 HydrophobicContact CD1-CG 4.31Å; L376-L380 HydrophobicContact CG-CD1 4.2Å; L376-L380 HydrophobicContact CG-CG 4.43Å; L376-L380 VanDerWaalsContact O-CG 3.29Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 3.45Å; L376-I429 HydrophobicContact CB-CG1 4.39Å; L376-I429 HydrophobicContact CD1-CB 4.46Å; L376-I429 HydrophobicContact CD1-CG1 3.88Å; L376-V432 HydrophobicContact CD1-CB 4.06Å; L376-V432 HydrophobicContact CD1-CG1 4.1Å; L376-V432 HydrophobicContact CD1-CG2 4.29Å; L376-V432 HydrophobicContact CD2-CG2 4.34Å
377R94.3Very high92.5Very high130 Ų13023.6 Ų23.649%0.49111%0.113SC..Hα-helixtrans-56.6-37.9175.9-73.5178.3-166.9-168.85.6113E373 L380 S381E373-R377 WeakPolarHBondContact O-CG 3.39Å; E373-R377 PolarHBondContact O-N 3.44Å; R377-L380 PolarHBondContact O-N 3.01Å; R377-S381 PolarHBondContact O-N 3.03Å
378H95.9Very high92.9Very high20 Ų2028.3 Ų28.39%0.09313%0.129CC..Hα-helixtrans-64.1-47.3174.8-175.242.2000112.3W329 L335 Y339 S374 L375 L376 L380 S381 I382W329-H378 HydrophobicContact CH2-CB 3.61Å; W329-H378 AromaticContact CH2-CG 3.85Å; W329-H378 AromaticContact CH2-ND1 3.47Å; W329-H378 WeakPolarHBondContact CH2-ND1 3.45Å; W329-H378 HydrophobicContact CZ2-CB 4.08Å; W329-H378 HydrophobicContact CZ3-CB 4.5Å; W329-H378 AromaticContact CZ3-ND1 3.83Å; L335-H378 HydrophobicContact CD1-CB 3.6Å; Y339-H378 AromaticContact CD1-CD2 3.91Å; Y339-H378 AromaticContact CD1-NE2 3.31Å; Y339-H378 VanDerWaalsContact CD1-NE2 3.31Å; Y339-H378 WeakPolarHBondContact CD1-NE2 3.29Å; Y339-H378 AromaticContact CD2-CD2 3.88Å; Y339-H378 AromaticContact CE1-CD2 3.83Å; Y339-H378 AromaticContact CE1-NE2 3.47Å; Y339-H378 WeakPolarHBondContact CE1-NE2 3.48Å; Y339-H378 AromaticContact CE2-CD2 3.8Å; Y339-H378 AromaticContact CG-CD2 3.93Å; Y339-H378 AromaticContact CG-NE2 3.63Å; Y339-H378 AromaticContact CZ-CD2 3.76Å; Y339-H378 AromaticContact CZ-NE2 3.92Å; S374-H378 PolarHBondContact O-N 2.95Å; S374-H378 VanDerWaalsContact O-N 3.1Å; L375-H378 PolarHBondContact O-N 2.93Å; L376-H378 VanDerWaalsContact C-N 3.26Å; L376-H378 PolarHBondContact O-N 2.95Å; H378-L380 VanDerWaalsContact C-N 3.29Å; H378-L380 PolarHBondContact O-N 2.74Å; H378-S381 WeakPolarHBondContact O-CB 3.18Å; H378-S381 PolarHBondContact O-N 3.02Å; H378-S381 PolarHBondContact O-OG 3.48Å; H378-I382 WeakPolarHBondContact O-CG1 3.48Å; H378-I382 PolarHBondContact O-N 3Å
379V96.5Very high93.6Very high24 Ų2430 Ų3015%0.14514%0.135CC..Hα-helixtrans-65-34.1176.91790000112L375 L376 I382 N383 I429 V433L375-V379 PolarHBondContact O-N 2.89Å; L376-V379 PolarHBondContact O-N 3.43Å; L376-V379 VanDerWaalsContact O-N 3.12Å; V379-I382 PolarHBondContact O-N 3.48Å; V379-N383 PolarHBondContact O-N 3.47Å; V379-N383 PolarHBondContact O-ND2 2.93Å; V379-I429 HydrophobicContact CB-CG2 3.98Å; V379-I429 HydrophobicContact CG1-CG2 3.62Å; V379-I429 HydrophobicContact CG2-CD1 4.18Å; V379-I429 HydrophobicContact CG2-CG2 4.09Å; V379-V433 HydrophobicContact CG1-CG2 4.18Å
380L96.9Very high94Very high8 Ų829.7 Ų29.74%0.04213%0.133CC..Hα-helixtrans-63.1-41.8170.1-64.6177.5000111.6W316 L325 L376 R377 H378 I382 N383 E384 V432 Y437W316-L380 HydrophobicContact CH2-CD1 3.74Å; W316-L380 HydrophobicContact CH2-CD2 3.69Å; W316-L380 HydrophobicContact CH2-CG 4.38Å; W316-L380 HydrophobicContact CZ2-CD1 4.04Å; W316-L380 HydrophobicContact CZ2-CD2 4.44Å; L325-L380 HydrophobicContact CD2-CB 3.54Å; L376-L380 HydrophobicContact CD1-CD1 4.5Å; L376-L380 HydrophobicContact CD1-CG 4.31Å; L376-L380 HydrophobicContact CG-CD1 4.2Å; L376-L380 HydrophobicContact CG-CG 4.43Å; L376-L380 VanDerWaalsContact O-CG 3.29Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 3.45Å; R377-L380 PolarHBondContact O-N 3.01Å; H378-L380 VanDerWaalsContact C-N 3.29Å; H378-L380 PolarHBondContact O-N 2.74Å; L380-I382 VanDerWaalsContact C-N 3.31Å; L380-I382 PolarHBondContact O-N 3.3Å; L380-N383 PolarHBondContact O-N 3.47Å; L380-E384 PolarHBondContact O-N 3.31Å; L380-V432 HydrophobicContact CD2-CG1 4.03Å; L380-Y437 HydrophobicContact CD2-CE2 3.56Å
381S96.9Very high94.4Very high12 Ų1233 Ų338%0.08415%0.148CC..Hα-helixtrans-63.5-37.4176.477.40000112W329 R377 H378 E385W329-S381 VanDerWaalsContact CZ3-OG 3.23Å; W329-S381 WeakPolarHBondContact CZ3-OG 3.25Å; R377-S381 PolarHBondContact O-N 3.03Å; H378-S381 WeakPolarHBondContact O-CB 3.18Å; H378-S381 PolarHBondContact O-N 3.02Å; H378-S381 PolarHBondContact O-OG 3.48Å; S381-E385 VanDerWaalsContact O-CB 3.24Å; S381-E385 WeakPolarHBondContact O-CB 3.34Å; S381-E385 PolarHBondContact O-N 2.97Å
382I97.2Very high94.9Very high12 Ų1236.6 Ų36.66%0.06216%0.164CC..Hα-helixtrans-62.7-46.3173.1-67.5156.8000110Y339 W343 Y354 H378 V379 L380 E385 G386Y339-I382 HydrophobicContact CE1-CD1 4.14Å; W343-I382 HydrophobicContact CZ2-CG2 4.03Å; W343-I382 WeakPolarHBondContact CZ2-O 3.33Å; Y354-I382 HydrophobicContact CD2-CG2 3.89Å; Y354-I382 HydrophobicContact CE1-CG2 4.28Å; Y354-I382 HydrophobicContact CE2-CD1 4.35Å; Y354-I382 HydrophobicContact CE2-CG1 4.17Å; Y354-I382 HydrophobicContact CE2-CG2 3.6Å; Y354-I382 HydrophobicContact CG-CG2 4.36Å; Y354-I382 WeakPolarHBondContact OH-CD1 3.34Å; H378-I382 WeakPolarHBondContact O-CG1 3.48Å; H378-I382 PolarHBondContact O-N 3Å; V379-I382 PolarHBondContact O-N 3.48Å; L380-I382 VanDerWaalsContact C-N 3.31Å; L380-I382 PolarHBondContact O-N 3.3Å; I382-E385 PolarHBondContact O-N 3.37Å; I382-G386 PolarHBondContact O-N 2.87Å
383N97.4Very high95.5Very high3 Ų336.1 Ų36.12%0.01616%0.162CC..Hα-helixtrans-62.8-46.9179.3-81-89.4000112.4V379 L380 E385 G386 L387 Y437V379-N383 PolarHBondContact O-N 3.47Å; V379-N383 PolarHBondContact O-ND2 2.93Å; L380-N383 PolarHBondContact O-N 3.47Å; N383-E385 PolarHBondContact O-N 3.39Å; N383-G386 WeakPolarHBondContact O-CA 3.36Å; N383-G386 PolarHBondContact O-N 2.92Å; N383-L387 WeakPolarHBondContact O-CG 3.33Å; N383-L387 PolarHBondContact O-N 2.96Å; N383-Y437 HydrophobicContact CB-CD1 3.66Å; N383-Y437 HydrophobicContact CB-CE1 3.46Å; N383-Y437 VanDerWaalsContact CB-CE1 3.46Å; N383-Y437 HydrophobicContact CB-CE2 4.39Å; N383-Y437 HydrophobicContact CB-CG 4.2Å
384E97.1Very high95.9Very high22 Ų2233.3 Ų33.310%0.10315%0.15CC..Hα-helixtrans-62-41.2176.3-68.6-66.3114.200112.2R317 V322 L326 L380 G386 L387 R388 Y437R317-E384 IonicContact CZ-OE1 3.53Å; R317-E384 IonicContact CZ-OE2 2.74Å; R317-E384 IonicContact NH1-OE1 3.42Å; R317-E384 PolarHBondContact NH1-OE1 3.34Å; R317-E384 IonicContact NH1-OE2 3.8Å; R317-E384 VanDerWaalsContact NH2-CD 3.28Å; R317-E384 IonicContact NH2-OE1 2.73Å; R317-E384 PolarHBondContact NH2-OE1 2.76Å; R317-E384 IonicContact NH2-OE2 3.84Å; R317-E384 PolarHBondContact NH2-OE2 3.18Å; V322-E384 HydrophobicContact CG1-CG 3.96Å; L326-E384 HydrophobicContact CD1-CB 4Å; L326-E384 HydrophobicContact CD2-CB 4.05Å; L326-E384 HydrophobicContact CG-CB 3.91Å; L380-E384 PolarHBondContact O-N 3.31Å; E384-G386 VanDerWaalsContact C-N 3.31Å; E384-G386 PolarHBondContact O-N 3.35Å; E384-L387 WeakPolarHBondContact O-CB 3.46Å; E384-L387 PolarHBondContact O-N 2.9Å; E384-L387 VanDerWaalsContact O-N 3.14Å; E384-R388 PolarHBondContact O-N 3.05Å; E384-Y437 HydrophobicContact CG-CE1 4.5Å; E384-Y437 WeakPolarHBondContact OE1-CE1 3.01Å; E384-Y437 PolarHBondContact OE1-OH 3.46Å
385E97.3Very high96Very high24 Ų2437.9 Ų37.911%0.11217%0.168CC..Hα-helixtrans-60.8-40.8172.9177.861.7-16400111.6L326 S381 I382 N383 L387 R388 R389L326-E385 HydrophobicContact CD2-CB 4.35Å; S381-E385 VanDerWaalsContact O-CB 3.24Å; S381-E385 WeakPolarHBondContact O-CB 3.34Å; S381-E385 PolarHBondContact O-N 2.97Å; I382-E385 PolarHBondContact O-N 3.37Å; N383-E385 PolarHBondContact O-N 3.39Å; E385-L387 VanDerWaalsContact C-N 3.29Å; E385-L387 PolarHBondContact O-N 3.04Å; E385-R388 WeakPolarHBondContact O-CB 3.29Å; E385-R388 PolarHBondContact O-N 2.79Å; E385-R388 IonicContact OE1-CZ 2.83Å; E385-R388 IonicContact OE1-NE 3.43Å; E385-R388 IonicContact OE1-NH2 3.41Å; E385-R388 PolarHBondContact OE1-NH2 3.01Å; E385-R388 IonicContact OE2-CZ 3.96Å; E385-R388 IonicContact OE2-NE 3.23Å; E385-R388 PolarHBondContact OE2-NE 2.86Å; E385-R388 IonicContact OE2-NH1 2.95Å; E385-R388 PolarHBondContact OE2-NH1 2.85Å; E385-R388 IonicContact OE2-NH2 2.62Å; E385-R388 PolarHBondContact OE2-NH2 2.82Å; E385-R389 WeakPolarHBondContact O-CG 3.5Å; E385-R389 PolarHBondContact O-N 2.73Å; E385-R389 IonicContact OE1-CZ 3.77Å; E385-R389 IonicContact OE1-NE 3.8Å; E385-R389 PolarHBondContact OE1-NE 3.42Å; E385-R389 IonicContact OE1-NH2 3.81Å
386G97.4Very high96.1Very high0 Ų042.5 Ų42.50%020%0.197CC..Hα-helixtrans-60.2-38.9173.700000112.2W343 I382 N383 E384 C390W343-G386 VanDerWaalsContact CH2-CA 3.42Å; I382-G386 PolarHBondContact O-N 2.87Å; N383-G386 WeakPolarHBondContact O-CA 3.36Å; N383-G386 PolarHBondContact O-N 2.92Å; E384-G386 VanDerWaalsContact C-N 3.31Å; E384-G386 PolarHBondContact O-N 3.35Å; G386-C390 WeakPolarHBondContact O-CB 3.05Å; G386-C390 PolarHBondContact O-N 3.1Å; G386-C390 PolarHBondContact O-SG 3.47Å
387L96.5Very high96.1Very high25 Ų2546 Ų4613%0.13121%0.212CC..Hα-helixtrans-65.6-41.8174.2-55.3-162.9000111.9N383 E384 E385 C390 E391 T440N383-L387 WeakPolarHBondContact O-CG 3.33Å; N383-L387 PolarHBondContact O-N 2.96Å; E384-L387 WeakPolarHBondContact O-CB 3.46Å; E384-L387 PolarHBondContact O-N 2.9Å; E384-L387 VanDerWaalsContact O-N 3.14Å; E385-L387 VanDerWaalsContact C-N 3.29Å; E385-L387 PolarHBondContact O-N 3.04Å; L387-C390 WeakPolarHBondContact O-CB 3.44Å; L387-C390 PolarHBondContact O-N 2.84Å; L387-E391 PolarHBondContact O-N 2.83Å; L387-E391 VanDerWaalsContact O-N 3.15Å; L387-T440 HydrophobicContact CD2-CG2 3.67Å
388R96.5Very high95.9Very high116 Ų11641.7 Ų41.744%0.43821%0.208SC..Hα-helixtrans-61.6-48.9176.8-168.7-178.476.1-162.1-1.9111.3E384 E385 C390 E391 E392E384-R388 PolarHBondContact O-N 3.05Å; E385-R388 WeakPolarHBondContact O-CB 3.29Å; E385-R388 PolarHBondContact O-N 2.79Å; E385-R388 IonicContact OE1-CZ 2.83Å; E385-R388 IonicContact OE1-NE 3.43Å; E385-R388 IonicContact OE1-NH2 3.41Å; E385-R388 PolarHBondContact OE1-NH2 3.01Å; E385-R388 IonicContact OE2-CZ 3.96Å; E385-R388 IonicContact OE2-NE 3.23Å; E385-R388 PolarHBondContact OE2-NE 2.86Å; E385-R388 IonicContact OE2-NH1 2.95Å; E385-R388 PolarHBondContact OE2-NH1 2.85Å; E385-R388 IonicContact OE2-NH2 2.62Å; E385-R388 PolarHBondContact OE2-NH2 2.82Å; R388-C390 VanDerWaalsContact C-N 3.31Å; R388-C390 PolarHBondContact O-N 3.05Å; R388-E391 WeakPolarHBondContact O-CB 3.44Å; R388-E391 PolarHBondContact O-N 3.28Å; R388-E391 VanDerWaalsContact O-N 3.08Å; R388-E392 WeakPolarHBondContact CG-OE1 3.24Å; R388-E392 IonicContact NE-OE1 2.74Å; R388-E392 PolarHBondContact NE-OE1 2.8Å; R388-E392 WeakPolarHBondContact O-CG 3.24Å; R388-E392 PolarHBondContact O-N 3.45Å
389R97.9Very high95.8Very high75 Ų7546.1 Ų46.128%0.28322%0.224SC..Hα-helixtrans-63.6-33.8177.9-70.2178.2174.5-1220.9113W343 P352 E385 E392 N393W343-R389 VanDerWaalsContact CB-CZ 3.47Å; P352-R389 HydrophobicContact CB-CB 3.87Å; P352-R389 HydrophobicContact CG-CB 3.5Å; P352-R389 VanDerWaalsContact CG-CB 3.5Å; E385-R389 WeakPolarHBondContact O-CG 3.5Å; E385-R389 PolarHBondContact O-N 2.73Å; E385-R389 IonicContact OE1-CZ 3.77Å; E385-R389 IonicContact OE1-NE 3.8Å; E385-R389 PolarHBondContact OE1-NE 3.42Å; E385-R389 IonicContact OE1-NH2 3.81Å; R389-E392 PolarHBondContact O-N 2.85Å; R389-N393 VanDerWaalsContact O-CB 3.3Å; R389-N393 WeakPolarHBondContact O-CB 3.07Å; R389-N393 PolarHBondContact O-N 3.31Å; R389-N393 PolarHBondContact O-OD1 2.98Å
390C97Very high95.5Very high2 Ų247.1 Ų47.11%0.01423%0.23CC..Hα-helixtrans-61.7-43171.4-75.20000111.8G386 L387 R388 T394 I401 C403G386-C390 WeakPolarHBondContact O-CB 3.05Å; G386-C390 PolarHBondContact O-N 3.1Å; G386-C390 PolarHBondContact O-SG 3.47Å; L387-C390 WeakPolarHBondContact O-CB 3.44Å; L387-C390 PolarHBondContact O-N 2.84Å; R388-C390 VanDerWaalsContact C-N 3.31Å; R388-C390 PolarHBondContact O-N 3.05Å; C390-T394 WeakPolarHBondContact O-CB 3.5Å; C390-T394 PolarHBondContact O-N 2.89Å; C390-T394 PolarHBondContact O-OG1 2.74Å; C390-I401 CarbonylContact C-O 3.29Å; C390-I401 VanDerWaalsContact CB-O 3.29Å; C390-I401 WeakPolarHBondContact CB-O 3.48Å; C390-I401 VanDerWaalsContact O-O 3.11Å; C390-C403 PolarHBondContact SG-O 3.38Å
391E94.8Very high95.4Very high72 Ų7247.2 Ų47.234%0.33623%0.231SC..Hα-helixtrans-68.4-39.5176.5-173.3-177.415300112.4K288 L387 R388 T394 K395K288-E391 IonicContact NZ-OE1 2.73Å; K288-E391 PolarHBondContact NZ-OE1 3.48Å; K288-E391 IonicContact NZ-OE2 3.02Å; K288-E391 PolarHBondContact NZ-OE2 3.38Å; L387-E391 PolarHBondContact O-N 2.83Å; L387-E391 VanDerWaalsContact O-N 3.15Å; R388-E391 WeakPolarHBondContact O-CB 3.44Å; R388-E391 PolarHBondContact O-N 3.28Å; R388-E391 VanDerWaalsContact O-N 3.08Å; E391-T394 PolarHBondContact O-N 3.18Å; E391-K395 WeakPolarHBondContact O-CG 3.37Å; E391-K395 PolarHBondContact O-N 3.21Å; E391-K395 WeakPolarHBondContact OE1-CE 3.23Å; E391-K395 IonicContact OE1-NZ 2.72Å; E391-K395 PolarHBondContact OE1-NZ 2.78Å
392E96.3Very high95.2Very high80 Ų8048.1 Ų48.137%0.37424%0.237SC..Hα-helixtrans-61.9-50.7173.9-70.8164178.400111.1R388 R389 T394 K395 V396R388-E392 WeakPolarHBondContact CG-OE1 3.24Å; R388-E392 IonicContact NE-OE1 2.74Å; R388-E392 PolarHBondContact NE-OE1 2.8Å; R388-E392 WeakPolarHBondContact O-CG 3.24Å; R388-E392 PolarHBondContact O-N 3.45Å; R389-E392 PolarHBondContact O-N 2.85Å; E392-T394 VanDerWaalsContact C-N 3.31Å; E392-T394 PolarHBondContact O-N 3.12Å; E392-K395 WeakPolarHBondContact O-CB 3.35Å; E392-K395 PolarHBondContact O-N 3.36Å; E392-V396 WeakPolarHBondContact O-CG2 3.44Å; E392-V396 PolarHBondContact O-N 3.2Å
393N96.7Very high95.2Very high28 Ų2848.3 Ų48.315%0.1524%0.24CC..Hα-helixtrans-62.9-36.8177.5-74.210000111.7G350 R389 K395 V396 F397 I401G350-N393 PolarHBondContact O-ND2 3.15Å; R389-N393 VanDerWaalsContact O-CB 3.3Å; R389-N393 WeakPolarHBondContact O-CB 3.07Å; R389-N393 PolarHBondContact O-N 3.31Å; R389-N393 PolarHBondContact O-OD1 2.98Å; N393-K395 VanDerWaalsContact C-N 3.26Å; N393-K395 PolarHBondContact O-N 3.14Å; N393-V396 PolarHBondContact O-N 3.44Å; N393-F397 HydrophobicContact CB-CD2 3.92Å; N393-F397 HydrophobicContact CB-CE2 4.1Å; N393-F397 WeakPolarHBondContact O-CB 3.12Å; N393-F397 VanDerWaalsContact O-CD2 3.3Å; N393-F397 WeakPolarHBondContact O-CD2 3.3Å; N393-F397 PolarHBondContact O-N 2.89Å; N393-I401 HydrophobicContact CB-CD1 3.86Å; N393-I401 HydrophobicContact CB-CG2 4.27Å
394T94.9Very high95.2Very high11 Ų1149.2 Ų49.27%0.06724%0.243CC..Hα-helixtrans-57.5-39.2173-63.90000112Y259 C390 E391 E392 G398 R399 I401Y259-T394 HydrophobicContact CD1-CG2 3.76Å; Y259-T394 HydrophobicContact CE1-CG2 4.17Å; C390-T394 WeakPolarHBondContact O-CB 3.5Å; C390-T394 PolarHBondContact O-N 2.89Å; C390-T394 PolarHBondContact O-OG1 2.74Å; E391-T394 PolarHBondContact O-N 3.18Å; E392-T394 VanDerWaalsContact C-N 3.31Å; E392-T394 PolarHBondContact O-N 3.12Å; T394-G398 PolarHBondContact O-N 3.02Å; T394-G398 VanDerWaalsContact O-N 3.16Å; T394-R399 WeakPolarHBondContact CA-O 3.15Å; T394-I401 PolarHBondContact OG1-N 2.98Å; T394-I401 PolarHBondContact OG1-O 3.11Å; T394-I401 VanDerWaalsContact OG1-O 3.07Å
395K93.3Very high95.2Very high110 Ų11048.2 Ų48.248%0.47824%0.238SC..Hα-helixtrans-70.5-41.1176.5-66.5160.5-172.81640111.9E391 E392 N393E391-K395 WeakPolarHBondContact O-CG 3.37Å; E391-K395 PolarHBondContact O-N 3.21Å; E391-K395 WeakPolarHBondContact OE1-CE 3.23Å; E391-K395 IonicContact OE1-NZ 2.72Å; E391-K395 PolarHBondContact OE1-NZ 2.78Å; E392-K395 WeakPolarHBondContact O-CB 3.35Å; E392-K395 PolarHBondContact O-N 3.36Å; N393-K395 VanDerWaalsContact C-N 3.26Å; N393-K395 PolarHBondContact O-N 3.14Å
396V94.8Very high95.3Very high112 Ų11247.5 Ų47.568%0.67924%0.236SC*.Hα-helixtrans-70.8-50.6-178.6172.60000112.4E392 N393 G398E392-V396 WeakPolarHBondContact O-CG2 3.44Å; E392-V396 PolarHBondContact O-N 3.2Å; N393-V396 PolarHBondContact O-N 3.44Å; V396-G398 VanDerWaalsContact C-N 3.34Å
397F93Very high95.3Very high81 Ų8147.5 Ų47.536%0.35524%0.236SC..Hα-helixtrans-83.1-8.4-177.3-67.6-75.9000113.7H346 N393 R399 I401H346-F397 AromaticContact CD2-CZ 3.83Å; H346-F397 AromaticContact CE1-CZ 3.99Å; H346-F397 AromaticContact NE2-CZ 3.72Å; N393-F397 HydrophobicContact CB-CD2 3.92Å; N393-F397 HydrophobicContact CB-CE2 4.1Å; N393-F397 WeakPolarHBondContact O-CB 3.12Å; N393-F397 VanDerWaalsContact O-CD2 3.3Å; N393-F397 WeakPolarHBondContact O-CD2 3.3Å; N393-F397 PolarHBondContact O-N 2.89Å; F397-R399 HydrophobicContact CB-CG 4.13Å; F397-R399 PolarHBondContact O-N 3.28Å; F397-R399 VanDerWaalsContact O-N 3.16Å; F397-I401 HydrophobicContact CB-CD1 3.91Å; F397-I401 HydrophobicContact CD2-CD1 3.52Å; F397-I401 HydrophobicContact CE2-CD1 4.39Å; F397-I401 HydrophobicContact CG-CD1 4Å
398G90.6Very high95.3Very high39 Ų3947.1 Ų47.140%0.40223%0.234SC..SBendtrans6614.7177.900000114.8T394 V396T394-G398 PolarHBondContact O-N 3.02Å; T394-G398 VanDerWaalsContact O-N 3.16Å; V396-G398 VanDerWaalsContact C-N 3.34Å
399R91.9Very high95.2Very high113 Ų11341.6 Ų41.643%0.42621%0.213SC..SBendtrans-135153.2-179.373.1177.6-178.5-170.7-5.1109.9R258 D349 T394 F397 I401R258-R399 CarbonylContact O-C 3.56Å; D349-R399 PolarHBondContact O-NH2 3.45Å; T394-R399 WeakPolarHBondContact CA-O 3.15Å; F397-R399 HydrophobicContact CB-CG 4.13Å; F397-R399 PolarHBondContact O-N 3.28Å; F397-R399 VanDerWaalsContact O-N 3.16Å; R399-I401 HydrophobicContact CG-CD1 4.44Å; R399-I401 HydrophobicContact CG-CG1 4.42Å; R399-I401 PolarHBondContact O-N 3.03Å
400P91.8Very high94.9Very high44 Ų4438.1 Ų38.129%0.28620%0.201SC..  trans-69.1117.8-174.626.7-33.8000111.5K257 R258K257-P400 WeakPolarHBondContact O-CD 3.17Å; R258-P400 WeakPolarHBondContact O-CD 3.2Å
401I95.2Very high94.5Very high10 Ų1042.2 Ų42.25%0.05122%0.219CC..  trans-118.499.6175-67.3163.6000106.3C390 N393 T394 F397 R399C390-I401 CarbonylContact C-O 3.29Å; C390-I401 VanDerWaalsContact CB-O 3.29Å; C390-I401 WeakPolarHBondContact CB-O 3.48Å; C390-I401 VanDerWaalsContact O-O 3.11Å; N393-I401 HydrophobicContact CB-CD1 3.86Å; N393-I401 HydrophobicContact CB-CG2 4.27Å; T394-I401 PolarHBondContact OG1-N 2.98Å; T394-I401 PolarHBondContact OG1-O 3.11Å; T394-I401 VanDerWaalsContact OG1-O 3.07Å; F397-I401 HydrophobicContact CB-CD1 3.91Å; F397-I401 HydrophobicContact CD2-CD1 3.52Å; F397-I401 HydrophobicContact CE2-CD1 4.39Å; F397-I401 HydrophobicContact CG-CD1 4Å; R399-I401 HydrophobicContact CG-CD1 4.44Å; R399-I401 HydrophobicContact CG-CG1 4.42Å; R399-I401 PolarHBondContact O-N 3.03Å
402S92.8Very high94Very high31 Ų3140.8 Ų40.822%0.21722%0.224CC..  trans-106.70.3-173.467.30000114.1R294R294-S402 PolarHBondContact NE-O 3.24Å; R294-S402 PolarHBondContact NH2-O 2.72Å
403C95.9Very high93.3Very high17 Ų1737.4 Ų37.412%0.11521%0.209CC..  trans-145.6157.2-173.958.80000112.4R351 C390 T440R351-C403 WeakPolarHBondContact CB-O 3.37Å; R351-C403 WeakPolarHBondContact CG-O 3.17Å; C390-C403 PolarHBondContact SG-O 3.38Å; C403-T440 CarbonylContact C-O 3.45Å; C403-T440 WeakPolarHBondContact CA-O 3.32Å; C403-T440 WeakPolarHBondContact CB-O 3.4Å
404W97.4Very high92Very high22 Ų2237.9 Ų37.98%0.08321%0.211CC..EExtended strand (participates in β ladder)trans-112.7156.7-179.855.6-76.2000111.2W343 P352 Y354 C406 T440 G442W343-W404 HydrophobicContact CH2-CB 4.01Å; W343-W404 AromaticContact CH2-CD2 3.85Å; W343-W404 HydrophobicContact CH2-CD2 3.85Å; W343-W404 AromaticContact CH2-CE3 3.72Å; W343-W404 HydrophobicContact CH2-CE3 3.72Å; W343-W404 AromaticContact CH2-CG 3.99Å; W343-W404 HydrophobicContact CH2-CG 3.99Å; W343-W404 HydrophobicContact CH2-CZ3 4.44Å; W343-W404 HydrophobicContact CZ3-CB 4.14Å; W343-W404 HydrophobicContact CZ3-CE3 4.2Å; P352-W404 HydrophobicContact CB-CB 4.29Å; P352-W404 WeakPolarHBondContact O-CB 3.42Å; Y354-W404 HydrophobicContact CD1-CZ3 4.18Å; Y354-W404 HydrophobicContact CG-CZ3 4.04Å; W404-C406 HydrophobicContact CE3-CB 3.97Å; W404-C406 HydrophobicContact CH2-CB 4.29Å; W404-C406 HydrophobicContact CZ3-CB 3.53Å; W404-T440 PolarHBondContact N-O 2.72Å; W404-T440 PolarHBondContact NE1-O 3.14Å; W404-G442 PolarHBondContact O-N 3.21Å
405T98.1Very high90.6Very high0 Ų038.3 Ų38.30%021%0.213CC..EExtended strand (participates in β ladder)trans-104.9130.2176.4-72.70000108.4D347 P352 L353 Y354 R443 L445D347-T405 WeakPolarHBondContact OD2-CB 3.2Å; D347-T405 PolarHBondContact OD2-OG1 3.06Å; P352-T405 PolarHBondContact O-N 2.92Å; L353-T405 CarbonylContact C-O 3.33Å; L353-T405 WeakPolarHBondContact CA-O 3.5Å; L353-T405 HydrophobicContact CD1-CG2 3.94Å; Y354-T405 PolarHBondContact N-O 2.85Å; T405-R443 WeakPolarHBondContact CA-O 3.45Å; T405-R443 HydrophobicContact CG2-CB 4.14Å; T405-L445 HydrophobicContact CG2-CD1 4.02Å
406C97.9Very high89.6Confident10 Ų1036.6 Ų36.67%0.06820%0.203CC..EExtended strand (participates in β ladder)trans-111.6131179.6-175.30000109.4Y354 W404 L441 R443 L444 L445Y354-C406 CarbonylContact O-C 3.48Å; Y354-C406 WeakPolarHBondContact O-CA 3.16Å; W404-C406 HydrophobicContact CE3-CB 3.97Å; W404-C406 HydrophobicContact CH2-CB 4.29Å; W404-C406 HydrophobicContact CZ3-CB 3.53Å; C406-L441 HydrophobicContact CB-CD1 3.89Å; C406-R443 PolarHBondContact N-O 2.82Å; C406-L444 HydrophobicContact CB-CD1 3.52Å; C406-L444 CarbonylContact O-C 3.52Å; C406-L444 VanDerWaalsContact O-CA 3.31Å; C406-L444 WeakPolarHBondContact O-CA 3.23Å; C406-L444 VanDerWaalsContact SG-CD1 3.59Å; C406-L445 PolarHBondContact O-N 2.93Å
407L97.8Very high88.9Confident0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-113.9116.8176-175.7166.4000107.8L353 Y354 I355 L356 D409 L445 L447 L486 I490 L499L353-L407 HydrophobicContact CD1-CB 4.15Å; Y354-L407 PolarHBondContact O-N 3.27Å; I355-L407 CarbonylContact C-O 3.48Å; I355-L407 WeakPolarHBondContact CA-O 3.32Å; I355-L407 HydrophobicContact CG1-CB 4.28Å; I355-L407 HydrophobicContact CG2-CD2 4.45Å; L356-L407 PolarHBondContact N-O 3.26Å; L407-D409 HydrophobicContact CD2-CB 4.44Å; L407-L445 CarbonylContact C-O 3.47Å; L407-L445 WeakPolarHBondContact CA-O 3.31Å; L407-L445 HydrophobicContact CB-CB 4.32Å; L407-L445 HydrophobicContact CG-CB 4.25Å; L407-L447 HydrophobicContact CD1-CD1 4.04Å; L407-L447 HydrophobicContact CD2-CD1 3.73Å; L407-L447 HydrophobicContact CD2-CG 4.18Å; L407-L447 HydrophobicContact CG-CD1 3.9Å; L407-L447 HydrophobicContact CG-CG 4.27Å; L407-L486 HydrophobicContact CD1-CD2 3.98Å; L407-I490 HydrophobicContact CD1-CD1 4.05Å; L407-L499 HydrophobicContact CD1-CD1 3.95Å; L407-L499 HydrophobicContact CD2-CD1 4.1Å
408V96.8Very high87.9Confident16 Ų1629 Ų2910%0.09716%0.162CC..EExtended strand (participates in β ladder)trans-110.9111.5179.7-1770000108.7L356 L358 L410 L444 L445 I446 L447L356-V408 HydrophobicContact CB-CG2 4.45Å; L356-V408 HydrophobicContact CD2-CG2 4.46Å; L356-V408 CarbonylContact O-C 3.35Å; L356-V408 WeakPolarHBondContact O-CA 3.5Å; L358-V408 HydrophobicContact CB-CG1 3.89Å; L358-V408 HydrophobicContact CD2-CG1 4.24Å; V408-L410 HydrophobicContact CG1-CD2 3.69Å; V408-L410 HydrophobicContact CG1-CG 4.46Å; V408-L444 HydrophobicContact CG2-CD1 3.7Å; V408-L445 PolarHBondContact N-O 2.92Å; V408-I446 CarbonylContact O-C 3.59Å; V408-I446 WeakPolarHBondContact O-CA 3.47Å; V408-L447 PolarHBondContact O-N 2.79Å
409D94.9Very high87.1Confident0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-90124.9174.9170.842.4000110.6L356 R357 L358 G359 L407 E411 R448 F498L356-D409 PolarHBondContact O-N 3.11Å; R357-D409 CarbonylContact C-O 3.55Å; R357-D409 HydrophobicContact CG-CB 4.41Å; L358-D409 PolarHBondContact N-O 3.07Å; G359-D409 PolarHBondContact N-O 3.45Å; L407-D409 HydrophobicContact CD2-CB 4.44Å; D409-E411 PolarHBondContact OD1-N 3.46Å; D409-R448 IonicContact OD1-CZ 3.59Å; D409-R448 VanDerWaalsContact OD1-CZ 3.3Å; D409-R448 IonicContact OD1-NE 2.7Å; D409-R448 PolarHBondContact OD1-NE 2.92Å; D409-R448 IonicContact OD1-NH2 3.8Å; D409-R448 PolarHBondContact OD1-NH2 3Å; D409-R448 IonicContact OD2-CZ 3.66Å; D409-R448 IonicContact OD2-NH2 2.78Å; D409-R448 PolarHBondContact OD2-NH2 3.32Å; D409-F498 HydrophobicContact CB-CE2 4.29Å
410L91.4Very high86Confident3 Ų325.6 Ų25.62%0.01614%0.137CC..  trans-106.97.7-176.8-58-173.8000113.9L358 V408 G412 L413 I446 L447 A449 P450 F453L358-L410 HydrophobicContact CB-CD2 4.06Å; L358-L410 HydrophobicContact CD2-CD2 3.81Å; L358-L410 HydrophobicContact CG-CD2 4.3Å; V408-L410 HydrophobicContact CG1-CD2 3.69Å; V408-L410 HydrophobicContact CG1-CG 4.46Å; L410-G412 PolarHBondContact O-N 2.92Å; L410-L413 HydrophobicContact CB-CB 4.2Å; L410-L413 HydrophobicContact CB-CD2 4.47Å; L410-L413 HydrophobicContact CD1-CD2 4.28Å; L410-L413 HydrophobicContact CD2-CD2 4.3Å; L410-L413 WeakPolarHBondContact O-CB 3.23Å; L410-L413 PolarHBondContact O-N 3.07Å; L410-I446 HydrophobicContact CD1-CG2 3.34Å; L410-I446 HydrophobicContact CG-CG2 3.85Å; L410-L447 WeakPolarHBondContact CB-O 3.44Å; L410-L447 PolarHBondContact N-O 2.82Å; L410-A449 HydrophobicContact CD1-CB 4.07Å; L410-P450 WeakPolarHBondContact O-CD 3.19Å; L410-P450 WeakPolarHBondContact O-CG 3.31Å; L410-F453 HydrophobicContact CD1-CB 4.27Å; L410-F453 HydrophobicContact CD1-CD2 3.29Å; L410-F453 HydrophobicContact CD1-CE2 3.82Å; L410-F453 HydrophobicContact CD1-CG 3.89Å
411E88.9Confident85.2Confident87 Ų8725.2 Ų25.241%0.40714%0.135SC..THydrogen-bonded Turntrans-54.7134.1168.4-179.1169.1-108.200110.4G359 H360 D409 L413 R448G359-E411 CarbonylContact C-O 3.59Å; G359-E411 WeakPolarHBondContact CA-O 3.39Å; H360-E411 PolarHBondContact CD2-O 2.87Å; D409-E411 PolarHBondContact OD1-N 3.46Å; E411-L413 VanDerWaalsContact C-N 3.27Å; E411-L413 PolarHBondContact O-N 3.26Å; E411-R448 HydrophobicContact CB-CB 4.4Å; E411-R448 VanDerWaalsContact CB-CZ 3.49Å; E411-R448 VanDerWaalsContact CB-NH2 3.3Å; E411-R448 IonicContact OE1-CZ 3.69Å; E411-R448 IonicContact OE1-NH1 3.18Å; E411-R448 PolarHBondContact OE1-NH1 3.37Å; E411-R448 VanDerWaalsContact OE1-NH1 3.1Å; E411-R448 IonicContact OE2-CZ 2.77Å; E411-R448 IonicContact OE2-NH1 3.38Å; E411-R448 PolarHBondContact OE2-NH1 3.26Å; E411-R448 IonicContact OE2-NH2 3.73Å; E411-R448 PolarHBondContact OE2-NH2 3.29Å
412G84.1Confident84.6Confident43 Ų4325 Ų2544%0.44314%0.135SC..THydrogen-bonded Turntrans81.1-9.1-17400000115.5G359 L410 N414 H417G359-G412 CarbonylContact O-C 3.57Å; L410-G412 PolarHBondContact O-N 2.92Å; G412-N414 PolarHBondContact O-N 3.41Å; G412-N414 PolarHBondContact O-ND2 3.35Å; G412-H417 PolarHBondContact O-CE1 3.21Å
413L80.7Confident83.8Confident9 Ų923.6 Ų23.65%0.04713%0.125CC..  trans-61.4114.3176.3-175.487.6000110.1L358 L410 E411 H417 P450 V452 F453 L456L358-L413 HydrophobicContact CD2-CD1 4.42Å; L358-L413 HydrophobicContact CG-CD1 4.33Å; L410-L413 HydrophobicContact CB-CB 4.2Å; L410-L413 HydrophobicContact CB-CD2 4.47Å; L410-L413 HydrophobicContact CD1-CD2 4.28Å; L410-L413 HydrophobicContact CD2-CD2 4.3Å; L410-L413 WeakPolarHBondContact O-CB 3.23Å; L410-L413 PolarHBondContact O-N 3.07Å; E411-L413 VanDerWaalsContact C-N 3.27Å; E411-L413 PolarHBondContact O-N 3.26Å; L413-H417 HydrophobicContact CD1-CB 3.78Å; L413-P450 HydrophobicContact CB-CG 3.68Å; L413-P450 HydrophobicContact CD2-CG 4.24Å; L413-P450 HydrophobicContact CG-CG 4.44Å; L413-P450 VanDerWaalsContact O-CG 3.23Å; L413-P450 WeakPolarHBondContact O-CG 3.36Å; L413-V452 HydrophobicContact CB-CG1 4.49Å; L413-V452 HydrophobicContact CD2-CG1 3.87Å; L413-V452 HydrophobicContact CG-CG1 3.95Å; L413-V452 WeakPolarHBondContact O-CG1 3.35Å; L413-F453 HydrophobicContact CD2-CB 4.38Å; L413-L456 HydrophobicContact CD1-CD2 4.15Å; L413-L456 HydrophobicContact CD2-CD2 4Å
414N70.2Confident82.9Confident38 Ų3826.6 Ų26.620%0.20314%0.136CC..  trans-135.1-178.1-179.76976.6000111.1G412 R416 H417G412-N414 PolarHBondContact O-N 3.41Å; G412-N414 PolarHBondContact O-ND2 3.35Å; N414-R416 PolarHBondContact ND2-NE 3.35Å; N414-R416 PolarHBondContact O-N 3.24Å; N414-R416 WeakPolarHBondContact OD1-CB 3.21Å; N414-R416 WeakPolarHBondContact OD1-CG 3.23Å; N414-R416 PolarHBondContact OD1-N 2.95Å; N414-H417 PolarHBondContact N-CE1 3.42Å; N414-H417 PolarHBondContact N-ND1 3.43Å; N414-H417 VanDerWaalsContact N-ND1 3.12Å; N414-H417 PolarHBondContact ND2-CE1 2.85Å; N414-H417 PolarHBondContact O-N 3.37Å; N414-H417 VanDerWaalsContact O-N 3.16Å; N414-H417 PolarHBondContact O-ND1 3.43Å
415M65.3Low82.3Confident20 Ų2025.8 Ų25.810%0.09913%0.134CC..G310 helixtrans-54.5-25.5-175.7-60.7-56.9-67.300115H417 L418 V452 T562 L687 L699M415-H417 PolarHBondContact O-N 3.03Å; M415-L418 HydrophobicContact CE-CD1 3.83Å; M415-L418 WeakPolarHBondContact O-CB 3.44Å; M415-L418 PolarHBondContact O-N 2.86Å; M415-L418 HydrophobicContact SD-CD1 3.96Å; M415-V452 HydrophobicContact SD-CG2 3.6Å; M415-V452 VanDerWaalsContact SD-CG2 3.6Å; M415-T562 HydrophobicContact CE-CG2 3.88Å; M415-L687 HydrophobicContact CE-CD1 3.31Å; M415-L699 HydrophobicContact CG-CD2 3.68Å; M415-L699 HydrophobicContact SD-CD2 3.93Å
416R72.3Confident81.9Confident73 Ų7328.4 Ų28.428%0.27515%0.148SC..G310 helixtrans-56.3-32.7177.679.6-173179.5-175.3-1113.4G359 N414 L418 W419G359-R416 PolarHBondContact O-NH2 3.08Å; N414-R416 PolarHBondContact ND2-NE 3.35Å; N414-R416 PolarHBondContact O-N 3.24Å; N414-R416 WeakPolarHBondContact OD1-CB 3.21Å; N414-R416 WeakPolarHBondContact OD1-CG 3.23Å; N414-R416 PolarHBondContact OD1-N 2.95Å; R416-L418 VanDerWaalsContact C-N 3.26Å; R416-L418 PolarHBondContact O-N 3.35Å; R416-W419 VanDerWaalsContact O-CB 3.23Å; R416-W419 WeakPolarHBondContact O-CB 3.4Å; R416-W419 PolarHBondContact O-N 2.89Å
417H79.3Confident81.1Confident10 Ų1028.4 Ų28.45%0.04615%0.147CC..G310 helixtrans-78.8-12.6-178.6-44.291.1000112.3G359 M361 G412 L413 N414 M415G359-H417 PolarHBondContact O-CE1 2.82Å; G359-H417 PolarHBondContact O-NE2 3.01Å; M361-H417 PolarHBondContact O-NE2 3.25Å; G412-H417 PolarHBondContact O-CE1 3.21Å; L413-H417 HydrophobicContact CD1-CB 3.78Å; N414-H417 PolarHBondContact N-CE1 3.42Å; N414-H417 PolarHBondContact N-ND1 3.43Å; N414-H417 VanDerWaalsContact N-ND1 3.12Å; N414-H417 PolarHBondContact ND2-CE1 2.85Å; N414-H417 PolarHBondContact O-N 3.37Å; N414-H417 VanDerWaalsContact O-N 3.16Å; N414-H417 PolarHBondContact O-ND1 3.43Å; M415-H417 PolarHBondContact O-N 3.03Å
418L71.7Confident80.4Confident23 Ų2332.6 Ų32.612%0.1216%0.163CC..G310 helixtrans-85.75.7171.8-57.1-175.4000112.7M415 R416 R420 V452 V455 L456 L459M415-L418 HydrophobicContact CE-CD1 3.83Å; M415-L418 WeakPolarHBondContact O-CB 3.44Å; M415-L418 PolarHBondContact O-N 2.86Å; M415-L418 HydrophobicContact SD-CD1 3.96Å; R416-L418 VanDerWaalsContact C-N 3.26Å; R416-L418 PolarHBondContact O-N 3.35Å; L418-R420 PolarHBondContact O-N 2.87Å; L418-V452 HydrophobicContact CD1-CG2 3.7Å; L418-V452 HydrophobicContact CG-CG2 4.32Å; L418-V455 HydrophobicContact CD1-CB 4.08Å; L418-V455 HydrophobicContact CD1-CG1 3.69Å; L418-L456 HydrophobicContact CD2-CB 3.92Å; L418-L456 HydrophobicContact CD2-CD1 4.03Å; L418-L459 HydrophobicContact CD2-CD1 4.06Å
419W74.6Confident80.2Confident22 Ų2233 Ų338%0.08316%0.164CC..  trans-53.8122.5174.5177.662.1000111.3K364 V367 R368 R416 P421 G422 V423 Y537K364-W419 HydrophobicContact CB-CD2 4.34Å; K364-W419 HydrophobicContact CB-CE3 3.99Å; K364-W419 HydrophobicContact CB-CZ3 4.22Å; K364-W419 HydrophobicContact CG-CD2 4.22Å; K364-W419 HydrophobicContact CG-CE3 4.13Å; K364-W419 HydrophobicContact CG-CH2 4.15Å; K364-W419 HydrophobicContact CG-CZ2 4.23Å; K364-W419 HydrophobicContact CG-CZ3 4.11Å; V367-W419 HydrophobicContact CB-CH2 4.44Å; V367-W419 HydrophobicContact CB-CZ3 3.86Å; V367-W419 HydrophobicContact CG1-CH2 4.02Å; V367-W419 HydrophobicContact CG1-CZ3 3.78Å; V367-W419 HydrophobicContact CG2-CZ3 4.35Å; R368-W419 HydrophobicContact CG-CH2 4.48Å; R416-W419 VanDerWaalsContact O-CB 3.23Å; R416-W419 WeakPolarHBondContact O-CB 3.4Å; R416-W419 PolarHBondContact O-N 2.89Å; W419-P421 HydrophobicContact CD2-CB 4.44Å; W419-P421 HydrophobicContact CD2-CG 4.26Å; W419-P421 HydrophobicContact CE3-CB 4.2Å; W419-P421 HydrophobicContact CH2-CB 3.71Å; W419-P421 HydrophobicContact CH2-CG 3.9Å; W419-P421 HydrophobicContact CZ2-CB 3.96Å; W419-P421 HydrophobicContact CZ2-CG 3.6Å; W419-P421 HydrophobicContact CZ3-CB 3.83Å; W419-P421 HydrophobicContact CZ3-CG 4.33Å; W419-G422 WeakPolarHBondContact O-CA 3.28Å; W419-G422 PolarHBondContact O-N 2.75Å; W419-V423 PolarHBondContact O-N 2.9Å; W419-Y537 AromaticContact NE1-CZ 3.95Å; W419-Y537 PolarHBondContact NE1-OH 2.8Å
420R69.1Low79.9Confident59 Ų5934.4 Ų34.422%0.22317%0.171CC..Hα-helixtrans-51.5-48.9-163.7-65.7177179.1-170.7-5.3115F138 G139 F140 L418 G422 V423 K424 Y683 E685F138-R420 PolarHBondContact O-NE 3.01Å; F138-R420 PolarHBondContact O-NH2 3.12Å; G139-R420 VanDerWaalsContact CA-CZ 3.43Å; F140-R420 HydrophobicContact CE1-CB 4.18Å; F140-R420 HydrophobicContact CE1-CG 4.38Å; F140-R420 HydrophobicContact CE2-CG 4.3Å; F140-R420 HydrophobicContact CZ-CB 4.04Å; F140-R420 HydrophobicContact CZ-CG 3.89Å; L418-R420 PolarHBondContact O-N 2.87Å; R420-G422 VanDerWaalsContact C-N 3.34Å; R420-G422 PolarHBondContact O-N 3.45Å; R420-V423 PolarHBondContact O-N 3.3Å; R420-K424 WeakPolarHBondContact O-CB 3.47Å; R420-K424 PolarHBondContact O-N 2.92Å; R420-Y683 PolarHBondContact NE-OH 2.75Å; R420-Y683 VanDerWaalsContact NE-OH 3.16Å; R420-Y683 PolarHBondContact NH2-OH 3.1Å; R420-E685 IonicContact CZ-OE1 3.65Å; R420-E685 IonicContact NE-OE1 3.87Å; R420-E685 IonicContact NE-OE2 3.9Å; R420-E685 VanDerWaalsContact NH2-CD 3.35Å; R420-E685 IonicContact NH2-OE1 2.67Å; R420-E685 PolarHBondContact NH2-OE1 3.35Å; R420-E685 IonicContact NH2-OE2 3.86Å
421P74.1Confident79.5Confident37 Ų3738 Ų3824%0.2419%0.188CC..Hα-helixtrans-63.5-34.9175.7-2334.9000114.1W419 K424 A425 I536W419-P421 HydrophobicContact CD2-CB 4.44Å; W419-P421 HydrophobicContact CD2-CG 4.26Å; W419-P421 HydrophobicContact CE3-CB 4.2Å; W419-P421 HydrophobicContact CH2-CB 3.71Å; W419-P421 HydrophobicContact CH2-CG 3.9Å; W419-P421 HydrophobicContact CZ2-CB 3.96Å; W419-P421 HydrophobicContact CZ2-CG 3.6Å; W419-P421 HydrophobicContact CZ3-CB 3.83Å; W419-P421 HydrophobicContact CZ3-CG 4.33Å; P421-K424 PolarHBondContact O-N 3Å; P421-A425 PolarHBondContact O-N 3.07Å; P421-I536 HydrophobicContact CG-CD1 4.41Å
422G82.4Confident79.6Confident5 Ų534.1 Ų34.15%0.05217%0.17CC..Hα-helixtrans-66.9-43.4176.500000112.5W419 R420 A425 L426W419-G422 WeakPolarHBondContact O-CA 3.28Å; W419-G422 PolarHBondContact O-N 2.75Å; R420-G422 VanDerWaalsContact C-N 3.34Å; R420-G422 PolarHBondContact O-N 3.45Å; G422-A425 PolarHBondContact O-N 3.41Å; G422-L426 PolarHBondContact O-N 3.13Å; G422-L426 VanDerWaalsContact O-N 3.07Å
423V77.9Confident80Confident1 Ų133.5 Ų33.51%0.00616%0.158CC..Hα-helixtrans-63.7-45.1172.31760000110.7F140 W419 R420 A425 L426 L427 L459F140-V423 HydrophobicContact CD1-CG1 4.46Å; F140-V423 HydrophobicContact CE1-CB 3.74Å; F140-V423 HydrophobicContact CE1-CG1 3.68Å; F140-V423 HydrophobicContact CE2-CG1 4.31Å; F140-V423 HydrophobicContact CZ-CB 3.52Å; F140-V423 HydrophobicContact CZ-CG1 3.59Å; F140-V423 HydrophobicContact CZ-CG2 3.97Å; W419-V423 PolarHBondContact O-N 2.9Å; R420-V423 PolarHBondContact O-N 3.3Å; V423-A425 VanDerWaalsContact C-N 3.31Å; V423-A425 PolarHBondContact O-N 3.24Å; V423-L426 WeakPolarHBondContact O-CA 3.36Å; V423-L426 WeakPolarHBondContact O-CB 3.42Å; V423-L426 PolarHBondContact O-N 3.03Å; V423-L427 HydrophobicContact CG1-CD1 4.02Å; V423-L427 HydrophobicContact CG1-CG 4.08Å; V423-L427 WeakPolarHBondContact O-CG 3.39Å; V423-L427 PolarHBondContact O-N 3.29Å; V423-L459 HydrophobicContact CG1-CB 4.37Å; V423-L459 HydrophobicContact CG1-CD1 3.95Å; V423-L459 HydrophobicContact CG2-CD1 4.27Å
424K76.7Confident80.3Confident81 Ų8135.4 Ų35.435%0.35217%0.167SC..Hα-helixtrans-54.7-47.6177.4-178.5-166.4165.6-149.10111.4E372 R420 P421 L426 L427 R428E372-K424 IonicContact OE2-NZ 3.79Å; E372-K424 PolarHBondContact OE2-NZ 3.4Å; R420-K424 WeakPolarHBondContact O-CB 3.47Å; R420-K424 PolarHBondContact O-N 2.92Å; P421-K424 PolarHBondContact O-N 3Å; K424-L426 VanDerWaalsContact C-N 3.34Å; K424-L426 PolarHBondContact O-N 2.91Å; K424-L427 PolarHBondContact O-N 2.94Å; K424-R428 PolarHBondContact O-N 3.05Å
425A84.1Confident81.1Confident4 Ų436.3 Ų36.33%0.03318%0.179CC..Hα-helixtrans-60-42.2176.100000112.1E372 P421 G422 V423 R428 I429E372-A425 HydrophobicContact CG-CB 3.9Å; P421-A425 PolarHBondContact O-N 3.07Å; G422-A425 PolarHBondContact O-N 3.41Å; V423-A425 VanDerWaalsContact C-N 3.31Å; V423-A425 PolarHBondContact O-N 3.24Å; A425-R428 PolarHBondContact O-N 3.45Å; A425-I429 WeakPolarHBondContact O-CB 3.14Å; A425-I429 WeakPolarHBondContact O-CD1 3.5Å; A425-I429 VanDerWaalsContact O-CG1 3.25Å; A425-I429 WeakPolarHBondContact O-CG1 3.43Å; A425-I429 PolarHBondContact O-N 2.84Å
426L88.8Confident82.5Confident55 Ų5535.9 Ų35.929%0.28818%0.177SC..Hα-helixtrans-60.8-46.6174.2176.363000112.3G422 V423 K424 R428 I429 I430 L456 V460G422-L426 PolarHBondContact O-N 3.13Å; G422-L426 VanDerWaalsContact O-N 3.07Å; V423-L426 WeakPolarHBondContact O-CA 3.36Å; V423-L426 WeakPolarHBondContact O-CB 3.42Å; V423-L426 PolarHBondContact O-N 3.03Å; K424-L426 VanDerWaalsContact C-N 3.34Å; K424-L426 PolarHBondContact O-N 2.91Å; L426-R428 VanDerWaalsContact C-N 3.31Å; L426-R428 PolarHBondContact O-N 3.29Å; L426-I429 WeakPolarHBondContact O-CB 3.18Å; L426-I429 PolarHBondContact O-N 2.84Å; L426-I430 HydrophobicContact CD1-CD1 4.01Å; L426-I430 HydrophobicContact CD1-CG1 4.29Å; L426-I430 HydrophobicContact CG-CD1 4.04Å; L426-I430 WeakPolarHBondContact O-CG1 3.32Å; L426-I430 PolarHBondContact O-N 2.84Å; L426-L456 HydrophobicContact CD2-CD1 4.1Å; L426-V460 HydrophobicContact CD2-CG2 3.94Å
427L81.7Confident83.6Confident10 Ų1032.8 Ų32.85%0.05217%0.166CC..Hα-helixtrans-63.1-38.8178.5-61.7-179.5000111.5T143 V423 K424 I430 E431 V460 F463T143-L427 HydrophobicContact CG2-CD1 4.03Å; V423-L427 HydrophobicContact CG1-CD1 4.02Å; V423-L427 HydrophobicContact CG1-CG 4.08Å; V423-L427 WeakPolarHBondContact O-CG 3.39Å; V423-L427 PolarHBondContact O-N 3.29Å; K424-L427 PolarHBondContact O-N 2.94Å; L427-I430 PolarHBondContact O-N 3.48Å; L427-E431 WeakPolarHBondContact O-CB 3.39Å; L427-E431 PolarHBondContact O-N 2.87Å; L427-V460 HydrophobicContact CD2-CB 4.37Å; L427-V460 HydrophobicContact CD2-CG2 3.81Å; L427-F463 HydrophobicContact CB-CE1 4.41Å; L427-F463 HydrophobicContact CB-CE2 4Å; L427-F463 HydrophobicContact CB-CZ 3.94Å; L427-F463 HydrophobicContact CD1-CE2 3.72Å; L427-F463 HydrophobicContact CD1-CZ 4.09Å; L427-F463 HydrophobicContact CD2-CD2 3.68Å; L427-F463 HydrophobicContact CD2-CE2 3.62Å; L427-F463 HydrophobicContact CD2-CZ 4.42Å; L427-F463 HydrophobicContact CG-CD2 4.46Å; L427-F463 HydrophobicContact CG-CE2 3.95Å; L427-F463 HydrophobicContact CG-CZ 4.35Å
428R84.1Confident84.2Confident89 Ų8933 Ų3334%0.33617%0.168SC..Hα-helixtrans-64-43.2174.3179.856177.5163.82.2112.2E372 K424 A425 L426 E431 V432E372-R428 WeakPolarHBondContact OE1-CB 3.35Å; E372-R428 WeakPolarHBondContact OE1-CG 3.31Å; K424-R428 PolarHBondContact O-N 3.05Å; A425-R428 PolarHBondContact O-N 3.45Å; L426-R428 VanDerWaalsContact C-N 3.31Å; L426-R428 PolarHBondContact O-N 3.29Å; R428-E431 IonicContact CZ-OE2 2.72Å; R428-E431 IonicContact NH1-OE2 3.49Å; R428-E431 PolarHBondContact NH1-OE2 2.79Å; R428-E431 PolarHBondContact O-N 3.29Å; R428-V432 WeakPolarHBondContact O-CG2 3.49Å; R428-V432 PolarHBondContact O-N 2.78Å
429I91.9Very high85.3Confident24 Ų2433.9 Ų33.912%0.12317%0.171CC..Hα-helixtrans-59-48.2174.8-73.8162.5000110.5L376 V379 A425 L426 V432 V433L376-I429 HydrophobicContact CB-CG1 4.39Å; L376-I429 HydrophobicContact CD1-CB 4.46Å; L376-I429 HydrophobicContact CD1-CG1 3.88Å; V379-I429 HydrophobicContact CB-CG2 3.98Å; V379-I429 HydrophobicContact CG1-CG2 3.62Å; V379-I429 HydrophobicContact CG2-CD1 4.18Å; V379-I429 HydrophobicContact CG2-CG2 4.09Å; A425-I429 WeakPolarHBondContact O-CB 3.14Å; A425-I429 WeakPolarHBondContact O-CD1 3.5Å; A425-I429 VanDerWaalsContact O-CG1 3.25Å; A425-I429 WeakPolarHBondContact O-CG1 3.43Å; A425-I429 PolarHBondContact O-N 2.84Å; L426-I429 WeakPolarHBondContact O-CB 3.18Å; L426-I429 PolarHBondContact O-N 2.84Å; I429-V432 PolarHBondContact O-N 2.95Å; I429-V433 HydrophobicContact CG2-CG2 4.38Å; I429-V433 WeakPolarHBondContact O-CB 3.35Å; I429-V433 VanDerWaalsContact O-CG2 3.29Å; I429-V433 WeakPolarHBondContact O-CG2 3.32Å; I429-V433 PolarHBondContact O-N 3.42Å
430I87.8Confident86.2Confident29 Ų2933 Ų3315%0.14917%0.169CC..Hα-helixtrans-62.3-46.6179.7-66.1171.8000110.7L426 L427 V432 V433 E434 V460 F463 I464L426-I430 HydrophobicContact CD1-CD1 4.01Å; L426-I430 HydrophobicContact CD1-CG1 4.29Å; L426-I430 HydrophobicContact CG-CD1 4.04Å; L426-I430 WeakPolarHBondContact O-CG1 3.32Å; L426-I430 PolarHBondContact O-N 2.84Å; L427-I430 PolarHBondContact O-N 3.48Å; I430-V432 VanDerWaalsContact C-N 3.32Å; I430-V432 PolarHBondContact O-N 2.69Å; I430-V433 PolarHBondContact O-N 3.01Å; I430-E434 HydrophobicContact CG2-CG 4.03Å; I430-E434 VanDerWaalsContact O-CB 3.31Å; I430-E434 WeakPolarHBondContact O-CB 3.23Å; I430-E434 VanDerWaalsContact O-CG 3.27Å; I430-E434 WeakPolarHBondContact O-CG 3.39Å; I430-E434 PolarHBondContact O-N 2.88Å; I430-V460 HydrophobicContact CD1-CG1 3.47Å; I430-V460 VanDerWaalsContact CD1-CG1 3.47Å; I430-V460 HydrophobicContact CD1-CG2 4.38Å; I430-F463 HydrophobicContact CG2-CB 3.77Å; I430-I464 HydrophobicContact CG2-CG1 4.38Å
431E84.1Confident87.5Confident79 Ų7931.4 Ų31.437%0.36916%0.164SC..Hα-helixtrans-55.5-45176.5-178.8-174.5-134.900112.5L427 R428 A435 F463L427-E431 WeakPolarHBondContact O-CB 3.39Å; L427-E431 PolarHBondContact O-N 2.87Å; R428-E431 IonicContact CZ-OE2 2.72Å; R428-E431 IonicContact NH1-OE2 3.49Å; R428-E431 PolarHBondContact NH1-OE2 2.79Å; R428-E431 PolarHBondContact O-N 3.29Å; E431-A435 WeakPolarHBondContact O-CB 3.19Å; E431-A435 PolarHBondContact O-N 3.31Å; E431-F463 HydrophobicContact CB-CD1 4.33Å
432V90.9Very high88.4Confident6 Ų630.3 Ų30.34%0.03616%0.16CC..Hα-helixtrans-70.2-39.1180173.50000111.6W316 L376 L380 R428 I429 I430 N436W316-V432 HydrophobicContact CH2-CG1 3.79Å; W316-V432 HydrophobicContact CZ2-CG1 3.43Å; W316-V432 VanDerWaalsContact CZ2-CG1 3.43Å; L376-V432 HydrophobicContact CD1-CB 4.06Å; L376-V432 HydrophobicContact CD1-CG1 4.1Å; L376-V432 HydrophobicContact CD1-CG2 4.29Å; L376-V432 HydrophobicContact CD2-CG2 4.34Å; L380-V432 HydrophobicContact CD2-CG1 4.03Å; R428-V432 WeakPolarHBondContact O-CG2 3.49Å; R428-V432 PolarHBondContact O-N 2.78Å; I429-V432 PolarHBondContact O-N 2.95Å; I430-V432 VanDerWaalsContact C-N 3.32Å; I430-V432 PolarHBondContact O-N 2.69Å; V432-N436 WeakPolarHBondContact O-CB 3.47Å; V432-N436 PolarHBondContact O-N 2.95Å; V432-N436 PolarHBondContact O-ND2 3.32Å
433V93.1Very high88.9Confident30 Ų3032.1 Ų32.118%0.18217%0.165CC..Hα-helixtrans-67.4-49.8178.7171.40000110.9V379 I429 I430 A435 N436 Y437V379-V433 HydrophobicContact CG1-CG2 4.18Å; I429-V433 HydrophobicContact CG2-CG2 4.38Å; I429-V433 WeakPolarHBondContact O-CB 3.35Å; I429-V433 VanDerWaalsContact O-CG2 3.29Å; I429-V433 WeakPolarHBondContact O-CG2 3.32Å; I429-V433 PolarHBondContact O-N 3.42Å; I430-V433 PolarHBondContact O-N 3.01Å; V433-A435 VanDerWaalsContact C-N 3.28Å; V433-A435 PolarHBondContact O-N 2.84Å; V433-N436 PolarHBondContact O-N 3.33Å; V433-Y437 WeakPolarHBondContact O-CA 3.43Å; V433-Y437 WeakPolarHBondContact O-CB 3.36Å; V433-Y437 PolarHBondContact O-N 2.62Å
434E85.6Confident89.7Confident49 Ų4932.9 Ų32.923%0.22917%0.169CC..Hα-helixtrans-55.8-39.6176.5-75.4-80175.800112.6I430I430-E434 HydrophobicContact CG2-CG 4.03Å; I430-E434 VanDerWaalsContact O-CB 3.31Å; I430-E434 WeakPolarHBondContact O-CB 3.23Å; I430-E434 VanDerWaalsContact O-CG 3.27Å; I430-E434 WeakPolarHBondContact O-CG 3.39Å; I430-E434 PolarHBondContact O-N 2.88Å
435A87.4Confident90.5Very high56 Ų5629 Ų2946%0.46315%0.152SC..Hα-helixtrans-73.7-32.6-179.700000114E431 V433E431-A435 WeakPolarHBondContact O-CB 3.19Å; E431-A435 PolarHBondContact O-N 3.31Å; V433-A435 VanDerWaalsContact C-N 3.28Å; V433-A435 PolarHBondContact O-N 2.84Å
436N94.7Very high91Very high11 Ų1129.3 Ų29.36%0.05915%0.153CC..Hα-helixtrans-116.2-16.1-166.6-62.9-75.6000115S313 W316 V432 V433 P438S313-N436 WeakPolarHBondContact CA-OD1 3.38Å; W316-N436 HydrophobicContact CE3-CB 3.84Å; W316-N436 HydrophobicContact CZ3-CB 3.76Å; V432-N436 WeakPolarHBondContact O-CB 3.47Å; V432-N436 PolarHBondContact O-N 2.95Å; V432-N436 PolarHBondContact O-ND2 3.32Å; V433-N436 PolarHBondContact O-N 3.33Å; N436-P438 WeakPolarHBondContact O-CD 3.23Å
437Y94.8Very high91.2Very high9 Ų926.7 Ų26.74%0.03514%0.139CC..  trans-123.148.5-178-61.5-95.5000112.9W316 V322 L380 N383 E384 V433 T440W316-Y437 HydrophobicContact CZ3-CE2 4.45Å; V322-Y437 WeakPolarHBondContact CG1-OH 3.31Å; L380-Y437 HydrophobicContact CD2-CE2 3.56Å; N383-Y437 HydrophobicContact CB-CD1 3.66Å; N383-Y437 HydrophobicContact CB-CE1 3.46Å; N383-Y437 VanDerWaalsContact CB-CE1 3.46Å; N383-Y437 HydrophobicContact CB-CE2 4.39Å; N383-Y437 HydrophobicContact CB-CG 4.2Å; E384-Y437 HydrophobicContact CG-CE1 4.5Å; E384-Y437 WeakPolarHBondContact OE1-CE1 3.01Å; E384-Y437 PolarHBondContact OE1-OH 3.46Å; V433-Y437 WeakPolarHBondContact O-CA 3.43Å; V433-Y437 WeakPolarHBondContact O-CB 3.36Å; V433-Y437 PolarHBondContact O-N 2.62Å; Y437-T440 HydrophobicContact CD1-CG2 4.45Å; Y437-T440 WeakPolarHBondContact O-CB 3.49Å; Y437-T440 VanDerWaalsContact O-CG2 3.29Å; Y437-T440 WeakPolarHBondContact O-CG2 3.5Å; Y437-T440 PolarHBondContact O-N 3.24Å; Y437-T440 PolarHBondContact O-OG1 2.9Å
438P93.6Very high91.4Very high15 Ų1527.7 Ų27.710%0.09714%0.142CC..THydrogen-bonded Turntrans-58.8145.6178.626.1-34.5000111.9R294 F295 A298 N436 T440R294-P438 WeakPolarHBondContact CB-O 3.11Å; R294-P438 WeakPolarHBondContact CD-O 3.49Å; F295-P438 HydrophobicContact CD1-CG 4.01Å; F295-P438 HydrophobicContact CD2-CG 3.89Å; F295-P438 HydrophobicContact CE1-CG 3.83Å; F295-P438 HydrophobicContact CE2-CG 3.71Å; F295-P438 HydrophobicContact CG-CG 4.03Å; F295-P438 HydrophobicContact CZ-CG 3.67Å; A298-P438 HydrophobicContact CB-CB 3.57Å; N436-P438 WeakPolarHBondContact O-CD 3.23Å; P438-T440 PolarHBondContact O-N 2.82Å
439E93.2Very high91.2Very high40 Ų4024 Ų2419%0.18713%0.131CC..THydrogen-bonded Turntrans5127.4179.8-58.3-43.9119.300116.4R294 R297 A298 N467 K471R294-E439 HydrophobicContact CB-CB 4.24Å; R294-E439 HydrophobicContact CG-CB 4.09Å; R297-E439 HydrophobicContact CB-CG 3.92Å; A298-E439 HydrophobicContact CB-CG 4.26Å; E439-N467 PolarHBondContact OE1-ND2 3.47Å; E439-N467 PolarHBondContact OE2-ND2 2.93Å; E439-K471 IonicContact OE1-NZ 3.53Å; E439-K471 IonicContact OE2-NZ 3.97Å; E439-K471 PolarHBondContact OE2-NZ 2.85Å
440T95Very high90.4Very high5 Ų524.3 Ų24.33%0.03114%0.135CC..  trans-92.4-34.8174.761.40000112.9L387 C403 W404 Y437 P438L387-T440 HydrophobicContact CD2-CG2 3.67Å; C403-T440 CarbonylContact C-O 3.45Å; C403-T440 WeakPolarHBondContact CA-O 3.32Å; C403-T440 WeakPolarHBondContact CB-O 3.4Å; W404-T440 PolarHBondContact N-O 2.72Å; W404-T440 PolarHBondContact NE1-O 3.14Å; Y437-T440 HydrophobicContact CD1-CG2 4.45Å; Y437-T440 WeakPolarHBondContact O-CB 3.49Å; Y437-T440 VanDerWaalsContact O-CG2 3.29Å; Y437-T440 WeakPolarHBondContact O-CG2 3.5Å; Y437-T440 PolarHBondContact O-N 3.24Å; Y437-T440 PolarHBondContact O-OG1 2.9Å; P438-T440 PolarHBondContact O-N 2.82Å
441L94.8Very high89.2Confident25 Ų2528.2 Ų28.213%0.13115%0.148CC..EExtended strand (participates in β ladder)trans-75.9126.4171-175.869.5000109.8C406 R443 L444 T468 K471 F472C406-L441 HydrophobicContact CB-CD1 3.89Å; L441-R443 WeakPolarHBondContact CD1-O 3.33Å; L441-L444 HydrophobicContact CD2-CB 4.22Å; L441-T468 HydrophobicContact CD2-CG2 3.96Å; L441-K471 VanDerWaalsContact O-CD 3.26Å; L441-K471 WeakPolarHBondContact O-CD 3.27Å; L441-K471 PolarHBondContact O-NZ 2.86Å; L441-K471 VanDerWaalsContact O-NZ 3.09Å; L441-F472 HydrophobicContact CD2-CD1 4.47Å; L441-F472 HydrophobicContact CD2-CE1 3.81Å
442G93.3Very high88.3Confident14 Ų1424.5 Ų24.514%0.14413%0.131CC..EExtended strand (participates in β ladder)trans-97.9-35.1175.900000113.7R351 W404R351-G442 VanDerWaalsContact NH1-C 3.28Å; R351-G442 PolarHBondContact NH1-O 2.78Å; R351-G442 VanDerWaalsContact NH1-O 3.09Å; W404-G442 PolarHBondContact O-N 3.21Å
443R93.1Very high87.5Confident42 Ų4224.8 Ų24.816%0.15813%0.131CC..EExtended strand (participates in β ladder)trans-160.9140.5178.1-172.4175.2-76.9124.4-5.3109.9D347 D349 T405 C406 L441 L445 K471 L473D347-R443 IonicContact OD2-NH1 2.64Å; D349-R443 IonicContact OD2-NH1 3.75Å; T405-R443 WeakPolarHBondContact CA-O 3.45Å; T405-R443 HydrophobicContact CG2-CB 4.14Å; C406-R443 PolarHBondContact N-O 2.82Å; L441-R443 WeakPolarHBondContact CD1-O 3.33Å; R443-L445 HydrophobicContact CG-CD2 4.13Å; R443-L445 HydrophobicContact CG-CG 4.24Å; R443-K471 WeakPolarHBondContact CA-O 3.42Å; R443-L473 HydrophobicContact CG-CD1 3.51Å
444L95.1Very high86.1Confident18 Ų1824.3 Ų24.39%0.09413%0.129CC..EExtended strand (participates in β ladder)trans-115119.8168.5-169.870.5000109.6C406 V408 L441 I446 K471 F472 L473C406-L444 HydrophobicContact CB-CD1 3.52Å; C406-L444 CarbonylContact O-C 3.52Å; C406-L444 VanDerWaalsContact O-CA 3.31Å; C406-L444 WeakPolarHBondContact O-CA 3.23Å; C406-L444 VanDerWaalsContact SG-CD1 3.59Å; V408-L444 HydrophobicContact CG2-CD1 3.7Å; L441-L444 HydrophobicContact CD2-CB 4.22Å; L444-I446 HydrophobicContact CD2-CD1 3.8Å; L444-I446 HydrophobicContact CD2-CG1 3.81Å; L444-I446 HydrophobicContact CG-CD1 4.46Å; L444-I446 HydrophobicContact CG-CG1 3.93Å; L444-K471 PolarHBondContact N-O 2.92Å; L444-F472 HydrophobicContact CB-CD1 3.58Å; L444-F472 HydrophobicContact CB-CE1 3.88Å; L444-F472 HydrophobicContact CB-CG 4.02Å; L444-F472 HydrophobicContact CD2-CD1 3.8Å; L444-F472 HydrophobicContact CD2-CD2 3.62Å; L444-F472 HydrophobicContact CD2-CE1 3.59Å; L444-F472 HydrophobicContact CD2-CE2 3.38Å; L444-F472 HydrophobicContact CD2-CG 3.83Å; L444-F472 HydrophobicContact CD2-CZ 3.39Å; L444-F472 HydrophobicContact CG-CD1 4.33Å; L444-F472 HydrophobicContact CG-CE1 4.37Å; L444-F472 HydrophobicContact CG-CG 4.49Å; L444-F472 WeakPolarHBondContact O-CA 3.45Å; L444-L473 PolarHBondContact O-N 3.02Å
445L94.6Very high84.8Confident0 Ų022.4 Ų22.40%012%0.121CC..EExtended strand (participates in β ladder)trans-103.896.1178.7-62.9169.1000108.3T405 C406 L407 V408 R443 L447 L473 Y475 L486 Y489 I490T405-L445 HydrophobicContact CG2-CD1 4.02Å; C406-L445 PolarHBondContact O-N 2.93Å; L407-L445 CarbonylContact C-O 3.47Å; L407-L445 WeakPolarHBondContact CA-O 3.31Å; L407-L445 HydrophobicContact CB-CB 4.32Å; L407-L445 HydrophobicContact CG-CB 4.25Å; V408-L445 PolarHBondContact N-O 2.92Å; R443-L445 HydrophobicContact CG-CD2 4.13Å; R443-L445 HydrophobicContact CG-CG 4.24Å; L445-L447 HydrophobicContact CB-CD2 4.33Å; L445-L473 HydrophobicContact CD2-CB 4.29Å; L445-L473 HydrophobicContact CD2-CD1 4.19Å; L445-Y475 HydrophobicContact CD2-CE2 4.15Å; L445-L486 HydrophobicContact CD1-CD2 3.96Å; L445-Y489 HydrophobicContact CD2-CD2 3.82Å; L445-Y489 HydrophobicContact CD2-CE2 4.26Å; L445-I490 HydrophobicContact CD1-CD1 4.06Å
446I93.2Very high83.9Confident10 Ų1020.4 Ų20.45%0.05110%0.102CC..EExtended strand (participates in β ladder)trans-89.8112.2177.6-57.5-175.9000108.5V408 L410 L444 F453 F472 L473 I474 Y475V408-I446 CarbonylContact O-C 3.59Å; V408-I446 WeakPolarHBondContact O-CA 3.47Å; L410-I446 HydrophobicContact CD1-CG2 3.34Å; L410-I446 HydrophobicContact CG-CG2 3.85Å; L444-I446 HydrophobicContact CD2-CD1 3.8Å; L444-I446 HydrophobicContact CD2-CG1 3.81Å; L444-I446 HydrophobicContact CG-CD1 4.46Å; L444-I446 HydrophobicContact CG-CG1 3.93Å; I446-F453 HydrophobicContact CD1-CE2 4.28Å; I446-F453 HydrophobicContact CD1-CZ 4.13Å; I446-F453 HydrophobicContact CG2-CE2 4.28Å; I446-F453 HydrophobicContact CG2-CZ 4.45Å; I446-F472 HydrophobicContact CD1-CD2 4.12Å; I446-L473 PolarHBondContact N-O 2.83Å; I446-I474 HydrophobicContact CB-CB 4.43Å; I446-I474 HydrophobicContact CB-CG1 4.2Å; I446-I474 HydrophobicContact CB-CG2 4.19Å; I446-I474 HydrophobicContact CD1-CD1 4.02Å; I446-I474 HydrophobicContact CD1-CG1 4.16Å; I446-I474 HydrophobicContact CG1-CG1 4.48Å; I446-I474 HydrophobicContact CG2-CG2 4.12Å; I446-I474 WeakPolarHBondContact O-CA 3.42Å; I446-Y475 PolarHBondContact O-N 3.44Å
447L92.3Very high82.8Confident0 Ų020.5 Ų20.50%010%0.101CC..EExtended strand (participates in β ladder)trans-107.2153.5-173.2-50.9-170.6000112.5L407 V408 L410 L445 A449 Y475 Y480 L486 L499L407-L447 HydrophobicContact CD1-CD1 4.04Å; L407-L447 HydrophobicContact CD2-CD1 3.73Å; L407-L447 HydrophobicContact CD2-CG 4.18Å; L407-L447 HydrophobicContact CG-CD1 3.9Å; L407-L447 HydrophobicContact CG-CG 4.27Å; V408-L447 PolarHBondContact O-N 2.79Å; L410-L447 WeakPolarHBondContact CB-O 3.44Å; L410-L447 PolarHBondContact N-O 2.82Å; L445-L447 HydrophobicContact CB-CD2 4.33Å; L447-A449 PolarHBondContact O-N 2.86Å; L447-A449 VanDerWaalsContact O-N 3.11Å; L447-Y475 HydrophobicContact CD2-CD2 3.61Å; L447-Y475 HydrophobicContact CD2-CE2 4.27Å; L447-Y475 HydrophobicContact CD2-CG 4.22Å; L447-Y480 HydrophobicContact CD1-CD2 4.31Å; L447-Y480 HydrophobicContact CD2-CG 4.29Å; L447-L486 HydrophobicContact CD1-CD1 3.89Å; L447-L486 HydrophobicContact CD1-CD2 3.95Å; L447-L486 HydrophobicContact CD1-CG 4.3Å; L447-L486 HydrophobicContact CD2-CD2 4.04Å; L447-L499 HydrophobicContact CD1-CD1 3.6Å; L447-L499 HydrophobicContact CD1-CD2 3.77Å; L447-L499 HydrophobicContact CD1-CG 4.31Å
448R86.4Confident81.2Confident30 Ų3022.2 Ų22.211%0.11311%0.113CC..SBendtrans54.133.7169.6-54-168.3-70.3168.77.6112.9D409 E411 P450 Y475 Y480D409-R448 IonicContact OD1-CZ 3.59Å; D409-R448 VanDerWaalsContact OD1-CZ 3.3Å; D409-R448 IonicContact OD1-NE 2.7Å; D409-R448 PolarHBondContact OD1-NE 2.92Å; D409-R448 IonicContact OD1-NH2 3.8Å; D409-R448 PolarHBondContact OD1-NH2 3Å; D409-R448 IonicContact OD2-CZ 3.66Å; D409-R448 IonicContact OD2-NH2 2.78Å; D409-R448 PolarHBondContact OD2-NH2 3.32Å; E411-R448 HydrophobicContact CB-CB 4.4Å; E411-R448 VanDerWaalsContact CB-CZ 3.49Å; E411-R448 VanDerWaalsContact CB-NH2 3.3Å; E411-R448 IonicContact OE1-CZ 3.69Å; E411-R448 IonicContact OE1-NH1 3.18Å; E411-R448 PolarHBondContact OE1-NH1 3.37Å; E411-R448 VanDerWaalsContact OE1-NH1 3.1Å; E411-R448 IonicContact OE2-CZ 2.77Å; E411-R448 IonicContact OE2-NH1 3.38Å; E411-R448 PolarHBondContact OE2-NH1 3.26Å; E411-R448 IonicContact OE2-NH2 3.73Å; E411-R448 PolarHBondContact OE2-NH2 3.29Å; R448-P450 WeakPolarHBondContact O-CD 3.49Å; R448-P450 VanDerWaalsContact O-N 3.09Å; R448-Y475 PolarHBondContact N-O 2.89Å; R448-Y480 HydrophobicContact CG-CD1 4.18Å; R448-Y480 HydrophobicContact CG-CE1 3.6Å
449A80.2Confident79.7Confident13 Ų1321.9 Ų21.911%0.10711%0.11CC..  trans-56.7110.9-173.800000111.8L410 L447 F453 I474 Y475L410-A449 HydrophobicContact CD1-CB 4.07Å; L447-A449 PolarHBondContact O-N 2.86Å; L447-A449 VanDerWaalsContact O-N 3.11Å; A449-F453 HydrophobicContact CB-CB 4.18Å; A449-F453 HydrophobicContact CB-CD1 4.06Å; A449-F453 HydrophobicContact CB-CG 4.07Å; A449-I474 HydrophobicContact CB-CG2 4.16Å; A449-Y475 WeakPolarHBondContact CB-O 3.36Å; A449-Y475 PolarHBondContact N-O 2.87Å
450P74.8Confident78.7Confident30 Ų3020.6 Ų20.620%0.19511%0.105CC..  trans-81.8172.7-178.932.5-32000110.5L410 L413 R448 V452 F453L410-P450 WeakPolarHBondContact O-CD 3.19Å; L410-P450 WeakPolarHBondContact O-CG 3.31Å; L413-P450 HydrophobicContact CB-CG 3.68Å; L413-P450 HydrophobicContact CD2-CG 4.24Å; L413-P450 HydrophobicContact CG-CG 4.44Å; L413-P450 VanDerWaalsContact O-CG 3.23Å; L413-P450 WeakPolarHBondContact O-CG 3.36Å; R448-P450 WeakPolarHBondContact O-CD 3.49Å; R448-P450 VanDerWaalsContact O-N 3.09Å; P450-V452 HydrophobicContact CG-CG1 4.15Å; P450-V452 PolarHBondContact O-N 3.08Å; P450-F453 WeakPolarHBondContact O-CB 3.38Å; P450-F453 PolarHBondContact O-N 3.4Å
451R63.7Low77.5Confident110 Ų11021.4 Ų21.442%0.41511%0.111SC..THydrogen-bonded Turntrans-65-18.6-169.3-59.4-170.9179.6-137.911.9115.1F453 P454 G694 S695 T697R451-F453 VanDerWaalsContact C-N 3.31Å; R451-P454 WeakPolarHBondContact O-CD 3.36Å; R451-G694 PolarHBondContact NH1-O 3.28Å; R451-S695 VanDerWaalsContact C-OG 3.27Å; R451-S695 WeakPolarHBondContact CB-O 3.32Å; R451-S695 VanDerWaalsContact CD-C 3.48Å; R451-S695 WeakPolarHBondContact CD-O 3.49Å; R451-S695 PolarHBondContact O-OG 3.22Å; R451-T697 VanDerWaalsContact CZ-CB 3.43Å; R451-T697 PolarHBondContact NE-OG1 3.35Å; R451-T697 PolarHBondContact NH2-OG1 2.81Å
452V65.7Low76.1Confident2 Ų223.1 Ų23.11%0.01212%0.124CC..THydrogen-bonded Turntrans-75-18.817367.70000112.9L413 M415 L418 P450 P454 V455 L456L413-V452 HydrophobicContact CB-CG1 4.49Å; L413-V452 HydrophobicContact CD2-CG1 3.87Å; L413-V452 HydrophobicContact CG-CG1 3.95Å; L413-V452 WeakPolarHBondContact O-CG1 3.35Å; M415-V452 HydrophobicContact SD-CG2 3.6Å; M415-V452 VanDerWaalsContact SD-CG2 3.6Å; L418-V452 HydrophobicContact CD1-CG2 3.7Å; L418-V452 HydrophobicContact CG-CG2 4.32Å; P450-V452 HydrophobicContact CG-CG1 4.15Å; P450-V452 PolarHBondContact O-N 3.08Å; V452-P454 VanDerWaalsContact C-CD 3.45Å; V452-V455 WeakPolarHBondContact O-CB 3.32Å; V452-V455 PolarHBondContact O-N 3.41Å; V452-L456 PolarHBondContact O-N 3.16Å
453F73.3Confident74.8Confident11 Ų1124.3 Ų24.35%0.04813%0.125CC..Hα-helixtrans-53-42.2-176.9172.3-105.7000114.8L69 L410 L413 I446 A449 P450 R451 V455 L456 W457 I474L69-F453 HydrophobicContact CD1-CE1 4.17Å; L410-F453 HydrophobicContact CD1-CB 4.27Å; L410-F453 HydrophobicContact CD1-CD2 3.29Å; L410-F453 HydrophobicContact CD1-CE2 3.82Å; L410-F453 HydrophobicContact CD1-CG 3.89Å; L413-F453 HydrophobicContact CD2-CB 4.38Å; I446-F453 HydrophobicContact CD1-CE2 4.28Å; I446-F453 HydrophobicContact CD1-CZ 4.13Å; I446-F453 HydrophobicContact CG2-CE2 4.28Å; I446-F453 HydrophobicContact CG2-CZ 4.45Å; A449-F453 HydrophobicContact CB-CB 4.18Å; A449-F453 HydrophobicContact CB-CD1 4.06Å; A449-F453 HydrophobicContact CB-CG 4.07Å; P450-F453 WeakPolarHBondContact O-CB 3.38Å; P450-F453 PolarHBondContact O-N 3.4Å; R451-F453 VanDerWaalsContact C-N 3.31Å; F453-V455 PolarHBondContact O-N 3.33Å; F453-L456 PolarHBondContact O-N 3.04Å; F453-L456 VanDerWaalsContact O-N 3.14Å; F453-W457 HydrophobicContact CE1-CB 4.18Å; F453-W457 HydrophobicContact CE1-CE3 4.46Å; F453-W457 HydrophobicContact CE1-CG 4.47Å; F453-W457 HydrophobicContact CE2-CB 4.39Å; F453-W457 HydrophobicContact CE2-CE3 4.25Å; F453-W457 HydrophobicContact CZ-CB 4.02Å; F453-W457 HydrophobicContact CZ-CD2 4.11Å; F453-W457 AromaticContact CZ-CE3 3.61Å; F453-W457 HydrophobicContact CZ-CE3 3.61Å; F453-W457 HydrophobicContact CZ-CG 4.31Å; F453-W457 HydrophobicContact CZ-CZ3 4.43Å; F453-W457 WeakPolarHBondContact O-CB 3.14Å; F453-W457 PolarHBondContact O-N 3.37Å; F453-I474 HydrophobicContact CD1-CG2 4.49Å; F453-I474 HydrophobicContact CE1-CD1 3.79Å; F453-I474 HydrophobicContact CE1-CG2 3.9Å; F453-I474 HydrophobicContact CZ-CD1 3.73Å; F453-I474 HydrophobicContact CZ-CG2 4.37Å
454P62.8Low74Confident20 Ų2022.8 Ų22.813%0.1312%0.12CC..Hα-helixtrans-57.9-30176.8-25.236.6000113.5L69 I72 R451 V452 T458L69-P454 HydrophobicContact CG-CB 4.43Å; I72-P454 HydrophobicContact CB-CG 4.48Å; I72-P454 HydrophobicContact CD1-CG 3.98Å; I72-P454 HydrophobicContact CG2-CB 4.5Å; I72-P454 HydrophobicContact CG2-CG 3.97Å; R451-P454 WeakPolarHBondContact O-CD 3.36Å; V452-P454 VanDerWaalsContact C-CD 3.45Å; P454-T458 WeakPolarHBondContact O-CB 3.41Å; P454-T458 PolarHBondContact O-N 2.84Å; P454-T458 PolarHBondContact O-OG1 3.46Å
455V58.7Low72.9Confident10 Ų1024.9 Ų24.96%0.06113%0.131CC..Hα-helixtrans-69.3-51.7175.2-173.40000109.8F138 L418 V452 F453 W457 T458 L459 F692F138-V455 HydrophobicContact CE1-CG1 4.3Å; F138-V455 HydrophobicContact CE2-CG1 4Å; F138-V455 HydrophobicContact CZ-CG1 3.84Å; L418-V455 HydrophobicContact CD1-CB 4.08Å; L418-V455 HydrophobicContact CD1-CG1 3.69Å; V452-V455 WeakPolarHBondContact O-CB 3.32Å; V452-V455 PolarHBondContact O-N 3.41Å; F453-V455 PolarHBondContact O-N 3.33Å; V455-W457 PolarHBondContact O-N 2.94Å; V455-T458 PolarHBondContact O-N 2.88Å; V455-T458 VanDerWaalsContact O-N 3.11Å; V455-L459 WeakPolarHBondContact O-CG 3.32Å; V455-L459 PolarHBondContact O-N 2.96Å; V455-L459 VanDerWaalsContact O-N 3.11Å; V455-F692 HydrophobicContact CG2-CD1 4.26Å; V455-F692 HydrophobicContact CG2-CE1 3.87Å
456L69.6Low71.8Confident13 Ų1327.9 Ų27.97%0.06815%0.145CC..Hα-helixtrans-56.1-42.3174.6-179.560.4000111.3L358 L413 L418 L426 V452 F453 L459 V460L358-L456 HydrophobicContact CD2-CD2 4.39Å; L413-L456 HydrophobicContact CD1-CD2 4.15Å; L413-L456 HydrophobicContact CD2-CD2 4Å; L418-L456 HydrophobicContact CD2-CB 3.92Å; L418-L456 HydrophobicContact CD2-CD1 4.03Å; L426-L456 HydrophobicContact CD2-CD1 4.1Å; V452-L456 PolarHBondContact O-N 3.16Å; F453-L456 PolarHBondContact O-N 3.04Å; F453-L456 VanDerWaalsContact O-N 3.14Å; L456-L459 WeakPolarHBondContact O-CB 3.46Å; L456-L459 PolarHBondContact O-N 2.99Å; L456-V460 HydrophobicContact CD1-CG2 3.96Å; L456-V460 HydrophobicContact CG-CG2 4.38Å; L456-V460 WeakPolarHBondContact O-CB 3.44Å; L456-V460 VanDerWaalsContact O-CG2 3.32Å; L456-V460 WeakPolarHBondContact O-CG2 3.47Å; L456-V460 PolarHBondContact O-N 3.11Å
457W71.7Confident70.9Confident13 Ų1330.5 Ų30.55%0.04916%0.159CC..Hα-helixtrans-62.2-43.1176-176.2-98.8000112.6L69 F453 V455 L459 V460 S461 I464 R469 F472 I474L69-W457 HydrophobicContact CD1-CB 4.12Å; L69-W457 HydrophobicContact CD1-CD2 4.24Å; L69-W457 HydrophobicContact CD1-CG 3.6Å; L69-W457 HydrophobicContact CD2-CG 4.45Å; F453-W457 HydrophobicContact CE1-CB 4.18Å; F453-W457 HydrophobicContact CE1-CE3 4.46Å; F453-W457 HydrophobicContact CE1-CG 4.47Å; F453-W457 HydrophobicContact CE2-CB 4.39Å; F453-W457 HydrophobicContact CE2-CE3 4.25Å; F453-W457 HydrophobicContact CZ-CB 4.02Å; F453-W457 HydrophobicContact CZ-CD2 4.11Å; F453-W457 AromaticContact CZ-CE3 3.61Å; F453-W457 HydrophobicContact CZ-CE3 3.61Å; F453-W457 HydrophobicContact CZ-CG 4.31Å; F453-W457 HydrophobicContact CZ-CZ3 4.43Å; F453-W457 WeakPolarHBondContact O-CB 3.14Å; F453-W457 PolarHBondContact O-N 3.37Å; V455-W457 PolarHBondContact O-N 2.94Å; W457-L459 VanDerWaalsContact C-N 3.25Å; W457-L459 PolarHBondContact O-N 2.85Å; W457-V460 PolarHBondContact O-N 2.82Å; W457-S461 VanDerWaalsContact CE2-CB 3.46Å; W457-S461 WeakPolarHBondContact O-CB 3.43Å; W457-S461 PolarHBondContact O-N 2.76Å; W457-S461 PolarHBondContact O-OG 2.77Å; W457-I464 HydrophobicContact CH2-CD1 4.14Å; W457-I464 HydrophobicContact CZ3-CD1 4.03Å; W457-R469 HydrophobicContact CH2-CG 4.2Å; W457-R469 HydrophobicContact CZ2-CG 4.14Å; W457-F472 AromaticContact CH2-CD2 3.55Å; W457-F472 HydrophobicContact CH2-CD2 3.55Å; W457-F472 AromaticContact CH2-CE2 3.79Å; W457-F472 HydrophobicContact CH2-CE2 3.79Å; W457-F472 AromaticContact CZ3-CD2 3.58Å; W457-F472 HydrophobicContact CZ3-CD2 3.58Å; W457-F472 AromaticContact CZ3-CE2 3.63Å; W457-F472 HydrophobicContact CZ3-CE2 3.63Å; W457-I474 HydrophobicContact CZ3-CD1 4.44Å
458T60.3Low70.4Confident46 Ų4631.3 Ų31.328%0.28216%0.164SC..Hα-helixtrans-62-31.5175.5-69.20000112.5F137 P454 V455F137-T458 HydrophobicContact CE1-CG2 4.37Å; F137-T458 HydrophobicContact CE2-CG2 3.82Å; F137-T458 HydrophobicContact CZ-CG2 3.44Å; F137-T458 VanDerWaalsContact CZ-CG2 3.44Å; P454-T458 WeakPolarHBondContact O-CB 3.41Å; P454-T458 PolarHBondContact O-N 2.84Å; P454-T458 PolarHBondContact O-OG1 3.46Å; V455-T458 PolarHBondContact O-N 2.88Å; V455-T458 VanDerWaalsContact O-N 3.11Å
459L61.6Low70.1Confident8 Ų832.3 Ų32.34%0.04217%0.168CC..Hα-helixtrans-74.1-39.5172.6-56.7173.5000112.6F137 F138 F140 L418 V423 V455 L456 W457F137-L459 HydrophobicContact CD1-CD2 3.8Å; F137-L459 HydrophobicContact CE1-CD2 3.54Å; F138-L459 HydrophobicContact CD2-CD2 4.02Å; F140-L459 HydrophobicContact CD2-CD1 4.49Å; F140-L459 HydrophobicContact CD2-CD2 3.68Å; F140-L459 HydrophobicContact CE2-CD1 3.97Å; F140-L459 HydrophobicContact CE2-CD2 3.99Å; F140-L459 HydrophobicContact CG-CD2 4.48Å; L418-L459 HydrophobicContact CD2-CD1 4.06Å; V423-L459 HydrophobicContact CG1-CB 4.37Å; V423-L459 HydrophobicContact CG1-CD1 3.95Å; V423-L459 HydrophobicContact CG2-CD1 4.27Å; V455-L459 WeakPolarHBondContact O-CG 3.32Å; V455-L459 PolarHBondContact O-N 2.96Å; V455-L459 VanDerWaalsContact O-N 3.11Å; L456-L459 WeakPolarHBondContact O-CB 3.46Å; L456-L459 PolarHBondContact O-N 2.99Å; W457-L459 VanDerWaalsContact C-N 3.25Å; W457-L459 PolarHBondContact O-N 2.85Å
460V73.3Confident70.2Confident12 Ų1238.3 Ų38.37%0.07319%0.192CC..Hα-helixtrans-93.1-40-167.6166.60000113.8L426 L427 I430 L456 W457 P462 F463 I464L426-V460 HydrophobicContact CD2-CG2 3.94Å; L427-V460 HydrophobicContact CD2-CB 4.37Å; L427-V460 HydrophobicContact CD2-CG2 3.81Å; I430-V460 HydrophobicContact CD1-CG1 3.47Å; I430-V460 VanDerWaalsContact CD1-CG1 3.47Å; I430-V460 HydrophobicContact CD1-CG2 4.38Å; L456-V460 HydrophobicContact CD1-CG2 3.96Å; L456-V460 HydrophobicContact CG-CG2 4.38Å; L456-V460 WeakPolarHBondContact O-CB 3.44Å; L456-V460 VanDerWaalsContact O-CG2 3.32Å; L456-V460 WeakPolarHBondContact O-CG2 3.47Å; L456-V460 PolarHBondContact O-N 3.11Å; W457-V460 PolarHBondContact O-N 2.82Å; V460-P462 VanDerWaalsContact C-N 3.33Å; V460-P462 VanDerWaalsContact O-N 3.17Å; V460-F463 WeakPolarHBondContact O-CB 3.43Å; V460-F463 PolarHBondContact O-N 2.95Å; V460-I464 HydrophobicContact CG1-CD1 3.66Å; V460-I464 HydrophobicContact CG1-CG1 4.36Å
461S68.9Low70.9Confident23 Ų2338.3 Ų38.316%0.16119%0.189CC..G310 helixtrans-55.1-30.5-174.858.90000116.7W457 F463 I464W457-S461 VanDerWaalsContact CE2-CB 3.46Å; W457-S461 WeakPolarHBondContact O-CB 3.43Å; W457-S461 PolarHBondContact O-N 2.76Å; W457-S461 PolarHBondContact O-OG 2.77Å; S461-F463 PolarHBondContact O-N 2.81Å; S461-I464 PolarHBondContact O-N 3.08Å
462P66.9Low72.1Confident61 Ų6134.6 Ų34.640%0.39618%0.176SC..G310 helixtrans-66.9-15.6175.8-22.536.3000114.3I147 V460I147-P462 HydrophobicContact CD1-CB 4.02Å; I147-P462 HydrophobicContact CG2-CB 3.7Å; I147-P462 WeakPolarHBondContact CG2-O 3.37Å; V460-P462 VanDerWaalsContact C-N 3.33Å; V460-P462 VanDerWaalsContact O-N 3.17Å
463F65.3Low73.1Confident38 Ų3836.5 Ų36.517%0.16719%0.186CC..G310 helixtrans-90.3-15.8175.6-69.3-95.2000113.7T143 I147 L427 I430 E431 V460 S461T143-F463 HydrophobicContact CG2-CE2 4.19Å; T143-F463 HydrophobicContact CG2-CZ 3.63Å; I147-F463 HydrophobicContact CD1-CD2 3.78Å; I147-F463 HydrophobicContact CD1-CE1 4.13Å; I147-F463 HydrophobicContact CD1-CE2 3.12Å; I147-F463 HydrophobicContact CD1-CZ 3.33Å; I147-F463 HydrophobicContact CG1-CE1 4.16Å; I147-F463 HydrophobicContact CG1-CE2 4.04Å; I147-F463 HydrophobicContact CG1-CZ 3.79Å; L427-F463 HydrophobicContact CB-CE1 4.41Å; L427-F463 HydrophobicContact CB-CE2 4Å; L427-F463 HydrophobicContact CB-CZ 3.94Å; L427-F463 HydrophobicContact CD1-CE2 3.72Å; L427-F463 HydrophobicContact CD1-CZ 4.09Å; L427-F463 HydrophobicContact CD2-CD2 3.68Å; L427-F463 HydrophobicContact CD2-CE2 3.62Å; L427-F463 HydrophobicContact CD2-CZ 4.42Å; L427-F463 HydrophobicContact CG-CD2 4.46Å; L427-F463 HydrophobicContact CG-CE2 3.95Å; L427-F463 HydrophobicContact CG-CZ 4.35Å; I430-F463 HydrophobicContact CG2-CB 3.77Å; E431-F463 HydrophobicContact CB-CD1 4.33Å; V460-F463 WeakPolarHBondContact O-CB 3.43Å; V460-F463 PolarHBondContact O-N 2.95Å; S461-F463 PolarHBondContact O-N 2.81Å
464I75.5Confident73.6Confident10 Ų1037.4 Ų37.45%0.05119%0.19CC..SBendtrans-92122.6-174.5-63.4163.7000109.2I430 W457 V460 S461 T468 R469 F472I430-I464 HydrophobicContact CG2-CG1 4.38Å; W457-I464 HydrophobicContact CH2-CD1 4.14Å; W457-I464 HydrophobicContact CZ3-CD1 4.03Å; V460-I464 HydrophobicContact CG1-CD1 3.66Å; V460-I464 HydrophobicContact CG1-CG1 4.36Å; S461-I464 PolarHBondContact O-N 3.08Å; I464-T468 HydrophobicContact CG2-CG2 3.73Å; I464-R469 HydrophobicContact CG2-CB 4.07Å; I464-R469 PolarHBondContact O-NH2 2.86Å; I464-F472 HydrophobicContact CD1-CE2 3.55Å; I464-F472 HydrophobicContact CD1-CZ 3.78Å; I464-F472 HydrophobicContact CG1-CZ 4.37Å; I464-F472 HydrophobicContact CG2-CE1 4.45Å; I464-F472 HydrophobicContact CG2-CE2 4.41Å; I464-F472 HydrophobicContact CG2-CZ 3.96Å
465D72.3Confident74.5Confident62 Ų6237.3 Ų37.333%0.33219%0.188SC..  trans-66.1161.1178.7109.1-82.5000112.3N467 T468 R469D465-N467 VanDerWaalsContact C-N 3.32Å; D465-N467 PolarHBondContact O-N 3.02Å; D465-N467 WeakPolarHBondContact OD2-CB 3.41Å; D465-N467 PolarHBondContact OD2-N 2.82Å; D465-T468 PolarHBondContact O-N 3.17Å; D465-T468 WeakPolarHBondContact OD1-CB 3.23Å; D465-T468 PolarHBondContact OD1-N 3.29Å; D465-T468 PolarHBondContact OD1-OG1 3.44Å; D465-R469 WeakPolarHBondContact O-CB 3.27Å; D465-R469 PolarHBondContact O-N 2.98Å
466E71.2Confident75.3Confident63 Ų6338.4 Ų38.429%0.29420%0.198SC..Hα-helixtrans-64.4-34.9-175.8-167.754.8-132.900113R469 K470E466-R469 IonicContact OE1-NH1 3.4Å; E466-R469 IonicContact OE2-CZ 2.79Å; E466-R469 IonicContact OE2-NH1 3.34Å; E466-R469 PolarHBondContact OE2-NH1 3.23Å; E466-R469 IonicContact OE2-NH2 2.77Å; E466-K470 WeakPolarHBondContact O-CD 3.4Å; E466-K470 WeakPolarHBondContact O-CG 3.25Å; E466-K470 PolarHBondContact O-N 2.81Å; E466-K470 VanDerWaalsContact OE1-CE 3.26Å; E466-K470 WeakPolarHBondContact OE1-CE 3.27Å; E466-K470 IonicContact OE1-NZ 2.91Å
467N75.6Confident75.5Confident66 Ų6639.8 Ų39.835%0.35322%0.215SC..Hα-helixtrans-71.9-42.2176.7-171.144.9000111.4E439 D465 K470 K471E439-N467 PolarHBondContact OE1-ND2 3.47Å; E439-N467 PolarHBondContact OE2-ND2 2.93Å; D465-N467 VanDerWaalsContact C-N 3.32Å; D465-N467 PolarHBondContact O-N 3.02Å; D465-N467 WeakPolarHBondContact OD2-CB 3.41Å; D465-N467 PolarHBondContact OD2-N 2.82Å; N467-K470 PolarHBondContact O-N 2.87Å; N467-K471 PolarHBondContact ND2-NZ 3.43Å; N467-K471 WeakPolarHBondContact O-CG 3.42Å
468T81.1Confident76Confident17 Ų1744.3 Ų44.310%0.10424%0.24CC..Hα-helixtrans-64.2-42.6175.8-65.70000111.3L441 I464 D465 K470 K471 F472L441-T468 HydrophobicContact CD2-CG2 3.96Å; I464-T468 HydrophobicContact CG2-CG2 3.73Å; D465-T468 PolarHBondContact O-N 3.17Å; D465-T468 WeakPolarHBondContact OD1-CB 3.23Å; D465-T468 PolarHBondContact OD1-N 3.29Å; D465-T468 PolarHBondContact OD1-OG1 3.44Å; T468-K470 VanDerWaalsContact C-N 3.31Å; T468-K470 PolarHBondContact O-N 2.9Å; T468-K471 WeakPolarHBondContact O-CB 3.45Å; T468-K471 PolarHBondContact O-N 2.89Å; T468-F472 HydrophobicContact CG2-CE1 3.58Å; T468-F472 HydrophobicContact CG2-CZ 4.05Å; T468-F472 WeakPolarHBondContact O-CD1 3.44Å; T468-F472 VanDerWaalsContact O-CE1 3.27Å; T468-F472 WeakPolarHBondContact O-CE1 3.46Å
469R79.4Confident76.9Confident50 Ų5045.9 Ų45.919%0.18925%0.247CC..Hα-helixtrans-58.9-39177.3-162.1-177.8-52.7126.519.6113D64 W457 I464 D465 E466 K471 F472D64-R469 VanDerWaalsContact O-CD 3.32Å; D64-R469 WeakPolarHBondContact O-CD 3.38Å; W457-R469 HydrophobicContact CH2-CG 4.2Å; W457-R469 HydrophobicContact CZ2-CG 4.14Å; I464-R469 HydrophobicContact CG2-CB 4.07Å; I464-R469 PolarHBondContact O-NH2 2.86Å; D465-R469 WeakPolarHBondContact O-CB 3.27Å; D465-R469 PolarHBondContact O-N 2.98Å; E466-R469 IonicContact OE1-NH1 3.4Å; E466-R469 IonicContact OE2-CZ 2.79Å; E466-R469 IonicContact OE2-NH1 3.34Å; E466-R469 PolarHBondContact OE2-NH1 3.23Å; E466-R469 IonicContact OE2-NH2 2.77Å; R469-K471 PolarHBondContact O-N 3.06Å; R469-K471 VanDerWaalsContact O-N 3.16Å; R469-F472 WeakPolarHBondContact O-CB 3.47Å; R469-F472 PolarHBondContact O-N 3.41Å
470K82.9Confident78.1Confident139 Ų13945.8 Ų45.860%0.60425%0.246SC*.THydrogen-bonded Turntrans-64.7-15.9177.2-73.9168.4-175.3171.30114.3E466 N467 T468 F472E466-K470 WeakPolarHBondContact O-CD 3.4Å; E466-K470 WeakPolarHBondContact O-CG 3.25Å; E466-K470 PolarHBondContact O-N 2.81Å; E466-K470 VanDerWaalsContact OE1-CE 3.26Å; E466-K470 WeakPolarHBondContact OE1-CE 3.27Å; E466-K470 IonicContact OE1-NZ 2.91Å; N467-K470 PolarHBondContact O-N 2.87Å; T468-K470 VanDerWaalsContact C-N 3.31Å; T468-K470 PolarHBondContact O-N 2.9Å; K470-F472 VanDerWaalsContact C-N 3.32Å
471K89.4Confident78.8Confident31 Ų3149.4 Ų49.414%0.13526%0.262CS..THydrogen-bonded Turntrans-87.1-3.1176-57.2168.7-172.1175.20112.4E439 L441 R443 L444 N467 T468 R469E439-K471 IonicContact OE1-NZ 3.53Å; E439-K471 IonicContact OE2-NZ 3.97Å; E439-K471 PolarHBondContact OE2-NZ 2.85Å; L441-K471 VanDerWaalsContact O-CD 3.26Å; L441-K471 WeakPolarHBondContact O-CD 3.27Å; L441-K471 PolarHBondContact O-NZ 2.86Å; L441-K471 VanDerWaalsContact O-NZ 3.09Å; R443-K471 WeakPolarHBondContact CA-O 3.42Å; L444-K471 PolarHBondContact N-O 2.92Å; N467-K471 PolarHBondContact ND2-NZ 3.43Å; N467-K471 WeakPolarHBondContact O-CG 3.42Å; T468-K471 WeakPolarHBondContact O-CB 3.45Å; T468-K471 PolarHBondContact O-N 2.89Å; R469-K471 PolarHBondContact O-N 3.06Å; R469-K471 VanDerWaalsContact O-N 3.16Å
472F89.2Confident79.4Confident31 Ų3149.6 Ų49.614%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-92.2126.4-175.6-69.624000110.4L441 L444 I446 W457 I464 T468 R469 K470L441-F472 HydrophobicContact CD2-CD1 4.47Å; L441-F472 HydrophobicContact CD2-CE1 3.81Å; L444-F472 HydrophobicContact CB-CD1 3.58Å; L444-F472 HydrophobicContact CB-CE1 3.88Å; L444-F472 HydrophobicContact CB-CG 4.02Å; L444-F472 HydrophobicContact CD2-CD1 3.8Å; L444-F472 HydrophobicContact CD2-CD2 3.62Å; L444-F472 HydrophobicContact CD2-CE1 3.59Å; L444-F472 HydrophobicContact CD2-CE2 3.38Å; L444-F472 HydrophobicContact CD2-CG 3.83Å; L444-F472 HydrophobicContact CD2-CZ 3.39Å; L444-F472 HydrophobicContact CG-CD1 4.33Å; L444-F472 HydrophobicContact CG-CE1 4.37Å; L444-F472 HydrophobicContact CG-CG 4.49Å; L444-F472 WeakPolarHBondContact O-CA 3.45Å; I446-F472 HydrophobicContact CD1-CD2 4.12Å; W457-F472 AromaticContact CH2-CD2 3.55Å; W457-F472 HydrophobicContact CH2-CD2 3.55Å; W457-F472 AromaticContact CH2-CE2 3.79Å; W457-F472 HydrophobicContact CH2-CE2 3.79Å; W457-F472 AromaticContact CZ3-CD2 3.58Å; W457-F472 HydrophobicContact CZ3-CD2 3.58Å; W457-F472 AromaticContact CZ3-CE2 3.63Å; W457-F472 HydrophobicContact CZ3-CE2 3.63Å; I464-F472 HydrophobicContact CD1-CE2 3.55Å; I464-F472 HydrophobicContact CD1-CZ 3.78Å; I464-F472 HydrophobicContact CG1-CZ 4.37Å; I464-F472 HydrophobicContact CG2-CE1 4.45Å; I464-F472 HydrophobicContact CG2-CE2 4.41Å; I464-F472 HydrophobicContact CG2-CZ 3.96Å; T468-F472 HydrophobicContact CG2-CE1 3.58Å; T468-F472 HydrophobicContact CG2-CZ 4.05Å; T468-F472 WeakPolarHBondContact O-CD1 3.44Å; T468-F472 VanDerWaalsContact O-CE1 3.27Å; T468-F472 WeakPolarHBondContact O-CE1 3.46Å; R469-F472 WeakPolarHBondContact O-CB 3.47Å; R469-F472 PolarHBondContact O-N 3.41Å; K470-F472 VanDerWaalsContact C-N 3.32Å
473L86.1Confident80.1Confident43 Ų4352.6 Ų52.623%0.22529%0.287CS..EExtended strand (participates in β ladder)trans-115.5125.9168.6-59.298.8000107.9R443 L444 L445 I446 Y475 Y489R443-L473 HydrophobicContact CG-CD1 3.51Å; L444-L473 PolarHBondContact O-N 3.02Å; L445-L473 HydrophobicContact CD2-CB 4.29Å; L445-L473 HydrophobicContact CD2-CD1 4.19Å; I446-L473 PolarHBondContact N-O 2.83Å; L473-Y475 HydrophobicContact CB-CD2 4.46Å; L473-Y475 HydrophobicContact CB-CE2 3.55Å; L473-Y489 HydrophobicContact CD2-CE2 3.83Å; L473-Y489 WeakPolarHBondContact CD2-OH 3.4Å
474I85.1Confident80.9Confident29 Ų2952.5 Ų52.515%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-120.7124.3-171.8-47.4-166.4000109.3P66 I446 A449 F453 W457P66-I474 HydrophobicContact CB-CD1 4.28Å; P66-I474 HydrophobicContact CG-CD1 3.73Å; P66-I474 HydrophobicContact CG-CG1 4.32Å; I446-I474 HydrophobicContact CB-CB 4.43Å; I446-I474 HydrophobicContact CB-CG1 4.2Å; I446-I474 HydrophobicContact CB-CG2 4.19Å; I446-I474 HydrophobicContact CD1-CD1 4.02Å; I446-I474 HydrophobicContact CD1-CG1 4.16Å; I446-I474 HydrophobicContact CG1-CG1 4.48Å; I446-I474 HydrophobicContact CG2-CG2 4.12Å; I446-I474 WeakPolarHBondContact O-CA 3.42Å; A449-I474 HydrophobicContact CB-CG2 4.16Å; F453-I474 HydrophobicContact CD1-CG2 4.49Å; F453-I474 HydrophobicContact CE1-CD1 3.79Å; F453-I474 HydrophobicContact CE1-CG2 3.9Å; F453-I474 HydrophobicContact CZ-CD1 3.73Å; F453-I474 HydrophobicContact CZ-CG2 4.37Å; W457-I474 HydrophobicContact CZ3-CD1 4.44Å
475Y81.4Confident81.5Confident18 Ų1852 Ų527%0.07129%0.294CS..  trans-121.5137.4-172.4-61.2-85.4000110.1L445 I446 L447 R448 A449 L473 D479 G484L445-Y475 HydrophobicContact CD2-CE2 4.15Å; I446-Y475 PolarHBondContact O-N 3.44Å; L447-Y475 HydrophobicContact CD2-CD2 3.61Å; L447-Y475 HydrophobicContact CD2-CE2 4.27Å; L447-Y475 HydrophobicContact CD2-CG 4.22Å; R448-Y475 PolarHBondContact N-O 2.89Å; A449-Y475 WeakPolarHBondContact CB-O 3.36Å; A449-Y475 PolarHBondContact N-O 2.87Å; L473-Y475 HydrophobicContact CB-CD2 4.46Å; L473-Y475 HydrophobicContact CB-CE2 3.55Å; Y475-D479 WeakPolarHBondContact CA-OD2 3.39Å; Y475-D479 VanDerWaalsContact CB-OD1 3.31Å; Y475-D479 WeakPolarHBondContact CB-OD1 3.42Å; Y475-G484 WeakPolarHBondContact CE1-O 3.21Å; Y475-G484 PolarHBondContact OH-O 2.97Å
476A74.6Confident82.5Confident33 Ų3349.2 Ų49.227%0.27328%0.279SS..  trans-128.9123.8-177.700000112.1L68 D479L68-A476 HydrophobicContact CD1-CB 4.2Å; L68-A476 HydrophobicContact CD2-CB 3.54Å; A476-D479 VanDerWaalsContact N-CG 3.31Å; A476-D479 PolarHBondContact N-OD1 3Å; A476-D479 PolarHBondContact N-OD2 3.47Å
477G74.9Confident83.5Confident42 Ų4247.8 Ų47.843%0.43328%0.275SS..THydrogen-bonded Turntrans75.5-133.2-16600000110.4Y480G477-Y480 WeakPolarHBondContact O-CD1 3.32Å; G477-Y480 WeakPolarHBondContact O-CE1 3.28Å
478N80.8Confident84.3Confident108 Ų10848.5 Ų48.558%0.57828%0.279SS*.THydrogen-bonded Turntrans-109.413.3-172.2-62-12.9000113.8Y480 Q481N478-Y480 PolarHBondContact O-N 3.23Å; N478-Q481 PolarHBondContact O-N 3.44Å; N478-Q481 VanDerWaalsContact O-N 3.13Å
479D80.3Confident84.9Confident79 Ų7950 Ų5042%0.42228%0.283SS..G310 helixtrans-56.6-30174.655.9-14.6000113.1Y475 A476 Q481 G482Y475-D479 WeakPolarHBondContact CA-OD2 3.39Å; Y475-D479 VanDerWaalsContact CB-OD1 3.31Å; Y475-D479 WeakPolarHBondContact CB-OD1 3.42Å; A476-D479 VanDerWaalsContact N-CG 3.31Å; A476-D479 PolarHBondContact N-OD1 3Å; A476-D479 PolarHBondContact N-OD2 3.47Å; D479-Q481 PolarHBondContact O-N 3.2Å; D479-G482 PolarHBondContact O-N 3.18Å
480Y87Confident85.7Confident6 Ų647.6 Ų47.62%0.02427%0.274CS..G310 helixtrans-62.5-15.4174.772.3-89.7000115.6L447 R448 G477 N478 G485 L486 L499L447-Y480 HydrophobicContact CD1-CD2 4.31Å; L447-Y480 HydrophobicContact CD2-CG 4.29Å; R448-Y480 HydrophobicContact CG-CD1 4.18Å; R448-Y480 HydrophobicContact CG-CE1 3.6Å; G477-Y480 WeakPolarHBondContact O-CD1 3.32Å; G477-Y480 WeakPolarHBondContact O-CE1 3.28Å; N478-Y480 PolarHBondContact O-N 3.23Å; Y480-G485 CarbonylContact O-C 3.51Å; Y480-G485 VanDerWaalsContact O-CA 3.31Å; Y480-G485 WeakPolarHBondContact O-CA 3.4Å; Y480-L486 HydrophobicContact CD2-CD1 3.53Å; Y480-L486 HydrophobicContact CD2-CG 3.92Å; Y480-L486 HydrophobicContact CE2-CD1 3.99Å; Y480-L486 PolarHBondContact O-N 2.81Å; Y480-L499 HydrophobicContact CE2-CB 4.01Å; Y480-L499 HydrophobicContact CE2-CD2 4.12Å; Y480-L499 WeakPolarHBondContact CE2-O 3.37Å
481Q86.8Confident86.2Confident89 Ų8943.7 Ų43.742%0.41626%0.259SS..G310 helixtrans-85.8-17.1-177.7-63.4-175.9-38.600113.1N478 D479 L499N478-Q481 PolarHBondContact O-N 3.44Å; N478-Q481 VanDerWaalsContact O-N 3.13Å; D479-Q481 PolarHBondContact O-N 3.2Å; Q481-L499 PolarHBondContact NE2-O 3.28Å
482G82.5Confident86.3Confident26 Ų2649.1 Ų49.127%0.26828%0.283SS..SBendtrans-90.7-176.4-17800000114.5D479 G485 V487D479-G482 PolarHBondContact O-N 3.18Å; G482-G485 WeakPolarHBondContact O-CA 3.47Å; G482-G485 PolarHBondContact O-N 2.78Å; G482-V487 WeakPolarHBondContact O-CG2 3.3Å
483P80.8Confident86.5Confident124 Ų12455.7 Ų55.781%0.80531%0.314SS*.THydrogen-bonded Turntrans-56.1140.3167.5-21.433.5000111.2
484G82.1Confident86.9Confident36 Ų3654.5 Ų54.537%0.37131%0.308SS..THydrogen-bonded Turntrans79.6-0.2-16700000114.3Y475 D488Y475-G484 WeakPolarHBondContact CE1-O 3.21Å; Y475-G484 PolarHBondContact OH-O 2.97Å; G484-D488 WeakPolarHBondContact CA-OD2 3.21Å; G484-D488 PolarHBondContact N-OD2 3.12Å
485G87.8Confident87.4Confident0 Ų053.7 Ų53.70%030%0.304CS..SBendtrans-103.4-150178.900000113.8Y480 G482 V487 D488 Y489Y480-G485 CarbonylContact O-C 3.51Å; Y480-G485 VanDerWaalsContact O-CA 3.31Å; Y480-G485 WeakPolarHBondContact O-CA 3.4Å; G482-G485 WeakPolarHBondContact O-CA 3.47Å; G482-G485 PolarHBondContact O-N 2.78Å; G485-V487 VanDerWaalsContact C-N 3.3Å; G485-V487 PolarHBondContact O-N 2.83Å; G485-D488 PolarHBondContact O-N 3.29Å; G485-Y489 VanDerWaalsContact O-CD2 3.27Å; G485-Y489 WeakPolarHBondContact O-CD2 3.44Å
486L93.2Very high88.1Confident3 Ų352.8 Ų52.82%0.01630%0.3CS..G310 helixtrans-58.8-38-177.6-67.3179000113.3L407 L445 L447 Y480 D488 Y489 I490 I495 L499L407-L486 HydrophobicContact CD1-CD2 3.98Å; L445-L486 HydrophobicContact CD1-CD2 3.96Å; L447-L486 HydrophobicContact CD1-CD1 3.89Å; L447-L486 HydrophobicContact CD1-CD2 3.95Å; L447-L486 HydrophobicContact CD1-CG 4.3Å; L447-L486 HydrophobicContact CD2-CD2 4.04Å; Y480-L486 HydrophobicContact CD2-CD1 3.53Å; Y480-L486 HydrophobicContact CD2-CG 3.92Å; Y480-L486 HydrophobicContact CE2-CD1 3.99Å; Y480-L486 PolarHBondContact O-N 2.81Å; L486-D488 PolarHBondContact O-N 3.1Å; L486-D488 VanDerWaalsContact O-N 3.16Å; L486-Y489 PolarHBondContact O-N 2.82Å; L486-I490 HydrophobicContact CD2-CD1 4.04Å; L486-I490 PolarHBondContact O-N 3.3Å; L486-I495 HydrophobicContact CB-CD1 4Å; L486-I495 HydrophobicContact CD1-CG2 4.15Å; L486-L499 HydrophobicContact CD1-CB 4.22Å; L486-L499 HydrophobicContact CD1-CD1 4Å
487V92.6Very high89Confident34 Ų3455 Ų5521%0.20631%0.307CS..G310 helixtrans-62.4-24-174.6-64.80000113.6R348 G482 G485 Y489 K492 I495R348-V487 PolarHBondContact NE-O 3.12Å; R348-V487 PolarHBondContact NH2-O 2.97Å; G482-V487 WeakPolarHBondContact O-CG2 3.3Å; G485-V487 VanDerWaalsContact C-N 3.3Å; G485-V487 PolarHBondContact O-N 2.83Å; V487-Y489 VanDerWaalsContact C-N 3.33Å; V487-K492 HydrophobicContact CG1-CG 4.27Å; V487-I495 HydrophobicContact CG1-CD1 3.83Å
488D92.9Very high89.8Confident81 Ų8155 Ų5543%0.43330%0.296SS..G310 helixtrans-80.1-16.7178-69.811.4000112.3R348 G484 G485 L486R348-D488 WeakPolarHBondContact CD-O 3.48Å; G484-D488 WeakPolarHBondContact CA-OD2 3.21Å; G484-D488 PolarHBondContact N-OD2 3.12Å; G485-D488 PolarHBondContact O-N 3.29Å; L486-D488 PolarHBondContact O-N 3.1Å; L486-D488 VanDerWaalsContact O-N 3.16Å
489Y93.4Very high90.4Very high47 Ų4750 Ų5018%0.18427%0.269CS..THydrogen-bonded Turntrans-119.4-29.4-174.7-53.5-51.2000113.5D347 R348 L445 L473 G485 L486 V487D347-Y489 WeakPolarHBondContact CB-O 3.39Å; R348-Y489 WeakPolarHBondContact CB-O 3.36Å; R348-Y489 WeakPolarHBondContact CG-O 3.41Å; R348-Y489 PolarHBondContact N-O 3.02Å; L445-Y489 HydrophobicContact CD2-CD2 3.82Å; L445-Y489 HydrophobicContact CD2-CE2 4.26Å; L473-Y489 HydrophobicContact CD2-CE2 3.83Å; L473-Y489 WeakPolarHBondContact CD2-OH 3.4Å; G485-Y489 VanDerWaalsContact O-CD2 3.27Å; G485-Y489 WeakPolarHBondContact O-CD2 3.44Å; L486-Y489 PolarHBondContact O-N 2.82Å; V487-Y489 VanDerWaalsContact C-N 3.33Å
490I95.3Very high90.8Very high0 Ų049.3 Ų49.30%028%0.28CS..SBendtrans-122.8139-177.3-54.7175000107.9R348 L353 L407 L445 L486 I494 I495R348-I490 PolarHBondContact NH2-O 2.9Å; L353-I490 HydrophobicContact CD1-CD1 4.28Å; L353-I490 HydrophobicContact CD2-CD1 3.83Å; L353-I490 HydrophobicContact CD2-CG1 4.37Å; L353-I490 HydrophobicContact CD2-CG2 4.37Å; L407-I490 HydrophobicContact CD1-CD1 4.05Å; L445-I490 HydrophobicContact CD1-CD1 4.06Å; L486-I490 HydrophobicContact CD2-CD1 4.04Å; L486-I490 PolarHBondContact O-N 3.3Å; I490-I494 HydrophobicContact CG2-CB 3.81Å; I490-I494 HydrophobicContact CG2-CG2 3.61Å; I490-I495 HydrophobicContact CB-CG1 4.16Å; I490-I495 HydrophobicContact CG2-CG1 3.92Å
491D94.3Very high91Very high57 Ų5750 Ų5031%0.30529%0.29SS..  trans-65.9141.5172.6-77-64000111R348 E493 I494 I495R348-D491 IonicContact CZ-OD1 3.1Å; R348-D491 VanDerWaalsContact CZ-OD1 3.23Å; R348-D491 IonicContact NH1-OD1 3.85Å; R348-D491 PolarHBondContact NH1-OD1 3.08Å; R348-D491 IonicContact NH1-OD2 2.8Å; R348-D491 IonicContact NH2-OD1 2.79Å; R348-D491 PolarHBondContact NH2-OD1 3.12Å; D491-E493 PolarHBondContact O-N 3.43Å; D491-E493 VanDerWaalsContact O-N 3.16Å; D491-I494 HydrophobicContact CB-CD1 4.19Å; D491-I494 HydrophobicContact CB-CG1 4.37Å; D491-I494 WeakPolarHBondContact O-CA 3.42Å; D491-I494 WeakPolarHBondContact O-CB 3.26Å; D491-I494 PolarHBondContact O-N 3.36Å; D491-I495 PolarHBondContact O-N 3.22Å
492K91.9Very high91.1Very high146 Ų14654.6 Ų54.664%0.63531%0.311SS*.THydrogen-bonded Turntrans-57.1-36.3-173.8-69.8-174.9175.5-174.60113V487 I494 I495V487-K492 HydrophobicContact CG1-CG 4.27Å; K492-I494 PolarHBondContact O-N 2.99Å; K492-I495 PolarHBondContact O-N 3.28Å
493E93.7Very high91.7Very high169 Ų16954 Ų5479%0.7930%0.302SS*.THydrogen-bonded Turntrans-66.1-16.9176.5-63.5168.4-152.700113.4D491 C503D491-E493 PolarHBondContact O-N 3.43Å; D491-E493 VanDerWaalsContact O-N 3.16Å; E493-C503 VanDerWaalsContact O-CB 3.31Å; E493-C503 WeakPolarHBondContact O-CB 3.45Å
494I94.8Very high92.2Very high18 Ų1854 Ų549%0.09229%0.293CS..THydrogen-bonded Turntrans-101.9-18.5179.2-64.2176.3000111.5H344 H345 L353 I490 D491 K492 P496 C503H344-I494 PolarHBondContact CD2-O 2.72Å; H344-I494 PolarHBondContact NE2-O 3.38Å; H345-I494 HydrophobicContact CB-CD1 4.06Å; H345-I494 HydrophobicContact CB-CG1 4.31Å; H345-I494 HydrophobicContact CB-CG2 3.81Å; L353-I494 HydrophobicContact CD2-CG2 4.29Å; I490-I494 HydrophobicContact CG2-CB 3.81Å; I490-I494 HydrophobicContact CG2-CG2 3.61Å; D491-I494 HydrophobicContact CB-CD1 4.19Å; D491-I494 HydrophobicContact CB-CG1 4.37Å; D491-I494 WeakPolarHBondContact O-CA 3.42Å; D491-I494 WeakPolarHBondContact O-CB 3.26Å; D491-I494 PolarHBondContact O-N 3.36Å; K492-I494 PolarHBondContact O-N 2.99Å; I494-P496 WeakPolarHBondContact O-CD 3.43Å; I494-C503 WeakPolarHBondContact O-CB 3.47Å
495I95.4Very high92.6Very high11 Ų1153.2 Ų53.26%0.05628%0.282CS..SBendtrans-62.8126.7180-64177.3000109.4L486 V487 I490 D491 K492 L499 G501 E502 C503L486-I495 HydrophobicContact CB-CD1 4Å; L486-I495 HydrophobicContact CD1-CG2 4.15Å; V487-I495 HydrophobicContact CG1-CD1 3.83Å; I490-I495 HydrophobicContact CB-CG1 4.16Å; I490-I495 HydrophobicContact CG2-CG1 3.92Å; D491-I495 PolarHBondContact O-N 3.22Å; K492-I495 PolarHBondContact O-N 3.28Å; I495-L499 HydrophobicContact CG2-CB 4.2Å; I495-G501 WeakPolarHBondContact O-CA 3.43Å; I495-E502 PolarHBondContact O-N 2.85Å; I495-C503 WeakPolarHBondContact O-CB 3.25Å; I495-C503 PolarHBondContact O-N 3.14Å; I495-C503 VanDerWaalsContact O-N 3.1Å
496P95.5Very high92.6Very high0 Ų060.7 Ų60.70%032%0.317CS..BIsolated β-bridgetrans-54.8141.6177.1-29.635.9000114.5I355 I494 F498 L499 G500 G501 C503 C505I355-P496 HydrophobicContact CD1-CG 3.64Å; I494-P496 WeakPolarHBondContact O-CD 3.43Å; P496-F498 VanDerWaalsContact C-N 3.34Å; P496-F498 HydrophobicContact CB-CD1 3.63Å; P496-F498 HydrophobicContact CB-CE1 3.44Å; P496-F498 VanDerWaalsContact CB-CE1 3.44Å; P496-F498 HydrophobicContact CB-CG 4.42Å; P496-F498 HydrophobicContact CB-CZ 4.09Å; P496-F498 HydrophobicContact CG-CE1 4.07Å; P496-F498 HydrophobicContact CG-CZ 4.42Å; P496-F498 PolarHBondContact O-N 3.34Å; P496-L499 HydrophobicContact CB-CB 4.49Å; P496-L499 HydrophobicContact CB-CD1 4.2Å; P496-L499 HydrophobicContact CB-CG 4.33Å; P496-L499 HydrophobicContact CG-CD1 4.05Å; P496-L499 WeakPolarHBondContact O-CA 3.32Å; P496-L499 PolarHBondContact O-N 3.38Å; P496-G500 PolarHBondContact O-N 2.84Å; P496-G501 PolarHBondContact O-N 2.82Å; P496-C503 CarbonylContact C-O 3.48Å; P496-C503 WeakPolarHBondContact CA-O 3.47Å; P496-C505 HydrophobicContact CB-CB 4.04Å; P496-C505 HydrophobicContact CG-CB 4.47Å
497D93.3Very high92.3Very high79 Ų7961 Ų6142%0.42232%0.319SS..G310 helixtrans-47.5-48170.652.47.6000113.8L499 G500 C503D497-L499 PolarHBondContact O-N 2.75Å; D497-L499 VanDerWaalsContact O-N 3.08Å; D497-G500 PolarHBondContact O-N 2.96Å; D497-C503 PolarHBondContact N-O 2.85Å
498F91.8Very high92Very high43 Ų4361.6 Ų61.619%0.18932%0.323CS..G310 helixtrans-67.1-9178.973.6-92.9000114.3I355 R357 D409 P496 C505I355-F498 HydrophobicContact CG2-CZ 4.22Å; R357-F498 HydrophobicContact CG-CE2 4.19Å; R357-F498 HydrophobicContact CG-CZ 3.94Å; D409-F498 HydrophobicContact CB-CE2 4.29Å; P496-F498 VanDerWaalsContact C-N 3.34Å; P496-F498 HydrophobicContact CB-CD1 3.63Å; P496-F498 HydrophobicContact CB-CE1 3.44Å; P496-F498 VanDerWaalsContact CB-CE1 3.44Å; P496-F498 HydrophobicContact CB-CG 4.42Å; P496-F498 HydrophobicContact CB-CZ 4.09Å; P496-F498 HydrophobicContact CG-CE1 4.07Å; P496-F498 HydrophobicContact CG-CZ 4.42Å; P496-F498 PolarHBondContact O-N 3.34Å; F498-C505 HydrophobicContact CD1-CB 4.19Å; F498-C505 HydrophobicContact CE1-CB 3.93Å
499L93.1Very high91.4Very high3 Ų364.3 Ų64.32%0.01633%0.333CS..G310 helixtrans-105.26173.3-62.2174.2000112.4L407 L447 Y480 Q481 L486 I495 P496 D497L407-L499 HydrophobicContact CD1-CD1 3.95Å; L407-L499 HydrophobicContact CD2-CD1 4.1Å; L447-L499 HydrophobicContact CD1-CD1 3.6Å; L447-L499 HydrophobicContact CD1-CD2 3.77Å; L447-L499 HydrophobicContact CD1-CG 4.31Å; Y480-L499 HydrophobicContact CE2-CB 4.01Å; Y480-L499 HydrophobicContact CE2-CD2 4.12Å; Y480-L499 WeakPolarHBondContact CE2-O 3.37Å; Q481-L499 PolarHBondContact NE2-O 3.28Å; L486-L499 HydrophobicContact CD1-CB 4.22Å; L486-L499 HydrophobicContact CD1-CD1 4Å; I495-L499 HydrophobicContact CG2-CB 4.2Å; P496-L499 HydrophobicContact CB-CB 4.49Å; P496-L499 HydrophobicContact CB-CD1 4.2Å; P496-L499 HydrophobicContact CB-CG 4.33Å; P496-L499 HydrophobicContact CG-CD1 4.05Å; P496-L499 WeakPolarHBondContact O-CA 3.32Å; P496-L499 PolarHBondContact O-N 3.38Å; D497-L499 PolarHBondContact O-N 2.75Å; D497-L499 VanDerWaalsContact O-N 3.08Å
500G88.6Confident91Very high63 Ų6363.3 Ų63.365%0.64934%0.337SS*.THydrogen-bonded Turntrans8619.2-178.600000114.5P496 D497P496-G500 PolarHBondContact O-N 2.84Å; D497-G500 PolarHBondContact O-N 2.96Å
501G91.6Very high90.4Very high22 Ų2264.9 Ų64.923%0.22735%0.353CS..SBendtrans-91.2-165165.500000112.6I495 P496I495-G501 WeakPolarHBondContact O-CA 3.43Å; P496-G501 PolarHBondContact O-N 2.82Å
502E89.6Confident89.8Confident184 Ų18466.3 Ų66.386%0.8636%0.361SS*.SBendtrans-116.3-3.5179.3-64.3-179.6-178.200112.6I495 M504I495-E502 PolarHBondContact O-N 2.85Å; E502-M504 PolarHBondContact O-N 3.27Å
503C94.4Very high89.6Confident14 Ų1459.6 Ų59.610%0.09533%0.332CS..BIsolated β-bridgetrans-79.8119.8-179.3-164.10000110.7H344 E493 I494 I495 P496 D497 C505H344-C503 PolarHBondContact CE1-SG 3.22Å; E493-C503 VanDerWaalsContact O-CB 3.31Å; E493-C503 WeakPolarHBondContact O-CB 3.45Å; I494-C503 WeakPolarHBondContact O-CB 3.47Å; I495-C503 WeakPolarHBondContact O-CB 3.25Å; I495-C503 PolarHBondContact O-N 3.14Å; I495-C503 VanDerWaalsContact O-N 3.1Å; P496-C503 CarbonylContact C-O 3.48Å; P496-C503 WeakPolarHBondContact CA-O 3.47Å; D497-C503 PolarHBondContact N-O 2.85Å; C503-C505 PolarHBondContact O-N 2.94Å
504M92.1Very high89.2Confident123 Ų12353.5 Ų53.561%0.60631%0.307SS*.  trans-62.4130169.5-164.1177.78500109.3E502 E506E502-M504 PolarHBondContact O-N 3.27Å; M504-E506 WeakPolarHBondContact CE-OE1 3.4Å
505C89.6Confident88.5Confident20 Ų2056.4 Ų56.414%0.13532%0.319CS..  trans-106.6114.1-177-166.90000111.4P496 F498 C503 V507P496-C505 HydrophobicContact CB-CB 4.04Å; P496-C505 HydrophobicContact CG-CB 4.47Å; F498-C505 HydrophobicContact CD1-CB 4.19Å; F498-C505 HydrophobicContact CE1-CB 3.93Å; C503-C505 PolarHBondContact O-N 2.94Å; C505-V507 PolarHBondContact O-N 2.85Å; C505-V507 VanDerWaalsContact O-N 3.16Å
506E87.2Confident87.9Confident157 Ų15761.3 Ų61.373%0.73435%0.354SS*.  trans-75.97.4-179.4-59.5-72-17800113.8M504M504-E506 WeakPolarHBondContact CE-OE1 3.4Å
507V87.8Confident87.4Confident10 Ų1064.3 Ų64.36%0.06137%0.369CS..SBendtrans-73.2126.7178.3175.80000109.4I355 C505 E509I355-V507 HydrophobicContact CB-CG2 4.02Å; I355-V507 HydrophobicContact CG2-CG2 4.07Å; C505-V507 PolarHBondContact O-N 2.85Å; C505-V507 VanDerWaalsContact O-N 3.16Å; V507-E509 PolarHBondContact O-N 3.49Å
508P85.6Confident87.1Confident46 Ų4663 Ų6330%0.29936%0.358SS..  trans-53135179.5-27.234.6000112.5G510P508-G510 PolarHBondContact O-N 2.81Å
509E81.4Confident86.4Confident139 Ų13964.4 Ų64.465%0.6536%0.362SS*.  trans-66-17173.7-55.6-154118.500112.6R357 V507R357-E509 IonicContact NH1-OE1 3.76Å; V507-E509 PolarHBondContact O-N 3.49Å
510G84.1Confident85.2Confident26 Ų2667.2 Ų67.227%0.26838%0.379SS..  trans78.4-138.8-177.300000111.9T340 P508T340-G510 VanDerWaalsContact CG2-CA 3.48Å; P508-G510 PolarHBondContact O-N 2.81Å
511G83.1Confident83.6Confident32 Ų3268.4 Ų68.433%0.3338%0.376SS..BIsolated β-bridgetrans139.8-178.2-17500000111D362D362-G511 VanDerWaalsContact CB-O 3.28Å; D362-G511 WeakPolarHBondContact CB-O 3.33Å
512L82.4Confident81.8Confident88 Ų8873.1 Ų73.146%0.46139%0.392SS..PPolyproline II helixtrans-77129.5173.4-62.3176.7000109.6Y338 D362 P514Y338-L512 WeakPolarHBondContact CE1-O 3.44Å; D362-L512 HydrophobicContact CB-CD2 4.48Å; D362-L512 WeakPolarHBondContact OD2-CA 3.31Å; L512-P514 WeakPolarHBondContact O-CD 3.3Å
513V86.3Confident80.3Confident4 Ų469.5 Ų69.52%0.02438%0.375CS..PPolyproline II helixtrans-69.1125.2176179.40000108.6V334 Y338 D362 L366 A369 K515 M517 Y518V334-V513 HydrophobicContact CG1-CG1 3.77Å; V334-V513 HydrophobicContact CG1-CG2 4.33Å; Y338-V513 HydrophobicContact CD1-CG2 4.43Å; Y338-V513 HydrophobicContact CD2-CG2 4.26Å; Y338-V513 HydrophobicContact CG-CG2 3.91Å; D362-V513 HydrophobicContact CB-CG2 4.45Å; D362-V513 PolarHBondContact OD2-N 2.77Å; L366-V513 HydrophobicContact CD2-CG2 3.97Å; L366-V513 HydrophobicContact CG-CG2 4.08Å; A369-V513 HydrophobicContact CB-CG1 4.05Å; V513-K515 PolarHBondContact O-N 2.55Å; V513-M517 HydrophobicContact CG1-CB 4.27Å; V513-M517 HydrophobicContact CG1-SD 4.44Å; V513-Y518 HydrophobicContact CB-CE1 4.2Å; V513-Y518 HydrophobicContact CG1-CD1 4.41Å; V513-Y518 HydrophobicContact CG1-CE1 4.13Å
514P86.3Confident78.3Confident42 Ų4269.9 Ų69.927%0.27338%0.376SS..PPolyproline II helixtrans-56.7130.3177-26.634.2000111.2Y338 L512 S516 M517Y338-P514 HydrophobicContact CE2-CG 4.36Å; Y338-P514 WeakPolarHBondContact OH-CD 3.36Å; Y338-P514 VanDerWaalsContact OH-CG 3.23Å; Y338-P514 WeakPolarHBondContact OH-CG 3.33Å; L512-P514 WeakPolarHBondContact O-CD 3.3Å; P514-S516 PolarHBondContact O-N 3.29Å; P514-S516 VanDerWaalsContact O-N 3.12Å; P514-M517 HydrophobicContact CB-CG 4.31Å; P514-M517 HydrophobicContact CB-SD 4.26Å; P514-M517 HydrophobicContact CG-CE 4.1Å; P514-M517 HydrophobicContact CG-SD 4.04Å; P514-M517 WeakPolarHBondContact O-CA 3.48Å; P514-M517 VanDerWaalsContact O-CB 3.3Å; P514-M517 WeakPolarHBondContact O-CB 3.24Å; P514-M517 PolarHBondContact O-N 2.9Å
515K79.8Confident76Confident79 Ų7967.4 Ų67.434%0.34336%0.363SS..G310 helixtrans-63.2-19.6-179.7-73.9161.1156.2-93.70114.3V513 M517 Y518 G629 E630 S631V513-K515 PolarHBondContact O-N 2.55Å; K515-M517 PolarHBondContact O-N 3.04Å; K515-Y518 HydrophobicContact CG-CD2 4.19Å; K515-Y518 HydrophobicContact CG-CE1 4.15Å; K515-Y518 HydrophobicContact CG-CE2 3.8Å; K515-Y518 WeakPolarHBondContact O-CB 3.37Å; K515-Y518 PolarHBondContact O-N 2.77Å; K515-Y518 VanDerWaalsContact O-N 3.12Å; K515-G629 WeakPolarHBondContact CD-O 3.2Å; K515-G629 WeakPolarHBondContact CE-O 3.23Å; K515-G629 PolarHBondContact NZ-O 2.9Å; K515-E630 VanDerWaalsContact NZ-C 3.27Å; K515-E630 PolarHBondContact NZ-O 2.73Å; K515-S631 VanDerWaalsContact CE-N 3.28Å; K515-S631 WeakPolarHBondContact CE-OG 3.19Å; K515-S631 PolarHBondContact NZ-OG 2.87Å
516S82.3Confident74Confident113 Ų11373.4 Ų73.479%0.7939%0.394SS*.G310 helixtrans-64.7-14.7168.449.90000113.7P514P514-S516 PolarHBondContact O-N 3.29Å; P514-S516 VanDerWaalsContact O-N 3.12Å
517M86Confident72.2Confident63 Ų6369.5 Ų69.531%0.3138%0.375SS..G310 helixtrans-99.20.2173.8-56.2173.5175.300112.6V334 Y338 A369 V513 P514 K515V334-M517 HydrophobicContact CG2-CB 4.15Å; V334-M517 HydrophobicContact CG2-CG 4.43Å; V334-M517 HydrophobicContact CG2-SD 3.92Å; Y338-M517 HydrophobicContact CE2-CE 4.16Å; Y338-M517 HydrophobicContact CE2-SD 3.83Å; A369-M517 WeakPolarHBondContact CA-O 3.34Å; A369-M517 WeakPolarHBondContact CB-O 3.11Å; V513-M517 HydrophobicContact CG1-CB 4.27Å; V513-M517 HydrophobicContact CG1-SD 4.44Å; P514-M517 HydrophobicContact CB-CG 4.31Å; P514-M517 HydrophobicContact CB-SD 4.26Å; P514-M517 HydrophobicContact CG-CE 4.1Å; P514-M517 HydrophobicContact CG-SD 4.04Å; P514-M517 WeakPolarHBondContact O-CA 3.48Å; P514-M517 VanDerWaalsContact O-CB 3.3Å; P514-M517 WeakPolarHBondContact O-CB 3.24Å; P514-M517 PolarHBondContact O-N 2.9Å; K515-M517 PolarHBondContact O-N 3.04Å
518Y86Confident70.1Confident52 Ų5276.1 Ų76.120%0.20441%0.41CS..SBendtrans-73.9139.4175.9-72.516000109.5G365 R368 V513 K515G365-Y518 WeakPolarHBondContact CA-OH 3.41Å; R368-Y518 HydrophobicContact CB-CD1 4.08Å; R368-Y518 HydrophobicContact CB-CD2 3.67Å; R368-Y518 HydrophobicContact CB-CE1 4.25Å; R368-Y518 HydrophobicContact CB-CE2 3.83Å; R368-Y518 HydrophobicContact CB-CG 3.8Å; R368-Y518 HydrophobicContact CG-CD2 4.18Å; R368-Y518 HydrophobicContact CG-CE2 4.06Å; V513-Y518 HydrophobicContact CB-CE1 4.2Å; V513-Y518 HydrophobicContact CG1-CD1 4.41Å; V513-Y518 HydrophobicContact CG1-CE1 4.13Å; K515-Y518 HydrophobicContact CG-CD2 4.19Å; K515-Y518 HydrophobicContact CG-CE1 4.15Å; K515-Y518 HydrophobicContact CG-CE2 3.8Å; K515-Y518 WeakPolarHBondContact O-CB 3.37Å; K515-Y518 PolarHBondContact O-N 2.77Å; K515-Y518 VanDerWaalsContact O-N 3.12Å
519R78.1Confident68.2Low73 Ų7375.7 Ų75.728%0.27541%0.407SS..PPolyproline II helixtrans-64.5146.2173.7-69.1-179.5-174.3-175.3-2.6110.6R368 A369 L370 E523 L524 E527R368-R519 PolarHBondContact O-N 2.72Å; A369-R519 WeakPolarHBondContact O-CG 3.32Å; A369-R519 PolarHBondContact O-NE 3.35Å; L370-R519 VanDerWaalsContact C-CZ 3.44Å; L370-R519 PolarHBondContact O-NH1 2.96Å; L370-R519 PolarHBondContact O-NH2 2.72Å; R519-E523 VanDerWaalsContact CA-OE2 3.26Å; R519-E523 WeakPolarHBondContact CA-OE2 3.19Å; R519-E523 HydrophobicContact CB-CB 4.16Å; R519-E523 WeakPolarHBondContact CB-OE2 3.3Å; R519-L524 HydrophobicContact CB-CD2 4.19Å; R519-L524 HydrophobicContact CB-CG 4.01Å; R519-E527 IonicContact NH1-OE2 2.9Å
520T67.8Low66.3Low61 Ų6175.3 Ų75.337%0.37440%0.4SS..PPolyproline II helixtrans-70.2157.7175.487.50000110.3E522 E523 L524T520-E522 WeakPolarHBondContact CB-OE2 3.43Å; T520-E522 PolarHBondContact O-N 2.87Å; T520-E522 PolarHBondContact OG1-N 2.99Å; T520-E522 PolarHBondContact OG1-OE2 3.31Å; T520-E523 PolarHBondContact N-OE2 2.79Å; T520-E523 PolarHBondContact O-N 2.82Å; T520-E523 VanDerWaalsContact O-N 3.08Å; T520-E523 PolarHBondContact OG1-N 3.04Å; T520-L524 PolarHBondContact O-N 3.4Å; T520-L524 VanDerWaalsContact O-N 3.12Å
521P55.3Low64.2Low88 Ų8880.5 Ų80.557%0.57142%0.421SS*.Hα-helixtrans-52.3-38.6173.8-27.136.4000112.7E523 L524 E525P521-E523 VanDerWaalsContact C-N 3.31Å; P521-E523 PolarHBondContact O-N 3.32Å; P521-L524 PolarHBondContact O-N 2.97Å; P521-E525 VanDerWaalsContact O-CB 3.28Å; P521-E525 WeakPolarHBondContact O-CB 3.44Å; P521-E525 VanDerWaalsContact O-CG 3.26Å; P521-E525 WeakPolarHBondContact O-CG 3.35Å; P521-E525 PolarHBondContact O-N 2.81Å
522E53.5Low62.2Low122 Ų12286 Ų8657%0.5743%0.431SS*.Hα-helixtrans-69-23.8-179.8-5476.6-166.700113.4T520 E525T520-E522 WeakPolarHBondContact CB-OE2 3.43Å; T520-E522 PolarHBondContact O-N 2.87Å; T520-E522 PolarHBondContact OG1-N 2.99Å; T520-E522 PolarHBondContact OG1-OE2 3.31Å; E522-E525 WeakPolarHBondContact O-CB 3.35Å
523E57.4Low60.4Low108 Ų10883.7 Ų83.751%0.50542%0.421SS..Hα-helixtrans-83.2-40.5173.7-66.6174.3148.800111.7R519 T520 P521 E525 N526R519-E523 VanDerWaalsContact CA-OE2 3.26Å; R519-E523 WeakPolarHBondContact CA-OE2 3.19Å; R519-E523 HydrophobicContact CB-CB 4.16Å; R519-E523 WeakPolarHBondContact CB-OE2 3.3Å; T520-E523 PolarHBondContact N-OE2 2.79Å; T520-E523 PolarHBondContact O-N 2.82Å; T520-E523 VanDerWaalsContact O-N 3.08Å; T520-E523 PolarHBondContact OG1-N 3.04Å; P521-E523 VanDerWaalsContact C-N 3.31Å; P521-E523 PolarHBondContact O-N 3.32Å; E523-E525 PolarHBondContact O-N 2.93Å; E523-N526 PolarHBondContact O-N 2.87Å
524L52.8Low58.3Low21 Ų2191.3 Ų91.311%0.1146%0.456CS..Hα-helixtrans-63.9-22.4172-67167.1000112.1R519 T520 P521 N526R519-L524 HydrophobicContact CB-CD2 4.19Å; R519-L524 HydrophobicContact CB-CG 4.01Å; T520-L524 PolarHBondContact O-N 3.4Å; T520-L524 VanDerWaalsContact O-N 3.12Å; P521-L524 PolarHBondContact O-N 2.97Å; L524-N526 VanDerWaalsContact C-N 3.3Å; L524-N526 PolarHBondContact O-N 3.07Å
525E43.8Very low56.5Low72 Ų7294.5 Ų94.534%0.33648%0.475SS..THydrogen-bonded Turntrans-71.9-12.6179.6-99.1-165174.100115P521 E522 E523 R530P521-E525 VanDerWaalsContact O-CB 3.28Å; P521-E525 WeakPolarHBondContact O-CB 3.44Å; P521-E525 VanDerWaalsContact O-CG 3.26Å; P521-E525 WeakPolarHBondContact O-CG 3.35Å; P521-E525 PolarHBondContact O-N 2.81Å; E522-E525 WeakPolarHBondContact O-CB 3.35Å; E523-E525 PolarHBondContact O-N 2.93Å; E525-R530 HydrophobicContact CB-CG 4.32Å; E525-R530 VanDerWaalsContact CB-NH2 3.35Å; E525-R530 VanDerWaalsContact CD-NH2 3.31Å; E525-R530 HydrophobicContact CG-CG 4.01Å; E525-R530 PolarHBondContact O-NE 2.85Å; E525-R530 PolarHBondContact O-NH2 2.91Å; E525-R530 IonicContact OE1-CZ 3.84Å; E525-R530 IonicContact OE1-NH1 3.05Å; E525-R530 PolarHBondContact OE1-NH1 2.78Å; E525-R530 IonicContact OE2-CZ 2.69Å; E525-R530 IonicContact OE2-NH1 2.65Å; E525-R530 PolarHBondContact OE2-NH1 2.81Å; E525-R530 IonicContact OE2-NH2 3.66Å; E525-R530 PolarHBondContact OE2-NH2 2.72Å
526N48Very low55.4Low145 Ų14592.7 Ų92.778%0.77547%0.469SS*.THydrogen-bonded Turntrans-98-5.6177.6-83.7-35.8000114.3E523 L524E523-N526 PolarHBondContact O-N 2.87Å; L524-N526 VanDerWaalsContact C-N 3.3Å; L524-N526 PolarHBondContact O-N 3.07Å
527E49.6Very low54.5Low75 Ų7587.9 Ų87.935%0.3543%0.433SS..THydrogen-bonded Turntrans-107.3165.3166.8-65.2-177.1159.400108.9R519 V529R519-E527 IonicContact NH1-OE2 2.9Å; E527-V529 HydrophobicContact CB-CG2 4.28Å; E527-V529 PolarHBondContact O-N 3.22Å
528D43.2Very low54Low149 Ų14990 Ų9080%0.79744%0.443SS*.THydrogen-bonded Turntrans-67.223.4-174.6-78.1-51000115.3
529V45.3Very low53.6Low38 Ų3889.3 Ų89.323%0.2345%0.446CS..THydrogen-bonded Turntrans-79.8-21.6178.7-176.10000112E527 L531 W532 T533E527-V529 HydrophobicContact CB-CG2 4.28Å; E527-V529 PolarHBondContact O-N 3.22Å; V529-L531 VanDerWaalsContact C-N 3.3Å; V529-L531 PolarHBondContact O-N 2.51Å; V529-W532 PolarHBondContact O-N 2.9Å; V529-T533 WeakPolarHBondContact CG1-OG1 3.46Å; V529-T533 PolarHBondContact O-OG1 2.55Å
530R41.5Very low53.9Low131 Ų13185.9 Ų85.949%0.49443%0.432SS..Hα-helixtrans-49.5-43.3-178.1-76.2-158.6-172.3-118.62.2114E525 W532E525-R530 HydrophobicContact CB-CG 4.32Å; E525-R530 VanDerWaalsContact CB-NH2 3.35Å; E525-R530 VanDerWaalsContact CD-NH2 3.31Å; E525-R530 HydrophobicContact CG-CG 4.01Å; E525-R530 PolarHBondContact O-NE 2.85Å; E525-R530 PolarHBondContact O-NH2 2.91Å; E525-R530 IonicContact OE1-CZ 3.84Å; E525-R530 IonicContact OE1-NH1 3.05Å; E525-R530 PolarHBondContact OE1-NH1 2.78Å; E525-R530 IonicContact OE2-CZ 2.69Å; E525-R530 IonicContact OE2-NH1 2.65Å; E525-R530 PolarHBondContact OE2-NH1 2.81Å; E525-R530 IonicContact OE2-NH2 3.66Å; E525-R530 PolarHBondContact OE2-NH2 2.72Å; R530-W532 VanDerWaalsContact C-N 3.27Å; R530-W532 PolarHBondContact O-N 2.88Å
531L38.9Very low54.9Low135 Ų13584.2 Ų84.271%0.70742%0.424SS*.Hα-helixtrans-75-9.7-171.2-75.4166000115V529 T535V529-L531 VanDerWaalsContact C-N 3.3Å; V529-L531 PolarHBondContact O-N 2.51Å; L531-T535 PolarHBondContact O-OG1 2.66Å; L531-T535 VanDerWaalsContact O-OG1 3.13Å
532W42.6Very low56.5Low147 Ų14780 Ų8056%0.55740%0.396SS*.Hα-helixtrans-119.7-28-164.4-5897000115.1V529 R530 T535V529-W532 PolarHBondContact O-N 2.9Å; R530-W532 VanDerWaalsContact C-N 3.27Å; R530-W532 PolarHBondContact O-N 2.88Å; W532-T535 PolarHBondContact O-OG1 3.48Å
533T44.7Very low58Low39 Ų3978.3 Ų78.324%0.23939%0.387CS..Hα-helixtrans-82.6-34.3-175.1-41.40000112V529 Y537V529-T533 WeakPolarHBondContact CG1-OG1 3.46Å; V529-T533 PolarHBondContact O-OG1 2.55Å; T533-Y537 HydrophobicContact CG2-CD2 4.36Å
534E41.4Very low59.2Low164 Ų16478.8 Ų78.877%0.76639%0.387SS*.THydrogen-bonded Turntrans-75.7-23.4179.9-62.2-162.3133.300113.7
535T49.4Very low60.6Low110 Ų11081.2 Ų81.268%0.67542%0.418SS*.THydrogen-bonded Turntrans-84.2-18.5-17728.20000114.1L531 W532L531-T535 PolarHBondContact O-OG1 2.66Å; L531-T535 VanDerWaalsContact O-OG1 3.13Å; W532-T535 PolarHBondContact O-OG1 3.48Å
536I56.3Low62.5Low40 Ų4079.3 Ų79.321%0.20542%0.415CS..THydrogen-bonded Turntrans-104.2-36.7-178.765.3178.7000113.8P421 Y683P421-I536 HydrophobicContact CG-CD1 4.41Å; I536-Y683 HydrophobicContact CB-CD2 4.33Å; I536-Y683 VanDerWaalsContact O-CD2 3.29Å; I536-Y683 WeakPolarHBondContact O-CD2 3.11Å
537Y63.7Low64.5Low12 Ų1272.9 Ų72.95%0.04738%0.38CS..  trans-89.7125.2179.1-72.8-90.9000111.9W419 T533 D564 F682W419-Y537 AromaticContact NE1-CZ 3.95Å; W419-Y537 PolarHBondContact NE1-OH 2.8Å; T533-Y537 HydrophobicContact CG2-CD2 4.36Å; Y537-D564 HydrophobicContact CE1-CB 4.45Å; Y537-D564 PolarHBondContact OH-OD2 3.4Å; Y537-F682 CarbonylContact C-O 3.57Å; Y537-F682 WeakPolarHBondContact CA-O 3.07Å
538Q74Confident66.4Low108 Ų10869.8 Ų69.851%0.50537%0.366SS..EExtended strand (participates in β ladder)trans-85.7148.6170.9-59.3-176.622.500110.2M681 F682Q538-M681 CarbonylContact O-C 3.46Å; Q538-M681 WeakPolarHBondContact O-CA 3.38Å; Q538-F682 HydrophobicContact CB-CD1 4.28Å; Q538-F682 HydrophobicContact CB-CE1 3.79Å; Q538-F682 HydrophobicContact CB-CE2 4.05Å; Q538-F682 HydrophobicContact CB-CZ 3.67Å; Q538-F682 HydrophobicContact CG-CZ 4.46Å; Q538-F682 PolarHBondContact N-O 3.41Å; Q538-F682 WeakPolarHBondContact O-CD1 3.42Å; Q538-F682 PolarHBondContact O-N 3.5Å
539S79.3Confident68.7Low38 Ų3862.9 Ų62.927%0.26633%0.329SS..EExtended strand (participates in β ladder)trans-108.7132.8172.4-159.30000112K679 V680 M681S539-K679 WeakPolarHBondContact OG-CE 3.4Å; S539-V680 WeakPolarHBondContact CA-O 3.3Å; S539-V680 PolarHBondContact OG-O 2.97Å; S539-M681 WeakPolarHBondContact CB-SD 3.5Å; S539-M681 PolarHBondContact OG-SD 2.78Å
540A84.4Confident70.9Confident0 Ų062.7 Ų62.70%033%0.327CS..EExtended strand (participates in β ladder)trans-119.9144.9172.300000111.6H548 K679 V680 F682A540-H548 HydrophobicContact CB-CB 4.03Å; A540-H548 VanDerWaalsContact CB-CG 3.43Å; A540-H548 WeakPolarHBondContact CB-ND1 3.41Å; A540-K679 WeakPolarHBondContact O-CA 3.16Å; A540-V680 HydrophobicContact CB-CG2 3.8Å; A540-V680 PolarHBondContact N-O 3.32Å; A540-V680 PolarHBondContact O-N 3.08Å; A540-F682 HydrophobicContact CB-CD1 4.34Å; A540-F682 HydrophobicContact CB-CE1 3.83Å
541S86.9Confident73.2Confident27 Ų2758.7 Ų58.719%0.18932%0.316CS..EExtended strand (participates in β ladder)trans-111.2109.3172.1-740000109.2F543 N603 K677 C678S541-F543 WeakPolarHBondContact O-CD2 3.03Å; S541-F543 WeakPolarHBondContact O-CE2 3.38Å; S541-N603 VanDerWaalsContact O-CG 3.28Å; S541-N603 PolarHBondContact O-OD1 2.81Å; S541-N603 VanDerWaalsContact O-OD1 3.14Å; S541-K677 WeakPolarHBondContact OG-CE 3.26Å; S541-K677 PolarHBondContact OG-NZ 3.48Å; S541-C678 CarbonylContact C-O 3.55Å; S541-C678 WeakPolarHBondContact CA-O 3.01Å
542I89.5Confident75.7Confident0 Ų053 Ų530%029%0.287CS..EExtended strand (participates in β ladder)trans-95.6135.4-177.4-58.8119.2000109.3H548 I572 W648 F650 K677 C678 V680I542-H548 HydrophobicContact CG1-CB 3.76Å; I542-I572 HydrophobicContact CD1-CG2 4.28Å; I542-W648 HydrophobicContact CD1-CB 3.63Å; I542-W648 HydrophobicContact CD1-CG 4.45Å; I542-W648 HydrophobicContact CG1-CB 3.97Å; I542-F650 HydrophobicContact CG2-CB 4.3Å; I542-K677 WeakPolarHBondContact O-CA 3.14Å; I542-C678 HydrophobicContact CB-CB 4.31Å; I542-C678 PolarHBondContact N-O 2.82Å; I542-C678 PolarHBondContact O-N 3.33Å; I542-V680 HydrophobicContact CD1-CB 4.29Å; I542-V680 HydrophobicContact CD1-CG1 3.72Å; I542-V680 HydrophobicContact CD1-CG2 3.67Å
543F86.1Confident78Confident85 Ų8552.1 Ų52.137%0.37329%0.289SS..EExtended strand (participates in β ladder)trans-118.7155.8-179.3-61.9-95000111.1S541 G545 A546 K677S541-F543 WeakPolarHBondContact O-CD2 3.03Å; S541-F543 WeakPolarHBondContact O-CE2 3.38Å; F543-G545 PolarHBondContact O-N 2.86Å; F543-G545 VanDerWaalsContact O-N 3.08Å; F543-A546 HydrophobicContact CB-CB 4.37Å; F543-A546 PolarHBondContact N-O 3.36Å; F543-A546 CarbonylContact O-C 3.49Å; F543-A546 PolarHBondContact O-N 3.16Å; F543-A546 VanDerWaalsContact O-O 3.13Å; F543-K677 HydrophobicContact CD1-CB 4.04Å; F543-K677 HydrophobicContact CD1-CG 4.12Å; F543-K677 HydrophobicContact CE1-CB 3.91Å; F543-K677 HydrophobicContact CE1-CD 3.79Å; F543-K677 HydrophobicContact CE1-CG 3.68Å; F543-K677 HydrophobicContact CZ-CD 3.9Å; F543-K677 HydrophobicContact CZ-CG 3.99Å
544K82.6Confident80.2Confident118 Ų11850.4 Ų50.451%0.51328%0.278SS..THydrogen-bonded Turntrans-58116.1176.4-175.8169178.4160.30110.7F650 N652 H676K544-F650 HydrophobicContact CB-CD1 4.14Å; K544-F650 HydrophobicContact CB-CD2 4.35Å; K544-F650 HydrophobicContact CB-CE1 4.45Å; K544-F650 HydrophobicContact CB-CG 4.11Å; K544-F650 HydrophobicContact CD-CE1 4.4Å; K544-F650 HydrophobicContact CG-CD1 4.21Å; K544-N652 WeakPolarHBondContact CE-OD1 3.43Å; K544-N652 PolarHBondContact NZ-OD1 3.49Å; K544-N652 VanDerWaalsContact NZ-OD1 3.14Å; K544-H676 PolarHBondContact N-O 2.84Å
545G81.1Confident82.3Confident73 Ų7349 Ų4975%0.75328%0.275SS*.THydrogen-bonded Turntrans85.3-3.8-177.800000115.8F543F543-G545 PolarHBondContact O-N 2.86Å; F543-G545 VanDerWaalsContact O-N 3.08Å
546A84.6Confident83.7Confident32 Ų3247.7 Ų47.726%0.26426%0.263SS..BIsolated β-bridgetrans-129.188.8177.400000109.8F543 N603F543-A546 HydrophobicContact CB-CB 4.37Å; F543-A546 PolarHBondContact N-O 3.36Å; F543-A546 CarbonylContact O-C 3.49Å; F543-A546 PolarHBondContact O-N 3.16Å; F543-A546 VanDerWaalsContact O-O 3.13Å; A546-N603 PolarHBondContact O-ND2 3Å
547P89.2Confident84.7Confident9 Ų948 Ų486%0.05827%0.272CS..  trans-66.9161.5178.431.8-35.9000111.5E549 N603 Q605 Q647 W648 K649P547-E549 HydrophobicContact CG-CG 4.47Å; P547-E549 WeakPolarHBondContact CG-OE1 3.32Å; P547-N603 PolarHBondContact O-OD1 2.91Å; P547-Q605 HydrophobicContact CG-CG 4.31Å; P547-Q647 HydrophobicContact CB-CG 3.7Å; P547-Q647 HydrophobicContact CG-CG 4.36Å; P547-W648 WeakPolarHBondContact CA-O 3.4Å; P547-W648 WeakPolarHBondContact CB-O 3.25Å; P547-K649 HydrophobicContact CB-CB 4.23Å; P547-K649 HydrophobicContact CB-CG 4.42Å
548H90.6Very high85.3Confident11 Ų1148.7 Ų48.75%0.05128%0.28CS..EExtended strand (participates in β ladder)trans-99.1128.1165.4-172.592.8000109.1A540 I542 N602 N603 Q647 W648 F682A540-H548 HydrophobicContact CB-CB 4.03Å; A540-H548 VanDerWaalsContact CB-CG 3.43Å; A540-H548 WeakPolarHBondContact CB-ND1 3.41Å; I542-H548 HydrophobicContact CG1-CB 3.76Å; H548-N602 PolarHBondContact CE1-O 2.99Å; H548-N602 PolarHBondContact ND1-O 3Å; H548-N602 VanDerWaalsContact ND1-O 3.08Å; H548-N603 WeakPolarHBondContact CB-OD1 3.01Å; H548-Q647 WeakPolarHBondContact O-CA 3.4Å; H548-W648 AromaticContact CD2-CE3 3.91Å; H548-W648 PolarHBondContact N-O 2.88Å; H548-W648 PolarHBondContact O-N 2.88Å; H548-F682 AromaticContact NE2-CE1 3.78Å; H548-F682 AromaticContact NE2-CZ 3.64Å
549E91.7Very high85.6Confident4 Ų443.8 Ų43.82%0.01926%0.257CS..EExtended strand (participates in β ladder)trans-126.2124.6-175-70.7169.4-173.100111.1P547 V604 L606 I607 I645 L646 Q647P547-E549 HydrophobicContact CG-CG 4.47Å; P547-E549 WeakPolarHBondContact CG-OE1 3.32Å; E549-V604 PolarHBondContact N-O 2.69Å; E549-L606 WeakPolarHBondContact OE2-CA 3.13Å; E549-L606 PolarHBondContact OE2-N 2.77Å; E549-I607 PolarHBondContact OE2-N 3.49Å; E549-I645 HydrophobicContact CB-CG2 4.06Å; E549-I645 HydrophobicContact CG-CG2 4.28Å; E549-L646 WeakPolarHBondContact CA-O 3.3Å; E549-Q647 HydrophobicContact CG-CB 3.99Å; E549-Q647 HydrophobicContact CG-CG 3.73Å; E549-Q647 PolarHBondContact OE1-NE2 2.86Å
550L90Very high85.4Confident34 Ų3442 Ų4218%0.17825%0.245CC..EExtended strand (participates in β ladder)trans-106124.1171.2179.474.5000109I552 I645 L646 W648 F682 T684L550-I552 HydrophobicContact CD2-CD1 4.16Å; L550-I552 HydrophobicContact CD2-CG1 4.2Å; L550-I552 HydrophobicContact CG-CG1 4.3Å; L550-I645 WeakPolarHBondContact O-CA 3.42Å; L550-L646 HydrophobicContact CB-CB 4.37Å; L550-L646 PolarHBondContact N-O 2.9Å; L550-L646 PolarHBondContact O-N 3.39Å; L550-W648 HydrophobicContact CB-CZ3 4.01Å; L550-F682 HydrophobicContact CD2-CE2 4.11Å; L550-T684 HydrophobicContact CD2-CG2 3.76Å; L550-T684 VanDerWaalsContact CD2-OG1 3.25Å; L550-T684 WeakPolarHBondContact CD2-OG1 3.26Å
551V90.4Very high85.3Confident46 Ų4642 Ų4228%0.27925%0.245SC..EExtended strand (participates in β ladder)trans-97132.6173.6169.10000110.1P583 L606 F643 Y644 I645V551-P583 HydrophobicContact CG1-CG 4.35Å; V551-P583 HydrophobicContact CG2-CB 4.07Å; V551-P583 HydrophobicContact CG2-CG 3.73Å; V551-L606 HydrophobicContact CB-CD1 4.01Å; V551-L606 HydrophobicContact CG2-CB 4.15Å; V551-L606 HydrophobicContact CG2-CD1 3.41Å; V551-L606 VanDerWaalsContact CG2-CD1 3.41Å; V551-L606 HydrophobicContact CG2-CG 4.39Å; V551-F643 HydrophobicContact CG1-CB 4.26Å; V551-F643 HydrophobicContact CG1-CD1 3.94Å; V551-Y644 WeakPolarHBondContact CA-O 3.47Å; V551-I645 HydrophobicContact CG2-CG1 4.16Å; V551-I645 HydrophobicContact CG2-CG2 4.11Å
552I90.5Very high84.9Confident16 Ų1641.6 Ų41.68%0.08224%0.242CC..EExtended strand (participates in β ladder)trans-121.9117.3178.3-62.1-176.6000107.5L550 I554 I561 Y644 L646 V686L550-I552 HydrophobicContact CD2-CD1 4.16Å; L550-I552 HydrophobicContact CD2-CG1 4.2Å; L550-I552 HydrophobicContact CG-CG1 4.3Å; I552-I554 HydrophobicContact CG2-CD1 3.73Å; I552-I554 HydrophobicContact CG2-CG1 4.22Å; I552-I561 HydrophobicContact CD1-CG2 3.78Å; I552-I561 HydrophobicContact CG2-CD1 4.41Å; I552-I561 HydrophobicContact CG2-CG1 4.49Å; I552-Y644 PolarHBondContact N-O 3.3Å; I552-Y644 PolarHBondContact O-N 2.84Å; I552-L646 HydrophobicContact CD1-CD1 4.03Å; I552-L646 HydrophobicContact CD1-CD2 4.29Å; I552-V686 HydrophobicContact CG2-CG2 3.17Å
553E92.1Very high84.5Confident129 Ų12942.3 Ų42.360%0.60324%0.244SC*.EExtended strand (participates in β ladder)trans-83.4127.9173-175.8167.4-157.100110.2F643E553-F643 HydrophobicContact CB-CD1 4.09Å; E553-F643 HydrophobicContact CB-CE1 3.9Å; E553-F643 HydrophobicContact CG-CD1 4.24Å; E553-F643 HydrophobicContact CG-CE1 3.71Å; E553-F643 HydrophobicContact CG-CZ 4.21Å
554I89.9Confident84.1Confident3 Ų338.5 Ų38.52%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-116.9109.6-178.9-61.6-62000108I552 D556 I561 T638 P641 G642 Y644 V686I552-I554 HydrophobicContact CG2-CD1 3.73Å; I552-I554 HydrophobicContact CG2-CG1 4.22Å; I554-D556 WeakPolarHBondContact CG2-O 3.28Å; I554-I561 HydrophobicContact CD1-CD1 4.14Å; I554-I561 HydrophobicContact CD1-CG1 3.92Å; I554-I561 HydrophobicContact CG1-CD1 4.21Å; I554-T638 HydrophobicContact CB-CG2 4.47Å; I554-T638 HydrophobicContact CD1-CG2 4.01Å; I554-T638 HydrophobicContact CG1-CG2 3.85Å; I554-T638 HydrophobicContact CG2-CG2 3.92Å; I554-T638 WeakPolarHBondContact CG2-OG1 3.43Å; I554-P641 CarbonylContact O-C 3.5Å; I554-P641 VanDerWaalsContact O-CA 3.29Å; I554-P641 WeakPolarHBondContact O-CA 3.27Å; I554-G642 PolarHBondContact N-O 2.84Å; I554-G642 PolarHBondContact O-N 2.88Å; I554-Y644 HydrophobicContact CB-CD2 4.03Å; I554-Y644 HydrophobicContact CB-CE2 4.08Å; I554-Y644 HydrophobicContact CG1-CD2 3.43Å; I554-Y644 VanDerWaalsContact CG1-CD2 3.43Å; I554-Y644 HydrophobicContact CG1-CE2 3.85Å; I554-Y644 HydrophobicContact CG1-CG 4.35Å; I554-Y644 HydrophobicContact CG2-CE2 4.38Å; I554-V686 HydrophobicContact CD1-CB 4.39Å; I554-V686 HydrophobicContact CD1-CG1 3.51Å; I554-V686 HydrophobicContact CD1-CG2 3.88Å
555I85.6Confident84Confident135 Ų13532.9 Ų32.969%0.69220%0.203SC*.  trans-78.1-49.1178.9-57.4173.5000109.6P641I555-P641 WeakPolarHBondContact O-CB 3.46Å
556D79.5Confident83.7Confident82 Ų8230.7 Ų30.744%0.43917%0.174SC..SBendtrans-101.3131.5-176.3-60.9-65.5000112.9I554 S559 S689I554-D556 WeakPolarHBondContact CG2-O 3.28Å; D556-S559 WeakPolarHBondContact O-CB 3.49Å; D556-S559 PolarHBondContact O-N 3.23Å; D556-S559 PolarHBondContact O-OG 3.37Å; D556-S689 WeakPolarHBondContact CB-OG 3.4Å
557A77.8Confident83.5Confident46 Ų4629.2 Ų29.238%0.3816%0.162SC..THydrogen-bonded Turntrans-62.4149.9168.200000111S559 P641 S689A557-S559 PolarHBondContact O-N 3.39Å; A557-P641 HydrophobicContact CB-CG 4.28Å; A557-S689 WeakPolarHBondContact O-CB 3.29Å; A557-S689 PolarHBondContact O-OG 3.08Å
558A76.6Confident82.8Confident27 Ų2731.6 Ų31.622%0.22318%0.178CC..THydrogen-bonded Turntrans63.521-173.400000115.3I637 T638 S689 M696A558-I637 HydrophobicContact CB-CG2 4.16Å; A558-T638 VanDerWaalsContact CA-O 3.29Å; A558-T638 WeakPolarHBondContact CA-O 3.37Å; A558-T638 PolarHBondContact N-O 3.2Å; A558-T638 PolarHBondContact N-OG1 3.27Å; A558-S689 VanDerWaalsContact C-CB 3.49Å; A558-M696 HydrophobicContact CB-SD 3.8Å
559S79.7Confident82.2Confident4 Ų434.9 Ų34.93%0.02819%0.192CC..  trans-69157.1162.2-57.80000109.7D556 A557 T638 L687 S689D556-S559 WeakPolarHBondContact O-CB 3.49Å; D556-S559 PolarHBondContact O-N 3.23Å; D556-S559 PolarHBondContact O-OG 3.37Å; A557-S559 PolarHBondContact O-N 3.39Å; S559-T638 PolarHBondContact N-OG1 2.82Å; S559-T638 WeakPolarHBondContact O-CG2 3.45Å; S559-T638 PolarHBondContact O-N 3.13Å; S559-T638 PolarHBondContact O-OG1 2.62Å; S559-T638 VanDerWaalsContact O-OG1 3.08Å; S559-L687 CarbonylContact C-O 3.58Å; S559-L687 WeakPolarHBondContact CA-O 3.39Å; S559-L687 WeakPolarHBondContact CB-O 3.46Å; S559-S689 PolarHBondContact OG-N 2.83Å
560V75.1Confident81.8Confident1 Ų135.4 Ų35.41%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-111.5116.6179.6-173.60000109.2T562 H636 I637 L687 F692 L699V560-T562 HydrophobicContact CG1-CG2 4.13Å; V560-H636 WeakPolarHBondContact CA-O 3.4Å; V560-I637 HydrophobicContact CG2-CG1 4.47Å; V560-L687 HydrophobicContact CB-CB 4.32Å; V560-L687 PolarHBondContact N-O 3.43Å; V560-L687 PolarHBondContact O-N 3.41Å; V560-F692 HydrophobicContact CB-CE2 4.44Å; V560-F692 HydrophobicContact CG2-CD1 4.49Å; V560-F692 HydrophobicContact CG2-CD2 3.94Å; V560-F692 HydrophobicContact CG2-CE2 4.17Å; V560-F692 HydrophobicContact CG2-CG 4.15Å; V560-L699 HydrophobicContact CG1-CD1 4.45Å; V560-L699 HydrophobicContact CG2-CD1 3.86Å
561I81.6Confident81.8Confident1 Ų136.3 Ų36.31%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-83.2128.4166.8-58.3171000106.8I552 I554 W563 S635 H636 T638 Y644 L646I552-I561 HydrophobicContact CD1-CG2 3.78Å; I552-I561 HydrophobicContact CG2-CD1 4.41Å; I552-I561 HydrophobicContact CG2-CG1 4.49Å; I554-I561 HydrophobicContact CD1-CD1 4.14Å; I554-I561 HydrophobicContact CD1-CG1 3.92Å; I554-I561 HydrophobicContact CG1-CD1 4.21Å; I561-W563 HydrophobicContact CG2-CE3 4.25Å; I561-S635 CarbonylContact O-C 3.47Å; I561-S635 WeakPolarHBondContact O-CA 3.33Å; I561-H636 PolarHBondContact N-O 2.88Å; I561-H636 PolarHBondContact O-N 3.34Å; I561-T638 HydrophobicContact CD1-CG2 3.74Å; I561-T638 HydrophobicContact CG1-CG2 3.76Å; I561-Y644 VanDerWaalsContact CD1-CB 3.5Å; I561-Y644 HydrophobicContact CD1-CD1 3.79Å; I561-Y644 HydrophobicContact CD1-CD2 4.02Å; I561-Y644 HydrophobicContact CD1-CG 3.49Å; I561-Y644 VanDerWaalsContact CD1-CG 3.49Å; I561-L646 HydrophobicContact CG2-CD1 4.39Å; I561-L646 HydrophobicContact CG2-CD2 4.48Å
562T78.8Confident81.9Confident18 Ų1834.1 Ų34.111%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-113.2148.3169.565.30000110M415 V560 G634 T684 E685 L687M415-T562 HydrophobicContact CE-CG2 3.88Å; V560-T562 HydrophobicContact CG1-CG2 4.13Å; T562-G634 WeakPolarHBondContact CA-O 3.39Å; T562-T684 VanDerWaalsContact O-CA 3.25Å; T562-T684 WeakPolarHBondContact O-CA 3.26Å; T562-E685 PolarHBondContact N-O 3.18Å; T562-E685 PolarHBondContact O-N 2.72Å; T562-E685 WeakPolarHBondContact OG1-CB 3.44Å; T562-E685 PolarHBondContact OG1-O 3.06Å; T562-L687 HydrophobicContact CG2-CD1 3.75Å; T562-L687 HydrophobicContact CG2-CG 4.3Å
563W80.9Confident82Confident14 Ų1434.3 Ų34.35%0.05319%0.192CC..EExtended strand (participates in β ladder)trans-138.3146.7172.359.689000110.9I561 F565 F574 I576 Q633 G634 S635 H636 L646 Y683 T684I561-W563 HydrophobicContact CG2-CE3 4.25Å; W563-F565 AromaticContact CD1-CD1 3.92Å; W563-F565 AromaticContact CD1-CE1 3.8Å; W563-F574 AromaticContact CD1-CE1 3.94Å; W563-F574 AromaticContact CD1-CZ 3.96Å; W563-F574 HydrophobicContact CD2-CE1 4.05Å; W563-F574 AromaticContact CD2-CZ 3.99Å; W563-F574 HydrophobicContact CD2-CZ 3.99Å; W563-F574 AromaticContact CE2-CE1 3.64Å; W563-F574 HydrophobicContact CG-CE1 4.24Å; W563-F574 AromaticContact CG-CZ 3.94Å; W563-F574 HydrophobicContact CG-CZ 3.94Å; W563-F574 HydrophobicContact CZ2-CE1 4.1Å; W563-F574 AromaticContact NE1-CE1 3.53Å; W563-I576 HydrophobicContact CE3-CD1 4.09Å; W563-I576 HydrophobicContact CH2-CD1 3.24Å; W563-I576 HydrophobicContact CZ2-CD1 3.73Å; W563-I576 HydrophobicContact CZ3-CD1 3.44Å; W563-I576 VanDerWaalsContact CZ3-CD1 3.44Å; W563-Q633 WeakPolarHBondContact O-CA 3.18Å; W563-G634 VanDerWaalsContact CE2-CA 3.47Å; W563-G634 PolarHBondContact N-O 3.44Å; W563-G634 PolarHBondContact O-N 2.82Å; W563-S635 VanDerWaalsContact CH2-C 3.44Å; W563-S635 VanDerWaalsContact CZ3-C 3.5Å; W563-H636 HydrophobicContact CH2-CB 3.93Å; W563-H636 HydrophobicContact CZ3-CB 3.68Å; W563-L646 HydrophobicContact CB-CD2 4.2Å; W563-Y683 WeakPolarHBondContact CA-O 3.39Å; W563-T684 HydrophobicContact CB-CG2 4Å
564D78.2Confident82.1Confident6 Ų628.5 Ų28.53%0.03217%0.165CC..EExtended strand (participates in β ladder)trans-137.9121.9166.9-179.620.5000108.6K364 Y537 V632 Q633 F682 Y683K364-D564 IonicContact NZ-OD1 2.94Å; K364-D564 PolarHBondContact NZ-OD1 2.94Å; K364-D564 IonicContact NZ-OD2 3.68Å; K364-D564 PolarHBondContact NZ-OD2 2.98Å; Y537-D564 HydrophobicContact CE1-CB 4.45Å; Y537-D564 PolarHBondContact OH-OD2 3.4Å; D564-V632 CarbonylContact C-O 3.53Å; D564-V632 WeakPolarHBondContact CA-O 3.46Å; D564-Q633 HydrophobicContact CB-CG 3.87Å; D564-Q633 VanDerWaalsContact CG-CG 3.48Å; D564-Q633 WeakPolarHBondContact OD1-CG 3.04Å; D564-Q633 PolarHBondContact OD2-NE2 2.81Å; D564-F682 CarbonylContact O-C 3.58Å; D564-F682 WeakPolarHBondContact O-CA 3.16Å; D564-Y683 PolarHBondContact N-O 2.96Å; D564-Y683 PolarHBondContact O-N 2.97Å
565F80.3Confident82.2Confident0 Ų028.8 Ų28.80%017%0.167CC..EExtended strand (participates in β ladder)trans-141.2146.3175.366.8-97.1000113.8W563 V567 I572 F574 C626 S631 V632 W648 M681 F682W563-F565 AromaticContact CD1-CD1 3.92Å; W563-F565 AromaticContact CD1-CE1 3.8Å; F565-V567 HydrophobicContact CD2-CG2 4.17Å; F565-V567 HydrophobicContact CE2-CG2 4Å; F565-I572 HydrophobicContact CE2-CD1 4.04Å; F565-I572 HydrophobicContact CZ-CD1 4.42Å; F565-F574 HydrophobicContact CD1-CD2 4.45Å; F565-F574 HydrophobicContact CD1-CE2 4.43Å; F565-F574 HydrophobicContact CE1-CB 4.14Å; F565-F574 AromaticContact CE1-CD1 3.86Å; F565-F574 HydrophobicContact CE1-CD1 3.86Å; F565-F574 AromaticContact CE1-CD2 3.61Å; F565-F574 HydrophobicContact CE1-CD2 3.61Å; F565-F574 HydrophobicContact CE1-CE1 4.1Å; F565-F574 AromaticContact CE1-CE2 3.86Å; F565-F574 HydrophobicContact CE1-CE2 3.86Å; F565-F574 AromaticContact CE1-CG 3.59Å; F565-F574 HydrophobicContact CE1-CG 3.59Å; F565-F574 HydrophobicContact CE1-CZ 4.09Å; F565-F574 HydrophobicContact CZ-CB 3.63Å; F565-F574 HydrophobicContact CZ-CD1 4.12Å; F565-F574 AromaticContact CZ-CD2 3.94Å; F565-F574 HydrophobicContact CZ-CD2 3.94Å; F565-F574 AromaticContact CZ-CG 3.64Å; F565-F574 HydrophobicContact CZ-CG 3.64Å; F565-C626 HydrophobicContact CE2-CB 4.47Å; F565-S631 CarbonylContact O-C 3.54Å; F565-S631 WeakPolarHBondContact O-CA 3.48Å; F565-V632 HydrophobicContact CD1-CB 4.24Å; F565-V632 HydrophobicContact CD1-CG1 4.46Å; F565-V632 HydrophobicContact CD2-CB 4.15Å; F565-V632 HydrophobicContact CD2-CG2 4.48Å; F565-V632 HydrophobicContact CE1-CB 3.81Å; F565-V632 HydrophobicContact CE1-CG1 3.71Å; F565-V632 HydrophobicContact CE2-CB 3.7Å; F565-V632 HydrophobicContact CE2-CG1 4.33Å; F565-V632 HydrophobicContact CE2-CG2 3.77Å; F565-V632 HydrophobicContact CG-CB 4.4Å; F565-V632 HydrophobicContact CZ-CB 3.52Å; F565-V632 HydrophobicContact CZ-CG1 3.63Å; F565-V632 HydrophobicContact CZ-CG2 3.86Å; F565-V632 PolarHBondContact N-O 2.99Å; F565-V632 PolarHBondContact O-N 3.17Å; F565-W648 HydrophobicContact CD1-CZ2 4.03Å; F565-W648 AromaticContact CD1-NE1 3.4Å; F565-W648 AromaticContact CD2-NE1 3.58Å; F565-W648 AromaticContact CE1-NE1 3.53Å; F565-W648 AromaticContact CE2-NE1 3.72Å; F565-W648 HydrophobicContact CG-CZ2 4.43Å; F565-W648 AromaticContact CG-NE1 3.43Å; F565-W648 AromaticContact CZ-NE1 3.68Å; F565-M681 CarbonylContact C-O 3.37Å; F565-M681 WeakPolarHBondContact CA-O 3.47Å; F565-M681 WeakPolarHBondContact CB-O 3.09Å; F565-F682 HydrophobicContact CB-CB 3.52Å
566D75.6Confident82.6Confident26 Ų2622.5 Ų22.514%0.13913%0.134CC..EExtended strand (participates in β ladder)trans-108.5128.9175.1-57.3-36000108.8K364 C568 E630 S631 V680 M681K364-D566 IonicContact NZ-OD1 3.47Å; K364-D566 PolarHBondContact NZ-OD1 3.28Å; K364-D566 IonicContact NZ-OD2 3.7Å; D566-C568 PolarHBondContact O-N 3.22Å; D566-E630 WeakPolarHBondContact CA-O 3.39Å; D566-S631 VanDerWaalsContact OD1-CB 3.3Å; D566-S631 WeakPolarHBondContact OD1-CB 3.42Å; D566-S631 PolarHBondContact OD1-OG 3.03Å; D566-V680 WeakPolarHBondContact O-CA 3.41Å; D566-M681 PolarHBondContact N-O 2.7Å; D566-M681 PolarHBondContact O-N 2.71Å
567V80.3Confident83.2Confident2 Ų219.2 Ų19.21%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-84.890177.4-172.30000108.7F565 K569 G570 I572 C626 K627 G629 E630F565-V567 HydrophobicContact CD2-CG2 4.17Å; F565-V567 HydrophobicContact CE2-CG2 4Å; V567-K569 PolarHBondContact O-N 3.44Å; V567-G570 WeakPolarHBondContact CG1-O 3.44Å; V567-I572 HydrophobicContact CG1-CG1 4.16Å; V567-I572 HydrophobicContact CG2-CD1 4.45Å; V567-I572 HydrophobicContact CG2-CG1 4Å; V567-C626 HydrophobicContact CG2-CB 3.74Å; V567-K627 WeakPolarHBondContact CB-O 3.39Å; V567-K627 WeakPolarHBondContact CG1-O 3.44Å; V567-G629 WeakPolarHBondContact O-CA 3.38Å; V567-G629 PolarHBondContact O-N 2.84Å; V567-E630 PolarHBondContact N-O 2.79Å
568C73.4Confident84Confident59 Ų5917.5 Ų17.540%0.39910%0.1SC..EExtended strand (participates in β ladder)trans-74.1-22-173.1-52.80000114.7D566 K679 M681D566-C568 PolarHBondContact O-N 3.22Å; C568-K679 HydrophobicContact CB-CB 4.26Å; C568-K679 HydrophobicContact CB-CD 4.25Å; C568-K679 HydrophobicContact CB-CG 4.24Å; C568-K679 PolarHBondContact N-O 3.43Å; C568-M681 WeakPolarHBondContact SG-CG 3.39Å
569K78.1Confident84.7Confident80 Ų8016.4 Ų16.435%0.3489%0.091SC..EExtended strand (participates in β ladder)trans-161.8136.9176.9-176.6177174.9-177.40110.2V567 S674 C678 K679V567-K569 PolarHBondContact O-N 3.44Å; K569-S674 PolarHBondContact NZ-O 2.97Å; K569-C678 CarbonylContact O-C 3.35Å; K569-C678 WeakPolarHBondContact O-CA 3.37Å; K569-C678 WeakPolarHBondContact O-CB 3.4Å; K569-K679 HydrophobicContact CB-CB 4.01Å; K569-K679 PolarHBondContact N-O 3.14Å; K569-K679 VanDerWaalsContact N-O 3.09Å; K569-K679 PolarHBondContact O-N 2.92Å
570G83.3Confident85Confident15 Ų1525.1 Ų25.116%0.15513%0.128CC..SBendtrans67.9143.817200000115.1V567 E628 C678V567-G570 WeakPolarHBondContact CG1-O 3.44Å; G570-E628 WeakPolarHBondContact CA-OE2 3.25Å; G570-E628 VanDerWaalsContact N-CD 3.35Å; G570-E628 PolarHBondContact N-OE2 2.84Å; G570-C678 VanDerWaalsContact C-SG 3.55Å
571D89.3Confident85.4Confident52 Ų5232.1 Ų32.128%0.27815%0.154SC..  trans-66.8140.2-180-63.6-8.3000111.8C626 K627 E628 H651 C678D571-C626 WeakPolarHBondContact CA-O 3.48Å; D571-K627 VanDerWaalsContact OD1-CA 3.27Å; D571-K627 WeakPolarHBondContact OD1-CA 3.46Å; D571-E628 PolarHBondContact OD1-N 2.81Å; D571-H651 HydrophobicContact CB-CB 3.88Å; D571-H651 WeakPolarHBondContact O-CB 3.46Å; D571-H651 PolarHBondContact O-N 2.88Å; D571-H651 VanDerWaalsContact O-N 3.09Å; D571-C678 PolarHBondContact O-SG 3.08Å
572I92.6Very high85.4Confident0 Ų034.3 Ų34.30%017%0.173CC..EExtended strand (participates in β ladder)trans-132.4162.5-178.864.782.6000111.8I542 F565 V567 F574 C626 K649 C678 V680I542-I572 HydrophobicContact CD1-CG2 4.28Å; F565-I572 HydrophobicContact CE2-CD1 4.04Å; F565-I572 HydrophobicContact CZ-CD1 4.42Å; V567-I572 HydrophobicContact CG1-CG1 4.16Å; V567-I572 HydrophobicContact CG2-CD1 4.45Å; V567-I572 HydrophobicContact CG2-CG1 4Å; I572-F574 HydrophobicContact CD1-CB 4.11Å; I572-C626 HydrophobicContact CD1-CB 3.71Å; I572-C626 VanDerWaalsContact CD1-SG 3.59Å; I572-C626 HydrophobicContact CG1-CB 4.11Å; I572-C626 PolarHBondContact N-O 2.92Å; I572-C626 PolarHBondContact O-N 3.26Å; I572-K649 CarbonylContact C-O 3.57Å; I572-K649 VanDerWaalsContact CA-O 3.24Å; I572-K649 WeakPolarHBondContact CA-O 3.48Å; I572-K649 WeakPolarHBondContact CB-O 3.37Å; I572-C678 HydrophobicContact CG2-CB 3.52Å; I572-V680 HydrophobicContact CG1-CG1 4.33Å
573V93.2Very high85.3Confident20 Ų2034.3 Ų34.312%0.12117%0.173CC..EExtended strand (participates in β ladder)trans-115.6120166.3-174.20000107.6N575 P623 L624 K649 H651V573-N575 PolarHBondContact O-ND2 2.95Å; V573-P623 HydrophobicContact CG1-CB 3.67Å; V573-L624 CarbonylContact C-O 3.36Å; V573-L624 WeakPolarHBondContact CA-O 3.11Å; V573-K649 PolarHBondContact N-O 3.21Å; V573-K649 PolarHBondContact O-N 3.17Å; V573-H651 HydrophobicContact CG2-CB 4.01Å; V573-H651 VanDerWaalsContact CG2-ND1 3.3Å; V573-H651 WeakPolarHBondContact CG2-ND1 3.24Å
574F93.7Very high84.5Confident7 Ų739.5 Ų39.53%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-91.8134.1172.1178.4-109.1000110W563 F565 I572 I576 L624 L646 Q647 W648W563-F574 AromaticContact CD1-CE1 3.94Å; W563-F574 AromaticContact CD1-CZ 3.96Å; W563-F574 HydrophobicContact CD2-CE1 4.05Å; W563-F574 AromaticContact CD2-CZ 3.99Å; W563-F574 HydrophobicContact CD2-CZ 3.99Å; W563-F574 AromaticContact CE2-CE1 3.64Å; W563-F574 HydrophobicContact CG-CE1 4.24Å; W563-F574 AromaticContact CG-CZ 3.94Å; W563-F574 HydrophobicContact CG-CZ 3.94Å; W563-F574 HydrophobicContact CZ2-CE1 4.1Å; W563-F574 AromaticContact NE1-CE1 3.53Å; F565-F574 HydrophobicContact CD1-CD2 4.45Å; F565-F574 HydrophobicContact CD1-CE2 4.43Å; F565-F574 HydrophobicContact CE1-CB 4.14Å; F565-F574 AromaticContact CE1-CD1 3.86Å; F565-F574 HydrophobicContact CE1-CD1 3.86Å; F565-F574 AromaticContact CE1-CD2 3.61Å; F565-F574 HydrophobicContact CE1-CD2 3.61Å; F565-F574 HydrophobicContact CE1-CE1 4.1Å; F565-F574 AromaticContact CE1-CE2 3.86Å; F565-F574 HydrophobicContact CE1-CE2 3.86Å; F565-F574 AromaticContact CE1-CG 3.59Å; F565-F574 HydrophobicContact CE1-CG 3.59Å; F565-F574 HydrophobicContact CE1-CZ 4.09Å; F565-F574 HydrophobicContact CZ-CB 3.63Å; F565-F574 HydrophobicContact CZ-CD1 4.12Å; F565-F574 AromaticContact CZ-CD2 3.94Å; F565-F574 HydrophobicContact CZ-CD2 3.94Å; F565-F574 AromaticContact CZ-CG 3.64Å; F565-F574 HydrophobicContact CZ-CG 3.64Å; I572-F574 HydrophobicContact CD1-CB 4.11Å; F574-I576 HydrophobicContact CE1-CD1 3.95Å; F574-I576 HydrophobicContact CE1-CG1 3.78Å; F574-I576 HydrophobicContact CZ-CD1 4.29Å; F574-I576 HydrophobicContact CZ-CG1 3.97Å; F574-L624 HydrophobicContact CB-CB 4.46Å; F574-L624 PolarHBondContact N-O 3.46Å; F574-L624 PolarHBondContact O-N 3.06Å; F574-L646 HydrophobicContact CE2-CB 4.01Å; F574-L646 HydrophobicContact CE2-CD2 4.2Å; F574-L646 HydrophobicContact CE2-CG 4.03Å; F574-L646 HydrophobicContact CZ-CB 4.35Å; F574-L646 HydrophobicContact CZ-CD2 3.94Å; F574-L646 HydrophobicContact CZ-CG 3.84Å; F574-Q647 CarbonylContact C-O 3.51Å; F574-Q647 WeakPolarHBondContact CA-O 3.42Å; F574-W648 AromaticContact CD2-CD1 3.8Å; F574-W648 HydrophobicContact CD2-CD2 4.06Å; F574-W648 AromaticContact CD2-CE2 3.65Å; F574-W648 HydrophobicContact CD2-CG 4.16Å; F574-W648 HydrophobicContact CD2-CZ2 4.15Å; F574-W648 AromaticContact CD2-NE1 3.45Å; F574-W648 HydrophobicContact CE2-CD2 4.29Å; F574-W648 AromaticContact CE2-CE2 3.69Å; F574-W648 HydrophobicContact CE2-CH2 4.28Å; F574-W648 AromaticContact CE2-CZ2 3.69Å; F574-W648 HydrophobicContact CE2-CZ2 3.69Å; F574-W648 AromaticContact CE2-NE1 3.91Å
575N93.2Very high83.6Confident9 Ų943.7 Ų43.75%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-135.3149.1-178.1-49.1-103.1000109.2V573 Y577 P623 Q647V573-N575 PolarHBondContact O-ND2 2.95Å; N575-Y577 HydrophobicContact CB-CD2 4.34Å; N575-Y577 HydrophobicContact CB-CE2 3.58Å; N575-Y577 PolarHBondContact OD1-OH 2.85Å; N575-P623 WeakPolarHBondContact OD1-CB 3.14Å; N575-Q647 HydrophobicContact CB-CB 4.31Å; N575-Q647 PolarHBondContact N-O 2.78Å; N575-Q647 PolarHBondContact ND2-O 2.85Å; N575-Q647 PolarHBondContact O-N 2.82Å
576I93.1Very high82.5Confident3 Ų348.4 Ų48.42%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-120.3126.8170.6-52.8177.8000107.7W563 F574 V620 E621 Y644 I645 L646W563-I576 HydrophobicContact CE3-CD1 4.09Å; W563-I576 HydrophobicContact CH2-CD1 3.24Å; W563-I576 HydrophobicContact CZ2-CD1 3.73Å; W563-I576 HydrophobicContact CZ3-CD1 3.44Å; W563-I576 VanDerWaalsContact CZ3-CD1 3.44Å; F574-I576 HydrophobicContact CE1-CD1 3.95Å; F574-I576 HydrophobicContact CE1-CG1 3.78Å; F574-I576 HydrophobicContact CZ-CD1 4.29Å; F574-I576 HydrophobicContact CZ-CG1 3.97Å; I576-V620 HydrophobicContact CB-CB 4.15Å; I576-V620 HydrophobicContact CG2-CB 3.84Å; I576-V620 HydrophobicContact CG2-CG1 4Å; I576-V620 HydrophobicContact CG2-CG2 4.29Å; I576-V620 WeakPolarHBondContact O-CB 3.43Å; I576-V620 PolarHBondContact O-N 3.46Å; I576-E621 HydrophobicContact CD1-CG 4.39Å; I576-Y644 HydrophobicContact CG2-CD1 4.25Å; I576-I645 WeakPolarHBondContact CA-O 3.46Å; I576-L646 HydrophobicContact CG1-CG 4.48Å; I576-L646 HydrophobicContact CG2-CD1 4.27Å
577Y92.9Very high81.1Confident14 Ų1457.2 Ų57.26%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-119.4161.3174.6-55.3-76.7000111.5N575 I607 L613 Y617 S618 M619 Y644 I645 Q647N575-Y577 HydrophobicContact CB-CD2 4.34Å; N575-Y577 HydrophobicContact CB-CE2 3.58Å; N575-Y577 PolarHBondContact OD1-OH 2.85Å; Y577-I607 HydrophobicContact CD2-CD1 4.06Å; Y577-I607 HydrophobicContact CE2-CD1 4.31Å; Y577-L613 HydrophobicContact CD1-CD1 4.15Å; Y577-L613 HydrophobicContact CE1-CD1 4.04Å; Y577-Y617 AromaticContact CD1-CD2 3.6Å; Y577-Y617 HydrophobicContact CD1-CD2 3.6Å; Y577-Y617 AromaticContact CD1-CE2 3.71Å; Y577-Y617 HydrophobicContact CD1-CE2 3.71Å; Y577-Y617 HydrophobicContact CD2-CD2 4.49Å; Y577-Y617 HydrophobicContact CD2-CE2 4.49Å; Y577-Y617 HydrophobicContact CE1-CD2 4.22Å; Y577-Y617 AromaticContact CE1-CE2 3.84Å; Y577-Y617 HydrophobicContact CE1-CE2 3.84Å; Y577-Y617 AromaticContact CG-CD2 3.76Å; Y577-Y617 HydrophobicContact CG-CD2 3.76Å; Y577-Y617 HydrophobicContact CG-CE2 4.06Å; Y577-S618 CarbonylContact C-O 3.55Å; Y577-S618 WeakPolarHBondContact CA-O 3.38Å; Y577-S618 WeakPolarHBondContact CB-O 3.35Å; Y577-M619 HydrophobicContact CD1-CB 4.21Å; Y577-M619 HydrophobicContact CE1-CB 4.26Å; Y577-M619 HydrophobicContact CE1-CE 3.78Å; Y577-M619 HydrophobicContact CE1-CG 4.47Å; Y577-Y644 CarbonylContact O-C 3.58Å; Y577-Y644 WeakPolarHBondContact O-CA 3.43Å; Y577-I645 PolarHBondContact N-O 3.13Å; Y577-I645 PolarHBondContact O-N 3.21Å; Y577-Q647 HydrophobicContact CD2-CB 4.32Å; Y577-Q647 HydrophobicContact CE2-CB 3.91Å; Y577-Q647 HydrophobicContact CE2-CG 4.48Å
578H93.4Very high79.4Confident10 Ų1067 Ų675%0.04633%0.33CS..EExtended strand (participates in β ladder)trans-128.5136.2170.5173.1-104.4000110.1Y617 S618 V620 P641 F643 Y644H578-Y617 CarbonylContact O-C 3.52Å; H578-Y617 VanDerWaalsContact O-CA 3.3Å; H578-Y617 WeakPolarHBondContact O-CA 3.27Å; H578-S618 PolarHBondContact N-O 2.83Å; H578-S618 PolarHBondContact O-N 3.22Å; H578-S618 PolarHBondContact O-OG 2.77Å; H578-V620 HydrophobicContact CB-CG2 3.49Å; H578-V620 VanDerWaalsContact CB-CG2 3.49Å; H578-P641 PolarHBondContact NE2-O 2.9Å; H578-F643 CarbonylContact C-O 3.55Å; H578-F643 WeakPolarHBondContact CA-O 3.34Å; H578-Y644 HydrophobicContact CB-CD1 4.31Å; H578-Y644 HydrophobicContact CB-CE1 4.1Å; H578-Y644 AromaticContact CD2-CD2 3.85Å; H578-Y644 AromaticContact CD2-CE2 3.46Å; H578-Y644 VanDerWaalsContact CD2-CE2 3.46Å; H578-Y644 WeakPolarHBondContact CD2-CE2 3.4Å; H578-Y644 AromaticContact CD2-CZ 3.64Å
579S91.1Very high77.6Confident3 Ų371 Ų712%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-131.3147.4168.2-174.70000111R581 D616 F643S579-R581 VanDerWaalsContact C-N 3.3Å; S579-R581 PolarHBondContact OG-N 2.88Å; S579-R581 VanDerWaalsContact OG-N 3.09Å; S579-R581 PolarHBondContact OG-O 2.88Å; S579-D616 WeakPolarHBondContact CB-O 3.47Å; S579-D616 PolarHBondContact OG-O 3.21Å; S579-F643 PolarHBondContact N-O 2.98Å; S579-F643 PolarHBondContact O-N 2.83Å
580K86.3Confident75.6Confident188 Ų18872.1 Ų72.182%0.81737%0.371SS*.SBendtrans-79.2-14.7169.6-63.3-177.7-179.7179.70112.8
581R85.1Confident73.7Confident147 Ų14779.5 Ų79.556%0.55541%0.406SS*.SBendtrans-106.4137.8-176.9-174.4178.5-178.8-1760.1109.4S579 P583 W611 F643S579-R581 VanDerWaalsContact C-N 3.3Å; S579-R581 PolarHBondContact OG-N 2.88Å; S579-R581 VanDerWaalsContact OG-N 3.09Å; S579-R581 PolarHBondContact OG-O 2.88Å; R581-P583 VanDerWaalsContact O-CD 3.25Å; R581-P583 WeakPolarHBondContact O-CD 3.35Å; R581-W611 HydrophobicContact CB-CH2 4.26Å; R581-W611 HydrophobicContact CB-CZ2 4.42Å; R581-W611 HydrophobicContact CG-CZ2 4.27Å; R581-F643 WeakPolarHBondContact O-CD2 3.29Å
582A80.5Confident71.1Confident48 Ų4880.1 Ų80.140%0.39743%0.425SS..PPolyproline II helixtrans-60.2121172.200000110.1Q584 F643A582-Q584 PolarHBondContact O-N 3.05Å; A582-F643 HydrophobicContact CB-CD2 4.33Å; A582-F643 HydrophobicContact CB-CE1 3.98Å; A582-F643 HydrophobicContact CB-CE2 3.79Å; A582-F643 HydrophobicContact CB-CZ 3.6Å; A582-F643 VanDerWaalsContact N-CE2 3.31Å
583P76.3Confident68.3Low17 Ų1784.3 Ų84.311%0.1146%0.46CS..PPolyproline II helixtrans-61.8131.5169.1-22.436.6000109.1V551 R581 L606 W611 F643 I645V551-P583 HydrophobicContact CG1-CG 4.35Å; V551-P583 HydrophobicContact CG2-CB 4.07Å; V551-P583 HydrophobicContact CG2-CG 3.73Å; R581-P583 VanDerWaalsContact O-CD 3.25Å; R581-P583 WeakPolarHBondContact O-CD 3.35Å; P583-L606 HydrophobicContact CB-CB 3.96Å; P583-W611 HydrophobicContact CB-CH2 4.15Å; P583-W611 HydrophobicContact CG-CH2 3.92Å; P583-W611 HydrophobicContact CG-CZ3 4.25Å; P583-F643 HydrophobicContact CG-CB 4.44Å; P583-I645 HydrophobicContact CG-CD1 3.79Å; P583-I645 HydrophobicContact CG-CG1 4.4Å
584Q65.6Low65.7Low123 Ų12393 Ų9358%0.57550%0.499SS*.PPolyproline II helixtrans-89136.9178.1-66.3-154.4-10.100110.2A582A582-Q584 PolarHBondContact O-N 3.05Å
585P59.1Low62.5Low95 Ų9595.6 Ų95.662%0.61753%0.527SS*.PPolyproline II helixtrans-61.5144.317027.8-34000109.4R587 L606P585-R587 PolarHBondContact O-N 3.28Å; P585-L606 HydrophobicContact CB-CD2 4.46Å
586P56Low59.5Low98 Ų98103.1 Ų103.164%0.63657%0.566SS**PPolyproline II helixtrans-58.2128.2-177.222-32.7000110.6K588P586-K588 PolarHBondContact O-N 3.47Å
587R47Very low56.4Low211 Ų211109.1 Ų109.180%0.79660%0.603SS**PPolyproline II helixtrans-59.3128.3173.3-74.2-178.6174.1178.2-2.7108.7P585 D589P585-R587 PolarHBondContact O-N 3.28Å; R587-D589 PolarHBondContact O-N 2.67Å
588K44.2Very low53.3Low209 Ų209113.8 Ų113.891%0.90964%0.638SS**  trans-66.9100.6162.2-93.4-176.8172.5177.20107.8P586 A590P586-K588 PolarHBondContact O-N 3.47Å; K588-A590 PolarHBondContact O-N 2.81Å
589D36.3Very low50.3Low143 Ų143119.8 Ų119.877%0.76568%0.677SS**  trans-62.3117.4172.1-73.9-36.4000109.7R587 L591R587-D589 PolarHBondContact O-N 2.67Å; D589-L591 PolarHBondContact O-N 3.02Å
590A35.8Very low47.5Very low103 Ų103122.9 Ų122.985%0.85171%0.709SS**SBendtrans-78.523.3-176.300000113.6K588K588-A590 PolarHBondContact O-N 2.81Å
591L43.2Very low45.2Very low169 Ų169120.4 Ų120.489%0.88571%0.71SS**  trans-137.682.2-172.8-71.6171.8000109.9D589D589-L591 PolarHBondContact O-N 3.02Å
592G34.3Very low43.4Very low66 Ų66117.7 Ų117.768%0.6871%0.706SS**  trans176.641.8-175.200000115.3
593A34.9Very low42.3Very low88 Ų88118.1 Ų118.173%0.72770%0.702SS**  trans-62.1139.4159.800000108.5
594H37.1Very low42Very low202 Ų202120 Ų12094%0.93571%0.713SS**SBendtrans80.158.4-172.3-43.6-67.6000116.2
595G28Very low42.5Very low61 Ų61117.9 Ų117.963%0.62970%0.703SS**SBendtrans-134139.4155.100000109.5T597G595-T597 PolarHBondContact O-N 3.32Å
596I29.2Very low43.3Very low167 Ų167114.6 Ų114.686%0.85668%0.68SS**  trans-60.2128.1-174.9-62.9168.8000110S598I596-S598 PolarHBondContact O-N 2.88Å
597T28.2Very low44.4Very low130 Ų130110.5 Ų110.580%0.79865%0.653SS**  trans-65.9102.2176.549.10000110.7G595 P599G595-T597 PolarHBondContact O-N 3.32Å; T597-P599 WeakPolarHBondContact O-CD 3.14Å
598S28.8Very low45.7Very low112 Ų112104.7 Ų104.778%0.78364%0.637SS**  trans-70.7118.4170.1-68.10000110.5I596 G600I596-S598 PolarHBondContact O-N 2.88Å; S598-G600 PolarHBondContact O-N 3.39Å
599P30.5Very low47.1Very low136 Ų136104.2 Ų104.288%0.88364%0.636SS**  trans-83.7107.5178.832.1-30.5000110.3T597T597-P599 WeakPolarHBondContact O-CD 3.14Å
600G30.8Very low49.1Very low67 Ų67101.4 Ų101.469%0.69163%0.627SS**  trans17790.5178.300000112.9S598S598-G600 PolarHBondContact O-N 3.39Å
601V38.7Very low51.3Low136 Ų13697.7 Ų97.782%0.82459%0.591SS**SBendtrans-65.3149.2167.4-1600000108.6
602N47.5Very low53.2Low90 Ų9093.1 Ų93.148%0.48157%0.57SS.*  trans79.240.2175.1-51.9-7.8000118.7H548H548-N602 PolarHBondContact CE1-O 2.99Å; H548-N602 PolarHBondContact ND1-O 3Å; H548-N602 VanDerWaalsContact ND1-O 3.08Å
603N57.5Low55.6Low58 Ų5894.3 Ų94.331%0.3156%0.56SS.*  trans-117.7108.4152.6-149.231.4000110S541 A546 P547 H548S541-N603 VanDerWaalsContact O-CG 3.28Å; S541-N603 PolarHBondContact O-OD1 2.81Å; S541-N603 VanDerWaalsContact O-OD1 3.14Å; A546-N603 PolarHBondContact O-ND2 3Å; P547-N603 PolarHBondContact O-OD1 2.91Å; H548-N603 WeakPolarHBondContact CB-OD1 3.01Å
604V68.6Low57.9Low57 Ų5793.4 Ų93.435%0.34556%0.559SS.*  trans-114.4121.6-172.1-164.40000107.9E549 L606E549-V604 PolarHBondContact N-O 2.69Å; V604-L606 HydrophobicContact CG1-CD1 4.06Å; V604-L606 HydrophobicContact CG1-CD2 3.63Å; V604-L606 HydrophobicContact CG1-CG 3.73Å
605Q76.2Confident60Low78 Ų7891.1 Ų91.136%0.36455%0.549SS..  trans-117124.3170.4-174.8176.5-0.800107.4P547P547-Q605 HydrophobicContact CG-CG 4.31Å
606L77.4Confident62.7Low25 Ų2590.7 Ų90.713%0.13153%0.532CS..  trans-119.7-25.3-168.7-62.5171.7000111.7E549 V551 P583 P585 V604 D608E549-L606 WeakPolarHBondContact OE2-CA 3.13Å; E549-L606 PolarHBondContact OE2-N 2.77Å; V551-L606 HydrophobicContact CB-CD1 4.01Å; V551-L606 HydrophobicContact CG2-CB 4.15Å; V551-L606 HydrophobicContact CG2-CD1 3.41Å; V551-L606 VanDerWaalsContact CG2-CD1 3.41Å; V551-L606 HydrophobicContact CG2-CG 4.39Å; P583-L606 HydrophobicContact CB-CB 3.96Å; P585-L606 HydrophobicContact CB-CD2 4.46Å; V604-L606 HydrophobicContact CG1-CD1 4.06Å; V604-L606 HydrophobicContact CG1-CD2 3.63Å; V604-L606 HydrophobicContact CG1-CG 3.73Å; L606-D608 PolarHBondContact O-N 2.81Å
607I79.1Confident65.5Low12 Ų1284.4 Ų84.46%0.06250%0.498CS..SBendtrans-71.4108.2167-59.9174.6000108.1E549 Y577 W611 Y617 I645E549-I607 PolarHBondContact OE2-N 3.49Å; Y577-I607 HydrophobicContact CD2-CD1 4.06Å; Y577-I607 HydrophobicContact CE2-CD1 4.31Å; I607-W611 HydrophobicContact CG2-CB 4.07Å; I607-Y617 HydrophobicContact CD1-CD2 4.2Å; I607-Y617 HydrophobicContact CD1-CE2 3.94Å; I607-Y617 HydrophobicContact CG2-CD1 4.38Å; I607-Y617 HydrophobicContact CG2-CE1 3.85Å; I607-I645 HydrophobicContact CD1-CD1 4.08Å; I607-I645 HydrophobicContact CD1-CG2 4.38Å; I607-I645 HydrophobicContact CG1-CD1 3.71Å; I607-I645 HydrophobicContact CG1-CG2 4.44Å
608D74.1Confident68.5Low89 Ų8980.7 Ų80.748%0.47648%0.477SS..  trans-62.8145.9176.5-171.8-62.3000110.7L606 S610 W611L606-D608 PolarHBondContact O-N 2.81Å; D608-S610 VanDerWaalsContact CG-OG 3.29Å; D608-S610 PolarHBondContact O-N 3.01Å; D608-S610 VanDerWaalsContact O-N 3.09Å; D608-S610 WeakPolarHBondContact OD1-CB 3.4Å; D608-S610 PolarHBondContact OD1-N 3.12Å; D608-S610 PolarHBondContact OD1-OG 2.78Å; D608-W611 HydrophobicContact CB-CG 4.27Å; D608-W611 WeakPolarHBondContact O-CB 3.29Å; D608-W611 PolarHBondContact O-N 3.39Å
609K73.3Confident71.4Confident200 Ų20079.1 Ų79.187%0.8746%0.459SS*.THydrogen-bonded Turntrans-62.2-17.5179.7-65.3-180-179174.80113.7
610S77.5Confident74.1Confident83 Ų8374.5 Ų74.558%0.5843%0.428SS*.THydrogen-bonded Turntrans-81.8-13.6173.759.60000114.2D608D608-S610 VanDerWaalsContact CG-OG 3.29Å; D608-S610 PolarHBondContact O-N 3.01Å; D608-S610 VanDerWaalsContact O-N 3.09Å; D608-S610 WeakPolarHBondContact OD1-CB 3.4Å; D608-S610 PolarHBondContact OD1-N 3.12Å; D608-S610 PolarHBondContact OD1-OG 2.78Å
611W82.5Confident76.5Confident26 Ų2673 Ų7310%0.09840%0.403CS..  trans-78.3131.6-177-75.928.4000112R581 P583 I607 D608 D616 Y617R581-W611 HydrophobicContact CB-CH2 4.26Å; R581-W611 HydrophobicContact CB-CZ2 4.42Å; R581-W611 HydrophobicContact CG-CZ2 4.27Å; P583-W611 HydrophobicContact CB-CH2 4.15Å; P583-W611 HydrophobicContact CG-CH2 3.92Å; P583-W611 HydrophobicContact CG-CZ3 4.25Å; I607-W611 HydrophobicContact CG2-CB 4.07Å; D608-W611 HydrophobicContact CB-CG 4.27Å; D608-W611 WeakPolarHBondContact O-CB 3.29Å; D608-W611 PolarHBondContact O-N 3.39Å; W611-D616 WeakPolarHBondContact CA-OD2 3.36Å; W611-D616 HydrophobicContact CB-CB 3.92Å; W611-D616 HydrophobicContact CD2-CB 3.93Å; W611-D616 HydrophobicContact CE3-CB 4.06Å; W611-D616 HydrophobicContact CG-CB 3.88Å; W611-Y617 HydrophobicContact CB-CD1 3.99Å; W611-Y617 HydrophobicContact CB-CE1 3.91Å; W611-Y617 AromaticContact CE3-CD1 3.92Å; W611-Y617 HydrophobicContact CE3-CD1 3.92Å; W611-Y617 HydrophobicContact CE3-CG 4.36Å
612T83.3Confident78.6Confident73 Ų7371.1 Ų71.145%0.44840%0.396SS..  trans-104.2125.7-177.4-57.20000111.1G614 Q615 D616T612-G614 PolarHBondContact O-N 2.81Å; T612-Q615 HydrophobicContact CG2-CB 4.42Å; T612-Q615 PolarHBondContact O-N 3.47Å; T612-D616 PolarHBondContact N-OD2 3.17Å; T612-D616 PolarHBondContact O-N 2.97Å
613L85.3Confident80.5Confident91 Ų9169.9 Ų69.948%0.47639%0.392SS..BIsolated β-bridgetrans-62.8132175.9179.867.3000110.3Y577 Q615 Y617Y577-L613 HydrophobicContact CD1-CD1 4.15Å; Y577-L613 HydrophobicContact CE1-CD1 4.04Å; L613-Q615 VanDerWaalsContact C-N 3.32Å; L613-Y617 HydrophobicContact CB-CE1 4.29Å; L613-Y617 HydrophobicContact CB-CE2 4.29Å; L613-Y617 HydrophobicContact CD1-CD2 3.84Å; L613-Y617 HydrophobicContact CD1-CE2 3.56Å; L613-Y617 HydrophobicContact CG-CE2 4.5Å
614G82.6Confident82Confident68 Ų6869.1 Ų69.170%0.70139%0.388SS*.THydrogen-bonded Turntrans88.5-10.8-173.200000114.3T612 Y617T612-G614 PolarHBondContact O-N 2.81Å; G614-Y617 PolarHBondContact N-O 2.81Å
615Q80.9Confident83Confident155 Ų15569.7 Ų69.772%0.72439%0.392SS*.THydrogen-bonded Turntrans-118.6-60.2179.6-175171.24.600112.3T612 L613T612-Q615 HydrophobicContact CG2-CB 4.42Å; T612-Q615 PolarHBondContact O-N 3.47Å; L613-Q615 VanDerWaalsContact C-N 3.32Å
616D84.1Confident83.5Confident52 Ų5266 Ų6628%0.27837%0.374SS..THydrogen-bonded Turntrans-87.8-31-179.3-62.2-73.5000112.3S579 W611 T612S579-D616 WeakPolarHBondContact CB-O 3.47Å; S579-D616 PolarHBondContact OG-O 3.21Å; W611-D616 WeakPolarHBondContact CA-OD2 3.36Å; W611-D616 HydrophobicContact CB-CB 3.92Å; W611-D616 HydrophobicContact CD2-CB 3.93Å; W611-D616 HydrophobicContact CE3-CB 4.06Å; W611-D616 HydrophobicContact CG-CB 3.88Å; T612-D616 PolarHBondContact N-OD2 3.17Å; T612-D616 PolarHBondContact O-N 2.97Å
617Y89.4Confident83.8Confident35 Ų3570.8 Ų70.814%0.13739%0.394CS..BIsolated β-bridgetrans-146.4155.117668.1-73000109.9Y577 H578 I607 W611 L613 G614Y577-Y617 AromaticContact CD1-CD2 3.6Å; Y577-Y617 HydrophobicContact CD1-CD2 3.6Å; Y577-Y617 AromaticContact CD1-CE2 3.71Å; Y577-Y617 HydrophobicContact CD1-CE2 3.71Å; Y577-Y617 HydrophobicContact CD2-CD2 4.49Å; Y577-Y617 HydrophobicContact CD2-CE2 4.49Å; Y577-Y617 HydrophobicContact CE1-CD2 4.22Å; Y577-Y617 AromaticContact CE1-CE2 3.84Å; Y577-Y617 HydrophobicContact CE1-CE2 3.84Å; Y577-Y617 AromaticContact CG-CD2 3.76Å; Y577-Y617 HydrophobicContact CG-CD2 3.76Å; Y577-Y617 HydrophobicContact CG-CE2 4.06Å; H578-Y617 CarbonylContact O-C 3.52Å; H578-Y617 VanDerWaalsContact O-CA 3.3Å; H578-Y617 WeakPolarHBondContact O-CA 3.27Å; I607-Y617 HydrophobicContact CD1-CD2 4.2Å; I607-Y617 HydrophobicContact CD1-CE2 3.94Å; I607-Y617 HydrophobicContact CG2-CD1 4.38Å; I607-Y617 HydrophobicContact CG2-CE1 3.85Å; W611-Y617 HydrophobicContact CB-CD1 3.99Å; W611-Y617 HydrophobicContact CB-CE1 3.91Å; W611-Y617 AromaticContact CE3-CD1 3.92Å; W611-Y617 HydrophobicContact CE3-CD1 3.92Å; W611-Y617 HydrophobicContact CE3-CG 4.36Å; L613-Y617 HydrophobicContact CB-CE1 4.29Å; L613-Y617 HydrophobicContact CB-CE2 4.29Å; L613-Y617 HydrophobicContact CD1-CD2 3.84Å; L613-Y617 HydrophobicContact CD1-CE2 3.56Å; L613-Y617 HydrophobicContact CG-CE2 4.5Å; G614-Y617 PolarHBondContact N-O 2.81Å
618S90.5Very high83.8Confident51 Ų5175.5 Ų75.536%0.35742%0.416SS..EExtended strand (participates in β ladder)trans-127.4149.3-177.360.80000110.9Y577 H578Y577-S618 CarbonylContact C-O 3.55Å; Y577-S618 WeakPolarHBondContact CA-O 3.38Å; Y577-S618 WeakPolarHBondContact CB-O 3.35Å; H578-S618 PolarHBondContact N-O 2.83Å; H578-S618 PolarHBondContact O-N 3.22Å; H578-S618 PolarHBondContact O-OG 2.77Å
619M89.3Confident83.2Confident80 Ų8073 Ų7339%0.39441%0.412SS..EExtended strand (participates in β ladder)trans-77.8133.6174.9-176.1171.9-76.700109.8Y577 E621 P623Y577-M619 HydrophobicContact CD1-CB 4.21Å; Y577-M619 HydrophobicContact CE1-CB 4.26Å; Y577-M619 HydrophobicContact CE1-CE 3.78Å; Y577-M619 HydrophobicContact CE1-CG 4.47Å; M619-E621 WeakPolarHBondContact CG-O 3.38Å; M619-P623 HydrophobicContact CE-CG 3.65Å; M619-P623 HydrophobicContact SD-CG 3.82Å
620V86.8Confident83.1Confident39 Ų3966.2 Ų66.224%0.23638%0.383CS..  trans-100.7-41-171.3173.80000111.6I576 H578 H636 Y644I576-V620 HydrophobicContact CB-CB 4.15Å; I576-V620 HydrophobicContact CG2-CB 3.84Å; I576-V620 HydrophobicContact CG2-CG1 4Å; I576-V620 HydrophobicContact CG2-CG2 4.29Å; I576-V620 WeakPolarHBondContact O-CB 3.43Å; I576-V620 PolarHBondContact O-N 3.46Å; H578-V620 HydrophobicContact CB-CG2 3.49Å; H578-V620 VanDerWaalsContact CB-CG2 3.49Å; V620-H636 WeakPolarHBondContact CG1-CE1 3.44Å; V620-H636 WeakPolarHBondContact CG1-NE2 2.98Å; V620-Y644 HydrophobicContact CG1-CD1 4.5Å; V620-Y644 HydrophobicContact CG1-CE1 4.07Å; V620-Y644 HydrophobicContact CG2-CD1 4.2Å; V620-Y644 HydrophobicContact CG2-CE1 4.01Å
621E81.5Confident82.7Confident36 Ų3663.6 Ų63.617%0.16837%0.365CS..SBendtrans-131.8159.7173.7-62-164.1-173.900110.2I576 M619 H636 S701I576-E621 HydrophobicContact CD1-CG 4.39Å; M619-E621 WeakPolarHBondContact CG-O 3.38Å; E621-H636 WeakPolarHBondContact OE1-CB 3.03Å; E621-H636 IonicContact OE1-CE1 3.81Å; E621-H636 IonicContact OE1-CG 3.44Å; E621-H636 IonicContact OE1-ND1 2.71Å; E621-H636 PolarHBondContact OE1-ND1 3.43Å; E621-S701 PolarHBondContact OE1-OG 2.82Å; E621-S701 WeakPolarHBondContact OE2-CB 3.33Å; E621-S701 PolarHBondContact OE2-OG 3.09Å
622S83.7Confident82.3Confident96 Ų9662.9 Ų62.967%0.67136%0.363SS*.PPolyproline II helixtrans-61.6141.8175.9-62.90000111.3L624S622-L624 PolarHBondContact O-N 2.71Å
623P87.6Confident81.8Confident63 Ų6362.1 Ų62.141%0.40936%0.355SS..PPolyproline II helixtrans-61.2124.8-179.1-24.836.2000112V573 N575 M619V573-P623 HydrophobicContact CG1-CB 3.67Å; N575-P623 WeakPolarHBondContact OD1-CB 3.14Å; M619-P623 HydrophobicContact CE-CG 3.65Å; M619-P623 HydrophobicContact SD-CG 3.82Å
624L87.6Confident81.3Confident43 Ų4358.7 Ų58.723%0.22534%0.341CS..EExtended strand (participates in β ladder)trans-92.3116177.2179.954000109.2V573 F574 S622 V632V573-L624 CarbonylContact C-O 3.36Å; V573-L624 WeakPolarHBondContact CA-O 3.11Å; F574-L624 HydrophobicContact CB-CB 4.46Å; F574-L624 PolarHBondContact N-O 3.46Å; F574-L624 PolarHBondContact O-N 3.06Å; S622-L624 PolarHBondContact O-N 2.71Å; L624-V632 HydrophobicContact CD2-CG1 3.56Å; L624-V632 HydrophobicContact CD2-CG2 4.38Å
625T90.5Very high81Confident68 Ų6855.9 Ų55.942%0.41731%0.311SS..EExtended strand (participates in β ladder)trans-84.3121.4170.8-60.10000108.7
626C86Confident81Confident0 Ų049.2 Ų49.20%028%0.28CS..EExtended strand (participates in β ladder)trans-117.6133.6-177.6-39.10000109.7F565 V567 D571 I572 E630 V632F565-C626 HydrophobicContact CE2-CB 4.47Å; V567-C626 HydrophobicContact CG2-CB 3.74Å; D571-C626 WeakPolarHBondContact CA-O 3.48Å; I572-C626 HydrophobicContact CD1-CB 3.71Å; I572-C626 VanDerWaalsContact CD1-SG 3.59Å; I572-C626 HydrophobicContact CG1-CB 4.11Å; I572-C626 PolarHBondContact N-O 2.92Å; I572-C626 PolarHBondContact O-N 3.26Å; C626-E630 VanDerWaalsContact CA-OE2 3.23Å; C626-E630 WeakPolarHBondContact CA-OE2 3.12Å; C626-V632 HydrophobicContact CB-CG2 4.26Å
627K84.1Confident80.8Confident126 Ų12648.8 Ų48.855%0.54828%0.277SS..  trans-87.2158.5-179.9-64-179.8178.3177.80112.7V567 D571 G629 E630V567-K627 WeakPolarHBondContact CB-O 3.39Å; V567-K627 WeakPolarHBondContact CG1-O 3.44Å; D571-K627 VanDerWaalsContact OD1-CA 3.27Å; D571-K627 WeakPolarHBondContact OD1-CA 3.46Å; K627-G629 PolarHBondContact O-N 2.83Å; K627-E630 HydrophobicContact CB-CG 4.09Å; K627-E630 VanDerWaalsContact N-CD 3.34Å; K627-E630 PolarHBondContact N-OE2 3.09Å; K627-E630 WeakPolarHBondContact O-CB 3.34Å; K627-E630 PolarHBondContact O-N 2.8Å
628E80.1Confident80.6Confident111 Ų11147.1 Ų47.152%0.51927%0.27SS..THydrogen-bonded Turntrans-51.1131.5167.5-177.9164.9164.600110.8G570 D571G570-E628 WeakPolarHBondContact CA-OE2 3.25Å; G570-E628 VanDerWaalsContact N-CD 3.35Å; G570-E628 PolarHBondContact N-OE2 2.84Å; D571-E628 PolarHBondContact OD1-N 2.81Å
629G60.9Low80.3Confident38 Ų3853.7 Ų53.739%0.39229%0.287SS..THydrogen-bonded Turntrans86.3-6.6-176.900000114.8K515 V567 K627K515-G629 WeakPolarHBondContact CD-O 3.2Å; K515-G629 WeakPolarHBondContact CE-O 3.23Å; K515-G629 PolarHBondContact NZ-O 2.9Å; V567-G629 WeakPolarHBondContact O-CA 3.38Å; V567-G629 PolarHBondContact O-N 2.84Å; K627-G629 PolarHBondContact O-N 2.83Å
630E71.4Confident80.1Confident56 Ų5657.5 Ų57.526%0.26230%0.297SS..  trans-74.3157.7179.5-71.7-179.6169.100113.7K515 D566 V567 C626 K627K515-E630 VanDerWaalsContact NZ-C 3.27Å; K515-E630 PolarHBondContact NZ-O 2.73Å; D566-E630 WeakPolarHBondContact CA-O 3.39Å; V567-E630 PolarHBondContact N-O 2.79Å; C626-E630 VanDerWaalsContact CA-OE2 3.23Å; C626-E630 WeakPolarHBondContact CA-OE2 3.12Å; K627-E630 HydrophobicContact CB-CG 4.09Å; K627-E630 VanDerWaalsContact N-CD 3.34Å; K627-E630 PolarHBondContact N-OE2 3.09Å; K627-E630 WeakPolarHBondContact O-CB 3.34Å; K627-E630 PolarHBondContact O-N 2.8Å
631S67.8Low80.2Confident28 Ų2858.8 Ų58.820%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-119.7130.3168.6-77.20000107.3K515 F565 D566K515-S631 VanDerWaalsContact CE-N 3.28Å; K515-S631 WeakPolarHBondContact CE-OG 3.19Å; K515-S631 PolarHBondContact NZ-OG 2.87Å; F565-S631 CarbonylContact O-C 3.54Å; F565-S631 WeakPolarHBondContact O-CA 3.48Å; D566-S631 VanDerWaalsContact OD1-CB 3.3Å; D566-S631 WeakPolarHBondContact OD1-CB 3.42Å; D566-S631 PolarHBondContact OD1-OG 3.03Å
632V75.4Confident80.6Confident11 Ų1157.7 Ų57.77%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-126.1115.9-175.6178.40000108.9D564 F565 L624 C626D564-V632 CarbonylContact C-O 3.53Å; D564-V632 WeakPolarHBondContact CA-O 3.46Å; F565-V632 HydrophobicContact CD1-CB 4.24Å; F565-V632 HydrophobicContact CD1-CG1 4.46Å; F565-V632 HydrophobicContact CD2-CB 4.15Å; F565-V632 HydrophobicContact CD2-CG2 4.48Å; F565-V632 HydrophobicContact CE1-CB 3.81Å; F565-V632 HydrophobicContact CE1-CG1 3.71Å; F565-V632 HydrophobicContact CE2-CB 3.7Å; F565-V632 HydrophobicContact CE2-CG1 4.33Å; F565-V632 HydrophobicContact CE2-CG2 3.77Å; F565-V632 HydrophobicContact CG-CB 4.4Å; F565-V632 HydrophobicContact CZ-CB 3.52Å; F565-V632 HydrophobicContact CZ-CG1 3.63Å; F565-V632 HydrophobicContact CZ-CG2 3.86Å; F565-V632 PolarHBondContact N-O 2.99Å; F565-V632 PolarHBondContact O-N 3.17Å; L624-V632 HydrophobicContact CD2-CG1 3.56Å; L624-V632 HydrophobicContact CD2-CG2 4.38Å; C626-V632 HydrophobicContact CB-CG2 4.26Å
633Q73.3Confident81Confident58 Ų5854.6 Ų54.627%0.27128%0.279SS..EExtended strand (participates in β ladder)trans-110.5143.3168.8-71.3-179.8-50.100109.1W563 D564W563-Q633 WeakPolarHBondContact O-CA 3.18Å; D564-Q633 HydrophobicContact CB-CG 3.87Å; D564-Q633 VanDerWaalsContact CG-CG 3.48Å; D564-Q633 WeakPolarHBondContact OD1-CG 3.04Å; D564-Q633 PolarHBondContact OD2-NE2 2.81Å
634G73.9Confident81.3Confident18 Ų1851.7 Ų51.719%0.18626%0.26CS..EExtended strand (participates in β ladder)trans-166.1172176.300000112.8T562 W563T562-G634 WeakPolarHBondContact CA-O 3.39Å; W563-G634 VanDerWaalsContact CE2-CA 3.47Å; W563-G634 PolarHBondContact N-O 3.44Å; W563-G634 PolarHBondContact O-N 2.82Å
635S77.3Confident81.6Confident10 Ų1049.7 Ų49.77%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-149.9144.2178.359.10000111I561 W563I561-S635 CarbonylContact O-C 3.47Å; I561-S635 WeakPolarHBondContact O-CA 3.33Å; W563-S635 VanDerWaalsContact CH2-C 3.44Å; W563-S635 VanDerWaalsContact CZ3-C 3.5Å
636H80.5Confident81.7Confident15 Ų1546.4 Ų46.47%0.06923%0.23CC..EExtended strand (participates in β ladder)trans-126.8125.7177.2-175.674.3000110.8V560 I561 W563 V620 E621 T638 Y644V560-H636 WeakPolarHBondContact CA-O 3.4Å; I561-H636 PolarHBondContact N-O 2.88Å; I561-H636 PolarHBondContact O-N 3.34Å; W563-H636 HydrophobicContact CH2-CB 3.93Å; W563-H636 HydrophobicContact CZ3-CB 3.68Å; V620-H636 WeakPolarHBondContact CG1-CE1 3.44Å; V620-H636 WeakPolarHBondContact CG1-NE2 2.98Å; E621-H636 WeakPolarHBondContact OE1-CB 3.03Å; E621-H636 IonicContact OE1-CE1 3.81Å; E621-H636 IonicContact OE1-CG 3.44Å; E621-H636 IonicContact OE1-ND1 2.71Å; E621-H636 PolarHBondContact OE1-ND1 3.43Å; H636-T638 PolarHBondContact O-N 2.85Å; H636-Y644 AromaticContact CD2-CE1 3.89Å; H636-Y644 AromaticContact NE2-CE1 4Å
637I79.1Confident82Confident42 Ų4247 Ų4722%0.21523%0.232CC..EExtended strand (participates in β ladder)trans-77.7115.6167.6-51.1-177.2000109.1A558 V560 R639 M696 L699A558-I637 HydrophobicContact CB-CG2 4.16Å; V560-I637 HydrophobicContact CG2-CG1 4.47Å; I637-R639 PolarHBondContact O-N 2.9Å; I637-M696 HydrophobicContact CD1-CB 4.44Å; I637-L699 HydrophobicContact CD1-CB 3.93Å; I637-L699 HydrophobicContact CD1-CD1 3.98Å; I637-L699 HydrophobicContact CD1-CG 4.43Å; I637-L699 HydrophobicContact CG1-CB 3.86Å; I637-L699 HydrophobicContact CG1-CD1 3.93Å
638T84.6Confident82.5Confident1 Ų141 Ų411%0.00621%0.206CC..  trans-64.9117.8-179.465.70000110.8I554 A558 S559 I561 H636 Y644I554-T638 HydrophobicContact CB-CG2 4.47Å; I554-T638 HydrophobicContact CD1-CG2 4.01Å; I554-T638 HydrophobicContact CG1-CG2 3.85Å; I554-T638 HydrophobicContact CG2-CG2 3.92Å; I554-T638 WeakPolarHBondContact CG2-OG1 3.43Å; A558-T638 VanDerWaalsContact CA-O 3.29Å; A558-T638 WeakPolarHBondContact CA-O 3.37Å; A558-T638 PolarHBondContact N-O 3.2Å; A558-T638 PolarHBondContact N-OG1 3.27Å; S559-T638 PolarHBondContact N-OG1 2.82Å; S559-T638 WeakPolarHBondContact O-CG2 3.45Å; S559-T638 PolarHBondContact O-N 3.13Å; S559-T638 PolarHBondContact O-OG1 2.62Å; S559-T638 VanDerWaalsContact O-OG1 3.08Å; I561-T638 HydrophobicContact CD1-CG2 3.74Å; I561-T638 HydrophobicContact CG1-CG2 3.76Å; H636-T638 PolarHBondContact O-N 2.85Å; T638-Y644 WeakPolarHBondContact CA-OH 3.42Å; T638-Y644 WeakPolarHBondContact CB-OH 3.42Å; T638-Y644 HydrophobicContact CG2-CD2 4.21Å; T638-Y644 HydrophobicContact CG2-CE1 4.28Å; T638-Y644 HydrophobicContact CG2-CE2 3.73Å
639R84.2Confident83.1Confident189 Ų18940.7 Ų40.771%0.71320%0.203SC*.SBendtrans-76-28177.1-61.8-174.9-177.3-168.90.1112.8I637 Y644I637-R639 PolarHBondContact O-N 2.9Å; R639-Y644 PolarHBondContact N-OH 2.87Å; R639-Y644 VanDerWaalsContact N-OH 3.17Å
640W85.3Confident84.4Confident159 Ų15940.4 Ų40.460%0.60219%0.191SC*.SBendtrans-137.7144.5-170.6-48.8115.6000110.3Y644W640-Y644 PolarHBondContact N-OH 3.48Å; W640-Y644 VanDerWaalsContact O-CE2 3.27Å; W640-Y644 WeakPolarHBondContact O-CE2 3.22Å; W640-Y644 PolarHBondContact O-OH 2.76Å
641P89Confident85.2Confident67 Ų6739.9 Ų39.944%0.43519%0.189SC..SBendtrans-61.4162162.7-23.136.7000111.9I554 I555 A557 H578I554-P641 CarbonylContact O-C 3.5Å; I554-P641 VanDerWaalsContact O-CA 3.29Å; I554-P641 WeakPolarHBondContact O-CA 3.27Å; I555-P641 WeakPolarHBondContact O-CB 3.46Å; A557-P641 HydrophobicContact CB-CG 4.28Å; H578-P641 PolarHBondContact NE2-O 2.9Å
642G90.6Very high85.5Confident12 Ų1242.7 Ų42.712%0.12420%0.201CC..EExtended strand (participates in β ladder)trans119.5-153.1179.600000112.7I554I554-G642 PolarHBondContact N-O 2.84Å; I554-G642 PolarHBondContact O-N 2.88Å
643F92.4Very high84.7Confident32 Ų3248.8 Ų48.814%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-105.4115.4-167.4-57.5-85.3000110.4V551 E553 H578 S579 R581 A582 P583V551-F643 HydrophobicContact CG1-CB 4.26Å; V551-F643 HydrophobicContact CG1-CD1 3.94Å; E553-F643 HydrophobicContact CB-CD1 4.09Å; E553-F643 HydrophobicContact CB-CE1 3.9Å; E553-F643 HydrophobicContact CG-CD1 4.24Å; E553-F643 HydrophobicContact CG-CE1 3.71Å; E553-F643 HydrophobicContact CG-CZ 4.21Å; H578-F643 CarbonylContact C-O 3.55Å; H578-F643 WeakPolarHBondContact CA-O 3.34Å; S579-F643 PolarHBondContact N-O 2.98Å; S579-F643 PolarHBondContact O-N 2.83Å; R581-F643 WeakPolarHBondContact O-CD2 3.29Å; A582-F643 HydrophobicContact CB-CD2 4.33Å; A582-F643 HydrophobicContact CB-CE1 3.98Å; A582-F643 HydrophobicContact CB-CE2 3.79Å; A582-F643 HydrophobicContact CB-CZ 3.6Å; A582-F643 VanDerWaalsContact N-CE2 3.31Å; P583-F643 HydrophobicContact CG-CB 4.44Å
644Y93.5Very high83.4Confident2 Ų251.2 Ų51.21%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-92138.5170-73.5-103000109.4V551 I552 I554 I561 I576 Y577 H578 V620 H636 T638 R639 W640V551-Y644 WeakPolarHBondContact CA-O 3.47Å; I552-Y644 PolarHBondContact N-O 3.3Å; I552-Y644 PolarHBondContact O-N 2.84Å; I554-Y644 HydrophobicContact CB-CD2 4.03Å; I554-Y644 HydrophobicContact CB-CE2 4.08Å; I554-Y644 HydrophobicContact CG1-CD2 3.43Å; I554-Y644 VanDerWaalsContact CG1-CD2 3.43Å; I554-Y644 HydrophobicContact CG1-CE2 3.85Å; I554-Y644 HydrophobicContact CG1-CG 4.35Å; I554-Y644 HydrophobicContact CG2-CE2 4.38Å; I561-Y644 VanDerWaalsContact CD1-CB 3.5Å; I561-Y644 HydrophobicContact CD1-CD1 3.79Å; I561-Y644 HydrophobicContact CD1-CD2 4.02Å; I561-Y644 HydrophobicContact CD1-CG 3.49Å; I561-Y644 VanDerWaalsContact CD1-CG 3.49Å; I576-Y644 HydrophobicContact CG2-CD1 4.25Å; Y577-Y644 CarbonylContact O-C 3.58Å; Y577-Y644 WeakPolarHBondContact O-CA 3.43Å; H578-Y644 HydrophobicContact CB-CD1 4.31Å; H578-Y644 HydrophobicContact CB-CE1 4.1Å; H578-Y644 AromaticContact CD2-CD2 3.85Å; H578-Y644 AromaticContact CD2-CE2 3.46Å; H578-Y644 VanDerWaalsContact CD2-CE2 3.46Å; H578-Y644 WeakPolarHBondContact CD2-CE2 3.4Å; H578-Y644 AromaticContact CD2-CZ 3.64Å; V620-Y644 HydrophobicContact CG1-CD1 4.5Å; V620-Y644 HydrophobicContact CG1-CE1 4.07Å; V620-Y644 HydrophobicContact CG2-CD1 4.2Å; V620-Y644 HydrophobicContact CG2-CE1 4.01Å; H636-Y644 AromaticContact CD2-CE1 3.89Å; H636-Y644 AromaticContact NE2-CE1 4Å; T638-Y644 WeakPolarHBondContact CA-OH 3.42Å; T638-Y644 WeakPolarHBondContact CB-OH 3.42Å; T638-Y644 HydrophobicContact CG2-CD2 4.21Å; T638-Y644 HydrophobicContact CG2-CE1 4.28Å; T638-Y644 HydrophobicContact CG2-CE2 3.73Å; R639-Y644 PolarHBondContact N-OH 2.87Å; R639-Y644 VanDerWaalsContact N-OH 3.17Å; W640-Y644 PolarHBondContact N-OH 3.48Å; W640-Y644 VanDerWaalsContact O-CE2 3.27Å; W640-Y644 WeakPolarHBondContact O-CE2 3.22Å; W640-Y644 PolarHBondContact O-OH 2.76Å
645I92.9Very high81.8Confident0 Ų054.9 Ų54.90%028%0.28CS..EExtended strand (participates in β ladder)trans-122.5110.7-176.2-38.8-176.2000108.3E549 L550 V551 I576 Y577 P583 I607E549-I645 HydrophobicContact CB-CG2 4.06Å; E549-I645 HydrophobicContact CG-CG2 4.28Å; L550-I645 WeakPolarHBondContact O-CA 3.42Å; V551-I645 HydrophobicContact CG2-CG1 4.16Å; V551-I645 HydrophobicContact CG2-CG2 4.11Å; I576-I645 WeakPolarHBondContact CA-O 3.46Å; Y577-I645 PolarHBondContact N-O 3.13Å; Y577-I645 PolarHBondContact O-N 3.21Å; P583-I645 HydrophobicContact CG-CD1 3.79Å; P583-I645 HydrophobicContact CG-CG1 4.4Å; I607-I645 HydrophobicContact CD1-CD1 4.08Å; I607-I645 HydrophobicContact CD1-CG2 4.38Å; I607-I645 HydrophobicContact CG1-CD1 3.71Å; I607-I645 HydrophobicContact CG1-CG2 4.44Å
646L93.6Very high79.8Confident0 Ų060.2 Ų60.20%032%0.316CS..EExtended strand (participates in β ladder)trans-89.5115.1173.4-84.463.9000107.5E549 L550 I552 I561 W563 F574 I576 W648 T684E549-L646 WeakPolarHBondContact CA-O 3.3Å; L550-L646 HydrophobicContact CB-CB 4.37Å; L550-L646 PolarHBondContact N-O 2.9Å; L550-L646 PolarHBondContact O-N 3.39Å; I552-L646 HydrophobicContact CD1-CD1 4.03Å; I552-L646 HydrophobicContact CD1-CD2 4.29Å; I561-L646 HydrophobicContact CG2-CD1 4.39Å; I561-L646 HydrophobicContact CG2-CD2 4.48Å; W563-L646 HydrophobicContact CB-CD2 4.2Å; F574-L646 HydrophobicContact CE2-CB 4.01Å; F574-L646 HydrophobicContact CE2-CD2 4.2Å; F574-L646 HydrophobicContact CE2-CG 4.03Å; F574-L646 HydrophobicContact CZ-CB 4.35Å; F574-L646 HydrophobicContact CZ-CD2 3.94Å; F574-L646 HydrophobicContact CZ-CG 3.84Å; I576-L646 HydrophobicContact CG1-CG 4.48Å; I576-L646 HydrophobicContact CG2-CD1 4.27Å; L646-W648 HydrophobicContact CB-CH2 4.09Å; L646-W648 HydrophobicContact CB-CZ3 4.11Å; L646-W648 HydrophobicContact CD2-CH2 4.47Å; L646-T684 HydrophobicContact CD2-CG2 3.7Å
647Q93.1Very high77.6Confident12 Ų1265.9 Ų65.96%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-117.3117.7-174.3-177.7-170.88900111P547 H548 E549 F574 N575 Y577P547-Q647 HydrophobicContact CB-CG 3.7Å; P547-Q647 HydrophobicContact CG-CG 4.36Å; H548-Q647 WeakPolarHBondContact O-CA 3.4Å; E549-Q647 HydrophobicContact CG-CB 3.99Å; E549-Q647 HydrophobicContact CG-CG 3.73Å; E549-Q647 PolarHBondContact OE1-NE2 2.86Å; F574-Q647 CarbonylContact C-O 3.51Å; F574-Q647 WeakPolarHBondContact CA-O 3.42Å; N575-Q647 HydrophobicContact CB-CB 4.31Å; N575-Q647 PolarHBondContact N-O 2.78Å; N575-Q647 PolarHBondContact ND2-O 2.85Å; N575-Q647 PolarHBondContact O-N 2.82Å; Y577-Q647 HydrophobicContact CD2-CB 4.32Å; Y577-Q647 HydrophobicContact CE2-CB 3.91Å; Y577-Q647 HydrophobicContact CE2-CG 4.48Å
648W93.8Very high75.9Confident0 Ų067.2 Ų67.20%038%0.375CS..EExtended strand (participates in β ladder)trans-95119.1165.1-61.3-96.5000109.3I542 P547 H548 L550 F565 F574 L646 V680 F682I542-W648 HydrophobicContact CD1-CB 3.63Å; I542-W648 HydrophobicContact CD1-CG 4.45Å; I542-W648 HydrophobicContact CG1-CB 3.97Å; P547-W648 WeakPolarHBondContact CA-O 3.4Å; P547-W648 WeakPolarHBondContact CB-O 3.25Å; H548-W648 AromaticContact CD2-CE3 3.91Å; H548-W648 PolarHBondContact N-O 2.88Å; H548-W648 PolarHBondContact O-N 2.88Å; L550-W648 HydrophobicContact CB-CZ3 4.01Å; F565-W648 HydrophobicContact CD1-CZ2 4.03Å; F565-W648 AromaticContact CD1-NE1 3.4Å; F565-W648 AromaticContact CD2-NE1 3.58Å; F565-W648 AromaticContact CE1-NE1 3.53Å; F565-W648 AromaticContact CE2-NE1 3.72Å; F565-W648 HydrophobicContact CG-CZ2 4.43Å; F565-W648 AromaticContact CG-NE1 3.43Å; F565-W648 AromaticContact CZ-NE1 3.68Å; F574-W648 AromaticContact CD2-CD1 3.8Å; F574-W648 HydrophobicContact CD2-CD2 4.06Å; F574-W648 AromaticContact CD2-CE2 3.65Å; F574-W648 HydrophobicContact CD2-CG 4.16Å; F574-W648 HydrophobicContact CD2-CZ2 4.15Å; F574-W648 AromaticContact CD2-NE1 3.45Å; F574-W648 HydrophobicContact CE2-CD2 4.29Å; F574-W648 AromaticContact CE2-CE2 3.69Å; F574-W648 HydrophobicContact CE2-CH2 4.28Å; F574-W648 AromaticContact CE2-CZ2 3.69Å; F574-W648 HydrophobicContact CE2-CZ2 3.69Å; F574-W648 AromaticContact CE2-NE1 3.91Å; L646-W648 HydrophobicContact CB-CH2 4.09Å; L646-W648 HydrophobicContact CB-CZ3 4.11Å; L646-W648 HydrophobicContact CD2-CH2 4.47Å; W648-V680 HydrophobicContact CG-CG2 4.28Å; W648-F682 HydrophobicContact CH2-CB 4.16Å; W648-F682 HydrophobicContact CH2-CD1 4.4Å; W648-F682 AromaticContact CH2-CD2 3.55Å; W648-F682 HydrophobicContact CH2-CD2 3.55Å; W648-F682 HydrophobicContact CH2-CE2 4Å; W648-F682 AromaticContact CH2-CG 3.78Å; W648-F682 HydrophobicContact CH2-CG 3.78Å; W648-F682 HydrophobicContact CZ2-CB 3.73Å; W648-F682 HydrophobicContact CZ2-CD2 4.04Å; W648-F682 AromaticContact CZ2-CG 3.85Å; W648-F682 HydrophobicContact CZ2-CG 3.85Å; W648-F682 HydrophobicContact CZ3-CD2 4.27Å; W648-F682 HydrophobicContact CZ3-CE2 4.32Å; W648-F682 HydrophobicContact CZ3-CG 4.45Å
649K91.6Very high73.7Confident105 Ų10572.3 Ų72.346%0.45741%0.406SS..EExtended strand (participates in β ladder)trans-121.4144-175.3-175175.9179.6177.60110.5P547 I572 V573 H651P547-K649 HydrophobicContact CB-CB 4.23Å; P547-K649 HydrophobicContact CB-CG 4.42Å; I572-K649 CarbonylContact C-O 3.57Å; I572-K649 VanDerWaalsContact CA-O 3.24Å; I572-K649 WeakPolarHBondContact CA-O 3.48Å; I572-K649 WeakPolarHBondContact CB-O 3.37Å; V573-K649 PolarHBondContact N-O 3.21Å; V573-K649 PolarHBondContact O-N 3.17Å; K649-H651 PolarHBondContact O-N 3.32Å
650F89.4Confident71.7Confident32 Ų3271.7 Ų71.714%0.1442%0.417CS..EExtended strand (participates in β ladder)trans-59.3127.8175.1-171.7-83.2000111.3I542 K544 N652 S675 C678I542-F650 HydrophobicContact CG2-CB 4.3Å; K544-F650 HydrophobicContact CB-CD1 4.14Å; K544-F650 HydrophobicContact CB-CD2 4.35Å; K544-F650 HydrophobicContact CB-CE1 4.45Å; K544-F650 HydrophobicContact CB-CG 4.11Å; K544-F650 HydrophobicContact CD-CE1 4.4Å; K544-F650 HydrophobicContact CG-CD1 4.21Å; F650-N652 PolarHBondContact O-N 3.46Å; F650-S675 WeakPolarHBondContact CE2-O 3.45Å; F650-S675 WeakPolarHBondContact CZ-O 3.37Å; F650-C678 WeakPolarHBondContact CD2-SG 3.44Å; F650-C678 VanDerWaalsContact CE2-SG 3.51Å
651H87.3Confident69.8Low44 Ų4470.8 Ų70.820%0.20442%0.423CS..  trans-83113.3174.1-172.379.5000110.4D571 V573 K649 M653D571-H651 HydrophobicContact CB-CB 3.88Å; D571-H651 WeakPolarHBondContact O-CB 3.46Å; D571-H651 PolarHBondContact O-N 2.88Å; D571-H651 VanDerWaalsContact O-N 3.09Å; V573-H651 HydrophobicContact CG2-CB 4.01Å; V573-H651 VanDerWaalsContact CG2-ND1 3.3Å; V573-H651 WeakPolarHBondContact CG2-ND1 3.24Å; K649-H651 PolarHBondContact O-N 3.32Å; H651-M653 PolarHBondContact O-N 3.09Å
652N74.5Confident67.5Low87 Ų8772.5 Ų72.547%0.46543%0.434SS..  trans-83.9109.5167.6-80.8-31.8000108.8K544 F650K544-N652 WeakPolarHBondContact CE-OD1 3.43Å; K544-N652 PolarHBondContact NZ-OD1 3.49Å; K544-N652 VanDerWaalsContact NZ-OD1 3.14Å; F650-N652 PolarHBondContact O-N 3.46Å
653M59.1Low65.7Low140 Ų14079.6 Ų79.669%0.6946%0.457SS*.PPolyproline II helixtrans-56.5129.3159.6-75.7-71.7-85.100109H651 A655H651-M653 PolarHBondContact O-N 3.09Å; M653-A655 PolarHBondContact O-N 3.37Å
654P45.3Very low63.7Low109 Ų10983.4 Ų83.471%0.70848%0.483SS*.PPolyproline II helixtrans-62.9125.8171.1-1931.5000109.3C656P654-C656 PolarHBondContact O-N 3.26Å
655A40.8Very low61.6Low95 Ų9588.7 Ų88.779%0.78551%0.511SS*.PPolyproline II helixtrans-60.5128.3166.400000108M653 S657M653-A655 PolarHBondContact O-N 3.37Å; A655-S657 PolarHBondContact O-N 2.9Å
656C34.3Very low59.4Low122 Ų12293 Ų9382%0.82453%0.534SS*.  trans-54.6115.4-178.9-69.20000110.1P654 A658P654-C656 PolarHBondContact O-N 3.26Å; C656-A658 PolarHBondContact O-N 3.36Å
657S36.1Very low57.1Low133 Ų13396.5 Ų96.593%0.9356%0.555SS**  trans-76.255.918045.10000112.2A655A655-S657 PolarHBondContact O-N 2.9Å
658A41.4Very low54.8Low70 Ų70100.5 Ų100.558%0.57958%0.576SS**  trans-137.7118.5175.700000111C656C656-A658 PolarHBondContact O-N 3.36Å
659T38.3Very low52.5Low108 Ų108103.2 Ų103.266%0.66360%0.599SS**  trans81.6123.1175.8710000117.4L661T659-L661 VanDerWaalsContact C-N 3.26Å; T659-L661 PolarHBondContact O-N 2.84Å; T659-L661 VanDerWaalsContact O-N 3.09Å
660N42.7Very low50.1Low176 Ų176103.7 Ų103.794%0.94161%0.611SS**SBendtrans-8343.8-175.1-75.5-38.9000113.7
661L44.9Very low47.7Very low141 Ų141108 Ų10874%0.73864%0.635SS**SBendtrans-142.1121.8174.9-91.6139.1000108.9T659 R663T659-L661 VanDerWaalsContact C-N 3.26Å; T659-L661 PolarHBondContact O-N 2.84Å; T659-L661 VanDerWaalsContact O-N 3.09Å; L661-R663 PolarHBondContact O-N 2.92Å
662P41.6Very low45.5Very low102 Ų102112.2 Ų112.266%0.66266%0.655SS**  trans-64.4127.517627.6-33.1000109.2
663R52.5Low43.8Very low162 Ų162114.7 Ų114.761%0.61167%0.673SS**  trans-75.2157.4172.4-69.5-179.2174.7163.7-0.2109.2L661 D665 D666 V667L661-R663 PolarHBondContact O-N 2.92Å; R663-D665 PolarHBondContact O-N 2.85Å; R663-D666 PolarHBondContact N-OD2 2.81Å; R663-D666 WeakPolarHBondContact O-CB 3.41Å; R663-D666 PolarHBondContact O-N 3.4Å; R663-V667 PolarHBondContact O-N 3.18Å
664V50.6Low43.1Very low111 Ų111111.2 Ų111.267%0.67366%0.662SS**Hα-helixtrans-58.1-31.8176.7-1760000110.6D666 V667 L668V664-D666 PolarHBondContact O-N 2.82Å; V664-V667 PolarHBondContact O-N 3.36Å; V664-L668 HydrophobicContact CG1-CD1 4.11Å; V664-L668 WeakPolarHBondContact O-CG 3.36Å; V664-L668 PolarHBondContact O-N 3.5Å
665D49Very low43.5Very low113 Ų113109 Ų10960%0.60465%0.649SS**Hα-helixtrans-64.1-35174.2-53.7-53.6000113.4R663 V667 L668 A669R663-D665 PolarHBondContact O-N 2.85Å; D665-V667 VanDerWaalsContact C-N 3.33Å; D665-V667 PolarHBondContact O-N 3.32Å; D665-L668 PolarHBondContact O-N 3.4Å; D665-A669 VanDerWaalsContact O-CB 3.26Å; D665-A669 WeakPolarHBondContact O-CB 3.49Å; D665-A669 PolarHBondContact O-N 2.82Å
666D46.7Very low44.7Very low90 Ų90110 Ų11048%0.48164%0.637SS.*Hα-helixtrans-68.6-35.1177.3-59.3-50000111.3R663 V664 T670R663-D666 PolarHBondContact N-OD2 2.81Å; R663-D666 WeakPolarHBondContact O-CB 3.41Å; R663-D666 PolarHBondContact O-N 3.4Å; V664-D666 PolarHBondContact O-N 2.82Å; D666-T670 PolarHBondContact O-N 2.82Å; D666-T670 VanDerWaalsContact O-N 3.11Å; D666-T670 PolarHBondContact O-OG1 2.86Å
667V45.8Very low46.8Very low74 Ų74108.6 Ų108.645%0.44862%0.617SS.*Hα-helixtrans-72.4-39175.4-176.60000110.8R663 V664 D665 T670 L671R663-V667 PolarHBondContact O-N 3.18Å; V664-V667 PolarHBondContact O-N 3.36Å; D665-V667 VanDerWaalsContact C-N 3.33Å; D665-V667 PolarHBondContact O-N 3.32Å; V667-T670 WeakPolarHBondContact CA-OG1 3.34Å; V667-T670 PolarHBondContact O-N 3.04Å; V667-T670 PolarHBondContact O-OG1 2.73Å; V667-T670 VanDerWaalsContact O-OG1 3.1Å; V667-L671 HydrophobicContact CG1-CD1 4.22Å; V667-L671 WeakPolarHBondContact O-CG 3.36Å; V667-L671 PolarHBondContact O-N 2.82Å
668L44.2Very low49.3Very low96 Ų96102.3 Ų102.350%0.50357%0.573SS.*Hα-helixtrans-67.9-37.7173.9-73.3166.8000112.1V664 D665 T670 L671 Q672V664-L668 HydrophobicContact CG1-CD1 4.11Å; V664-L668 WeakPolarHBondContact O-CG 3.36Å; V664-L668 PolarHBondContact O-N 3.5Å; D665-L668 PolarHBondContact O-N 3.4Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.73Å; L668-L671 PolarHBondContact O-N 3.09Å; L668-L671 VanDerWaalsContact O-N 3.16Å; L668-Q672 PolarHBondContact O-N 3.29Å; L668-Q672 VanDerWaalsContact O-N 3.08Å
669A45.8Very low51.3Low57 Ų57103.2 Ų103.247%0.47156%0.564SS.*Hα-helixtrans-66.3-29.2173.900000113.1D665D665-A669 VanDerWaalsContact O-CB 3.26Å; D665-A669 WeakPolarHBondContact O-CB 3.49Å; D665-A669 PolarHBondContact O-N 2.82Å
670T41.9Very low53.5Low116 Ų11698 Ų9871%0.71253%0.532SS*.Hα-helixtrans-80.7-20.6171290000113.8D666 V667 L668D666-T670 PolarHBondContact O-N 2.82Å; D666-T670 VanDerWaalsContact O-N 3.11Å; D666-T670 PolarHBondContact O-OG1 2.86Å; V667-T670 WeakPolarHBondContact CA-OG1 3.34Å; V667-T670 PolarHBondContact O-N 3.04Å; V667-T670 PolarHBondContact O-OG1 2.73Å; V667-T670 VanDerWaalsContact O-OG1 3.1Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.73Å
671L37.9Very low55.1Low123 Ų12392.1 Ų92.164%0.64450%0.5SS*.Hα-helixtrans-83.6-18173.1-73.7164.6000113.4V667 L668 V673V667-L671 HydrophobicContact CG1-CD1 4.22Å; V667-L671 WeakPolarHBondContact O-CG 3.36Å; V667-L671 PolarHBondContact O-N 2.82Å; L668-L671 PolarHBondContact O-N 3.09Å; L668-L671 VanDerWaalsContact O-N 3.16Å; L671-V673 PolarHBondContact O-N 3.14Å; L671-V673 VanDerWaalsContact O-N 3.14Å
672Q42Very low56.7Low132 Ų13285.5 Ų85.562%0.61747%0.465SS*.  trans-77.794.1170.8-75.7-170.4-19.400111.6L668 S674L668-Q672 PolarHBondContact O-N 3.29Å; L668-Q672 VanDerWaalsContact O-N 3.08Å; Q672-S674 PolarHBondContact O-N 3.01Å
673V39.6Very low58.4Low139 Ų13982.3 Ų82.384%0.84244%0.44SS*.THydrogen-bonded Turntrans-62.36.4178.6-174.50000114L671L671-V673 PolarHBondContact O-N 3.14Å; L671-V673 VanDerWaalsContact O-N 3.14Å
674S42.5Very low59.6Low67 Ų6776 Ų7647%0.46942%0.419SS..THydrogen-bonded Turntrans-95.2-11.4-167.457.90000116.3K569 Q672K569-S674 PolarHBondContact NZ-O 2.97Å; Q672-S674 PolarHBondContact O-N 3.01Å
675S54.3Low61Low62 Ų6272.3 Ų72.343%0.43440%0.395SS..SBendtrans-104.9-2.5-163.768.60000117.2F650 K677F650-S675 WeakPolarHBondContact CE2-O 3.45Å; F650-S675 WeakPolarHBondContact CZ-O 3.37Å; S675-K677 VanDerWaalsContact C-N 3.3Å; S675-K677 PolarHBondContact O-N 3.08Å
676H66.3Low62.3Low116 Ų11669.9 Ų69.954%0.53738%0.384SS..SBendtrans-85.26.9-177.9-64.6-22.7000115.6K544K544-H676 PolarHBondContact N-O 2.84Å
677K79.6Confident63.4Low93 Ų9365.9 Ų65.940%0.40436%0.362SS..EExtended strand (participates in β ladder)trans-135.1112.8-173.1-176.4-175.5-174.8-177.10110.7S541 I542 F543 S675S541-K677 WeakPolarHBondContact OG-CE 3.26Å; S541-K677 PolarHBondContact OG-NZ 3.48Å; I542-K677 WeakPolarHBondContact O-CA 3.14Å; F543-K677 HydrophobicContact CD1-CB 4.04Å; F543-K677 HydrophobicContact CD1-CG 4.12Å; F543-K677 HydrophobicContact CE1-CB 3.91Å; F543-K677 HydrophobicContact CE1-CD 3.79Å; F543-K677 HydrophobicContact CE1-CG 3.68Å; F543-K677 HydrophobicContact CZ-CD 3.9Å; F543-K677 HydrophobicContact CZ-CG 3.99Å; S675-K677 VanDerWaalsContact C-N 3.3Å; S675-K677 PolarHBondContact O-N 3.08Å
678C87.4Confident64.4Low1 Ų163.2 Ų63.21%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-89.7158.3166.2-520000110S541 I542 K569 G570 D571 I572 F650S541-C678 CarbonylContact C-O 3.55Å; S541-C678 WeakPolarHBondContact CA-O 3.01Å; I542-C678 HydrophobicContact CB-CB 4.31Å; I542-C678 PolarHBondContact N-O 2.82Å; I542-C678 PolarHBondContact O-N 3.33Å; K569-C678 CarbonylContact O-C 3.35Å; K569-C678 WeakPolarHBondContact O-CA 3.37Å; K569-C678 WeakPolarHBondContact O-CB 3.4Å; G570-C678 VanDerWaalsContact C-SG 3.55Å; D571-C678 PolarHBondContact O-SG 3.08Å; I572-C678 HydrophobicContact CG2-CB 3.52Å; F650-C678 WeakPolarHBondContact CD2-SG 3.44Å; F650-C678 VanDerWaalsContact CE2-SG 3.51Å
679K83.8Confident65.5Low88 Ų8859.5 Ų59.538%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-133.9133.9174.6-173.2-174.3177.5-170.50109S539 A540 C568 K569S539-K679 WeakPolarHBondContact OG-CE 3.4Å; A540-K679 WeakPolarHBondContact O-CA 3.16Å; C568-K679 HydrophobicContact CB-CB 4.26Å; C568-K679 HydrophobicContact CB-CD 4.25Å; C568-K679 HydrophobicContact CB-CG 4.24Å; C568-K679 PolarHBondContact N-O 3.43Å; K569-K679 HydrophobicContact CB-CB 4.01Å; K569-K679 PolarHBondContact N-O 3.14Å; K569-K679 VanDerWaalsContact N-O 3.09Å; K569-K679 PolarHBondContact O-N 2.92Å
680V83.6Confident66Low0 Ų061 Ų610%033%0.329CS..EExtended strand (participates in β ladder)trans-123.3152.1171-60.40000110.4S539 A540 I542 D566 I572 W648 F682S539-V680 WeakPolarHBondContact CA-O 3.3Å; S539-V680 PolarHBondContact OG-O 2.97Å; A540-V680 HydrophobicContact CB-CG2 3.8Å; A540-V680 PolarHBondContact N-O 3.32Å; A540-V680 PolarHBondContact O-N 3.08Å; I542-V680 HydrophobicContact CD1-CB 4.29Å; I542-V680 HydrophobicContact CD1-CG1 3.72Å; I542-V680 HydrophobicContact CD1-CG2 3.67Å; D566-V680 WeakPolarHBondContact O-CA 3.41Å; I572-V680 HydrophobicContact CG1-CG1 4.33Å; W648-V680 HydrophobicContact CG-CG2 4.28Å; V680-F682 HydrophobicContact CG2-CD1 4.11Å
681M76.6Confident66.4Low52 Ų5256.9 Ų56.926%0.25630%0.303SS..EExtended strand (participates in β ladder)trans-114.6120.3164.6-73-72.5-71.900106.8Q538 S539 F565 D566 C568Q538-M681 CarbonylContact O-C 3.46Å; Q538-M681 WeakPolarHBondContact O-CA 3.38Å; S539-M681 WeakPolarHBondContact CB-SD 3.5Å; S539-M681 PolarHBondContact OG-SD 2.78Å; F565-M681 CarbonylContact C-O 3.37Å; F565-M681 WeakPolarHBondContact CA-O 3.47Å; F565-M681 WeakPolarHBondContact CB-O 3.09Å; D566-M681 PolarHBondContact N-O 2.7Å; D566-M681 PolarHBondContact O-N 2.71Å; C568-M681 WeakPolarHBondContact SG-CG 3.39Å
682F78.6Confident67.1Low2 Ų251.3 Ų51.31%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-134.2149.7-172.571.1-85.3000112.8Y537 Q538 A540 H548 L550 D564 F565 W648 V680 T684Y537-F682 CarbonylContact C-O 3.57Å; Y537-F682 WeakPolarHBondContact CA-O 3.07Å; Q538-F682 HydrophobicContact CB-CD1 4.28Å; Q538-F682 HydrophobicContact CB-CE1 3.79Å; Q538-F682 HydrophobicContact CB-CE2 4.05Å; Q538-F682 HydrophobicContact CB-CZ 3.67Å; Q538-F682 HydrophobicContact CG-CZ 4.46Å; Q538-F682 PolarHBondContact N-O 3.41Å; Q538-F682 WeakPolarHBondContact O-CD1 3.42Å; Q538-F682 PolarHBondContact O-N 3.5Å; A540-F682 HydrophobicContact CB-CD1 4.34Å; A540-F682 HydrophobicContact CB-CE1 3.83Å; H548-F682 AromaticContact NE2-CE1 3.78Å; H548-F682 AromaticContact NE2-CZ 3.64Å; L550-F682 HydrophobicContact CD2-CE2 4.11Å; D564-F682 CarbonylContact O-C 3.58Å; D564-F682 WeakPolarHBondContact O-CA 3.16Å; F565-F682 HydrophobicContact CB-CB 3.52Å; W648-F682 HydrophobicContact CH2-CB 4.16Å; W648-F682 HydrophobicContact CH2-CD1 4.4Å; W648-F682 AromaticContact CH2-CD2 3.55Å; W648-F682 HydrophobicContact CH2-CD2 3.55Å; W648-F682 HydrophobicContact CH2-CE2 4Å; W648-F682 AromaticContact CH2-CG 3.78Å; W648-F682 HydrophobicContact CH2-CG 3.78Å; W648-F682 HydrophobicContact CZ2-CB 3.73Å; W648-F682 HydrophobicContact CZ2-CD2 4.04Å; W648-F682 AromaticContact CZ2-CG 3.85Å; W648-F682 HydrophobicContact CZ2-CG 3.85Å; W648-F682 HydrophobicContact CZ3-CD2 4.27Å; W648-F682 HydrophobicContact CZ3-CE2 4.32Å; W648-F682 HydrophobicContact CZ3-CG 4.45Å; V680-F682 HydrophobicContact CG2-CD1 4.11Å; F682-T684 HydrophobicContact CD2-CG2 4.31Å
683Y78Confident67.2Low35 Ų3554.5 Ų54.514%0.13728%0.28CS..EExtended strand (participates in β ladder)trans-132.5143.1170.8172.9-108.5000108.4R420 I536 W563 D564 E685R420-Y683 PolarHBondContact NE-OH 2.75Å; R420-Y683 VanDerWaalsContact NE-OH 3.16Å; R420-Y683 PolarHBondContact NH2-OH 3.1Å; I536-Y683 HydrophobicContact CB-CD2 4.33Å; I536-Y683 VanDerWaalsContact O-CD2 3.29Å; I536-Y683 WeakPolarHBondContact O-CD2 3.11Å; W563-Y683 WeakPolarHBondContact CA-O 3.39Å; D564-Y683 PolarHBondContact N-O 2.96Å; D564-Y683 PolarHBondContact O-N 2.97Å; Y683-E685 HydrophobicContact CE1-CB 4.2Å; Y683-E685 WeakPolarHBondContact OH-CB 3.37Å; Y683-E685 WeakPolarHBondContact OH-CG 3.45Å; Y683-E685 PolarHBondContact OH-OE2 2.79Å
684T77.8Confident67.5Low28 Ų2850 Ų5017%0.17226%0.262CS..EExtended strand (participates in β ladder)trans-144.1141.8179.756.50000110.1L550 T562 W563 L646 F682L550-T684 HydrophobicContact CD2-CG2 3.76Å; L550-T684 VanDerWaalsContact CD2-OG1 3.25Å; L550-T684 WeakPolarHBondContact CD2-OG1 3.26Å; T562-T684 VanDerWaalsContact O-CA 3.25Å; T562-T684 WeakPolarHBondContact O-CA 3.26Å; W563-T684 HydrophobicContact CB-CG2 4Å; L646-T684 HydrophobicContact CD2-CG2 3.7Å; F682-T684 HydrophobicContact CD2-CG2 4.31Å
685E79.1Confident67.7Low34 Ų3447.2 Ų47.216%0.15924%0.242CC..EExtended strand (participates in β ladder)trans-133.6147176.6-151.7176.2-169.900110.1F138 R420 T562 Y683 L687F138-E685 WeakPolarHBondContact CA-OE1 3.48Å; R420-E685 IonicContact CZ-OE1 3.65Å; R420-E685 IonicContact NE-OE1 3.87Å; R420-E685 IonicContact NE-OE2 3.9Å; R420-E685 VanDerWaalsContact NH2-CD 3.35Å; R420-E685 IonicContact NH2-OE1 2.67Å; R420-E685 PolarHBondContact NH2-OE1 3.35Å; R420-E685 IonicContact NH2-OE2 3.86Å; T562-E685 PolarHBondContact N-O 3.18Å; T562-E685 PolarHBondContact O-N 2.72Å; T562-E685 WeakPolarHBondContact OG1-CB 3.44Å; T562-E685 PolarHBondContact OG1-O 3.06Å; Y683-E685 HydrophobicContact CE1-CB 4.2Å; Y683-E685 WeakPolarHBondContact OH-CB 3.37Å; Y683-E685 WeakPolarHBondContact OH-CG 3.45Å; Y683-E685 PolarHBondContact OH-OE2 2.79Å; E685-L687 HydrophobicContact CB-CD2 4.03Å; E685-L687 VanDerWaalsContact CD-CD2 3.5Å; E685-L687 HydrophobicContact CG-CD2 3.65Å
686V77.6Confident67.2Low62 Ų6248.2 Ų48.238%0.37624%0.241SC..EExtended strand (participates in β ladder)trans-107.4127.5166.2-177.90000107.7I552 I554I552-V686 HydrophobicContact CG2-CG2 3.17Å; I554-V686 HydrophobicContact CD1-CB 4.39Å; I554-V686 HydrophobicContact CD1-CG1 3.51Å; I554-V686 HydrophobicContact CD1-CG2 3.88Å
687L69.4Low65.9Low6 Ų647.5 Ų47.53%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-110.5122.7178.5-41.8-178.4000106.8F138 M415 S559 V560 T562 E685 F692F138-L687 HydrophobicContact CD1-CD1 4.26Å; F138-L687 HydrophobicContact CD1-CD2 3.63Å; F138-L687 HydrophobicContact CD1-CG 4.45Å; F138-L687 HydrophobicContact CE1-CB 4.26Å; F138-L687 HydrophobicContact CE1-CD1 4.08Å; F138-L687 HydrophobicContact CE1-CD2 3.9Å; F138-L687 HydrophobicContact CE1-CG 4.31Å; M415-L687 HydrophobicContact CE-CD1 3.31Å; S559-L687 CarbonylContact C-O 3.58Å; S559-L687 WeakPolarHBondContact CA-O 3.39Å; S559-L687 WeakPolarHBondContact CB-O 3.46Å; V560-L687 HydrophobicContact CB-CB 4.32Å; V560-L687 PolarHBondContact N-O 3.43Å; V560-L687 PolarHBondContact O-N 3.41Å; T562-L687 HydrophobicContact CG2-CD1 3.75Å; T562-L687 HydrophobicContact CG2-CG 4.3Å; E685-L687 HydrophobicContact CB-CD2 4.03Å; E685-L687 VanDerWaalsContact CD-CD2 3.5Å; E685-L687 HydrophobicContact CG-CD2 3.65Å; L687-F692 HydrophobicContact CB-CD2 4.44Å; L687-F692 HydrophobicContact CB-CE2 3.22Å; L687-F692 HydrophobicContact CB-CZ 3.43Å; L687-F692 VanDerWaalsContact CB-CZ 3.43Å; L687-F692 HydrophobicContact CD1-CE1 4.48Å; L687-F692 HydrophobicContact CD1-CE2 4.3Å; L687-F692 HydrophobicContact CD1-CZ 3.61Å; L687-F692 HydrophobicContact CG-CE2 4.39Å; L687-F692 HydrophobicContact CG-CZ 4.16Å
688G67.6Low64.1Low19 Ų1945.6 Ų45.620%0.19624%0.243CC..  trans-68.4150.4-167.100000112.3E690 D691 F692G688-E690 PolarHBondContact O-N 3.45Å; G688-E690 VanDerWaalsContact O-N 3.17Å; G688-D691 PolarHBondContact N-OD2 3.11Å; G688-D691 VanDerWaalsContact N-OD2 3.13Å; G688-D691 WeakPolarHBondContact O-CA 3.34Å; G688-D691 VanDerWaalsContact O-CB 3.26Å; G688-D691 WeakPolarHBondContact O-CB 3.39Å; G688-D691 PolarHBondContact O-N 3.06Å; G688-F692 VanDerWaalsContact O-CD2 3.25Å; G688-F692 WeakPolarHBondContact O-CD2 3.25Å
689S66.6Low61.9Low17 Ų1746.3 Ų46.312%0.11925%0.247CC..G310 helixtrans-60.5-28.5179.576.70000113.1D556 A557 A558 S559 D691 F692 R693D556-S689 WeakPolarHBondContact CB-OG 3.4Å; A557-S689 WeakPolarHBondContact O-CB 3.29Å; A557-S689 PolarHBondContact O-OG 3.08Å; A558-S689 VanDerWaalsContact C-CB 3.49Å; S559-S689 PolarHBondContact OG-N 2.83Å; S689-D691 PolarHBondContact O-N 3.46Å; S689-F692 PolarHBondContact O-N 2.93Å; S689-R693 PolarHBondContact O-N 2.65Å
690E56.9Low59.6Low89 Ų8950.9 Ų50.942%0.41627%0.27SS..G310 helixtrans-64.7-18.1172.367.1175.215400113.5N104 R105 G688N104-E690 PolarHBondContact ND2-OE2 3.16Å; R105-E690 PolarHBondContact NH2-O 3.14Å; G688-E690 PolarHBondContact O-N 3.45Å; G688-E690 VanDerWaalsContact O-N 3.17Å
691D49.4Very low57.4Low30 Ų3052.7 Ų52.716%0.1628%0.282CS..G310 helixtrans-81-17.4176.4-58.5-39.8000113.4R105 F138 G688 S689R105-D691 IonicContact CZ-OD1 3.72Å; R105-D691 VanDerWaalsContact CZ-OD1 3.26Å; R105-D691 IonicContact NE-OD1 2.72Å; R105-D691 PolarHBondContact NE-OD1 2.78Å; R105-D691 IonicContact NH2-OD1 3.06Å; R105-D691 PolarHBondContact NH2-OD1 3.29Å; F138-D691 HydrophobicContact CZ-CB 4.32Å; G688-D691 PolarHBondContact N-OD2 3.11Å; G688-D691 VanDerWaalsContact N-OD2 3.13Å; G688-D691 WeakPolarHBondContact O-CA 3.34Å; G688-D691 VanDerWaalsContact O-CB 3.26Å; G688-D691 WeakPolarHBondContact O-CB 3.39Å; G688-D691 PolarHBondContact O-N 3.06Å; S689-D691 PolarHBondContact O-N 3.46Å
692F51.6Low55.3Low5 Ų554.5 Ų54.52%0.02230%0.3CS..THydrogen-bonded Turntrans-126.87.3-172.6-54.8-87.3000115.9F138 V455 V560 L687 G688 S689 G694 S695 M696F138-F692 HydrophobicContact CE1-CZ 4.03Å; F138-F692 HydrophobicContact CZ-CZ 4.42Å; V455-F692 HydrophobicContact CG2-CD1 4.26Å; V455-F692 HydrophobicContact CG2-CE1 3.87Å; V560-F692 HydrophobicContact CB-CE2 4.44Å; V560-F692 HydrophobicContact CG2-CD1 4.49Å; V560-F692 HydrophobicContact CG2-CD2 3.94Å; V560-F692 HydrophobicContact CG2-CE2 4.17Å; V560-F692 HydrophobicContact CG2-CG 4.15Å; L687-F692 HydrophobicContact CB-CD2 4.44Å; L687-F692 HydrophobicContact CB-CE2 3.22Å; L687-F692 HydrophobicContact CB-CZ 3.43Å; L687-F692 VanDerWaalsContact CB-CZ 3.43Å; L687-F692 HydrophobicContact CD1-CE1 4.48Å; L687-F692 HydrophobicContact CD1-CE2 4.3Å; L687-F692 HydrophobicContact CD1-CZ 3.61Å; L687-F692 HydrophobicContact CG-CE2 4.39Å; L687-F692 HydrophobicContact CG-CZ 4.16Å; G688-F692 VanDerWaalsContact O-CD2 3.25Å; G688-F692 WeakPolarHBondContact O-CD2 3.25Å; S689-F692 PolarHBondContact O-N 2.93Å; F692-G694 PolarHBondContact O-N 3.31Å; F692-S695 WeakPolarHBondContact O-CB 3.37Å; F692-S695 PolarHBondContact O-N 3.09Å; F692-M696 HydrophobicContact CB-CG 4.39Å; F692-M696 VanDerWaalsContact O-CG 3.32Å; F692-M696 WeakPolarHBondContact O-CG 3.4Å
693R45.3Very low53.2Low200 Ų20059.6 Ų59.676%0.75532%0.324SS*.THydrogen-bonded Turntrans-51.9113.1176.4-82.1-173.7166.4-165.4-2.7110.7S689S689-R693 PolarHBondContact O-N 2.65Å
694G45.5Very low51.2Low44 Ų4461.2 Ų61.245%0.45434%0.34SS..THydrogen-bonded Turntrans107.1-23-175.700000115.5R451 F692R451-G694 PolarHBondContact NH1-O 3.28Å; F692-G694 PolarHBondContact O-N 3.31Å
695S46.1Very low48.9Very low8 Ų862.7 Ų62.76%0.05636%0.361CS..THydrogen-bonded Turntrans-92.5-2.6-171.7179.30000114.9R451 F692 T697R451-S695 VanDerWaalsContact C-OG 3.27Å; R451-S695 WeakPolarHBondContact CB-O 3.32Å; R451-S695 VanDerWaalsContact CD-C 3.48Å; R451-S695 WeakPolarHBondContact CD-O 3.49Å; R451-S695 PolarHBondContact O-OG 3.22Å; F692-S695 WeakPolarHBondContact O-CB 3.37Å; F692-S695 PolarHBondContact O-N 3.09Å; S695-T697 PolarHBondContact O-N 3.45Å
696M44.5Very low46.8Very low83 Ų8368.4 Ų68.441%0.40939%0.385SS..THydrogen-bonded Turntrans-84.735.4-152.6-48.6179.4-59.100117.8A558 I637 F692A558-M696 HydrophobicContact CB-SD 3.8Å; I637-M696 HydrophobicContact CD1-CB 4.44Å; F692-M696 HydrophobicContact CB-CG 4.39Å; F692-M696 VanDerWaalsContact O-CG 3.32Å; F692-M696 WeakPolarHBondContact O-CG 3.4Å
697T39.1Very low44.5Very low102 Ų10269.6 Ų69.663%0.62640%0.396SS*.THydrogen-bonded Turntrans-131.316.4-177.91090000116.4R451 S695R451-T697 VanDerWaalsContact CZ-CB 3.43Å; R451-T697 PolarHBondContact NE-OG1 3.35Å; R451-T697 PolarHBondContact NH2-OG1 2.81Å; S695-T697 PolarHBondContact O-N 3.45Å
698S41.5Very low42.5Very low52 Ų5277 Ų7736%0.36443%0.43SS..SBendtrans-140.741.6177.868.80000112.6
699L41.3Very low40.6Very low16 Ų1681.6 Ų81.68%0.08445%0.45CS..  trans-128.235.1-178.5-55.8171.2000111.7M415 V560 I637M415-L699 HydrophobicContact CG-CD2 3.68Å; M415-L699 HydrophobicContact SD-CD2 3.93Å; V560-L699 HydrophobicContact CG1-CD1 4.45Å; V560-L699 HydrophobicContact CG2-CD1 3.86Å; I637-L699 HydrophobicContact CD1-CB 3.93Å; I637-L699 HydrophobicContact CD1-CD1 3.98Å; I637-L699 HydrophobicContact CD1-CG 4.43Å; I637-L699 HydrophobicContact CG1-CB 3.86Å; I637-L699 HydrophobicContact CG1-CD1 3.93Å
700E36.7Very low38.7Very low185 Ų18585.8 Ų85.886%0.86448%0.479SS*.  trans-70.2139.1162.7-67.8-166.9150.400108.8S702E700-S702 VanDerWaalsContact C-N 3.33Å; E700-S702 PolarHBondContact O-N 2.61Å
701S35.7Very low37.3Very low38 Ų3885.2 Ų85.227%0.26649%0.49SS..  trans-6886.6-178.132.30000110.9E621 H703E621-S701 PolarHBondContact OE1-OG 2.82Å; E621-S701 WeakPolarHBondContact OE2-CB 3.33Å; E621-S701 PolarHBondContact OE2-OG 3.09Å; S701-H703 PolarHBondContact O-N 2.96Å
702S34.2Very low36.3Very low90 Ų9087.6 Ų87.663%0.62951%0.514SS*.  trans-66.497.9171.558.90000109.8E700E700-S702 VanDerWaalsContact C-N 3.33Å; E700-S702 PolarHBondContact O-N 2.61Å
703H34.5Very low35.1Very low108 Ų10893.4 Ų93.450%0.555%0.55SS.*  trans-50.7148.2163.9-66.3-72.9000110.2S701 G705S701-H703 PolarHBondContact O-N 2.96Å; H703-G705 PolarHBondContact O-N 3.25Å
704S35.8Very low34.4Very low70 Ų7089.6 Ų89.649%0.4955%0.549SS..  trans-69.468.6165.442.20000110.7F706S704-F706 PolarHBondContact O-N 3.29Å
705G28.5Very low33.5Very low58 Ų5892.7 Ų92.760%0.59856%0.564SS**G310 helixtrans-66.316.9-178.500000115.7H703H703-G705 PolarHBondContact O-N 3.25Å
706F34.2Very low32.5Very low155 Ų15597.5 Ų97.568%0.6860%0.597SS**G310 helixtrans-86.5-13.9179.2-88.2-85.7000113.9S704 Q708 L709S704-F706 PolarHBondContact O-N 3.29Å; F706-Q708 PolarHBondContact O-N 3.04Å; F706-L709 HydrophobicContact CD1-CD1 3.79Å; F706-L709 HydrophobicContact CE1-CD1 3.72Å; F706-L709 PolarHBondContact O-N 3.19Å
707S31.1Very low31.7Very low86 Ų86100.5 Ų100.560%0.60162%0.615SS**G310 helixtrans-68.61.4176.4-57.70000115.2
708Q26.6Very low31.1Very low161 Ų161104.6 Ų104.675%0.75263%0.627SS**G310 helixtrans-105-15.8175.4-69.5-166.5-3.200114.6F706 S710 A711F706-Q708 PolarHBondContact O-N 3.04Å; Q708-S710 VanDerWaalsContact C-N 3.32Å; Q708-S710 PolarHBondContact O-N 3.33Å; Q708-A711 PolarHBondContact O-N 3.03Å
709L26.7Very low30.3Very low116 Ų116107.6 Ų107.661%0.60765%0.648SS**THydrogen-bonded Turntrans-75.6-17-176.9-86.6164000114.2F706F706-L709 HydrophobicContact CD1-CD1 3.79Å; F706-L709 HydrophobicContact CE1-CD1 3.72Å; F706-L709 PolarHBondContact O-N 3.19Å
710S27.6Very low29.5Very low105 Ų105115.9 Ų115.973%0.73469%0.686SS**THydrogen-bonded Turntrans-86-2.9175.844.70000114.6Q708Q708-S710 VanDerWaalsContact C-N 3.32Å; Q708-S710 PolarHBondContact O-N 3.33Å
711A27.6Very low28.9Very low78 Ų78113.4 Ų113.465%0.64569%0.687SS**THydrogen-bonded Turntrans-111.1-14.1179.600000114.4Q708Q708-A711 PolarHBondContact O-N 3.03Å
712A27.5Very low28.5Very low80 Ų80116.5 Ų116.566%0.66171%0.709SS**THydrogen-bonded Turntrans-86.5-9.6-171.100000114.9T714A712-T714 VanDerWaalsContact C-N 3.28Å; A712-T714 PolarHBondContact O-N 3.02Å
713T28Very low28.2Very low127 Ų127117.6 Ų117.678%0.77972%0.717SS**THydrogen-bonded Turntrans-82.16-172.2-2.70000115.1
714T29.2Very low27.8Very low120 Ų120120.5 Ų120.574%0.73673%0.733SS**SBendtrans-138.459.3-176.349.40000114.8A712A712-T714 VanDerWaalsContact C-N 3.28Å; A712-T714 PolarHBondContact O-N 3.02Å
715S26.4Very low27.6Very low108 Ų108124.1 Ų124.176%0.75575%0.745SS**  trans-177.7121.8138.8320000116.6
716S26.9Very low27.6Very low109 Ų109126.1 Ų126.176%0.76275%0.75SS**  trans47.6111.4143.159.80000123.4
717N27.2Very low27.5Very low146 Ų146133.5 Ų133.578%0.78177%0.773SS**  24.1142.9125-71.4-7.7000123.2
718H25.5Very low27.3Very low188 Ų188135.9 Ų135.987%0.8778%0.782SS**  trans71136.8172-61.8-73.9000114.7
719S25.5Very low27.3Very low115 Ų115134.5 Ų134.580%0.80478%0.783SS**  cis-154.6169.820.145.20000112.7
720Q25.1Very low27.4Very low191 Ų191135.6 Ų135.689%0.89379%0.793SS**  trans-76.1145.6174.8-60.8170.5-37.100112
721C24.2Very low27.4Very low132 Ų132137.4 Ų137.489%0.89280%0.797SS**  -175173.6118.1-144.30000113
722S26.7Very low27.3Very low103 Ų103141.1 Ų141.172%0.7281%0.806SS**  trans-113.9150.4-163.456.20000116.2
723S27.3Very low27.3Very low114 Ų114145.1 Ų145.180%0.79782%0.816SS**  trans179.4125.113847.80000109.3
724M27.1Very low27.3Very low168 Ų168146.4 Ų146.483%0.82882%0.819SS**  73103.971.4-86.1-157.6173.300117.5
725I30.2Very low27.1Very low146 Ų146148.5 Ų148.575%0.74983%0.825SS**  73.6145.5129.6-61.1171.8000120
726S29.7Very low27.2Very low101 Ų101151.8 Ų151.871%0.70683%0.831SS**  trans97127.4160.8-123.30000115.4
727R31Very low27.2Very low309 Ų309155.7 Ų155.7100%1.16684%0.837SS**  cis-156.600.2-148.9179.9-165.3176.75111.8

Retrieved 727 of 727 residues in 696.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).