A0A087XRJ7_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A087XRJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 679 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72Confident88.4Confident77 Ų7743 Ų4338%0.37919%0.194SC..  0143.60-153.8173.7-82.500109.2E102 I105 F136 T137 D138M1-E102 HydrophobicContact CB-CG 4.47Å; M1-E102 HydrophobicContact SD-CG 4.49Å; M1-I105 HydrophobicContact SD-CD1 4.37Å; M1-F136 HydrophobicContact CG-CB 3.89Å; M1-F136 HydrophobicContact CG-CD1 4.13Å; M1-F136 HydrophobicContact CG-CG 4.45Å; M1-F136 HydrophobicContact SD-CB 3.8Å; M1-F136 HydrophobicContact SD-CD1 4.17Å; M1-F136 HydrophobicContact SD-CG 4.21Å; M1-T137 CarbonylContact C-O 3.46Å; M1-T137 WeakPolarHBondContact CA-O 3.46Å; M1-D138 WeakPolarHBondContact CE-OD1 3.46Å
2K84.5Confident88.9Confident51 Ų5139.8 Ų39.822%0.22218%0.182CC..EExtended strand (participates in β ladder)trans-120.9141.3178.4-61.6-179.8-174.1163.60110.9D74 G75 K76 F136 T137 D139K2-D74 HydrophobicContact CD-CB 4.02Å; K2-G75 CarbonylContact C-O 3.57Å; K2-G75 WeakPolarHBondContact CA-O 3.23Å; K2-K76 HydrophobicContact CG-CG 4.24Å; K2-F136 CarbonylContact O-C 3.52Å; K2-F136 VanDerWaalsContact O-CA 3.25Å; K2-F136 WeakPolarHBondContact O-CA 3.25Å; K2-T137 PolarHBondContact N-O 3.14Å; K2-T137 PolarHBondContact O-N 2.78Å; K2-D139 WeakPolarHBondContact CE-OD1 3.41Å; K2-D139 IonicContact NZ-OD1 2.64Å
3F86.3Confident89.4Confident1 Ų142.5 Ų42.50%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-95.9133178.5179.1-111.5000111.7V72 D74 G75 F101 L132 F136F3-V72 HydrophobicContact CD1-CB 3.88Å; F3-V72 HydrophobicContact CD1-CG1 3.97Å; F3-V72 HydrophobicContact CE1-CB 4.09Å; F3-D74 PolarHBondContact O-N 2.64Å; F3-G75 PolarHBondContact N-O 3.26Å; F3-G75 PolarHBondContact O-N 3.33Å; F3-F101 HydrophobicContact CB-CB 4.27Å; F3-F101 HydrophobicContact CB-CD2 3.93Å; F3-F101 HydrophobicContact CB-CE2 4.47Å; F3-F101 HydrophobicContact CB-CG 4.1Å; F3-L132 HydrophobicContact CD1-CD2 4.23Å; F3-L132 HydrophobicContact CE1-CD2 3.77Å; F3-L132 HydrophobicContact CE2-CB 4.01Å; F3-L132 HydrophobicContact CE2-CD2 4.35Å; F3-L132 HydrophobicContact CZ-CB 3.96Å; F3-L132 HydrophobicContact CZ-CD2 3.83Å; F3-L132 HydrophobicContact CZ-CG 4.45Å; F3-F136 HydrophobicContact CB-CD1 4.06Å; F3-F136 HydrophobicContact CB-CE1 3.65Å; F3-F136 HydrophobicContact CB-CZ 4.17Å; F3-F136 HydrophobicContact CD2-CD1 4.25Å; F3-F136 HydrophobicContact CD2-CD2 4.14Å; F3-F136 AromaticContact CD2-CE1 3.77Å; F3-F136 HydrophobicContact CD2-CE1 3.77Å; F3-F136 AromaticContact CD2-CE2 3.63Å; F3-F136 HydrophobicContact CD2-CE2 3.63Å; F3-F136 HydrophobicContact CD2-CG 4.43Å; F3-F136 AromaticContact CD2-CZ 3.43Å; F3-F136 HydrophobicContact CD2-CZ 3.43Å; F3-F136 VanDerWaalsContact CD2-CZ 3.43Å; F3-F136 HydrophobicContact CE2-CE2 4.11Å; F3-F136 HydrophobicContact CE2-CZ 4.19Å; F3-F136 HydrophobicContact CG-CE1 4.1Å; F3-F136 HydrophobicContact CG-CZ 4.11Å
4N85.8Confident89.8Confident38 Ų3839.5 Ų39.520%0.20318%0.181CC..EExtended strand (participates in β ladder)trans-128.5111.6172.7-75-73.1000108.7V72 N73 D74 G134 S135N4-V72 CarbonylContact C-O 3.48Å; N4-V72 WeakPolarHBondContact CA-O 3.48Å; N4-N73 VanDerWaalsContact OD1-CA 3.31Å; N4-N73 WeakPolarHBondContact OD1-CA 3.05Å; N4-D74 PolarHBondContact ND2-OD1 3.43Å; N4-D74 PolarHBondContact OD1-N 2.9Å; N4-G134 WeakPolarHBondContact O-CA 3.22Å; N4-S135 PolarHBondContact N-O 3.42Å; N4-S135 PolarHBondContact O-N 2.8Å
5G87.8Confident90.1Very high16 Ų1639.7 Ų39.717%0.16518%0.183CC..EExtended strand (participates in β ladder)trans160.5-164.9-177.900000115V72 T133G5-V72 PolarHBondContact N-O 3.17Å; G5-V72 PolarHBondContact O-N 2.85Å; G5-T133 CarbonylContact C-O 3.55Å; G5-T133 WeakPolarHBondContact CA-O 3.45Å
6Y89.4Confident90.1Very high103 Ų10343.4 Ų43.440%0.40421%0.205SC..EExtended strand (participates in β ladder)trans-89.8127.2179.3-166.4-103.9000110.9K8 S69 N71 T133Y6-K8 HydrophobicContact CE1-CB 4.34Å; Y6-S69 WeakPolarHBondContact OH-CB 2.97Å; Y6-N71 WeakPolarHBondContact CD2-OD1 3.5Å; Y6-T133 PolarHBondContact N-O 3.46Å; Y6-T133 PolarHBondContact O-N 3.45Å
7L90Very high90.2Very high1 Ų140.9 Ų40.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-109.7128.6175.2164.665.3000108.9V45 S69 L70 V72 I78 F101 I130 L132L7-V45 HydrophobicContact CD2-CG2 3.77Å; L7-S69 VanDerWaalsContact O-CA 3.3Å; L7-S69 WeakPolarHBondContact O-CA 3.41Å; L7-L70 HydrophobicContact CB-CD2 4.06Å; L7-L70 HydrophobicContact CD2-CD2 3.76Å; L7-L70 HydrophobicContact CG-CD2 3.94Å; L7-L70 PolarHBondContact N-O 2.65Å; L7-L70 PolarHBondContact O-N 3.32Å; L7-V72 HydrophobicContact CB-CG2 3.78Å; L7-V72 HydrophobicContact CD2-CG2 3.96Å; L7-I78 HydrophobicContact CD2-CD1 4.02Å; L7-F101 HydrophobicContact CD1-CE1 4.43Å; L7-F101 HydrophobicContact CD2-CE1 4.3Å; L7-F101 HydrophobicContact CD2-CZ 4.24Å; L7-I130 HydrophobicContact CD1-CG2 3.3Å; L7-L132 HydrophobicContact CB-CD2 4.12Å; L7-L132 HydrophobicContact CD1-CD2 3.49Å; L7-L132 VanDerWaalsContact CD1-CD2 3.49Å; L7-L132 HydrophobicContact CG-CD2 4.36Å
8K92.4Very high90.2Very high76 Ų7644.4 Ų44.433%0.3321%0.208SC..EExtended strand (participates in β ladder)trans-120.4114.7171.9-175.9175.5-173.6174.30109.2Y6 E67 I130 S131Y6-K8 HydrophobicContact CE1-CB 4.34Å; K8-E67 WeakPolarHBondContact CE-OE1 3.44Å; K8-E67 WeakPolarHBondContact CE-OE2 3.47Å; K8-E67 HydrophobicContact CG-CG 4.38Å; K8-E67 IonicContact NZ-OE1 3.89Å; K8-E67 PolarHBondContact NZ-OE1 3.38Å; K8-E67 IonicContact NZ-OE2 2.67Å; K8-E67 PolarHBondContact NZ-OE2 3.17Å; K8-E67 VanDerWaalsContact NZ-OE2 3.1Å; K8-I130 CarbonylContact O-C 3.5Å; K8-I130 VanDerWaalsContact O-CA 3.28Å; K8-I130 WeakPolarHBondContact O-CA 3.39Å; K8-S131 PolarHBondContact N-O 3.05Å; K8-S131 PolarHBondContact O-N 3.14Å
9L93.3Very high90Very high1 Ų143.8 Ų43.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-116.3125.9178.8164.670.3000109.6I11 V43 E67 F68 I78 L80 V128 L129 I130L9-I11 HydrophobicContact CD1-CG1 4.25Å; L9-I11 HydrophobicContact CD2-CD1 4.21Å; L9-I11 HydrophobicContact CD2-CG1 4.08Å; L9-I11 HydrophobicContact CG-CG1 4.09Å; L9-V43 HydrophobicContact CD2-CB 4.26Å; L9-V43 HydrophobicContact CD2-CG1 3.48Å; L9-V43 VanDerWaalsContact CD2-CG1 3.48Å; L9-V43 HydrophobicContact CD2-CG2 3.71Å; L9-E67 CarbonylContact O-C 3.25Å; L9-E67 WeakPolarHBondContact O-CA 3.26Å; L9-F68 HydrophobicContact CD2-CD2 4.28Å; L9-F68 PolarHBondContact N-O 2.59Å; L9-F68 PolarHBondContact O-N 3.35Å; L9-I78 HydrophobicContact CD2-CD1 3.9Å; L9-L80 HydrophobicContact CD2-CD2 3.75Å; L9-V128 HydrophobicContact CD1-CB 4.01Å; L9-V128 HydrophobicContact CD1-CG1 4.15Å; L9-L129 CarbonylContact C-O 3.35Å; L9-I130 HydrophobicContact CD1-CD1 4.08Å; L9-I130 HydrophobicContact CD1-CG1 3.51Å
10R94.7Very high89.7Confident109 Ų10941.9 Ų41.941%0.41120%0.199SC..EExtended strand (participates in β ladder)trans-110127.9165.6178.7178.3176175.5-1.7110.1N65 E66 V128 L129R10-N65 PolarHBondContact NH2-OD1 3.33Å; R10-E66 CarbonylContact C-O 3.57Å; R10-E66 WeakPolarHBondContact CA-O 3.39Å; R10-V128 WeakPolarHBondContact O-CA 3.31Å; R10-L129 HydrophobicContact CB-CB 4.26Å; R10-L129 PolarHBondContact N-O 2.9Å; R10-L129 PolarHBondContact O-N 3.26Å
11I96Very high89.2Confident0 Ų041.6 Ų41.60%020%0.2CC..EExtended strand (participates in β ladder)trans-99.9115.5174.1-58.1-174.2000107.9L9 I41 V43 T53 Y64 N65 E66 F68 L80 V126L9-I11 HydrophobicContact CD1-CG1 4.25Å; L9-I11 HydrophobicContact CD2-CD1 4.21Å; L9-I11 HydrophobicContact CD2-CG1 4.08Å; L9-I11 HydrophobicContact CG-CG1 4.09Å; I11-I41 HydrophobicContact CD1-CB 4.24Å; I11-I41 HydrophobicContact CD1-CG2 3.86Å; I11-I41 HydrophobicContact CG2-CD1 3.87Å; I11-V43 HydrophobicContact CD1-CG2 3.66Å; I11-T53 HydrophobicContact CD1-CG2 3.86Å; I11-T53 HydrophobicContact CG2-CG2 4.48Å; I11-Y64 HydrophobicContact CG2-CD2 3.81Å; I11-Y64 HydrophobicContact CG2-CG 4.2Å; I11-N65 CarbonylContact O-C 3.44Å; I11-N65 WeakPolarHBondContact O-CA 3.5Å; I11-N65 PolarHBondContact O-N 3.12Å; I11-E66 PolarHBondContact N-O 2.83Å; I11-E66 PolarHBondContact O-N 3.31Å; I11-E66 VanDerWaalsContact O-N 3.07Å; I11-F68 HydrophobicContact CD1-CD2 4.29Å; I11-F68 HydrophobicContact CD1-CE2 3.78Å; I11-F68 HydrophobicContact CG1-CD2 4.45Å; I11-F68 HydrophobicContact CG1-CE2 4.19Å; I11-L80 HydrophobicContact CD1-CD2 4.32Å; I11-V126 HydrophobicContact CG2-CG2 4.13Å
12G94.4Very high89.6Confident5 Ų538.4 Ų38.45%0.05218%0.184CC..EExtended strand (participates in β ladder)trans-82.6-103179.300000111.6Y64 N65 Y127G12-Y64 WeakPolarHBondContact O-CA 3.48Å; G12-Y64 WeakPolarHBondContact O-CB 3.45Å; G12-Y64 PolarHBondContact O-N 2.84Å; G12-N65 PolarHBondContact O-N 2.8Å; G12-N65 VanDerWaalsContact O-N 3.11Å; G12-Y127 PolarHBondContact N-O 3.16Å
13E95Very high89.3Confident75 Ų7537.1 Ų37.135%0.3518%0.181SC..EExtended strand (participates in β ladder)trans-121.9159.7179.163.2-179.3167.100111.4P62 T63 W117 Y127E13-P62 CarbonylContact C-O 3.33Å; E13-P62 VanDerWaalsContact CA-O 3.31Å; E13-P62 WeakPolarHBondContact CA-O 3.43Å; E13-T63 HydrophobicContact CB-CG2 4.35Å; E13-W117 HydrophobicContact CG-CH2 3.62Å; E13-W117 HydrophobicContact CG-CZ2 4.3Å; E13-W117 HydrophobicContact CG-CZ3 4.41Å; E13-Y127 PolarHBondContact O-N 3.06Å
14A95.6Very high88.8Confident0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-120.2146.316900000110.3L17 M61 P62 Y64 K125 V126A14-L17 HydrophobicContact CB-CD1 4.13Å; A14-L17 HydrophobicContact CB-CD2 4.35Å; A14-L17 HydrophobicContact CB-CG 4.25Å; A14-M61 CarbonylContact O-C 3.51Å; A14-M61 WeakPolarHBondContact O-CA 3.48Å; A14-P62 HydrophobicContact CB-CG 3.99Å; A14-P62 PolarHBondContact N-O 3.34Å; A14-P62 WeakPolarHBondContact O-CD 3.47Å; A14-Y64 HydrophobicContact CB-CE2 4.39Å; A14-K125 CarbonylContact C-O 3.58Å; A14-K125 WeakPolarHBondContact CA-O 3.4Å; A14-K125 WeakPolarHBondContact CB-O 3.5Å; A14-V126 HydrophobicContact CB-CB 4.39Å; A14-V126 HydrophobicContact CB-CG2 4.41Å
15L93.8Very high87.9Confident42 Ų4241 Ų4122%0.2220%0.199CC..EExtended strand (participates in β ladder)trans-125.4155.5-178.6-53176.8000110.5L17 M61 W117 G124 K125L15-L17 PolarHBondContact O-N 2.89Å; L15-L17 VanDerWaalsContact O-N 3.16Å; L15-M61 HydrophobicContact CD2-CB 4.35Å; L15-M61 HydrophobicContact CD2-CE 3.46Å; L15-M61 VanDerWaalsContact CD2-CE 3.46Å; L15-M61 HydrophobicContact CD2-CG 4.43Å; L15-W117 HydrophobicContact CD1-CH2 3.3Å; L15-W117 HydrophobicContact CD1-CZ2 3.87Å; L15-W117 HydrophobicContact CD1-CZ3 3.83Å; L15-W117 HydrophobicContact CD2-CH2 4.35Å; L15-W117 HydrophobicContact CG-CH2 3.51Å; L15-W117 HydrophobicContact CG-CZ3 3.79Å; L15-G124 CarbonylContact O-C 3.56Å; L15-G124 WeakPolarHBondContact O-CA 3.39Å; L15-K125 PolarHBondContact N-O 2.99Å; L15-K125 PolarHBondContact O-N 2.65Å
16D91Very high86.6Confident99 Ų9944 Ų4453%0.52921%0.208SC..SBendtrans54.631.3172.8-58.5-38.5000114.8G124D16-G124 WeakPolarHBondContact O-CA 3.44Å
17L91.6Very high85.1Confident1 Ų142.4 Ų42.41%0.00521%0.21CC..  trans-65.9138.2173.4-61.9-177.7000109.8A14 L15 L37 P39 N60 P62 V82 V94 L120A14-L17 HydrophobicContact CB-CD1 4.13Å; A14-L17 HydrophobicContact CB-CD2 4.35Å; A14-L17 HydrophobicContact CB-CG 4.25Å; L15-L17 PolarHBondContact O-N 2.89Å; L15-L17 VanDerWaalsContact O-N 3.16Å; L17-L37 HydrophobicContact CB-CD1 3.95Å; L17-P39 HydrophobicContact CD1-CB 3.89Å; L17-P39 HydrophobicContact CD1-CG 4.2Å; L17-N60 WeakPolarHBondContact CB-O 3.4Å; L17-N60 PolarHBondContact N-O 2.89Å; L17-N60 VanDerWaalsContact N-O 3.12Å; L17-N60 WeakPolarHBondContact O-CB 2.83Å; L17-P62 HydrophobicContact CD1-CG 3.75Å; L17-V82 HydrophobicContact CD1-CG1 3.95Å; L17-V82 HydrophobicContact CD2-CG1 4.45Å; L17-V94 HydrophobicContact CB-CG1 4.26Å; L17-V94 HydrophobicContact CD2-CG1 4.39Å; L17-L120 HydrophobicContact CD2-CD1 3.65Å
18K89.2Confident83Confident105 Ų10547.4 Ų47.446%0.45724%0.24SC..  trans-136.2145.9178.1-65.9-171.5-166.9156.20112.1E123K18-E123 VanDerWaalsContact CD-OE2 3.28Å; K18-E123 WeakPolarHBondContact CD-OE2 3.47Å; K18-E123 VanDerWaalsContact CE-OE2 3.3Å; K18-E123 WeakPolarHBondContact CE-OE2 3.44Å; K18-E123 IonicContact NZ-OE2 3.1Å; K18-E123 PolarHBondContact NZ-OE2 2.94Å
19P86.3Confident80.8Confident32 Ų3251.5 Ų51.521%0.20826%0.264CS..  trans-53.8139.8167.3-22.530.9000111.5T24 Q35 L37P19-T24 HydrophobicContact CB-CG2 3.51Å; P19-T24 HydrophobicContact CG-CG2 4.42Å; P19-Q35 HydrophobicContact CG-CB 3.95Å; P19-L37 HydrophobicContact CB-CD2 4.41Å; P19-L37 HydrophobicContact CG-CD2 3.87Å; P19-L37 HydrophobicContact CG-CG 4.36Å
20T85.6Confident78.3Confident6 Ų660.3 Ų60.34%0.03730%0.302CS..  trans-75.8164.217556.10000111.4F22 S23 T24 F93 V94 P122 Q201T20-F22 PolarHBondContact O-N 2.9Å; T20-S23 PolarHBondContact O-N 2.54Å; T20-S23 PolarHBondContact OG1-N 3.5Å; T20-S23 VanDerWaalsContact OG1-N 3.17Å; T20-T24 PolarHBondContact O-N 3.07Å; T20-T24 PolarHBondContact O-OG1 2.73Å; T20-F93 HydrophobicContact CG2-CD1 4.16Å; T20-F93 VanDerWaalsContact CG2-O 3.25Å; T20-F93 WeakPolarHBondContact CG2-O 3.48Å; T20-F93 PolarHBondContact OG1-O 2.85Å; T20-V94 VanDerWaalsContact CG2-O 3.3Å; T20-V94 WeakPolarHBondContact CG2-O 3.27Å; T20-P122 HydrophobicContact CG2-CG 4.43Å; T20-Q201 WeakPolarHBondContact CB-O 3.5Å; T20-Q201 PolarHBondContact OG1-O 3.33Å; T20-Q201 VanDerWaalsContact OG1-O 3.1Å
21T78.5Confident75.5Confident35 Ų3562 Ų6222%0.21532%0.32CS..THydrogen-bonded Turntrans-63.8-22.8172.477.50000112.1T24 R25 V202 R221 N285T21-T24 WeakPolarHBondContact CA-OG1 3.4Å; T21-R25 WeakPolarHBondContact O-CA 3.48Å; T21-R25 VanDerWaalsContact O-CB 3.31Å; T21-R25 WeakPolarHBondContact O-CB 3.41Å; T21-R25 PolarHBondContact O-N 2.97Å; T21-R25 VanDerWaalsContact O-N 3.15Å; T21-V202 PolarHBondContact OG1-O 3.27Å; T21-R221 HydrophobicContact CG2-CG 4.45Å; T21-N285 PolarHBondContact OG1-ND2 3.34Å
22F80.9Confident73.1Confident11 Ų1172.2 Ų72.25%0.04836%0.364CS..THydrogen-bonded Turntrans-67.2-55.7169.8178.4-99.5000111.3T20 T24 R25 Q199 Q201 T204T20-F22 PolarHBondContact O-N 2.9Å; F22-T24 PolarHBondContact O-N 2.6Å; F22-R25 VanDerWaalsContact CE2-NH1 3.29Å; F22-R25 VanDerWaalsContact CZ-CZ 3.41Å; F22-R25 VanDerWaalsContact O-CB 3.31Å; F22-R25 WeakPolarHBondContact O-CB 3.32Å; F22-R25 WeakPolarHBondContact O-CD 3.45Å; F22-R25 WeakPolarHBondContact O-CG 3.44Å; F22-R25 PolarHBondContact O-N 3.08Å; F22-R25 VanDerWaalsContact O-N 3.08Å; F22-R25 PolarHBondContact O-NH1 3.27Å; F22-Q199 HydrophobicContact CD2-CG 4.2Å; F22-Q199 HydrophobicContact CE2-CG 4.01Å; F22-Q199 VanDerWaalsContact CE2-OE1 3.22Å; F22-Q201 WeakPolarHBondContact CB-O 3.42Å; F22-T204 HydrophobicContact CB-CG2 4.05Å; F22-T204 HydrophobicContact CD2-CG2 4.17Å
23S78.3Confident71Confident23 Ų2375.4 Ų75.416%0.16139%0.39CS..G310 helixtrans-56.7-38.2179.9-179.20000112.2T20 R25 D92T20-S23 PolarHBondContact O-N 2.54Å; T20-S23 PolarHBondContact OG1-N 3.5Å; T20-S23 VanDerWaalsContact OG1-N 3.17Å; S23-R25 PolarHBondContact O-N 3.03Å; S23-D92 WeakPolarHBondContact CA-OD2 3.43Å; S23-D92 WeakPolarHBondContact CB-OD2 3.26Å; S23-D92 PolarHBondContact OG-OD2 2.73Å
24T76.1Confident69.2Low48 Ų4877 Ų7729%0.29441%0.407SS..G310 helixtrans-87.81-178.956.20000115.2P19 T20 T21 F22 H26 T27 Q35P19-T24 HydrophobicContact CB-CG2 3.51Å; P19-T24 HydrophobicContact CG-CG2 4.42Å; T20-T24 PolarHBondContact O-N 3.07Å; T20-T24 PolarHBondContact O-OG1 2.73Å; T21-T24 WeakPolarHBondContact CA-OG1 3.4Å; F22-T24 PolarHBondContact O-N 2.6Å; T24-H26 PolarHBondContact O-N 3.26Å; T24-T27 PolarHBondContact O-N 2.67Å; T24-T27 VanDerWaalsContact O-N 3.08Å; T24-T27 PolarHBondContact O-OG1 2.76Å; T24-Q35 VanDerWaalsContact CG2-OE1 3.24Å
25R66.9Low68.1Low72 Ų7281 Ų8127%0.27243%0.426SS..G310 helixtrans-61.8-23.3-170.574.3-162177.3-84.9-2.7113.5T21 F22 S23 T204 R281T21-R25 WeakPolarHBondContact O-CA 3.48Å; T21-R25 VanDerWaalsContact O-CB 3.31Å; T21-R25 WeakPolarHBondContact O-CB 3.41Å; T21-R25 PolarHBondContact O-N 2.97Å; T21-R25 VanDerWaalsContact O-N 3.15Å; F22-R25 VanDerWaalsContact CE2-NH1 3.29Å; F22-R25 VanDerWaalsContact CZ-CZ 3.41Å; F22-R25 VanDerWaalsContact O-CB 3.31Å; F22-R25 WeakPolarHBondContact O-CB 3.32Å; F22-R25 WeakPolarHBondContact O-CD 3.45Å; F22-R25 WeakPolarHBondContact O-CG 3.44Å; F22-R25 PolarHBondContact O-N 3.08Å; F22-R25 VanDerWaalsContact O-N 3.08Å; F22-R25 PolarHBondContact O-NH1 3.27Å; S23-R25 PolarHBondContact O-N 3.03Å; R25-T204 HydrophobicContact CB-CG2 4.38Å; R25-R281 PolarHBondContact O-NH1 3.01Å
26H59.7Low67.7Low79 Ų7982.6 Ų82.637%0.36644%0.437SS..G310 helixtrans-105.7-2.6-178.8-61.6-81.1000113.4T24 V28 D554T24-H26 PolarHBondContact O-N 3.26Å; H26-V28 PolarHBondContact O-N 2.79Å; H26-D554 IonicContact CE1-OD2 2.92Å; H26-D554 IonicContact NE2-OD2 3.95Å
27T57.5Low67.6Low71 Ų7178 Ų7844%0.43641%0.412SS..  trans-78.5118.9-177.9-39.70000110.7T24 Q35T24-T27 PolarHBondContact O-N 2.67Å; T24-T27 VanDerWaalsContact O-N 3.08Å; T24-T27 PolarHBondContact O-OG1 2.76Å; T27-Q35 PolarHBondContact OG1-NE2 2.75Å
28V46.9Very low67.6Low106 Ų10679.8 Ų79.864%0.64242%0.422SS*.  trans-66.3136.2178.7-167.90000110.8H26 F30H26-V28 PolarHBondContact O-N 2.79Å; V28-F30 HydrophobicContact CG1-CD2 3.56Å; V28-F30 HydrophobicContact CG1-CE2 4.2Å; V28-F30 PolarHBondContact O-N 3.09Å
29I45.8Very low67.9Low162 Ų16274.8 Ų74.883%0.83140%0.4SS*.THydrogen-bonded Turntrans-64.64.6-173.3-65.3170.9000114.2N31I29-N31 PolarHBondContact O-N 3.23Å
30F39.8Very low68.2Low185 Ų18573.4 Ų73.481%0.81139%0.391SS*.THydrogen-bonded Turntrans-86.4-1.3-172.7-74.2-67.5000116.4V28V28-F30 HydrophobicContact CG1-CD2 3.56Å; V28-F30 HydrophobicContact CG1-CE2 4.2Å; V28-F30 PolarHBondContact O-N 3.09Å
31N37.3Very low68.7Low146 Ų14673.1 Ų73.178%0.78139%0.389SS*.  trans-133110.5172.2-95.7-24000112.9I29 A33I29-N31 PolarHBondContact O-N 3.23Å; N31-A33 PolarHBondContact O-N 3.19Å
32K43.9Very low69.4Low213 Ų21371.9 Ų71.993%0.92638%0.382SS*.  trans-77.234.2173.2-72-177.5176.1176.30113.1
33A51.3Low69.9Low72 Ų7271.5 Ų71.560%0.59538%0.38SS*.PPolyproline II helixtrans-81.9133.1170.100000108.6N31 Q35N31-A33 PolarHBondContact O-N 3.19Å; A33-Q35 PolarHBondContact O-N 3.45Å; A33-Q35 VanDerWaalsContact O-N 3.12Å
34P57.7Low70.4Confident110 Ų11070.9 Ų70.971%0.71438%0.375SS*.PPolyproline II helixtrans-61.9117.3172.424-29.7000108.8T36P34-T36 PolarHBondContact O-N 3.2Å
35Q72.3Confident71Confident83 Ų8369 Ų6939%0.38836%0.363SS..PPolyproline II helixtrans-61.7127.4174.7-85.7-178.2-32.700109.4P19 T24 T27 A33 N60P19-Q35 HydrophobicContact CG-CB 3.95Å; T24-Q35 VanDerWaalsContact CG2-OE1 3.24Å; T27-Q35 PolarHBondContact OG1-NE2 2.75Å; A33-Q35 PolarHBondContact O-N 3.45Å; A33-Q35 VanDerWaalsContact O-N 3.12Å; Q35-N60 PolarHBondContact O-ND2 2.99Å
36T84.8Confident71.9Confident75 Ų7567.5 Ų67.546%0.4636%0.361SS..PPolyproline II helixtrans-94.3141.1172.749.90000109.4P34P34-T36 PolarHBondContact O-N 3.2Å
37L89.6Confident72.8Confident3 Ų368.3 Ų68.32%0.01637%0.367CS..PPolyproline II helixtrans-95.7160.1-179.7-63.5167.6000111L17 P19 P39 K58 T59 N60 H84 V94L17-L37 HydrophobicContact CB-CD1 3.95Å; P19-L37 HydrophobicContact CB-CD2 4.41Å; P19-L37 HydrophobicContact CG-CD2 3.87Å; P19-L37 HydrophobicContact CG-CG 4.36Å; L37-P39 HydrophobicContact CB-CG 4.48Å; L37-P39 WeakPolarHBondContact O-CD 3.2Å; L37-K58 CarbonylContact O-C 3.57Å; L37-K58 VanDerWaalsContact O-CA 3.24Å; L37-K58 WeakPolarHBondContact O-CA 3.41Å; L37-K58 PolarHBondContact O-N 3.31Å; L37-T59 PolarHBondContact O-N 3.49Å; L37-N60 WeakPolarHBondContact CG-OD1 3.24Å; L37-N60 PolarHBondContact N-OD1 2.91Å; L37-N60 VanDerWaalsContact N-OD1 3.1Å; L37-H84 HydrophobicContact CD2-CB 4.06Å; L37-V94 HydrophobicContact CD1-CG1 3.91Å; L37-V94 HydrophobicContact CD1-CG2 4.17Å; L37-V94 HydrophobicContact CD2-CG2 4.32Å
38D91.9Very high73.8Confident39 Ų3973.5 Ų73.521%0.20938%0.38CS..  trans-106.372.9162.1-65.4-24.6000109.5T55 K56 Q57 K58 H84 D85D38-T55 HydrophobicContact CB-CG2 3.86Å; D38-K56 CarbonylContact C-O 3.32Å; D38-K56 VanDerWaalsContact C-O 3.25Å; D38-K56 WeakPolarHBondContact CA-O 3.41Å; D38-Q57 WeakPolarHBondContact OD1-CA 3.43Å; D38-K58 PolarHBondContact OD1-N 3.16Å; D38-H84 PolarHBondContact N-CE1 3.48Å; D38-H84 PolarHBondContact N-ND1 3.04Å; D38-D85 HydrophobicContact CB-CB 4.07Å; D38-D85 PolarHBondContact O-N 3.43Å
39P93.9Very high75.7Confident0 Ų073 Ų730%037%0.37CS..EExtended strand (participates in β ladder)trans-82.5140.9-166.532.9-40000114.4L17 L37 K56 T59 P62 Y64 V82 F83L17-P39 HydrophobicContact CD1-CB 3.89Å; L17-P39 HydrophobicContact CD1-CG 4.2Å; L37-P39 HydrophobicContact CB-CG 4.48Å; L37-P39 WeakPolarHBondContact O-CD 3.2Å; P39-K56 WeakPolarHBondContact CD-O 3.49Å; P39-K56 PolarHBondContact O-N 3.15Å; P39-K56 VanDerWaalsContact O-N 3.08Å; P39-T59 VanDerWaalsContact CD-O 3.31Å; P39-T59 WeakPolarHBondContact CD-O 3.29Å; P39-T59 HydrophobicContact CG-CG2 4.21Å; P39-T59 WeakPolarHBondContact CG-O 3.2Å; P39-P62 HydrophobicContact CB-CG 4.25Å; P39-P62 HydrophobicContact CG-CB 3.77Å; P39-P62 HydrophobicContact CG-CG 3.59Å; P39-Y64 WeakPolarHBondContact CB-OH 3.4Å; P39-Y64 PolarHBondContact O-OH 2.88Å; P39-Y64 VanDerWaalsContact O-OH 3.08Å; P39-V82 HydrophobicContact CB-CG1 4.16Å; P39-F83 CarbonylContact C-O 3.56Å; P39-F83 VanDerWaalsContact CA-O 3.25Å; P39-F83 WeakPolarHBondContact CA-O 3.28Å
40Y94.6Very high77.6Confident2 Ų267.4 Ų67.41%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-136.1158.9164.470.1-91.4000111.1V42 Q52 V82 F83 D85 D91 R161Y40-V42 HydrophobicContact CD2-CG2 4.06Å; Y40-V42 HydrophobicContact CE2-CG2 3.55Å; Y40-Q52 HydrophobicContact CD2-CG 3.68Å; Y40-Q52 HydrophobicContact CE2-CG 4.11Å; Y40-V82 WeakPolarHBondContact O-CA 3.25Å; Y40-F83 HydrophobicContact CD1-CB 4.24Å; Y40-F83 HydrophobicContact CD2-CB 4.5Å; Y40-F83 HydrophobicContact CE1-CB 3.63Å; Y40-F83 HydrophobicContact CE2-CB 3.94Å; Y40-F83 HydrophobicContact CE2-CD2 4.11Å; Y40-F83 HydrophobicContact CE2-CG 4.36Å; Y40-F83 VanDerWaalsContact CZ-CB 3.46Å; Y40-F83 PolarHBondContact N-O 2.82Å; Y40-F83 PolarHBondContact O-N 2.64Å; Y40-D85 HydrophobicContact CD1-CB 4.11Å; Y40-D85 HydrophobicContact CE1-CB 4.17Å; Y40-D91 HydrophobicContact CE1-CB 4.26Å; Y40-D91 PolarHBondContact OH-OD2 2.79Å; Y40-R161 PolarHBondContact OH-NH1 2.92Å
41I94.5Very high79.9Confident0 Ų059.1 Ų59.10%031%0.309CS..EExtended strand (participates in β ladder)trans-114.4128-178.1-58.1-177.3000109.9I11 Q52 T53 Y64 L80 A81 V82 V126I11-I41 HydrophobicContact CD1-CB 4.24Å; I11-I41 HydrophobicContact CD1-CG2 3.86Å; I11-I41 HydrophobicContact CG2-CD1 3.87Å; I41-Q52 CarbonylContact O-C 3.58Å; I41-Q52 VanDerWaalsContact O-CA 3.28Å; I41-Q52 WeakPolarHBondContact O-CA 3.4Å; I41-T53 HydrophobicContact CB-CG2 4.07Å; I41-T53 PolarHBondContact N-OG1 2.61Å; I41-T53 PolarHBondContact O-N 2.98Å; I41-Y64 HydrophobicContact CD1-CD2 4Å; I41-Y64 HydrophobicContact CD1-CE2 3.48Å; I41-Y64 VanDerWaalsContact CD1-CE2 3.48Å; I41-Y64 HydrophobicContact CG1-CE2 3.88Å; I41-L80 HydrophobicContact CG2-CB 4.16Å; I41-A81 WeakPolarHBondContact CA-O 3.4Å; I41-V82 HydrophobicContact CD1-CG2 4.35Å; I41-V82 HydrophobicContact CG1-CG1 4.42Å; I41-V82 HydrophobicContact CG1-CG2 4.1Å; I41-V126 HydrophobicContact CD1-CG2 3.97Å
42V92.9Very high82.5Confident10 Ų1055.7 Ų55.76%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-95.4127.8168.6-179.60000108.8Y40 K44 K49 Q52 A81 F83Y40-V42 HydrophobicContact CD2-CG2 4.06Å; Y40-V42 HydrophobicContact CE2-CG2 3.55Å; V42-K44 HydrophobicContact CG1-CG 4.13Å; V42-K49 HydrophobicContact CG1-CD 4.05Å; V42-K49 HydrophobicContact CG1-CG 3.95Å; V42-Q52 HydrophobicContact CG2-CG 4.45Å; V42-A81 PolarHBondContact N-O 2.88Å; V42-A81 PolarHBondContact O-N 3.33Å; V42-F83 HydrophobicContact CB-CD2 4.49Å; V42-F83 HydrophobicContact CB-CE2 4.25Å; V42-F83 HydrophobicContact CG2-CD2 3.85Å; V42-F83 HydrophobicContact CG2-CE2 3.93Å
43V92.3Very high85Confident2 Ų245.7 Ų45.71%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-99.6129.2175.7-175.40000109L9 I11 V50 G51 F68 I78 L80L9-V43 HydrophobicContact CD2-CB 4.26Å; L9-V43 HydrophobicContact CD2-CG1 3.48Å; L9-V43 VanDerWaalsContact CD2-CG1 3.48Å; L9-V43 HydrophobicContact CD2-CG2 3.71Å; I11-V43 HydrophobicContact CD1-CG2 3.66Å; V43-V50 HydrophobicContact CG1-CB 4.38Å; V43-V50 PolarHBondContact O-N 2.71Å; V43-G51 PolarHBondContact N-O 3.4Å; V43-G51 PolarHBondContact O-N 3.06Å; V43-F68 HydrophobicContact CG2-CD2 3.92Å; V43-F68 HydrophobicContact CG2-CE2 3.96Å; V43-F68 HydrophobicContact CG2-CG 4.43Å; V43-F68 HydrophobicContact CG2-CZ 4.49Å; V43-I78 HydrophobicContact CG1-CD1 4.11Å; V43-I78 HydrophobicContact CG1-CG1 4.27Å; V43-L80 HydrophobicContact CB-CD2 4.38Å; V43-L80 HydrophobicContact CG1-CD2 4.11Å; V43-L80 HydrophobicContact CG2-CD2 3.92Å
44K89.8Confident87Confident10 Ų1048.6 Ų48.64%0.04325%0.247CC..EExtended strand (participates in β ladder)trans-129.6147.1173.9-53.1-178-159.21470111.5V42 Y48 I78 E79V42-K44 HydrophobicContact CG1-CG 4.13Å; K44-Y48 CarbonylContact C-O 3.57Å; K44-Y48 WeakPolarHBondContact CA-O 3.34Å; K44-Y48 WeakPolarHBondContact CB-O 3.21Å; K44-I78 CarbonylContact O-C 3.55Å; K44-I78 VanDerWaalsContact O-CA 3.31Å; K44-I78 WeakPolarHBondContact O-CA 3.34Å; K44-I78 WeakPolarHBondContact O-CG1 3.49Å; K44-E79 HydrophobicContact CB-CB 4.3Å; K44-E79 WeakPolarHBondContact CD-OE2 3.47Å; K44-E79 PolarHBondContact N-O 3.2Å; K44-E79 IonicContact NZ-OE2 3.67Å; K44-E79 PolarHBondContact NZ-OE2 2.99Å; K44-E79 PolarHBondContact O-N 3.26Å
45V88.5Confident88.7Confident10 Ų1045.4 Ų45.46%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-112.5120.6164.7173.60000106.9L7 D47 Y48 V50 V72 Q77 I78 F101L7-V45 HydrophobicContact CD2-CG2 3.77Å; V45-D47 PolarHBondContact O-N 3.28Å; V45-D47 VanDerWaalsContact O-N 3.14Å; V45-Y48 PolarHBondContact N-O 3.41Å; V45-Y48 PolarHBondContact O-N 3.32Å; V45-V50 HydrophobicContact CB-CG2 3.97Å; V45-V50 HydrophobicContact CG2-CG2 3.82Å; V45-V72 HydrophobicContact CG1-CG1 3.84Å; V45-V72 HydrophobicContact CG1-CG2 4.32Å; V45-V72 HydrophobicContact CG2-CG2 4.31Å; V45-Q77 WeakPolarHBondContact CA-O 3.04Å; V45-I78 HydrophobicContact CG2-CG1 4.4Å; V45-F101 HydrophobicContact CG1-CE2 4.03Å; V45-F101 HydrophobicContact CG1-CZ 4.12Å; V45-F101 HydrophobicContact CG2-CZ 4.31Å
46D85.7Confident89.7Confident40 Ų4044.5 Ų44.521%0.21422%0.22CC..THydrogen-bonded Turntrans50.2-112.8-167-56.4-36.5000112G75 K76 Q77D46-G75 WeakPolarHBondContact OD2-CA 3.21Å; D46-K76 WeakPolarHBondContact OD1-CA 3.33Å; D46-K76 WeakPolarHBondContact OD1-CB 3.24Å; D46-K76 PolarHBondContact OD1-N 2.93Å; D46-K76 PolarHBondContact OD2-N 3.46Å; D46-K76 VanDerWaalsContact OD2-N 3.16Å; D46-Q77 PolarHBondContact N-O 2.86Å; D46-Q77 PolarHBondContact OD1-N 3.48Å
47D76.9Confident90Very high95 Ų9548.2 Ų48.251%0.50823%0.232SC..THydrogen-bonded Turntrans-99.31179.3-75.5-53.2000113.3V45 R162V45-D47 PolarHBondContact O-N 3.28Å; V45-D47 VanDerWaalsContact O-N 3.14Å; D47-R162 IonicContact OD1-CZ 3.65Å; D47-R162 VanDerWaalsContact OD1-CZ 3.27Å; D47-R162 IonicContact OD1-NE 3.41Å; D47-R162 PolarHBondContact OD1-NE 3.17Å; D47-R162 IonicContact OD1-NH2 2.83Å; D47-R162 PolarHBondContact OD1-NH2 3.02Å; D47-R162 IonicContact OD2-CZ 2.75Å; D47-R162 IonicContact OD2-NH2 2.78Å; D47-R162 PolarHBondContact OD2-NH2 2.67Å
48Y79.9Confident90Very high181 Ų18155.6 Ų55.671%0.7126%0.264SS*.EExtended strand (participates in β ladder)trans-103.9129.4-172.8-60.6-81.1000112.3K44 V45 V50K44-Y48 CarbonylContact C-O 3.57Å; K44-Y48 WeakPolarHBondContact CA-O 3.34Å; K44-Y48 WeakPolarHBondContact CB-O 3.21Å; V45-Y48 PolarHBondContact N-O 3.41Å; V45-Y48 PolarHBondContact O-N 3.32Å; Y48-V50 PolarHBondContact O-N 2.75Å
49K86.1Confident90Very high95 Ų9555.5 Ų55.541%0.41327%0.265SS..EExtended strand (participates in β ladder)trans-72.4125.6173.5-179.1178.5178.4179.60109.8V42 V159V42-K49 HydrophobicContact CG1-CD 4.05Å; V42-K49 HydrophobicContact CG1-CG 3.95Å; K49-V159 HydrophobicContact CB-CG2 3.88Å
50V86.1Confident89.8Confident44 Ų4457.4 Ų57.427%0.26728%0.275SS..EExtended strand (participates in β ladder)trans-106.5-34.2-176.7171.40000111.8V43 V45 Y48 L70V43-V50 HydrophobicContact CG1-CB 4.38Å; V43-V50 PolarHBondContact O-N 2.71Å; V45-V50 HydrophobicContact CB-CG2 3.97Å; V45-V50 HydrophobicContact CG2-CG2 3.82Å; Y48-V50 PolarHBondContact O-N 2.75Å; V50-L70 HydrophobicContact CB-CD1 4.08Å; V50-L70 HydrophobicContact CG1-CB 4.4Å; V50-L70 HydrophobicContact CG1-CD1 3.4Å; V50-L70 HydrophobicContact CG1-CD2 3.38Å; V50-L70 HydrophobicContact CG1-CG 3.86Å; V50-L70 HydrophobicContact CG2-CD1 3.51Å
51G87.6Confident89.8Confident11 Ų1162.4 Ų62.411%0.11330%0.3CS..EExtended strand (participates in β ladder)trans-166170.6-175.700000112.5V43V43-G51 PolarHBondContact N-O 3.4Å; V43-G51 PolarHBondContact O-N 3.06Å
52Q93.3Very high89.8Confident75 Ų7562.5 Ų62.535%0.3530%0.3SS..EExtended strand (participates in β ladder)trans-149136173.7175.2174.9-32.800108.9Y40 I41 V42Y40-Q52 HydrophobicContact CD2-CG 3.68Å; Y40-Q52 HydrophobicContact CE2-CG 4.11Å; I41-Q52 CarbonylContact O-C 3.58Å; I41-Q52 VanDerWaalsContact O-CA 3.28Å; I41-Q52 WeakPolarHBondContact O-CA 3.4Å; V42-Q52 HydrophobicContact CG2-CG 4.45Å
53T94.8Very high89.9Confident3 Ų365.3 Ų65.32%0.01832%0.318CS..PPolyproline II helixtrans-77.4164.6173.766.80000111.4I11 I41 Y64 E66 F68I11-T53 HydrophobicContact CD1-CG2 3.86Å; I11-T53 HydrophobicContact CG2-CG2 4.48Å; I41-T53 HydrophobicContact CB-CG2 4.07Å; I41-T53 PolarHBondContact N-OG1 2.61Å; I41-T53 PolarHBondContact O-N 2.98Å; T53-Y64 HydrophobicContact CG2-CD1 3.98Å; T53-Y64 HydrophobicContact CG2-CG 4.15Å; T53-Y64 WeakPolarHBondContact OG1-CD1 3.23Å; T53-Y64 VanDerWaalsContact OG1-CE1 3.27Å; T53-Y64 WeakPolarHBondContact OG1-CE1 3.19Å; T53-E66 WeakPolarHBondContact CA-OE2 3.37Å; T53-E66 WeakPolarHBondContact CB-OE1 3.29Å; T53-E66 HydrophobicContact CG2-CB 4.34Å; T53-F68 HydrophobicContact CG2-CE2 3.93Å; T53-F68 HydrophobicContact CG2-CZ 3.86Å
54H93.6Very high90Very high133 Ų13365.7 Ų65.762%0.61632%0.319SS*.PPolyproline II helixtrans-67.9145169.8-64.676.6000111.1K56 E66H54-K56 PolarHBondContact O-N 3.01Å; H54-E66 IonicContact CE1-OE2 2.76Å; H54-E66 IonicContact CG-OE1 2.72Å; H54-E66 IonicContact CG-OE2 3.88Å; H54-E66 PolarHBondContact N-OE1 2.84Å; H54-E66 PolarHBondContact N-OE2 2.85Å; H54-E66 VanDerWaalsContact ND1-CD 3.34Å; H54-E66 IonicContact ND1-OE1 3.23Å; H54-E66 PolarHBondContact ND1-OE1 3.14Å; H54-E66 IonicContact ND1-OE2 2.78Å; H54-E66 PolarHBondContact ND1-OE2 2.81Å
55T93.4Very high90.2Very high43 Ų4369.6 Ų69.626%0.26434%0.34SS..PPolyproline II helixtrans-64.5129.9171.7-55.10000110D38 D85D38-T55 HydrophobicContact CB-CG2 3.86Å; T55-D85 HydrophobicContact CG2-CB 3.57Å; T55-D85 WeakPolarHBondContact CG2-OD2 3.49Å; T55-D85 PolarHBondContact OG1-OD2 3.09Å
56K93.9Very high90.5Very high64 Ų6470.5 Ų70.528%0.27834%0.344SS..PPolyproline II helixtrans-100.6132169.6-56.5-61.4170.4166.80108.1D38 P39 H54 T59 P62 T63 Y64D38-K56 CarbonylContact C-O 3.32Å; D38-K56 VanDerWaalsContact C-O 3.25Å; D38-K56 WeakPolarHBondContact CA-O 3.41Å; P39-K56 WeakPolarHBondContact CD-O 3.49Å; P39-K56 PolarHBondContact O-N 3.15Å; P39-K56 VanDerWaalsContact O-N 3.08Å; H54-K56 PolarHBondContact O-N 3.01Å; K56-T59 HydrophobicContact CB-CG2 3.86Å; K56-P62 HydrophobicContact CB-CB 3.86Å; K56-P62 HydrophobicContact CG-CB 3.79Å; K56-T63 WeakPolarHBondContact CE-O 3.4Å; K56-T63 PolarHBondContact NZ-O 3.37Å; K56-Y64 HydrophobicContact CG-CD1 4.09Å; K56-Y64 HydrophobicContact CG-CE1 3.79Å
57Q91.4Very high90.9Very high153 Ų15373.6 Ų73.672%0.71536%0.357SS*.PPolyproline II helixtrans-90.3142.6-174.2-67.2-174.7-7.600112.4D38 T59D38-Q57 WeakPolarHBondContact OD1-CA 3.43Å; Q57-T59 VanDerWaalsContact C-N 3.34Å; Q57-T59 PolarHBondContact O-N 3.14Å
58K88.4Confident91.6Very high157 Ų15770.4 Ų70.468%0.68334%0.339SS*.SBendtrans50.245.9168.2-59.5179.6-179.3178.30113.9L37 D38L37-K58 CarbonylContact O-C 3.57Å; L37-K58 VanDerWaalsContact O-CA 3.24Å; L37-K58 WeakPolarHBondContact O-CA 3.41Å; L37-K58 PolarHBondContact O-N 3.31Å; D38-K58 PolarHBondContact OD1-N 3.16Å
59T91.7Very high92.1Very high37 Ų3764.3 Ų64.323%0.22732%0.322CS..  trans-141143.7179.7-175.70000112.7L37 P39 K56 Q57 M61 P62L37-T59 PolarHBondContact O-N 3.49Å; P39-T59 VanDerWaalsContact CD-O 3.31Å; P39-T59 WeakPolarHBondContact CD-O 3.29Å; P39-T59 HydrophobicContact CG-CG2 4.21Å; P39-T59 WeakPolarHBondContact CG-O 3.2Å; K56-T59 HydrophobicContact CB-CG2 3.86Å; Q57-T59 VanDerWaalsContact C-N 3.34Å; Q57-T59 PolarHBondContact O-N 3.14Å; T59-M61 PolarHBondContact OG1-N 2.78Å; T59-M61 PolarHBondContact OG1-O 2.93Å; T59-P62 HydrophobicContact CG2-CB 3.93Å
60N91.2Very high92.3Very high40 Ų4061.6 Ų61.621%0.21431%0.312CS..SBendtrans-101.10.2170.6-66.7-16000112L17 Q35 L37L17-N60 WeakPolarHBondContact CB-O 3.4Å; L17-N60 PolarHBondContact N-O 2.89Å; L17-N60 VanDerWaalsContact N-O 3.12Å; L17-N60 WeakPolarHBondContact O-CB 2.83Å; Q35-N60 PolarHBondContact O-ND2 2.99Å; L37-N60 WeakPolarHBondContact CG-OD1 3.24Å; L37-N60 PolarHBondContact N-OD1 2.91Å; L37-N60 VanDerWaalsContact N-OD1 3.1Å
61M93.9Very high92.5Very high108 Ų10865.1 Ų65.153%0.53233%0.33SS..SBendtrans-134.767.5-179.2-60.8172.574.400109.8A14 L15 T59A14-M61 CarbonylContact O-C 3.51Å; A14-M61 WeakPolarHBondContact O-CA 3.48Å; L15-M61 HydrophobicContact CD2-CB 4.35Å; L15-M61 HydrophobicContact CD2-CE 3.46Å; L15-M61 VanDerWaalsContact CD2-CE 3.46Å; L15-M61 HydrophobicContact CD2-CG 4.43Å; T59-M61 PolarHBondContact OG1-N 2.78Å; T59-M61 PolarHBondContact OG1-O 2.93Å
62P94.8Very high92.4Very high1 Ų164.9 Ų64.91%0.00633%0.326CS..  trans-75.4140.8-175.230.9-36.6000112.6E13 A14 L17 P39 K56 T59 Y64E13-P62 CarbonylContact C-O 3.33Å; E13-P62 VanDerWaalsContact CA-O 3.31Å; E13-P62 WeakPolarHBondContact CA-O 3.43Å; A14-P62 HydrophobicContact CB-CG 3.99Å; A14-P62 PolarHBondContact N-O 3.34Å; A14-P62 WeakPolarHBondContact O-CD 3.47Å; L17-P62 HydrophobicContact CD1-CG 3.75Å; P39-P62 HydrophobicContact CB-CG 4.25Å; P39-P62 HydrophobicContact CG-CB 3.77Å; P39-P62 HydrophobicContact CG-CG 3.59Å; K56-P62 HydrophobicContact CB-CB 3.86Å; K56-P62 HydrophobicContact CG-CB 3.79Å; T59-P62 HydrophobicContact CG2-CB 3.93Å; P62-Y64 HydrophobicContact CB-CE1 4.21Å; P62-Y64 HydrophobicContact CB-CE2 3.81Å; P62-Y64 HydrophobicContact CG-CE2 3.54Å; P62-Y64 VanDerWaalsContact CG-OH 3.23Å; P62-Y64 WeakPolarHBondContact CG-OH 3.37Å
63T95.3Very high92.1Very high69 Ų6967.5 Ų67.542%0.42334%0.342SS..EExtended strand (participates in β ladder)trans-105.7118167.4-49.90000109.6E13 K56 N65E13-T63 HydrophobicContact CB-CG2 4.35Å; K56-T63 WeakPolarHBondContact CE-O 3.4Å; K56-T63 PolarHBondContact NZ-O 3.37Å; T63-N65 VanDerWaalsContact CG2-ND2 3.32Å; T63-N65 WeakPolarHBondContact CG2-ND2 3.24Å
64Y94.1Very high91.6Very high11 Ų1171.4 Ų71.44%0.04336%0.363CS..EExtended strand (participates in β ladder)trans-95.2-60-178.7-59.3-76.3000111.2I11 G12 A14 P39 I41 T53 K56 P62 E66I11-Y64 HydrophobicContact CG2-CD2 3.81Å; I11-Y64 HydrophobicContact CG2-CG 4.2Å; G12-Y64 WeakPolarHBondContact O-CA 3.48Å; G12-Y64 WeakPolarHBondContact O-CB 3.45Å; G12-Y64 PolarHBondContact O-N 2.84Å; A14-Y64 HydrophobicContact CB-CE2 4.39Å; P39-Y64 WeakPolarHBondContact CB-OH 3.4Å; P39-Y64 PolarHBondContact O-OH 2.88Å; P39-Y64 VanDerWaalsContact O-OH 3.08Å; I41-Y64 HydrophobicContact CD1-CD2 4Å; I41-Y64 HydrophobicContact CD1-CE2 3.48Å; I41-Y64 VanDerWaalsContact CD1-CE2 3.48Å; I41-Y64 HydrophobicContact CG1-CE2 3.88Å; T53-Y64 HydrophobicContact CG2-CD1 3.98Å; T53-Y64 HydrophobicContact CG2-CG 4.15Å; T53-Y64 WeakPolarHBondContact OG1-CD1 3.23Å; T53-Y64 VanDerWaalsContact OG1-CE1 3.27Å; T53-Y64 WeakPolarHBondContact OG1-CE1 3.19Å; K56-Y64 HydrophobicContact CG-CD1 4.09Å; K56-Y64 HydrophobicContact CG-CE1 3.79Å; P62-Y64 HydrophobicContact CB-CE1 4.21Å; P62-Y64 HydrophobicContact CB-CE2 3.81Å; P62-Y64 HydrophobicContact CG-CE2 3.54Å; P62-Y64 VanDerWaalsContact CG-OH 3.23Å; P62-Y64 WeakPolarHBondContact CG-OH 3.37Å; Y64-E66 VanDerWaalsContact C-N 3.28Å; Y64-E66 PolarHBondContact O-N 2.8Å
65N93.6Very high91.2Very high91 Ų9165.1 Ų65.149%0.48733%0.334SS..EExtended strand (participates in β ladder)trans53.642.3-171.2-73.4-49000113.4R10 I11 G12 T63R10-N65 PolarHBondContact NH2-OD1 3.33Å; I11-N65 CarbonylContact O-C 3.44Å; I11-N65 WeakPolarHBondContact O-CA 3.5Å; I11-N65 PolarHBondContact O-N 3.12Å; G12-N65 PolarHBondContact O-N 2.8Å; G12-N65 VanDerWaalsContact O-N 3.11Å; T63-N65 VanDerWaalsContact CG2-ND2 3.32Å; T63-N65 WeakPolarHBondContact CG2-ND2 3.24Å
66E94.7Very high90.9Very high30 Ų3067.5 Ų67.514%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-110.1146.4-177-66.3-179.7-123.900110.9R10 I11 T53 H54 Y64 F68R10-E66 CarbonylContact C-O 3.57Å; R10-E66 WeakPolarHBondContact CA-O 3.39Å; I11-E66 PolarHBondContact N-O 2.83Å; I11-E66 PolarHBondContact O-N 3.31Å; I11-E66 VanDerWaalsContact O-N 3.07Å; T53-E66 WeakPolarHBondContact CA-OE2 3.37Å; T53-E66 WeakPolarHBondContact CB-OE1 3.29Å; T53-E66 HydrophobicContact CG2-CB 4.34Å; H54-E66 IonicContact CE1-OE2 2.76Å; H54-E66 IonicContact CG-OE1 2.72Å; H54-E66 IonicContact CG-OE2 3.88Å; H54-E66 PolarHBondContact N-OE1 2.84Å; H54-E66 PolarHBondContact N-OE2 2.85Å; H54-E66 VanDerWaalsContact ND1-CD 3.34Å; H54-E66 IonicContact ND1-OE1 3.23Å; H54-E66 PolarHBondContact ND1-OE1 3.14Å; H54-E66 IonicContact ND1-OE2 2.78Å; H54-E66 PolarHBondContact ND1-OE2 2.81Å; Y64-E66 VanDerWaalsContact C-N 3.28Å; Y64-E66 PolarHBondContact O-N 2.8Å; E66-F68 HydrophobicContact CB-CE2 4.32Å; E66-F68 HydrophobicContact CB-CZ 4.38Å
67E93.6Very high90.7Very high104 Ų10467.3 Ų67.349%0.48634%0.341SS..EExtended strand (participates in β ladder)trans-122.7135.4-174.1-171.8177.4103.800111.1K8 L9K8-E67 WeakPolarHBondContact CE-OE1 3.44Å; K8-E67 WeakPolarHBondContact CE-OE2 3.47Å; K8-E67 HydrophobicContact CG-CG 4.38Å; K8-E67 IonicContact NZ-OE1 3.89Å; K8-E67 PolarHBondContact NZ-OE1 3.38Å; K8-E67 IonicContact NZ-OE2 2.67Å; K8-E67 PolarHBondContact NZ-OE2 3.17Å; K8-E67 VanDerWaalsContact NZ-OE2 3.1Å; L9-E67 CarbonylContact O-C 3.25Å; L9-E67 WeakPolarHBondContact O-CA 3.26Å
68F91.6Very high90.6Very high28 Ų2860 Ų6012%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-123.7130.7178.6-55.8-81.4000108.6L9 I11 V43 T53 E66L9-F68 HydrophobicContact CD2-CD2 4.28Å; L9-F68 PolarHBondContact N-O 2.59Å; L9-F68 PolarHBondContact O-N 3.35Å; I11-F68 HydrophobicContact CD1-CD2 4.29Å; I11-F68 HydrophobicContact CD1-CE2 3.78Å; I11-F68 HydrophobicContact CG1-CD2 4.45Å; I11-F68 HydrophobicContact CG1-CE2 4.19Å; V43-F68 HydrophobicContact CG2-CD2 3.92Å; V43-F68 HydrophobicContact CG2-CE2 3.96Å; V43-F68 HydrophobicContact CG2-CG 4.43Å; V43-F68 HydrophobicContact CG2-CZ 4.49Å; T53-F68 HydrophobicContact CG2-CE2 3.93Å; T53-F68 HydrophobicContact CG2-CZ 3.86Å; E66-F68 HydrophobicContact CB-CE2 4.32Å; E66-F68 HydrophobicContact CB-CZ 4.38Å
69S91Very high90.8Very high53 Ų5353.4 Ų53.437%0.37128%0.278SS..EExtended strand (participates in β ladder)trans-133.9136.7176.8-54.20000111.4Y6 L7Y6-S69 WeakPolarHBondContact OH-CB 2.97Å; L7-S69 VanDerWaalsContact O-CA 3.3Å; L7-S69 WeakPolarHBondContact O-CA 3.41Å
70L91.3Very high90.9Very high39 Ų3951.7 Ų51.720%0.20427%0.268CS..EExtended strand (participates in β ladder)trans-158.3160.3-178.668.4158.9000112.4L7 V50 V72L7-L70 HydrophobicContact CB-CD2 4.06Å; L7-L70 HydrophobicContact CD2-CD2 3.76Å; L7-L70 HydrophobicContact CG-CD2 3.94Å; L7-L70 PolarHBondContact N-O 2.65Å; L7-L70 PolarHBondContact O-N 3.32Å; V50-L70 HydrophobicContact CB-CD1 4.08Å; V50-L70 HydrophobicContact CG1-CB 4.4Å; V50-L70 HydrophobicContact CG1-CD1 3.4Å; V50-L70 HydrophobicContact CG1-CD2 3.38Å; V50-L70 HydrophobicContact CG1-CG 3.86Å; V50-L70 HydrophobicContact CG2-CD1 3.51Å; L70-V72 HydrophobicContact CD1-CG2 3.98Å; L70-V72 HydrophobicContact CG-CG2 3.99Å
71N88.4Confident91Very high118 Ų11849.8 Ų49.863%0.63126%0.257SS*.EExtended strand (participates in β ladder)trans-84.5128.1164.1-69.8-50.3000110Y6Y6-N71 WeakPolarHBondContact CD2-OD1 3.5Å
72V86.9Confident91Very high5 Ų544.6 Ų44.63%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-108.1128.9177.1177.60000108.5F3 N4 G5 L7 V45 L70 F101F3-V72 HydrophobicContact CD1-CB 3.88Å; F3-V72 HydrophobicContact CD1-CG1 3.97Å; F3-V72 HydrophobicContact CE1-CB 4.09Å; N4-V72 CarbonylContact C-O 3.48Å; N4-V72 WeakPolarHBondContact CA-O 3.48Å; G5-V72 PolarHBondContact N-O 3.17Å; G5-V72 PolarHBondContact O-N 2.85Å; L7-V72 HydrophobicContact CB-CG2 3.78Å; L7-V72 HydrophobicContact CD2-CG2 3.96Å; V45-V72 HydrophobicContact CG1-CG1 3.84Å; V45-V72 HydrophobicContact CG1-CG2 4.32Å; V45-V72 HydrophobicContact CG2-CG2 4.31Å; L70-V72 HydrophobicContact CD1-CG2 3.98Å; L70-V72 HydrophobicContact CG-CG2 3.99Å; V72-F101 HydrophobicContact CG1-CE2 4.45Å
73N86.3Confident90.9Very high130 Ų13044.7 Ų44.770%0.69523%0.232SC*.EExtended strand (participates in β ladder)trans-117.5128.6173.3-62.2-44.4000108.9N4 G75N4-N73 VanDerWaalsContact OD1-CA 3.31Å; N4-N73 WeakPolarHBondContact OD1-CA 3.05Å; N73-G75 PolarHBondContact O-N 3.23Å
74D84.8Confident90.6Very high86 Ų8643.1 Ų43.146%0.4622%0.22SC..EExtended strand (participates in β ladder)trans54.728.9-179.6-81-19.7000115.3K2 F3 N4K2-D74 HydrophobicContact CD-CB 4.02Å; F3-D74 PolarHBondContact O-N 2.64Å; N4-D74 PolarHBondContact ND2-OD1 3.43Å; N4-D74 PolarHBondContact OD1-N 2.9Å
75G85.5Confident90.2Very high0 Ų045.6 Ų45.60%023%0.234CC..EExtended strand (participates in β ladder)trans-72.5140.1-175.400000113.3K2 F3 D46 N73K2-G75 CarbonylContact C-O 3.57Å; K2-G75 WeakPolarHBondContact CA-O 3.23Å; F3-G75 PolarHBondContact N-O 3.26Å; F3-G75 PolarHBondContact O-N 3.33Å; D46-G75 WeakPolarHBondContact OD2-CA 3.21Å; N73-G75 PolarHBondContact O-N 3.23Å
76K87.1Confident89.2Confident94 Ų9442.5 Ų42.541%0.40922%0.218SC..  trans-108.1-42.1178-62.3-176.5175.7-168.20113.2K2 D46 Q100 F101K2-K76 HydrophobicContact CG-CG 4.24Å; D46-K76 WeakPolarHBondContact OD1-CA 3.33Å; D46-K76 WeakPolarHBondContact OD1-CB 3.24Å; D46-K76 PolarHBondContact OD1-N 2.93Å; D46-K76 PolarHBondContact OD2-N 3.46Å; D46-K76 VanDerWaalsContact OD2-N 3.16Å; K76-Q100 PolarHBondContact O-OE1 3.11Å; K76-F101 VanDerWaalsContact O-CD2 3.28Å; K76-F101 WeakPolarHBondContact O-CD2 3.36Å; K76-F101 PolarHBondContact O-N 2.9Å
77Q88.9Confident87.3Confident60 Ų6047.8 Ų47.828%0.2826%0.255SS..EExtended strand (participates in β ladder)trans-145.4159.3-174.864.1-17629.600112.7V45 D46 T98 I99V45-Q77 WeakPolarHBondContact CA-O 3.04Å; D46-Q77 PolarHBondContact N-O 2.86Å; D46-Q77 PolarHBondContact OD1-N 3.48Å; Q77-T98 HydrophobicContact CB-CG2 3.98Å; Q77-T98 HydrophobicContact CG-CG2 4.07Å; Q77-I99 CarbonylContact C-O 3.59Å; Q77-I99 VanDerWaalsContact CA-O 3.24Å; Q77-I99 WeakPolarHBondContact CA-O 3.15Å; Q77-I99 WeakPolarHBondContact CB-O 3.35Å
78I90.6Very high85.1Confident0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-113.8132.4168.9-169.4173.3000109.5L7 L9 V43 K44 V45 T98 I99 F101L7-I78 HydrophobicContact CD2-CD1 4.02Å; L9-I78 HydrophobicContact CD2-CD1 3.9Å; V43-I78 HydrophobicContact CG1-CD1 4.11Å; V43-I78 HydrophobicContact CG1-CG1 4.27Å; K44-I78 CarbonylContact O-C 3.55Å; K44-I78 VanDerWaalsContact O-CA 3.31Å; K44-I78 WeakPolarHBondContact O-CA 3.34Å; K44-I78 WeakPolarHBondContact O-CG1 3.49Å; V45-I78 HydrophobicContact CG2-CG1 4.4Å; I78-T98 CarbonylContact O-C 3.58Å; I78-T98 WeakPolarHBondContact O-CA 3.49Å; I78-I99 HydrophobicContact CG2-CB 3.85Å; I78-I99 HydrophobicContact CG2-CD1 3.79Å; I78-I99 HydrophobicContact CG2-CG1 4.48Å; I78-I99 PolarHBondContact N-O 3.15Å; I78-I99 PolarHBondContact O-N 3.28Å; I78-F101 HydrophobicContact CB-CE1 4.37Å; I78-F101 HydrophobicContact CB-CZ 4.3Å
79E91.9Very high83.3Confident17 Ų1750.8 Ų50.88%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-111.8131.1174.3-177.4-173.1-159.700109.7K44 N96 C97K44-E79 HydrophobicContact CB-CB 4.3Å; K44-E79 WeakPolarHBondContact CD-OE2 3.47Å; K44-E79 PolarHBondContact N-O 3.2Å; K44-E79 IonicContact NZ-OE2 3.67Å; K44-E79 PolarHBondContact NZ-OE2 2.99Å; K44-E79 PolarHBondContact O-N 3.26Å; E79-N96 PolarHBondContact OE1-ND2 3.15Å; E79-C97 WeakPolarHBondContact CA-O 3.38Å
80L93.8Very high82Confident1 Ų155.7 Ų55.71%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-110.4111.4168.3-53.5177.2000107.9L9 I11 I41 V43 N96 C97 V126 V128L9-L80 HydrophobicContact CD2-CD2 3.75Å; I11-L80 HydrophobicContact CD1-CD2 4.32Å; I41-L80 HydrophobicContact CG2-CB 4.16Å; V43-L80 HydrophobicContact CB-CD2 4.38Å; V43-L80 HydrophobicContact CG1-CD2 4.11Å; V43-L80 HydrophobicContact CG2-CD2 3.92Å; L80-N96 CarbonylContact O-C 3.44Å; L80-N96 WeakPolarHBondContact O-CA 3.46Å; L80-N96 VanDerWaalsContact O-CB 3.3Å; L80-N96 WeakPolarHBondContact O-CB 3.29Å; L80-C97 PolarHBondContact N-O 2.84Å; L80-C97 PolarHBondContact O-N 3.47Å; L80-V126 HydrophobicContact CD1-CG1 4.13Å; L80-V128 HydrophobicContact CD1-CG1 3.65Å
81A92.8Very high81.4Confident0 Ų054.7 Ų54.70%029%0.292CS..EExtended strand (participates in β ladder)trans-114.7121.7-17900000110.7I41 V42 F83 N96 I163I41-A81 WeakPolarHBondContact CA-O 3.4Å; V42-A81 PolarHBondContact N-O 2.88Å; V42-A81 PolarHBondContact O-N 3.33Å; A81-F83 HydrophobicContact CB-CD2 4.46Å; A81-F83 HydrophobicContact CB-CE2 3.66Å; A81-F83 HydrophobicContact CB-CZ 4.25Å; A81-N96 HydrophobicContact CB-CB 4.12Å; A81-I163 HydrophobicContact CB-CD1 4.09Å
82V93.9Very high81.2Confident0 Ų050.5 Ų50.50%027%0.27CS..EExtended strand (participates in β ladder)trans-91.9130.8179.7-165.60000109.8L17 P39 Y40 I41 V94 A95 L120L17-V82 HydrophobicContact CD1-CG1 3.95Å; L17-V82 HydrophobicContact CD2-CG1 4.45Å; P39-V82 HydrophobicContact CB-CG1 4.16Å; Y40-V82 WeakPolarHBondContact O-CA 3.25Å; I41-V82 HydrophobicContact CD1-CG2 4.35Å; I41-V82 HydrophobicContact CG1-CG1 4.42Å; I41-V82 HydrophobicContact CG1-CG2 4.1Å; V82-V94 HydrophobicContact CB-CB 4.12Å; V82-V94 HydrophobicContact CG1-CB 4.06Å; V82-V94 HydrophobicContact CG1-CG1 4.24Å; V82-V94 PolarHBondContact O-N 3.24Å; V82-A95 WeakPolarHBondContact CB-O 3Å; V82-A95 PolarHBondContact N-O 3.13Å; V82-A95 PolarHBondContact O-N 3.07Å; V82-L120 HydrophobicContact CG2-CD1 3.86Å; V82-L120 HydrophobicContact CG2-CD2 4.26Å
83F92.5Very high81.3Confident2 Ų250.2 Ų50.21%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-127.6152.1177.5-67.7-86.7000111.1P39 Y40 V42 A81 D91 D92 F93 I163 M172P39-F83 CarbonylContact C-O 3.56Å; P39-F83 VanDerWaalsContact CA-O 3.25Å; P39-F83 WeakPolarHBondContact CA-O 3.28Å; Y40-F83 HydrophobicContact CD1-CB 4.24Å; Y40-F83 HydrophobicContact CD2-CB 4.5Å; Y40-F83 HydrophobicContact CE1-CB 3.63Å; Y40-F83 HydrophobicContact CE2-CB 3.94Å; Y40-F83 HydrophobicContact CE2-CD2 4.11Å; Y40-F83 HydrophobicContact CE2-CG 4.36Å; Y40-F83 VanDerWaalsContact CZ-CB 3.46Å; Y40-F83 PolarHBondContact N-O 2.82Å; Y40-F83 PolarHBondContact O-N 2.64Å; V42-F83 HydrophobicContact CB-CD2 4.49Å; V42-F83 HydrophobicContact CB-CE2 4.25Å; V42-F83 HydrophobicContact CG2-CD2 3.85Å; V42-F83 HydrophobicContact CG2-CE2 3.93Å; A81-F83 HydrophobicContact CB-CD2 4.46Å; A81-F83 HydrophobicContact CB-CE2 3.66Å; A81-F83 HydrophobicContact CB-CZ 4.25Å; F83-D91 HydrophobicContact CB-CB 4.24Å; F83-D91 HydrophobicContact CD1-CB 4.49Å; F83-D92 CarbonylContact C-O 3.26Å; F83-D92 VanDerWaalsContact CA-O 3.29Å; F83-D92 WeakPolarHBondContact CA-O 3.49Å; F83-F93 HydrophobicContact CD1-CB 4.46Å; F83-F93 HydrophobicContact CE1-CB 4.25Å; F83-F93 HydrophobicContact CE1-CD2 4.4Å; F83-I163 HydrophobicContact CZ-CD1 4.14Å; F83-M172 HydrophobicContact CE1-CE 4.09Å; F83-M172 HydrophobicContact CE1-SD 4.25Å
84H89.9Confident81.5Confident37 Ų3744.2 Ų44.217%0.17124%0.236CC..EExtended strand (participates in β ladder)trans-95.5119.3168.6173.230.9000109.4L37 D38 T86 D91 D92 V94L37-H84 HydrophobicContact CD2-CB 4.06Å; D38-H84 PolarHBondContact N-CE1 3.48Å; D38-H84 PolarHBondContact N-ND1 3.04Å; H84-T86 PolarHBondContact O-N 3.13Å; H84-D91 CarbonylContact O-C 3.48Å; H84-D91 VanDerWaalsContact O-CA 3.24Å; H84-D91 WeakPolarHBondContact O-CA 3.47Å; H84-D91 VanDerWaalsContact O-CB 3.25Å; H84-D91 WeakPolarHBondContact O-CB 3.4Å; H84-D92 HydrophobicContact CB-CB 4.18Å; H84-D92 PolarHBondContact N-O 3.4Å; H84-D92 PolarHBondContact O-N 3.38Å; H84-D92 VanDerWaalsContact O-N 3.13Å; H84-V94 HydrophobicContact CB-CG2 3.96Å
85D86.3Confident81.8Confident62 Ų6240.1 Ų40.133%0.33221%0.214SC..  trans-65.8125.9176.7-161.4-1.4000110.8D38 Y40 T55D38-D85 HydrophobicContact CB-CB 4.07Å; D38-D85 PolarHBondContact O-N 3.43Å; Y40-D85 HydrophobicContact CD1-CB 4.11Å; Y40-D85 HydrophobicContact CE1-CB 4.17Å; T55-D85 HydrophobicContact CG2-CB 3.57Å; T55-D85 WeakPolarHBondContact CG2-OD2 3.49Å; T55-D85 PolarHBondContact OG1-OD2 3.09Å
86T72.3Confident82.2Confident26 Ų2640.1 Ų40.116%0.1621%0.214CC..  trans-123.7141.5179.569.30000111.4H84 L88 G89 Y90 D91H84-T86 PolarHBondContact O-N 3.13Å; T86-L88 PolarHBondContact O-N 3.21Å; T86-G89 PolarHBondContact O-N 3.33Å; T86-G89 VanDerWaalsContact O-N 3.14Å; T86-Y90 VanDerWaalsContact OG1-C 3.31Å; T86-Y90 PolarHBondContact OG1-O 2.99Å; T86-D91 PolarHBondContact N-OD1 2.87Å
87P53.2Low82.4Confident141 Ų14136.2 Ų36.292%0.91620%0.199SC*.THydrogen-bonded Turntrans-59.7-21.9-178.9-2433.1000114.7
88L49.1Very low82.5Confident152 Ų15236 Ų3680%0.79620%0.201SC*.THydrogen-bonded Turntrans-89.21.3-176.3-62171.1000113.2T86 Y90T86-L88 PolarHBondContact O-N 3.21Å; L88-Y90 VanDerWaalsContact C-N 3.3Å; L88-Y90 WeakPolarHBondContact O-CD2 3.42Å; L88-Y90 PolarHBondContact O-N 2.9Å
89G52.6Low82.3Confident44 Ų4437 Ų3745%0.45421%0.207SC..SBendtrans800.3172.400000116.4T86 R161T86-G89 PolarHBondContact O-N 3.33Å; T86-G89 VanDerWaalsContact O-N 3.14Å; G89-R161 PolarHBondContact O-NH2 3.45Å
90Y63.7Low82.1Confident155 Ų15539.7 Ų39.761%0.60822%0.219SC*.  trans-104.478.5172.7-60.9-80.4000109.7T86 L88 D92T86-Y90 VanDerWaalsContact OG1-C 3.31Å; T86-Y90 PolarHBondContact OG1-O 2.99Å; L88-Y90 VanDerWaalsContact C-N 3.3Å; L88-Y90 WeakPolarHBondContact O-CD2 3.42Å; L88-Y90 PolarHBondContact O-N 2.9Å; Y90-D92 PolarHBondContact O-N 3.16Å
91D78.6Confident81.8Confident19 Ų1939.7 Ų39.710%0.10222%0.219CC..PPolyproline II helixtrans-65.6129.7-176.5-52.7-21.6000111.5Y40 F83 H84 T86 R161Y40-D91 HydrophobicContact CE1-CB 4.26Å; Y40-D91 PolarHBondContact OH-OD2 2.79Å; F83-D91 HydrophobicContact CB-CB 4.24Å; F83-D91 HydrophobicContact CD1-CB 4.49Å; H84-D91 CarbonylContact O-C 3.48Å; H84-D91 VanDerWaalsContact O-CA 3.24Å; H84-D91 WeakPolarHBondContact O-CA 3.47Å; H84-D91 VanDerWaalsContact O-CB 3.25Å; H84-D91 WeakPolarHBondContact O-CB 3.4Å; T86-D91 PolarHBondContact N-OD1 2.87Å; D91-R161 IonicContact OD2-CZ 3.42Å; D91-R161 IonicContact OD2-NH1 3.96Å; D91-R161 PolarHBondContact OD2-NH1 3.25Å; D91-R161 IonicContact OD2-NH2 3.79Å; D91-R161 PolarHBondContact OD2-NH2 2.85Å
92D84.2Confident81.2Confident29 Ų2943.2 Ų43.216%0.15524%0.235CC..EExtended strand (participates in β ladder)trans-76.1133.8-176.3-87.7-25000110.9S23 F83 H84 Y90 V94S23-D92 WeakPolarHBondContact CA-OD2 3.43Å; S23-D92 WeakPolarHBondContact CB-OD2 3.26Å; S23-D92 PolarHBondContact OG-OD2 2.73Å; F83-D92 CarbonylContact C-O 3.26Å; F83-D92 VanDerWaalsContact CA-O 3.29Å; F83-D92 WeakPolarHBondContact CA-O 3.49Å; H84-D92 HydrophobicContact CB-CB 4.18Å; H84-D92 PolarHBondContact N-O 3.4Å; H84-D92 PolarHBondContact O-N 3.38Å; H84-D92 VanDerWaalsContact O-N 3.13Å; Y90-D92 PolarHBondContact O-N 3.16Å; D92-V94 PolarHBondContact O-N 2.77Å
93F89.8Confident80.4Confident0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-67.3130.9170.9171.2-93.1000110.7T20 F83 A95 N96 I163 K170 M172 Q201 V202T20-F93 HydrophobicContact CG2-CD1 4.16Å; T20-F93 VanDerWaalsContact CG2-O 3.25Å; T20-F93 WeakPolarHBondContact CG2-O 3.48Å; T20-F93 PolarHBondContact OG1-O 2.85Å; F83-F93 HydrophobicContact CD1-CB 4.46Å; F83-F93 HydrophobicContact CE1-CB 4.25Å; F83-F93 HydrophobicContact CE1-CD2 4.4Å; F93-A95 VanDerWaalsContact CZ-C 3.4Å; F93-A95 VanDerWaalsContact CZ-CA 3.48Å; F93-N96 HydrophobicContact CE2-CB 3.9Å; F93-N96 HydrophobicContact CZ-CB 4.2Å; F93-I163 HydrophobicContact CD2-CD1 3.7Å; F93-I163 HydrophobicContact CE2-CD1 3.68Å; F93-K170 HydrophobicContact CE1-CB 4.24Å; F93-K170 HydrophobicContact CE1-CG 4.08Å; F93-K170 HydrophobicContact CZ-CB 4.35Å; F93-K170 HydrophobicContact CZ-CD 4.43Å; F93-K170 HydrophobicContact CZ-CG 4.03Å; F93-M172 HydrophobicContact CB-SD 3.97Å; F93-Q201 HydrophobicContact CB-CB 3.75Å; F93-Q201 HydrophobicContact CB-CG 3.91Å; F93-Q201 HydrophobicContact CD1-CB 3.66Å; F93-Q201 HydrophobicContact CG-CB 3.96Å; F93-Q201 HydrophobicContact CG-CG 4.41Å; F93-V202 HydrophobicContact CE1-CG2 4.15Å
94V90.3Very high79.6Confident3 Ų347.1 Ų47.12%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-103.6-60.8178.5177.10000110.1L17 T20 L37 V82 H84 D92 P122L17-V94 HydrophobicContact CB-CG1 4.26Å; L17-V94 HydrophobicContact CD2-CG1 4.39Å; T20-V94 VanDerWaalsContact CG2-O 3.3Å; T20-V94 WeakPolarHBondContact CG2-O 3.27Å; L37-V94 HydrophobicContact CD1-CG1 3.91Å; L37-V94 HydrophobicContact CD1-CG2 4.17Å; L37-V94 HydrophobicContact CD2-CG2 4.32Å; V82-V94 HydrophobicContact CB-CB 4.12Å; V82-V94 HydrophobicContact CG1-CB 4.06Å; V82-V94 HydrophobicContact CG1-CG1 4.24Å; V82-V94 PolarHBondContact O-N 3.24Å; H84-V94 HydrophobicContact CB-CG2 3.96Å; D92-V94 PolarHBondContact O-N 2.77Å; V94-P122 WeakPolarHBondContact O-CD 3.4Å
95A91.8Very high78.5Confident0 Ų048.2 Ų48.20%026%0.263CS..EExtended strand (participates in β ladder)trans-162.7163.6-178.800000111.5V82 F93 L120 E121 E123V82-A95 WeakPolarHBondContact CB-O 3Å; V82-A95 PolarHBondContact N-O 3.13Å; V82-A95 PolarHBondContact O-N 3.07Å; F93-A95 VanDerWaalsContact CZ-C 3.4Å; F93-A95 VanDerWaalsContact CZ-CA 3.48Å; A95-L120 HydrophobicContact CB-CB 3.78Å; A95-L120 HydrophobicContact CB-CD1 4.38Å; A95-E121 CarbonylContact C-O 3.52Å; A95-E121 WeakPolarHBondContact CA-O 3.42Å; A95-E121 WeakPolarHBondContact CB-O 3.46Å; A95-E123 WeakPolarHBondContact CB-O 3.37Å
96N93.2Very high77.4Confident1 Ų152 Ų521%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-144.9162.1168.470.1-25.3000113.2E79 L80 A81 F93 E121 K170E79-N96 PolarHBondContact OE1-ND2 3.15Å; L80-N96 CarbonylContact O-C 3.44Å; L80-N96 WeakPolarHBondContact O-CA 3.46Å; L80-N96 VanDerWaalsContact O-CB 3.3Å; L80-N96 WeakPolarHBondContact O-CB 3.29Å; A81-N96 HydrophobicContact CB-CB 4.12Å; F93-N96 HydrophobicContact CE2-CB 3.9Å; F93-N96 HydrophobicContact CZ-CB 4.2Å; N96-E121 PolarHBondContact N-O 3.34Å; N96-E121 PolarHBondContact O-N 3.28Å; N96-K170 VanDerWaalsContact OD1-CE 3.29Å; N96-K170 WeakPolarHBondContact OD1-CE 3.42Å; N96-K170 PolarHBondContact OD1-NZ 3.01Å
97C91.9Very high76.7Confident12 Ų1255.4 Ų55.48%0.08130%0.297CS..EExtended strand (participates in β ladder)trans-132.9150.7161.966.60000110.3E79 L80 D119 L120E79-C97 WeakPolarHBondContact CA-O 3.38Å; L80-C97 PolarHBondContact N-O 2.84Å; L80-C97 PolarHBondContact O-N 3.47Å; C97-D119 WeakPolarHBondContact CB-O 3.43Å; C97-L120 HydrophobicContact CB-CD2 3.97Å
98T89.3Confident76.7Confident55 Ų5549.7 Ų49.734%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-125.6130.9175.7-56.70000108.3Q77 I78Q77-T98 HydrophobicContact CB-CG2 3.98Å; Q77-T98 HydrophobicContact CG-CG2 4.07Å; I78-T98 CarbonylContact O-C 3.58Å; I78-T98 WeakPolarHBondContact O-CA 3.49Å
99I88Confident76.8Confident22 Ų2250.9 Ų50.911%0.11327%0.268CS..EExtended strand (participates in β ladder)trans-120.1123.9178.5-50.3106000108.3Q77 I78 M104 M118Q77-I99 CarbonylContact C-O 3.59Å; Q77-I99 VanDerWaalsContact CA-O 3.24Å; Q77-I99 WeakPolarHBondContact CA-O 3.15Å; Q77-I99 WeakPolarHBondContact CB-O 3.35Å; I78-I99 HydrophobicContact CG2-CB 3.85Å; I78-I99 HydrophobicContact CG2-CD1 3.79Å; I78-I99 HydrophobicContact CG2-CG1 4.48Å; I78-I99 PolarHBondContact N-O 3.15Å; I78-I99 PolarHBondContact O-N 3.28Å; I99-M104 HydrophobicContact CG2-CG 3.46Å; I99-M104 VanDerWaalsContact CG2-CG 3.46Å; I99-M104 HydrophobicContact CG2-SD 3.89Å; I99-M118 HydrophobicContact CB-CE 4.49Å; I99-M118 HydrophobicContact CD1-CE 3.56Å; I99-M118 HydrophobicContact CD1-SD 3.22Å; I99-M118 WeakPolarHBondContact CD1-SD 3.29Å; I99-M118 HydrophobicContact CG1-CE 3.55Å; I99-M118 HydrophobicContact CG1-SD 3.55Å; I99-M118 VanDerWaalsContact CG1-SD 3.55Å; I99-M118 HydrophobicContact CG2-CE 4.39Å
100Q87.7Confident76.8Confident72 Ų7253.6 Ų53.634%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-72.9134.7169.6-59.4-60.8-3400108.4K76 E102 D103K76-Q100 PolarHBondContact O-OE1 3.11Å; Q100-E102 PolarHBondContact O-N 3.05Å; Q100-E102 VanDerWaalsContact O-N 3.13Å; Q100-D103 HydrophobicContact CB-CB 4.46Å; Q100-D103 PolarHBondContact O-N 2.97Å
101F85.9Confident76.5Confident2 Ų248.4 Ų48.41%0.00927%0.269CS..Hα-helixtrans-59.1-29.4177.5-69.9-63.3000111.9F3 L7 V45 V72 K76 I78 D103 M104 L132 F136F3-F101 HydrophobicContact CB-CB 4.27Å; F3-F101 HydrophobicContact CB-CD2 3.93Å; F3-F101 HydrophobicContact CB-CE2 4.47Å; F3-F101 HydrophobicContact CB-CG 4.1Å; L7-F101 HydrophobicContact CD1-CE1 4.43Å; L7-F101 HydrophobicContact CD2-CE1 4.3Å; L7-F101 HydrophobicContact CD2-CZ 4.24Å; V45-F101 HydrophobicContact CG1-CE2 4.03Å; V45-F101 HydrophobicContact CG1-CZ 4.12Å; V45-F101 HydrophobicContact CG2-CZ 4.31Å; V72-F101 HydrophobicContact CG1-CE2 4.45Å; K76-F101 VanDerWaalsContact O-CD2 3.28Å; K76-F101 WeakPolarHBondContact O-CD2 3.36Å; K76-F101 PolarHBondContact O-N 2.9Å; I78-F101 HydrophobicContact CB-CE1 4.37Å; I78-F101 HydrophobicContact CB-CZ 4.3Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 2.97Å; F101-M104 HydrophobicContact CD1-SD 3.88Å; F101-M104 WeakPolarHBondContact O-CB 3.3Å; F101-M104 PolarHBondContact O-N 3.06Å; F101-L132 HydrophobicContact CD1-CD1 3.93Å; F101-L132 HydrophobicContact CD1-CD2 4.06Å; F101-L132 HydrophobicContact CE1-CD2 3.94Å; F101-F136 HydrophobicContact CB-CE1 3.75Å; F101-F136 HydrophobicContact CB-CZ 4.27Å
102E80.4Confident76Confident73 Ų7353.4 Ų53.434%0.34129%0.292SS..Hα-helixtrans-61.9-36.7175-167.3-174.7143.400113.1M1 Q100 M104 I105 K106M1-E102 HydrophobicContact CB-CG 4.47Å; M1-E102 HydrophobicContact SD-CG 4.49Å; Q100-E102 PolarHBondContact O-N 3.05Å; Q100-E102 VanDerWaalsContact O-N 3.13Å; E102-M104 VanDerWaalsContact C-N 3.27Å; E102-M104 PolarHBondContact O-N 2.79Å; E102-I105 PolarHBondContact O-N 3.36Å; E102-K106 IonicContact OE1-NZ 3.05Å; E102-K106 PolarHBondContact OE1-NZ 3.45Å
103D78.4Confident75.7Confident79 Ų7954.9 Ų54.942%0.42230%0.302SS..Hα-helixtrans-73.1-24.6-178.7-66-27.4000112.1Q100 F101 I105 K106 T107Q100-D103 HydrophobicContact CB-CB 4.46Å; Q100-D103 PolarHBondContact O-N 2.97Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 2.97Å; D103-I105 VanDerWaalsContact C-N 3.33Å; D103-K106 PolarHBondContact O-N 2.83Å; D103-T107 PolarHBondContact O-N 2.8Å; D103-T107 PolarHBondContact O-OG1 3.13Å
104M74.9Confident75.4Confident6 Ų656.7 Ų56.73%0.0331%0.31CS..Hα-helixtrans-69.8-32.4177.4-57.9-178.860.300112I99 F101 E102 S108 F114 I130 L132I99-M104 HydrophobicContact CG2-CG 3.46Å; I99-M104 VanDerWaalsContact CG2-CG 3.46Å; I99-M104 HydrophobicContact CG2-SD 3.89Å; F101-M104 HydrophobicContact CD1-SD 3.88Å; F101-M104 WeakPolarHBondContact O-CB 3.3Å; F101-M104 PolarHBondContact O-N 3.06Å; E102-M104 VanDerWaalsContact C-N 3.27Å; E102-M104 PolarHBondContact O-N 2.79Å; M104-S108 PolarHBondContact O-OG 2.94Å; M104-F114 HydrophobicContact CE-CB 3.77Å; M104-F114 HydrophobicContact CE-CG 4.36Å; M104-I130 HydrophobicContact CE-CB 3.49Å; M104-I130 VanDerWaalsContact CE-CB 3.49Å; M104-I130 HydrophobicContact CE-CD1 3.51Å; M104-I130 HydrophobicContact CE-CG1 4.07Å; M104-I130 HydrophobicContact CE-CG2 3.44Å; M104-I130 VanDerWaalsContact CE-CG2 3.44Å; M104-I130 HydrophobicContact SD-CD1 4.28Å; M104-L132 HydrophobicContact CB-CD1 4.48Å; M104-L132 HydrophobicContact CE-CD1 4.11Å; M104-L132 HydrophobicContact SD-CD1 4.22Å
105I66.9Low75.4Confident60 Ų6062.7 Ų62.731%0.30834%0.338SS..Hα-helixtrans-67.9-44.5176.6-55.1172.3000110.1M1 E102 D103 T107 S108 F136M1-I105 HydrophobicContact SD-CD1 4.37Å; E102-I105 PolarHBondContact O-N 3.36Å; D103-I105 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 2.69Å; I105-S108 PolarHBondContact O-OG 2.85Å; I105-F136 HydrophobicContact CD1-CD1 3.93Å; I105-F136 HydrophobicContact CD1-CD2 3.7Å; I105-F136 HydrophobicContact CD1-CE1 3.75Å; I105-F136 HydrophobicContact CD1-CE2 3.52Å; I105-F136 HydrophobicContact CD1-CG 3.9Å; I105-F136 HydrophobicContact CD1-CZ 3.54Å; I105-F136 HydrophobicContact CG1-CE1 4.41Å; I105-F136 HydrophobicContact CG1-CE2 3.93Å; I105-F136 HydrophobicContact CG1-CZ 3.84Å
106K63.3Low75.3Confident142 Ų14263.5 Ų63.562%0.61735%0.346SS*.Hα-helixtrans-67.2-19.6-175.5-66.5173.5-172.21600113.5E102 D103E102-K106 IonicContact OE1-NZ 3.05Å; E102-K106 PolarHBondContact OE1-NZ 3.45Å; D103-K106 PolarHBondContact O-N 2.83Å
107T56.9Low75.2Confident96 Ų9668.5 Ų68.559%0.58937%0.365SS*.Hα-helixtrans-103.7-10-171.7-41.90000113D103 I105 F114D103-T107 PolarHBondContact O-N 2.8Å; D103-T107 PolarHBondContact O-OG1 3.13Å; I105-T107 PolarHBondContact O-N 2.69Å; T107-F114 HydrophobicContact CG2-CE2 4.22Å
108S54.7Low75.2Confident22 Ų2268.7 Ų68.715%0.15437%0.365CS..  trans-102.8128-177.660.20000112M104 I105 T110 G111 T113M104-S108 PolarHBondContact O-OG 2.94Å; I105-S108 PolarHBondContact O-OG 2.85Å; S108-T110 PolarHBondContact O-N 2.88Å; S108-G111 PolarHBondContact OG-N 2.88Å; S108-T113 WeakPolarHBondContact CB-O 3.44Å
109N50.1Low75.3Confident177 Ų17771.2 Ų71.295%0.94738%0.376SS*.THydrogen-bonded Turntrans-71.1-10.6175.1-76-21.6000113.1
110T52.9Low75.4Confident101 Ų10170.5 Ų70.562%0.6237%0.373SS*.THydrogen-bonded Turntrans-118.8-1.5-174.953.10000114.1S108 E112 T113S108-T110 PolarHBondContact O-N 2.88Å; T110-E112 PolarHBondContact O-N 2.9Å; T110-T113 PolarHBondContact OG1-OG1 2.85Å
111G57.1Low75.3Confident45 Ų4570.4 Ų70.446%0.46437%0.372SS..SBendtrans74.2-14.6173.500000117S108S108-G111 PolarHBondContact OG-N 2.88Å
112E68.2Low75.3Confident124 Ų12471.1 Ų71.158%0.57938%0.377SS*.SBendtrans-122.6-13.8-170.6-63.7-176.3165.100114.6T110 S131 L132T110-E112 PolarHBondContact O-N 2.9Å; E112-S131 CarbonylContact O-C 3.57Å; E112-S131 VanDerWaalsContact O-CA 3.31Å; E112-S131 WeakPolarHBondContact O-CA 3.3Å; E112-L132 PolarHBondContact O-N 3.41Å
113T77.3Confident75.7Confident61 Ų6170.9 Ų70.937%0.37438%0.376SS..EExtended strand (participates in β ladder)trans-139128.9-173.950.10000113S108 T110 I130S108-T113 WeakPolarHBondContact CB-O 3.44Å; T110-T113 PolarHBondContact OG1-OG1 2.85Å; T113-I130 CarbonylContact C-O 3.51Å; T113-I130 VanDerWaalsContact CA-O 3.3Å; T113-I130 WeakPolarHBondContact CA-O 3.39Å
114F84.8Confident76.3Confident37 Ų3767.6 Ų67.616%0.16236%0.36CS..EExtended strand (participates in β ladder)trans-108128.5170176.8-84.1000109.8M104 T107 M118 V128 L129 I130M104-F114 HydrophobicContact CE-CB 3.77Å; M104-F114 HydrophobicContact CE-CG 4.36Å; T107-F114 HydrophobicContact CG2-CE2 4.22Å; F114-M118 HydrophobicContact CD1-CE 3.56Å; F114-M118 HydrophobicContact CE1-CE 3.08Å; F114-M118 HydrophobicContact CE1-CG 4.19Å; F114-M118 HydrophobicContact CE1-SD 4.4Å; F114-M118 HydrophobicContact CG-CE 4.47Å; F114-M118 HydrophobicContact CZ-CE 3.63Å; F114-M118 HydrophobicContact CZ-CG 4.38Å; F114-V128 HydrophobicContact CD1-CG2 4.32Å; F114-V128 HydrophobicContact CE1-CG2 4.1Å; F114-L129 CarbonylContact O-C 3.52Å; F114-L129 WeakPolarHBondContact O-CA 3.46Å; F114-I130 HydrophobicContact CB-CB 4.44Å; F114-I130 HydrophobicContact CD1-CD1 4.5Å; F114-I130 PolarHBondContact N-O 2.89Å; F114-I130 PolarHBondContact O-N 2.79Å
115E89.6Confident77.2Confident130 Ų13071.4 Ų71.461%0.60738%0.376SS*.EExtended strand (participates in β ladder)trans-134.2127.7175.9-173.9-174.2154.400109.4Y127 L129E115-Y127 VanDerWaalsContact CD-OH 3.32Å; E115-Y127 HydrophobicContact CG-CE2 4.43Å; E115-Y127 VanDerWaalsContact CG-OH 3.3Å; E115-Y127 WeakPolarHBondContact CG-OH 3.35Å; E115-Y127 PolarHBondContact OE1-OH 2.9Å; E115-L129 HydrophobicContact CB-CD1 3.7Å; E115-L129 HydrophobicContact CG-CD1 3.91Å
116G90.1Very high78.6Confident16 Ų1668.5 Ų68.517%0.16536%0.362CS..EExtended strand (participates in β ladder)trans159.4-176.3171.300000115.5V128G116-V128 PolarHBondContact N-O 2.59Å; G116-V128 PolarHBondContact O-N 3.15Å
117W91.7Very high80.1Confident107 Ų10764.9 Ų64.941%0.40535%0.345SS..EExtended strand (participates in β ladder)trans-79.6132.6174.8-71.298.7000111.2E13 L15 K125 Y127E13-W117 HydrophobicContact CG-CH2 3.62Å; E13-W117 HydrophobicContact CG-CZ2 4.3Å; E13-W117 HydrophobicContact CG-CZ3 4.41Å; L15-W117 HydrophobicContact CD1-CH2 3.3Å; L15-W117 HydrophobicContact CD1-CZ2 3.87Å; L15-W117 HydrophobicContact CD1-CZ3 3.83Å; L15-W117 HydrophobicContact CD2-CH2 4.35Å; L15-W117 HydrophobicContact CG-CH2 3.51Å; L15-W117 HydrophobicContact CG-CZ3 3.79Å; W117-K125 HydrophobicContact CE3-CB 3.78Å; W117-K125 HydrophobicContact CZ3-CB 4.25Å; W117-Y127 HydrophobicContact CD2-CD2 4.12Å; W117-Y127 AromaticContact CE2-CD2 3.91Å; W117-Y127 HydrophobicContact CG-CD2 4.22Å; W117-Y127 HydrophobicContact CZ2-CD2 4.42Å; W117-Y127 AromaticContact NE1-CD2 3.83Å
118M90.1Very high81.8Confident16 Ų1660.3 Ų60.38%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-113.7131.1172.6-63.4-174.6170.500109.5I99 F114 K125 V126 V128 I130I99-M118 HydrophobicContact CB-CE 4.49Å; I99-M118 HydrophobicContact CD1-CE 3.56Å; I99-M118 HydrophobicContact CD1-SD 3.22Å; I99-M118 WeakPolarHBondContact CD1-SD 3.29Å; I99-M118 HydrophobicContact CG1-CE 3.55Å; I99-M118 HydrophobicContact CG1-SD 3.55Å; I99-M118 VanDerWaalsContact CG1-SD 3.55Å; I99-M118 HydrophobicContact CG2-CE 4.39Å; F114-M118 HydrophobicContact CD1-CE 3.56Å; F114-M118 HydrophobicContact CE1-CE 3.08Å; F114-M118 HydrophobicContact CE1-CG 4.19Å; F114-M118 HydrophobicContact CE1-SD 4.4Å; F114-M118 HydrophobicContact CG-CE 4.47Å; F114-M118 HydrophobicContact CZ-CE 3.63Å; F114-M118 HydrophobicContact CZ-CG 4.38Å; M118-K125 CarbonylContact O-C 3.54Å; M118-K125 WeakPolarHBondContact O-CA 3.32Å; M118-K125 WeakPolarHBondContact O-CB 3.45Å; M118-V126 HydrophobicContact CB-CG1 4.15Å; M118-V126 PolarHBondContact N-O 3.08Å; M118-V126 PolarHBondContact O-N 2.93Å; M118-V128 HydrophobicContact CE-CG2 3.42Å; M118-V128 VanDerWaalsContact CE-CG2 3.42Å; M118-V128 HydrophobicContact CG-CG2 3.97Å; M118-V128 HydrophobicContact SD-CG2 3.48Å; M118-V128 WeakPolarHBondContact SD-CG2 3.33Å; M118-I130 HydrophobicContact CE-CD1 3.97Å
119D91.4Very high83.6Confident107 Ų10761.8 Ų61.857%0.57232%0.323SS*.EExtended strand (participates in β ladder)trans-71.1131.1174-66.2-49.4000109.8C97 K125C97-D119 WeakPolarHBondContact CB-O 3.43Å; D119-K125 VanDerWaalsContact OD1-CD 3.3Å; D119-K125 WeakPolarHBondContact OD1-CD 3.5Å; D119-K125 WeakPolarHBondContact OD1-CE 3.32Å; D119-K125 WeakPolarHBondContact OD1-CG 3.35Å; D119-K125 IonicContact OD1-NZ 2.62Å; D119-K125 PolarHBondContact OD1-NZ 2.93Å
120L91.1Very high85.6Confident8 Ų853.4 Ų53.44%0.04228%0.278CS..  trans-94.7146.5172.7-65.2168.6000109.7L17 V82 A95 C97 E123 G124 V126L17-L120 HydrophobicContact CD2-CD1 3.65Å; V82-L120 HydrophobicContact CG2-CD1 3.86Å; V82-L120 HydrophobicContact CG2-CD2 4.26Å; A95-L120 HydrophobicContact CB-CB 3.78Å; A95-L120 HydrophobicContact CB-CD1 4.38Å; C97-L120 HydrophobicContact CB-CD2 3.97Å; L120-E123 PolarHBondContact O-N 3.49Å; L120-G124 PolarHBondContact N-O 2.98Å; L120-V126 HydrophobicContact CD1-CB 4.18Å; L120-V126 HydrophobicContact CD1-CG1 4.45Å; L120-V126 HydrophobicContact CD2-CB 4.47Å; L120-V126 HydrophobicContact CD2-CG1 3.88Å; L120-V126 HydrophobicContact CG-CB 4.38Å; L120-V126 HydrophobicContact CG-CG1 4.14Å
121E86.5Confident87.3Confident69 Ų6950 Ų5032%0.32226%0.258SS..BIsolated β-bridgetrans-107.7131.7174.7-60-176.315000110.7A95 N96 K170 M222A95-E121 CarbonylContact C-O 3.52Å; A95-E121 WeakPolarHBondContact CA-O 3.42Å; A95-E121 WeakPolarHBondContact CB-O 3.46Å; N96-E121 PolarHBondContact N-O 3.34Å; N96-E121 PolarHBondContact O-N 3.28Å; E121-K170 IonicContact OE2-NZ 3.94Å; E121-K170 PolarHBondContact OE2-NZ 2.9Å; E121-M222 HydrophobicContact CB-CE 3.64Å; E121-M222 HydrophobicContact CB-SD 4.45Å; E121-M222 VanDerWaalsContact CD-CE 3.48Å; E121-M222 HydrophobicContact CG-CE 4.02Å; E121-M222 WeakPolarHBondContact OE2-CE 3.18Å
122P84.8Confident88.7Confident17 Ų1748.6 Ų48.611%0.1124%0.24CC..SBendcis-83-25.48.932.3-36.3000115T20 V94 V202 M222T20-P122 HydrophobicContact CG2-CG 4.43Å; V94-P122 WeakPolarHBondContact O-CD 3.4Å; P122-V202 HydrophobicContact CB-CG1 4.07Å; P122-V202 HydrophobicContact CG-CG1 4.13Å; P122-M222 HydrophobicContact CB-SD 4.21Å
123E88.5Confident89.6Confident69 Ų6946.7 Ų46.732%0.32224%0.237SC..SBendtrans-145.7155.1-178.6-64.8-167.2-15100111.8K18 A95 L120K18-E123 VanDerWaalsContact CD-OE2 3.28Å; K18-E123 WeakPolarHBondContact CD-OE2 3.47Å; K18-E123 VanDerWaalsContact CE-OE2 3.3Å; K18-E123 WeakPolarHBondContact CE-OE2 3.44Å; K18-E123 IonicContact NZ-OE2 3.1Å; K18-E123 PolarHBondContact NZ-OE2 2.94Å; A95-E123 WeakPolarHBondContact CB-O 3.37Å; L120-E123 PolarHBondContact O-N 3.49Å
124G91.4Very high89.9Confident9 Ų946.4 Ų46.49%0.09325%0.246CC..  trans105.9172.6179.200000113.3L15 D16 L120L15-G124 CarbonylContact O-C 3.56Å; L15-G124 WeakPolarHBondContact O-CA 3.39Å; D16-G124 WeakPolarHBondContact O-CA 3.44Å; L120-G124 PolarHBondContact N-O 2.98Å
125K94.3Very high89.8Confident86 Ų8647.9 Ų47.937%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-141.1150.7171.6-54.3-171-173.7-129.60109.9A14 L15 W117 M118 D119A14-K125 CarbonylContact C-O 3.58Å; A14-K125 WeakPolarHBondContact CA-O 3.4Å; A14-K125 WeakPolarHBondContact CB-O 3.5Å; L15-K125 PolarHBondContact N-O 2.99Å; L15-K125 PolarHBondContact O-N 2.65Å; W117-K125 HydrophobicContact CE3-CB 3.78Å; W117-K125 HydrophobicContact CZ3-CB 4.25Å; M118-K125 CarbonylContact O-C 3.54Å; M118-K125 WeakPolarHBondContact O-CA 3.32Å; M118-K125 WeakPolarHBondContact O-CB 3.45Å; D119-K125 VanDerWaalsContact OD1-CD 3.3Å; D119-K125 WeakPolarHBondContact OD1-CD 3.5Å; D119-K125 WeakPolarHBondContact OD1-CE 3.32Å; D119-K125 WeakPolarHBondContact OD1-CG 3.35Å; D119-K125 IonicContact OD1-NZ 2.62Å; D119-K125 PolarHBondContact OD1-NZ 2.93Å
126V95.5Very high89.4Confident0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-124.7135.9173.363.70000110I11 A14 I41 L80 M118 L120 V128I11-V126 HydrophobicContact CG2-CG2 4.13Å; A14-V126 HydrophobicContact CB-CB 4.39Å; A14-V126 HydrophobicContact CB-CG2 4.41Å; I41-V126 HydrophobicContact CD1-CG2 3.97Å; L80-V126 HydrophobicContact CD1-CG1 4.13Å; M118-V126 HydrophobicContact CB-CG1 4.15Å; M118-V126 PolarHBondContact N-O 3.08Å; M118-V126 PolarHBondContact O-N 2.93Å; L120-V126 HydrophobicContact CD1-CB 4.18Å; L120-V126 HydrophobicContact CD1-CG1 4.45Å; L120-V126 HydrophobicContact CD2-CB 4.47Å; L120-V126 HydrophobicContact CD2-CG1 3.88Å; L120-V126 HydrophobicContact CG-CB 4.38Å; L120-V126 HydrophobicContact CG-CG1 4.14Å; V126-V128 HydrophobicContact CG1-CG1 4.28Å; V126-V128 HydrophobicContact CG2-CG1 4.08Å
127Y95Very high88.9Confident66 Ų6646.9 Ų46.926%0.25926%0.255SS..EExtended strand (participates in β ladder)trans-90.9126.6173.4-178.7-91.2000109.8G12 E13 E115 W117G12-Y127 PolarHBondContact N-O 3.16Å; E13-Y127 PolarHBondContact O-N 3.06Å; E115-Y127 VanDerWaalsContact CD-OH 3.32Å; E115-Y127 HydrophobicContact CG-CE2 4.43Å; E115-Y127 VanDerWaalsContact CG-OH 3.3Å; E115-Y127 WeakPolarHBondContact CG-OH 3.35Å; E115-Y127 PolarHBondContact OE1-OH 2.9Å; W117-Y127 HydrophobicContact CD2-CD2 4.12Å; W117-Y127 AromaticContact CE2-CD2 3.91Å; W117-Y127 HydrophobicContact CG-CD2 4.22Å; W117-Y127 HydrophobicContact CZ2-CD2 4.42Å; W117-Y127 AromaticContact NE1-CD2 3.83Å
128V93.9Very high87.9Confident0 Ų046.3 Ų46.30%026%0.26CS..EExtended strand (participates in β ladder)trans-135150.7179.6-59.50000112.3L9 R10 L80 F114 G116 M118 V126 I130L9-V128 HydrophobicContact CD1-CB 4.01Å; L9-V128 HydrophobicContact CD1-CG1 4.15Å; R10-V128 WeakPolarHBondContact O-CA 3.31Å; L80-V128 HydrophobicContact CD1-CG1 3.65Å; F114-V128 HydrophobicContact CD1-CG2 4.32Å; F114-V128 HydrophobicContact CE1-CG2 4.1Å; G116-V128 PolarHBondContact N-O 2.59Å; G116-V128 PolarHBondContact O-N 3.15Å; M118-V128 HydrophobicContact CE-CG2 3.42Å; M118-V128 VanDerWaalsContact CE-CG2 3.42Å; M118-V128 HydrophobicContact CG-CG2 3.97Å; M118-V128 HydrophobicContact SD-CG2 3.48Å; M118-V128 WeakPolarHBondContact SD-CG2 3.33Å; V126-V128 HydrophobicContact CG1-CG1 4.28Å; V126-V128 HydrophobicContact CG2-CG1 4.08Å; V128-I130 HydrophobicContact CB-CG1 4.49Å; V128-I130 HydrophobicContact CG2-CD1 4.13Å; V128-I130 HydrophobicContact CG2-CG1 4.28Å
129L92Very high86.4Confident53 Ų5350.5 Ų50.528%0.27728%0.283SS..EExtended strand (participates in β ladder)trans-122.4120168.317271.4000107.6L9 R10 F114 E115L9-L129 CarbonylContact C-O 3.35Å; R10-L129 HydrophobicContact CB-CB 4.26Å; R10-L129 PolarHBondContact N-O 2.9Å; R10-L129 PolarHBondContact O-N 3.26Å; F114-L129 CarbonylContact O-C 3.52Å; F114-L129 WeakPolarHBondContact O-CA 3.46Å; E115-L129 HydrophobicContact CB-CD1 3.7Å; E115-L129 HydrophobicContact CG-CD1 3.91Å
130I90.5Very high84.4Confident0 Ų052.2 Ų52.20%030%0.297CS..EExtended strand (participates in β ladder)trans-122.9129.6-178.8-52.4168.7000109.6L7 K8 L9 M104 T113 F114 M118 V128 L132L7-I130 HydrophobicContact CD1-CG2 3.3Å; K8-I130 CarbonylContact O-C 3.5Å; K8-I130 VanDerWaalsContact O-CA 3.28Å; K8-I130 WeakPolarHBondContact O-CA 3.39Å; L9-I130 HydrophobicContact CD1-CD1 4.08Å; L9-I130 HydrophobicContact CD1-CG1 3.51Å; M104-I130 HydrophobicContact CE-CB 3.49Å; M104-I130 VanDerWaalsContact CE-CB 3.49Å; M104-I130 HydrophobicContact CE-CD1 3.51Å; M104-I130 HydrophobicContact CE-CG1 4.07Å; M104-I130 HydrophobicContact CE-CG2 3.44Å; M104-I130 VanDerWaalsContact CE-CG2 3.44Å; M104-I130 HydrophobicContact SD-CD1 4.28Å; T113-I130 CarbonylContact C-O 3.51Å; T113-I130 VanDerWaalsContact CA-O 3.3Å; T113-I130 WeakPolarHBondContact CA-O 3.39Å; F114-I130 HydrophobicContact CB-CB 4.44Å; F114-I130 HydrophobicContact CD1-CD1 4.5Å; F114-I130 PolarHBondContact N-O 2.89Å; F114-I130 PolarHBondContact O-N 2.79Å; M118-I130 HydrophobicContact CE-CD1 3.97Å; V128-I130 HydrophobicContact CB-CG1 4.49Å; V128-I130 HydrophobicContact CG2-CD1 4.13Å; V128-I130 HydrophobicContact CG2-CG1 4.28Å; I130-L132 HydrophobicContact CG2-CD2 4.42Å; I130-L132 HydrophobicContact CG2-CG 4.44Å
131S89.2Confident82.2Confident29 Ų2955.7 Ų55.720%0.20333%0.327CS..EExtended strand (participates in β ladder)trans-116.5133.1172-40.30000109.8K8 E112K8-S131 PolarHBondContact N-O 3.05Å; K8-S131 PolarHBondContact O-N 3.14Å; E112-S131 CarbonylContact O-C 3.57Å; E112-S131 VanDerWaalsContact O-CA 3.31Å; E112-S131 WeakPolarHBondContact O-CA 3.3Å
132L87Confident80Confident16 Ų1658.6 Ų58.68%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-120.2122.2178.7-64.1174.9000108.7F3 L7 F101 M104 E112 I130 F136F3-L132 HydrophobicContact CD1-CD2 4.23Å; F3-L132 HydrophobicContact CE1-CD2 3.77Å; F3-L132 HydrophobicContact CE2-CB 4.01Å; F3-L132 HydrophobicContact CE2-CD2 4.35Å; F3-L132 HydrophobicContact CZ-CB 3.96Å; F3-L132 HydrophobicContact CZ-CD2 3.83Å; F3-L132 HydrophobicContact CZ-CG 4.45Å; L7-L132 HydrophobicContact CB-CD2 4.12Å; L7-L132 HydrophobicContact CD1-CD2 3.49Å; L7-L132 VanDerWaalsContact CD1-CD2 3.49Å; L7-L132 HydrophobicContact CG-CD2 4.36Å; F101-L132 HydrophobicContact CD1-CD1 3.93Å; F101-L132 HydrophobicContact CD1-CD2 4.06Å; F101-L132 HydrophobicContact CE1-CD2 3.94Å; M104-L132 HydrophobicContact CB-CD1 4.48Å; M104-L132 HydrophobicContact CE-CD1 4.11Å; M104-L132 HydrophobicContact SD-CD1 4.22Å; E112-L132 PolarHBondContact O-N 3.41Å; I130-L132 HydrophobicContact CG2-CD2 4.42Å; I130-L132 HydrophobicContact CG2-CG 4.44Å; L132-F136 HydrophobicContact CD1-CZ 4.11Å
133T87.1Confident77.7Confident85 Ų8564 Ų6452%0.52138%0.382SS..EExtended strand (participates in β ladder)trans-123.2104.6175.3-510000108.5G5 Y6G5-T133 CarbonylContact C-O 3.55Å; G5-T133 WeakPolarHBondContact CA-O 3.45Å; Y6-T133 PolarHBondContact N-O 3.46Å; Y6-T133 PolarHBondContact O-N 3.45Å
134G84.1Confident75.4Confident55 Ų5570.5 Ų70.557%0.56741%0.409SS*.EExtended strand (participates in β ladder)trans170.4-156.7-173.100000114.3N4N4-G134 WeakPolarHBondContact O-CA 3.22Å
135S81.8Confident72.6Confident68 Ų6878 Ų7848%0.47644%0.442SS..EExtended strand (participates in β ladder)trans-126.1154-178.563.30000111.7N4N4-S135 PolarHBondContact N-O 3.42Å; N4-S135 PolarHBondContact O-N 2.8Å
136F81.7Confident69.9Low64 Ų6481.8 Ų81.828%0.28147%0.466SS..EExtended strand (participates in β ladder)trans-114.4132.3175.4-74.2-89.8000109.9M1 K2 F3 F101 I105 L132M1-F136 HydrophobicContact CG-CB 3.89Å; M1-F136 HydrophobicContact CG-CD1 4.13Å; M1-F136 HydrophobicContact CG-CG 4.45Å; M1-F136 HydrophobicContact SD-CB 3.8Å; M1-F136 HydrophobicContact SD-CD1 4.17Å; M1-F136 HydrophobicContact SD-CG 4.21Å; K2-F136 CarbonylContact O-C 3.52Å; K2-F136 VanDerWaalsContact O-CA 3.25Å; K2-F136 WeakPolarHBondContact O-CA 3.25Å; F3-F136 HydrophobicContact CB-CD1 4.06Å; F3-F136 HydrophobicContact CB-CE1 3.65Å; F3-F136 HydrophobicContact CB-CZ 4.17Å; F3-F136 HydrophobicContact CD2-CD1 4.25Å; F3-F136 HydrophobicContact CD2-CD2 4.14Å; F3-F136 AromaticContact CD2-CE1 3.77Å; F3-F136 HydrophobicContact CD2-CE1 3.77Å; F3-F136 AromaticContact CD2-CE2 3.63Å; F3-F136 HydrophobicContact CD2-CE2 3.63Å; F3-F136 HydrophobicContact CD2-CG 4.43Å; F3-F136 AromaticContact CD2-CZ 3.43Å; F3-F136 HydrophobicContact CD2-CZ 3.43Å; F3-F136 VanDerWaalsContact CD2-CZ 3.43Å; F3-F136 HydrophobicContact CE2-CE2 4.11Å; F3-F136 HydrophobicContact CE2-CZ 4.19Å; F3-F136 HydrophobicContact CG-CE1 4.1Å; F3-F136 HydrophobicContact CG-CZ 4.11Å; F101-F136 HydrophobicContact CB-CE1 3.75Å; F101-F136 HydrophobicContact CB-CZ 4.27Å; I105-F136 HydrophobicContact CD1-CD1 3.93Å; I105-F136 HydrophobicContact CD1-CD2 3.7Å; I105-F136 HydrophobicContact CD1-CE1 3.75Å; I105-F136 HydrophobicContact CD1-CE2 3.52Å; I105-F136 HydrophobicContact CD1-CG 3.9Å; I105-F136 HydrophobicContact CD1-CZ 3.54Å; I105-F136 HydrophobicContact CG1-CE1 4.41Å; I105-F136 HydrophobicContact CG1-CE2 3.93Å; I105-F136 HydrophobicContact CG1-CZ 3.84Å; L132-F136 HydrophobicContact CD1-CZ 4.11Å
137T79.5Confident66.8Low61 Ų6187.8 Ų87.837%0.37450%0.503SS..EExtended strand (participates in β ladder)trans-116.4136.8178.555.10000110.8M1 K2M1-T137 CarbonylContact C-O 3.46Å; M1-T137 WeakPolarHBondContact CA-O 3.46Å; K2-T137 PolarHBondContact N-O 3.14Å; K2-T137 PolarHBondContact O-N 2.78Å
138D71.6Confident63.9Low95 Ų9594 Ų9451%0.50853%0.534SS..  trans-82.7146.7174.6-85-30.4000112.4M1 V140 A141M1-D138 WeakPolarHBondContact CE-OD1 3.46Å; D138-V140 PolarHBondContact O-N 3.36Å; D138-A141 PolarHBondContact O-N 3.32Å
139D57.5Low61.1Low103 Ų103102.3 Ų102.355%0.55157%0.57SS**THydrogen-bonded Turntrans-64.2-8.3-179.6-82.2-45.7000113.5K2K2-D139 WeakPolarHBondContact CE-OD1 3.41Å; K2-D139 IonicContact NZ-OD1 2.64Å
140V48.7Very low58Low143 Ų143109 Ų10987%0.86760%0.6SS**THydrogen-bonded Turntrans-97.9-9.1-173.1-160.60000113.2D138D138-V140 PolarHBondContact O-N 3.36Å
141A44.7Very low55.1Low82 Ų82116.8 Ų116.868%0.67863%0.634SS**  trans-11968.3-174.400000112.7D138D138-A141 PolarHBondContact O-N 3.32Å
142V40.4Very low52.2Low130 Ų130121.9 Ų121.979%0.78866%0.664SS**  trans-138.398.4159.3-172.30000109.7
143T37.9Very low49.7Very low131 Ų131132.5 Ų132.580%0.80470%0.703SS**  trans-52132.7156.318.40000109.4E145T143-E145 PolarHBondContact O-N 3.42Å
144K38.9Very low47.1Very low205 Ų205136.6 Ų136.689%0.89172%0.716SS**  trans-58.3103.9175.2-75.7177.2174.1176.70110.5
145E32.5Very low44.9Very low167 Ų167146.1 Ų146.178%0.7874%0.735SS**  trans-114.2119.6154.4-80.1-168.7159.100109.8T143 T147T143-E145 PolarHBondContact O-N 3.42Å; E145-T147 PolarHBondContact O-N 3.43Å; E145-T147 VanDerWaalsContact O-N 3.13Å
146N38.3Very low42.8Very low165 Ų165151.3 Ų151.388%0.88275%0.752SS**  trans-69.599.6173.9-78.2-28.3000109.1
147T30.6Very low40.4Very low125 Ų125151.7 Ų151.777%0.76777%0.774SS**  trans-110.6120162.228.10000109.9E145 K149E145-T147 PolarHBondContact O-N 3.43Å; E145-T147 VanDerWaalsContact O-N 3.13Å; T147-K149 PolarHBondContact O-N 2.73Å
148H33.5Very low38.2Very low197 Ų197153.5 Ų153.591%0.91280%0.795SS**  trans-50.6115175.2-88.3-101000110.8Q150H148-Q150 PolarHBondContact O-N 3.16Å; H148-Q150 VanDerWaalsContact O-N 3.07Å
149K34.8Very low36.9Very low175 Ų175152.2 Ų152.276%0.76179%0.79SS**  trans-74.296.7169.9-68-171.3-179.9-175.30109.4T147 F151T147-K149 PolarHBondContact O-N 2.73Å; K149-F151 HydrophobicContact CB-CD2 3.83Å; K149-F151 HydrophobicContact CB-CE2 3.73Å; K149-F151 HydrophobicContact CD-CE2 3.57Å; K149-F151 HydrophobicContact CD-CZ 4.03Å; K149-F151 HydrophobicContact CG-CE2 4.24Å; K149-F151 PolarHBondContact O-N 2.96Å
150Q28.2Very low36.5Very low192 Ų192157.8 Ų157.890%0.89780%0.804SS**  trans-76.995.5161.8-132.5175.37.300107.4H148 T152H148-Q150 PolarHBondContact O-N 3.16Å; H148-Q150 VanDerWaalsContact O-N 3.07Å; Q150-T152 PolarHBondContact O-N 2.94Å
151F29.8Very low37.2Very low164 Ų164154.9 Ų154.972%0.71978%0.777SS**  trans-81.7105.1172.6-85.6-83000109.4K149 R153K149-F151 HydrophobicContact CB-CD2 3.83Å; K149-F151 HydrophobicContact CB-CE2 3.73Å; K149-F151 HydrophobicContact CD-CE2 3.57Å; K149-F151 HydrophobicContact CD-CZ 4.03Å; K149-F151 HydrophobicContact CG-CE2 4.24Å; K149-F151 PolarHBondContact O-N 2.96Å; F151-R153 PolarHBondContact O-N 2.91Å; F151-R153 VanDerWaalsContact O-N 3.09Å
152T28.2Very low38.5Very low137 Ų137157.2 Ų157.284%0.8477%0.769SS**  trans-67.498.815638.50000107.9Q150 E154Q150-T152 PolarHBondContact O-N 2.94Å; T152-E154 PolarHBondContact O-N 2.9Å; T152-E154 VanDerWaalsContact O-N 3.07Å
153R35Very low40.4Very low239 Ų239151.9 Ų151.990%0.90274%0.735SS**  trans-73.189.9171.9-95.2179.7161.5178.3-4109.3F151F151-R153 PolarHBondContact O-N 2.91Å; F151-R153 VanDerWaalsContact O-N 3.09Å
154E30.9Very low42.6Very low170 Ų170147.1 Ų147.179%0.79470%0.704SS**  trans-84.8123.2147.8-74.8-172.6163.200108.1T152 Q156T152-E154 PolarHBondContact O-N 2.9Å; T152-E154 VanDerWaalsContact O-N 3.07Å; E154-Q156 PolarHBondContact O-N 3.27Å
155R38.7Very low44.8Very low255 Ų255141.8 Ų141.896%0.96268%0.682SS**  trans-67.691.7-179.6-75.8178.2173.6178.8-2.2109.8
156Q36.8Very low47.3Very low177 Ų177134.2 Ų134.283%0.82765%0.648SS**PPolyproline II helixtrans-88.5120.5164.1-68.8-175.3-9.800108.9E154E154-Q156 PolarHBondContact O-N 3.27Å
157G33Very low49.5Very low73 Ų73128.5 Ų128.575%0.75362%0.617SS**PPolyproline II helixtrans-59.5138.4-16900000114V159G157-V159 PolarHBondContact O-N 3.23Å
158A33Very low52Low99 Ų99123.2 Ų123.282%0.81859%0.587SS**PPolyproline II helixtrans-60.1130.9175.800000111.4R160A158-R160 PolarHBondContact O-N 3.01Å
159V43.5Very low54.7Low67 Ų67114 Ų11441%0.40654%0.544SS..PPolyproline II helixtrans-68116.4-179.1-178.30000110K49 G157 R161K49-V159 HydrophobicContact CB-CG2 3.88Å; G157-V159 PolarHBondContact O-N 3.23Å; V159-R161 PolarHBondContact O-N 3.25Å
160R48.8Very low57.3Low220 Ų220105.7 Ų105.783%0.8351%0.508SS*.SBendtrans-64.3-6.3-179.2-87.6179.9166.9-179.4-5.1115.2A158 K195A158-R160 PolarHBondContact O-N 3.01Å; R160-K195 PolarHBondContact O-NZ 3.39Å
161R63.1Low60.2Low82 Ų8296.5 Ų96.531%0.30947%0.466SS..  trans-141.974.7-159.8-57.8176.8-177.2171-8.2114.4Y40 G89 D91 V159Y40-R161 PolarHBondContact OH-NH1 2.92Å; G89-R161 PolarHBondContact O-NH2 3.45Å; D91-R161 IonicContact OD2-CZ 3.42Å; D91-R161 IonicContact OD2-NH1 3.96Å; D91-R161 PolarHBondContact OD2-NH1 3.25Å; D91-R161 IonicContact OD2-NH2 3.79Å; D91-R161 PolarHBondContact OD2-NH2 2.85Å; V159-R161 PolarHBondContact O-N 3.25Å
162R71.8Confident62.8Low131 Ų13189.7 Ų89.749%0.49444%0.436SS..  trans-92.8136.2175.3-167.1177.9-168.3-167.34.3111.7D47D47-R162 IonicContact OD1-CZ 3.65Å; D47-R162 VanDerWaalsContact OD1-CZ 3.27Å; D47-R162 IonicContact OD1-NE 3.41Å; D47-R162 PolarHBondContact OD1-NE 3.17Å; D47-R162 IonicContact OD1-NH2 2.83Å; D47-R162 PolarHBondContact OD1-NH2 3.02Å; D47-R162 IonicContact OD2-CZ 2.75Å; D47-R162 IonicContact OD2-NH2 2.78Å; D47-R162 PolarHBondContact OD2-NH2 2.67Å
163I80.9Confident65.3Low18 Ų1884.4 Ų84.49%0.09241%0.405CS..EExtended strand (participates in β ladder)trans-103.3126.8174.8-58.8164.9000108.1A81 F83 F93 K170 M172A81-I163 HydrophobicContact CB-CD1 4.09Å; F83-I163 HydrophobicContact CZ-CD1 4.14Å; F93-I163 HydrophobicContact CD2-CD1 3.7Å; F93-I163 HydrophobicContact CE2-CD1 3.68Å; I163-K170 HydrophobicContact CG2-CB 3.96Å; I163-K170 HydrophobicContact CG2-CD 4.33Å; I163-M172 HydrophobicContact CB-CG 4.44Å; I163-M172 HydrophobicContact CG1-CG 3.84Å; I163-M172 HydrophobicContact CG1-SD 3.84Å
164H83.9Confident67.2Low32 Ų3274.3 Ų74.315%0.14837%0.37CS..EExtended strand (participates in β ladder)trans-104110.5176.6-67.3-106.5000109.1F171 Y198 H212H164-F171 HydrophobicContact CB-CB 4.05Å; H164-F171 PolarHBondContact N-O 3.43Å; H164-F171 WeakPolarHBondContact O-CB 3.4Å; H164-F171 PolarHBondContact O-N 3.48Å; H164-Y198 HydrophobicContact CB-CE2 4.29Å; H164-Y198 AromaticContact CD2-CE2 3.76Å; H164-Y198 AromaticContact CD2-CZ 3.84Å; H164-Y198 AromaticContact CE1-CE2 3.99Å; H164-Y198 PolarHBondContact CE1-OH 3.18Å; H164-Y198 AromaticContact CG-CE2 3.74Å; H164-Y198 AromaticContact ND1-CE2 3.87Å; H164-Y198 AromaticContact NE2-CE2 3.96Å; H164-Y198 AromaticContact NE2-CZ 3.7Å; H164-Y198 PolarHBondContact NE2-OH 2.97Å; H164-H212 AromaticContact ND1-NE2 3.46Å; H164-H212 PolarHBondContact ND1-NE2 2.74Å
165Q85.4Confident69Low92 Ų9269.4 Ų69.443%0.4335%0.346SS..EExtended strand (participates in β ladder)trans-93121.5179.7-178.4164.1-16.100111.4H169 K170Q165-H169 VanDerWaalsContact CA-O 3.28Å; Q165-H169 WeakPolarHBondContact CA-O 3.4Å; Q165-K170 HydrophobicContact CB-CD 4.49Å; Q165-K170 HydrophobicContact CG-CD 4.33Å
166V85.1Confident70.4Confident9 Ų957.8 Ų57.86%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-138.7118.3176.4-176.50000109.4G168 H169 F171 H212 A308V166-G168 PolarHBondContact O-N 3.1Å; V166-G168 VanDerWaalsContact O-N 3.08Å; V166-H169 PolarHBondContact N-O 2.74Å; V166-H169 VanDerWaalsContact O-CB 3.29Å; V166-H169 WeakPolarHBondContact O-CB 3.23Å; V166-H169 PolarHBondContact O-N 3.04Å; V166-F171 HydrophobicContact CB-CD2 4.41Å; V166-F171 HydrophobicContact CB-CE2 4.31Å; V166-F171 HydrophobicContact CG2-CD2 4.46Å; V166-H212 WeakPolarHBondContact CG1-O 3.48Å; V166-A308 HydrophobicContact CG1-CB 4.05Å
167N84.6Confident71.4Confident44 Ų4455 Ų5524%0.23529%0.285CS..THydrogen-bonded Turntrans4740.8-179.4-68.5-26.6000113.6H169 V215 V216 V218 C219 A308 G309N167-H169 VanDerWaalsContact C-N 3.27Å; N167-H169 PolarHBondContact O-N 2.73Å; N167-V215 PolarHBondContact ND2-O 2.82Å; N167-V216 PolarHBondContact ND2-O 2.73Å; N167-V218 WeakPolarHBondContact O-CA 3.47Å; N167-C219 PolarHBondContact O-N 3.08Å; N167-A308 WeakPolarHBondContact ND2-CB 3.37Å; N167-G309 PolarHBondContact OD1-N 3.01Å; N167-G309 VanDerWaalsContact OD1-N 3.14Å
168G84.3Confident72.7Confident14 Ų1453.6 Ų53.614%0.14426%0.258CS..THydrogen-bonded Turntrans80.1-9.9-177.500000115.6V166 M222V166-G168 PolarHBondContact O-N 3.1Å; V166-G168 VanDerWaalsContact O-N 3.08Å; G168-M222 WeakPolarHBondContact O-CG 3.28Å
169H88.7Confident74.4Confident3 Ų351.8 Ų51.81%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-70.7131.4169.6-68.5-100.9000110.2Q165 V166 N167 F171 C200 C203 T217 C219Q165-H169 VanDerWaalsContact CA-O 3.28Å; Q165-H169 WeakPolarHBondContact CA-O 3.4Å; V166-H169 PolarHBondContact N-O 2.74Å; V166-H169 VanDerWaalsContact O-CB 3.29Å; V166-H169 WeakPolarHBondContact O-CB 3.23Å; V166-H169 PolarHBondContact O-N 3.04Å; N167-H169 VanDerWaalsContact C-N 3.27Å; N167-H169 PolarHBondContact O-N 2.73Å; H169-F171 HydrophobicContact CB-CD2 3.78Å; H169-F171 HydrophobicContact CB-CE1 4.36Å; H169-F171 HydrophobicContact CB-CE2 3.3Å; H169-F171 HydrophobicContact CB-CG 4.49Å; H169-F171 HydrophobicContact CB-CZ 3.63Å; H169-F171 AromaticContact CG-CE2 3.92Å; H169-F171 AromaticContact CG-CZ 3.84Å; H169-F171 AromaticContact ND1-CZ 3.88Å; H169-C200 HydrophobicContact CB-CB 4.37Å; H169-C203 VanDerWaalsContact CE1-SG 3.54Å; H169-C203 PolarHBondContact ND1-SG 3.43Å; H169-T217 PolarHBondContact CD2-O 3.32Å; H169-T217 PolarHBondContact NE2-O 3.09Å; H169-C219 HydrophobicContact CB-CB 4.47Å; H169-C219 WeakPolarHBondContact NE2-CA 3.4Å; H169-C219 PolarHBondContact NE2-N 3.32Å
170K89.7Confident76.1Confident1 Ų148.7 Ų48.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-101.981.7175.9-52-71.7173.3159.80108.8F93 N96 E121 I163 Q165 M172 C200 Q201 V202F93-K170 HydrophobicContact CE1-CB 4.24Å; F93-K170 HydrophobicContact CE1-CG 4.08Å; F93-K170 HydrophobicContact CZ-CB 4.35Å; F93-K170 HydrophobicContact CZ-CD 4.43Å; F93-K170 HydrophobicContact CZ-CG 4.03Å; N96-K170 VanDerWaalsContact OD1-CE 3.29Å; N96-K170 WeakPolarHBondContact OD1-CE 3.42Å; N96-K170 PolarHBondContact OD1-NZ 3.01Å; E121-K170 IonicContact OE2-NZ 3.94Å; E121-K170 PolarHBondContact OE2-NZ 2.9Å; I163-K170 HydrophobicContact CG2-CB 3.96Å; I163-K170 HydrophobicContact CG2-CD 4.33Å; Q165-K170 HydrophobicContact CB-CD 4.49Å; Q165-K170 HydrophobicContact CG-CD 4.33Å; K170-M172 PolarHBondContact O-N 2.93Å; K170-C200 WeakPolarHBondContact O-CA 3.47Å; K170-Q201 PolarHBondContact O-N 3.28Å; K170-V202 HydrophobicContact CB-CG2 4.01Å; K170-V202 HydrophobicContact CG-CG2 3.66Å
171F89.9Confident77.7Confident0 Ų041 Ų410%019%0.193CC..EExtended strand (participates in β ladder)trans-76.2123.1-176.9-73.5-65.2000110.7H164 V166 H169 Y198 C200 V207 H212 V215H164-F171 HydrophobicContact CB-CB 4.05Å; H164-F171 PolarHBondContact N-O 3.43Å; H164-F171 WeakPolarHBondContact O-CB 3.4Å; H164-F171 PolarHBondContact O-N 3.48Å; V166-F171 HydrophobicContact CB-CD2 4.41Å; V166-F171 HydrophobicContact CB-CE2 4.31Å; V166-F171 HydrophobicContact CG2-CD2 4.46Å; H169-F171 HydrophobicContact CB-CD2 3.78Å; H169-F171 HydrophobicContact CB-CE1 4.36Å; H169-F171 HydrophobicContact CB-CE2 3.3Å; H169-F171 HydrophobicContact CB-CG 4.49Å; H169-F171 HydrophobicContact CB-CZ 3.63Å; H169-F171 AromaticContact CG-CE2 3.92Å; H169-F171 AromaticContact CG-CZ 3.84Å; H169-F171 AromaticContact ND1-CZ 3.88Å; F171-Y198 HydrophobicContact CB-CD2 4.07Å; F171-Y198 HydrophobicContact CB-CG 4.29Å; F171-C200 HydrophobicContact CD1-CB 3.98Å; F171-C200 HydrophobicContact CE1-CB 3.79Å; F171-C200 HydrophobicContact CZ-CB 4.48Å; F171-V207 HydrophobicContact CD1-CG2 3.87Å; F171-V207 HydrophobicContact CE1-CG1 4.43Å; F171-V207 HydrophobicContact CE1-CG2 3.5Å; F171-V207 HydrophobicContact CZ-CG1 4.45Å; F171-V207 HydrophobicContact CZ-CG2 3.87Å; F171-H212 HydrophobicContact CD2-CB 3.92Å; F171-H212 HydrophobicContact CE2-CB 4.2Å; F171-H212 HydrophobicContact CG-CB 4.22Å; F171-V215 HydrophobicContact CE2-CG2 4.29Å; F171-V215 HydrophobicContact CZ-CG2 4.04Å
172M84.4Confident78.9Confident20 Ų2037.2 Ų37.210%0.09918%0.178CC..EExtended strand (participates in β ladder)trans-114.8147.1169-74-179.256.900109.4F83 F93 I163 K170 T174 Y198 Q199 Q201F83-M172 HydrophobicContact CE1-CE 4.09Å; F83-M172 HydrophobicContact CE1-SD 4.25Å; F93-M172 HydrophobicContact CB-SD 3.97Å; I163-M172 HydrophobicContact CB-CG 4.44Å; I163-M172 HydrophobicContact CG1-CG 3.84Å; I163-M172 HydrophobicContact CG1-SD 3.84Å; K170-M172 PolarHBondContact O-N 2.93Å; M172-T174 PolarHBondContact O-N 3.37Å; M172-T174 PolarHBondContact O-OG1 2.97Å; M172-Y198 WeakPolarHBondContact O-CA 3.36Å; M172-Q199 PolarHBondContact N-O 3.27Å; M172-Q199 PolarHBondContact O-N 3.46Å; M172-Q201 HydrophobicContact CB-CG 3.82Å; M172-Q201 HydrophobicContact CG-CG 3.71Å; M172-Q201 HydrophobicContact SD-CG 3.56Å; M172-Q201 VanDerWaalsContact SD-CG 3.56Å
173S79.7Confident79.9Confident27 Ų2731.5 Ų31.519%0.18916%0.157CC..EExtended strand (participates in β ladder)trans-71.1120.5175.4-165.50000109.2K195S173-K195 VanDerWaalsContact CB-CD 3.42Å; S173-K195 WeakPolarHBondContact O-CD 3.39Å; S173-K195 WeakPolarHBondContact OG-CB 3.47Å; S173-K195 WeakPolarHBondContact OG-CD 3.28Å
174T74.3Confident80.3Confident26 Ų2631 Ų3116%0.1616%0.155CC..EExtended strand (participates in β ladder)trans-127.5144.8-171-61.50000109.5M172 L176 Q196 G197 Q199M172-T174 PolarHBondContact O-N 3.37Å; M172-T174 PolarHBondContact O-OG1 2.97Å; T174-L176 HydrophobicContact CG2-CD2 4.49Å; T174-Q196 PolarHBondContact O-N 3.29Å; T174-G197 PolarHBondContact N-O 2.87Å; T174-G197 PolarHBondContact O-N 2.8Å; T174-Q199 HydrophobicContact CG2-CB 4.49Å
175F69.3Low80.3Confident67 Ų6731 Ų3129%0.29416%0.157SC..  trans-81.4119.8167.1-175.3-106.4000108.2R177 F508F175-R177 HydrophobicContact CD1-CG 3.82Å; F175-R177 HydrophobicContact CE1-CG 4.04Å; F175-F508 HydrophobicContact CE1-CD1 4.37Å; F175-F508 HydrophobicContact CZ-CD1 4.14Å
176L68.8Low80.2Confident11 Ų1130.6 Ų30.66%0.05815%0.154CC..  trans-92.1109.9-179.4-58.8169.5000106.6T174 Q178 T180 I189 Q196 V206T174-L176 HydrophobicContact CG2-CD2 4.49Å; L176-Q178 PolarHBondContact O-N 3.46Å; L176-T180 HydrophobicContact CD1-CG2 4.1Å; L176-T180 HydrophobicContact CD2-CG2 4.36Å; L176-I189 HydrophobicContact CD1-CB 3.88Å; L176-I189 HydrophobicContact CD1-CD1 3.92Å; L176-I189 HydrophobicContact CD1-CG2 3.55Å; L176-Q196 HydrophobicContact CD1-CB 4.37Å; L176-Q196 PolarHBondContact O-OE1 3.4Å; L176-Q196 VanDerWaalsContact O-OE1 3.08Å; L176-V206 HydrophobicContact CD1-CG1 3.73Å; L176-V206 HydrophobicContact CD2-CG1 3.75Å; L176-V206 HydrophobicContact CD2-CG2 4.35Å; L176-V206 HydrophobicContact CG-CG1 4.4Å
177R58Low79.9Confident120 Ų12036 Ų3645%0.45318%0.179SC..  trans-73.8-15-175.4-64178.2177.7-171.9-7.8113.1F175 E553 D554F175-R177 HydrophobicContact CD1-CG 3.82Å; F175-R177 HydrophobicContact CE1-CG 4.04Å; R177-E553 VanDerWaalsContact CB-OE2 3.32Å; R177-E553 WeakPolarHBondContact CB-OE2 3.48Å; R177-D554 IonicContact CZ-OD1 2.71Å; R177-D554 IonicContact NH1-OD1 3.12Å; R177-D554 PolarHBondContact NH1-OD1 2.97Å
178Q59.3Low79.5Confident42 Ų4236.8 Ų36.820%0.19618%0.18CC..SBendtrans-122.7158.5-177.576.5-165.8-81.400113.1L176 T180 S259 E553L176-Q178 PolarHBondContact O-N 3.46Å; Q178-T180 VanDerWaalsContact CG-OG1 3.29Å; Q178-T180 WeakPolarHBondContact CG-OG1 3.44Å; Q178-T180 PolarHBondContact O-N 2.9Å; Q178-T180 PolarHBondContact O-OG1 2.79Å; Q178-S259 VanDerWaalsContact CD-CB 3.46Å; Q178-S259 VanDerWaalsContact CD-OG 3.31Å; Q178-S259 PolarHBondContact NE2-OG 3.4Å; Q178-S259 PolarHBondContact OE1-OG 3.43Å; Q178-E553 WeakPolarHBondContact CA-OE1 3.36Å; Q178-E553 WeakPolarHBondContact CB-OE1 3.46Å; Q178-E553 VanDerWaalsContact CB-OE2 3.28Å; Q178-E553 WeakPolarHBondContact CB-OE2 3.43Å; Q178-E553 PolarHBondContact N-OE2 3.36Å
179P68.7Low78.8Confident61 Ų6136.2 Ų36.240%0.39617%0.174SC..  trans-49.3108.4161.4-28.637.7000111.8F188 F253P179-F188 VanDerWaalsContact C-CE2 3.43Å; P179-F188 HydrophobicContact CB-CE2 3.34Å; P179-F188 HydrophobicContact CB-CZ 3.55Å; P179-F188 HydrophobicContact CG-CE2 4.5Å; P179-F188 HydrophobicContact CG-CZ 4.29Å; P179-F253 HydrophobicContact CB-CE1 4.19Å; P179-F253 HydrophobicContact CB-CZ 4.5Å; P179-F253 WeakPolarHBondContact O-CE1 3.3Å
180T78.9Confident77.1Confident2 Ų237.3 Ų37.31%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-127.5129.4-170.3-56.50000110.9L176 Q178 F188 I189 V206 G258L176-T180 HydrophobicContact CD1-CG2 4.1Å; L176-T180 HydrophobicContact CD2-CG2 4.36Å; Q178-T180 VanDerWaalsContact CG-OG1 3.29Å; Q178-T180 WeakPolarHBondContact CG-OG1 3.44Å; Q178-T180 PolarHBondContact O-N 2.9Å; Q178-T180 PolarHBondContact O-OG1 2.79Å; T180-F188 VanDerWaalsContact N-CE2 3.29Å; T180-I189 HydrophobicContact CG2-CD1 4.35Å; T180-I189 WeakPolarHBondContact O-CB 3.36Å; T180-I189 PolarHBondContact O-N 3.07Å; T180-V206 HydrophobicContact CG2-CB 4Å; T180-V206 HydrophobicContact CG2-CG1 3.85Å; T180-V206 HydrophobicContact CG2-CG2 4.17Å; T180-G258 WeakPolarHBondContact CA-O 3.46Å
181F83.7Confident75.2Confident60 Ų6037.6 Ų37.626%0.26318%0.181SC..EExtended strand (participates in β ladder)trans-95.2142.9177.2-69.6-94.8000112.7F183 K186 F188 F253 G258F181-F183 PolarHBondContact O-N 3.26Å; F181-K186 VanDerWaalsContact CD1-O 3.29Å; F181-K186 WeakPolarHBondContact CD1-O 3.12Å; F181-F188 HydrophobicContact CD1-CB 4.16Å; F181-F188 HydrophobicContact CD1-CD2 4.28Å; F181-F188 HydrophobicContact CD2-CD2 4.13Å; F181-F188 HydrophobicContact CE1-CB 3.88Å; F181-F188 AromaticContact CE1-CD2 3.96Å; F181-F188 HydrophobicContact CE1-CD2 3.96Å; F181-F188 HydrophobicContact CE1-CG 4.43Å; F181-F188 AromaticContact CE2-CD2 3.77Å; F181-F188 HydrophobicContact CE2-CD2 3.77Å; F181-F188 HydrophobicContact CE2-CE2 4.24Å; F181-F188 HydrophobicContact CG-CD2 4.38Å; F181-F188 HydrophobicContact CZ-CB 4.39Å; F181-F188 AromaticContact CZ-CD2 3.69Å; F181-F188 HydrophobicContact CZ-CD2 3.69Å; F181-F188 HydrophobicContact CZ-CE2 4.46Å; F181-F188 HydrophobicContact CZ-CG 4.49Å; F181-F253 HydrophobicContact CD2-CB 3.8Å; F181-F253 AromaticContact CD2-CD1 3.69Å; F181-F253 HydrophobicContact CD2-CD1 3.69Å; F181-F253 AromaticContact CD2-CD2 3.88Å; F181-F253 HydrophobicContact CD2-CD2 3.88Å; F181-F253 HydrophobicContact CD2-CE1 4.23Å; F181-F253 HydrophobicContact CD2-CE2 4.41Å; F181-F253 AromaticContact CD2-CG 3.49Å; F181-F253 HydrophobicContact CD2-CG 3.49Å; F181-F253 VanDerWaalsContact CD2-CG 3.49Å; F181-F253 HydrophobicContact CE2-CB 4.3Å; F181-F253 AromaticContact CE2-CD1 3.79Å; F181-F253 HydrophobicContact CE2-CD1 3.79Å; F181-F253 AromaticContact CE2-CD2 3.46Å; F181-F253 HydrophobicContact CE2-CD2 3.46Å; F181-F253 VanDerWaalsContact CE2-CD2 3.46Å; F181-F253 AromaticContact CE2-CE1 3.92Å; F181-F253 HydrophobicContact CE2-CE1 3.92Å; F181-F253 AromaticContact CE2-CE2 3.62Å; F181-F253 HydrophobicContact CE2-CE2 3.62Å; F181-F253 AromaticContact CE2-CG 3.56Å; F181-F253 HydrophobicContact CE2-CG 3.56Å; F181-F253 AromaticContact CE2-CZ 3.84Å; F181-F253 HydrophobicContact CE2-CZ 3.84Å; F181-F253 HydrophobicContact CZ-CD2 4.37Å; F181-F253 HydrophobicContact CZ-CE2 4.41Å; F181-G258 PolarHBondContact N-O 3.17Å; F181-G258 WeakPolarHBondContact O-CA 3.4Å
182C87.8Confident73Confident1 Ų138.9 Ų38.91%0.00719%0.189CC..  trans-69.8126.8178.9177.80000111.3H184 C185 K186 E187 I189 H208C182-H184 PolarHBondContact O-N 2.86Å; C182-H184 PolarHBondContact SG-N 3.47Å; C182-C185 VanDerWaalsContact SG-SG 3.64Å; C182-K186 WeakPolarHBondContact O-CA 3.2Å; C182-K186 PolarHBondContact O-N 3.34Å; C182-E187 WeakPolarHBondContact CB-O 3.11Å; C182-E187 PolarHBondContact N-O 2.94Å; C182-I189 HydrophobicContact CB-CD1 4.07Å; C182-I189 HydrophobicContact CB-CG1 3.87Å; C182-H208 WeakPolarHBondContact CB-CE1 3.21Å; C182-H208 WeakPolarHBondContact CB-ND1 3.26Å; C182-H208 PolarHBondContact SG-N 3.09Å; C182-H208 VanDerWaalsContact SG-N 3.41Å; C182-H208 PolarHBondContact SG-ND1 2.82Å
183F92.3Very high70.8Confident11 Ų1144 Ų445%0.04821%0.211CC..THydrogen-bonded Turntrans-54.1-37.1174.8168.1-101.5000112.8F181 K186 C205 V206 V207 V215 D255 M276F181-F183 PolarHBondContact O-N 3.26Å; F183-K186 WeakPolarHBondContact O-CE 3.49Å; F183-K186 PolarHBondContact O-NZ 3.13Å; F183-C205 WeakPolarHBondContact CB-SG 3.38Å; F183-C205 WeakPolarHBondContact CD1-SG 3.4Å; F183-C205 WeakPolarHBondContact CG-SG 3.22Å; F183-V206 VanDerWaalsContact CB-O 3.23Å; F183-V206 WeakPolarHBondContact CB-O 3.44Å; F183-V206 PolarHBondContact N-O 3.28Å; F183-V207 HydrophobicContact CB-CG1 3.96Å; F183-V207 HydrophobicContact CD1-CG1 4.41Å; F183-V215 HydrophobicContact CE1-CG1 4.27Å; F183-D255 VanDerWaalsContact CD2-O 3.27Å; F183-D255 WeakPolarHBondContact CD2-O 3.31Å; F183-M276 HydrophobicContact CE2-CE 4.33Å
184H89.4Confident69.3Low9 Ų945.1 Ų45.14%0.04223%0.226CC..THydrogen-bonded Turntrans-79.1-62.4-174.2178.368.8000112.4C182 V207 C211 L214 V295C182-H184 PolarHBondContact O-N 2.86Å; C182-H184 PolarHBondContact SG-N 3.47Å; H184-V207 HydrophobicContact CB-CG1 4.31Å; H184-C211 HydrophobicContact CB-CB 3.97Å; H184-L214 PolarHBondContact CE1-O 2.99Å; H184-L214 PolarHBondContact ND1-O 3.03Å; H184-L214 WeakPolarHBondContact NE2-CB 3.27Å; H184-V295 VanDerWaalsContact O-CG2 3.25Å; H184-V295 WeakPolarHBondContact O-CG2 3.47Å
185C84.3Confident68.1Low31 Ų3148.1 Ų48.121%0.20924%0.237CC..THydrogen-bonded Turntrans-93.2-5.3-174.166.90000114.1C182 E187 H208C182-C185 VanDerWaalsContact SG-SG 3.64Å; C185-E187 HydrophobicContact CB-CG 4.42Å; C185-E187 PolarHBondContact O-N 3.47Å; C185-E187 VanDerWaalsContact O-N 3.08Å; C185-H208 PolarHBondContact SG-CE1 2.87Å; C185-H208 PolarHBondContact SG-ND1 2.89Å
186K83.3Confident68.1Low84 Ų8446.4 Ų46.437%0.36523%0.23SC..  trans61.98.2-176.6-51.2-52.6-169.8-165.10115.3F181 C182 F183 D255F181-K186 VanDerWaalsContact CD1-O 3.29Å; F181-K186 WeakPolarHBondContact CD1-O 3.12Å; C182-K186 WeakPolarHBondContact O-CA 3.2Å; C182-K186 PolarHBondContact O-N 3.34Å; F183-K186 WeakPolarHBondContact O-CE 3.49Å; F183-K186 PolarHBondContact O-NZ 3.13Å; K186-D255 PolarHBondContact NZ-O 3.21Å; K186-D255 IonicContact NZ-OD1 2.71Å
187E78.6Confident68.5Low121 Ų12145.9 Ų45.957%0.56523%0.228SC*.PPolyproline II helixtrans-87.9156.6174.5-59.2-58.6147.800111.5C182 C185 H208C182-E187 WeakPolarHBondContact CB-O 3.11Å; C182-E187 PolarHBondContact N-O 2.94Å; C185-E187 HydrophobicContact CB-CG 4.42Å; C185-E187 PolarHBondContact O-N 3.47Å; C185-E187 VanDerWaalsContact O-N 3.08Å; E187-H208 PolarHBondContact O-CE1 3.49Å
188F75.8Confident70Confident61 Ų6141.5 Ų41.527%0.26821%0.211SC..EExtended strand (participates in β ladder)trans-62.7139.9179.9-165.6-113.9000112.7P179 T180 F181 W190 H208P179-F188 VanDerWaalsContact C-CE2 3.43Å; P179-F188 HydrophobicContact CB-CE2 3.34Å; P179-F188 HydrophobicContact CB-CZ 3.55Å; P179-F188 HydrophobicContact CG-CE2 4.5Å; P179-F188 HydrophobicContact CG-CZ 4.29Å; T180-F188 VanDerWaalsContact N-CE2 3.29Å; F181-F188 HydrophobicContact CD1-CB 4.16Å; F181-F188 HydrophobicContact CD1-CD2 4.28Å; F181-F188 HydrophobicContact CD2-CD2 4.13Å; F181-F188 HydrophobicContact CE1-CB 3.88Å; F181-F188 AromaticContact CE1-CD2 3.96Å; F181-F188 HydrophobicContact CE1-CD2 3.96Å; F181-F188 HydrophobicContact CE1-CG 4.43Å; F181-F188 AromaticContact CE2-CD2 3.77Å; F181-F188 HydrophobicContact CE2-CD2 3.77Å; F181-F188 HydrophobicContact CE2-CE2 4.24Å; F181-F188 HydrophobicContact CG-CD2 4.38Å; F181-F188 HydrophobicContact CZ-CB 4.39Å; F181-F188 AromaticContact CZ-CD2 3.69Å; F181-F188 HydrophobicContact CZ-CD2 3.69Å; F181-F188 HydrophobicContact CZ-CE2 4.46Å; F181-F188 HydrophobicContact CZ-CG 4.49Å; F188-W190 HydrophobicContact CD1-CB 4.03Å; F188-W190 HydrophobicContact CD1-CG 4.48Å; F188-W190 HydrophobicContact CE1-CB 4.24Å; F188-W190 HydrophobicContact CE1-CG 4.38Å; F188-H208 PolarHBondContact O-CE1 2.69Å; F188-H208 PolarHBondContact O-NE2 3.33Å
189I71Confident71.5Confident2 Ų240.4 Ų40.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-99118.6174.6-54.5172.9000108L176 T180 C182 Q196 V206L176-I189 HydrophobicContact CD1-CB 3.88Å; L176-I189 HydrophobicContact CD1-CD1 3.92Å; L176-I189 HydrophobicContact CD1-CG2 3.55Å; T180-I189 HydrophobicContact CG2-CD1 4.35Å; T180-I189 WeakPolarHBondContact O-CB 3.36Å; T180-I189 PolarHBondContact O-N 3.07Å; C182-I189 HydrophobicContact CB-CD1 4.07Å; C182-I189 HydrophobicContact CB-CG1 3.87Å; I189-Q196 HydrophobicContact CG2-CB 4.32Å; I189-Q196 WeakPolarHBondContact CG2-O 3.37Å; I189-V206 HydrophobicContact CD1-CB 4.3Å; I189-V206 HydrophobicContact CD1-CG1 3.4Å
190W52.3Low72.6Confident27 Ų2737.5 Ų37.510%0.10219%0.187CC..  trans-122.8164.7-174.3-16618.9000112.1F188 F360 I384 D388 D390F188-W190 HydrophobicContact CD1-CB 4.03Å; F188-W190 HydrophobicContact CD1-CG 4.48Å; F188-W190 HydrophobicContact CE1-CB 4.24Å; F188-W190 HydrophobicContact CE1-CG 4.38Å; W190-F360 HydrophobicContact CE3-CD1 4.41Å; W190-F360 AromaticContact CH2-CD1 3.33Å; W190-F360 HydrophobicContact CH2-CD1 3.33Å; W190-F360 AromaticContact CH2-CD2 3.89Å; W190-F360 HydrophobicContact CH2-CD2 3.89Å; W190-F360 AromaticContact CH2-CE1 2.78Å; W190-F360 HydrophobicContact CH2-CE1 2.78Å; W190-F360 AromaticContact CH2-CE2 3.29Å; W190-F360 HydrophobicContact CH2-CE2 3.29Å; W190-F360 AromaticContact CH2-CG 3.91Å; W190-F360 HydrophobicContact CH2-CG 3.91Å; W190-F360 AromaticContact CH2-CZ 2.74Å; W190-F360 HydrophobicContact CH2-CZ 2.74Å; W190-F360 HydrophobicContact CZ2-CD1 4.38Å; W190-F360 HydrophobicContact CZ2-CD2 4.23Å; W190-F360 AromaticContact CZ2-CE1 3.69Å; W190-F360 HydrophobicContact CZ2-CE1 3.69Å; W190-F360 AromaticContact CZ2-CE2 3.36Å; W190-F360 HydrophobicContact CZ2-CE2 3.36Å; W190-F360 AromaticContact CZ2-CZ 3.1Å; W190-F360 HydrophobicContact CZ2-CZ 3.1Å; W190-F360 AromaticContact CZ3-CD1 3.23Å; W190-F360 HydrophobicContact CZ3-CD1 3.23Å; W190-F360 AromaticContact CZ3-CD2 4Å; W190-F360 HydrophobicContact CZ3-CD2 4Å; W190-F360 AromaticContact CZ3-CE1 3.26Å; W190-F360 HydrophobicContact CZ3-CE1 3.26Å; W190-F360 AromaticContact CZ3-CE2 3.88Å; W190-F360 HydrophobicContact CZ3-CE2 3.88Å; W190-F360 AromaticContact CZ3-CG 3.71Å; W190-F360 HydrophobicContact CZ3-CG 3.71Å; W190-F360 AromaticContact CZ3-CZ 3.58Å; W190-F360 HydrophobicContact CZ3-CZ 3.58Å; W190-I384 HydrophobicContact CZ3-CG2 4.35Å; W190-D388 HydrophobicContact CD2-CB 4.27Å; W190-D388 HydrophobicContact CE3-CB 3.85Å; W190-D388 HydrophobicContact CH2-CB 3.92Å; W190-D388 HydrophobicContact CZ3-CB 3.62Å; W190-D388 WeakPolarHBondContact CZ3-OD2 2.91Å; W190-D390 HydrophobicContact CH2-CB 3.6Å; W190-D390 WeakPolarHBondContact CH2-OD2 3.46Å; W190-D390 HydrophobicContact CZ2-CB 4.12Å; W190-D390 WeakPolarHBondContact CZ2-OD2 3.41Å
191G49.2Very low73.1Confident7 Ų737.7 Ų37.77%0.07219%0.188CC..  trans150.883.3174.300000113.6F193 Q196G191-F193 PolarHBondContact O-N 3.26Å; G191-Q196 VanDerWaalsContact C-NE2 3.3Å; G191-Q196 WeakPolarHBondContact O-CG 3.5Å; G191-Q196 PolarHBondContact O-NE2 3.22Å
192V44.7Very low73.3Confident26 Ų2635 Ų3516%0.15818%0.176CC..SBendtrans-59.3-14.6178.4-172.20000112.3M494 T507 C509V192-M494 HydrophobicContact CG2-CE 4.4Å; V192-T507 HydrophobicContact CG1-CG2 3.95Å; V192-C509 HydrophobicContact CG1-CB 4.08Å
193F37.1Very low73.3Confident128 Ų12835 Ų3556%0.56118%0.176SC*.SBendtrans-120.8114.7175.9-63.3-82000113.6G191 T507G191-F193 PolarHBondContact O-N 3.26Å; F193-T507 HydrophobicContact CE1-CG2 3.77Å; F193-T507 HydrophobicContact CE2-CG2 4.49Å; F193-T507 HydrophobicContact CZ-CG2 3.64Å
194G49.5Very low73.2Confident50 Ų5034.8 Ų34.852%0.51518%0.176SC..SBendtrans77.1171.5173.700000114.4Q196G194-Q196 WeakPolarHBondContact O-CG 3.37Å; G194-Q196 PolarHBondContact O-N 3.13Å
195K48.9Very low73.3Confident89 Ų8934.3 Ų34.339%0.38717%0.174SC..  trans-53113.5-171.3-53.6179.5177.6-167.30111R160 S173 K209R160-K195 PolarHBondContact O-NZ 3.39Å; S173-K195 VanDerWaalsContact CB-CD 3.42Å; S173-K195 WeakPolarHBondContact O-CD 3.39Å; S173-K195 WeakPolarHBondContact OG-CB 3.47Å; S173-K195 WeakPolarHBondContact OG-CD 3.28Å; K195-K209 WeakPolarHBondContact O-CE 3.23Å; K195-K209 PolarHBondContact O-NZ 3.37Å
196Q68.1Low73.7Confident32 Ų3232.9 Ų32.915%0.1516%0.164CC..  trans-81.1-37.3-165.1-68176.2-5.500114.3T174 L176 I189 G191 G194T174-Q196 PolarHBondContact O-N 3.29Å; L176-Q196 HydrophobicContact CD1-CB 4.37Å; L176-Q196 PolarHBondContact O-OE1 3.4Å; L176-Q196 VanDerWaalsContact O-OE1 3.08Å; I189-Q196 HydrophobicContact CG2-CB 4.32Å; I189-Q196 WeakPolarHBondContact CG2-O 3.37Å; G191-Q196 VanDerWaalsContact C-NE2 3.3Å; G191-Q196 WeakPolarHBondContact O-CG 3.5Å; G191-Q196 PolarHBondContact O-NE2 3.22Å; G194-Q196 WeakPolarHBondContact O-CG 3.37Å; G194-Q196 PolarHBondContact O-N 3.13Å
197G78.4Confident74.1Confident0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-141.3175.1-174.800000112.3T174T174-G197 PolarHBondContact N-O 2.87Å; T174-G197 PolarHBondContact O-N 2.8Å
198Y88.9Confident74.4Confident28 Ų2823.6 Ų23.611%0.1112%0.122CC..EExtended strand (participates in β ladder)trans-104.6124.8171.2-81.46.6000108.8H164 F171 M172 V206 V207 K209 H212H164-Y198 HydrophobicContact CB-CE2 4.29Å; H164-Y198 AromaticContact CD2-CE2 3.76Å; H164-Y198 AromaticContact CD2-CZ 3.84Å; H164-Y198 AromaticContact CE1-CE2 3.99Å; H164-Y198 PolarHBondContact CE1-OH 3.18Å; H164-Y198 AromaticContact CG-CE2 3.74Å; H164-Y198 AromaticContact ND1-CE2 3.87Å; H164-Y198 AromaticContact NE2-CE2 3.96Å; H164-Y198 AromaticContact NE2-CZ 3.7Å; H164-Y198 PolarHBondContact NE2-OH 2.97Å; F171-Y198 HydrophobicContact CB-CD2 4.07Å; F171-Y198 HydrophobicContact CB-CG 4.29Å; M172-Y198 WeakPolarHBondContact O-CA 3.36Å; Y198-V206 WeakPolarHBondContact O-CA 2.97Å; Y198-V207 PolarHBondContact N-O 3.31Å; Y198-V207 PolarHBondContact O-N 2.64Å; Y198-K209 HydrophobicContact CD1-CG 3.83Å; Y198-K209 HydrophobicContact CE1-CB 4.35Å; Y198-K209 HydrophobicContact CE1-CD 4.17Å; Y198-K209 HydrophobicContact CE1-CG 3.66Å; Y198-K209 HydrophobicContact CG-CG 4.48Å; Y198-H212 HydrophobicContact CD2-CB 3.65Å; Y198-H212 AromaticContact CD2-CD2 3.9Å; Y198-H212 AromaticContact CD2-CG 3.44Å; Y198-H212 VanDerWaalsContact CD2-CG 3.44Å; Y198-H212 AromaticContact CD2-ND1 3.56Å; Y198-H212 HydrophobicContact CE2-CB 4.41Å; Y198-H212 AromaticContact CE2-CD2 3.91Å; Y198-H212 AromaticContact CE2-CE1 3.5Å; Y198-H212 VanDerWaalsContact CE2-CE1 3.5Å; Y198-H212 WeakPolarHBondContact CE2-CE1 3.44Å; Y198-H212 AromaticContact CE2-CG 3.72Å; Y198-H212 AromaticContact CE2-ND1 3.46Å; Y198-H212 WeakPolarHBondContact CE2-ND1 3.41Å; Y198-H212 AromaticContact CE2-NE2 3.78Å
199Q90Very high74.8Confident18 Ų1825.4 Ų25.48%0.08413%0.13CC..EExtended strand (participates in β ladder)trans-114.8127.9176-175.3164.927.600110F22 M172 T174 Q201 T204 C205 V206F22-Q199 HydrophobicContact CD2-CG 4.2Å; F22-Q199 HydrophobicContact CE2-CG 4.01Å; F22-Q199 VanDerWaalsContact CE2-OE1 3.22Å; M172-Q199 PolarHBondContact N-O 3.27Å; M172-Q199 PolarHBondContact O-N 3.46Å; T174-Q199 HydrophobicContact CG2-CB 4.49Å; Q199-Q201 PolarHBondContact O-N 3.46Å; Q199-Q201 PolarHBondContact O-NE2 3.28Å; Q199-T204 PolarHBondContact NE2-O 2.88Å; Q199-C205 WeakPolarHBondContact CA-O 3.2Å; Q199-V206 HydrophobicContact CB-CG2 4.19Å; Q199-V206 HydrophobicContact CG-CG2 3.8Å
200C91.8Very high75.3Confident0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-67.1117174.3-178.50000109.2H169 K170 F171 V202 T204 C205H169-C200 HydrophobicContact CB-CB 4.37Å; K170-C200 WeakPolarHBondContact O-CA 3.47Å; F171-C200 HydrophobicContact CD1-CB 3.98Å; F171-C200 HydrophobicContact CE1-CB 3.79Å; F171-C200 HydrophobicContact CZ-CB 4.48Å; C200-V202 PolarHBondContact O-N 2.87Å; C200-V202 PolarHBondContact SG-N 2.78Å; C200-T204 VanDerWaalsContact O-CA 3.26Å; C200-T204 WeakPolarHBondContact O-CA 3.23Å; C200-T204 PolarHBondContact O-N 2.77Å; C200-C205 HydrophobicContact CB-CB 4.15Å; C200-C205 WeakPolarHBondContact CB-O 3.19Å; C200-C205 PolarHBondContact N-O 2.93Å
201Q89.6Confident76.9Confident7 Ų730.6 Ų30.63%0.03315%0.15CC..THydrogen-bonded Turntrans-72.9-4.9179.5-58-62.2-67.400113.2T20 F22 F93 K170 M172 Q199T20-Q201 WeakPolarHBondContact CB-O 3.5Å; T20-Q201 PolarHBondContact OG1-O 3.33Å; T20-Q201 VanDerWaalsContact OG1-O 3.1Å; F22-Q201 WeakPolarHBondContact CB-O 3.42Å; F93-Q201 HydrophobicContact CB-CB 3.75Å; F93-Q201 HydrophobicContact CB-CG 3.91Å; F93-Q201 HydrophobicContact CD1-CB 3.66Å; F93-Q201 HydrophobicContact CG-CB 3.96Å; F93-Q201 HydrophobicContact CG-CG 4.41Å; K170-Q201 PolarHBondContact O-N 3.28Å; M172-Q201 HydrophobicContact CB-CG 3.82Å; M172-Q201 HydrophobicContact CG-CG 3.71Å; M172-Q201 HydrophobicContact SD-CG 3.56Å; M172-Q201 VanDerWaalsContact SD-CG 3.56Å; Q199-Q201 PolarHBondContact O-N 3.46Å; Q199-Q201 PolarHBondContact O-NE2 3.28Å
202V88.4Confident78.7Confident3 Ų330.9 Ų30.92%0.01815%0.149CC..THydrogen-bonded Turntrans-99.3-51.5178.8-173.40000111.1T21 F93 P122 K170 C200 R221 M222T21-V202 PolarHBondContact OG1-O 3.27Å; F93-V202 HydrophobicContact CE1-CG2 4.15Å; P122-V202 HydrophobicContact CB-CG1 4.07Å; P122-V202 HydrophobicContact CG-CG1 4.13Å; K170-V202 HydrophobicContact CB-CG2 4.01Å; K170-V202 HydrophobicContact CG-CG2 3.66Å; C200-V202 PolarHBondContact O-N 2.87Å; C200-V202 PolarHBondContact SG-N 2.78Å; V202-R221 HydrophobicContact CG1-CB 3.64Å; V202-M222 HydrophobicContact CG1-SD 4.32Å; V202-M222 HydrophobicContact CG2-SD 4.34Å
203C87.8Confident80.7Confident0 Ų034.6 Ų34.60%017%0.165CC..THydrogen-bonded Turntrans-112.50.3-173730000114.9H169 C205 R221 H256 N285H169-C203 VanDerWaalsContact CE1-SG 3.54Å; H169-C203 PolarHBondContact ND1-SG 3.43Å; C203-C205 PolarHBondContact O-N 3.32Å; C203-C205 WeakPolarHBondContact SG-CB 3.36Å; C203-R221 HydrophobicContact CB-CG 4.22Å; C203-H256 PolarHBondContact O-NE2 3.37Å; C203-N285 HydrophobicContact CB-CB 4.18Å; C203-N285 WeakPolarHBondContact O-CB 3.44Å; C203-N285 PolarHBondContact O-ND2 2.88Å
204T90.1Very high83Confident7 Ų731.7 Ų31.74%0.04316%0.155CC..  trans68.73.2-17878.50000117F22 R25 Q199 C200 V206F22-T204 HydrophobicContact CB-CG2 4.05Å; F22-T204 HydrophobicContact CD2-CG2 4.17Å; R25-T204 HydrophobicContact CB-CG2 4.38Å; Q199-T204 PolarHBondContact NE2-O 2.88Å; C200-T204 VanDerWaalsContact O-CA 3.26Å; C200-T204 WeakPolarHBondContact O-CA 3.23Å; C200-T204 PolarHBondContact O-N 2.77Å; T204-V206 WeakPolarHBondContact O-CG2 3.44Å; T204-V206 PolarHBondContact O-N 2.83Å
205C92.2Very high84.8Confident0 Ų029.3 Ų29.30%013%0.131CC..  trans-55129172.4170.90000110.6F183 Q199 C200 C203 H256F183-C205 WeakPolarHBondContact CB-SG 3.38Å; F183-C205 WeakPolarHBondContact CD1-SG 3.4Å; F183-C205 WeakPolarHBondContact CG-SG 3.22Å; Q199-C205 WeakPolarHBondContact CA-O 3.2Å; C200-C205 HydrophobicContact CB-CB 4.15Å; C200-C205 WeakPolarHBondContact CB-O 3.19Å; C200-C205 PolarHBondContact N-O 2.93Å; C203-C205 PolarHBondContact O-N 3.32Å; C203-C205 WeakPolarHBondContact SG-CB 3.36Å; C205-H256 WeakPolarHBondContact CA-O 3.2Å
206V91.7Very high86.5Confident1 Ų126.5 Ų26.51%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-112.1136.4179.5-169.20000109.8L176 T180 F183 I189 Y198 Q199 T204 H256 C257L176-V206 HydrophobicContact CD1-CG1 3.73Å; L176-V206 HydrophobicContact CD2-CG1 3.75Å; L176-V206 HydrophobicContact CD2-CG2 4.35Å; L176-V206 HydrophobicContact CG-CG1 4.4Å; T180-V206 HydrophobicContact CG2-CB 4Å; T180-V206 HydrophobicContact CG2-CG1 3.85Å; T180-V206 HydrophobicContact CG2-CG2 4.17Å; F183-V206 VanDerWaalsContact CB-O 3.23Å; F183-V206 WeakPolarHBondContact CB-O 3.44Å; F183-V206 PolarHBondContact N-O 3.28Å; I189-V206 HydrophobicContact CD1-CB 4.3Å; I189-V206 HydrophobicContact CD1-CG1 3.4Å; Y198-V206 WeakPolarHBondContact O-CA 2.97Å; Q199-V206 HydrophobicContact CB-CG2 4.19Å; Q199-V206 HydrophobicContact CG-CG2 3.8Å; T204-V206 WeakPolarHBondContact O-CG2 3.44Å; T204-V206 PolarHBondContact O-N 2.83Å; V206-H256 PolarHBondContact N-O 3.17Å; V206-C257 WeakPolarHBondContact CG2-O 3.33Å
207V91.4Very high87.3Confident0 Ų025.7 Ų25.70%012%0.118CC..EExtended strand (participates in β ladder)trans-139.9158177.8-67.60000110.7F171 F183 H184 Y198 C211 H212 V215F171-V207 HydrophobicContact CD1-CG2 3.87Å; F171-V207 HydrophobicContact CE1-CG1 4.43Å; F171-V207 HydrophobicContact CE1-CG2 3.5Å; F171-V207 HydrophobicContact CZ-CG1 4.45Å; F171-V207 HydrophobicContact CZ-CG2 3.87Å; F183-V207 HydrophobicContact CB-CG1 3.96Å; F183-V207 HydrophobicContact CD1-CG1 4.41Å; H184-V207 HydrophobicContact CB-CG1 4.31Å; Y198-V207 PolarHBondContact N-O 3.31Å; Y198-V207 PolarHBondContact O-N 2.64Å; V207-C211 HydrophobicContact CB-CB 4.17Å; V207-H212 HydrophobicContact CG2-CB 3.72Å; V207-V215 HydrophobicContact CG1-CG2 3.82Å
208H85.1Confident87.6Confident10 Ų1030.3 Ų30.35%0.04615%0.146CC..EExtended strand (participates in β ladder)trans-59.1154165.8-61.1103.1000110.8C182 C185 E187 F188 R210 C211 H212C182-H208 WeakPolarHBondContact CB-CE1 3.21Å; C182-H208 WeakPolarHBondContact CB-ND1 3.26Å; C182-H208 PolarHBondContact SG-N 3.09Å; C182-H208 VanDerWaalsContact SG-N 3.41Å; C182-H208 PolarHBondContact SG-ND1 2.82Å; C185-H208 PolarHBondContact SG-CE1 2.87Å; C185-H208 PolarHBondContact SG-ND1 2.89Å; E187-H208 PolarHBondContact O-CE1 3.49Å; F188-H208 PolarHBondContact O-CE1 2.69Å; F188-H208 PolarHBondContact O-NE2 3.33Å; H208-R210 HydrophobicContact CB-CG 3.8Å; H208-R210 PolarHBondContact O-N 2.65Å; H208-R210 VanDerWaalsContact O-N 3.16Å; H208-C211 HydrophobicContact CB-CB 4.08Å; H208-C211 PolarHBondContact O-N 3.02Å; H208-H212 PolarHBondContact O-N 3.12Å
209K84.5Confident87.6Confident98 Ų9829 Ų2943%0.42614%0.141SC..THydrogen-bonded Turntrans-54.7-32.1169.8-63.9-175.3-176.8155.10112.7K195 Y198 H212K195-K209 WeakPolarHBondContact O-CE 3.23Å; K195-K209 PolarHBondContact O-NZ 3.37Å; Y198-K209 HydrophobicContact CD1-CG 3.83Å; Y198-K209 HydrophobicContact CE1-CB 4.35Å; Y198-K209 HydrophobicContact CE1-CD 4.17Å; Y198-K209 HydrophobicContact CE1-CG 3.66Å; Y198-K209 HydrophobicContact CG-CG 4.48Å; K209-H212 PolarHBondContact O-CE1 3.4Å; K209-H212 VanDerWaalsContact O-CE1 3.25Å; K209-H212 PolarHBondContact O-ND1 3.48Å
210R81.8Confident87.4Confident133 Ų13330.5 Ų30.550%0.50215%0.152SC..THydrogen-bonded Turntrans-76.5-28.4174.764.3179.2175.6-166.1-9.8113.7H208 Q387H208-R210 HydrophobicContact CB-CG 3.8Å; H208-R210 PolarHBondContact O-N 2.65Å; H208-R210 VanDerWaalsContact O-N 3.16Å; R210-Q387 VanDerWaalsContact CZ-NE2 3.34Å; R210-Q387 VanDerWaalsContact CZ-OE1 3.24Å; R210-Q387 VanDerWaalsContact NH1-CD 3.27Å
211C85.3Confident87Confident5 Ų535.7 Ų35.73%0.03417%0.172CC..THydrogen-bonded Turntrans-88-15.7-171.8-66.10000113.7H184 V207 H208 Q213 L214H184-C211 HydrophobicContact CB-CB 3.97Å; V207-C211 HydrophobicContact CB-CB 4.17Å; H208-C211 HydrophobicContact CB-CB 4.08Å; H208-C211 PolarHBondContact O-N 3.02Å; C211-Q213 VanDerWaalsContact C-N 3.26Å; C211-Q213 PolarHBondContact O-N 2.82Å; C211-L214 WeakPolarHBondContact O-CA 3.43Å; C211-L214 WeakPolarHBondContact O-CB 3.19Å; C211-L214 PolarHBondContact O-N 3.26Å
212H88Confident86.6Confident13 Ų1336.6 Ų36.66%0.0618%0.176CC..G310 helixtrans-58.9-35.2-174.977.4-78.2000114H164 V166 F171 Y198 V207 H208 K209 L214H164-H212 AromaticContact ND1-NE2 3.46Å; H164-H212 PolarHBondContact ND1-NE2 2.74Å; V166-H212 WeakPolarHBondContact CG1-O 3.48Å; F171-H212 HydrophobicContact CD2-CB 3.92Å; F171-H212 HydrophobicContact CE2-CB 4.2Å; F171-H212 HydrophobicContact CG-CB 4.22Å; Y198-H212 HydrophobicContact CD2-CB 3.65Å; Y198-H212 AromaticContact CD2-CD2 3.9Å; Y198-H212 AromaticContact CD2-CG 3.44Å; Y198-H212 VanDerWaalsContact CD2-CG 3.44Å; Y198-H212 AromaticContact CD2-ND1 3.56Å; Y198-H212 HydrophobicContact CE2-CB 4.41Å; Y198-H212 AromaticContact CE2-CD2 3.91Å; Y198-H212 AromaticContact CE2-CE1 3.5Å; Y198-H212 VanDerWaalsContact CE2-CE1 3.5Å; Y198-H212 WeakPolarHBondContact CE2-CE1 3.44Å; Y198-H212 AromaticContact CE2-CG 3.72Å; Y198-H212 AromaticContact CE2-ND1 3.46Å; Y198-H212 WeakPolarHBondContact CE2-ND1 3.41Å; Y198-H212 AromaticContact CE2-NE2 3.78Å; V207-H212 HydrophobicContact CG2-CB 3.72Å; H208-H212 PolarHBondContact O-N 3.12Å; K209-H212 PolarHBondContact O-CE1 3.4Å; K209-H212 VanDerWaalsContact O-CE1 3.25Å; K209-H212 PolarHBondContact O-ND1 3.48Å; H212-L214 PolarHBondContact O-N 3.45Å
213Q85.9Confident85.6Confident105 Ų10543.1 Ų43.149%0.49120%0.204SC..G310 helixtrans-79-5.8177-60.6-176.1-8.600113.4C211 A308C211-Q213 VanDerWaalsContact C-N 3.26Å; C211-Q213 PolarHBondContact O-N 2.82Å; Q213-A308 WeakPolarHBondContact O-CB 3.47Å
214L86.1Confident84.1Confident66 Ų6652.8 Ų52.835%0.34625%0.246SC..G310 helixtrans-100.1-0.4178.3-53.5176.6000111.7H184 C211 H212 V216 A298H184-L214 PolarHBondContact CE1-O 2.99Å; H184-L214 PolarHBondContact ND1-O 3.03Å; H184-L214 WeakPolarHBondContact NE2-CB 3.27Å; C211-L214 WeakPolarHBondContact O-CA 3.43Å; C211-L214 WeakPolarHBondContact O-CB 3.19Å; C211-L214 PolarHBondContact O-N 3.26Å; H212-L214 PolarHBondContact O-N 3.45Å; L214-V216 PolarHBondContact O-N 3.45Å; L214-A298 HydrophobicContact CB-CB 4.34Å
215V86.8Confident82.1Confident1 Ų154.9 Ų54.91%0.00626%0.261CS..  trans-75.295178.7-1790000109.9N167 F171 F183 V207 T217 A308N167-V215 PolarHBondContact ND2-O 2.82Å; F171-V215 HydrophobicContact CE2-CG2 4.29Å; F171-V215 HydrophobicContact CZ-CG2 4.04Å; F183-V215 HydrophobicContact CE1-CG1 4.27Å; V207-V215 HydrophobicContact CG1-CG2 3.82Å; V215-T217 VanDerWaalsContact C-N 3.34Å; V215-A308 WeakPolarHBondContact O-CB 3.24Å
216V84.3Confident79.8Confident30 Ų3061.6 Ų61.618%0.18230%0.302CS..  trans-75.4-19.8-178.6-63.90000113.9N167 L214 L297 A298 L301 A308N167-V216 PolarHBondContact ND2-O 2.73Å; L214-V216 PolarHBondContact O-N 3.45Å; V216-L297 HydrophobicContact CG2-CD2 3.94Å; V216-L297 HydrophobicContact CG2-CG 4.32Å; V216-A298 HydrophobicContact CG1-CB 3.96Å; V216-L301 HydrophobicContact CB-CD1 4.35Å; V216-L301 HydrophobicContact CG1-CD1 3.68Å; V216-A308 HydrophobicContact CG1-CB 4.37Å
217T85.3Confident77.4Confident14 Ų1471.1 Ų71.19%0.08634%0.344CS..SBendtrans-77.9139.7-179.551.90000111.7H169 V215 A287 N289H169-T217 PolarHBondContact CD2-O 3.32Å; H169-T217 PolarHBondContact NE2-O 3.09Å; V215-T217 VanDerWaalsContact C-N 3.34Å; T217-A287 HydrophobicContact CG2-CB 4.01Å; T217-N289 HydrophobicContact CG2-CB 4.47Å; T217-N289 VanDerWaalsContact CG2-ND2 3.27Å; T217-N289 WeakPolarHBondContact CG2-ND2 3.45Å
218V85.8Confident75.1Confident97 Ų9778.3 Ų78.359%0.58838%0.378SS*.PPolyproline II helixtrans-74.2138.2171.5-179.40000110.1N167 P220N167-V218 WeakPolarHBondContact O-CA 3.47Å; V218-P220 VanDerWaalsContact O-CD 3.28Å; V218-P220 WeakPolarHBondContact O-CD 3.39Å
219C88.1Confident72.7Confident2 Ų286.5 Ų86.51%0.01441%0.413CS..PPolyproline II helixtrans-60.1118.8177.6-174.20000110.8N167 H169 R221 M222N167-C219 PolarHBondContact O-N 3.08Å; H169-C219 HydrophobicContact CB-CB 4.47Å; H169-C219 WeakPolarHBondContact NE2-CA 3.4Å; H169-C219 PolarHBondContact NE2-N 3.32Å; C219-R221 PolarHBondContact O-N 3.28Å; C219-M222 HydrophobicContact CB-CB 4.43Å; C219-M222 HydrophobicContact CB-CG 3.59Å; C219-M222 PolarHBondContact O-N 2.94Å; C219-M222 VanDerWaalsContact O-N 3.15Å
220P85.9Confident70.4Confident49 Ų4989.6 Ų89.632%0.31843%0.434SS..THydrogen-bonded Turntrans-67.1-15.1-172.7-2638000114.9V218 N285 A287V218-P220 VanDerWaalsContact O-CD 3.28Å; V218-P220 WeakPolarHBondContact O-CD 3.39Å; P220-N285 WeakPolarHBondContact CG-O 3.26Å; P220-A287 HydrophobicContact CG-CB 3.99Å
221R84Confident68.2Low109 Ų10986.9 Ų86.941%0.41144%0.44SS..THydrogen-bonded Turntrans-97.24.6-178.1-66.5-61.7-169.9162.84.4113.1T21 V202 C203 C219 G284 N285T21-R221 HydrophobicContact CG2-CG 4.45Å; V202-R221 HydrophobicContact CG1-CB 3.64Å; C203-R221 HydrophobicContact CB-CG 4.22Å; C219-R221 PolarHBondContact O-N 3.28Å; R221-G284 PolarHBondContact NE-O 3.28Å; R221-G284 VanDerWaalsContact NE-O 3.15Å; R221-N285 VanDerWaalsContact CZ-OD1 3.3Å; R221-N285 PolarHBondContact NE-OD1 3.46Å; R221-N285 PolarHBondContact NH2-OD1 2.97Å
222M80.8Confident65.9Low25 Ų2593.4 Ų93.412%0.12348%0.48CS..SBendtrans-90.8139.4174.3-65.2-69-72.800110.4E121 P122 G168 V202 C219E121-M222 HydrophobicContact CB-CE 3.64Å; E121-M222 HydrophobicContact CB-SD 4.45Å; E121-M222 VanDerWaalsContact CD-CE 3.48Å; E121-M222 HydrophobicContact CG-CE 4.02Å; E121-M222 WeakPolarHBondContact OE2-CE 3.18Å; P122-M222 HydrophobicContact CB-SD 4.21Å; G168-M222 WeakPolarHBondContact O-CG 3.28Å; V202-M222 HydrophobicContact CG1-SD 4.32Å; V202-M222 HydrophobicContact CG2-SD 4.34Å; C219-M222 HydrophobicContact CB-CB 4.43Å; C219-M222 HydrophobicContact CB-CG 3.59Å; C219-M222 PolarHBondContact O-N 2.94Å; C219-M222 VanDerWaalsContact O-N 3.15Å
223K66.1Low63.6Low141 Ų141102.7 Ų102.761%0.61352%0.524SS*.PPolyproline II helixtrans-69.8133.1170.8-73.1178.4-178.9169.20109.1S225K223-S225 PolarHBondContact O-N 3.29Å
224K57.4Low61.8Low202 Ų202100.7 Ų100.788%0.87853%0.531SS*.PPolyproline II helixtrans-66.5125.8169.3-70.1-175177.1-175.30108.4
225S48.1Very low60.1Low51 Ų51106.2 Ų106.236%0.35755%0.553SS.*PPolyproline II helixtrans-64.5138.1177.287.20000109.6K223 K227 E228K223-S225 PolarHBondContact O-N 3.29Å; S225-K227 PolarHBondContact O-N 3.42Å; S225-E228 WeakPolarHBondContact OG-CB 3.46Å; S225-E228 WeakPolarHBondContact OG-CG 3.26Å; S225-E228 PolarHBondContact OG-N 3.16Å; S225-E228 PolarHBondContact OG-OE2 3.33Å
226T42.8Very low58.6Low141 Ų141111.4 Ų111.487%0.86559%0.589SS**THydrogen-bonded Turntrans-69.5-9.3176.8-5.70000112.6
227K42.5Very low57.7Low201 Ų201112.6 Ų112.687%0.87459%0.594SS**THydrogen-bonded Turntrans-97.7-13.6-175.4-71.6-174.7176.3179.80114.6S225 K229S225-K227 PolarHBondContact O-N 3.42Å; K227-K229 VanDerWaalsContact C-N 3.32Å; K227-K229 PolarHBondContact O-N 3.28Å
228E43.3Very low57.4Low152 Ų152117.7 Ų117.771%0.7162%0.621SS**THydrogen-bonded Turntrans-88.726.1-178.2-83.5177.7149.500114.7S225 D230S225-E228 WeakPolarHBondContact OG-CB 3.46Å; S225-E228 WeakPolarHBondContact OG-CG 3.26Å; S225-E228 PolarHBondContact OG-N 3.16Å; S225-E228 PolarHBondContact OG-OE2 3.33Å; E228-D230 VanDerWaalsContact C-N 3.31Å; E228-D230 PolarHBondContact O-N 3.41Å
229K33.4Very low57.4Low181 Ų181116.4 Ų116.479%0.78761%0.613SS**THydrogen-bonded Turntrans-76.4-12.4178.4-84.9-172.2175.3-178.80114.8K227K227-K229 VanDerWaalsContact C-N 3.32Å; K227-K229 PolarHBondContact O-N 3.28Å
230D36.2Very low57.3Low163 Ų163120.7 Ų120.787%0.87264%0.641SS**SBendtrans-140.617.4-169.3-80.1-50.6000118E228E228-D230 VanDerWaalsContact C-N 3.31Å; E228-D230 PolarHBondContact O-N 3.41Å
231A36.3Very low57.5Low77 Ų77119.9 Ų119.964%0.63663%0.633SS**SBendtrans-144.3121.7173.200000114.1
232T36.2Very low58Low142 Ų142121.2 Ų121.287%0.87164%0.642SS**  trans80.3109.6179.567.80000115.7G234T232-G234 PolarHBondContact O-N 3.24Å
233Q40.7Very low58.6Low207 Ų207121.9 Ų121.997%0.96764%0.644SS**  trans-62.389.3175.1-68174.7-14.100110.4
234G47.9Very low59.8Low63 Ų63116.9 Ų116.965%0.64963%0.627SS**  trans-80131.4166.800000110.8T232 S236T232-G234 PolarHBondContact O-N 3.24Å; G234-S236 VanDerWaalsContact C-N 3.35Å; G234-S236 PolarHBondContact O-N 2.82Å
235F51.3Low61.4Low182 Ų182111.2 Ų111.280%0.79861%0.609SS**  trans-68.586.3174.8-136.6-92.5000109.6I237F235-I237 HydrophobicContact CD1-CD1 4.47Å; F235-I237 HydrophobicContact CD1-CG1 4.16Å; F235-I237 PolarHBondContact O-N 3.09Å
236S53.9Low62.8Low111 Ų111112.4 Ų112.478%0.77661%0.609SS**  trans-85.999-17970.40000111G234G234-S236 VanDerWaalsContact C-N 3.35Å; G234-S236 PolarHBondContact O-N 2.82Å
237I66.6Low64.5Low55 Ų55108.4 Ų108.428%0.28258%0.584SS.*  trans-82.2120.6173.4-52.3174.1000108.5F235 V239 N289 V292 L297F235-I237 HydrophobicContact CD1-CD1 4.47Å; F235-I237 HydrophobicContact CD1-CG1 4.16Å; F235-I237 PolarHBondContact O-N 3.09Å; I237-V239 HydrophobicContact CG2-CG2 3.96Å; I237-N289 HydrophobicContact CG2-CB 4.4Å; I237-V292 HydrophobicContact CD1-CG1 3.97Å; I237-V292 HydrophobicContact CD1-CG2 3.8Å; I237-V292 HydrophobicContact CG2-CG2 3.9Å; I237-L297 HydrophobicContact CD1-CD2 3.84Å
238N77.6Confident66.1Low120 Ų12099.8 Ų99.864%0.64255%0.546SS*.  trans-128.372.1178.9-172.819.3000110.4P288N238-P288 CarbonylContact C-O 3.45Å; N238-P288 VanDerWaalsContact CA-O 3.27Å; N238-P288 WeakPolarHBondContact CA-O 3.38Å; N238-P288 WeakPolarHBondContact OD1-CB 3.49Å; N238-P288 VanDerWaalsContact OD1-CG 3.3Å; N238-P288 WeakPolarHBondContact OD1-CG 3.3Å
239V85.7Confident67.4Low70 Ų70102.8 Ų102.842%0.42456%0.557SS.*BIsolated β-bridgetrans-113.3105.2175.6-174.50000108.4I237 P288 N289 C290I237-V239 HydrophobicContact CG2-CG2 3.96Å; V239-P288 CarbonylContact C-O 3.42Å; V239-P288 PolarHBondContact N-O 2.71Å; V239-P288 CarbonylContact O-C 3.57Å; V239-P288 VanDerWaalsContact O-O 3.09Å; V239-N289 PolarHBondContact O-N 3.14Å; V239-C290 HydrophobicContact CG1-CB 4.19Å; V239-C290 VanDerWaalsContact O-CB 3.28Å; V239-C290 WeakPolarHBondContact O-CB 3.21Å; V239-C290 PolarHBondContact O-N 3.11Å
240P87.8Confident69.4Low93 Ų9397.2 Ų97.260%0.60454%0.541SS*.  trans-70.2146.7-174.127.8-34.4000112.6
241H89.8Confident71.3Confident32 Ų3294.5 Ų94.515%0.14853%0.532CS..  trans-74.9136.9175.3-71.9-101.2000112.1F243 C274 M276 A287 C290H241-F243 HydrophobicContact CB-CD2 3.58Å; H241-F243 HydrophobicContact CB-CE1 4.3Å; H241-F243 HydrophobicContact CB-CE2 3.24Å; H241-F243 HydrophobicContact CB-CG 4.26Å; H241-F243 HydrophobicContact CB-CZ 3.63Å; H241-F243 AromaticContact CG-CE2 3.76Å; H241-F243 AromaticContact CG-CZ 3.76Å; H241-F243 AromaticContact ND1-CZ 3.88Å; H241-F243 PolarHBondContact O-N 3.15Å; H241-C274 PolarHBondContact CE1-SG 2.92Å; H241-C274 PolarHBondContact ND1-SG 3.04Å; H241-M276 VanDerWaalsContact CE1-SD 3.59Å; H241-A287 PolarHBondContact CD2-O 3.17Å; H241-A287 PolarHBondContact NE2-O 3.1Å; H241-C290 HydrophobicContact CB-CB 4.39Å
242K92.8Very high73.3Confident137 Ų13791.9 Ų91.960%0.59651%0.508SS*.  trans-91.475.2171.8-167172.9-175.3173.80111.1C271 K272 I273K242-C271 PolarHBondContact N-SG 2.93Å; K242-K272 PolarHBondContact O-N 3.17Å; K242-I273 HydrophobicContact CB-CD1 3.88Å; K242-I273 HydrophobicContact CB-CG1 4.22Å
243F95.3Very high75.8Confident38 Ų3887.9 Ų87.917%0.16748%0.479CS..EExtended strand (participates in β ladder)trans-75.1139.2179.7-73.6-60.9000112.9H241 L269 H270 C271 M276 V278 K283 V286H241-F243 HydrophobicContact CB-CD2 3.58Å; H241-F243 HydrophobicContact CB-CE1 4.3Å; H241-F243 HydrophobicContact CB-CE2 3.24Å; H241-F243 HydrophobicContact CB-CG 4.26Å; H241-F243 HydrophobicContact CB-CZ 3.63Å; H241-F243 AromaticContact CG-CE2 3.76Å; H241-F243 AromaticContact CG-CZ 3.76Å; H241-F243 AromaticContact ND1-CZ 3.88Å; H241-F243 PolarHBondContact O-N 3.15Å; F243-L269 HydrophobicContact CB-CB 4.11Å; F243-L269 HydrophobicContact CB-CD1 4.35Å; F243-L269 HydrophobicContact CD1-CB 3.84Å; F243-L269 HydrophobicContact CG-CB 4.15Å; F243-L269 HydrophobicContact CG-CD1 4.49Å; F243-H270 WeakPolarHBondContact CA-O 3.42Å; F243-C271 HydrophobicContact CD1-CB 3.88Å; F243-C271 HydrophobicContact CE1-CB 3.71Å; F243-C271 HydrophobicContact CZ-CB 4.49Å; F243-M276 HydrophobicContact CZ-SD 4.29Å; F243-V278 HydrophobicContact CD1-CG2 4.1Å; F243-V278 HydrophobicContact CE1-CG1 4.42Å; F243-V278 HydrophobicContact CE1-CG2 3.54Å; F243-V278 HydrophobicContact CE2-CG2 4.28Å; F243-V278 HydrophobicContact CZ-CG1 4.31Å; F243-V278 HydrophobicContact CZ-CG2 3.65Å; F243-K283 HydrophobicContact CD2-CG 4.2Å; F243-V286 HydrophobicContact CE2-CG1 4.49Å; F243-V286 HydrophobicContact CZ-CG1 4.33Å
244S91.3Very high78.2Confident37 Ų3778 Ų7826%0.25943%0.433SS..EExtended strand (participates in β ladder)trans-134.6143.2166.651.80000110.1H246 H270 K272S244-H246 PolarHBondContact O-N 3.28Å; S244-H270 PolarHBondContact N-O 2.93Å; S244-H270 PolarHBondContact O-N 3.19Å; S244-K272 WeakPolarHBondContact OG-CE 3.35Å
245T89.7Confident80.3Confident82 Ų8277 Ų7750%0.50341%0.412SS..EExtended strand (participates in β ladder)trans-55.7134173.6-460000110.5R266 G268T245-R266 HydrophobicContact CG2-CB 3.6Å; T245-R266 HydrophobicContact CG2-CG 3.67Å; T245-G268 WeakPolarHBondContact CA-O 3.35Å
246H78.6Confident82.2Confident77 Ų7768.4 Ų68.436%0.35638%0.375SS..EExtended strand (participates in β ladder)trans-136.8143.7-173.2-172.4-100.1000111.2S244 Y248 R266 Q267 G268 H270S244-H246 PolarHBondContact O-N 3.28Å; H246-Y248 HydrophobicContact CB-CE2 3.98Å; H246-Y248 AromaticContact CE1-CD1 3.93Å; H246-Y248 AromaticContact ND1-CD1 3.42Å; H246-Y248 WeakPolarHBondContact ND1-CD1 3.36Å; H246-Y248 AromaticContact ND1-CD2 3.79Å; H246-Y248 AromaticContact ND1-CE1 3.33Å; H246-Y248 VanDerWaalsContact ND1-CE1 3.33Å; H246-Y248 WeakPolarHBondContact ND1-CE1 3.44Å; H246-Y248 AromaticContact ND1-CE2 3.73Å; H246-Y248 AromaticContact ND1-CG 3.66Å; H246-Y248 AromaticContact ND1-CZ 3.53Å; H246-R266 CarbonylContact O-C 3.59Å; H246-R266 VanDerWaalsContact O-CA 3.3Å; H246-R266 WeakPolarHBondContact O-CA 3.47Å; H246-Q267 PolarHBondContact O-N 2.96Å; H246-G268 PolarHBondContact N-O 3.45Å; H246-H270 HydrophobicContact CB-CB 3.61Å
247T76.8Confident83.9Confident57 Ų5763.3 Ų63.335%0.3534%0.339SS..  trans-101.1114.9171.3-61.10000108.9V265 R266T247-V265 HydrophobicContact CG2-CG1 4.45Å; T247-R266 PolarHBondContact OG1-N 2.87Å
248Y77Confident84.8Confident19 Ų1960.7 Ų60.78%0.07533%0.326CS..  trans-86.3138.7179.2-60.6-88.2000109.7H246 T252 L261 Q267 L269 N277H246-Y248 HydrophobicContact CB-CE2 3.98Å; H246-Y248 AromaticContact CE1-CD1 3.93Å; H246-Y248 AromaticContact ND1-CD1 3.42Å; H246-Y248 WeakPolarHBondContact ND1-CD1 3.36Å; H246-Y248 AromaticContact ND1-CD2 3.79Å; H246-Y248 AromaticContact ND1-CE1 3.33Å; H246-Y248 VanDerWaalsContact ND1-CE1 3.33Å; H246-Y248 WeakPolarHBondContact ND1-CE1 3.44Å; H246-Y248 AromaticContact ND1-CE2 3.73Å; H246-Y248 AromaticContact ND1-CG 3.66Å; H246-Y248 AromaticContact ND1-CZ 3.53Å; Y248-T252 HydrophobicContact CD1-CG2 3.71Å; Y248-T252 WeakPolarHBondContact CD1-OG1 3.44Å; Y248-T252 HydrophobicContact CE1-CG2 3.81Å; Y248-T252 HydrophobicContact CG-CG2 4.35Å; Y248-L261 HydrophobicContact CD2-CD1 4.06Å; Y248-L261 HydrophobicContact CE1-CD1 4.39Å; Y248-L261 HydrophobicContact CE2-CD1 3.6Å; Y248-Q267 HydrophobicContact CD2-CB 4.08Å; Y248-Q267 PolarHBondContact O-NE2 3.15Å; Y248-L269 PolarHBondContact OH-O 2.93Å; Y248-N277 HydrophobicContact CE1-CB 4.11Å; Y248-N277 WeakPolarHBondContact CE1-OD1 2.9Å; Y248-N277 WeakPolarHBondContact OH-CB 3.46Å; Y248-N277 PolarHBondContact OH-OD1 2.89Å
249K71.1Confident85.1Confident216 Ų21655.4 Ų55.494%0.93930%0.298SS*.SBendtrans-96.9-9.7-178.3-64.2-175.2179.6-178.30113.3
250S75.2Confident84.8Confident64 Ų6453.7 Ų53.745%0.44829%0.286SS..SBendtrans-134.8157.5177.654.50000109.7T252S250-T252 PolarHBondContact O-N 3.08Å; S250-T252 PolarHBondContact O-OG1 2.97Å
251P74.8Confident84.3Confident106 Ų10649.7 Ų49.769%0.68826%0.26SS*.  trans-52.3111.2174.6-26.435.5000110.5L260P251-L260 HydrophobicContact CB-CD1 3.85Å
252T80.1Confident83.1Confident21 Ų2153.3 Ų53.313%0.12927%0.272CS..  trans-119.1134.9-175.7-57.20000109.2Y248 S250 L260 L261 N277Y248-T252 HydrophobicContact CD1-CG2 3.71Å; Y248-T252 WeakPolarHBondContact CD1-OG1 3.44Å; Y248-T252 HydrophobicContact CE1-CG2 3.81Å; Y248-T252 HydrophobicContact CG-CG2 4.35Å; S250-T252 PolarHBondContact O-N 3.08Å; S250-T252 PolarHBondContact O-OG1 2.97Å; T252-L260 WeakPolarHBondContact O-CD1 3.37Å; T252-L261 HydrophobicContact CG2-CD1 3.91Å; T252-L261 WeakPolarHBondContact O-CB 3.4Å; T252-L261 VanDerWaalsContact O-CG 3.3Å; T252-L261 WeakPolarHBondContact O-CG 3.2Å; T252-L261 PolarHBondContact O-N 3.09Å; T252-N277 HydrophobicContact CG2-CB 3.97Å
253F87.7Confident81.4Confident58 Ų5849.1 Ų49.125%0.25427%0.268SS..BIsolated β-bridgetrans-96.5150-178.6-63.2-96.1000111.6P179 F181 D255 G258 L260P179-F253 HydrophobicContact CB-CE1 4.19Å; P179-F253 HydrophobicContact CB-CZ 4.5Å; P179-F253 WeakPolarHBondContact O-CE1 3.3Å; F181-F253 HydrophobicContact CD2-CB 3.8Å; F181-F253 AromaticContact CD2-CD1 3.69Å; F181-F253 HydrophobicContact CD2-CD1 3.69Å; F181-F253 AromaticContact CD2-CD2 3.88Å; F181-F253 HydrophobicContact CD2-CD2 3.88Å; F181-F253 HydrophobicContact CD2-CE1 4.23Å; F181-F253 HydrophobicContact CD2-CE2 4.41Å; F181-F253 AromaticContact CD2-CG 3.49Å; F181-F253 HydrophobicContact CD2-CG 3.49Å; F181-F253 VanDerWaalsContact CD2-CG 3.49Å; F181-F253 HydrophobicContact CE2-CB 4.3Å; F181-F253 AromaticContact CE2-CD1 3.79Å; F181-F253 HydrophobicContact CE2-CD1 3.79Å; F181-F253 AromaticContact CE2-CD2 3.46Å; F181-F253 HydrophobicContact CE2-CD2 3.46Å; F181-F253 VanDerWaalsContact CE2-CD2 3.46Å; F181-F253 AromaticContact CE2-CE1 3.92Å; F181-F253 HydrophobicContact CE2-CE1 3.92Å; F181-F253 AromaticContact CE2-CE2 3.62Å; F181-F253 HydrophobicContact CE2-CE2 3.62Å; F181-F253 AromaticContact CE2-CG 3.56Å; F181-F253 HydrophobicContact CE2-CG 3.56Å; F181-F253 AromaticContact CE2-CZ 3.84Å; F181-F253 HydrophobicContact CE2-CZ 3.84Å; F181-F253 HydrophobicContact CZ-CD2 4.37Å; F181-F253 HydrophobicContact CZ-CE2 4.41Å; F253-D255 PolarHBondContact O-N 2.86Å; F253-G258 WeakPolarHBondContact CD1-O 3.42Å; F253-L260 HydrophobicContact CD1-CB 4.07Å; F253-L260 HydrophobicContact CD1-CD1 4.08Å; F253-L260 HydrophobicContact CD2-CD1 4.2Å; F253-L260 HydrophobicContact CE1-CB 3.93Å; F253-L260 HydrophobicContact CE1-CD1 3.79Å; F253-L260 HydrophobicContact CE1-CG 4.45Å; F253-L260 HydrophobicContact CE2-CD1 3.91Å; F253-L260 HydrophobicContact CG-CD1 4.27Å; F253-L260 HydrophobicContact CZ-CD1 3.7Å
254C91.4Very high79.3Confident1 Ų154.8 Ų54.81%0.00730%0.299CS..  trans-72.5119.1173.6179.30000109.4H256 C257 G258 S259 L261 N277 H279C254-H256 PolarHBondContact O-N 2.73Å; C254-C257 VanDerWaalsContact SG-SG 3.63Å; C254-G258 WeakPolarHBondContact O-CA 3.32Å; C254-G258 PolarHBondContact O-N 2.66Å; C254-S259 VanDerWaalsContact CB-O 3.26Å; C254-S259 WeakPolarHBondContact CB-O 3.46Å; C254-S259 PolarHBondContact N-O 2.64Å; C254-L261 HydrophobicContact CB-CD2 3.89Å; C254-N277 CarbonylContact C-O 3.55Å; C254-N277 WeakPolarHBondContact CA-O 3.47Å; C254-H279 WeakPolarHBondContact CB-CE1 3.36Å; C254-H279 VanDerWaalsContact CB-ND1 3.31Å; C254-H279 WeakPolarHBondContact CB-ND1 3.5Å; C254-H279 PolarHBondContact SG-N 3.18Å; C254-H279 PolarHBondContact SG-ND1 3.31Å; C254-H279 VanDerWaalsContact SG-ND1 3.4Å
255D91.4Very high77.5Confident40 Ų4057.5 Ų57.521%0.21431%0.314CS..THydrogen-bonded Turntrans-63-9.5177.9-79.5-56.1000114.2F183 K186 F253 M276 N277F183-D255 VanDerWaalsContact CD2-O 3.27Å; F183-D255 WeakPolarHBondContact CD2-O 3.31Å; K186-D255 PolarHBondContact NZ-O 3.21Å; K186-D255 IonicContact NZ-OD1 2.71Å; F253-D255 PolarHBondContact O-N 2.86Å; D255-M276 HydrophobicContact CB-CE 3.54Å; D255-M276 HydrophobicContact CB-CG 3.48Å; D255-M276 VanDerWaalsContact CB-CG 3.48Å; D255-M276 HydrophobicContact CB-SD 4.38Å; D255-M276 VanDerWaalsContact OD2-CA 3.25Å; D255-M276 WeakPolarHBondContact OD2-CA 3.44Å; D255-M276 WeakPolarHBondContact OD2-CG 3.11Å; D255-N277 WeakPolarHBondContact CB-O 3.47Å; D255-N277 PolarHBondContact N-O 2.94Å; D255-N277 PolarHBondContact OD2-N 3.47Å
256H92.1Very high76.6Confident3 Ų362 Ų621%0.01432%0.321CS..THydrogen-bonded Turntrans-101.4-62.8-178.3179.477.5000113.3C203 C205 V206 C254 M276 V278 C282 N285 V286C203-H256 PolarHBondContact O-NE2 3.37Å; C205-H256 WeakPolarHBondContact CA-O 3.2Å; V206-H256 PolarHBondContact N-O 3.17Å; C254-H256 PolarHBondContact O-N 2.73Å; H256-M276 HydrophobicContact CB-CE 4.24Å; H256-V278 HydrophobicContact CB-CG1 4.18Å; H256-C282 HydrophobicContact CB-CB 4.44Å; H256-N285 PolarHBondContact CE1-O 3.12Å; H256-N285 WeakPolarHBondContact NE2-CB 3.1Å; H256-V286 HydrophobicContact CB-CG2 3.95Å
257C88.3Confident76.4Confident3 Ų359.4 Ų59.42%0.0231%0.309CS..THydrogen-bonded Turntrans-91.1-1.6179.670.10000113.2V206 C254 S259 H279V206-C257 WeakPolarHBondContact CG2-O 3.33Å; C254-C257 VanDerWaalsContact SG-SG 3.63Å; C257-S259 PolarHBondContact O-N 3.41Å; C257-H279 VanDerWaalsContact SG-CE1 3.51Å; C257-H279 PolarHBondContact SG-ND1 3.15Å
258G85.9Confident76.9Confident0 Ų056.7 Ų56.70%029%0.293CS..  trans74.9-16.6177.400000115.3T180 F181 F253 C254T180-G258 WeakPolarHBondContact CA-O 3.46Å; F181-G258 PolarHBondContact N-O 3.17Å; F181-G258 WeakPolarHBondContact O-CA 3.4Å; F253-G258 WeakPolarHBondContact CD1-O 3.42Å; C254-G258 WeakPolarHBondContact O-CA 3.32Å; C254-G258 PolarHBondContact O-N 2.66Å
259S83.5Confident77.5Confident10 Ų1056.3 Ų56.37%0.0729%0.292CS..  trans-73.4155.9-178.7-55.30000113.8Q178 C254 C257 H279Q178-S259 VanDerWaalsContact CD-CB 3.46Å; Q178-S259 VanDerWaalsContact CD-OG 3.31Å; Q178-S259 PolarHBondContact NE2-OG 3.4Å; Q178-S259 PolarHBondContact OE1-OG 3.43Å; C254-S259 VanDerWaalsContact CB-O 3.26Å; C254-S259 WeakPolarHBondContact CB-O 3.46Å; C254-S259 PolarHBondContact N-O 2.64Å; C257-S259 PolarHBondContact O-N 3.41Å; S259-H279 PolarHBondContact O-CE1 3.04Å
260L81.2Confident78.7Confident33 Ų3347.7 Ų47.717%0.17326%0.255CS..BIsolated β-bridgetrans-62.1141.1178.7-17068.8000112.8P251 T252 F253 W262 H279P251-L260 HydrophobicContact CB-CD1 3.85Å; T252-L260 WeakPolarHBondContact O-CD1 3.37Å; F253-L260 HydrophobicContact CD1-CB 4.07Å; F253-L260 HydrophobicContact CD1-CD1 4.08Å; F253-L260 HydrophobicContact CD2-CD1 4.2Å; F253-L260 HydrophobicContact CE1-CB 3.93Å; F253-L260 HydrophobicContact CE1-CD1 3.79Å; F253-L260 HydrophobicContact CE1-CG 4.45Å; F253-L260 HydrophobicContact CE2-CD1 3.91Å; F253-L260 HydrophobicContact CG-CD1 4.27Å; F253-L260 HydrophobicContact CZ-CD1 3.7Å; L260-W262 HydrophobicContact CD2-CD2 4.25Å; L260-W262 HydrophobicContact CD2-CH2 4.3Å; L260-W262 HydrophobicContact CD2-CZ2 4.02Å; L260-W262 VanDerWaalsContact O-CD1 3.24Å; L260-W262 PolarHBondContact O-N 3.15Å; L260-H279 PolarHBondContact O-CE1 3.09Å; L260-H279 PolarHBondContact O-NE2 3.17Å
261L76.7Confident79.5Confident9 Ų944.6 Ų44.65%0.04723%0.233CC..  trans-81.393.4170.9-60.9177000109.7Y248 T252 C254 Q267 N277 H279Y248-L261 HydrophobicContact CD2-CD1 4.06Å; Y248-L261 HydrophobicContact CE1-CD1 4.39Å; Y248-L261 HydrophobicContact CE2-CD1 3.6Å; T252-L261 HydrophobicContact CG2-CD1 3.91Å; T252-L261 WeakPolarHBondContact O-CB 3.4Å; T252-L261 VanDerWaalsContact O-CG 3.3Å; T252-L261 WeakPolarHBondContact O-CG 3.2Å; T252-L261 PolarHBondContact O-N 3.09Å; C254-L261 HydrophobicContact CB-CD2 3.89Å; L261-Q267 HydrophobicContact CB-CB 4.06Å; L261-N277 HydrophobicContact CD1-CB 4.01Å; L261-H279 HydrophobicContact CD2-CB 4.24Å; L261-H279 VanDerWaalsContact CD2-CD2 3.41Å; L261-H279 WeakPolarHBondContact CD2-CD2 3.43Å
262W65Low80.3Confident108 Ų10845.3 Ų45.341%0.40923%0.226SC..  trans-70.6146.7-176.8-70.695.4000114.1L260 Q267L260-W262 HydrophobicContact CD2-CD2 4.25Å; L260-W262 HydrophobicContact CD2-CH2 4.3Å; L260-W262 HydrophobicContact CD2-CZ2 4.02Å; L260-W262 VanDerWaalsContact O-CD1 3.24Å; L260-W262 PolarHBondContact O-N 3.15Å; W262-Q267 WeakPolarHBondContact O-CB 3.45Å
263G56.3Low80.8Confident50 Ų5049.1 Ų49.152%0.51524%0.244SC..SBendtrans119.2167.6172.600000115.2Q267G263-Q267 VanDerWaalsContact C-CG 3.41Å; G263-Q267 WeakPolarHBondContact O-CG 3.13Å; G263-Q267 PolarHBondContact O-NE2 2.97Å
264I50.6Low80.8Confident157 Ų15748.5 Ų48.581%0.80525%0.246SC*.SBendtrans-92.4-30.7-177.6-54.7173.1000111.7Q267I264-Q267 PolarHBondContact O-NE2 2.91Å
265V54Low80.9Confident94 Ų9454.5 Ų54.557%0.5727%0.272SS*.SBendtrans-141.6138.7-175.9-178.70000109.5T247 Q267T247-V265 HydrophobicContact CG2-CG1 4.45Å; V265-Q267 VanDerWaalsContact C-N 3.3Å; V265-Q267 PolarHBondContact O-N 3.35Å
266R71.3Confident80.9Confident175 Ų17553.4 Ų53.466%0.6627%0.266SS*.SBendtrans55.739.3177.2-66.9172.9-177-172.93113.8T245 H246 T247 G268T245-R266 HydrophobicContact CG2-CB 3.6Å; T245-R266 HydrophobicContact CG2-CG 3.67Å; H246-R266 CarbonylContact O-C 3.59Å; H246-R266 VanDerWaalsContact O-CA 3.3Å; H246-R266 WeakPolarHBondContact O-CA 3.47Å; T247-R266 PolarHBondContact OG1-N 2.87Å; R266-G268 PolarHBondContact O-N 3.41Å; R266-G268 VanDerWaalsContact O-N 3.13Å
267Q74.1Confident80.9Confident23 Ų2354.7 Ų54.711%0.10727%0.273CS..  trans-60.2-25.6-174.9-55.893-33.200113.8H246 Y248 L261 W262 G263 I264 V265H246-Q267 PolarHBondContact O-N 2.96Å; Y248-Q267 HydrophobicContact CD2-CB 4.08Å; Y248-Q267 PolarHBondContact O-NE2 3.15Å; L261-Q267 HydrophobicContact CB-CB 4.06Å; W262-Q267 WeakPolarHBondContact O-CB 3.45Å; G263-Q267 VanDerWaalsContact C-CG 3.41Å; G263-Q267 WeakPolarHBondContact O-CG 3.13Å; G263-Q267 PolarHBondContact O-NE2 2.97Å; I264-Q267 PolarHBondContact O-NE2 2.91Å; V265-Q267 VanDerWaalsContact C-N 3.3Å; V265-Q267 PolarHBondContact O-N 3.35Å
268G86.3Confident81.1Confident0 Ų054.6 Ų54.60%027%0.272CS..EExtended strand (participates in β ladder)trans-165-167.9-174.700000114.5T245 H246 R266 V278T245-G268 WeakPolarHBondContact CA-O 3.35Å; H246-G268 PolarHBondContact N-O 3.45Å; R266-G268 PolarHBondContact O-N 3.41Å; R266-G268 VanDerWaalsContact O-N 3.13Å; G268-V278 WeakPolarHBondContact CA-O 3.2Å
269L91.4Very high81.2Confident11 Ų1155.4 Ų55.46%0.05828%0.276CS..EExtended strand (participates in β ladder)trans-110.8129.4179.1-61.2174.3000109.3F243 Y248 N277 V278 I280 K283F243-L269 HydrophobicContact CB-CB 4.11Å; F243-L269 HydrophobicContact CB-CD1 4.35Å; F243-L269 HydrophobicContact CD1-CB 3.84Å; F243-L269 HydrophobicContact CG-CB 4.15Å; F243-L269 HydrophobicContact CG-CD1 4.49Å; Y248-L269 PolarHBondContact OH-O 2.93Å; L269-N277 WeakPolarHBondContact O-CA 3.45Å; L269-V278 HydrophobicContact CB-CG2 3.95Å; L269-V278 HydrophobicContact CD1-CG2 4.39Å; L269-V278 PolarHBondContact N-O 3.48Å; L269-V278 PolarHBondContact O-N 3.38Å; L269-I280 HydrophobicContact CD2-CG1 4.39Å; L269-I280 HydrophobicContact CG-CG1 4.17Å; L269-K283 HydrophobicContact CD1-CB 3.62Å; L269-K283 HydrophobicContact CD1-CD 3.7Å; L269-K283 HydrophobicContact CD1-CG 3.72Å
270H94.4Very high81.3Confident35 Ų3559.8 Ų59.816%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-106.4130.6173.5-179.674.4000110.3F243 S244 H246 K275 M276 N277F243-H270 WeakPolarHBondContact CA-O 3.42Å; S244-H270 PolarHBondContact N-O 2.93Å; S244-H270 PolarHBondContact O-N 3.19Å; H246-H270 HydrophobicContact CB-CB 3.61Å; H270-K275 VanDerWaalsContact CE1-CA 3.49Å; H270-K275 WeakPolarHBondContact CE1-CA 3.36Å; H270-K275 PolarHBondContact CE1-O 3.09Å; H270-K275 PolarHBondContact ND1-O 3.5Å; H270-M276 CarbonylContact C-O 3.55Å; H270-N277 PolarHBondContact ND1-OD1 3.38Å
271C93.6Very high81.4Confident0 Ų064 Ų640%031%0.312CS..EExtended strand (participates in β ladder)trans-81.6117.4172.7-170.50000110.2K242 F243 I273 K275 M276 C290K242-C271 PolarHBondContact N-SG 2.93Å; F243-C271 HydrophobicContact CD1-CB 3.88Å; F243-C271 HydrophobicContact CE1-CB 3.71Å; F243-C271 HydrophobicContact CZ-CB 4.49Å; C271-I273 PolarHBondContact O-N 3.41Å; C271-I273 VanDerWaalsContact O-N 3.09Å; C271-K275 VanDerWaalsContact O-CA 3.23Å; C271-K275 WeakPolarHBondContact O-CA 3.4Å; C271-K275 PolarHBondContact O-N 2.69Å; C271-M276 HydrophobicContact CB-CB 4.13Å; C271-M276 PolarHBondContact N-O 3.1Å; C271-C290 VanDerWaalsContact SG-SG 3.7Å
272K90.8Very high82Confident121 Ų12163.7 Ų63.753%0.52631%0.31SS..THydrogen-bonded Turntrans-62.3-23.8-177.6-65.1-171.4177.2-172.70114.1K242 S244 K275K242-K272 PolarHBondContact O-N 3.17Å; S244-K272 WeakPolarHBondContact OG-CE 3.35Å; K272-K275 PolarHBondContact O-NZ 3.34Å
273I91Very high83.1Confident101 Ų10164.3 Ų64.352%0.51832%0.315SS..THydrogen-bonded Turntrans-89.8-70.1-173.9-57.1171.4000110.4K242 C271K242-I273 HydrophobicContact CB-CD1 3.88Å; K242-I273 HydrophobicContact CB-CG1 4.22Å; C271-I273 PolarHBondContact O-N 3.41Å; C271-I273 VanDerWaalsContact O-N 3.09Å
274C87.9Confident84.5Confident44 Ų4464 Ų6430%0.29731%0.312SS..THydrogen-bonded Turntrans-90.33.2-174.863.30000114.6H241 M276H241-C274 PolarHBondContact CE1-SG 2.92Å; H241-C274 PolarHBondContact ND1-SG 3.04Å; C274-M276 PolarHBondContact O-N 3.48Å; C274-M276 VanDerWaalsContact O-N 3.1Å
275K92Very high86.4Confident127 Ų12756.8 Ų56.855%0.55228%0.275SS*.  trans65.56.3179.3-48.9-54-177.8-171.30116.4H270 C271 K272 N277H270-K275 VanDerWaalsContact CE1-CA 3.49Å; H270-K275 WeakPolarHBondContact CE1-CA 3.36Å; H270-K275 PolarHBondContact CE1-O 3.09Å; H270-K275 PolarHBondContact ND1-O 3.5Å; C271-K275 VanDerWaalsContact O-CA 3.23Å; C271-K275 WeakPolarHBondContact O-CA 3.4Å; C271-K275 PolarHBondContact O-N 2.69Å; K272-K275 PolarHBondContact O-NZ 3.34Å; K275-N277 PolarHBondContact O-N 3.39Å; K275-N277 PolarHBondContact O-OD1 3.12Å
276M92.1Very high88.1Confident18 Ų1853 Ų539%0.08925%0.252CS..  trans-57.5133.8176.4-167.6-174.2-169.900112.3F183 H241 F243 D255 H256 H270 C271 C274 V278 V286F183-M276 HydrophobicContact CE2-CE 4.33Å; H241-M276 VanDerWaalsContact CE1-SD 3.59Å; F243-M276 HydrophobicContact CZ-SD 4.29Å; D255-M276 HydrophobicContact CB-CE 3.54Å; D255-M276 HydrophobicContact CB-CG 3.48Å; D255-M276 VanDerWaalsContact CB-CG 3.48Å; D255-M276 HydrophobicContact CB-SD 4.38Å; D255-M276 VanDerWaalsContact OD2-CA 3.25Å; D255-M276 WeakPolarHBondContact OD2-CA 3.44Å; D255-M276 WeakPolarHBondContact OD2-CG 3.11Å; H256-M276 HydrophobicContact CB-CE 4.24Å; H270-M276 CarbonylContact C-O 3.55Å; C271-M276 HydrophobicContact CB-CB 4.13Å; C271-M276 PolarHBondContact N-O 3.1Å; C274-M276 PolarHBondContact O-N 3.48Å; C274-M276 VanDerWaalsContact O-N 3.1Å; M276-V278 HydrophobicContact CE-CG1 3.66Å; M276-V278 HydrophobicContact CG-CG1 3.98Å; M276-V278 HydrophobicContact SD-CG1 4Å; M276-V286 HydrophobicContact CE-CG1 3.95Å; M276-V286 HydrophobicContact CE-CG2 4.21Å; M276-V286 HydrophobicContact SD-CG1 3.82Å
277N93.4Very high88.8Confident30 Ų3045.1 Ų45.116%0.1622%0.224CC..EExtended strand (participates in β ladder)trans-110.6126.1178.4-58.7-50.3000109.8Y248 T252 C254 D255 L261 L269 H270 K275Y248-N277 HydrophobicContact CE1-CB 4.11Å; Y248-N277 WeakPolarHBondContact CE1-OD1 2.9Å; Y248-N277 WeakPolarHBondContact OH-CB 3.46Å; Y248-N277 PolarHBondContact OH-OD1 2.89Å; T252-N277 HydrophobicContact CG2-CB 3.97Å; C254-N277 CarbonylContact C-O 3.55Å; C254-N277 WeakPolarHBondContact CA-O 3.47Å; D255-N277 WeakPolarHBondContact CB-O 3.47Å; D255-N277 PolarHBondContact N-O 2.94Å; D255-N277 PolarHBondContact OD2-N 3.47Å; L261-N277 HydrophobicContact CD1-CB 4.01Å; L269-N277 WeakPolarHBondContact O-CA 3.45Å; H270-N277 PolarHBondContact ND1-OD1 3.38Å; K275-N277 PolarHBondContact O-N 3.39Å; K275-N277 PolarHBondContact O-OD1 3.12Å
278V92.6Very high89.5Confident0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-141.3152.6-178.9-60.30000112F243 H256 G268 L269 M276 C282 V286F243-V278 HydrophobicContact CD1-CG2 4.1Å; F243-V278 HydrophobicContact CE1-CG1 4.42Å; F243-V278 HydrophobicContact CE1-CG2 3.54Å; F243-V278 HydrophobicContact CE2-CG2 4.28Å; F243-V278 HydrophobicContact CZ-CG1 4.31Å; F243-V278 HydrophobicContact CZ-CG2 3.65Å; H256-V278 HydrophobicContact CB-CG1 4.18Å; G268-V278 WeakPolarHBondContact CA-O 3.2Å; L269-V278 HydrophobicContact CB-CG2 3.95Å; L269-V278 HydrophobicContact CD1-CG2 4.39Å; L269-V278 PolarHBondContact N-O 3.48Å; L269-V278 PolarHBondContact O-N 3.38Å; M276-V278 HydrophobicContact CE-CG1 3.66Å; M276-V278 HydrophobicContact CG-CG1 3.98Å; M276-V278 HydrophobicContact SD-CG1 4Å; V278-C282 HydrophobicContact CB-CB 4.34Å; V278-V286 HydrophobicContact CB-CG2 4.41Å; V278-V286 HydrophobicContact CG1-CG2 3.84Å
279H87.4Confident89.6Confident17 Ų1747.3 Ų47.38%0.07924%0.239CC..  trans-60.7152.7170-62.3101.6000110.5C254 C257 S259 L260 L261 R281 C282 K283C254-H279 WeakPolarHBondContact CB-CE1 3.36Å; C254-H279 VanDerWaalsContact CB-ND1 3.31Å; C254-H279 WeakPolarHBondContact CB-ND1 3.5Å; C254-H279 PolarHBondContact SG-N 3.18Å; C254-H279 PolarHBondContact SG-ND1 3.31Å; C254-H279 VanDerWaalsContact SG-ND1 3.4Å; C257-H279 VanDerWaalsContact SG-CE1 3.51Å; C257-H279 PolarHBondContact SG-ND1 3.15Å; S259-H279 PolarHBondContact O-CE1 3.04Å; L260-H279 PolarHBondContact O-CE1 3.09Å; L260-H279 PolarHBondContact O-NE2 3.17Å; L261-H279 HydrophobicContact CD2-CB 4.24Å; L261-H279 VanDerWaalsContact CD2-CD2 3.41Å; L261-H279 WeakPolarHBondContact CD2-CD2 3.43Å; H279-R281 HydrophobicContact CB-CG 3.75Å; H279-R281 PolarHBondContact O-N 3.33Å; H279-C282 HydrophobicContact CB-CB 4.12Å; H279-C282 PolarHBondContact O-N 3.35Å; H279-K283 PolarHBondContact O-N 2.91Å
280I84.4Confident89.4Confident103 Ų10347.2 Ų47.253%0.52824%0.239SC..THydrogen-bonded Turntrans-55.7-42.8172.4-59.3173.7000110.4L269 C282 K283L269-I280 HydrophobicContact CD2-CG1 4.39Å; L269-I280 HydrophobicContact CG-CG1 4.17Å; I280-C282 VanDerWaalsContact C-N 3.29Å; I280-C282 PolarHBondContact O-N 3.41Å; I280-K283 WeakPolarHBondContact O-CB 3.28Å; I280-K283 PolarHBondContact O-N 2.89Å
281R84.1Confident88.9Confident122 Ų12248.3 Ų48.346%0.4626%0.26SS..THydrogen-bonded Turntrans-63.2-30.5175.366.8177.3179.8172.3-4.3113.9R25 H279 K283R25-R281 PolarHBondContact O-NH1 3.01Å; H279-R281 HydrophobicContact CB-CG 3.75Å; H279-R281 PolarHBondContact O-N 3.33Å; R281-K283 VanDerWaalsContact C-N 3.35Å
282C88.6Confident88.4Confident1 Ų150.4 Ų50.41%0.00727%0.273CS..THydrogen-bonded Turntrans-81.8-12.4-177.8-68.50000113H256 V278 H279 I280 G284 N285 V286H256-C282 HydrophobicContact CB-CB 4.44Å; V278-C282 HydrophobicContact CB-CB 4.34Å; H279-C282 HydrophobicContact CB-CB 4.12Å; H279-C282 PolarHBondContact O-N 3.35Å; I280-C282 VanDerWaalsContact C-N 3.29Å; I280-C282 PolarHBondContact O-N 3.41Å; C282-G284 VanDerWaalsContact C-N 3.26Å; C282-G284 PolarHBondContact O-N 3.37Å; C282-G284 VanDerWaalsContact O-N 3.13Å; C282-N285 WeakPolarHBondContact O-CA 3.21Å; C282-N285 WeakPolarHBondContact O-CB 3.37Å; C282-N285 PolarHBondContact O-N 3.09Å; C282-V286 WeakPolarHBondContact O-CG2 3.2Å; C282-V286 PolarHBondContact O-N 2.98Å
283K88.8Confident88Confident122 Ų12248.9 Ų48.953%0.5327%0.271SS..G310 helixtrans-48.7-45-178.1-170.9-173177.9-1790113.4F243 L269 H279 I280 R281 N285F243-K283 HydrophobicContact CD2-CG 4.2Å; L269-K283 HydrophobicContact CD1-CB 3.62Å; L269-K283 HydrophobicContact CD1-CD 3.7Å; L269-K283 HydrophobicContact CD1-CG 3.72Å; H279-K283 PolarHBondContact O-N 2.91Å; I280-K283 WeakPolarHBondContact O-CB 3.28Å; I280-K283 PolarHBondContact O-N 2.89Å; R281-K283 VanDerWaalsContact C-N 3.35Å; K283-N285 VanDerWaalsContact C-N 3.27Å; K283-N285 PolarHBondContact O-N 3.31Å
284G85.6Confident87.4Confident42 Ų4245.1 Ų45.143%0.43325%0.253SS..G310 helixtrans-79.1-5.5-179.600000114.8R221 C282R221-G284 PolarHBondContact NE-O 3.28Å; R221-G284 VanDerWaalsContact NE-O 3.15Å; C282-G284 VanDerWaalsContact C-N 3.26Å; C282-G284 PolarHBondContact O-N 3.37Å; C282-G284 VanDerWaalsContact O-N 3.13Å
285N89.9Confident87.2Confident7 Ų745.2 Ų45.24%0.03725%0.252CS..G310 helixtrans-102.1-9.2-178.8-64.2-0.5000112.6T21 C203 P220 R221 H256 C282 K283T21-N285 PolarHBondContact OG1-ND2 3.34Å; C203-N285 HydrophobicContact CB-CB 4.18Å; C203-N285 WeakPolarHBondContact O-CB 3.44Å; C203-N285 PolarHBondContact O-ND2 2.88Å; P220-N285 WeakPolarHBondContact CG-O 3.26Å; R221-N285 VanDerWaalsContact CZ-OD1 3.3Å; R221-N285 PolarHBondContact NE-OD1 3.46Å; R221-N285 PolarHBondContact NH2-OD1 2.97Å; H256-N285 PolarHBondContact CE1-O 3.12Å; H256-N285 WeakPolarHBondContact NE2-CB 3.1Å; C282-N285 WeakPolarHBondContact O-CA 3.21Å; C282-N285 WeakPolarHBondContact O-CB 3.37Å; C282-N285 PolarHBondContact O-N 3.09Å; K283-N285 VanDerWaalsContact C-N 3.27Å; K283-N285 PolarHBondContact O-N 3.31Å
286V89.6Confident86.8Confident15 Ų1544.6 Ų44.69%0.09125%0.251CS..SBendtrans-84.8134.7-177.8175.40000110.5F243 H256 M276 V278 C282F243-V286 HydrophobicContact CE2-CG1 4.49Å; F243-V286 HydrophobicContact CZ-CG1 4.33Å; H256-V286 HydrophobicContact CB-CG2 3.95Å; M276-V286 HydrophobicContact CE-CG1 3.95Å; M276-V286 HydrophobicContact CE-CG2 4.21Å; M276-V286 HydrophobicContact SD-CG1 3.82Å; V278-V286 HydrophobicContact CB-CG2 4.41Å; V278-V286 HydrophobicContact CG1-CG2 3.84Å; C282-V286 WeakPolarHBondContact O-CG2 3.2Å; C282-V286 PolarHBondContact O-N 2.98Å
287A87.8Confident86.3Confident8 Ų845.9 Ų45.97%0.06626%0.258CS..  trans-69.1146.4177.500000111.7T217 P220 H241 N289T217-A287 HydrophobicContact CG2-CB 4.01Å; P220-A287 HydrophobicContact CG-CB 3.99Å; H241-A287 PolarHBondContact CD2-O 3.17Å; H241-A287 PolarHBondContact NE2-O 3.1Å; A287-N289 PolarHBondContact O-N 3.4Å; A287-N289 PolarHBondContact O-OD1 3.48Å; A287-N289 VanDerWaalsContact O-OD1 3.13Å
288P87.7Confident85.7Confident51 Ų5144.7 Ų44.733%0.33125%0.253SS..SBendtrans-81.666.917834.6-35.5000110.7N238 V239N238-P288 CarbonylContact C-O 3.45Å; N238-P288 VanDerWaalsContact CA-O 3.27Å; N238-P288 WeakPolarHBondContact CA-O 3.38Å; N238-P288 WeakPolarHBondContact OD1-CB 3.49Å; N238-P288 VanDerWaalsContact OD1-CG 3.3Å; N238-P288 WeakPolarHBondContact OD1-CG 3.3Å; V239-P288 CarbonylContact C-O 3.42Å; V239-P288 PolarHBondContact N-O 2.71Å; V239-P288 CarbonylContact O-C 3.57Å; V239-P288 VanDerWaalsContact O-O 3.09Å
289N87.8Confident85.1Confident19 Ų1948.8 Ų48.810%0.10228%0.275CS..BIsolated β-bridgetrans-125.340.9179.566.2-42.8000112.2T217 I237 V239 A287 G291 V292T217-N289 HydrophobicContact CG2-CB 4.47Å; T217-N289 VanDerWaalsContact CG2-ND2 3.27Å; T217-N289 WeakPolarHBondContact CG2-ND2 3.45Å; I237-N289 HydrophobicContact CG2-CB 4.4Å; V239-N289 PolarHBondContact O-N 3.14Å; A287-N289 PolarHBondContact O-N 3.4Å; A287-N289 PolarHBondContact O-OD1 3.48Å; A287-N289 VanDerWaalsContact O-OD1 3.13Å; N289-G291 PolarHBondContact O-N 3.41Å; N289-V292 HydrophobicContact CB-CG2 4.39Å; N289-V292 WeakPolarHBondContact O-CB 3.23Å; N289-V292 WeakPolarHBondContact O-CG2 3.31Å; N289-V292 PolarHBondContact O-N 3.17Å
290C88.9Confident84.7Confident8 Ų852.5 Ų52.55%0.05429%0.29CS..THydrogen-bonded Turntrans-57.9128.1-175.4-178.20000112.2V239 H241 C271V239-C290 HydrophobicContact CG1-CB 4.19Å; V239-C290 VanDerWaalsContact O-CB 3.28Å; V239-C290 WeakPolarHBondContact O-CB 3.21Å; V239-C290 PolarHBondContact O-N 3.11Å; H241-C290 HydrophobicContact CB-CB 4.39Å; C271-C290 VanDerWaalsContact SG-SG 3.7Å
291G82.6Confident84.4Confident58 Ų5849.4 Ų49.460%0.59828%0.275SS*.THydrogen-bonded Turntrans89.23.5177.100000114.6N289N289-G291 PolarHBondContact O-N 3.41Å
292V83.9Confident84.1Confident45 Ų4546.3 Ų46.327%0.27328%0.276SS..  trans-97.3127177.9-177.30000110.6I237 N289 S294 L297I237-V292 HydrophobicContact CD1-CG1 3.97Å; I237-V292 HydrophobicContact CD1-CG2 3.8Å; I237-V292 HydrophobicContact CG2-CG2 3.9Å; N289-V292 HydrophobicContact CB-CG2 4.39Å; N289-V292 WeakPolarHBondContact O-CB 3.23Å; N289-V292 WeakPolarHBondContact O-CG2 3.31Å; N289-V292 PolarHBondContact O-N 3.17Å; V292-S294 PolarHBondContact O-N 3.22Å; V292-L297 HydrophobicContact CG1-CB 4.39Å; V292-L297 HydrophobicContact CG1-CD2 3.78Å
293N81.7Confident83.6Confident89 Ų8952.6 Ų52.648%0.47631%0.305SS..  trans-75.9108.5168.6-173.8-23.3000109.6V295 E296 L297N293-V295 VanDerWaalsContact C-N 3.32Å; N293-V295 PolarHBondContact O-N 3.28Å; N293-V295 PolarHBondContact OD1-N 3.17Å; N293-V295 VanDerWaalsContact OD1-N 3.08Å; N293-E296 HydrophobicContact CB-CB 3.97Å; N293-E296 PolarHBondContact OD1-N 3.45Å; N293-L297 WeakPolarHBondContact O-CB 3.4Å; N293-L297 PolarHBondContact O-N 3.01Å
294S78.9Confident82.9Confident21 Ų2152.9 Ų52.915%0.14731%0.309CS..Hα-helixtrans-70.2-27.4-174.4-62.20000113.3V292 A298V292-S294 PolarHBondContact O-N 3.22Å; S294-A298 WeakPolarHBondContact O-CB 3.47Å; S294-A298 PolarHBondContact O-N 3.48Å; S294-A298 VanDerWaalsContact O-N 3.14Å
295V83.8Confident82.1Confident47 Ų4753.3 Ų53.329%0.28531%0.314SS..Hα-helixtrans-74-49.7177.4178.70000110H184 N293 L297 A298 N299H184-V295 VanDerWaalsContact O-CG2 3.25Å; H184-V295 WeakPolarHBondContact O-CG2 3.47Å; N293-V295 VanDerWaalsContact C-N 3.32Å; N293-V295 PolarHBondContact O-N 3.28Å; N293-V295 PolarHBondContact OD1-N 3.17Å; N293-V295 VanDerWaalsContact OD1-N 3.08Å; V295-L297 VanDerWaalsContact C-N 3.32Å; V295-L297 PolarHBondContact O-N 3.26Å; V295-A298 PolarHBondContact O-N 2.95Å; V295-N299 PolarHBondContact O-N 2.89Å; V295-N299 PolarHBondContact O-ND2 3.31Å
296E83.7Confident81.2Confident114 Ų11457.8 Ų57.853%0.53334%0.338SS..Hα-helixtrans-61.1-42.5178.7-171.1-179.717600111.6N293 A298 N299 K300N293-E296 HydrophobicContact CB-CB 3.97Å; N293-E296 PolarHBondContact OD1-N 3.45Å; E296-A298 PolarHBondContact O-N 3.04Å; E296-N299 PolarHBondContact O-N 2.98Å; E296-K300 WeakPolarHBondContact O-CG 3.41Å; E296-K300 PolarHBondContact O-N 2.74Å
297L80.8Confident79.9Confident44 Ų4462.7 Ų62.723%0.2336%0.36CS..Hα-helixtrans-62.2-43175.8-179.558.4000111.9V216 I237 V292 N293 V295 K300 L301V216-L297 HydrophobicContact CG2-CD2 3.94Å; V216-L297 HydrophobicContact CG2-CG 4.32Å; I237-L297 HydrophobicContact CD1-CD2 3.84Å; V292-L297 HydrophobicContact CG1-CB 4.39Å; V292-L297 HydrophobicContact CG1-CD2 3.78Å; N293-L297 WeakPolarHBondContact O-CB 3.4Å; N293-L297 PolarHBondContact O-N 3.01Å; V295-L297 VanDerWaalsContact C-N 3.32Å; V295-L297 PolarHBondContact O-N 3.26Å; L297-K300 PolarHBondContact O-N 3.13Å; L297-L301 HydrophobicContact CD1-CD1 4.2Å; L297-L301 HydrophobicContact CD1-CG 4.31Å; L297-L301 HydrophobicContact CG-CD1 4.11Å; L297-L301 WeakPolarHBondContact O-CB 3.32Å; L297-L301 VanDerWaalsContact O-CG 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.2Å; L297-L301 PolarHBondContact O-N 3.4Å
298A80.9Confident78.4Confident6 Ų663.3 Ų63.35%0.0537%0.365CS..Hα-helixtrans-63.3-42.3176.700000111.9L214 V216 S294 V295 E296 L301 A302L214-A298 HydrophobicContact CB-CB 4.34Å; V216-A298 HydrophobicContact CG1-CB 3.96Å; S294-A298 WeakPolarHBondContact O-CB 3.47Å; S294-A298 PolarHBondContact O-N 3.48Å; S294-A298 VanDerWaalsContact O-N 3.14Å; V295-A298 PolarHBondContact O-N 2.95Å; E296-A298 PolarHBondContact O-N 3.04Å; A298-L301 PolarHBondContact O-N 2.77Å; A298-A302 WeakPolarHBondContact O-CB 3.3Å; A298-A302 PolarHBondContact O-N 2.78Å
299N79.6Confident76.9Confident86 Ų8662.8 Ų62.846%0.4637%0.369SS..Hα-helixtrans-62.8-44176.9-69.9-18000111.6V295 E296 L301 A302 E303V295-N299 PolarHBondContact O-N 2.89Å; V295-N299 PolarHBondContact O-ND2 3.31Å; E296-N299 PolarHBondContact O-N 2.98Å; N299-L301 PolarHBondContact O-N 3.13Å; N299-A302 WeakPolarHBondContact O-CB 3.45Å; N299-A302 PolarHBondContact O-N 3.17Å; N299-E303 PolarHBondContact O-N 2.91Å
300K80.3Confident75Confident94 Ų9465.3 Ų65.341%0.40940%0.399SS..Hα-helixtrans-65.3-37.7176.5-70.5-62.2174.3-1520113.1E296 L297 A302 E303 M304E296-K300 WeakPolarHBondContact O-CG 3.41Å; E296-K300 PolarHBondContact O-N 2.74Å; L297-K300 PolarHBondContact O-N 3.13Å; K300-A302 VanDerWaalsContact C-N 3.35Å; K300-E303 WeakPolarHBondContact CD-OE2 2.9Å; K300-E303 VanDerWaalsContact NZ-CD 3.26Å; K300-E303 IonicContact NZ-OE1 3.99Å; K300-E303 PolarHBondContact NZ-OE1 3.05Å; K300-E303 IonicContact NZ-OE2 3.68Å; K300-E303 PolarHBondContact NZ-OE2 2.88Å; K300-E303 PolarHBondContact O-N 3.25Å; K300-M304 HydrophobicContact CB-CE 4.3Å; K300-M304 WeakPolarHBondContact O-CE 3.48Å; K300-M304 WeakPolarHBondContact O-CG 3.42Å; K300-M304 PolarHBondContact O-N 3.46Å
301L77.8Confident72.5Confident38 Ų3871.7 Ų71.720%0.19943%0.432CS..Hα-helixtrans-65.6-39.8172.9-71.5169.6000111.7V216 L297 A298 N299 M304 G305 L306V216-L301 HydrophobicContact CB-CD1 4.35Å; V216-L301 HydrophobicContact CG1-CD1 3.68Å; L297-L301 HydrophobicContact CD1-CD1 4.2Å; L297-L301 HydrophobicContact CD1-CG 4.31Å; L297-L301 HydrophobicContact CG-CD1 4.11Å; L297-L301 WeakPolarHBondContact O-CB 3.32Å; L297-L301 VanDerWaalsContact O-CG 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.2Å; L297-L301 PolarHBondContact O-N 3.4Å; A298-L301 PolarHBondContact O-N 2.77Å; N299-L301 PolarHBondContact O-N 3.13Å; L301-M304 HydrophobicContact CD2-CE 4.23Å; L301-M304 CarbonylContact O-C 3.53Å; L301-M304 WeakPolarHBondContact O-CA 2.8Å; L301-M304 PolarHBondContact O-N 3.29Å; L301-M304 VanDerWaalsContact O-N 3.12Å; L301-G305 PolarHBondContact O-N 2.65Å; L301-L306 CarbonylContact C-O 3.53Å; L301-L306 VanDerWaalsContact C-O 3.25Å; L301-L306 HydrophobicContact CB-CB 4.29Å; L301-L306 HydrophobicContact CD2-CB 4.31Å; L301-L306 HydrophobicContact CD2-CD1 3.92Å; L301-L306 WeakPolarHBondContact O-CB 3.45Å; L301-L306 PolarHBondContact O-N 2.81Å; L301-L306 VanDerWaalsContact O-O 3.12Å
302A76.8Confident70Confident58 Ų5873.8 Ų73.848%0.47944%0.437SS..Hα-helixtrans-64.2-4117600000112.6A298 N299 K300 M304 G305A298-A302 WeakPolarHBondContact O-CB 3.3Å; A298-A302 PolarHBondContact O-N 2.78Å; N299-A302 WeakPolarHBondContact O-CB 3.45Å; N299-A302 PolarHBondContact O-N 3.17Å; K300-A302 VanDerWaalsContact C-N 3.35Å; A302-M304 PolarHBondContact O-N 3.33Å; A302-G305 PolarHBondContact O-N 2.85Å
303E78.7Confident67.6Low133 Ų13380.4 Ų80.462%0.62146%0.463SS*.Hα-helixtrans-56.9-36.2171.5-74.7173.8-158.300111.7N299 K300 G305N299-E303 PolarHBondContact O-N 2.91Å; K300-E303 WeakPolarHBondContact CD-OE2 2.9Å; K300-E303 VanDerWaalsContact NZ-CD 3.26Å; K300-E303 IonicContact NZ-OE1 3.99Å; K300-E303 PolarHBondContact NZ-OE1 3.05Å; K300-E303 IonicContact NZ-OE2 3.68Å; K300-E303 PolarHBondContact NZ-OE2 2.88Å; K300-E303 PolarHBondContact O-N 3.25Å; E303-G305 PolarHBondContact O-N 3.16Å
304M73.9Confident65.2Low127 Ų12787.3 Ų87.363%0.62648%0.482SS*.THydrogen-bonded Turntrans-81.84.1176.4-67.8-176.7-88.300113.7K300 L301 A302 L306K300-M304 HydrophobicContact CB-CE 4.3Å; K300-M304 WeakPolarHBondContact O-CE 3.48Å; K300-M304 WeakPolarHBondContact O-CG 3.42Å; K300-M304 PolarHBondContact O-N 3.46Å; L301-M304 HydrophobicContact CD2-CE 4.23Å; L301-M304 CarbonylContact O-C 3.53Å; L301-M304 WeakPolarHBondContact O-CA 2.8Å; L301-M304 PolarHBondContact O-N 3.29Å; L301-M304 VanDerWaalsContact O-N 3.12Å; A302-M304 PolarHBondContact O-N 3.33Å; M304-L306 VanDerWaalsContact C-N 3.29Å; M304-L306 HydrophobicContact CB-CD1 4.35Å; M304-L306 HydrophobicContact CB-CG 4.46Å; M304-L306 PolarHBondContact O-N 2.76Å
305G69.5Low62.8Low52 Ų5293.3 Ų93.354%0.53651%0.512SS..THydrogen-bonded Turntrans73.416.5-179.200000114.6L301 A302 E303L301-G305 PolarHBondContact O-N 2.65Å; A302-G305 PolarHBondContact O-N 2.85Å; E303-G305 PolarHBondContact O-N 3.16Å
306L69.6Low60.2Low101 Ų10197.8 Ų97.853%0.52954%0.54SS..PPolyproline II helixtrans-101.6123.2179.5-61.4171.6000109.8L301 M304L301-L306 CarbonylContact C-O 3.53Å; L301-L306 VanDerWaalsContact C-O 3.25Å; L301-L306 HydrophobicContact CB-CB 4.29Å; L301-L306 HydrophobicContact CD2-CB 4.31Å; L301-L306 HydrophobicContact CD2-CD1 3.92Å; L301-L306 WeakPolarHBondContact O-CB 3.45Å; L301-L306 PolarHBondContact O-N 2.81Å; L301-L306 VanDerWaalsContact O-O 3.12Å; M304-L306 VanDerWaalsContact C-N 3.29Å; M304-L306 HydrophobicContact CB-CD1 4.35Å; M304-L306 HydrophobicContact CB-CG 4.46Å; M304-L306 PolarHBondContact O-N 2.76Å
307Q62.8Low57.6Low118 Ų118100.8 Ų100.855%0.55156%0.556SS**PPolyproline II helixtrans-100.8148.7171.1-73-175.6-7.700110.7G309 G310 L311Q307-G309 PolarHBondContact O-N 2.87Å; Q307-G310 PolarHBondContact O-N 2.79Å; Q307-L311 PolarHBondContact OE1-O 3.05Å
308A57.6Low55.1Low21 Ų21107.1 Ų107.117%0.17458%0.584CS.*THydrogen-bonded Turntrans-63.2121.5170.800000109.6V166 N167 Q213 V215 V216V166-A308 HydrophobicContact CG1-CB 4.05Å; N167-A308 WeakPolarHBondContact ND2-CB 3.37Å; Q213-A308 WeakPolarHBondContact O-CB 3.47Å; V215-A308 WeakPolarHBondContact O-CB 3.24Å; V216-A308 HydrophobicContact CG1-CB 4.37Å
309G54.8Low52.7Low40 Ų40113.4 Ų113.441%0.41262%0.622SS.*THydrogen-bonded Turntrans97.410.4178.500000117.2N167 Q307 L311N167-G309 PolarHBondContact OD1-N 3.01Å; N167-G309 VanDerWaalsContact OD1-N 3.14Å; Q307-G309 PolarHBondContact O-N 2.87Å; G309-L311 PolarHBondContact O-N 2.78Å
310G48.4Very low50.2Low72 Ų72118.3 Ų118.374%0.74264%0.639SS**SBendtrans74.116.7158.500000118Q307Q307-G310 PolarHBondContact O-N 2.79Å
311L36.8Very low47.7Very low142 Ų142122.1 Ų122.174%0.74366%0.659SS**  trans-103.895.2172.3-72.4168.3000110.9Q307 G309 K313Q307-L311 PolarHBondContact OE1-O 3.05Å; G309-L311 PolarHBondContact O-N 2.78Å; L311-K313 PolarHBondContact O-N 3.23Å
312S30.4Very low45.4Very low101 Ų101126.6 Ų126.671%0.70669%0.69SS**  trans-75102.2176-157.30000110.3
313K33.7Very low43.1Very low185 Ų185135.7 Ų135.780%0.80471%0.712SS**  trans-87.3100.6159.7-80.8-172.6179.6179.30108.4L311 N315L311-K313 PolarHBondContact O-N 3.23Å; K313-N315 PolarHBondContact O-N 3.23Å
314R31Very low40.7Very low233 Ų233140.7 Ų140.788%0.87973%0.725SS**  trans-62.6101.2165.1-81.8179.9174163.4-1.9109
315N27.9Very low38.8Very low147 Ų147143.6 Ų143.679%0.78674%0.737SS**  trans-94.1108.6156.3-87.2-6.2000107.9K313 M317K313-N315 PolarHBondContact O-N 3.23Å; N315-M317 PolarHBondContact O-N 2.87Å; N315-M317 VanDerWaalsContact O-N 3.15Å
316T29Very low36.8Very low141 Ų141147 Ų14787%0.86575%0.75SS**  trans-62.2106.5167.516.90000109.2Q318T316-Q318 PolarHBondContact O-N 3.4Å
317M29Very low35.2Very low178 Ų178147.2 Ų147.288%0.87776%0.76SS**  trans-73112.3165.1-69-168.584.600108.8N315 V319N315-M317 PolarHBondContact O-N 2.87Å; N315-M317 VanDerWaalsContact O-N 3.15Å; M317-V319 PolarHBondContact O-N 3.23Å
318Q28.7Very low33.5Very low176 Ų176149.8 Ų149.882%0.82277%0.772SS**  trans-78.2112.7160.8-81.9-174.5-13.300108.5T316 K320T316-Q318 PolarHBondContact O-N 3.4Å; Q318-K320 PolarHBondContact O-N 3.43Å
319V29.5Very low32.1Very low138 Ų138159.6 Ų159.684%0.83680%0.804SS**  trans-65.5120.6166.7178.20000108M317M317-V319 PolarHBondContact O-N 3.23Å
320K28.2Very low31Very low189 Ų189164.4 Ų164.482%0.82283%0.825SS**  trans-107.4121.7165-84.7-174.4176.8177.30109.1Q318Q318-K320 PolarHBondContact O-N 3.43Å
321E28.3Very low30.1Very low175 Ų175169.7 Ų169.782%0.81883%0.831SS**PPolyproline II helixtrans-59158.9172.5-78.7-178.2155.400113.5R323E321-R323 PolarHBondContact O-N 3.08Å
322P29Very low29.8Very low132 Ų132168.1 Ų168.186%0.85783%0.832SS**PPolyproline II helixtrans-76120.1-178.530.6-31.8000110.9
323R28.1Very low29.7Very low249 Ų249169.3 Ų169.394%0.9484%0.835SS**PPolyproline II helixtrans-94.9132.9167.2-92.2-175.3175.1-174.1-1.6111E321E321-R323 PolarHBondContact O-N 3.08Å
324R29.2Very low29.7Very low238 Ų238167.1 Ų167.190%0.89884%0.837SS**PPolyproline II helixtrans-54144.3-179.3-67.9172.4173.5175.5-4113.1
325Q33.7Very low29.7Very low188 Ų188162.3 Ų162.388%0.87983%0.834SS**PPolyproline II helixtrans-55.7149.2166.1-67.7175.5-9.500112
326P27.6Very low29.9Very low124 Ų124164.6 Ų164.681%0.80584%0.84SS**  trans-109.8128.6140.211.18.5000109.9
327S35Very low29.9Very low105 Ų105162.7 Ų162.773%0.73484%0.839SS**  trans-66.1134.8160.955.80000110.6
328E28.6Very low30.1Very low172 Ų172162.3 Ų162.380%0.80484%0.835SS**  trans-172.1109.7148.9-106.6164.7-165.600107.7
329R27.6Very low30.5Very low227 Ų227160 Ų16086%0.85784%0.835SS**  100.6106.290.4-92.6-173.3-167-139.50.5110.1E331R329-E331 PolarHBondContact O-N 2.8Å
330T31.5Very low31.1Very low140 Ų140160.4 Ų160.486%0.85983%0.828SS**  trans-58.6119.8169.4-42.20000110.2
331E29Very low32.2Very low183 Ų183155.5 Ų155.586%0.85581%0.814SS**  trans-119.1107.8155.5-82.9-173.1170.900108.8R329 T333R329-E331 PolarHBondContact O-N 2.8Å; E331-T333 PolarHBondContact O-N 3.35Å
332S30.2Very low33.5Very low109 Ų109151.1 Ų151.176%0.76280%0.8SS**  trans-68.3115.1172.248.60000109.8
333T28.3Very low35.4Very low126 Ų126153.3 Ų153.377%0.77379%0.792SS**  trans-109103.9162-32.80000107.6E331 T335E331-T333 PolarHBondContact O-N 3.35Å; T333-T335 PolarHBondContact O-N 2.96Å
334T34.2Very low38Very low139 Ų139143.1 Ų143.185%0.85376%0.756SS**  trans-57.8118.1171.335.60000109.9
335T31.2Very low40.8Very low133 Ų133132.8 Ų132.882%0.81672%0.723SS**  trans-122130.5162.7-29.20000107.5T333T333-T335 PolarHBondContact O-N 2.96Å
336E31.5Very low43.4Very low194 Ų194126.8 Ų126.891%0.90770%0.696SS**PPolyproline II helixtrans-57.9134-167.3-6716714600113.1Q338E336-Q338 PolarHBondContact O-N 3.19Å
337A30.6Very low46.4Very low102 Ų102125.4 Ų125.484%0.84369%0.689SS**PPolyproline II helixtrans-73.311817900000110.8
338Q32.9Very low49Very low170 Ų170123 Ų12379%0.79467%0.669SS**PPolyproline II helixtrans-74.1148.4149.8-71.5-163.3-8.600108.7E336 E340E336-Q338 PolarHBondContact O-N 3.19Å; Q338-E340 PolarHBondContact O-N 3.32Å
339P35.5Very low52.1Low127 Ų127115.3 Ų115.383%0.82563%0.633SS**  trans-64.5103.3-178.626.3-32.2000109.2T341P339-T341 PolarHBondContact O-N 3.01Å
340E41.9Very low55.3Low146 Ų146107.7 Ų107.768%0.68261%0.611SS**  trans-67.6114.7173.8-69.3-158.3143.700108.5Q338 R343Q338-E340 PolarHBondContact O-N 3.32Å; E340-R343 IonicContact OE1-NH2 3.61Å
341T52Low58.3Low86 Ų86102.8 Ų102.853%0.52858%0.578SS.*  trans-49.7137.7163.449.60000109.2P339 R343P339-T341 PolarHBondContact O-N 3.01Å; T341-R343 PolarHBondContact O-N 3.35Å
342P56.6Low61.4Low83 Ų8396.8 Ų96.854%0.53955%0.552SS.*  trans-52.3118.3178.9-21.329.8000110.4L344 L677P342-L344 PolarHBondContact O-N 3.15Å; P342-L677 HydrophobicContact CB-CD2 4.4Å; P342-L677 HydrophobicContact CG-CD2 4.02Å
343R69.1Low64.4Low178 Ų17894.1 Ų94.167%0.67253%0.527SS*.  trans-90.4107.1177.6-69.8-172.8-176.9174.68.5108.6E340 T341E340-R343 IonicContact OE1-NH2 3.61Å; T341-R343 PolarHBondContact O-N 3.35Å
344L82.2Confident67.4Low36 Ų3688.1 Ų88.119%0.18849%0.49CS..  trans-66.7143171.5-66.4170.8000110.2P342 D348 F349 L368 L676P342-L344 PolarHBondContact O-N 3.15Å; L344-D348 VanDerWaalsContact CA-OD2 3.31Å; L344-D348 WeakPolarHBondContact CA-OD2 3.2Å; L344-D348 HydrophobicContact CD2-CB 3.95Å; L344-F349 HydrophobicContact CB-CE2 4.3Å; L344-F349 HydrophobicContact CD1-CZ 4.25Å; L344-L368 HydrophobicContact CD1-CD1 4.47Å; L344-L368 HydrophobicContact CD2-CD1 4.11Å; L344-L676 HydrophobicContact CD1-CD2 3.27Å; L344-L676 HydrophobicContact CD1-CG 4.14Å
345G86.6Confident70Confident20 Ų2082.1 Ų82.121%0.20645%0.453CS..  trans-131.7-177.2174.700000111.9S347 D348 F349G345-S347 PolarHBondContact O-N 3.36Å; G345-D348 PolarHBondContact N-OD2 2.76Å; G345-D348 WeakPolarHBondContact O-CB 3.38Å; G345-D348 PolarHBondContact O-N 3.33Å; G345-D348 VanDerWaalsContact O-N 3.09Å; G345-F349 WeakPolarHBondContact O-CD2 3.02Å
346I89.3Confident72.5Confident62 Ų6276.4 Ų76.432%0.31842%0.42SS..G310 helixtrans-59.1-34.4-176.4-171.5168.7000113.4D348 F349 F351 F417 F424 L650I346-D348 PolarHBondContact O-N 3.34Å; I346-F349 PolarHBondContact O-N 3.2Å; I346-F351 HydrophobicContact CD1-CE2 4.26Å; I346-F351 HydrophobicContact CG1-CE2 4.1Å; I346-F351 HydrophobicContact CG1-CZ 4.48Å; I346-F417 HydrophobicContact CB-CE2 4.03Å; I346-F417 HydrophobicContact CB-CZ 4.47Å; I346-F424 HydrophobicContact CD1-CE1 4.1Å; I346-F424 HydrophobicContact CD1-CZ 3.93Å; I346-L650 HydrophobicContact CD1-CD1 3.45Å; I346-L650 VanDerWaalsContact CD1-CD1 3.45Å
347S89.6Confident74.7Confident95 Ų9572 Ų7266%0.66440%0.398SS*.G310 helixtrans-66.7-15.8-179.8500000113.8G345 F349 N369G345-S347 PolarHBondContact O-N 3.36Å; S347-F349 VanDerWaalsContact C-N 3.27Å; S347-N369 PolarHBondContact O-ND2 3.01Å
348D90.8Very high76.2Confident55 Ų5569.7 Ų69.729%0.29438%0.384SS..G310 helixtrans-83.3-7.5179.1-55.9-44.8000112L344 G345 I346 L368 N369L344-D348 VanDerWaalsContact CA-OD2 3.31Å; L344-D348 WeakPolarHBondContact CA-OD2 3.2Å; L344-D348 HydrophobicContact CD2-CB 3.95Å; G345-D348 PolarHBondContact N-OD2 2.76Å; G345-D348 WeakPolarHBondContact O-CB 3.38Å; G345-D348 PolarHBondContact O-N 3.33Å; G345-D348 VanDerWaalsContact O-N 3.09Å; I346-D348 PolarHBondContact O-N 3.34Å; D348-L368 HydrophobicContact CB-CD1 4.15Å; D348-L368 CarbonylContact O-C 3.49Å; D348-L368 WeakPolarHBondContact O-CD1 3.4Å; D348-N369 WeakPolarHBondContact O-CB 3.37Å; D348-N369 VanDerWaalsContact O-CG 3.3Å; D348-N369 PolarHBondContact O-N 2.85Å; D348-N369 PolarHBondContact O-ND2 2.99Å
349F93Very high77.1Confident11 Ų1164.4 Ų64.45%0.04837%0.366CS..EExtended strand (participates in β ladder)trans-119.6142-177.7-63-86.7000112.3L344 G345 I346 S347 A366 K367 L368 F375 I377 F417 V426L344-F349 HydrophobicContact CB-CE2 4.3Å; L344-F349 HydrophobicContact CD1-CZ 4.25Å; G345-F349 WeakPolarHBondContact O-CD2 3.02Å; I346-F349 PolarHBondContact O-N 3.2Å; S347-F349 VanDerWaalsContact C-N 3.27Å; F349-A366 HydrophobicContact CB-CB 4.3Å; F349-A366 HydrophobicContact CD1-CB 4.43Å; F349-K367 CarbonylContact C-O 3.58Å; F349-K367 WeakPolarHBondContact CA-O 3.19Å; F349-L368 HydrophobicContact CD1-CB 4.33Å; F349-L368 HydrophobicContact CD1-CD1 4.15Å; F349-L368 HydrophobicContact CE1-CB 4.17Å; F349-L368 HydrophobicContact CE1-CD1 3.74Å; F349-L368 HydrophobicContact CE2-CD1 4.38Å; F349-L368 HydrophobicContact CZ-CD1 3.86Å; F349-F375 HydrophobicContact CE1-CD2 4.04Å; F349-F375 HydrophobicContact CE1-CE2 4.46Å; F349-I377 HydrophobicContact CB-CD1 4.07Å; F349-I377 HydrophobicContact CD1-CD1 3.64Å; F349-I377 HydrophobicContact CD2-CD1 4.18Å; F349-I377 HydrophobicContact CE1-CD1 4.06Å; F349-I377 HydrophobicContact CG-CD1 3.69Å; F349-F417 HydrophobicContact CD2-CE1 4.22Å; F349-F417 HydrophobicContact CD2-CZ 4.35Å; F349-F417 AromaticContact CE2-CE1 3.83Å; F349-F417 HydrophobicContact CE2-CE1 3.83Å; F349-F417 HydrophobicContact CE2-CZ 4.39Å; F349-V426 HydrophobicContact CE1-CG1 4.02Å; F349-V426 HydrophobicContact CE2-CG2 4.26Å; F349-V426 HydrophobicContact CZ-CG1 3.97Å; F349-V426 HydrophobicContact CZ-CG2 3.94Å
350T94.6Very high78.2Confident67 Ų6759.6 Ų59.641%0.41133%0.332SS..EExtended strand (participates in β ladder)trans-106.4116.4167.7-64.80000109.1L352 A366 K367 N369T350-L352 HydrophobicContact CG2-CD2 4.14Å; T350-A366 CarbonylContact O-C 3.25Å; T350-A366 VanDerWaalsContact O-CA 3.24Å; T350-A366 WeakPolarHBondContact O-CA 3.42Å; T350-K367 PolarHBondContact N-O 3.38Å; T350-K367 PolarHBondContact O-N 3.46Å; T350-N369 PolarHBondContact N-OD1 3.31Å; T350-N369 PolarHBondContact OG1-OD1 2.87Å
351F95Very high79.8Confident37 Ų3753.8 Ų53.816%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-75.3127.9176-62.9-74.7000110.7I346 M364 A366 I377 F424 P648I346-F351 HydrophobicContact CD1-CE2 4.26Å; I346-F351 HydrophobicContact CG1-CE2 4.1Å; I346-F351 HydrophobicContact CG1-CZ 4.48Å; F351-M364 HydrophobicContact CB-SD 4.5Å; F351-M364 HydrophobicContact CD1-CB 3.77Å; F351-M364 HydrophobicContact CD1-CE 3.42Å; F351-M364 VanDerWaalsContact CD1-CE 3.42Å; F351-M364 HydrophobicContact CD1-CG 4.46Å; F351-M364 HydrophobicContact CD1-SD 3.94Å; F351-M364 HydrophobicContact CD2-CE 4.41Å; F351-M364 HydrophobicContact CE1-CB 4.32Å; F351-M364 HydrophobicContact CE1-CE 3.33Å; F351-M364 HydrophobicContact CE1-SD 4.44Å; F351-M364 HydrophobicContact CE2-CE 4.33Å; F351-M364 HydrophobicContact CG-CE 3.99Å; F351-M364 HydrophobicContact CG-SD 4.24Å; F351-M364 HydrophobicContact CZ-CE 3.83Å; F351-A366 HydrophobicContact CD1-CB 3.83Å; F351-A366 HydrophobicContact CE1-CB 4.16Å; F351-I377 HydrophobicContact CE1-CB 4.15Å; F351-I377 HydrophobicContact CE1-CD1 4.07Å; F351-I377 HydrophobicContact CE1-CG2 4.22Å; F351-F424 HydrophobicContact CZ-CE1 4.39Å; F351-P648 HydrophobicContact CB-CB 4.08Å
352L93.4Very high81.5Confident57 Ų5751.2 Ų51.230%0.29829%0.293SS..EExtended strand (participates in β ladder)trans-103.5-45-175.1-58.4-178.3000112T350 L365 K367 V374 P648T350-L352 HydrophobicContact CG2-CD2 4.14Å; L352-L365 HydrophobicContact CB-CB 4.47Å; L352-L365 HydrophobicContact CB-CD2 4.22Å; L352-L365 HydrophobicContact CB-CG 4.19Å; L352-L365 HydrophobicContact CD1-CD2 4.2Å; L352-L365 HydrophobicContact CD1-CG 4.2Å; L352-L365 PolarHBondContact N-O 3.11Å; L352-K367 HydrophobicContact CD1-CB 4.14Å; L352-K367 HydrophobicContact CG-CB 4.45Å; L352-V374 HydrophobicContact CD1-CG1 4.36Å; L352-P648 WeakPolarHBondContact O-CG 3.39Å
353Q94Very high83.2Confident53 Ų5349.1 Ų49.125%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-157.4150.7-171.5-153.9145.916.900112.5M364 L365 T644Q353-M364 CarbonylContact O-C 3.6Å; Q353-M364 VanDerWaalsContact O-CA 3.23Å; Q353-M364 WeakPolarHBondContact O-CA 3.47Å; Q353-L365 HydrophobicContact CB-CB 4.26Å; Q353-L365 PolarHBondContact N-O 3.18Å; Q353-L365 PolarHBondContact O-N 3.19Å; Q353-T644 HydrophobicContact CG-CG2 4.33Å; Q353-T644 WeakPolarHBondContact CG-O 3.47Å; Q353-T644 PolarHBondContact NE2-O 3.1Å
354V92Very high84.4Confident0 Ų040.6 Ų40.60%025%0.246CC..EExtended strand (participates in β ladder)trans-83.2124.2170.2-176.20000108.7K362 M364 F643 T644 E646V354-K362 HydrophobicContact CG1-CD 4.49Å; V354-M364 HydrophobicContact CG2-CG 4.33Å; V354-F643 WeakPolarHBondContact CB-O 3.34Å; V354-F643 HydrophobicContact CG1-CB 4.44Å; V354-F643 CarbonylContact O-C 3.48Å; V354-T644 WeakPolarHBondContact O-CA 3.25Å; V354-T644 PolarHBondContact O-N 3.4Å; V354-E646 HydrophobicContact CB-CB 4.29Å; V354-E646 HydrophobicContact CG2-CB 4.03Å
355L88.8Confident85Confident12 Ų1239 Ų396%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-95-29.8180-62.3176.6000112.1V363 L365 A376 F429 V636 F639L355-V363 HydrophobicContact CB-CG1 4.31Å; L355-V363 HydrophobicContact CD1-CG1 4.38Å; L355-V363 PolarHBondContact N-O 3.25Å; L355-L365 HydrophobicContact CD1-CB 3.99Å; L355-L365 HydrophobicContact CD2-CB 4.03Å; L355-L365 HydrophobicContact CG-CB 3.99Å; L355-A376 HydrophobicContact CD1-CB 4.21Å; L355-F429 HydrophobicContact CD1-CD2 3.75Å; L355-F429 HydrophobicContact CD1-CE2 3.53Å; L355-F429 HydrophobicContact CD2-CE2 3.87Å; L355-F429 HydrophobicContact CD2-CZ 4.41Å; L355-F429 HydrophobicContact CG-CE2 4.36Å; L355-V636 HydrophobicContact CD2-CG1 3.66Å; L355-F639 HydrophobicContact CB-CD1 4.1Å; L355-F639 HydrophobicContact CB-CE1 4.06Å; L355-F639 HydrophobicContact CD1-CE1 4.41Å; L355-F639 HydrophobicContact CD2-CD1 3.98Å; L355-F639 HydrophobicContact CD2-CD2 4.23Å; L355-F639 HydrophobicContact CD2-CE1 3.93Å; L355-F639 HydrophobicContact CD2-CE2 4.16Å; L355-F639 HydrophobicContact CD2-CG 4.13Å; L355-F639 HydrophobicContact CD2-CZ 4.01Å; L355-F639 HydrophobicContact CG-CE1 4.35Å
356G83.6Confident85.5Confident13 Ų1338 Ų3813%0.13423%0.228CC..EExtended strand (participates in β ladder)trans-173.6168.3179.800000112.9V363G356-V363 PolarHBondContact N-O 2.97Å; G356-V363 PolarHBondContact O-N 3.09Å
357K77.3Confident85.7Confident102 Ų10237.3 Ų37.344%0.44322%0.222SC..EExtended strand (participates in β ladder)trans-130.2136.3176-70-177.6169.6170.50110K362 F643 E646K357-K362 HydrophobicContact CG-CG 4.26Å; K357-F643 HydrophobicContact CB-CE1 4.35Å; K357-F643 HydrophobicContact CG-CD1 4.38Å; K357-F643 HydrophobicContact CG-CE1 4.46Å; K357-E646 VanDerWaalsContact CE-CD 3.43Å; K357-E646 WeakPolarHBondContact CE-OE1 3.34Å; K357-E646 WeakPolarHBondContact CE-OE2 3.49Å; K357-E646 IonicContact NZ-OE1 2.74Å; K357-E646 PolarHBondContact NZ-OE1 2.62Å; K357-E646 IonicContact NZ-OE2 3.56Å; K357-E646 PolarHBondContact NZ-OE2 2.6Å
358G61.3Low85.8Confident53 Ų5333 Ų3355%0.54619%0.192SC..EExtended strand (participates in β ladder)trans-125.5-178.4174.600000112F360 G361G358-F360 PolarHBondContact O-N 3.39Å; G358-G361 PolarHBondContact N-O 3.07Å; G358-G361 PolarHBondContact O-N 2.85Å
359S53Low85.8Confident59 Ų5934.7 Ų34.741%0.41320%0.201SC..THydrogen-bonded Turntrans-56.5-31.8-178.247.20000114.1
360F58.3Low85.3Confident26 Ų2638.6 Ų38.611%0.11423%0.23CC..THydrogen-bonded Turntrans-103.5-11.4-173.4-63.7-97.1000115.1W190 G358 L380 K381 I385 D390W190-F360 HydrophobicContact CE3-CD1 4.41Å; W190-F360 AromaticContact CH2-CD1 3.33Å; W190-F360 HydrophobicContact CH2-CD1 3.33Å; W190-F360 AromaticContact CH2-CD2 3.89Å; W190-F360 HydrophobicContact CH2-CD2 3.89Å; W190-F360 AromaticContact CH2-CE1 2.78Å; W190-F360 HydrophobicContact CH2-CE1 2.78Å; W190-F360 AromaticContact CH2-CE2 3.29Å; W190-F360 HydrophobicContact CH2-CE2 3.29Å; W190-F360 AromaticContact CH2-CG 3.91Å; W190-F360 HydrophobicContact CH2-CG 3.91Å; W190-F360 AromaticContact CH2-CZ 2.74Å; W190-F360 HydrophobicContact CH2-CZ 2.74Å; W190-F360 HydrophobicContact CZ2-CD1 4.38Å; W190-F360 HydrophobicContact CZ2-CD2 4.23Å; W190-F360 AromaticContact CZ2-CE1 3.69Å; W190-F360 HydrophobicContact CZ2-CE1 3.69Å; W190-F360 AromaticContact CZ2-CE2 3.36Å; W190-F360 HydrophobicContact CZ2-CE2 3.36Å; W190-F360 AromaticContact CZ2-CZ 3.1Å; W190-F360 HydrophobicContact CZ2-CZ 3.1Å; W190-F360 AromaticContact CZ3-CD1 3.23Å; W190-F360 HydrophobicContact CZ3-CD1 3.23Å; W190-F360 AromaticContact CZ3-CD2 4Å; W190-F360 HydrophobicContact CZ3-CD2 4Å; W190-F360 AromaticContact CZ3-CE1 3.26Å; W190-F360 HydrophobicContact CZ3-CE1 3.26Å; W190-F360 AromaticContact CZ3-CE2 3.88Å; W190-F360 HydrophobicContact CZ3-CE2 3.88Å; W190-F360 AromaticContact CZ3-CG 3.71Å; W190-F360 HydrophobicContact CZ3-CG 3.71Å; W190-F360 AromaticContact CZ3-CZ 3.58Å; W190-F360 HydrophobicContact CZ3-CZ 3.58Å; G358-F360 PolarHBondContact O-N 3.39Å; F360-L380 HydrophobicContact CB-CB 4.39Å; F360-L380 HydrophobicContact CB-CD2 3.38Å; F360-L380 HydrophobicContact CB-CG 4.36Å; F360-L380 HydrophobicContact CG-CD2 4.26Å; F360-K381 PolarHBondContact O-N 3.07Å; F360-I385 HydrophobicContact CD1-CG1 3.77Å; F360-I385 HydrophobicContact CE1-CG1 4.03Å; F360-D390 HydrophobicContact CE1-CB 3.65Å; F360-D390 HydrophobicContact CZ-CB 3.87Å
361G75.6Confident84.7Confident24 Ų2438.4 Ų38.425%0.24722%0.223CC..EExtended strand (participates in β ladder)trans160.4-154.3-172.200000115.6G358 V379G358-G361 PolarHBondContact N-O 3.07Å; G358-G361 PolarHBondContact O-N 2.85Å; G361-V379 VanDerWaalsContact CA-O 3.28Å; G361-V379 WeakPolarHBondContact CA-O 3.16Å
362K87.6Confident84Confident32 Ų3243.1 Ų43.114%0.13925%0.25CS..EExtended strand (participates in β ladder)trans-121.2146.5-169.9-57.4-166.9-175.1-179.20111V354 K357 M364 V379 E646 T649 T651V354-K362 HydrophobicContact CG1-CD 4.49Å; K357-K362 HydrophobicContact CG-CG 4.26Å; K362-M364 HydrophobicContact CB-CG 4.37Å; K362-V379 PolarHBondContact N-O 3.48Å; K362-V379 VanDerWaalsContact N-O 3.12Å; K362-V379 PolarHBondContact O-N 3.04Å; K362-E646 IonicContact NZ-OE2 3.19Å; K362-T649 PolarHBondContact NZ-O 3.46Å; K362-T651 WeakPolarHBondContact CE-OG1 3.28Å
363V91.5Very high83.8Confident39 Ų3944 Ų4424%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-103.1125.4165.9-173.40000107.6L355 G356 A376 I377 K378L355-V363 HydrophobicContact CB-CG1 4.31Å; L355-V363 HydrophobicContact CD1-CG1 4.38Å; L355-V363 PolarHBondContact N-O 3.25Å; G356-V363 PolarHBondContact N-O 2.97Å; G356-V363 PolarHBondContact O-N 3.09Å; V363-A376 HydrophobicContact CG1-CB 4.29Å; V363-I377 WeakPolarHBondContact CA-O 3.31Å; V363-K378 HydrophobicContact CG2-CB 4.18Å; V363-K378 HydrophobicContact CG2-CG 4.15Å
364M94.8Very high83.8Confident0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-125.6140.6-177.8-62.4-176-71.300110.8F351 Q353 V354 K362 I377 V379 L650F351-M364 HydrophobicContact CB-SD 4.5Å; F351-M364 HydrophobicContact CD1-CB 3.77Å; F351-M364 HydrophobicContact CD1-CE 3.42Å; F351-M364 VanDerWaalsContact CD1-CE 3.42Å; F351-M364 HydrophobicContact CD1-CG 4.46Å; F351-M364 HydrophobicContact CD1-SD 3.94Å; F351-M364 HydrophobicContact CD2-CE 4.41Å; F351-M364 HydrophobicContact CE1-CB 4.32Å; F351-M364 HydrophobicContact CE1-CE 3.33Å; F351-M364 HydrophobicContact CE1-SD 4.44Å; F351-M364 HydrophobicContact CE2-CE 4.33Å; F351-M364 HydrophobicContact CG-CE 3.99Å; F351-M364 HydrophobicContact CG-SD 4.24Å; F351-M364 HydrophobicContact CZ-CE 3.83Å; Q353-M364 CarbonylContact O-C 3.6Å; Q353-M364 VanDerWaalsContact O-CA 3.23Å; Q353-M364 WeakPolarHBondContact O-CA 3.47Å; V354-M364 HydrophobicContact CG2-CG 4.33Å; K362-M364 HydrophobicContact CB-CG 4.37Å; M364-I377 PolarHBondContact N-O 3.45Å; M364-I377 PolarHBondContact O-N 3.19Å; M364-V379 HydrophobicContact CE-CB 4.48Å; M364-V379 HydrophobicContact CE-CG2 3.56Å; M364-L650 HydrophobicContact CE-CD2 3.49Å; M364-L650 VanDerWaalsContact CE-CD2 3.49Å
365L95.9Very high83.9Confident1 Ų142 Ų421%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-69.4128.7164.7-179.661.8000108.2L352 Q353 L355 V374 F429 V636L352-L365 HydrophobicContact CB-CB 4.47Å; L352-L365 HydrophobicContact CB-CD2 4.22Å; L352-L365 HydrophobicContact CB-CG 4.19Å; L352-L365 HydrophobicContact CD1-CD2 4.2Å; L352-L365 HydrophobicContact CD1-CG 4.2Å; L352-L365 PolarHBondContact N-O 3.11Å; Q353-L365 HydrophobicContact CB-CB 4.26Å; Q353-L365 PolarHBondContact N-O 3.18Å; Q353-L365 PolarHBondContact O-N 3.19Å; L355-L365 HydrophobicContact CD1-CB 3.99Å; L355-L365 HydrophobicContact CD2-CB 4.03Å; L355-L365 HydrophobicContact CG-CB 3.99Å; L365-V374 HydrophobicContact CD1-CB 3.9Å; L365-V374 HydrophobicContact CD1-CG1 4.41Å; L365-V374 HydrophobicContact CD1-CG2 4.37Å; L365-F429 HydrophobicContact CD1-CB 4.41Å; L365-F429 HydrophobicContact CD1-CD1 3.66Å; L365-F429 HydrophobicContact CD1-CD2 3.75Å; L365-F429 HydrophobicContact CD1-CE1 3.71Å; L365-F429 HydrophobicContact CD1-CE2 3.85Å; L365-F429 HydrophobicContact CD1-CG 3.66Å; L365-F429 HydrophobicContact CD1-CZ 3.83Å; L365-F429 HydrophobicContact CD2-CE1 4.44Å; L365-F429 HydrophobicContact CD2-CZ 4.29Å; L365-V636 HydrophobicContact CD2-CG1 3.96Å
366A95.9Very high84.2Confident0 Ų041.9 Ų41.90%025%0.245CC..EExtended strand (participates in β ladder)trans-138.2150.5177.400000111.4F349 T350 F351 V374 F375 I377F349-A366 HydrophobicContact CB-CB 4.3Å; F349-A366 HydrophobicContact CD1-CB 4.43Å; T350-A366 CarbonylContact O-C 3.25Å; T350-A366 VanDerWaalsContact O-CA 3.24Å; T350-A366 WeakPolarHBondContact O-CA 3.42Å; F351-A366 HydrophobicContact CD1-CB 3.83Å; F351-A366 HydrophobicContact CE1-CB 4.16Å; A366-V374 CarbonylContact O-C 3.5Å; A366-V374 WeakPolarHBondContact O-CA 3.33Å; A366-F375 PolarHBondContact N-O 3.37Å; A366-F375 PolarHBondContact O-N 2.9Å; A366-I377 HydrophobicContact CB-CD1 3.43Å; A366-I377 VanDerWaalsContact CB-CD1 3.43Å; A366-I377 HydrophobicContact CB-CG1 3.84Å
367K94.4Very high84.8Confident47 Ų4741.2 Ų41.220%0.20424%0.238CC..EExtended strand (participates in β ladder)trans-109.9134.5177.2-170.4170.6-168.91520109.8F349 T350 L352 N369 D372 V374 E634F349-K367 CarbonylContact C-O 3.58Å; F349-K367 WeakPolarHBondContact CA-O 3.19Å; T350-K367 PolarHBondContact N-O 3.38Å; T350-K367 PolarHBondContact O-N 3.46Å; L352-K367 HydrophobicContact CD1-CB 4.14Å; L352-K367 HydrophobicContact CG-CB 4.45Å; K367-N369 PolarHBondContact O-N 3.46Å; K367-D372 WeakPolarHBondContact CE-OD1 3.14Å; K367-D372 IonicContact NZ-OD1 2.6Å; K367-D372 PolarHBondContact NZ-OD1 2.79Å; K367-V374 HydrophobicContact CB-CG1 4.34Å; K367-V374 HydrophobicContact CG-CG1 4.4Å; K367-E634 IonicContact NZ-OE1 2.61Å; K367-E634 PolarHBondContact NZ-OE1 3.13Å
368L91.6Very high85.6Confident5 Ų537.5 Ų37.53%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-75.3123.2175.6-179.568.1000109.5L344 D348 F349 S370 K371 H373 F375L344-L368 HydrophobicContact CD1-CD1 4.47Å; L344-L368 HydrophobicContact CD2-CD1 4.11Å; D348-L368 HydrophobicContact CB-CD1 4.15Å; D348-L368 CarbonylContact O-C 3.49Å; D348-L368 WeakPolarHBondContact O-CD1 3.4Å; F349-L368 HydrophobicContact CD1-CB 4.33Å; F349-L368 HydrophobicContact CD1-CD1 4.15Å; F349-L368 HydrophobicContact CE1-CB 4.17Å; F349-L368 HydrophobicContact CE1-CD1 3.74Å; F349-L368 HydrophobicContact CE2-CD1 4.38Å; F349-L368 HydrophobicContact CZ-CD1 3.86Å; L368-S370 WeakPolarHBondContact CG-OG 3.39Å; L368-S370 PolarHBondContact O-N 2.69Å; L368-S370 VanDerWaalsContact O-N 3.07Å; L368-K371 HydrophobicContact CD2-CB 4.2Å; L368-K371 HydrophobicContact CD2-CD 4.01Å; L368-K371 HydrophobicContact CD2-CG 4.19Å; L368-K371 CarbonylContact O-C 3.57Å; L368-K371 PolarHBondContact O-N 2.78Å; L368-H373 PolarHBondContact N-O 3.18Å; L368-H373 VanDerWaalsContact N-O 3.16Å; L368-F375 HydrophobicContact CB-CD2 4.27Å; L368-F375 HydrophobicContact CB-CE2 3.73Å; L368-F375 HydrophobicContact CD2-CE2 4.35Å
369N89.2Confident87.1Confident90 Ų9035.2 Ų35.248%0.48120%0.197SC..THydrogen-bonded Turntrans-62-26.7-171.1-67.7-20.7000113.7S347 D348 T350 K367S347-N369 PolarHBondContact O-ND2 3.01Å; D348-N369 WeakPolarHBondContact O-CB 3.37Å; D348-N369 VanDerWaalsContact O-CG 3.3Å; D348-N369 PolarHBondContact O-N 2.85Å; D348-N369 PolarHBondContact O-ND2 2.99Å; T350-N369 PolarHBondContact N-OD1 3.31Å; T350-N369 PolarHBondContact OG1-OD1 2.87Å; K367-N369 PolarHBondContact O-N 3.46Å
370S84.4Confident88.9Confident93 Ų9332.5 Ų32.565%0.6518%0.178SC*.THydrogen-bonded Turntrans-82.3-17178.459.70000114.4L368L368-S370 WeakPolarHBondContact CG-OG 3.39Å; L368-S370 PolarHBondContact O-N 2.69Å; L368-S370 VanDerWaalsContact O-N 3.07Å
371K80.2Confident90.4Very high63 Ų6333.2 Ų33.227%0.27418%0.181SC..SBendtrans-142.3147.7-170.9-61.7178.7-171.7166.40110.7L368 H373 L676 I679L368-K371 HydrophobicContact CD2-CB 4.2Å; L368-K371 HydrophobicContact CD2-CD 4.01Å; L368-K371 HydrophobicContact CD2-CG 4.19Å; L368-K371 CarbonylContact O-C 3.57Å; L368-K371 PolarHBondContact O-N 2.78Å; K371-H373 PolarHBondContact O-N 3.32Å; K371-L676 PolarHBondContact NZ-O 3.12Å; K371-I679 WeakPolarHBondContact CD-OXT 3.32Å; K371-I679 WeakPolarHBondContact CE-OXT 3.3Å; K371-I679 PolarHBondContact NZ-OXT 2.62Å
372D81.2Confident91Very high136 Ų13632.1 Ų32.173%0.72717%0.17SC*.SBendtrans-75.428.1178.9-154.442.2000113.7K367K367-D372 WeakPolarHBondContact CE-OD1 3.14Å; K367-D372 IonicContact NZ-OD1 2.6Å; K367-D372 PolarHBondContact NZ-OD1 2.79Å
373H88.6Confident90.6Very high75 Ų7532.3 Ų32.335%0.34717%0.172SC..  trans-103.6141.2-175-157.584.6000111.5L368 K371 F375L368-H373 PolarHBondContact N-O 3.18Å; L368-H373 VanDerWaalsContact N-O 3.16Å; K371-H373 PolarHBondContact O-N 3.32Å; H373-F375 HydrophobicContact CB-CE2 4.1Å; H373-F375 HydrophobicContact CB-CZ 4.34Å; H373-F375 AromaticContact CD2-CE1 3.74Å; H373-F375 AromaticContact CD2-CE2 3.69Å; H373-F375 AromaticContact CD2-CZ 3.39Å; H373-F375 WeakPolarHBondContact CD2-CZ 3.47Å
374V93.8Very high89.9Confident11 Ų1132.1 Ų32.17%0.06717%0.17CC..EExtended strand (participates in β ladder)trans-109.6150-178.2-68.90000112.6L352 L365 A366 K367 F429 P633 E634L352-V374 HydrophobicContact CD1-CG1 4.36Å; L365-V374 HydrophobicContact CD1-CB 3.9Å; L365-V374 HydrophobicContact CD1-CG1 4.41Å; L365-V374 HydrophobicContact CD1-CG2 4.37Å; A366-V374 CarbonylContact O-C 3.5Å; A366-V374 WeakPolarHBondContact O-CA 3.33Å; K367-V374 HydrophobicContact CB-CG1 4.34Å; K367-V374 HydrophobicContact CG-CG1 4.4Å; V374-F429 HydrophobicContact CG2-CB 4.39Å; V374-F429 HydrophobicContact CG2-CD1 3.74Å; V374-F429 HydrophobicContact CG2-CG 4.45Å; V374-P633 HydrophobicContact CG2-CB 4.44Å; V374-E634 HydrophobicContact CG1-CG 3.91Å
375F95.1Very high89.1Confident1 Ų132.1 Ų32.10%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-137.3154.3-174.3-60.9-87.2000110.4F349 A366 L368 H373 I377 Y414 V426 L676F349-F375 HydrophobicContact CE1-CD2 4.04Å; F349-F375 HydrophobicContact CE1-CE2 4.46Å; A366-F375 PolarHBondContact N-O 3.37Å; A366-F375 PolarHBondContact O-N 2.9Å; L368-F375 HydrophobicContact CB-CD2 4.27Å; L368-F375 HydrophobicContact CB-CE2 3.73Å; L368-F375 HydrophobicContact CD2-CE2 4.35Å; H373-F375 HydrophobicContact CB-CE2 4.1Å; H373-F375 HydrophobicContact CB-CZ 4.34Å; H373-F375 AromaticContact CD2-CE1 3.74Å; H373-F375 AromaticContact CD2-CE2 3.69Å; H373-F375 AromaticContact CD2-CZ 3.39Å; H373-F375 WeakPolarHBondContact CD2-CZ 3.47Å; F375-I377 HydrophobicContact CB-CG1 4.43Å; F375-Y414 AromaticContact CD1-CD2 3.72Å; F375-Y414 HydrophobicContact CD1-CD2 3.72Å; F375-Y414 HydrophobicContact CD1-CE2 4.05Å; F375-Y414 HydrophobicContact CD1-CG 4.33Å; F375-Y414 HydrophobicContact CE1-CD1 4.41Å; F375-Y414 AromaticContact CE1-CD2 3.68Å; F375-Y414 HydrophobicContact CE1-CD2 3.68Å; F375-Y414 AromaticContact CE1-CE2 3.93Å; F375-Y414 HydrophobicContact CE1-CE2 3.93Å; F375-Y414 AromaticContact CE1-CG 3.93Å; F375-Y414 HydrophobicContact CE1-CG 3.93Å; F375-V426 HydrophobicContact CB-CG1 3.83Å; F375-V426 HydrophobicContact CD1-CG1 3.73Å; F375-V426 HydrophobicContact CE1-CG1 4.45Å; F375-V426 HydrophobicContact CG-CG1 3.79Å; F375-L676 HydrophobicContact CE1-CD1 3.64Å; F375-L676 HydrophobicContact CZ-CD1 3.48Å; F375-L676 VanDerWaalsContact CZ-CD1 3.48Å
376A95.4Very high88.1Confident9 Ų934.5 Ų34.57%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-94.6117164.900000108.6L355 V363 M427 F429L355-A376 HydrophobicContact CD1-CB 4.21Å; V363-A376 HydrophobicContact CG1-CB 4.29Å; A376-M427 PolarHBondContact N-O 3.4Å; A376-M427 WeakPolarHBondContact O-CB 3.33Å; A376-M427 PolarHBondContact O-N 3.26Å; A376-F429 HydrophobicContact CB-CD2 4.4Å
377I95.6Very high86.7Confident0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-106.3111.4179.6-55.8-172.5000109.7F349 F351 V363 M364 A366 F375 V379 F424 F425 V426F349-I377 HydrophobicContact CB-CD1 4.07Å; F349-I377 HydrophobicContact CD1-CD1 3.64Å; F349-I377 HydrophobicContact CD2-CD1 4.18Å; F349-I377 HydrophobicContact CE1-CD1 4.06Å; F349-I377 HydrophobicContact CG-CD1 3.69Å; F351-I377 HydrophobicContact CE1-CB 4.15Å; F351-I377 HydrophobicContact CE1-CD1 4.07Å; F351-I377 HydrophobicContact CE1-CG2 4.22Å; V363-I377 WeakPolarHBondContact CA-O 3.31Å; M364-I377 PolarHBondContact N-O 3.45Å; M364-I377 PolarHBondContact O-N 3.19Å; A366-I377 HydrophobicContact CB-CD1 3.43Å; A366-I377 VanDerWaalsContact CB-CD1 3.43Å; A366-I377 HydrophobicContact CB-CG1 3.84Å; F375-I377 HydrophobicContact CB-CG1 4.43Å; I377-V379 HydrophobicContact CG2-CG2 3.93Å; I377-F424 HydrophobicContact CG2-CB 4.35Å; I377-F424 HydrophobicContact CG2-CD1 3.97Å; I377-F425 CarbonylContact C-O 3.58Å; I377-F425 VanDerWaalsContact CA-O 3.26Å; I377-F425 WeakPolarHBondContact CA-O 3.18Å; I377-V426 HydrophobicContact CD1-CG2 4.16Å; I377-V426 HydrophobicContact CG1-CG1 4.37Å; I377-V426 HydrophobicContact CG1-CG2 4.2Å
378K94.3Very high85.2Confident23 Ų2337.4 Ų37.410%0.120%0.197CC..EExtended strand (participates in β ladder)trans-84.5118.1170.7-177.2-178.4-165.1-175.70108.3V363 L380 E397 F424 F425 M427 D491V363-K378 HydrophobicContact CG2-CB 4.18Å; V363-K378 HydrophobicContact CG2-CG 4.15Å; K378-L380 HydrophobicContact CD-CD2 4.27Å; K378-L380 HydrophobicContact CG-CD2 3.92Å; K378-L380 HydrophobicContact CG-CG 4.46Å; K378-E397 IonicContact NZ-OE1 3.68Å; K378-E397 PolarHBondContact NZ-OE1 2.88Å; K378-E397 IonicContact NZ-OE2 3.76Å; K378-E397 PolarHBondContact NZ-OE2 3.03Å; K378-F424 WeakPolarHBondContact O-CA 3.49Å; K378-F425 HydrophobicContact CB-CB 4.22Å; K378-F425 PolarHBondContact N-O 2.93Å; K378-F425 PolarHBondContact O-N 3.31Å; K378-M427 HydrophobicContact CB-CE 3.64Å; K378-D491 IonicContact NZ-OD1 3.83Å; K378-D491 PolarHBondContact NZ-OD1 2.85Å
379V93.5Very high84.2Confident5 Ų543.2 Ų43.23%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-110119-178.4-171.60000109.3G361 K362 M364 I377 R422 L423 F424 L650G361-V379 VanDerWaalsContact CA-O 3.28Å; G361-V379 WeakPolarHBondContact CA-O 3.16Å; K362-V379 PolarHBondContact N-O 3.48Å; K362-V379 VanDerWaalsContact N-O 3.12Å; K362-V379 PolarHBondContact O-N 3.04Å; M364-V379 HydrophobicContact CE-CB 4.48Å; M364-V379 HydrophobicContact CE-CG2 3.56Å; I377-V379 HydrophobicContact CG2-CG2 3.93Å; V379-R422 HydrophobicContact CG1-CB 4.34Å; V379-R422 HydrophobicContact CG1-CG 4.33Å; V379-L423 WeakPolarHBondContact CA-O 3.31Å; V379-F424 HydrophobicContact CB-CD1 4.31Å; V379-F424 HydrophobicContact CB-CE1 4.27Å; V379-F424 HydrophobicContact CG1-CD1 3.98Å; V379-F424 HydrophobicContact CG1-CE1 3.58Å; V379-F424 HydrophobicContact CG1-CZ 3.94Å; V379-F424 HydrophobicContact CG2-CD1 3.65Å; V379-F424 HydrophobicContact CG2-CE1 3.72Å; V379-L650 HydrophobicContact CB-CD2 4.38Å; V379-L650 HydrophobicContact CG1-CD2 3.86Å; V379-L650 HydrophobicContact CG2-CD2 4.17Å
380L90.4Very high83.6Confident3 Ų339 Ų392%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-113.8143.2179.1-47175.9000110.3F360 K378 I385 T394 R422 L423 F425F360-L380 HydrophobicContact CB-CB 4.39Å; F360-L380 HydrophobicContact CB-CD2 3.38Å; F360-L380 HydrophobicContact CB-CG 4.36Å; F360-L380 HydrophobicContact CG-CD2 4.26Å; K378-L380 HydrophobicContact CD-CD2 4.27Å; K378-L380 HydrophobicContact CG-CD2 3.92Å; K378-L380 HydrophobicContact CG-CG 4.46Å; L380-I385 HydrophobicContact CB-CD1 3.71Å; L380-I385 HydrophobicContact CB-CG1 4.46Å; L380-I385 HydrophobicContact CD1-CD1 4.12Å; L380-T394 HydrophobicContact CD1-CG2 3.93Å; L380-R422 CarbonylContact O-C 3.46Å; L380-R422 WeakPolarHBondContact O-CA 3.21Å; L380-R422 VanDerWaalsContact O-CB 3.31Å; L380-R422 WeakPolarHBondContact O-CB 3.44Å; L380-L423 HydrophobicContact CB-CB 4.39Å; L380-L423 PolarHBondContact N-O 3.42Å; L380-L423 PolarHBondContact O-N 2.93Å; L380-F425 HydrophobicContact CD1-CD2 4.26Å; L380-F425 HydrophobicContact CD1-CE2 3.58Å; L380-F425 HydrophobicContact CG-CE2 4.36Å
381K88.6Confident83.5Confident40 Ų4035.4 Ų35.417%0.17418%0.18CC..EExtended strand (participates in β ladder)trans-90.4130.8175.5-53.3-177.6170.2-174.60110.8F360 D383 I384 I385 I653F360-K381 PolarHBondContact O-N 3.07Å; K381-D383 WeakPolarHBondContact CB-OD1 3.37Å; K381-D383 PolarHBondContact O-N 2.99Å; K381-I384 HydrophobicContact CB-CB 4.3Å; K381-I384 HydrophobicContact CB-CG1 3.93Å; K381-I384 HydrophobicContact CD-CG1 4.09Å; K381-I384 PolarHBondContact O-N 2.6Å; K381-I385 WeakPolarHBondContact O-CG1 3.5Å; K381-I385 PolarHBondContact O-N 3.27Å; K381-I385 VanDerWaalsContact O-N 3.12Å; K381-I653 HydrophobicContact CB-CD1 4.24Å; K381-I653 HydrophobicContact CD-CD1 4Å; K381-I653 HydrophobicContact CD-CG1 4.22Å; K381-I653 HydrophobicContact CG-CD1 4.04Å
382K88.1Confident83.7Confident1 Ų137.7 Ų37.70%0.00419%0.192CC..Hα-helixtrans-66-36.6-176.9-76.8178.6170.3176.90112.9I385 L386 T419 D421 L423 I661 F666K382-I385 PolarHBondContact O-N 3.42Å; K382-L386 WeakPolarHBondContact O-CB 3.28Å; K382-L386 VanDerWaalsContact O-CG 3.32Å; K382-L386 WeakPolarHBondContact O-CG 3.18Å; K382-L386 PolarHBondContact O-N 3.43Å; K382-T419 WeakPolarHBondContact CE-O 3.32Å; K382-T419 PolarHBondContact NZ-O 2.87Å; K382-D421 WeakPolarHBondContact CB-O 3.47Å; K382-D421 PolarHBondContact N-O 3.32Å; K382-L423 HydrophobicContact CD-CD2 4.39Å; K382-L423 HydrophobicContact CG-CD2 4.15Å; K382-L423 HydrophobicContact CG-CG 4.03Å; K382-I661 HydrophobicContact CB-CD1 4.13Å; K382-I661 HydrophobicContact CB-CG2 4.08Å; K382-I661 HydrophobicContact CD-CG2 4.19Å; K382-F666 HydrophobicContact CB-CE2 4Å; K382-F666 HydrophobicContact CB-CZ 4.3Å; K382-F666 HydrophobicContact CD-CD2 3.87Å; K382-F666 HydrophobicContact CD-CE2 4.02Å; K382-F666 HydrophobicContact CG-CD2 4.09Å; K382-F666 HydrophobicContact CG-CE2 3.82Å; K382-F666 HydrophobicContact CG-CZ 4.13Å
383D80.3Confident83.8Confident37 Ų3732.7 Ų32.720%0.19817%0.167CC..Hα-helixtrans-62.4-42.5177.363.9-28.9000111.8K381 Q387 V657 I661K381-D383 WeakPolarHBondContact CB-OD1 3.37Å; K381-D383 PolarHBondContact O-N 2.99Å; D383-Q387 WeakPolarHBondContact O-CB 3.28Å; D383-Q387 PolarHBondContact O-N 3.35Å; D383-V657 HydrophobicContact CB-CG1 3.57Å; D383-I661 HydrophobicContact CB-CD1 4.33Å
384I76.8Confident83.7Confident35 Ų3529.1 Ų29.118%0.17915%0.15CC..Hα-helixtrans-64.6-47.4175-57.7-56.8000110.5W190 K381 L386 Q387 D388W190-I384 HydrophobicContact CZ3-CG2 4.35Å; K381-I384 HydrophobicContact CB-CB 4.3Å; K381-I384 HydrophobicContact CB-CG1 3.93Å; K381-I384 HydrophobicContact CD-CG1 4.09Å; K381-I384 PolarHBondContact O-N 2.6Å; I384-L386 PolarHBondContact O-N 3.08Å; I384-Q387 PolarHBondContact O-N 3.13Å; I384-D388 PolarHBondContact O-N 3.06Å
385I78.4Confident83.4Confident0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-58.6-46.9178.3-65.1161.4000111.6F360 L380 K381 K382 Q387 D388 D389 D390 V391 T394 L423 F666F360-I385 HydrophobicContact CD1-CG1 3.77Å; F360-I385 HydrophobicContact CE1-CG1 4.03Å; L380-I385 HydrophobicContact CB-CD1 3.71Å; L380-I385 HydrophobicContact CB-CG1 4.46Å; L380-I385 HydrophobicContact CD1-CD1 4.12Å; K381-I385 WeakPolarHBondContact O-CG1 3.5Å; K381-I385 PolarHBondContact O-N 3.27Å; K381-I385 VanDerWaalsContact O-N 3.12Å; K382-I385 PolarHBondContact O-N 3.42Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-D388 PolarHBondContact O-N 3.02Å; I385-D389 PolarHBondContact O-N 3.17Å; I385-D390 PolarHBondContact O-N 2.93Å; I385-V391 HydrophobicContact CG2-CB 4.47Å; I385-V391 HydrophobicContact CG2-CG2 3.99Å; I385-T394 HydrophobicContact CD1-CG2 4.24Å; I385-L423 HydrophobicContact CD1-CD1 3.56Å; I385-L423 HydrophobicContact CD1-CG 4.22Å; I385-F666 HydrophobicContact CB-CZ 4.36Å; I385-F666 HydrophobicContact CG2-CE1 4.03Å; I385-F666 HydrophobicContact CG2-CZ 4.07Å
386L73.9Confident83.1Confident51 Ų5130.3 Ų30.327%0.26716%0.156SC..Hα-helixtrans-66.6-36.3178.5-73.1174.8000112.3K382 I384 D388 V391 I661 E665 F666K382-L386 WeakPolarHBondContact O-CB 3.28Å; K382-L386 VanDerWaalsContact O-CG 3.32Å; K382-L386 WeakPolarHBondContact O-CG 3.18Å; K382-L386 PolarHBondContact O-N 3.43Å; I384-L386 PolarHBondContact O-N 3.08Å; L386-D388 VanDerWaalsContact C-N 3.33Å; L386-V391 HydrophobicContact CD2-CG2 3.71Å; L386-I661 HydrophobicContact CD1-CB 4.16Å; L386-I661 HydrophobicContact CD1-CG1 4.3Å; L386-I661 HydrophobicContact CD1-CG2 3.65Å; L386-E665 HydrophobicContact CD2-CB 4.28Å; L386-E665 HydrophobicContact CD2-CG 4.01Å; L386-F666 HydrophobicContact CD1-CE2 4.18Å; L386-F666 HydrophobicContact CD2-CE2 4.04Å; L386-F666 HydrophobicContact CD2-CZ 4.05Å; L386-F666 HydrophobicContact CG-CE2 3.97Å; L386-F666 HydrophobicContact CG-CZ 3.99Å
387Q66.7Low83Confident80 Ų8030.1 Ų30.137%0.37415%0.154SC..Hα-helixtrans-67.1-37.2-179.8-175.3-162.1-46.400111.9R210 D383 I384 I385R210-Q387 VanDerWaalsContact CZ-NE2 3.34Å; R210-Q387 VanDerWaalsContact CZ-OE1 3.24Å; R210-Q387 VanDerWaalsContact NH1-CD 3.27Å; D383-Q387 WeakPolarHBondContact O-CB 3.28Å; D383-Q387 PolarHBondContact O-N 3.35Å; I384-Q387 PolarHBondContact O-N 3.13Å; I385-Q387 VanDerWaalsContact C-N 3.33Å
388D63.6Low82.7Confident28 Ų2831.3 Ų31.315%0.1516%0.159CC..Hα-helixtrans-92.8-0.5-176-60.7-29.5000112.8W190 I384 I385 L386 D390W190-D388 HydrophobicContact CD2-CB 4.27Å; W190-D388 HydrophobicContact CE3-CB 3.85Å; W190-D388 HydrophobicContact CH2-CB 3.92Å; W190-D388 HydrophobicContact CZ3-CB 3.62Å; W190-D388 WeakPolarHBondContact CZ3-OD2 2.91Å; I384-D388 PolarHBondContact O-N 3.06Å; I385-D388 PolarHBondContact O-N 3.02Å; L386-D388 VanDerWaalsContact C-N 3.33Å; D388-D390 VanDerWaalsContact C-N 3.32Å; D388-D390 WeakPolarHBondContact CB-OD2 3.37Å; D388-D390 VanDerWaalsContact O-OD2 3.1Å
389D71.1Confident82.6Confident126 Ų12634.5 Ų34.567%0.67417%0.171SC*.THydrogen-bonded Turntrans64.132.6179.7-158.928.7000113.5I385I385-D389 PolarHBondContact O-N 3.17Å
390D75.6Confident82.5Confident2 Ų234.3 Ų34.31%0.01117%0.169CC..  trans-10523-172.5-79.1-69.9000113.5W190 F360 I385 D388 E392 C393 T394W190-D390 HydrophobicContact CH2-CB 3.6Å; W190-D390 WeakPolarHBondContact CH2-OD2 3.46Å; W190-D390 HydrophobicContact CZ2-CB 4.12Å; W190-D390 WeakPolarHBondContact CZ2-OD2 3.41Å; F360-D390 HydrophobicContact CE1-CB 3.65Å; F360-D390 HydrophobicContact CZ-CB 3.87Å; I385-D390 PolarHBondContact O-N 2.93Å; D388-D390 VanDerWaalsContact C-N 3.32Å; D388-D390 WeakPolarHBondContact CB-OD2 3.37Å; D388-D390 VanDerWaalsContact O-OD2 3.1Å; D390-E392 VanDerWaalsContact C-N 3.28Å; D390-E392 PolarHBondContact O-N 3.41Å; D390-C393 HydrophobicContact CB-CB 4.25Å; D390-C393 PolarHBondContact O-N 3.32Å; D390-C393 PolarHBondContact OD1-SG 3.37Å; D390-T394 WeakPolarHBondContact O-CB 3.39Å; D390-T394 PolarHBondContact O-N 2.92Å; D390-T394 PolarHBondContact O-OG1 2.94Å
391V82.9Confident82.5Confident18 Ų1834.1 Ų34.111%0.10917%0.168CC..Hα-helixtrans-56.4-47.4173.8178.70000109.7I385 L386 T394 M395 E665 F666I385-V391 HydrophobicContact CG2-CB 4.47Å; I385-V391 HydrophobicContact CG2-CG2 3.99Å; L386-V391 HydrophobicContact CD2-CG2 3.71Å; V391-T394 WeakPolarHBondContact O-CB 3.39Å; V391-T394 PolarHBondContact O-N 3.44Å; V391-M395 HydrophobicContact CG1-CG 4.43Å; V391-M395 VanDerWaalsContact O-CG 3.3Å; V391-M395 WeakPolarHBondContact O-CG 3.21Å; V391-M395 PolarHBondContact O-N 2.65Å; V391-E665 HydrophobicContact CG1-CB 4.15Å; V391-E665 HydrophobicContact CG2-CB 4.47Å; V391-F666 HydrophobicContact CG1-CE1 4.23Å; V391-F666 HydrophobicContact CG2-CE1 4.23Å; V391-F666 HydrophobicContact CG2-CZ 4.12Å
392E83.4Confident82.5Confident111 Ų11134.5 Ų34.552%0.51918%0.176SC..Hα-helixtrans-71.1-36.1-177.3-173.255.7-160.600112.6D390 T394 M395 T396 R399D390-E392 VanDerWaalsContact C-N 3.28Å; D390-E392 PolarHBondContact O-N 3.41Å; E392-T394 VanDerWaalsContact C-N 3.31Å; E392-T394 PolarHBondContact O-N 3.04Å; E392-M395 PolarHBondContact O-N 3.26Å; E392-T396 VanDerWaalsContact O-CB 3.25Å; E392-T396 WeakPolarHBondContact O-CB 3.21Å; E392-T396 PolarHBondContact O-N 3.49Å; E392-T396 PolarHBondContact O-OG1 2.95Å; E392-R399 IonicContact OE1-CZ 3.32Å; E392-R399 IonicContact OE1-NH1 3.97Å; E392-R399 PolarHBondContact OE1-NH1 2.96Å; E392-R399 IonicContact OE1-NH2 2.87Å; E392-R399 PolarHBondContact OE1-NH2 3.46Å
393C83.1Confident82.4Confident30 Ų3037.2 Ų37.220%0.20319%0.19CC..Hα-helixtrans-60.5-43.4171.9-61.30000110.6D390 T396 E397D390-C393 HydrophobicContact CB-CB 4.25Å; D390-C393 PolarHBondContact O-N 3.32Å; D390-C393 PolarHBondContact OD1-SG 3.37Å; C393-T396 WeakPolarHBondContact O-CB 3.2Å; C393-T396 PolarHBondContact O-N 3.5Å; C393-E397 PolarHBondContact O-N 3.5Å
394T87.8Confident82.4Confident1 Ų135.5 Ų35.51%0.00618%0.181CC..Hα-helixtrans-65.3-41.5177.9-56.20000112.1L380 I385 D390 V391 E392 E397 K398 L423 F425 F669L380-T394 HydrophobicContact CD1-CG2 3.93Å; I385-T394 HydrophobicContact CD1-CG2 4.24Å; D390-T394 WeakPolarHBondContact O-CB 3.39Å; D390-T394 PolarHBondContact O-N 2.92Å; D390-T394 PolarHBondContact O-OG1 2.94Å; V391-T394 WeakPolarHBondContact O-CB 3.39Å; V391-T394 PolarHBondContact O-N 3.44Å; E392-T394 VanDerWaalsContact C-N 3.31Å; E392-T394 PolarHBondContact O-N 3.04Å; T394-E397 PolarHBondContact O-N 2.97Å; T394-K398 PolarHBondContact O-N 3.08Å; T394-K398 VanDerWaalsContact O-N 3.13Å; T394-L423 HydrophobicContact CG2-CD1 3.63Å; T394-F425 HydrophobicContact CG2-CE2 4.25Å; T394-F425 HydrophobicContact CG2-CZ 4.08Å; T394-F669 HydrophobicContact CG2-CE2 4.22Å
395M87.8Confident82.2Confident23 Ų2337.7 Ų37.711%0.11319%0.187CC..Hα-helixtrans-71.6-34.2177.3-67.9-62.9-77.300111.8V391 E392 K398 R399 N668 F669V391-M395 HydrophobicContact CG1-CG 4.43Å; V391-M395 VanDerWaalsContact O-CG 3.3Å; V391-M395 WeakPolarHBondContact O-CG 3.21Å; V391-M395 PolarHBondContact O-N 2.65Å; E392-M395 PolarHBondContact O-N 3.26Å; M395-K398 WeakPolarHBondContact O-CB 3.26Å; M395-K398 PolarHBondContact O-N 3.01Å; M395-R399 WeakPolarHBondContact O-CG 3.09Å; M395-R399 PolarHBondContact O-N 2.96Å; M395-N668 HydrophobicContact CE-CB 4Å; M395-F669 HydrophobicContact SD-CD2 4.14Å
396T88.8Confident82.2Confident13 Ų1342.6 Ų42.68%0.0822%0.22CC..Hα-helixtrans-61.8-49.4170.8-61.30000110.3E392 C393 K398 R399 V400 C495 E497E392-T396 VanDerWaalsContact O-CB 3.25Å; E392-T396 WeakPolarHBondContact O-CB 3.21Å; E392-T396 PolarHBondContact O-N 3.49Å; E392-T396 PolarHBondContact O-OG1 2.95Å; C393-T396 WeakPolarHBondContact O-CB 3.2Å; C393-T396 PolarHBondContact O-N 3.5Å; T396-K398 VanDerWaalsContact C-N 3.27Å; T396-K398 PolarHBondContact O-N 3.36Å; T396-R399 PolarHBondContact O-N 2.64Å; T396-R399 PolarHBondContact OG1-NH2 3.34Å; T396-V400 HydrophobicContact CG2-CG2 4.04Å; T396-V400 WeakPolarHBondContact O-CG2 3.2Å; T396-V400 PolarHBondContact O-N 3.5Å; T396-C495 HydrophobicContact CG2-CB 4.32Å; T396-E497 HydrophobicContact CG2-CG 4.06Å
397E91.5Very high83.1Confident5 Ų541.1 Ų41.12%0.02321%0.212CC..Hα-helixtrans-54.1-45.8176.8-178.7169.8-168.100111.1K378 C393 T394 R399 L401 F425 F492K378-E397 IonicContact NZ-OE1 3.68Å; K378-E397 PolarHBondContact NZ-OE1 2.88Å; K378-E397 IonicContact NZ-OE2 3.76Å; K378-E397 PolarHBondContact NZ-OE2 3.03Å; C393-E397 PolarHBondContact O-N 3.5Å; T394-E397 PolarHBondContact O-N 2.97Å; E397-R399 PolarHBondContact O-N 3.39Å; E397-L401 HydrophobicContact CG-CD1 3.79Å; E397-L401 HydrophobicContact CG-CG 4.42Å; E397-L401 VanDerWaalsContact O-CB 3.23Å; E397-L401 WeakPolarHBondContact O-CB 3.46Å; E397-L401 WeakPolarHBondContact O-CG 3.4Å; E397-L401 PolarHBondContact O-N 2.94Å; E397-F425 HydrophobicContact CG-CE1 4.35Å; E397-F425 HydrophobicContact CG-CZ 4.48Å; E397-F492 HydrophobicContact CG-CB 4.22Å
398K91.3Very high84.5Confident25 Ų2539 Ų3911%0.10921%0.205CC..Hα-helixtrans-56.6-50.3174.2179.7-167.1162169.70112.3T394 M395 T396 S402 F425 N668 F669 S670T394-K398 PolarHBondContact O-N 3.08Å; T394-K398 VanDerWaalsContact O-N 3.13Å; M395-K398 WeakPolarHBondContact O-CB 3.26Å; M395-K398 PolarHBondContact O-N 3.01Å; T396-K398 VanDerWaalsContact C-N 3.27Å; T396-K398 PolarHBondContact O-N 3.36Å; K398-S402 WeakPolarHBondContact O-CB 3.26Å; K398-S402 PolarHBondContact O-N 3.14Å; K398-S402 PolarHBondContact O-OG 3.18Å; K398-F425 HydrophobicContact CB-CE1 3.83Å; K398-F425 HydrophobicContact CB-CZ 4.37Å; K398-N668 PolarHBondContact NZ-O 2.88Å; K398-F669 HydrophobicContact CD-CD2 4.43Å; K398-F669 WeakPolarHBondContact CD-O 3.32Å; K398-F669 WeakPolarHBondContact CE-O 3.48Å; K398-F669 VanDerWaalsContact NZ-C 3.28Å; K398-F669 PolarHBondContact NZ-O 2.69Å; K398-S670 PolarHBondContact NZ-O 3.18Å
399R91.4Very high86.1Confident91 Ų9137.8 Ų37.834%0.34320%0.198SC..Hα-helixtrans-64.5-46.3-176.5-71.5-176-58.5-105.66111.3E392 M395 T396 E397 S402 L403 E497E392-R399 IonicContact OE1-CZ 3.32Å; E392-R399 IonicContact OE1-NH1 3.97Å; E392-R399 PolarHBondContact OE1-NH1 2.96Å; E392-R399 IonicContact OE1-NH2 2.87Å; E392-R399 PolarHBondContact OE1-NH2 3.46Å; M395-R399 WeakPolarHBondContact O-CG 3.09Å; M395-R399 PolarHBondContact O-N 2.96Å; T396-R399 PolarHBondContact O-N 2.64Å; T396-R399 PolarHBondContact OG1-NH2 3.34Å; E397-R399 PolarHBondContact O-N 3.39Å; R399-S402 WeakPolarHBondContact O-CB 3.48Å; R399-S402 PolarHBondContact O-N 2.83Å; R399-L403 PolarHBondContact O-N 3.06Å; R399-L403 VanDerWaalsContact O-N 3.09Å; R399-E497 IonicContact CZ-OE2 2.82Å; R399-E497 VanDerWaalsContact CZ-OE2 3.23Å; R399-E497 IonicContact NE-OE1 2.86Å; R399-E497 IonicContact NE-OE2 3.32Å; R399-E497 PolarHBondContact NE-OE2 3.41Å; R399-E497 IonicContact NH2-OE2 2.77Å; R399-E497 PolarHBondContact NH2-OE2 3.41Å
400V91.7Very high87.3Confident0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-62.5-47.3178.5176.60000110.8T396 S402 L403 A404 L464 I469 F492 C495 E497T396-V400 HydrophobicContact CG2-CG2 4.04Å; T396-V400 WeakPolarHBondContact O-CG2 3.2Å; T396-V400 PolarHBondContact O-N 3.5Å; V400-S402 VanDerWaalsContact C-N 3.27Å; V400-S402 PolarHBondContact O-N 3.47Å; V400-L403 PolarHBondContact O-N 3.31Å; V400-L403 VanDerWaalsContact O-N 3.13Å; V400-A404 VanDerWaalsContact O-CB 3.24Å; V400-A404 WeakPolarHBondContact O-CB 3.33Å; V400-A404 PolarHBondContact O-N 3.45Å; V400-L464 HydrophobicContact CG1-CD2 4.26Å; V400-I469 HydrophobicContact CG1-CD1 4.29Å; V400-I469 HydrophobicContact CG1-CG2 4.34Å; V400-I469 HydrophobicContact CG2-CD1 4.06Å; V400-I469 HydrophobicContact CG2-CG2 4.19Å; V400-F492 HydrophobicContact CB-CB 4.22Å; V400-F492 HydrophobicContact CG1-CB 3.92Å; V400-F492 HydrophobicContact CG1-CD1 3.42Å; V400-F492 VanDerWaalsContact CG1-CD1 3.42Å; V400-F492 HydrophobicContact CG1-CE1 4.16Å; V400-F492 HydrophobicContact CG1-CG 3.82Å; V400-C495 HydrophobicContact CG2-CB 4Å; V400-E497 HydrophobicContact CG2-CG 3.97Å
401L90.7Very high88.2Confident0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-61.1-34.7175.9-84.9171.5000113.2E397 L403 L413 F425 M427 F492E397-L401 HydrophobicContact CG-CD1 3.79Å; E397-L401 HydrophobicContact CG-CG 4.42Å; E397-L401 VanDerWaalsContact O-CB 3.23Å; E397-L401 WeakPolarHBondContact O-CB 3.46Å; E397-L401 WeakPolarHBondContact O-CG 3.4Å; E397-L401 PolarHBondContact O-N 2.94Å; L401-L403 VanDerWaalsContact C-N 3.33Å; L401-L413 HydrophobicContact CB-CB 3.92Å; L401-L413 HydrophobicContact CB-CD2 3.88Å; L401-L413 HydrophobicContact CB-CG 4.43Å; L401-F425 HydrophobicContact CD1-CD1 3.98Å; L401-F425 HydrophobicContact CD1-CE1 4.3Å; L401-M427 HydrophobicContact CD1-SD 4.17Å; L401-F492 HydrophobicContact CD2-CD2 3.37Å; L401-F492 HydrophobicContact CD2-CE2 3.46Å; L401-F492 VanDerWaalsContact CD2-CE2 3.46Å; L401-F492 HydrophobicContact CD2-CG 4.48Å; L401-F492 HydrophobicContact CG-CD2 3.67Å; L401-F492 HydrophobicContact CG-CE2 4.25Å; L401-F492 HydrophobicContact CG-CG 4.42Å
402S87.9Confident88.6Confident47 Ų4733.4 Ų33.433%0.32917%0.173SC..Hα-helixtrans-67.3-35.8176.7-57.50000111.8K398 R399 V400K398-S402 WeakPolarHBondContact O-CB 3.26Å; K398-S402 PolarHBondContact O-N 3.14Å; K398-S402 PolarHBondContact O-OG 3.18Å; R399-S402 WeakPolarHBondContact O-CB 3.48Å; R399-S402 PolarHBondContact O-N 2.83Å; V400-S402 VanDerWaalsContact C-N 3.27Å; V400-S402 PolarHBondContact O-N 3.47Å
403L86.4Confident89Confident59 Ų5928.3 Ų28.331%0.30915%0.149SC..Hα-helixtrans-76.7-38.8175.4-176.367.7000112.3R399 V400 L401 R405 C406 F463 Q467 I469R399-L403 PolarHBondContact O-N 3.06Å; R399-L403 VanDerWaalsContact O-N 3.09Å; V400-L403 PolarHBondContact O-N 3.31Å; V400-L403 VanDerWaalsContact O-N 3.13Å; L401-L403 VanDerWaalsContact C-N 3.33Å; L403-R405 PolarHBondContact O-N 3.39Å; L403-C406 PolarHBondContact O-N 2.77Å; L403-C406 VanDerWaalsContact O-N 3.14Å; L403-F463 HydrophobicContact CG-CZ 4.43Å; L403-Q467 HydrophobicContact CD2-CB 3.72Å; L403-Q467 HydrophobicContact CD2-CG 3.74Å; L403-I469 HydrophobicContact CD2-CD1 3.65Å
404A79.6Confident89.3Confident1 Ų128 Ų281%0.00814%0.144CC..Hα-helixtrans-57.2-23.6-177.300000113.7V400 C406 H407 L410 F492V400-A404 VanDerWaalsContact O-CB 3.24Å; V400-A404 WeakPolarHBondContact O-CB 3.33Å; V400-A404 PolarHBondContact O-N 3.45Å; A404-C406 PolarHBondContact O-N 3.03Å; A404-H407 PolarHBondContact O-N 2.75Å; A404-L410 HydrophobicContact CB-CB 3.78Å; A404-L410 HydrophobicContact CB-CD1 3.61Å; A404-L410 HydrophobicContact CB-CG 4.34Å; A404-F492 HydrophobicContact CB-CZ 4.41Å
405R72.7Confident89.5Confident80 Ų8028.1 Ų28.130%0.30215%0.145SC..THydrogen-bonded Turntrans-52.8-23.9174.5179.6172.2163.2-150.5-15.9113.9L403 H407 S673 D675L403-R405 PolarHBondContact O-N 3.39Å; R405-H407 VanDerWaalsContact C-N 3.26Å; R405-H407 PolarHBondContact O-N 3.38Å; R405-S673 PolarHBondContact NH1-OG 3.16Å; R405-D675 IonicContact CZ-OD1 3.65Å; R405-D675 IonicContact CZ-OD2 3.14Å; R405-D675 IonicContact NE-OD2 3.27Å; R405-D675 PolarHBondContact NE-OD2 3.26Å; R405-D675 IonicContact NH2-OD1 2.67Å; R405-D675 PolarHBondContact NH2-OD1 2.77Å; R405-D675 IonicContact NH2-OD2 2.6Å; R405-D675 PolarHBondContact NH2-OD2 2.79Å
406C78.2Confident89.8Confident103 Ų10327.1 Ų27.170%0.69614%0.14SC*.THydrogen-bonded Turntrans-77.3-5.5178.6-63.20000114.3L403 A404 F463L403-C406 PolarHBondContact O-N 2.77Å; L403-C406 VanDerWaalsContact O-N 3.14Å; A404-C406 PolarHBondContact O-N 3.03Å; C406-F463 HydrophobicContact CB-CZ 4.18Å
407H93.9Very high90Very high20 Ų2027 Ų279%0.09314%0.139CC..SBendtrans-121.4132.1-173.8-160.4-94.7000113.2A404 R405 Y409 L410 S459 F463A404-H407 PolarHBondContact O-N 2.75Å; R405-H407 VanDerWaalsContact C-N 3.26Å; R405-H407 PolarHBondContact O-N 3.38Å; H407-Y409 AromaticContact CE1-CD2 3.69Å; H407-Y409 PolarHBondContact ND1-N 3.3Å; H407-Y409 PolarHBondContact O-N 3.48Å; H407-Y409 VanDerWaalsContact O-N 3.16Å; H407-L410 HydrophobicContact CB-CB 4.47Å; H407-L410 HydrophobicContact CB-CD1 3.88Å; H407-L410 HydrophobicContact CB-CG 4Å; H407-L410 PolarHBondContact O-N 3.47Å; H407-S459 PolarHBondContact CE1-OG 3.45Å; H407-S459 VanDerWaalsContact CE1-OG 3.27Å; H407-S459 PolarHBondContact NE2-OG 3.35Å; H407-F463 HydrophobicContact CB-CD1 3.88Å; H407-F463 HydrophobicContact CB-CE1 4.04Å; H407-F463 HydrophobicContact CB-CG 4.14Å; H407-F463 HydrophobicContact CB-CZ 4.44Å; H407-F463 AromaticContact CD2-CD2 3.94Å; H407-F463 AromaticContact CD2-CG 3.63Å; H407-F463 AromaticContact CG-CG 3.98Å
408P95.2Very high90.1Very high36 Ų3629.4 Ų29.423%0.23415%0.15CC..THydrogen-bonded Turntrans-61.3-28.1-17522.3-34.6000114.6K488 R620P408-K488 WeakPolarHBondContact O-CD 3.23Å; P408-K488 WeakPolarHBondContact O-CE 3.49Å; P408-K488 PolarHBondContact O-NZ 3.45Å; P408-R620 HydrophobicContact CB-CG 3.86Å
409Y97.5Very high90.1Very high2 Ų229.7 Ų29.71%0.00815%0.153CC..THydrogen-bonded Turntrans-103.311.2-172.3-56.6-50.3000114.6H407 E456 H486 C487 K488 L489 L617 R620H407-Y409 AromaticContact CE1-CD2 3.69Å; H407-Y409 PolarHBondContact ND1-N 3.3Å; H407-Y409 PolarHBondContact O-N 3.48Å; H407-Y409 VanDerWaalsContact O-N 3.16Å; Y409-E456 HydrophobicContact CD1-CB 4.1Å; Y409-E456 HydrophobicContact CD1-CG 4.31Å; Y409-E456 HydrophobicContact CD2-CB 4.1Å; Y409-E456 HydrophobicContact CE1-CB 4.05Å; Y409-E456 HydrophobicContact CE1-CG 3.76Å; Y409-E456 WeakPolarHBondContact CE1-OE1 3.29Å; Y409-E456 HydrophobicContact CE2-CB 4.07Å; Y409-E456 HydrophobicContact CE2-CG 4.02Å; Y409-E456 HydrophobicContact CG-CB 4.1Å; Y409-E456 PolarHBondContact OH-OE1 2.8Å; Y409-H486 HydrophobicContact CE1-CB 4.23Å; Y409-H486 AromaticContact CE1-ND1 3.94Å; Y409-C487 WeakPolarHBondContact CA-O 3.23Å; Y409-C487 WeakPolarHBondContact CD1-O 3.32Å; Y409-K488 CarbonylContact O-C 3.49Å; Y409-K488 WeakPolarHBondContact O-CA 3.44Å; Y409-L489 PolarHBondContact O-N 3.14Å; Y409-L617 HydrophobicContact CE2-CG 4.24Å; Y409-L617 PolarHBondContact OH-O 3.43Å; Y409-R620 HydrophobicContact CE1-CG 4.09Å
410L96.3Very high90Very high0 Ų029 Ų290%016%0.161CC..BIsolated β-bridgetrans-110.8151.2171.4-58.4179.6000109.9A404 H407 A460 F463 L464 K488 L489 F492A404-L410 HydrophobicContact CB-CB 3.78Å; A404-L410 HydrophobicContact CB-CD1 3.61Å; A404-L410 HydrophobicContact CB-CG 4.34Å; H407-L410 HydrophobicContact CB-CB 4.47Å; H407-L410 HydrophobicContact CB-CD1 3.88Å; H407-L410 HydrophobicContact CB-CG 4Å; H407-L410 PolarHBondContact O-N 3.47Å; L410-A460 HydrophobicContact CD2-CB 3.78Å; L410-A460 HydrophobicContact CG-CB 4.45Å; L410-F463 HydrophobicContact CD1-CD1 3.69Å; L410-F463 HydrophobicContact CD1-CE1 3.86Å; L410-L464 HydrophobicContact CD1-CD2 3.89Å; L410-L464 HydrophobicContact CD1-CG 4.24Å; L410-L464 HydrophobicContact CD2-CD1 4.29Å; L410-K488 WeakPolarHBondContact O-CD 3.48Å; L410-K488 PolarHBondContact O-NZ 3.3Å; L410-L489 HydrophobicContact CD2-CB 3.8Å; L410-L489 HydrophobicContact CD2-CD1 3.94Å; L410-L489 HydrophobicContact CD2-CG 4.15Å; L410-F492 HydrophobicContact CB-CZ 4.15Å; L410-F492 HydrophobicContact CD2-CE1 4.04Å; L410-F492 HydrophobicContact CD2-CZ 3.93Å; L410-F492 HydrophobicContact CG-CZ 4.48Å
411T93.8Very high89.9Confident6 Ų630.4 Ų30.44%0.03717%0.169CC..PPolyproline II helixtrans-69.5136.7175.7520000112.3E428 V430 L480 K488 L489 A490 F492T411-E428 WeakPolarHBondContact CA-OE1 3.17Å; T411-V430 HydrophobicContact CG2-CG2 4.23Å; T411-L480 HydrophobicContact CG2-CD1 4.44Å; T411-K488 HydrophobicContact CG2-CB 4.03Å; T411-L489 WeakPolarHBondContact CG2-O 3.41Å; T411-L489 PolarHBondContact N-O 2.89Å; T411-L489 PolarHBondContact OG1-O 2.7Å; T411-A490 HydrophobicContact CG2-CB 3.75Å; T411-F492 WeakPolarHBondContact OG1-CE2 3.13Å
412Q90.8Very high89.9Confident49 Ų4931.1 Ų31.123%0.22917%0.171CC..PPolyproline II helixtrans-87.8137.4-178.2-63.7177.670.500112.3M427 E428Q412-M427 CarbonylContact O-C 3.56Å; Q412-M427 VanDerWaalsContact O-CA 3.27Å; Q412-M427 WeakPolarHBondContact O-CA 3.47Å; Q412-E428 HydrophobicContact CB-CB 4.26Å; Q412-E428 HydrophobicContact CB-CG 4.08Å; Q412-E428 PolarHBondContact N-OE1 3.25Å; Q412-E428 PolarHBondContact NE2-OE2 2.95Å; Q412-E428 PolarHBondContact O-N 3.19Å
413L92.3Very high90.2Very high3 Ų328.9 Ų28.92%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-101.8125.7170.8178.570.7000110.8L401 F425 M427L401-L413 HydrophobicContact CB-CB 3.92Å; L401-L413 HydrophobicContact CB-CD2 3.88Å; L401-L413 HydrophobicContact CB-CG 4.43Å; L413-F425 HydrophobicContact CD1-CB 4.09Å; L413-F425 HydrophobicContact CD1-CD1 4.03Å; L413-M427 HydrophobicContact CD1-CG 4.04Å
414Y90.3Very high90.6Very high25 Ų2526 Ų2610%0.09814%0.141CC..EExtended strand (participates in β ladder)trans-94.5-48.4177.5-69.6-78.9000112.4F375 V426 E428 S673 L676 I679F375-Y414 AromaticContact CD1-CD2 3.72Å; F375-Y414 HydrophobicContact CD1-CD2 3.72Å; F375-Y414 HydrophobicContact CD1-CE2 4.05Å; F375-Y414 HydrophobicContact CD1-CG 4.33Å; F375-Y414 HydrophobicContact CE1-CD1 4.41Å; F375-Y414 AromaticContact CE1-CD2 3.68Å; F375-Y414 HydrophobicContact CE1-CD2 3.68Å; F375-Y414 AromaticContact CE1-CE2 3.93Å; F375-Y414 HydrophobicContact CE1-CE2 3.93Å; F375-Y414 AromaticContact CE1-CG 3.93Å; F375-Y414 HydrophobicContact CE1-CG 3.93Å; Y414-V426 PolarHBondContact N-O 3.31Å; Y414-E428 HydrophobicContact CE2-CB 3.78Å; Y414-S673 WeakPolarHBondContact O-CA 3.44Å; Y414-S673 WeakPolarHBondContact O-CB 3.16Å; Y414-S673 PolarHBondContact O-N 3.28Å; Y414-L676 HydrophobicContact CD1-CB 4.39Å; Y414-L676 HydrophobicContact CD1-CD1 4.08Å; Y414-L676 HydrophobicContact CG-CD1 4.2Å; Y414-I679 HydrophobicContact CD1-CD1 4.21Å; Y414-I679 HydrophobicContact CE1-CD1 3.59Å
415C91.8Very high91.3Very high2 Ų226 Ų261%0.01414%0.14CC..EExtended strand (participates in β ladder)trans-155.2161175.870.30000112.3V426 F671 T672 L676C415-V426 PolarHBondContact N-O 3.48Å; C415-V426 WeakPolarHBondContact O-CB 3.48Å; C415-V426 PolarHBondContact O-N 3.08Å; C415-V426 WeakPolarHBondContact SG-CB 3.42Å; C415-V426 WeakPolarHBondContact SG-CG2 3.25Å; C415-F671 CarbonylContact C-O 3.58Å; C415-F671 WeakPolarHBondContact CA-O 3.4Å; C415-F671 WeakPolarHBondContact CB-O 3.18Å; C415-T672 HydrophobicContact CB-CG2 4.24Å; C415-L676 HydrophobicContact CB-CD2 3.96Å
416C93.8Very high92.3Very high2 Ų222.2 Ų22.21%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-125.5134.1171.1-71.80000108.4F424 F425 F669 S670 F671C416-F424 VanDerWaalsContact CA-O 3.25Å; C416-F424 WeakPolarHBondContact CA-O 3.41Å; C416-F425 VanDerWaalsContact SG-CD1 3.57Å; C416-F669 HydrophobicContact CB-CD1 4.03Å; C416-F669 HydrophobicContact CB-CE1 3.6Å; C416-F669 HydrophobicContact CB-CZ 3.99Å; C416-F669 VanDerWaalsContact CB-O 3.28Å; C416-F669 WeakPolarHBondContact CB-O 3.24Å; C416-S670 CarbonylContact O-C 3.59Å; C416-S670 VanDerWaalsContact O-CA 3.24Å; C416-S670 WeakPolarHBondContact O-CA 3.31Å; C416-F671 PolarHBondContact N-O 3.32Å; C416-F671 PolarHBondContact O-N 3.03Å
417F93.9Very high93.1Very high12 Ų1218.3 Ų18.35%0.05310%0.098CC..EExtended strand (participates in β ladder)trans-141.6167.5170.665.9-92.5000110.4I346 F349 F424 V426 F669I346-F417 HydrophobicContact CB-CE2 4.03Å; I346-F417 HydrophobicContact CB-CZ 4.47Å; F349-F417 HydrophobicContact CD2-CE1 4.22Å; F349-F417 HydrophobicContact CD2-CZ 4.35Å; F349-F417 AromaticContact CE2-CE1 3.83Å; F349-F417 HydrophobicContact CE2-CE1 3.83Å; F349-F417 HydrophobicContact CE2-CZ 4.39Å; F417-F424 HydrophobicContact CD1-CB 3.99Å; F417-F424 HydrophobicContact CD2-CB 3.93Å; F417-F424 AromaticContact CD2-CD2 3.65Å; F417-F424 HydrophobicContact CD2-CD2 3.65Å; F417-F424 HydrophobicContact CD2-CE2 4.37Å; F417-F424 AromaticContact CD2-CG 3.88Å; F417-F424 HydrophobicContact CD2-CG 3.88Å; F417-F424 HydrophobicContact CE1-CB 3.72Å; F417-F424 HydrophobicContact CE1-CG 4.21Å; F417-F424 HydrophobicContact CE2-CB 3.64Å; F417-F424 AromaticContact CE2-CD1 3.77Å; F417-F424 HydrophobicContact CE2-CD1 3.77Å; F417-F424 AromaticContact CE2-CD2 3.34Å; F417-F424 HydrophobicContact CE2-CD2 3.34Å; F417-F424 HydrophobicContact CE2-CE1 4.26Å; F417-F424 AromaticContact CE2-CE2 3.87Å; F417-F424 HydrophobicContact CE2-CE2 3.87Å; F417-F424 AromaticContact CE2-CG 3.29Å; F417-F424 HydrophobicContact CE2-CG 3.29Å; F417-F424 HydrophobicContact CE2-CZ 4.31Å; F417-F424 HydrophobicContact CG-CB 4.1Å; F417-F424 HydrophobicContact CZ-CB 3.53Å; F417-F424 AromaticContact CZ-CD1 3.69Å; F417-F424 HydrophobicContact CZ-CD1 3.69Å; F417-F424 HydrophobicContact CZ-CD2 4.05Å; F417-F424 HydrophobicContact CZ-CE1 4.42Å; F417-F424 AromaticContact CZ-CG 3.49Å; F417-F424 HydrophobicContact CZ-CG 3.49Å; F417-F424 VanDerWaalsContact CZ-CG 3.49Å; F417-F424 PolarHBondContact N-O 3.12Å; F417-F424 VanDerWaalsContact N-O 3.12Å; F417-F424 WeakPolarHBondContact O-CB 3.38Å; F417-F424 PolarHBondContact O-N 3.5Å; F417-V426 HydrophobicContact CD1-CG2 4.15Å; F417-V426 HydrophobicContact CE1-CG2 3.67Å; F417-F669 VanDerWaalsContact O-CE1 3.26Å; F417-F669 WeakPolarHBondContact O-CE1 3.2Å
418Q93.5Very high93Very high54 Ų5418.8 Ų18.825%0.25210%0.1SC..EExtended strand (participates in β ladder)trans-140.5148.9-175.959.9-178.2-5200111.1R422 L423 F666 F669Q418-R422 VanDerWaalsContact CA-O 3.29Å; Q418-R422 WeakPolarHBondContact CA-O 3.38Å; Q418-R422 WeakPolarHBondContact CB-O 3.5Å; Q418-L423 HydrophobicContact CB-CD2 3.65Å; Q418-F666 PolarHBondContact NE2-O 3.22Å; Q418-F669 HydrophobicContact CB-CD1 4.16Å
419T90.9Very high93Very high31 Ų3118.5 Ų18.519%0.1910%0.095CC..  trans-107176.8167.257.90000108.5K382 D421 R422 F424K382-T419 WeakPolarHBondContact CE-O 3.32Å; K382-T419 PolarHBondContact NZ-O 2.87Å; T419-D421 WeakPolarHBondContact CB-OD1 3.48Å; T419-D421 PolarHBondContact O-N 2.92Å; T419-D421 VanDerWaalsContact O-N 3.13Å; T419-D421 PolarHBondContact OG1-OD1 3.47Å; T419-R422 PolarHBondContact N-O 3.4Å; T419-R422 WeakPolarHBondContact OG1-CB 3.3Å; T419-R422 PolarHBondContact OG1-N 3.22Å; T419-R422 VanDerWaalsContact OG1-N 3.15Å; T419-F424 HydrophobicContact CG2-CE2 3.72Å; T419-F424 HydrophobicContact CG2-CZ 4.32Å
420P89.1Confident92.8Very high78 Ų7818.9 Ų18.951%0.50610%0.098SC..SBendtrans-55.3-28.4175.2-28.737.8000113.9I658 Q663P420-I658 HydrophobicContact CB-CG2 3.92Å; P420-Q663 PolarHBondContact O-NE2 2.96Å
421D88.4Confident92.7Very high29 Ų2919.5 Ų19.516%0.15510%0.101CC..SBendtrans-112.8-14.3-171.264.6-35.8000114.5K382 T419 I653K382-D421 WeakPolarHBondContact CB-O 3.47Å; K382-D421 PolarHBondContact N-O 3.32Å; T419-D421 WeakPolarHBondContact CB-OD1 3.48Å; T419-D421 PolarHBondContact O-N 2.92Å; T419-D421 VanDerWaalsContact O-N 3.13Å; T419-D421 PolarHBondContact OG1-OD1 3.47Å; D421-I653 HydrophobicContact CB-CD1 3.78Å; D421-I653 HydrophobicContact CB-CG2 4.49Å; D421-I653 WeakPolarHBondContact OD2-CD1 3.3Å
422R92.1Very high92.7Very high14 Ų1419.2 Ų19.25%0.05310%0.099CC..EExtended strand (participates in β ladder)trans-143.1161.2-170.9-64.2163.7-158.9-90.1-5.5114.7V379 L380 Q418 T419 F424 T651 I653V379-R422 HydrophobicContact CG1-CB 4.34Å; V379-R422 HydrophobicContact CG1-CG 4.33Å; L380-R422 CarbonylContact O-C 3.46Å; L380-R422 WeakPolarHBondContact O-CA 3.21Å; L380-R422 VanDerWaalsContact O-CB 3.31Å; L380-R422 WeakPolarHBondContact O-CB 3.44Å; Q418-R422 VanDerWaalsContact CA-O 3.29Å; Q418-R422 WeakPolarHBondContact CA-O 3.38Å; Q418-R422 WeakPolarHBondContact CB-O 3.5Å; T419-R422 PolarHBondContact N-O 3.4Å; T419-R422 WeakPolarHBondContact OG1-CB 3.3Å; T419-R422 PolarHBondContact OG1-N 3.22Å; T419-R422 VanDerWaalsContact OG1-N 3.15Å; R422-F424 HydrophobicContact CB-CD2 4.28Å; R422-F424 HydrophobicContact CB-CE2 3.53Å; R422-F424 HydrophobicContact CB-CZ 3.92Å; R422-T651 PolarHBondContact NH1-O 2.9Å; R422-T651 PolarHBondContact NH2-O 3.49Å; R422-I653 HydrophobicContact CG-CD1 4.29Å; R422-I653 VanDerWaalsContact NH2-CD1 3.27Å; R422-I653 VanDerWaalsContact NH2-CG1 3.32Å
423L93.4Very high92.8Very high0 Ų016.9 Ų16.90%09%0.089CC..EExtended strand (participates in β ladder)trans-116.2143.4168.7-56-178.7000109.7V379 L380 K382 I385 T394 Q418 F666 F669V379-L423 WeakPolarHBondContact CA-O 3.31Å; L380-L423 HydrophobicContact CB-CB 4.39Å; L380-L423 PolarHBondContact N-O 3.42Å; L380-L423 PolarHBondContact O-N 2.93Å; K382-L423 HydrophobicContact CD-CD2 4.39Å; K382-L423 HydrophobicContact CG-CD2 4.15Å; K382-L423 HydrophobicContact CG-CG 4.03Å; I385-L423 HydrophobicContact CD1-CD1 3.56Å; I385-L423 HydrophobicContact CD1-CG 4.22Å; T394-L423 HydrophobicContact CG2-CD1 3.63Å; Q418-L423 HydrophobicContact CB-CD2 3.65Å; L423-F666 HydrophobicContact CD1-CD1 3.67Å; L423-F666 HydrophobicContact CD1-CE1 3.74Å; L423-F666 HydrophobicContact CD2-CB 4.28Å; L423-F666 HydrophobicContact CD2-CD1 4.07Å; L423-F666 HydrophobicContact CD2-CG 4.2Å; L423-F666 HydrophobicContact CG-CD1 4.38Å; L423-F669 HydrophobicContact CB-CD1 4.36Å; L423-F669 HydrophobicContact CB-CE1 3.81Å; L423-F669 HydrophobicContact CB-CE2 4.04Å; L423-F669 HydrophobicContact CB-CZ 3.65Å; L423-F669 HydrophobicContact CD1-CD2 3.89Å; L423-F669 HydrophobicContact CD1-CE2 3.82Å; L423-F669 HydrophobicContact CD1-CG 4.42Å; L423-F669 HydrophobicContact CD1-CZ 4.3Å; L423-F669 HydrophobicContact CD2-CB 4.3Å; L423-F669 HydrophobicContact CD2-CD1 3.76Å; L423-F669 HydrophobicContact CD2-CD2 4.08Å; L423-F669 HydrophobicContact CD2-CE1 4.1Å; L423-F669 HydrophobicContact CD2-CE2 4.4Å; L423-F669 HydrophobicContact CD2-CG 3.76Å; L423-F669 HydrophobicContact CD2-CZ 4.42Å; L423-F669 HydrophobicContact CG-CD2 4.42Å; L423-F669 HydrophobicContact CG-CE1 4.43Å; L423-F669 HydrophobicContact CG-CE2 4.32Å; L423-F669 HydrophobicContact CG-CZ 4.35Å
424F94.9Very high92.8Very high0 Ų018.5 Ų18.50%010%0.097CC..EExtended strand (participates in β ladder)trans-129125.4-177.8-61.8-101.8000109.7I346 F351 I377 K378 V379 C416 F417 T419 R422 L650 F669I346-F424 HydrophobicContact CD1-CE1 4.1Å; I346-F424 HydrophobicContact CD1-CZ 3.93Å; F351-F424 HydrophobicContact CZ-CE1 4.39Å; I377-F424 HydrophobicContact CG2-CB 4.35Å; I377-F424 HydrophobicContact CG2-CD1 3.97Å; K378-F424 WeakPolarHBondContact O-CA 3.49Å; V379-F424 HydrophobicContact CB-CD1 4.31Å; V379-F424 HydrophobicContact CB-CE1 4.27Å; V379-F424 HydrophobicContact CG1-CD1 3.98Å; V379-F424 HydrophobicContact CG1-CE1 3.58Å; V379-F424 HydrophobicContact CG1-CZ 3.94Å; V379-F424 HydrophobicContact CG2-CD1 3.65Å; V379-F424 HydrophobicContact CG2-CE1 3.72Å; C416-F424 VanDerWaalsContact CA-O 3.25Å; C416-F424 WeakPolarHBondContact CA-O 3.41Å; F417-F424 HydrophobicContact CD1-CB 3.99Å; F417-F424 HydrophobicContact CD2-CB 3.93Å; F417-F424 AromaticContact CD2-CD2 3.65Å; F417-F424 HydrophobicContact CD2-CD2 3.65Å; F417-F424 HydrophobicContact CD2-CE2 4.37Å; F417-F424 AromaticContact CD2-CG 3.88Å; F417-F424 HydrophobicContact CD2-CG 3.88Å; F417-F424 HydrophobicContact CE1-CB 3.72Å; F417-F424 HydrophobicContact CE1-CG 4.21Å; F417-F424 HydrophobicContact CE2-CB 3.64Å; F417-F424 AromaticContact CE2-CD1 3.77Å; F417-F424 HydrophobicContact CE2-CD1 3.77Å; F417-F424 AromaticContact CE2-CD2 3.34Å; F417-F424 HydrophobicContact CE2-CD2 3.34Å; F417-F424 HydrophobicContact CE2-CE1 4.26Å; F417-F424 AromaticContact CE2-CE2 3.87Å; F417-F424 HydrophobicContact CE2-CE2 3.87Å; F417-F424 AromaticContact CE2-CG 3.29Å; F417-F424 HydrophobicContact CE2-CG 3.29Å; F417-F424 HydrophobicContact CE2-CZ 4.31Å; F417-F424 HydrophobicContact CG-CB 4.1Å; F417-F424 HydrophobicContact CZ-CB 3.53Å; F417-F424 AromaticContact CZ-CD1 3.69Å; F417-F424 HydrophobicContact CZ-CD1 3.69Å; F417-F424 HydrophobicContact CZ-CD2 4.05Å; F417-F424 HydrophobicContact CZ-CE1 4.42Å; F417-F424 AromaticContact CZ-CG 3.49Å; F417-F424 HydrophobicContact CZ-CG 3.49Å; F417-F424 VanDerWaalsContact CZ-CG 3.49Å; F417-F424 PolarHBondContact N-O 3.12Å; F417-F424 VanDerWaalsContact N-O 3.12Å; F417-F424 WeakPolarHBondContact O-CB 3.38Å; F417-F424 PolarHBondContact O-N 3.5Å; T419-F424 HydrophobicContact CG2-CE2 3.72Å; T419-F424 HydrophobicContact CG2-CZ 4.32Å; R422-F424 HydrophobicContact CB-CD2 4.28Å; R422-F424 HydrophobicContact CB-CE2 3.53Å; R422-F424 HydrophobicContact CB-CZ 3.92Å; F424-L650 HydrophobicContact CE1-CD1 4.5Å; F424-L650 HydrophobicContact CZ-CD1 4.33Å; F424-F669 WeakPolarHBondContact O-CE1 3.38Å
425F94.3Very high93Very high0 Ų017.3 Ų17.30%09%0.093CC..EExtended strand (participates in β ladder)trans-106.3118.1167.6-63.2-103.8000108.6I377 K378 L380 T394 E397 K398 L401 L413 C416 M427 F669I377-F425 CarbonylContact C-O 3.58Å; I377-F425 VanDerWaalsContact CA-O 3.26Å; I377-F425 WeakPolarHBondContact CA-O 3.18Å; K378-F425 HydrophobicContact CB-CB 4.22Å; K378-F425 PolarHBondContact N-O 2.93Å; K378-F425 PolarHBondContact O-N 3.31Å; L380-F425 HydrophobicContact CD1-CD2 4.26Å; L380-F425 HydrophobicContact CD1-CE2 3.58Å; L380-F425 HydrophobicContact CG-CE2 4.36Å; T394-F425 HydrophobicContact CG2-CE2 4.25Å; T394-F425 HydrophobicContact CG2-CZ 4.08Å; E397-F425 HydrophobicContact CG-CE1 4.35Å; E397-F425 HydrophobicContact CG-CZ 4.48Å; K398-F425 HydrophobicContact CB-CE1 3.83Å; K398-F425 HydrophobicContact CB-CZ 4.37Å; L401-F425 HydrophobicContact CD1-CD1 3.98Å; L401-F425 HydrophobicContact CD1-CE1 4.3Å; L413-F425 HydrophobicContact CD1-CB 4.09Å; L413-F425 HydrophobicContact CD1-CD1 4.03Å; C416-F425 VanDerWaalsContact SG-CD1 3.57Å; F425-M427 HydrophobicContact CB-CG 4.15Å; F425-M427 HydrophobicContact CB-SD 4.26Å; F425-F669 HydrophobicContact CD1-CZ 4.38Å; F425-F669 HydrophobicContact CD2-CE2 4.47Å; F425-F669 AromaticContact CD2-CZ 3.88Å; F425-F669 HydrophobicContact CD2-CZ 3.88Å; F425-F669 HydrophobicContact CE1-CE2 4.03Å; F425-F669 HydrophobicContact CE1-CZ 4.08Å; F425-F669 AromaticContact CE2-CE2 3.66Å; F425-F669 HydrophobicContact CE2-CE2 3.66Å; F425-F669 AromaticContact CE2-CZ 3.5Å; F425-F669 HydrophobicContact CE2-CZ 3.5Å; F425-F669 HydrophobicContact CG-CZ 4.31Å; F425-F669 AromaticContact CZ-CE2 3.43Å; F425-F669 HydrophobicContact CZ-CE2 3.43Å; F425-F669 VanDerWaalsContact CZ-CE2 3.43Å; F425-F669 AromaticContact CZ-CZ 3.64Å; F425-F669 HydrophobicContact CZ-CZ 3.64Å
426V94.4Very high93Very high0 Ų019.5 Ų19.50%010%0.103CC..EExtended strand (participates in β ladder)trans-96.9107.8175.8-175.80000108.1F349 F375 I377 Y414 C415 F417F349-V426 HydrophobicContact CE1-CG1 4.02Å; F349-V426 HydrophobicContact CE2-CG2 4.26Å; F349-V426 HydrophobicContact CZ-CG1 3.97Å; F349-V426 HydrophobicContact CZ-CG2 3.94Å; F375-V426 HydrophobicContact CB-CG1 3.83Å; F375-V426 HydrophobicContact CD1-CG1 3.73Å; F375-V426 HydrophobicContact CE1-CG1 4.45Å; F375-V426 HydrophobicContact CG-CG1 3.79Å; I377-V426 HydrophobicContact CD1-CG2 4.16Å; I377-V426 HydrophobicContact CG1-CG1 4.37Å; I377-V426 HydrophobicContact CG1-CG2 4.2Å; Y414-V426 PolarHBondContact N-O 3.31Å; C415-V426 PolarHBondContact N-O 3.48Å; C415-V426 WeakPolarHBondContact O-CB 3.48Å; C415-V426 PolarHBondContact O-N 3.08Å; C415-V426 WeakPolarHBondContact SG-CB 3.42Å; C415-V426 WeakPolarHBondContact SG-CG2 3.25Å; F417-V426 HydrophobicContact CD1-CG2 4.15Å; F417-V426 HydrophobicContact CE1-CG2 3.67Å
427M93.7Very high92.6Very high22 Ų2220.8 Ų20.811%0.10811%0.109CC..EExtended strand (participates in β ladder)trans-118.1166.3-171.4-55.3175-61.500110.9A376 K378 L401 Q412 L413 F425A376-M427 PolarHBondContact N-O 3.4Å; A376-M427 WeakPolarHBondContact O-CB 3.33Å; A376-M427 PolarHBondContact O-N 3.26Å; K378-M427 HydrophobicContact CB-CE 3.64Å; L401-M427 HydrophobicContact CD1-SD 4.17Å; Q412-M427 CarbonylContact O-C 3.56Å; Q412-M427 VanDerWaalsContact O-CA 3.27Å; Q412-M427 WeakPolarHBondContact O-CA 3.47Å; L413-M427 HydrophobicContact CD1-CG 4.04Å; F425-M427 HydrophobicContact CB-CG 4.15Å; F425-M427 HydrophobicContact CB-SD 4.26Å
428E92.4Very high92.5Very high30 Ų3020.6 Ų20.614%0.1411%0.108CC..EExtended strand (participates in β ladder)trans-59.9137.7171.269.3-179.2156.900111.9T411 Q412 Y414 V430 K488T411-E428 WeakPolarHBondContact CA-OE1 3.17Å; Q412-E428 HydrophobicContact CB-CB 4.26Å; Q412-E428 HydrophobicContact CB-CG 4.08Å; Q412-E428 PolarHBondContact N-OE1 3.25Å; Q412-E428 PolarHBondContact NE2-OE2 2.95Å; Q412-E428 PolarHBondContact O-N 3.19Å; Y414-E428 HydrophobicContact CE2-CB 3.78Å; E428-V430 HydrophobicContact CG-CG2 3.83Å; E428-V430 PolarHBondContact O-N 2.82Å; E428-K488 WeakPolarHBondContact OE1-CE 3.42Å; E428-K488 IonicContact OE1-NZ 2.83Å; E428-K488 PolarHBondContact OE1-NZ 3.49Å; E428-K488 IonicContact OE2-NZ 2.85Å; E428-K488 PolarHBondContact OE2-NZ 3.26Å
429F94.8Very high92.2Very high29 Ų2918.6 Ų18.613%0.12710%0.099CC..  trans-84.1113.5173.4179.1-128.9000110.1L355 L365 V374 A376 N431 P633 V636 F639L355-F429 HydrophobicContact CD1-CD2 3.75Å; L355-F429 HydrophobicContact CD1-CE2 3.53Å; L355-F429 HydrophobicContact CD2-CE2 3.87Å; L355-F429 HydrophobicContact CD2-CZ 4.41Å; L355-F429 HydrophobicContact CG-CE2 4.36Å; L365-F429 HydrophobicContact CD1-CB 4.41Å; L365-F429 HydrophobicContact CD1-CD1 3.66Å; L365-F429 HydrophobicContact CD1-CD2 3.75Å; L365-F429 HydrophobicContact CD1-CE1 3.71Å; L365-F429 HydrophobicContact CD1-CE2 3.85Å; L365-F429 HydrophobicContact CD1-CG 3.66Å; L365-F429 HydrophobicContact CD1-CZ 3.83Å; L365-F429 HydrophobicContact CD2-CE1 4.44Å; L365-F429 HydrophobicContact CD2-CZ 4.29Å; V374-F429 HydrophobicContact CG2-CB 4.39Å; V374-F429 HydrophobicContact CG2-CD1 3.74Å; V374-F429 HydrophobicContact CG2-CG 4.45Å; A376-F429 HydrophobicContact CB-CD2 4.4Å; F429-N431 HydrophobicContact CD1-CB 4.09Å; F429-N431 HydrophobicContact CE1-CB 3.49Å; F429-N431 VanDerWaalsContact CE1-CB 3.49Å; F429-N431 HydrophobicContact CE2-CB 4.33Å; F429-N431 HydrophobicContact CZ-CB 3.62Å; F429-P633 WeakPolarHBondContact CD1-O 3.14Å; F429-P633 WeakPolarHBondContact CE1-O 3.25Å; F429-V636 HydrophobicContact CZ-CG1 4.2Å; F429-F639 AromaticContact CE2-CE2 3.8Å; F429-F639 HydrophobicContact CE2-CE2 3.8Å; F429-F639 AromaticContact CE2-CZ 3.56Å; F429-F639 HydrophobicContact CE2-CZ 3.56Å; F429-F639 AromaticContact CZ-CE2 3.88Å; F429-F639 HydrophobicContact CZ-CE2 3.88Å; F429-F639 HydrophobicContact CZ-CZ 4.13Å
430V94.9Very high92Very high10 Ų1023.6 Ų23.66%0.06112%0.12CC..  trans-105.7101.3-179.2-174.90000108.9T411 E428 L480 L481 D482 K488 F639T411-V430 HydrophobicContact CG2-CG2 4.23Å; E428-V430 HydrophobicContact CG-CG2 3.83Å; E428-V430 PolarHBondContact O-N 2.82Å; V430-L480 HydrophobicContact CB-CB 4.22Å; V430-L480 HydrophobicContact CB-CD1 3.97Å; V430-L480 HydrophobicContact CG1-CB 3.61Å; V430-L480 HydrophobicContact CG1-CD1 4.29Å; V430-L480 HydrophobicContact CG2-CD1 4.4Å; V430-L481 VanDerWaalsContact CG1-C 3.45Å; V430-L481 WeakPolarHBondContact CG1-O 3.47Å; V430-D482 HydrophobicContact CG1-CB 4.25Å; V430-K488 HydrophobicContact CG1-CB 4.32Å; V430-K488 HydrophobicContact CG1-CG 4.32Å; V430-K488 HydrophobicContact CG2-CB 4.41Å; V430-K488 HydrophobicContact CG2-CG 4.31Å; V430-F639 WeakPolarHBondContact O-CZ 2.96Å
431N93.6Very high91.8Very high13 Ų1326.2 Ų26.27%0.0712%0.124CC..THydrogen-bonded Turntrans-99.65.8-164.365.8-11.2000115.9F429 G433 I630 N638F429-N431 HydrophobicContact CD1-CB 4.09Å; F429-N431 HydrophobicContact CE1-CB 3.49Å; F429-N431 VanDerWaalsContact CE1-CB 3.49Å; F429-N431 HydrophobicContact CE2-CB 4.33Å; F429-N431 HydrophobicContact CZ-CB 3.62Å; N431-G433 VanDerWaalsContact C-N 3.27Å; N431-G433 PolarHBondContact O-N 3.06Å; N431-I630 VanDerWaalsContact ND2-CG2 3.3Å; N431-I630 WeakPolarHBondContact ND2-CG2 3.49Å; N431-I630 WeakPolarHBondContact OD1-CD1 3.2Å; N431-N638 PolarHBondContact O-ND2 2.76Å
432G94.3Very high91.8Very high0 Ų027.6 Ų27.60%014%0.136CC..THydrogen-bonded Turntrans-78.3-9.2176.200000113.8H438 L481 N638G432-H438 PolarHBondContact O-CE1 3.38Å; G432-H438 PolarHBondContact O-NE2 3.07Å; G432-L481 CarbonylContact C-O 3.55Å; G432-L481 WeakPolarHBondContact CA-O 3.3Å; G432-L481 PolarHBondContact N-O 3.46Å; G432-N638 WeakPolarHBondContact O-CB 3.4Å
433G92.6Very high91.6Very high1 Ų137 Ų371%0.0117%0.171CC..  trans81.5168.3-174.900000112.7N431 L481 N638N431-G433 VanDerWaalsContact C-N 3.27Å; N431-G433 PolarHBondContact O-N 3.06Å; G433-L481 PolarHBondContact O-N 3.01Å; G433-N638 WeakPolarHBondContact CA-O 3.46Å
434D92.8Very high91.6Very high36 Ų3641.3 Ų41.319%0.19319%0.19CC..BIsolated β-bridgetrans-83.7163.2178.258.874.6000113.1M436 F437 H438 V479 L480D434-M436 PolarHBondContact O-N 3.2Å; D434-M436 WeakPolarHBondContact OD1-CA 2.8Å; D434-M436 WeakPolarHBondContact OD1-CB 2.87Å; D434-M436 PolarHBondContact OD1-N 3.14Å; D434-F437 PolarHBondContact O-N 2.92Å; D434-F437 PolarHBondContact OD1-N 3.45Å; D434-H438 PolarHBondContact O-CD2 3.23Å; D434-H438 PolarHBondContact O-N 3.18Å; D434-V479 CarbonylContact C-O 3.55Å; D434-V479 WeakPolarHBondContact CA-O 3.39Å; D434-L480 HydrophobicContact CB-CD2 3.73Å
435L94.4Very high91.7Very high0 Ų041.7 Ų41.70%019%0.191CC..Hα-helixtrans-64.8-26.6179.3-69.5-171.3000112.7H438 I439 F445 Y453 L476 V479 L481 M541L435-H438 PolarHBondContact O-N 3.46Å; L435-I439 WeakPolarHBondContact O-CB 3.48Å; L435-I439 PolarHBondContact O-N 3.01Å; L435-F445 HydrophobicContact CD2-CE2 4.14Å; L435-F445 HydrophobicContact CD2-CZ 4.41Å; L435-Y453 HydrophobicContact CD1-CD2 4.26Å; L435-Y453 HydrophobicContact CD2-CD2 3.8Å; L435-Y453 HydrophobicContact CD2-CE2 3.67Å; L435-L476 HydrophobicContact CB-CB 4.33Å; L435-L476 HydrophobicContact CB-CD2 3.72Å; L435-L476 HydrophobicContact CD1-CD2 4.31Å; L435-L476 PolarHBondContact N-O 3.42Å; L435-V479 HydrophobicContact CB-CB 4.47Å; L435-V479 HydrophobicContact CD1-CB 3.73Å; L435-V479 HydrophobicContact CD1-CG1 3.56Å; L435-V479 HydrophobicContact CD1-CG2 4.37Å; L435-V479 HydrophobicContact CG-CB 3.85Å; L435-V479 HydrophobicContact CG-CG1 3.81Å; L435-V479 PolarHBondContact N-O 3.42Å; L435-L481 HydrophobicContact CD2-CD1 4.09Å; L435-L481 HydrophobicContact CD2-CD2 3.85Å; L435-L481 HydrophobicContact CD2-CG 3.95Å; L435-M541 HydrophobicContact CD1-SD 4.09Å
436M90.1Very high91.8Very high48 Ų4849.6 Ų49.624%0.23623%0.228CC..Hα-helixtrans-63.3-47.3176.6175.663.277.500110.2D434 H438 I439 Q440 L476D434-M436 PolarHBondContact O-N 3.2Å; D434-M436 WeakPolarHBondContact OD1-CA 2.8Å; D434-M436 WeakPolarHBondContact OD1-CB 2.87Å; D434-M436 PolarHBondContact OD1-N 3.14Å; M436-H438 VanDerWaalsContact C-N 3.32Å; M436-H438 PolarHBondContact O-N 3.07Å; M436-I439 WeakPolarHBondContact O-CG2 3.14Å; M436-I439 PolarHBondContact O-N 2.77Å; M436-I439 HydrophobicContact SD-CG2 4.3Å; M436-Q440 WeakPolarHBondContact O-CB 3.43Å; M436-Q440 VanDerWaalsContact O-CG 3.25Å; M436-Q440 WeakPolarHBondContact O-CG 3.36Å; M436-Q440 PolarHBondContact O-N 3.12Å; M436-Q440 HydrophobicContact SD-CG 4.22Å; M436-L476 HydrophobicContact CB-CB 3.84Å; M436-L476 HydrophobicContact CE-CB 4.16Å; M436-L476 HydrophobicContact CE-CD1 3.99Å; M436-L476 HydrophobicContact SD-CD1 4.29Å
437F86.8Confident91.9Very high30 Ų3052 Ų5213%0.13224%0.239CC..Hα-helixtrans-58.4-42.8174.8176.9-102.2000112.5D434 K441 N638D434-F437 PolarHBondContact O-N 2.92Å; D434-F437 PolarHBondContact OD1-N 3.45Å; F437-K441 HydrophobicContact CE1-CD 4.08Å; F437-K441 HydrophobicContact CZ-CD 4.26Å; F437-K441 PolarHBondContact O-N 3.35Å; F437-N638 HydrophobicContact CD1-CB 4.41Å; F437-N638 HydrophobicContact CE1-CB 3.87Å; F437-N638 HydrophobicContact CZ-CB 4.44Å
438H91.1Very high92.1Very high7 Ų752.8 Ų52.83%0.03225%0.254CS..Hα-helixtrans-70.8-39.4179.7-72.7-65.5000112.8G432 D434 L435 M436 K441 S442 F445 F626G432-H438 PolarHBondContact O-CE1 3.38Å; G432-H438 PolarHBondContact O-NE2 3.07Å; D434-H438 PolarHBondContact O-CD2 3.23Å; D434-H438 PolarHBondContact O-N 3.18Å; L435-H438 PolarHBondContact O-N 3.46Å; M436-H438 VanDerWaalsContact C-N 3.32Å; M436-H438 PolarHBondContact O-N 3.07Å; H438-K441 PolarHBondContact O-N 3.38Å; H438-S442 PolarHBondContact O-N 3.36Å; H438-S442 PolarHBondContact O-OG 2.82Å; H438-F445 HydrophobicContact CB-CE1 4.06Å; H438-F445 HydrophobicContact CB-CZ 3.84Å; H438-F626 AromaticContact CE1-CE1 3.46Å; H438-F626 VanDerWaalsContact CE1-CE1 3.46Å; H438-F626 WeakPolarHBondContact CE1-CE1 3.23Å; H438-F626 AromaticContact CE1-CZ 3.66Å; H438-F626 AromaticContact ND1-CE1 3.52Å; H438-F626 AromaticContact ND1-CZ 3.53Å
439I88.3Confident92.4Very high12 Ų1252.5 Ų52.56%0.06225%0.251CS..Hα-helixtrans-69.4-36.9179.2-154.4172000111L435 M436 K441 S442 R443 F445 L476 E540L435-I439 WeakPolarHBondContact O-CB 3.48Å; L435-I439 PolarHBondContact O-N 3.01Å; M436-I439 WeakPolarHBondContact O-CG2 3.14Å; M436-I439 PolarHBondContact O-N 2.77Å; M436-I439 HydrophobicContact SD-CG2 4.3Å; I439-K441 PolarHBondContact O-N 3.36Å; I439-S442 CarbonylContact O-C 3.54Å; I439-S442 PolarHBondContact O-N 3.37Å; I439-R443 CarbonylContact O-C 3.56Å; I439-R443 WeakPolarHBondContact O-CA 3.39Å; I439-R443 PolarHBondContact O-N 3.02Å; I439-F445 HydrophobicContact CB-CE1 4Å; I439-F445 HydrophobicContact CB-CE2 4.49Å; I439-F445 HydrophobicContact CB-CZ 3.82Å; I439-F445 HydrophobicContact CG1-CD1 4.5Å; I439-F445 HydrophobicContact CG1-CE1 4.17Å; I439-F445 HydrophobicContact CG1-CZ 4.25Å; I439-L476 HydrophobicContact CD1-CD1 4.39Å; I439-L476 HydrophobicContact CG2-CD1 3.85Å; I439-E540 WeakPolarHBondContact CD1-O 3.36Å
440Q85.4Confident92.6Very high136 Ų13651.1 Ų51.164%0.63625%0.245SC*.Hα-helixtrans-59.5-34.5174.9-74175.74.900112.3M436M436-Q440 WeakPolarHBondContact O-CB 3.43Å; M436-Q440 VanDerWaalsContact O-CG 3.25Å; M436-Q440 WeakPolarHBondContact O-CG 3.36Å; M436-Q440 PolarHBondContact O-N 3.12Å; M436-Q440 HydrophobicContact SD-CG 4.22Å
441K85.3Confident92.7Very high134 Ų13453.6 Ų53.658%0.58325%0.254SS*.Hα-helixtrans-76.4-41.1174.9-72.7-179.2174.5-179.60113.2F437 H438 I439F437-K441 HydrophobicContact CE1-CD 4.08Å; F437-K441 HydrophobicContact CZ-CD 4.26Å; F437-K441 PolarHBondContact O-N 3.35Å; H438-K441 PolarHBondContact O-N 3.38Å; I439-K441 PolarHBondContact O-N 3.36Å
442S88.4Confident93Very high58 Ų5853.5 Ų53.541%0.40625%0.252SS..Hα-helixtrans-88.2-11.1-176.3-64.20000114H438 I439 K444H438-S442 PolarHBondContact O-N 3.36Å; H438-S442 PolarHBondContact O-OG 2.82Å; I439-S442 CarbonylContact O-C 3.54Å; I439-S442 PolarHBondContact O-N 3.37Å; S442-K444 WeakPolarHBondContact CB-O 3.28Å; S442-K444 PolarHBondContact O-N 3.02Å
443R88.1Confident93.2Very high211 Ų21153.5 Ų53.580%0.79625%0.252SS*.SBendtrans63.6-46.5-165.5-55.3-177.4177.6-170.2-1.5114.4I439 G544I439-R443 CarbonylContact O-C 3.56Å; I439-R443 WeakPolarHBondContact O-CA 3.39Å; I439-R443 PolarHBondContact O-N 3.02Å; R443-G544 WeakPolarHBondContact O-CA 3.41Å
444K92.8Very high93.5Very high91 Ų9153.4 Ų53.440%0.39625%0.252SS..SBendtrans-149.7163.6171.963.1176.4179.9178.20109.5S442 L542S442-K444 WeakPolarHBondContact CB-O 3.28Å; S442-K444 PolarHBondContact O-N 3.02Å; K444-L542 WeakPolarHBondContact CD-O 3.28Å
445F97.1Very high93.8Very high8 Ų851.7 Ų51.74%0.03524%0.243CC..  trans-94.8150173.2-60.1-24.9000111.3L435 H438 I439 R449 A450 Y453 M541L435-F445 HydrophobicContact CD2-CE2 4.14Å; L435-F445 HydrophobicContact CD2-CZ 4.41Å; H438-F445 HydrophobicContact CB-CE1 4.06Å; H438-F445 HydrophobicContact CB-CZ 3.84Å; I439-F445 HydrophobicContact CB-CE1 4Å; I439-F445 HydrophobicContact CB-CE2 4.49Å; I439-F445 HydrophobicContact CB-CZ 3.82Å; I439-F445 HydrophobicContact CG1-CD1 4.5Å; I439-F445 HydrophobicContact CG1-CE1 4.17Å; I439-F445 HydrophobicContact CG1-CZ 4.25Å; F445-R449 HydrophobicContact CB-CB 4.34Å; F445-R449 HydrophobicContact CB-CG 4.27Å; F445-R449 HydrophobicContact CG-CG 4.34Å; F445-A450 HydrophobicContact CB-CB 4.46Å; F445-Y453 HydrophobicContact CD2-CD2 4.21Å; F445-Y453 HydrophobicContact CD2-CE2 4.26Å; F445-Y453 HydrophobicContact CE2-CD2 4.17Å; F445-Y453 HydrophobicContact CE2-CE2 4.08Å; F445-M541 HydrophobicContact CD2-CB 3.9Å; F445-M541 HydrophobicContact CD2-CG 3.67Å; F445-M541 HydrophobicContact CD2-SD 3.79Å; F445-M541 HydrophobicContact CE2-CG 3.93Å; F445-M541 HydrophobicContact CE2-SD 4.03Å; F445-M541 PolarHBondContact N-O 3.02Å
446E96.8Very high94Very high165 Ų16551.7 Ų51.777%0.77124%0.243SC*.  trans-67.7150.2167.4-64.2-174.7173.200109.9G448 R449 A450E446-G448 VanDerWaalsContact C-N 3.27Å; E446-G448 PolarHBondContact O-N 3.03Å; E446-R449 WeakPolarHBondContact O-CA 3.29Å; E446-R449 WeakPolarHBondContact O-CB 3.42Å; E446-R449 PolarHBondContact O-N 3.39Å; E446-A450 PolarHBondContact O-N 3.43Å
447E97.2Very high94.4Very high50 Ų5049.5 Ų49.523%0.23423%0.232CC..Hα-helixtrans-58.1-38.2-172.9-170.3179.3128.400112.8R449 A450 R451 L542 S572 F608E447-R449 VanDerWaalsContact C-N 3.3Å; E447-R449 PolarHBondContact O-N 3.03Å; E447-A450 PolarHBondContact O-N 3.15Å; E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 PolarHBondContact O-N 3.22Å; E447-R451 IonicContact OE1-CZ 3.64Å; E447-R451 IonicContact OE1-NH2 2.65Å; E447-R451 PolarHBondContact OE1-NH2 3.4Å; E447-L542 HydrophobicContact CB-CD2 4.17Å; E447-L542 HydrophobicContact CG-CD2 4.08Å; E447-S572 PolarHBondContact OE1-OG 2.82Å; E447-S572 VanDerWaalsContact OE1-OG 3.05Å; E447-S572 WeakPolarHBondContact OE2-CB 3.25Å; E447-S572 PolarHBondContact OE2-OG 2.9Å; E447-F608 HydrophobicContact CG-CE2 3.91Å; E447-F608 HydrophobicContact CG-CZ 4.44Å
448G97.6Very high94.9Very high40 Ų4048 Ų4841%0.41223%0.225SC..Hα-helixtrans-61-38.4175.700000113E446 F452E446-G448 VanDerWaalsContact C-N 3.27Å; E446-G448 PolarHBondContact O-N 3.03Å; G448-F452 WeakPolarHBondContact O-CB 3.42Å; G448-F452 PolarHBondContact O-N 2.66Å; G448-F452 VanDerWaalsContact O-N 3.1Å
449R97.9Very high95.3Very high24 Ų2448.1 Ų48.19%0.09123%0.227CC..Hα-helixtrans-70.2-46.6175.7-179.5174.9-173.9-161.7-3.8111.7F445 E446 E447 R451 F452 Y453 P625F445-R449 HydrophobicContact CB-CB 4.34Å; F445-R449 HydrophobicContact CB-CG 4.27Å; F445-R449 HydrophobicContact CG-CG 4.34Å; E446-R449 WeakPolarHBondContact O-CA 3.29Å; E446-R449 WeakPolarHBondContact O-CB 3.42Å; E446-R449 PolarHBondContact O-N 3.39Å; E447-R449 VanDerWaalsContact C-N 3.3Å; E447-R449 PolarHBondContact O-N 3.03Å; R449-R451 VanDerWaalsContact C-N 3.34Å; R449-R451 PolarHBondContact O-N 3.05Å; R449-F452 PolarHBondContact O-N 3.47Å; R449-Y453 HydrophobicContact CG-CD2 4.02Å; R449-Y453 HydrophobicContact CG-CE2 3.48Å; R449-Y453 VanDerWaalsContact CG-CE2 3.48Å; R449-Y453 PolarHBondContact NE-OH 3.38Å; R449-Y453 PolarHBondContact NH2-OH 3.28Å; R449-Y453 VanDerWaalsContact NH2-OH 3.15Å; R449-Y453 PolarHBondContact O-N 3.21Å; R449-Y453 VanDerWaalsContact O-N 3.09Å; R449-P625 HydrophobicContact CB-CB 4.35Å; R449-P625 HydrophobicContact CB-CG 4.03Å; R449-P625 HydrophobicContact CG-CG 4.06Å
450A98.3Very high95.8Very high0 Ų047.6 Ų47.60%022%0.224CC..Hα-helixtrans-61.3-42.2176.800000111.8F445 E446 E447 Y453 T454 L538 M541 L542F445-A450 HydrophobicContact CB-CB 4.46Å; E446-A450 PolarHBondContact O-N 3.43Å; E447-A450 PolarHBondContact O-N 3.15Å; A450-Y453 PolarHBondContact O-N 3.08Å; A450-T454 VanDerWaalsContact O-CB 3.3Å; A450-T454 WeakPolarHBondContact O-CB 3.49Å; A450-T454 PolarHBondContact O-N 3.28Å; A450-T454 PolarHBondContact O-OG1 3.25Å; A450-L538 HydrophobicContact CB-CD1 4.15Å; A450-M541 HydrophobicContact CB-CB 3.97Å; A450-M541 HydrophobicContact CB-CE 4.21Å; A450-L542 HydrophobicContact CB-CD2 3.66Å; A450-L542 HydrophobicContact CB-CG 4.12Å
451R98.6Very high96.4Very high62 Ų6241.1 Ų41.123%0.23419%0.194CC..Hα-helixtrans-60.5-46.4175.9-175.7-171.2-59.7133.74.3112E447 R449 T454 A455 F608 F609 I612E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 PolarHBondContact O-N 3.22Å; E447-R451 IonicContact OE1-CZ 3.64Å; E447-R451 IonicContact OE1-NH2 2.65Å; E447-R451 PolarHBondContact OE1-NH2 3.4Å; R449-R451 VanDerWaalsContact C-N 3.34Å; R449-R451 PolarHBondContact O-N 3.05Å; R451-T454 PolarHBondContact O-N 3.15Å; R451-A455 WeakPolarHBondContact O-CB 3.43Å; R451-A455 PolarHBondContact O-N 2.65Å; R451-F608 HydrophobicContact CB-CE1 3.9Å; R451-F608 HydrophobicContact CB-CZ 3.85Å; R451-F608 WeakPolarHBondContact CD-O 3.4Å; R451-F608 HydrophobicContact CG-CD1 4.26Å; R451-F608 HydrophobicContact CG-CE1 3.93Å; R451-F608 HydrophobicContact CG-CZ 4.26Å; R451-F608 WeakPolarHBondContact CG-O 3.08Å; R451-F608 PolarHBondContact NE-O 2.86Å; R451-F609 HydrophobicContact CG-CD1 4.24Å; R451-I612 HydrophobicContact CG-CG1 4.41Å
452F98.6Very high96.9Very high10 Ų1036.6 Ų36.64%0.04418%0.175CC..Hα-helixtrans-59.7-52.7178.1-179.8-93.8000111.3G448 R449 T454 A455 E456 H486 L617 I622 P624 P625G448-F452 WeakPolarHBondContact O-CB 3.42Å; G448-F452 PolarHBondContact O-N 2.66Å; G448-F452 VanDerWaalsContact O-N 3.1Å; R449-F452 PolarHBondContact O-N 3.47Å; F452-T454 PolarHBondContact O-N 3.19Å; F452-A455 WeakPolarHBondContact O-CB 3.49Å; F452-A455 PolarHBondContact O-N 3.24Å; F452-A455 VanDerWaalsContact O-N 3.15Å; F452-E456 VanDerWaalsContact CE1-CD 3.41Å; F452-E456 HydrophobicContact CE1-CG 4.2Å; F452-E456 WeakPolarHBondContact CE1-OE1 3.35Å; F452-E456 WeakPolarHBondContact CE1-OE2 3.38Å; F452-E456 HydrophobicContact CZ-CG 4.32Å; F452-E456 WeakPolarHBondContact CZ-OE1 3.43Å; F452-E456 PolarHBondContact O-N 2.84Å; F452-E456 VanDerWaalsContact O-N 3.13Å; F452-H486 AromaticContact CZ-ND1 3.86Å; F452-L617 HydrophobicContact CE2-CD1 4.15Å; F452-I622 HydrophobicContact CD2-CG2 4.09Å; F452-I622 HydrophobicContact CE2-CB 4.06Å; F452-I622 HydrophobicContact CE2-CG2 3.64Å; F452-P624 HydrophobicContact CE1-CB 3.92Å; F452-P624 HydrophobicContact CE1-CG 4.18Å; F452-P624 HydrophobicContact CZ-CB 4.08Å; F452-P624 HydrophobicContact CZ-CG 3.98Å; F452-P625 HydrophobicContact CB-CG 3.88Å; F452-P625 HydrophobicContact CD1-CG 4Å; F452-P625 VanDerWaalsContact CG-CD 3.48Å; F452-P625 HydrophobicContact CG-CG 3.98Å
453Y98.8Very high97.4Very high0 Ų035.5 Ų35.50%016%0.163CC..Hα-helixtrans-63.5-40.2179.1-63.8-28000112.6L435 F445 R449 A450 A455 E456 I457 L481 G485 C487 M541L435-Y453 HydrophobicContact CD1-CD2 4.26Å; L435-Y453 HydrophobicContact CD2-CD2 3.8Å; L435-Y453 HydrophobicContact CD2-CE2 3.67Å; F445-Y453 HydrophobicContact CD2-CD2 4.21Å; F445-Y453 HydrophobicContact CD2-CE2 4.26Å; F445-Y453 HydrophobicContact CE2-CD2 4.17Å; F445-Y453 HydrophobicContact CE2-CE2 4.08Å; R449-Y453 HydrophobicContact CG-CD2 4.02Å; R449-Y453 HydrophobicContact CG-CE2 3.48Å; R449-Y453 VanDerWaalsContact CG-CE2 3.48Å; R449-Y453 PolarHBondContact NE-OH 3.38Å; R449-Y453 PolarHBondContact NH2-OH 3.28Å; R449-Y453 VanDerWaalsContact NH2-OH 3.15Å; R449-Y453 PolarHBondContact O-N 3.21Å; R449-Y453 VanDerWaalsContact O-N 3.09Å; A450-Y453 PolarHBondContact O-N 3.08Å; Y453-A455 VanDerWaalsContact C-N 3.26Å; Y453-A455 PolarHBondContact O-N 2.93Å; Y453-E456 PolarHBondContact O-N 2.72Å; Y453-I457 WeakPolarHBondContact O-CD1 3.48Å; Y453-I457 WeakPolarHBondContact O-CG1 3.34Å; Y453-I457 PolarHBondContact O-N 2.97Å; Y453-L481 HydrophobicContact CD1-CD2 4.37Å; Y453-L481 HydrophobicContact CE1-CD2 3.8Å; Y453-L481 WeakPolarHBondContact OH-CD1 3.48Å; Y453-G485 WeakPolarHBondContact CE1-O 3.28Å; Y453-C487 WeakPolarHBondContact CD1-SG 3.18Å; Y453-M541 HydrophobicContact CD2-SD 4.13Å
454T98.8Very high97.8Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-61.1-37.2176.1-53.20000111.3A450 R451 F452 T458 L534 L538 M541 F609A450-T454 VanDerWaalsContact O-CB 3.3Å; A450-T454 WeakPolarHBondContact O-CB 3.49Å; A450-T454 PolarHBondContact O-N 3.28Å; A450-T454 PolarHBondContact O-OG1 3.25Å; R451-T454 PolarHBondContact O-N 3.15Å; F452-T454 PolarHBondContact O-N 3.19Å; T454-T458 VanDerWaalsContact O-CB 3.28Å; T454-T458 WeakPolarHBondContact O-CB 3.28Å; T454-T458 PolarHBondContact O-N 3.22Å; T454-T458 PolarHBondContact O-OG1 3.42Å; T454-L534 HydrophobicContact CG2-CD1 3.96Å; T454-L534 HydrophobicContact CG2-CD2 4.26Å; T454-L534 HydrophobicContact CG2-CG 4.18Å; T454-L538 HydrophobicContact CG2-CD2 4.35Å; T454-L538 WeakPolarHBondContact OG1-CD1 3.48Å; T454-M541 WeakPolarHBondContact OG1-CE 3.12Å; T454-F609 HydrophobicContact CG2-CE1 4.04Å; T454-F609 HydrophobicContact CG2-CZ 3.82Å
455A98.8Very high98Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-66.4-44.7176.700000111.9R451 F452 Y453 T458 S459 F609 I612 W614 L617R451-A455 WeakPolarHBondContact O-CB 3.43Å; R451-A455 PolarHBondContact O-N 2.65Å; F452-A455 WeakPolarHBondContact O-CB 3.49Å; F452-A455 PolarHBondContact O-N 3.24Å; F452-A455 VanDerWaalsContact O-N 3.15Å; Y453-A455 VanDerWaalsContact C-N 3.26Å; Y453-A455 PolarHBondContact O-N 2.93Å; A455-T458 WeakPolarHBondContact O-CB 3.5Å; A455-T458 PolarHBondContact O-N 3.41Å; A455-S459 PolarHBondContact O-N 2.91Å; A455-F609 HydrophobicContact CB-CD1 4.04Å; A455-F609 HydrophobicContact CB-CE1 3.95Å; A455-I612 HydrophobicContact CB-CG1 4.48Å; A455-I612 HydrophobicContact CB-CG2 4.18Å; A455-W614 HydrophobicContact CB-CH2 3.9Å; A455-W614 HydrophobicContact CB-CZ3 4.03Å; A455-W614 WeakPolarHBondContact O-CZ3 2.87Å; A455-L617 HydrophobicContact CB-CD1 4.49Å; A455-L617 HydrophobicContact CB-CD2 3.73Å
456E98.7Very high97.9Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-64-42.2177.3-62.7-165.1141.900112.1Y409 F452 Y453 S459 A460 H486 C487 L617Y409-E456 HydrophobicContact CD1-CB 4.1Å; Y409-E456 HydrophobicContact CD1-CG 4.31Å; Y409-E456 HydrophobicContact CD2-CB 4.1Å; Y409-E456 HydrophobicContact CE1-CB 4.05Å; Y409-E456 HydrophobicContact CE1-CG 3.76Å; Y409-E456 WeakPolarHBondContact CE1-OE1 3.29Å; Y409-E456 HydrophobicContact CE2-CB 4.07Å; Y409-E456 HydrophobicContact CE2-CG 4.02Å; Y409-E456 HydrophobicContact CG-CB 4.1Å; Y409-E456 PolarHBondContact OH-OE1 2.8Å; F452-E456 VanDerWaalsContact CE1-CD 3.41Å; F452-E456 HydrophobicContact CE1-CG 4.2Å; F452-E456 WeakPolarHBondContact CE1-OE1 3.35Å; F452-E456 WeakPolarHBondContact CE1-OE2 3.38Å; F452-E456 HydrophobicContact CZ-CG 4.32Å; F452-E456 WeakPolarHBondContact CZ-OE1 3.43Å; F452-E456 PolarHBondContact O-N 2.84Å; F452-E456 VanDerWaalsContact O-N 3.13Å; Y453-E456 PolarHBondContact O-N 2.72Å; E456-S459 PolarHBondContact O-N 3.22Å; E456-A460 PolarHBondContact O-N 3.47Å; E456-H486 IonicContact OE1-CE1 2.79Å; E456-H486 IonicContact OE1-CG 3.24Å; E456-H486 IonicContact OE1-ND1 3.06Å; E456-H486 PolarHBondContact OE1-ND1 3.3Å; E456-H486 WeakPolarHBondContact OE2-CA 3.15Å; E456-H486 IonicContact OE2-ND1 3.45Å; E456-C487 HydrophobicContact CB-CB 4.03Å; E456-C487 WeakPolarHBondContact OE2-CB 3.46Å; E456-C487 PolarHBondContact OE2-N 2.88Å; E456-L617 HydrophobicContact CG-CD1 3.83Å; E456-L617 HydrophobicContact CG-CG 4.35Å
457I98.7Very high97.9Very high1 Ų120.8 Ų20.81%0.00511%0.113CC..Hα-helixtrans-64.6-41.7175.3-62.5161.8000110.5Y453 S459 A460 L461 L474 V479 L489 L534 L537Y453-I457 WeakPolarHBondContact O-CD1 3.48Å; Y453-I457 WeakPolarHBondContact O-CG1 3.34Å; Y453-I457 PolarHBondContact O-N 2.97Å; I457-S459 VanDerWaalsContact C-N 3.34Å; I457-S459 PolarHBondContact O-N 2.79Å; I457-A460 WeakPolarHBondContact O-CB 3.48Å; I457-A460 PolarHBondContact O-N 3.05Å; I457-L461 HydrophobicContact CG2-CD1 4.03Å; I457-L461 HydrophobicContact CG2-CG 4.26Å; I457-L461 WeakPolarHBondContact O-CG 3.12Å; I457-L461 PolarHBondContact O-N 3.45Å; I457-L474 HydrophobicContact CG2-CD1 3.87Å; I457-L474 HydrophobicContact CG2-CD2 4.14Å; I457-V479 HydrophobicContact CD1-CG1 4.06Å; I457-V479 HydrophobicContact CD1-CG2 4.04Å; I457-V479 HydrophobicContact CG1-CG1 4.2Å; I457-V479 HydrophobicContact CG1-CG2 4.44Å; I457-L489 HydrophobicContact CG1-CD2 4.29Å; I457-L489 HydrophobicContact CG2-CD2 4.33Å; I457-L534 HydrophobicContact CB-CD1 4.15Å; I457-L534 HydrophobicContact CG2-CD1 3.67Å; I457-L537 HydrophobicContact CD1-CD1 4.36Å; I457-L537 HydrophobicContact CD1-CD2 3.97Å
458T98.7Very high97.8Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-58.3-47.5176.1-62.10000110.7T454 A455 A460 L461 M462 W531 V603 I604 W614T454-T458 VanDerWaalsContact O-CB 3.28Å; T454-T458 WeakPolarHBondContact O-CB 3.28Å; T454-T458 PolarHBondContact O-N 3.22Å; T454-T458 PolarHBondContact O-OG1 3.42Å; A455-T458 WeakPolarHBondContact O-CB 3.5Å; A455-T458 PolarHBondContact O-N 3.41Å; T458-A460 VanDerWaalsContact C-N 3.32Å; T458-A460 PolarHBondContact O-N 3.38Å; T458-L461 PolarHBondContact O-N 2.88Å; T458-M462 HydrophobicContact CG2-CG 4.35Å; T458-M462 HydrophobicContact CG2-SD 4Å; T458-M462 WeakPolarHBondContact O-CG 3.44Å; T458-M462 PolarHBondContact O-N 3.44Å; T458-W531 HydrophobicContact CG2-CH2 4.03Å; T458-W531 HydrophobicContact CG2-CZ3 4.05Å; T458-V603 HydrophobicContact CG2-CG1 3.73Å; T458-I604 HydrophobicContact CG2-CG2 4.1Å; T458-W614 HydrophobicContact CG2-CH2 3.95Å; T458-W614 HydrophobicContact CG2-CZ3 4.12Å
459S98.4Very high97.8Very high9 Ų916.7 Ų16.76%0.0638%0.083CC..Hα-helixtrans-56.9-45.7176.2170.20000111.8H407 A455 E456 I457 F463 N618H407-S459 PolarHBondContact CE1-OG 3.45Å; H407-S459 VanDerWaalsContact CE1-OG 3.27Å; H407-S459 PolarHBondContact NE2-OG 3.35Å; A455-S459 PolarHBondContact O-N 2.91Å; E456-S459 PolarHBondContact O-N 3.22Å; I457-S459 VanDerWaalsContact C-N 3.34Å; I457-S459 PolarHBondContact O-N 2.79Å; S459-F463 PolarHBondContact O-N 3.02Å; S459-F463 VanDerWaalsContact O-N 3.09Å; S459-N618 WeakPolarHBondContact CB-OD1 3.48Å; S459-N618 PolarHBondContact OG-OD1 2.88Å
460A98.2Very high97.8Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-62.7-43.917700000113.6L410 E456 I457 T458 F463 L464 L489L410-A460 HydrophobicContact CD2-CB 3.78Å; L410-A460 HydrophobicContact CG-CB 4.45Å; E456-A460 PolarHBondContact O-N 3.47Å; I457-A460 WeakPolarHBondContact O-CB 3.48Å; I457-A460 PolarHBondContact O-N 3.05Å; T458-A460 VanDerWaalsContact C-N 3.32Å; T458-A460 PolarHBondContact O-N 3.38Å; A460-F463 PolarHBondContact O-N 2.87Å; A460-L464 WeakPolarHBondContact O-CG 3.35Å; A460-L464 PolarHBondContact O-N 2.8Å; A460-L464 VanDerWaalsContact O-N 3.1Å; A460-L489 HydrophobicContact CB-CD1 3.68Å; A460-L489 HydrophobicContact CB-CG 4.15Å
461L98.3Very high97.7Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-66.3-45.6178.5-70.3175.5000111.8I457 T458 F463 L464 H465 Y471 L474 L489 D530 W531 L534I457-L461 HydrophobicContact CG2-CD1 4.03Å; I457-L461 HydrophobicContact CG2-CG 4.26Å; I457-L461 WeakPolarHBondContact O-CG 3.12Å; I457-L461 PolarHBondContact O-N 3.45Å; T458-L461 PolarHBondContact O-N 2.88Å; L461-F463 VanDerWaalsContact C-N 3.26Å; L461-F463 PolarHBondContact O-N 3.19Å; L461-L464 PolarHBondContact O-N 2.93Å; L461-L464 VanDerWaalsContact O-N 3.08Å; L461-H465 PolarHBondContact O-CD2 3.36Å; L461-H465 VanDerWaalsContact O-CD2 3.32Å; L461-H465 PolarHBondContact O-N 3.22Å; L461-Y471 HydrophobicContact CD2-CG 4.4Å; L461-L474 HydrophobicContact CD1-CD2 4.19Å; L461-L489 HydrophobicContact CD2-CD1 4.4Å; L461-D530 HydrophobicContact CD1-CB 4.38Å; L461-D530 HydrophobicContact CD2-CB 4.2Å; L461-W531 HydrophobicContact CB-CH2 4.42Å; L461-W531 HydrophobicContact CD1-CZ3 4.4Å; L461-L534 HydrophobicContact CD1-CB 4.45Å; L461-L534 HydrophobicContact CD1-CD2 4.36Å
462M97.3Very high97.5Very high39 Ų3914 Ų1419%0.1927%0.073CC..Hα-helixtrans-58.8-39.6176.5-70.1-17973.800111.5T458 S466 W531 E600 I604T458-M462 HydrophobicContact CG2-CG 4.35Å; T458-M462 HydrophobicContact CG2-SD 4Å; T458-M462 WeakPolarHBondContact O-CG 3.44Å; T458-M462 PolarHBondContact O-N 3.44Å; M462-S466 WeakPolarHBondContact O-CB 3.23Å; M462-S466 PolarHBondContact O-N 2.97Å; M462-W531 HydrophobicContact CG-CH2 3.83Å; M462-W531 HydrophobicContact CG-CZ2 4.15Å; M462-E600 HydrophobicContact CE-CB 4.01Å; M462-I604 HydrophobicContact CE-CG2 4.3Å; M462-I604 HydrophobicContact SD-CG2 3.52Å; M462-I604 VanDerWaalsContact SD-CG2 3.52Å
463F97.4Very high97.2Very high36 Ų3614 Ų1416%0.1587%0.074CC..Hα-helixtrans-60.1-50.4172.8171.9-97.5000111.4L403 C406 H407 L410 S459 A460 L461 H465 S466 Q467L403-F463 HydrophobicContact CG-CZ 4.43Å; C406-F463 HydrophobicContact CB-CZ 4.18Å; H407-F463 HydrophobicContact CB-CD1 3.88Å; H407-F463 HydrophobicContact CB-CE1 4.04Å; H407-F463 HydrophobicContact CB-CG 4.14Å; H407-F463 HydrophobicContact CB-CZ 4.44Å; H407-F463 AromaticContact CD2-CD2 3.94Å; H407-F463 AromaticContact CD2-CG 3.63Å; H407-F463 AromaticContact CG-CG 3.98Å; L410-F463 HydrophobicContact CD1-CD1 3.69Å; L410-F463 HydrophobicContact CD1-CE1 3.86Å; S459-F463 PolarHBondContact O-N 3.02Å; S459-F463 VanDerWaalsContact O-N 3.09Å; A460-F463 PolarHBondContact O-N 2.87Å; L461-F463 VanDerWaalsContact C-N 3.26Å; L461-F463 PolarHBondContact O-N 3.19Å; F463-H465 PolarHBondContact O-N 2.91Å; F463-S466 WeakPolarHBondContact O-CB 3.45Å; F463-S466 PolarHBondContact O-N 3.14Å; F463-S466 PolarHBondContact O-OG 3.05Å; F463-Q467 HydrophobicContact CE1-CG 4.43Å; F463-Q467 HydrophobicContact CE2-CG 4.28Å; F463-Q467 HydrophobicContact CZ-CG 4.15Å; F463-Q467 WeakPolarHBondContact O-CG 3.34Å; F463-Q467 PolarHBondContact O-N 3.43Å
464L97.2Very high97.1Very high1 Ų114.1 Ų14.11%0.0057%0.074CC..Hα-helixtrans-59.4-46.4178.5-69.2173.4000112V400 L410 A460 L461 S466 Q467 G468 I469 Y471 F492V400-L464 HydrophobicContact CG1-CD2 4.26Å; L410-L464 HydrophobicContact CD1-CD2 3.89Å; L410-L464 HydrophobicContact CD1-CG 4.24Å; L410-L464 HydrophobicContact CD2-CD1 4.29Å; A460-L464 WeakPolarHBondContact O-CG 3.35Å; A460-L464 PolarHBondContact O-N 2.8Å; A460-L464 VanDerWaalsContact O-N 3.1Å; L461-L464 PolarHBondContact O-N 2.93Å; L461-L464 VanDerWaalsContact O-N 3.08Å; L464-S466 VanDerWaalsContact C-N 3.31Å; L464-S466 PolarHBondContact O-N 2.98Å; L464-Q467 CarbonylContact O-C 3.55Å; L464-Q467 WeakPolarHBondContact O-CA 3.3Å; L464-Q467 WeakPolarHBondContact O-CB 3.12Å; L464-Q467 PolarHBondContact O-N 3.08Å; L464-G468 PolarHBondContact O-N 2.93Å; L464-I469 CarbonylContact C-O 3.59Å; L464-I469 VanDerWaalsContact C-O 3.26Å; L464-I469 HydrophobicContact CB-CB 4.23Å; L464-I469 HydrophobicContact CB-CG2 4.46Å; L464-I469 HydrophobicContact CD2-CB 4.42Å; L464-I469 HydrophobicContact CD2-CD1 4.34Å; L464-I469 HydrophobicContact CD2-CG2 4.23Å; L464-I469 WeakPolarHBondContact O-CB 3.34Å; L464-I469 PolarHBondContact O-N 2.77Å; L464-Y471 HydrophobicContact CD1-CD2 3.87Å; L464-Y471 HydrophobicContact CD1-CG 4.37Å; L464-F492 HydrophobicContact CD1-CE1 4.27Å; L464-F492 HydrophobicContact CD2-CE1 4.45Å
465H96.8Very high96.9Very high14 Ų1415.7 Ų15.77%0.0658%0.081CC..Hα-helixtrans-62.5-38178.8-61.8174.3000111.8L461 F463 Q467 G468 I469 D530 W531 E600L461-H465 PolarHBondContact O-CD2 3.36Å; L461-H465 VanDerWaalsContact O-CD2 3.32Å; L461-H465 PolarHBondContact O-N 3.22Å; F463-H465 PolarHBondContact O-N 2.91Å; H465-Q467 PolarHBondContact O-N 3.28Å; H465-G468 WeakPolarHBondContact O-CA 3.49Å; H465-G468 PolarHBondContact O-N 3.43Å; H465-I469 PolarHBondContact CD2-O 3.06Å; H465-I469 PolarHBondContact N-O 3.34Å; H465-D530 IonicContact CD2-OD2 3.03Å; H465-D530 IonicContact NE2-OD2 2.78Å; H465-D530 PolarHBondContact NE2-OD2 2.87Å; H465-D530 VanDerWaalsContact NE2-OD2 3.12Å; H465-W531 AromaticContact CE1-CE2 3.84Å; H465-W531 AromaticContact CE1-CZ2 3.92Å; H465-W531 AromaticContact CE1-NE1 3.82Å; H465-W531 AromaticContact ND1-CZ2 3.83Å; H465-W531 AromaticContact ND1-NE1 3.96Å; H465-E600 WeakPolarHBondContact CB-OE1 3.33Å; H465-E600 IonicContact CE1-OE1 3.27Å; H465-E600 IonicContact CG-OE1 2.95Å; H465-E600 IonicContact ND1-OE1 3.88Å; H465-E600 PolarHBondContact ND1-OE1 2.81Å; H465-E600 IonicContact ND1-OE2 2.69Å
466S95.3Very high96.5Very high70 Ų7015.8 Ų15.849%0.498%0.082SC..Hα-helixtrans-62.2-25.4174.382.10000113.2M462 F463 L464 G468M462-S466 WeakPolarHBondContact O-CB 3.23Å; M462-S466 PolarHBondContact O-N 2.97Å; F463-S466 WeakPolarHBondContact O-CB 3.45Å; F463-S466 PolarHBondContact O-N 3.14Å; F463-S466 PolarHBondContact O-OG 3.05Å; L464-S466 VanDerWaalsContact C-N 3.31Å; L464-S466 PolarHBondContact O-N 2.98Å; S466-G468 VanDerWaalsContact C-N 3.33Å
467Q95.9Very high96.1Very high80 Ų8019.3 Ų19.337%0.37410%0.1SC..THydrogen-bonded Turntrans-93.18.1174.8-57-56.3-62.500112.4L403 F463 L464 H465 I469 F500L403-Q467 HydrophobicContact CD2-CB 3.72Å; L403-Q467 HydrophobicContact CD2-CG 3.74Å; F463-Q467 HydrophobicContact CE1-CG 4.43Å; F463-Q467 HydrophobicContact CE2-CG 4.28Å; F463-Q467 HydrophobicContact CZ-CG 4.15Å; F463-Q467 WeakPolarHBondContact O-CG 3.34Å; F463-Q467 PolarHBondContact O-N 3.43Å; L464-Q467 CarbonylContact O-C 3.55Å; L464-Q467 WeakPolarHBondContact O-CA 3.3Å; L464-Q467 WeakPolarHBondContact O-CB 3.12Å; L464-Q467 PolarHBondContact O-N 3.08Å; H465-Q467 PolarHBondContact O-N 3.28Å; Q467-I469 VanDerWaalsContact C-N 3.33Å; Q467-I469 HydrophobicContact CB-CD1 4.01Å; Q467-I469 HydrophobicContact CB-CG1 4.37Å; Q467-F500 WeakPolarHBondContact O-CZ 3.43Å
468G96.2Very high95.9Very high1 Ų120 Ų201%0.0110%0.104CC..THydrogen-bonded Turntrans68.730.8-179.700000113.3L464 H465 S466 E497 G498 I499 F500L464-G468 PolarHBondContact O-N 2.93Å; H465-G468 WeakPolarHBondContact O-CA 3.49Å; H465-G468 PolarHBondContact O-N 3.43Å; S466-G468 VanDerWaalsContact C-N 3.33Å; G468-E497 CarbonylContact O-C 3.56Å; G468-G498 PolarHBondContact O-N 3.29Å; G468-I499 WeakPolarHBondContact CA-O 3.27Å; G468-I499 PolarHBondContact O-N 3.27Å; G468-F500 VanDerWaalsContact CA-CE1 3.4Å; G468-F500 VanDerWaalsContact N-CZ 3.34Å
469I97Very high95.9Very high4 Ų420 Ų202%0.02110%0.104CC..  trans-112.6124-179.7-60.1164.6000108.8V400 L403 L464 H465 Q467 C495 K496 E497V400-I469 HydrophobicContact CG1-CD1 4.29Å; V400-I469 HydrophobicContact CG1-CG2 4.34Å; V400-I469 HydrophobicContact CG2-CD1 4.06Å; V400-I469 HydrophobicContact CG2-CG2 4.19Å; L403-I469 HydrophobicContact CD2-CD1 3.65Å; L464-I469 CarbonylContact C-O 3.59Å; L464-I469 VanDerWaalsContact C-O 3.26Å; L464-I469 HydrophobicContact CB-CB 4.23Å; L464-I469 HydrophobicContact CB-CG2 4.46Å; L464-I469 HydrophobicContact CD2-CB 4.42Å; L464-I469 HydrophobicContact CD2-CD1 4.34Å; L464-I469 HydrophobicContact CD2-CG2 4.23Å; L464-I469 WeakPolarHBondContact O-CB 3.34Å; L464-I469 PolarHBondContact O-N 2.77Å; H465-I469 PolarHBondContact CD2-O 3.06Å; H465-I469 PolarHBondContact N-O 3.34Å; Q467-I469 VanDerWaalsContact C-N 3.33Å; Q467-I469 HydrophobicContact CB-CD1 4.01Å; Q467-I469 HydrophobicContact CB-CG1 4.37Å; I469-C495 HydrophobicContact CG2-CB 3.95Å; I469-K496 WeakPolarHBondContact CA-O 3.27Å; I469-E497 HydrophobicContact CG1-CG 4.15Å
470V97.1Very high95.8Very high0 Ų021.2 Ų21.20%011%0.11CC..BIsolated β-bridgetrans-99.6130.4169.1-170.50000108.4R472 C495 K496 I499 P527 V529 D530V470-R472 HydrophobicContact CB-CG 4.06Å; V470-R472 HydrophobicContact CG1-CG 3.53Å; V470-C495 CarbonylContact O-C 3.03Å; V470-C495 VanDerWaalsContact O-CA 3.27Å; V470-C495 WeakPolarHBondContact O-CA 3.2Å; V470-K496 PolarHBondContact N-O 2.75Å; V470-K496 PolarHBondContact O-N 2.79Å; V470-I499 HydrophobicContact CG2-CB 3.81Å; V470-I499 HydrophobicContact CG2-CG1 3.87Å; V470-I499 HydrophobicContact CG2-CG2 3.7Å; V470-P527 HydrophobicContact CG2-CG 4.19Å; V470-V529 HydrophobicContact CG1-CG2 3.83Å; V470-D530 WeakPolarHBondContact CG1-OD2 3.16Å
471Y96.8Very high95.7Very high1 Ų121.2 Ų21.20%0.00411%0.11CC..  trans-76.1-48.3-171.4-173.2-109.7000113.3L461 L464 D473 L474 A490 F492 M494 D530L461-Y471 HydrophobicContact CD2-CG 4.4Å; L464-Y471 HydrophobicContact CD1-CD2 3.87Å; L464-Y471 HydrophobicContact CD1-CG 4.37Å; Y471-D473 VanDerWaalsContact CE1-C 3.43Å; Y471-D473 WeakPolarHBondContact CE1-O 3.47Å; Y471-D473 PolarHBondContact O-N 3.3Å; Y471-D473 VanDerWaalsContact O-N 3.09Å; Y471-L474 HydrophobicContact CD1-CB 3.97Å; Y471-L474 HydrophobicContact CE1-CB 4.16Å; Y471-L474 HydrophobicContact CE1-CD1 4.3Å; Y471-A490 PolarHBondContact OH-O 3.43Å; Y471-F492 AromaticContact CD2-CD1 3.95Å; Y471-F492 HydrophobicContact CD2-CD1 3.95Å; Y471-F492 HydrophobicContact CD2-CE1 4.1Å; Y471-F492 AromaticContact CE2-CD1 3.65Å; Y471-F492 HydrophobicContact CE2-CD1 3.65Å; Y471-F492 AromaticContact CE2-CE1 3.71Å; Y471-F492 HydrophobicContact CE2-CE1 3.71Å; Y471-F492 HydrophobicContact CE2-CG 4.37Å; Y471-F492 HydrophobicContact CE2-CZ 4.46Å; Y471-M494 CarbonylContact O-C 3.55Å; Y471-D530 WeakPolarHBondContact CB-OD2 3.34Å; Y471-D530 PolarHBondContact N-OD2 3.16Å
472R94.6Very high95.6Very high28 Ų2822 Ų2211%0.10611%0.114CC..  trans64.2-0.5171.1-51.4-173.1-62.3167-0.9118.3V470 M494 C495 C509 G510 Y525 V529 D530V470-R472 HydrophobicContact CB-CG 4.06Å; V470-R472 HydrophobicContact CG1-CG 3.53Å; R472-M494 PolarHBondContact NE-O 3.33Å; R472-M494 PolarHBondContact NH2-O 2.74Å; R472-C495 PolarHBondContact NH2-O 2.79Å; R472-C509 PolarHBondContact NH1-SG 2.96Å; R472-C509 VanDerWaalsContact NH1-SG 3.4Å; R472-G510 WeakPolarHBondContact O-CA 3.15Å; R472-Y525 HydrophobicContact CG-CE2 4.39Å; R472-Y525 PolarHBondContact NH1-OH 3.45Å; R472-Y525 VanDerWaalsContact NH1-OH 3.13Å; R472-V529 HydrophobicContact CG-CG2 4.25Å; R472-D530 WeakPolarHBondContact CA-OD1 3.31Å; R472-D530 PolarHBondContact N-OD1 2.86Å
473D93.5Very high95.4Very high10 Ų1025.7 Ų25.75%0.05313%0.129CC..  trans-135.943.3175.1-162.539.6000112.2Y471 K475 N478 M494 T511Y471-D473 VanDerWaalsContact CE1-C 3.43Å; Y471-D473 WeakPolarHBondContact CE1-O 3.47Å; Y471-D473 PolarHBondContact O-N 3.3Å; Y471-D473 VanDerWaalsContact O-N 3.09Å; D473-K475 PolarHBondContact O-N 3.35Å; D473-K475 IonicContact OD1-NZ 3.48Å; D473-K475 PolarHBondContact OD1-NZ 3.03Å; D473-K475 IonicContact OD2-NZ 3.83Å; D473-K475 PolarHBondContact OD2-NZ 3.49Å; D473-N478 PolarHBondContact O-ND2 2.79Å; D473-N478 PolarHBondContact OD2-ND2 3.25Å; D473-M494 HydrophobicContact CB-CB 3.8Å; D473-M494 HydrophobicContact CB-CG 3.93Å; D473-T511 PolarHBondContact OD1-OG1 2.84Å
474L96.6Very high95.3Very high2 Ų226 Ų261%0.0113%0.132CC..  trans-72.3122.5173.1-172.370.7000110I457 L461 Y471 V479 L489 Y514 A533 L534 L537I457-L474 HydrophobicContact CG2-CD1 3.87Å; I457-L474 HydrophobicContact CG2-CD2 4.14Å; L461-L474 HydrophobicContact CD1-CD2 4.19Å; Y471-L474 HydrophobicContact CD1-CB 3.97Å; Y471-L474 HydrophobicContact CE1-CB 4.16Å; Y471-L474 HydrophobicContact CE1-CD1 4.3Å; L474-V479 HydrophobicContact CD1-CG2 4.12Å; L474-L489 HydrophobicContact CD1-CD2 3.95Å; L474-Y514 WeakPolarHBondContact O-CD1 3.3Å; L474-A533 HydrophobicContact CB-CB 3.93Å; L474-A533 HydrophobicContact CD2-CB 4.31Å; L474-L534 HydrophobicContact CD2-CB 3.91Å; L474-L534 HydrophobicContact CD2-CD1 4.07Å; L474-L537 HydrophobicContact CD1-CD1 3.95Å; L474-L537 HydrophobicContact CD2-CD1 4.14Å; L474-L537 HydrophobicContact CG-CD1 3.72Å
475K93.3Very high95.3Very high34 Ų3426 Ų2615%0.14813%0.132CC..  trans-160.7164.3176.865.3-163.9-178-143.80110.1D473 D477 N478 T511 Y514D473-K475 PolarHBondContact O-N 3.35Å; D473-K475 IonicContact OD1-NZ 3.48Å; D473-K475 PolarHBondContact OD1-NZ 3.03Å; D473-K475 IonicContact OD2-NZ 3.83Å; D473-K475 PolarHBondContact OD2-NZ 3.49Å; K475-D477 VanDerWaalsContact C-N 3.26Å; K475-D477 HydrophobicContact CG-CB 4.2Å; K475-D477 PolarHBondContact O-N 2.95Å; K475-N478 WeakPolarHBondContact CE-ND2 3.03Å; K475-N478 WeakPolarHBondContact CE-OD1 3.34Å; K475-N478 HydrophobicContact CG-CB 4.05Å; K475-N478 PolarHBondContact O-N 2.78Å; K475-N478 VanDerWaalsContact O-N 3.08Å; K475-T511 HydrophobicContact CD-CG2 4.23Å; K475-T511 VanDerWaalsContact CD-OG1 3.24Å; K475-T511 WeakPolarHBondContact CD-OG1 3.44Å; K475-T511 PolarHBondContact NZ-OG1 3.34Å; K475-Y514 HydrophobicContact CB-CD1 4.4Å; K475-Y514 HydrophobicContact CB-CD2 4.01Å; K475-Y514 HydrophobicContact CB-CE1 4.17Å; K475-Y514 HydrophobicContact CB-CE2 3.81Å; K475-Y514 HydrophobicContact CB-CG 4.3Å
476L91.3Very high95.3Very high2 Ų225.8 Ų25.81%0.0113%0.131CC..G310 helixtrans-55.2-38.3-179-71.1173000113.6L435 M436 I439 N478 V479 Y514 L537 E540 M541L435-L476 HydrophobicContact CB-CB 4.33Å; L435-L476 HydrophobicContact CB-CD2 3.72Å; L435-L476 HydrophobicContact CD1-CD2 4.31Å; L435-L476 PolarHBondContact N-O 3.42Å; M436-L476 HydrophobicContact CB-CB 3.84Å; M436-L476 HydrophobicContact CE-CB 4.16Å; M436-L476 HydrophobicContact CE-CD1 3.99Å; M436-L476 HydrophobicContact SD-CD1 4.29Å; I439-L476 HydrophobicContact CD1-CD1 4.39Å; I439-L476 HydrophobicContact CG2-CD1 3.85Å; L476-N478 VanDerWaalsContact C-N 3.26Å; L476-N478 PolarHBondContact O-N 3.41Å; L476-V479 PolarHBondContact O-N 2.86Å; L476-Y514 WeakPolarHBondContact CG-OH 3.42Å; L476-Y514 PolarHBondContact N-OH 3.49Å; L476-L537 HydrophobicContact CD2-CD2 4.29Å; L476-L537 HydrophobicContact CD2-CG 4.17Å; L476-E540 HydrophobicContact CD1-CB 4.3Å; L476-E540 WeakPolarHBondContact CD1-OE2 3.38Å; L476-M541 HydrophobicContact CD2-CG 4.14Å
477D90Very high95.5Very high74 Ų7422.5 Ų22.540%0.39611%0.108SC..G310 helixtrans-65.5-27.3-179.7-50.2-101.9000113.2K475K475-D477 VanDerWaalsContact C-N 3.26Å; K475-D477 HydrophobicContact CG-CB 4.2Å; K475-D477 PolarHBondContact O-N 2.95Å
478N94.7Very high95.5Very high14 Ų1419 Ų198%0.0759%0.092CC..G310 helixtrans-93.60.8-177.3-73.8-4000113.1D473 K475 L476 A490D473-N478 PolarHBondContact O-ND2 2.79Å; D473-N478 PolarHBondContact OD2-ND2 3.25Å; K475-N478 WeakPolarHBondContact CE-ND2 3.03Å; K475-N478 WeakPolarHBondContact CE-OD1 3.34Å; K475-N478 HydrophobicContact CG-CB 4.05Å; K475-N478 PolarHBondContact O-N 2.78Å; K475-N478 VanDerWaalsContact O-N 3.08Å; L476-N478 VanDerWaalsContact C-N 3.26Å; L476-N478 PolarHBondContact O-N 3.41Å; N478-A490 WeakPolarHBondContact CB-O 3.26Å; N478-A490 PolarHBondContact O-N 3.37Å
479V97.3Very high95.6Very high0 Ų019 Ų190%09%0.091CC..EExtended strand (participates in β ladder)trans-106.7102.3173.9-172.10000109D434 L435 I457 L474 L476 C487 L489 L537D434-V479 CarbonylContact C-O 3.55Å; D434-V479 WeakPolarHBondContact CA-O 3.39Å; L435-V479 HydrophobicContact CB-CB 4.47Å; L435-V479 HydrophobicContact CD1-CB 3.73Å; L435-V479 HydrophobicContact CD1-CG1 3.56Å; L435-V479 HydrophobicContact CD1-CG2 4.37Å; L435-V479 HydrophobicContact CG-CB 3.85Å; L435-V479 HydrophobicContact CG-CG1 3.81Å; L435-V479 PolarHBondContact N-O 3.42Å; I457-V479 HydrophobicContact CD1-CG1 4.06Å; I457-V479 HydrophobicContact CD1-CG2 4.04Å; I457-V479 HydrophobicContact CG1-CG1 4.2Å; I457-V479 HydrophobicContact CG1-CG2 4.44Å; L474-V479 HydrophobicContact CD1-CG2 4.12Å; L476-V479 PolarHBondContact O-N 2.86Å; V479-C487 HydrophobicContact CG1-CB 3.94Å; V479-L489 HydrophobicContact CB-CD2 4.44Å; V479-L489 HydrophobicContact CG1-CD2 4.39Å; V479-L489 HydrophobicContact CG2-CD2 3.71Å; V479-L537 HydrophobicContact CG2-CD1 3.9Å
480L96.9Very high95.4Very high35 Ų3519.5 Ų19.518%0.18310%0.097CC..EExtended strand (participates in β ladder)trans-87.6154.8178.9-51-176.1000111.1T411 V430 D434 C487 K488 A490T411-L480 HydrophobicContact CG2-CD1 4.44Å; V430-L480 HydrophobicContact CB-CB 4.22Å; V430-L480 HydrophobicContact CB-CD1 3.97Å; V430-L480 HydrophobicContact CG1-CB 3.61Å; V430-L480 HydrophobicContact CG1-CD1 4.29Å; V430-L480 HydrophobicContact CG2-CD1 4.4Å; D434-L480 HydrophobicContact CB-CD2 3.73Å; L480-C487 CarbonylContact O-C 3.46Å; L480-C487 VanDerWaalsContact O-CA 3.3Å; L480-C487 WeakPolarHBondContact O-CA 3.46Å; L480-K488 HydrophobicContact CB-CB 4.24Å; L480-K488 PolarHBondContact N-O 3.45Å; L480-K488 PolarHBondContact O-N 3.05Å; L480-A490 HydrophobicContact CD1-CB 3.74Å; L480-A490 HydrophobicContact CG-CB 3.98Å
481L97Very high94.9Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-107.1134168.6-63.3-174.1000110.7V430 G432 G433 L435 Y453 H486 F626 P628V430-L481 VanDerWaalsContact CG1-C 3.45Å; V430-L481 WeakPolarHBondContact CG1-O 3.47Å; G432-L481 CarbonylContact C-O 3.55Å; G432-L481 WeakPolarHBondContact CA-O 3.3Å; G432-L481 PolarHBondContact N-O 3.46Å; G433-L481 PolarHBondContact O-N 3.01Å; L435-L481 HydrophobicContact CD2-CD1 4.09Å; L435-L481 HydrophobicContact CD2-CD2 3.85Å; L435-L481 HydrophobicContact CD2-CG 3.95Å; Y453-L481 HydrophobicContact CD1-CD2 4.37Å; Y453-L481 HydrophobicContact CE1-CD2 3.8Å; Y453-L481 WeakPolarHBondContact OH-CD1 3.48Å; L481-H486 WeakPolarHBondContact CA-O 3.41Å; L481-F626 HydrophobicContact CD1-CD1 3.94Å; L481-F626 HydrophobicContact CD1-CE1 4.04Å; L481-P628 HydrophobicContact CB-CG 4.15Å; L481-P628 HydrophobicContact CD1-CG 4.41Å
482D95Very high94.6Very high17 Ų1722.5 Ų22.59%0.09111%0.113CC..  trans-80.5-179171.477.910.9000112.9V430 D484 G485 H486 R620 P628V430-D482 HydrophobicContact CG1-CB 4.25Å; D482-D484 PolarHBondContact O-N 2.98Å; D482-D484 VanDerWaalsContact O-N 3.14Å; D482-D484 WeakPolarHBondContact OD1-CA 3.46Å; D482-D484 PolarHBondContact OD1-N 3.33Å; D482-G485 PolarHBondContact O-N 3.48Å; D482-G485 VanDerWaalsContact O-N 3.08Å; D482-G485 PolarHBondContact OD1-N 3.49Å; D482-H486 PolarHBondContact N-O 2.73Å; D482-H486 PolarHBondContact OD1-N 3.31Å; D482-R620 IonicContact OD1-NH2 3.65Å; D482-R620 IonicContact OD2-CZ 3.57Å; D482-R620 VanDerWaalsContact OD2-CZ 3.24Å; D482-R620 IonicContact OD2-NH1 3.53Å; D482-R620 PolarHBondContact OD2-NH1 3.15Å; D482-R620 IonicContact OD2-NH2 3.51Å; D482-R620 PolarHBondContact OD2-NH2 2.9Å; D482-P628 WeakPolarHBondContact O-CG 3.33Å
483K93.9Very high94.3Very high116 Ų11621.8 Ų21.850%0.50411%0.114SC..THydrogen-bonded Turntrans-60.6-23.1-177.869.2176.5177.962.40114.8K627 I630K483-K627 WeakPolarHBondContact O-CE 3.5Å; K483-I630 VanDerWaalsContact CA-CD1 3.47Å; K483-I630 HydrophobicContact CB-CD1 3.8Å
484D95Very high93.9Very high44 Ų4423.8 Ų23.824%0.23512%0.124CC..THydrogen-bonded Turntrans-96.8-15.6-179.7-64.2-51.3000111.7D482 P624 K627D482-D484 PolarHBondContact O-N 2.98Å; D482-D484 VanDerWaalsContact O-N 3.14Å; D482-D484 WeakPolarHBondContact OD1-CA 3.46Å; D482-D484 PolarHBondContact OD1-N 3.33Å; D484-P624 WeakPolarHBondContact O-CG 3.37Å; D484-K627 IonicContact OD1-NZ 3.6Å; D484-K627 PolarHBondContact OD1-NZ 3.21Å
485G96.7Very high93.7Very high0 Ų024 Ų240%013%0.125CC..SBendtrans104.712.617500000114.4Y453 D482 F626Y453-G485 WeakPolarHBondContact CE1-O 3.28Å; D482-G485 PolarHBondContact O-N 3.48Å; D482-G485 VanDerWaalsContact O-N 3.08Å; D482-G485 PolarHBondContact OD1-N 3.49Å; G485-F626 WeakPolarHBondContact CA-O 3.32Å
486H98.1Very high93.7Very high10 Ų1026.2 Ų26.25%0.04614%0.135CC..  trans-83.2149.8174.8-67.2-88.5000111.6Y409 F452 E456 L481 D482 R620 I622 P624Y409-H486 HydrophobicContact CE1-CB 4.23Å; Y409-H486 AromaticContact CE1-ND1 3.94Å; F452-H486 AromaticContact CZ-ND1 3.86Å; E456-H486 IonicContact OE1-CE1 2.79Å; E456-H486 IonicContact OE1-CG 3.24Å; E456-H486 IonicContact OE1-ND1 3.06Å; E456-H486 PolarHBondContact OE1-ND1 3.3Å; E456-H486 WeakPolarHBondContact OE2-CA 3.15Å; E456-H486 IonicContact OE2-ND1 3.45Å; L481-H486 WeakPolarHBondContact CA-O 3.41Å; D482-H486 PolarHBondContact N-O 2.73Å; D482-H486 PolarHBondContact OD1-N 3.31Å; H486-R620 PolarHBondContact CD2-NH2 3.32Å; H486-I622 PolarHBondContact CE1-O 2.8Å; H486-P624 WeakPolarHBondContact CD2-CG 3.49Å; H486-P624 VanDerWaalsContact NE2-CG 3.29Å; H486-P624 WeakPolarHBondContact NE2-CG 3.5Å
487C98.1Very high93.8Very high1 Ų129 Ų291%0.00715%0.148CC..EExtended strand (participates in β ladder)trans-71.2145.6177.5-72.40000112.8Y409 Y453 E456 V479 L480Y409-C487 WeakPolarHBondContact CA-O 3.23Å; Y409-C487 WeakPolarHBondContact CD1-O 3.32Å; Y453-C487 WeakPolarHBondContact CD1-SG 3.18Å; E456-C487 HydrophobicContact CB-CB 4.03Å; E456-C487 WeakPolarHBondContact OE2-CB 3.46Å; E456-C487 PolarHBondContact OE2-N 2.88Å; V479-C487 HydrophobicContact CG1-CB 3.94Å; L480-C487 CarbonylContact O-C 3.46Å; L480-C487 VanDerWaalsContact O-CA 3.3Å; L480-C487 WeakPolarHBondContact O-CA 3.46Å
488K97.4Very high93.9Very high5 Ų527.5 Ų27.52%0.02215%0.15CC..EExtended strand (participates in β ladder)trans-137.9110.9172.7-74.2-71.6-169.5158.40108.7P408 Y409 L410 T411 E428 V430 L480P408-K488 WeakPolarHBondContact O-CD 3.23Å; P408-K488 WeakPolarHBondContact O-CE 3.49Å; P408-K488 PolarHBondContact O-NZ 3.45Å; Y409-K488 CarbonylContact O-C 3.49Å; Y409-K488 WeakPolarHBondContact O-CA 3.44Å; L410-K488 WeakPolarHBondContact O-CD 3.48Å; L410-K488 PolarHBondContact O-NZ 3.3Å; T411-K488 HydrophobicContact CG2-CB 4.03Å; E428-K488 WeakPolarHBondContact OE1-CE 3.42Å; E428-K488 IonicContact OE1-NZ 2.83Å; E428-K488 PolarHBondContact OE1-NZ 3.49Å; E428-K488 IonicContact OE2-NZ 2.85Å; E428-K488 PolarHBondContact OE2-NZ 3.26Å; V430-K488 HydrophobicContact CG1-CB 4.32Å; V430-K488 HydrophobicContact CG1-CG 4.32Å; V430-K488 HydrophobicContact CG2-CB 4.41Å; V430-K488 HydrophobicContact CG2-CG 4.31Å; L480-K488 HydrophobicContact CB-CB 4.24Å; L480-K488 PolarHBondContact N-O 3.45Å; L480-K488 PolarHBondContact O-N 3.05Å
489L96.9Very high93.9Very high1 Ų127.4 Ų27.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-70.5133172.1-60-173000110Y409 L410 T411 I457 A460 L461 L474 V479 F492Y409-L489 PolarHBondContact O-N 3.14Å; L410-L489 HydrophobicContact CD2-CB 3.8Å; L410-L489 HydrophobicContact CD2-CD1 3.94Å; L410-L489 HydrophobicContact CD2-CG 4.15Å; T411-L489 WeakPolarHBondContact CG2-O 3.41Å; T411-L489 PolarHBondContact N-O 2.89Å; T411-L489 PolarHBondContact OG1-O 2.7Å; I457-L489 HydrophobicContact CG1-CD2 4.29Å; I457-L489 HydrophobicContact CG2-CD2 4.33Å; A460-L489 HydrophobicContact CB-CD1 3.68Å; A460-L489 HydrophobicContact CB-CG 4.15Å; L461-L489 HydrophobicContact CD2-CD1 4.4Å; L474-L489 HydrophobicContact CD1-CD2 3.95Å; V479-L489 HydrophobicContact CB-CD2 4.44Å; V479-L489 HydrophobicContact CG1-CD2 4.39Å; V479-L489 HydrophobicContact CG2-CD2 3.71Å; L489-F492 HydrophobicContact CB-CZ 4.47Å; L489-F492 WeakPolarHBondContact O-CZ 3.35Å
490A92.3Very high93.6Very high16 Ų1632.4 Ų32.413%0.13217%0.171CC..  trans-133.8158.2-177.400000111.6T411 Y471 N478 L480T411-A490 HydrophobicContact CG2-CB 3.75Å; Y471-A490 PolarHBondContact OH-O 3.43Å; N478-A490 WeakPolarHBondContact CB-O 3.26Å; N478-A490 PolarHBondContact O-N 3.37Å; L480-A490 HydrophobicContact CD1-CB 3.74Å; L480-A490 HydrophobicContact CG-CB 3.98Å
491D88.3Confident92.8Very high64 Ų6440.4 Ų40.434%0.34221%0.207SC..  trans70.885.5-177.4-157.28.9000114K378 G493K378-D491 IonicContact NZ-OD1 3.83Å; K378-D491 PolarHBondContact NZ-OD1 2.85Å; D491-G493 VanDerWaalsContact C-N 3.33Å
492F90.4Very high91.9Very high0 Ų044.4 Ų44.40%025%0.249CC..  trans-94.814.1-178.6-59.3-93.2000112.7E397 V400 L401 A404 L410 T411 L464 Y471 L489 M494 C495E397-F492 HydrophobicContact CG-CB 4.22Å; V400-F492 HydrophobicContact CB-CB 4.22Å; V400-F492 HydrophobicContact CG1-CB 3.92Å; V400-F492 HydrophobicContact CG1-CD1 3.42Å; V400-F492 VanDerWaalsContact CG1-CD1 3.42Å; V400-F492 HydrophobicContact CG1-CE1 4.16Å; V400-F492 HydrophobicContact CG1-CG 3.82Å; L401-F492 HydrophobicContact CD2-CD2 3.37Å; L401-F492 HydrophobicContact CD2-CE2 3.46Å; L401-F492 VanDerWaalsContact CD2-CE2 3.46Å; L401-F492 HydrophobicContact CD2-CG 4.48Å; L401-F492 HydrophobicContact CG-CD2 3.67Å; L401-F492 HydrophobicContact CG-CE2 4.25Å; L401-F492 HydrophobicContact CG-CG 4.42Å; A404-F492 HydrophobicContact CB-CZ 4.41Å; L410-F492 HydrophobicContact CB-CZ 4.15Å; L410-F492 HydrophobicContact CD2-CE1 4.04Å; L410-F492 HydrophobicContact CD2-CZ 3.93Å; L410-F492 HydrophobicContact CG-CZ 4.48Å; T411-F492 WeakPolarHBondContact OG1-CE2 3.13Å; L464-F492 HydrophobicContact CD1-CE1 4.27Å; L464-F492 HydrophobicContact CD2-CE1 4.45Å; Y471-F492 AromaticContact CD2-CD1 3.95Å; Y471-F492 HydrophobicContact CD2-CD1 3.95Å; Y471-F492 HydrophobicContact CD2-CE1 4.1Å; Y471-F492 AromaticContact CE2-CD1 3.65Å; Y471-F492 HydrophobicContact CE2-CD1 3.65Å; Y471-F492 AromaticContact CE2-CE1 3.71Å; Y471-F492 HydrophobicContact CE2-CE1 3.71Å; Y471-F492 HydrophobicContact CE2-CG 4.37Å; Y471-F492 HydrophobicContact CE2-CZ 4.46Å; L489-F492 HydrophobicContact CB-CZ 4.47Å; L489-F492 WeakPolarHBondContact O-CZ 3.35Å; F492-M494 PolarHBondContact O-N 3.02Å; F492-M494 VanDerWaalsContact O-N 3.17Å; F492-C495 WeakPolarHBondContact O-CB 3.41Å; F492-C495 PolarHBondContact O-N 3.47Å; F492-C495 VanDerWaalsContact O-N 3.09Å
493G87Confident91.7Very high13 Ų1347.3 Ų47.313%0.13427%0.267CS..THydrogen-bonded Turntrans-61.4-22.6-178.200000114.5D491D491-G493 VanDerWaalsContact C-N 3.33Å
494M86.1Confident91.5Very high52 Ų5243.7 Ų43.726%0.25626%0.258SS..THydrogen-bonded Turntrans-99.23.1178.7-65.4-66.4177.900113.4V192 Y471 R472 D473 F492 C509V192-M494 HydrophobicContact CG2-CE 4.4Å; Y471-M494 CarbonylContact O-C 3.55Å; R472-M494 PolarHBondContact NE-O 3.33Å; R472-M494 PolarHBondContact NH2-O 2.74Å; D473-M494 HydrophobicContact CB-CB 3.8Å; D473-M494 HydrophobicContact CB-CG 3.93Å; F492-M494 PolarHBondContact O-N 3.02Å; F492-M494 VanDerWaalsContact O-N 3.17Å; M494-C509 HydrophobicContact SD-CB 4.33Å
495C91.5Very high91.1Very high6 Ų642.1 Ų42.14%0.04125%0.251CS..  trans-63.4154.4-178.9-75.40000112.7T396 V400 I469 V470 R472 F492T396-C495 HydrophobicContact CG2-CB 4.32Å; V400-C495 HydrophobicContact CG2-CB 4Å; I469-C495 HydrophobicContact CG2-CB 3.95Å; V470-C495 CarbonylContact O-C 3.03Å; V470-C495 VanDerWaalsContact O-CA 3.27Å; V470-C495 WeakPolarHBondContact O-CA 3.2Å; R472-C495 PolarHBondContact NH2-O 2.79Å; F492-C495 WeakPolarHBondContact O-CB 3.41Å; F492-C495 PolarHBondContact O-N 3.47Å; F492-C495 VanDerWaalsContact O-N 3.09Å
496K92.7Very high90.3Very high81 Ų8144.5 Ų44.535%0.35228%0.275SS..BIsolated β-bridgetrans-126.5113.9171.2-173.565.6176.6175.80110.3I469 V470 I499 T505I469-K496 WeakPolarHBondContact CA-O 3.27Å; V470-K496 PolarHBondContact N-O 2.75Å; V470-K496 PolarHBondContact O-N 2.79Å; K496-I499 HydrophobicContact CB-CG1 4.3Å; K496-I499 HydrophobicContact CG-CD1 3.79Å; K496-I499 HydrophobicContact CG-CG1 3.76Å; K496-T505 HydrophobicContact CG-CG2 4.26Å
497E93.9Very high89.3Confident61 Ų6145 Ų4529%0.28528%0.279SS..  trans-80.8161.2174-64173.6107.600112T396 R399 V400 G468 I469T396-E497 HydrophobicContact CG2-CG 4.06Å; R399-E497 IonicContact CZ-OE2 2.82Å; R399-E497 VanDerWaalsContact CZ-OE2 3.23Å; R399-E497 IonicContact NE-OE1 2.86Å; R399-E497 IonicContact NE-OE2 3.32Å; R399-E497 PolarHBondContact NE-OE2 3.41Å; R399-E497 IonicContact NH2-OE2 2.77Å; R399-E497 PolarHBondContact NH2-OE2 3.41Å; V400-E497 HydrophobicContact CG2-CG 3.97Å; G468-E497 CarbonylContact O-C 3.56Å; I469-E497 HydrophobicContact CG1-CG 4.15Å
498G93Very high88.2Confident42 Ų4247.9 Ų47.943%0.43329%0.291SS..  trans79.616.6172.500000114.8G468 F500G468-G498 PolarHBondContact O-N 3.29Å; G498-F500 PolarHBondContact O-N 2.84Å
499I94.4Very high87.3Confident11 Ų1148.1 Ų48.16%0.05629%0.294CS..  trans-91.382.3179-54.3-57.7000109G468 V470 K496 V503G468-I499 WeakPolarHBondContact CA-O 3.27Å; G468-I499 PolarHBondContact O-N 3.27Å; V470-I499 HydrophobicContact CG2-CB 3.81Å; V470-I499 HydrophobicContact CG2-CG1 3.87Å; V470-I499 HydrophobicContact CG2-CG2 3.7Å; K496-I499 HydrophobicContact CB-CG1 4.3Å; K496-I499 HydrophobicContact CG-CD1 3.79Å; K496-I499 HydrophobicContact CG-CG1 3.76Å; I499-V503 HydrophobicContact CD1-CG1 4Å; I499-V503 WeakPolarHBondContact CG2-O 3.3Å
500F91.6Very high86.2Confident106 Ų10649.4 Ų49.447%0.46531%0.307SS..  trans-117.5151.3174.1-63.9-81.8000110.7Q467 G468 G498 G502 V503Q467-F500 WeakPolarHBondContact O-CZ 3.43Å; G468-F500 VanDerWaalsContact CA-CE1 3.4Å; G468-F500 VanDerWaalsContact N-CZ 3.34Å; G498-F500 PolarHBondContact O-N 2.84Å; F500-G502 PolarHBondContact O-N 2.85Å; F500-V503 WeakPolarHBondContact O-CB 3.44Å; F500-V503 WeakPolarHBondContact O-CG2 3.21Å; F500-V503 PolarHBondContact O-N 2.78Å
501E80.3Confident85.5Confident202 Ų20250.2 Ų50.294%0.94431%0.31SS*.THydrogen-bonded Turntrans31.974.5164.7-63.4-171.4172.100116V503E501-V503 PolarHBondContact O-N 2.98Å
502G77.3Confident85.1Confident85 Ų8548.5 Ų48.588%0.87630%0.303SS*.THydrogen-bonded Turntrans80.6-5.7174.900000115.3F500F500-G502 PolarHBondContact O-N 2.85Å
503V90.4Very high84.6Confident78 Ų7851 Ų5147%0.47332%0.316SS..  trans-68.3135.9165.1-179.70000108.9I499 F500 E501I499-V503 HydrophobicContact CD1-CG1 4Å; I499-V503 WeakPolarHBondContact CG2-O 3.3Å; F500-V503 WeakPolarHBondContact O-CB 3.44Å; F500-V503 WeakPolarHBondContact O-CG2 3.21Å; F500-V503 PolarHBondContact O-N 2.78Å; E501-V503 PolarHBondContact O-N 2.98Å
504A90.8Very high84.9Confident39 Ų3951.1 Ų51.132%0.32231%0.313SS..  trans-137.3163.2179.800000110.4M524 Y525A504-M524 VanDerWaalsContact C-CE 3.48Å; A504-M524 HydrophobicContact CB-CB 3.84Å; A504-M524 HydrophobicContact CB-CE 4.17Å; A504-M524 WeakPolarHBondContact O-CE 3.4Å; A504-Y525 CarbonylContact C-O 3.6Å; A504-Y525 VanDerWaalsContact CA-O 3.3Å; A504-Y525 WeakPolarHBondContact CA-O 2.94Å; A504-Y525 WeakPolarHBondContact CB-O 3.27Å
505T85.6Confident85Confident12 Ų1248.9 Ų48.97%0.07430%0.302CS..BIsolated β-bridgetrans-123.3158.7176.1-1730000110.8K496 T507 M524 Y525K496-T505 HydrophobicContact CG-CG2 4.26Å; T505-T507 PolarHBondContact OG1-OG1 3.4Å; T505-M524 VanDerWaalsContact C-CE 3.44Å; T505-M524 CarbonylContact O-C 3.53Å; T505-M524 WeakPolarHBondContact O-CA 3.43Å; T505-Y525 HydrophobicContact CG2-CD2 3.9Å; T505-Y525 HydrophobicContact CG2-CE1 4.14Å; T505-Y525 HydrophobicContact CG2-CE2 3.36Å; T505-Y525 HydrophobicContact CG2-CG 4.49Å; T505-Y525 PolarHBondContact N-O 2.96Å; T505-Y525 VanDerWaalsContact O-CD1 3.31Å; T505-Y525 WeakPolarHBondContact O-CD1 3.43Å; T505-Y525 PolarHBondContact O-N 3.14Å
506G79.4Confident85.1Confident50 Ų5048.7 Ų48.752%0.51530%0.3SS..  trans-124.817.9-178.900000113.5F508G506-F508 PolarHBondContact O-N 2.9Å
507T76.9Confident85.1Confident19 Ų1945 Ų4512%0.11728%0.284CS..  trans-72.2125.1179.4-51.50000110.2V192 F193 T505 C509 Y525V192-T507 HydrophobicContact CG1-CG2 3.95Å; F193-T507 HydrophobicContact CE1-CG2 3.77Å; F193-T507 HydrophobicContact CE2-CG2 4.49Å; F193-T507 HydrophobicContact CZ-CG2 3.64Å; T505-T507 PolarHBondContact OG1-OG1 3.4Å; T507-C509 HydrophobicContact CG2-CB 4.36Å; T507-C509 PolarHBondContact O-N 3.46Å; T507-Y525 VanDerWaalsContact O-CE1 3.28Å; T507-Y525 WeakPolarHBondContact O-CE1 3.23Å; T507-Y525 PolarHBondContact O-OH 3.46Å
508F76.4Confident85Confident63 Ų6342.1 Ų42.128%0.27627%0.271SS..  trans-77.8106.1171.3-168.8-80.2000109.7F175 G506 I515 I519 L520 F557F175-F508 HydrophobicContact CE1-CD1 4.37Å; F175-F508 HydrophobicContact CZ-CD1 4.14Å; G506-F508 PolarHBondContact O-N 2.9Å; F508-I515 HydrophobicContact CE1-CD1 3.92Å; F508-I515 HydrophobicContact CE2-CD1 4.06Å; F508-I515 HydrophobicContact CZ-CD1 3.63Å; F508-I519 HydrophobicContact CD2-CG2 3.84Å; F508-I519 HydrophobicContact CE2-CG2 4.22Å; F508-I519 HydrophobicContact CG-CG2 4.3Å; F508-L520 HydrophobicContact CE2-CD2 3.97Å; F508-L520 HydrophobicContact CZ-CD2 3.97Å; F508-F557 HydrophobicContact CZ-CE2 4.46Å; F508-F557 HydrophobicContact CZ-CZ 4.5Å
509C77.6Confident84.6Confident10 Ų1040.6 Ų40.67%0.06825%0.253CS..  trans-152.4172.1-179.863.90000111V192 R472 M494 T507V192-C509 HydrophobicContact CG1-CB 4.08Å; R472-C509 PolarHBondContact NH1-SG 2.96Å; R472-C509 VanDerWaalsContact NH1-SG 3.4Å; M494-C509 HydrophobicContact SD-CB 4.33Å; T507-C509 HydrophobicContact CG2-CB 4.36Å; T507-C509 PolarHBondContact O-N 3.46Å
510G73.4Confident83.8Confident28 Ų2841.3 Ų41.329%0.28926%0.257SS..SBendtrans111.9171.3-178.900000112.5R472R472-G510 WeakPolarHBondContact O-CA 3.15Å
511T77.6Confident83.1Confident32 Ų3241.6 Ų41.620%0.19626%0.259CS..  trans-82.9133.1176.5-62.60000109.7D473 K475 D513 Y514 I515D473-T511 PolarHBondContact OD1-OG1 2.84Å; K475-T511 HydrophobicContact CD-CG2 4.23Å; K475-T511 VanDerWaalsContact CD-OG1 3.24Å; K475-T511 WeakPolarHBondContact CD-OG1 3.44Å; K475-T511 PolarHBondContact NZ-OG1 3.34Å; T511-D513 VanDerWaalsContact C-N 3.35Å; T511-D513 PolarHBondContact O-N 2.94Å; T511-Y514 HydrophobicContact CG2-CD2 4.24Å; T511-Y514 PolarHBondContact O-N 2.73Å; T511-I515 PolarHBondContact O-N 2.8Å; T511-I515 VanDerWaalsContact O-N 3.15Å
512P80.2Confident83Confident28 Ų2839.4 Ų39.418%0.18225%0.249CC..G310 helixtrans-50.1-44-170.8-32.536.9000115.9Y514 I515 L556 F557P512-Y514 PolarHBondContact O-N 3.47Å; P512-I515 WeakPolarHBondContact O-CG2 3.4Å; P512-I515 PolarHBondContact O-N 3.46Å; P512-L556 HydrophobicContact CB-CD2 4.12Å; P512-F557 HydrophobicContact CB-CE1 4.06Å; P512-F557 HydrophobicContact CB-CZ 4.45Å
513D81.4Confident83.1Confident53 Ų5339.5 Ų39.528%0.28323%0.228SC..G310 helixtrans-68.5-21.1-178.4-53.3-84.1000113.4T511T511-D513 VanDerWaalsContact C-N 3.35Å; T511-D513 PolarHBondContact O-N 2.94Å
514Y92.6Very high82.9Confident16 Ų1641.6 Ų41.66%0.06323%0.234CC..G310 helixtrans-105.6-3.8-175.3-70.4-100.5000113.1L474 K475 L476 T511 P512 A533 V536 L537 E540L474-Y514 WeakPolarHBondContact O-CD1 3.3Å; K475-Y514 HydrophobicContact CB-CD1 4.4Å; K475-Y514 HydrophobicContact CB-CD2 4.01Å; K475-Y514 HydrophobicContact CB-CE1 4.17Å; K475-Y514 HydrophobicContact CB-CE2 3.81Å; K475-Y514 HydrophobicContact CB-CG 4.3Å; L476-Y514 WeakPolarHBondContact CG-OH 3.42Å; L476-Y514 PolarHBondContact N-OH 3.49Å; T511-Y514 HydrophobicContact CG2-CD2 4.24Å; T511-Y514 PolarHBondContact O-N 2.73Å; P512-Y514 PolarHBondContact O-N 3.47Å; Y514-A533 HydrophobicContact CD1-CB 4.34Å; Y514-V536 HydrophobicContact CD1-CB 3.86Å; Y514-V536 HydrophobicContact CD1-CG1 3.66Å; Y514-V536 HydrophobicContact CD2-CG1 4.39Å; Y514-V536 HydrophobicContact CE1-CB 4.15Å; Y514-V536 HydrophobicContact CE1-CG1 3.74Å; Y514-V536 HydrophobicContact CE2-CG1 4.42Å; Y514-V536 HydrophobicContact CG-CB 4.5Å; Y514-V536 HydrophobicContact CG-CG1 4.02Å; Y514-L537 HydrophobicContact CE1-CB 3.89Å; Y514-L537 HydrophobicContact CE1-CG 4.41Å; Y514-E540 PolarHBondContact OH-OE1 2.8Å; Y514-E540 PolarHBondContact OH-OE2 2.78Å
515I87.3Confident83Confident5 Ų540 Ų403%0.02622%0.22CC..  trans-69.1135.3-174.2-155.7168.4000110.8F508 T511 P512 I519 L520 W532 F557 I560F508-I515 HydrophobicContact CE1-CD1 3.92Å; F508-I515 HydrophobicContact CE2-CD1 4.06Å; F508-I515 HydrophobicContact CZ-CD1 3.63Å; T511-I515 PolarHBondContact O-N 2.8Å; T511-I515 VanDerWaalsContact O-N 3.15Å; P512-I515 WeakPolarHBondContact O-CG2 3.4Å; P512-I515 PolarHBondContact O-N 3.46Å; I515-I519 HydrophobicContact CD1-CB 4.32Å; I515-I519 HydrophobicContact CD1-CG2 3.78Å; I515-I519 HydrophobicContact CG1-CB 3.94Å; I515-I519 HydrophobicContact CG1-CD1 4.01Å; I515-I519 HydrophobicContact CG1-CG2 3.91Å; I515-L520 HydrophobicContact CD1-CD2 3.99Å; I515-L520 HydrophobicContact CG1-CD2 4.46Å; I515-L520 HydrophobicContact CG2-CD1 3.93Å; I515-L520 HydrophobicContact CG2-CD2 3.71Å; I515-L520 HydrophobicContact CG2-CG 3.82Å; I515-W532 PolarHBondContact O-NE1 3.23Å; I515-F557 HydrophobicContact CG2-CD1 4.31Å; I515-F557 HydrophobicContact CG2-CE1 4.09Å; I515-I560 HydrophobicContact CG2-CD1 4Å
516A93.5Very high83.4Confident1 Ų140.1 Ų40.11%0.00822%0.223CC..  trans-78148.8-178.500000112E518 I519 L520 V529 W532A516-E518 HydrophobicContact CB-CG 4.3Å; A516-E518 WeakPolarHBondContact CB-OE2 3.25Å; A516-E518 PolarHBondContact O-N 3.33Å; A516-I519 HydrophobicContact CB-CD1 4.39Å; A516-I519 HydrophobicContact CB-CG1 4.37Å; A516-I519 WeakPolarHBondContact O-CB 3.17Å; A516-I519 PolarHBondContact O-N 3.1Å; A516-L520 PolarHBondContact O-N 3.02Å; A516-V529 HydrophobicContact CB-CB 4.03Å; A516-V529 HydrophobicContact CB-CG1 3.92Å; A516-W532 VanDerWaalsContact CA-CD1 3.48Å; A516-W532 HydrophobicContact CB-CB 3.91Å; A516-W532 HydrophobicContact CB-CD2 4.45Å; A516-W532 HydrophobicContact CB-CG 3.77Å
517P93.1Very high84.2Confident3 Ų339.6 Ų39.62%0.01921%0.21CC..Hα-helixtrans-53.7-38.9179-29.236.5000113.6I519 L520 Q521 W532 I560 L561 K585P517-I519 VanDerWaalsContact C-N 3.29Å; P517-I519 PolarHBondContact O-N 3.36Å; P517-L520 PolarHBondContact O-N 3.09Å; P517-Q521 WeakPolarHBondContact O-CG 3.33Å; P517-Q521 PolarHBondContact O-N 3.24Å; P517-W532 HydrophobicContact CG-CD2 4.41Å; P517-W532 HydrophobicContact CG-CE3 4.15Å; P517-W532 HydrophobicContact CG-CH2 3.57Å; P517-W532 HydrophobicContact CG-CZ2 3.86Å; P517-W532 HydrophobicContact CG-CZ3 3.72Å; P517-I560 HydrophobicContact CG-CG2 3.9Å; P517-L561 HydrophobicContact CB-CD2 4.05Å; P517-K585 HydrophobicContact CB-CB 4.45Å; P517-K585 HydrophobicContact CG-CB 4.17Å; P517-K585 HydrophobicContact CG-CG 4.18Å
518E93Very high85.2Confident2 Ų239.4 Ų39.41%0.00921%0.21CC..Hα-helixtrans-65.8-28.8179.662.1-97-141.600113.4A516 E522 M523 S528 V529 P587 R590A516-E518 HydrophobicContact CB-CG 4.3Å; A516-E518 WeakPolarHBondContact CB-OE2 3.25Å; A516-E518 PolarHBondContact O-N 3.33Å; E518-E522 PolarHBondContact O-N 3.02Å; E518-M523 HydrophobicContact CB-CB 4.17Å; E518-M523 HydrophobicContact CB-SD 4.26Å; E518-M523 WeakPolarHBondContact O-CB 3.42Å; E518-M523 PolarHBondContact O-N 3.22Å; E518-S528 PolarHBondContact OE1-OG 3.37Å; E518-V529 HydrophobicContact CG-CG1 4.07Å; E518-P587 HydrophobicContact CB-CG 4.26Å; E518-P587 HydrophobicContact CG-CG 4.42Å; E518-R590 IonicContact OE1-CZ 2.81Å; E518-R590 IonicContact OE1-NH1 2.73Å; E518-R590 PolarHBondContact OE1-NH1 3.23Å; E518-R590 IonicContact OE1-NH2 3Å; E518-R590 IonicContact OE2-CZ 3.23Å; E518-R590 IonicContact OE2-NH1 2.74Å; E518-R590 PolarHBondContact OE2-NH1 3.1Å; E518-R590 IonicContact OE2-NH2 2.87Å; E518-R590 PolarHBondContact OE2-NH2 2.75Å
519I83.3Confident86.2Confident9 Ų936.7 Ų36.75%0.04620%0.199CC..Hα-helixtrans-71.4-42.8174.8-58.2177.2000109.6F508 I515 A516 P517 Q521 E522 Y525 V529F508-I519 HydrophobicContact CD2-CG2 3.84Å; F508-I519 HydrophobicContact CE2-CG2 4.22Å; F508-I519 HydrophobicContact CG-CG2 4.3Å; I515-I519 HydrophobicContact CD1-CB 4.32Å; I515-I519 HydrophobicContact CD1-CG2 3.78Å; I515-I519 HydrophobicContact CG1-CB 3.94Å; I515-I519 HydrophobicContact CG1-CD1 4.01Å; I515-I519 HydrophobicContact CG1-CG2 3.91Å; A516-I519 HydrophobicContact CB-CD1 4.39Å; A516-I519 HydrophobicContact CB-CG1 4.37Å; A516-I519 WeakPolarHBondContact O-CB 3.17Å; A516-I519 PolarHBondContact O-N 3.1Å; P517-I519 VanDerWaalsContact C-N 3.29Å; P517-I519 PolarHBondContact O-N 3.36Å; I519-Q521 PolarHBondContact O-N 3.44Å; I519-E522 PolarHBondContact O-N 2.8Å; I519-Y525 HydrophobicContact CD1-CE1 4.32Å; I519-Y525 HydrophobicContact CG1-CD1 3.78Å; I519-Y525 HydrophobicContact CG1-CE1 3.84Å; I519-Y525 HydrophobicContact CG1-CG 4.2Å; I519-V529 HydrophobicContact CD1-CB 4.04Å; I519-V529 HydrophobicContact CD1-CG1 3.77Å; I519-V529 HydrophobicContact CG1-CG1 3.82Å
520L79.3Confident87.2Confident27 Ų2736.2 Ų36.214%0.14120%0.195CC..Hα-helixtrans-63.3-31.1177.1-64.7178.4000112.7F508 I515 A516 P517 E522 F557 I560 L561F508-L520 HydrophobicContact CE2-CD2 3.97Å; F508-L520 HydrophobicContact CZ-CD2 3.97Å; I515-L520 HydrophobicContact CD1-CD2 3.99Å; I515-L520 HydrophobicContact CG1-CD2 4.46Å; I515-L520 HydrophobicContact CG2-CD1 3.93Å; I515-L520 HydrophobicContact CG2-CD2 3.71Å; I515-L520 HydrophobicContact CG2-CG 3.82Å; A516-L520 PolarHBondContact O-N 3.02Å; P517-L520 PolarHBondContact O-N 3.09Å; L520-E522 PolarHBondContact O-N 3.28Å; L520-F557 HydrophobicContact CD1-CB 3.87Å; L520-F557 HydrophobicContact CD1-CD1 3.98Å; L520-F557 HydrophobicContact CD1-CG 4.1Å; L520-F557 HydrophobicContact CD2-CB 4.1Å; L520-F557 HydrophobicContact CD2-CD1 3.57Å; L520-F557 HydrophobicContact CD2-CD2 3.89Å; L520-F557 HydrophobicContact CD2-CE1 3.9Å; L520-F557 HydrophobicContact CD2-CE2 4.19Å; L520-F557 HydrophobicContact CD2-CG 3.57Å; L520-F557 HydrophobicContact CD2-CZ 4.2Å; L520-F557 HydrophobicContact CG-CD1 4.44Å; L520-F557 HydrophobicContact CG-CG 4.48Å; L520-I560 HydrophobicContact CD1-CB 3.95Å; L520-I560 HydrophobicContact CD1-CD1 4.23Å; L520-I560 HydrophobicContact CD1-CG2 3.7Å; L520-L561 HydrophobicContact CB-CD1 4.39Å; L520-L561 HydrophobicContact CB-CD2 4.1Å; L520-L561 HydrophobicContact CB-CG 4.4Å; L520-L561 HydrophobicContact CD1-CD2 4.42Å; L520-L561 HydrophobicContact CD1-CG 4.21Å
521Q75.4Confident88.4Confident111 Ų11135 Ų3552%0.51918%0.182SC..THydrogen-bonded Turntrans-836.6175.1-68.2175.8-33.300113.4P517 I519 M523 L561P517-Q521 WeakPolarHBondContact O-CG 3.33Å; P517-Q521 PolarHBondContact O-N 3.24Å; I519-Q521 PolarHBondContact O-N 3.44Å; Q521-M523 HydrophobicContact CB-CG 3.91Å; Q521-M523 HydrophobicContact CB-SD 4.13Å; Q521-M523 PolarHBondContact O-N 3.22Å; Q521-L561 HydrophobicContact CG-CD2 3.69Å
522E78.3Confident89.4Confident156 Ų15633.5 Ų33.573%0.72917%0.173SC*.THydrogen-bonded Turntrans55.729.4-177.6-56.2-176.5177.300113.1E518 I519 L520E518-E522 PolarHBondContact O-N 3.02Å; I519-E522 PolarHBondContact O-N 2.8Å; L520-E522 PolarHBondContact O-N 3.28Å
523M80.6Confident90.3Very high87 Ų8732.4 Ų32.443%0.42917%0.166SC..  trans-80.1153.4176.6-61.1178.157.100110.7E518 Q521E518-M523 HydrophobicContact CB-CB 4.17Å; E518-M523 HydrophobicContact CB-SD 4.26Å; E518-M523 WeakPolarHBondContact O-CB 3.42Å; E518-M523 PolarHBondContact O-N 3.22Å; Q521-M523 HydrophobicContact CB-CG 3.91Å; Q521-M523 HydrophobicContact CB-SD 4.13Å; Q521-M523 PolarHBondContact O-N 3.22Å
524M86.1Confident91.1Very high123 Ų12329.9 Ų29.961%0.60615%0.153SC*.  trans-69.3134.1168-63.8-63.1-68.200109.4A504 T505A504-M524 VanDerWaalsContact C-CE 3.48Å; A504-M524 HydrophobicContact CB-CB 3.84Å; A504-M524 HydrophobicContact CB-CE 4.17Å; A504-M524 WeakPolarHBondContact O-CE 3.4Å; T505-M524 VanDerWaalsContact C-CE 3.44Å; T505-M524 CarbonylContact O-C 3.53Å; T505-M524 WeakPolarHBondContact O-CA 3.43Å
525Y91.3Very high91.4Very high6 Ų629.1 Ų29.12%0.02415%0.15CC..BIsolated β-bridgetrans-134160.6-174.565.8-96.7000112.5R472 A504 T505 T507 I519 V529R472-Y525 HydrophobicContact CG-CE2 4.39Å; R472-Y525 PolarHBondContact NH1-OH 3.45Å; R472-Y525 VanDerWaalsContact NH1-OH 3.13Å; A504-Y525 CarbonylContact C-O 3.6Å; A504-Y525 VanDerWaalsContact CA-O 3.3Å; A504-Y525 WeakPolarHBondContact CA-O 2.94Å; A504-Y525 WeakPolarHBondContact CB-O 3.27Å; T505-Y525 HydrophobicContact CG2-CD2 3.9Å; T505-Y525 HydrophobicContact CG2-CE1 4.14Å; T505-Y525 HydrophobicContact CG2-CE2 3.36Å; T505-Y525 HydrophobicContact CG2-CG 4.49Å; T505-Y525 PolarHBondContact N-O 2.96Å; T505-Y525 VanDerWaalsContact O-CD1 3.31Å; T505-Y525 WeakPolarHBondContact O-CD1 3.43Å; T505-Y525 PolarHBondContact O-N 3.14Å; T507-Y525 VanDerWaalsContact O-CE1 3.28Å; T507-Y525 WeakPolarHBondContact O-CE1 3.23Å; T507-Y525 PolarHBondContact O-OH 3.46Å; I519-Y525 HydrophobicContact CD1-CE1 4.32Å; I519-Y525 HydrophobicContact CG1-CD1 3.78Å; I519-Y525 HydrophobicContact CG1-CE1 3.84Å; I519-Y525 HydrophobicContact CG1-CG 4.2Å; Y525-V529 HydrophobicContact CD2-CB 4.31Å; Y525-V529 HydrophobicContact CD2-CG1 3.46Å; Y525-V529 VanDerWaalsContact CD2-CG1 3.46Å; Y525-V529 HydrophobicContact CD2-CG2 3.85Å; Y525-V529 HydrophobicContact CE2-CG1 4.21Å; Y525-V529 HydrophobicContact CE2-CG2 4.04Å; Y525-V529 HydrophobicContact CG-CG1 3.67Å
526G94.9Very high91.9Very high13 Ų1328.9 Ų28.913%0.13415%0.149CC..  trans-130-143.1175.900000110.6S528G526-S528 PolarHBondContact O-N 2.98Å
527P96.5Very high92.2Very high39 Ų3928.9 Ų28.925%0.25315%0.148SC..THydrogen-bonded Turntrans-57.9-13.5179-27.436.5000116V470 V529 D530V470-P527 HydrophobicContact CG2-CG 4.19Å; P527-V529 PolarHBondContact O-N 3Å; P527-V529 VanDerWaalsContact O-N 3.13Å; P527-D530 PolarHBondContact O-N 3.22Å
528S97.1Very high92.4Very high15 Ų1528.7 Ų28.711%0.10515%0.147CC..Hα-helixtrans-56.5-30.4-179.262.90000114.1E518 G526 W531 W532 R590 C593E518-S528 PolarHBondContact OE1-OG 3.37Å; G526-S528 PolarHBondContact O-N 2.98Å; S528-W531 PolarHBondContact O-N 3.33Å; S528-W532 PolarHBondContact O-N 2.79Å; S528-R590 PolarHBondContact O-NH1 3.17Å; S528-C593 VanDerWaalsContact CA-SG 3.56Å; S528-C593 WeakPolarHBondContact CB-SG 3.47Å
529V97.9Very high92.7Very high7 Ų729 Ų294%0.04215%0.148CC..Hα-helixtrans-71.6-31.3-177-55.90000112.1V470 R472 A516 E518 I519 Y525 P527 W532 A533V470-V529 HydrophobicContact CG1-CG2 3.83Å; R472-V529 HydrophobicContact CG-CG2 4.25Å; A516-V529 HydrophobicContact CB-CB 4.03Å; A516-V529 HydrophobicContact CB-CG1 3.92Å; E518-V529 HydrophobicContact CG-CG1 4.07Å; I519-V529 HydrophobicContact CD1-CB 4.04Å; I519-V529 HydrophobicContact CD1-CG1 3.77Å; I519-V529 HydrophobicContact CG1-CG1 3.82Å; Y525-V529 HydrophobicContact CD2-CB 4.31Å; Y525-V529 HydrophobicContact CD2-CG1 3.46Å; Y525-V529 VanDerWaalsContact CD2-CG1 3.46Å; Y525-V529 HydrophobicContact CD2-CG2 3.85Å; Y525-V529 HydrophobicContact CE2-CG1 4.21Å; Y525-V529 HydrophobicContact CE2-CG2 4.04Å; Y525-V529 HydrophobicContact CG-CG1 3.67Å; P527-V529 PolarHBondContact O-N 3Å; P527-V529 VanDerWaalsContact O-N 3.13Å; V529-W532 PolarHBondContact O-N 2.77Å; V529-A533 PolarHBondContact O-N 3.18Å
530D98.5Very high93.4Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-73-35.8177.1-69.6-22.2000111L461 H465 V470 Y471 R472 P527 A533 L534L461-D530 HydrophobicContact CD1-CB 4.38Å; L461-D530 HydrophobicContact CD2-CB 4.2Å; H465-D530 IonicContact CD2-OD2 3.03Å; H465-D530 IonicContact NE2-OD2 2.78Å; H465-D530 PolarHBondContact NE2-OD2 2.87Å; H465-D530 VanDerWaalsContact NE2-OD2 3.12Å; V470-D530 WeakPolarHBondContact CG1-OD2 3.16Å; Y471-D530 WeakPolarHBondContact CB-OD2 3.34Å; Y471-D530 PolarHBondContact N-OD2 3.16Å; R472-D530 WeakPolarHBondContact CA-OD1 3.31Å; R472-D530 PolarHBondContact N-OD1 2.86Å; P527-D530 PolarHBondContact O-N 3.22Å; D530-A533 PolarHBondContact O-N 2.86Å; D530-L534 WeakPolarHBondContact O-CB 3.49Å; D530-L534 PolarHBondContact O-N 3.34Å
531W98.6Very high94.2Very high1 Ų128.1 Ų28.10%0.00414%0.143CC..Hα-helixtrans-66.3-35.6173.2-64.1125.5000113T458 L461 M462 H465 S528 L534 G535 F582 E600 V603T458-W531 HydrophobicContact CG2-CH2 4.03Å; T458-W531 HydrophobicContact CG2-CZ3 4.05Å; L461-W531 HydrophobicContact CB-CH2 4.42Å; L461-W531 HydrophobicContact CD1-CZ3 4.4Å; M462-W531 HydrophobicContact CG-CH2 3.83Å; M462-W531 HydrophobicContact CG-CZ2 4.15Å; H465-W531 AromaticContact CE1-CE2 3.84Å; H465-W531 AromaticContact CE1-CZ2 3.92Å; H465-W531 AromaticContact CE1-NE1 3.82Å; H465-W531 AromaticContact ND1-CZ2 3.83Å; H465-W531 AromaticContact ND1-NE1 3.96Å; S528-W531 PolarHBondContact O-N 3.33Å; W531-L534 HydrophobicContact CE3-CD2 3.77Å; W531-L534 HydrophobicContact CZ3-CD2 3.68Å; W531-G535 PolarHBondContact O-N 2.93Å; W531-G535 VanDerWaalsContact O-N 3.17Å; W531-F582 HydrophobicContact CB-CD1 4.19Å; W531-F582 HydrophobicContact CB-CE1 4.39Å; W531-F582 HydrophobicContact CD2-CE1 4.37Å; W531-F582 AromaticContact CE3-CE1 3.72Å; W531-F582 HydrophobicContact CE3-CE1 3.72Å; W531-F582 HydrophobicContact CE3-CZ 4.29Å; W531-F582 HydrophobicContact CZ3-CE1 4.45Å; W531-F582 WeakPolarHBondContact O-CD1 3.24Å; W531-E600 HydrophobicContact CZ2-CB 4.19Å; W531-E600 HydrophobicContact CZ2-CG 3.87Å; W531-V603 HydrophobicContact CD2-CG2 4.36Å; W531-V603 HydrophobicContact CE3-CG2 4.21Å; W531-V603 HydrophobicContact CH2-CG1 4.41Å; W531-V603 HydrophobicContact CH2-CG2 4.15Å; W531-V603 HydrophobicContact CZ2-CG2 4.28Å; W531-V603 HydrophobicContact CZ3-CG1 4Å; W531-V603 HydrophobicContact CZ3-CG2 4.11Å
532W98.7Very high95.3Very high1 Ų123.1 Ų23.10%0.00412%0.12CC..Hα-helixtrans-63.7-51.2170.8172.2-87.8000111I515 A516 P517 S528 V529 L534 G535 V536 F548 I560 L583 K585I515-W532 PolarHBondContact O-NE1 3.23Å; A516-W532 VanDerWaalsContact CA-CD1 3.48Å; A516-W532 HydrophobicContact CB-CB 3.91Å; A516-W532 HydrophobicContact CB-CD2 4.45Å; A516-W532 HydrophobicContact CB-CG 3.77Å; P517-W532 HydrophobicContact CG-CD2 4.41Å; P517-W532 HydrophobicContact CG-CE3 4.15Å; P517-W532 HydrophobicContact CG-CH2 3.57Å; P517-W532 HydrophobicContact CG-CZ2 3.86Å; P517-W532 HydrophobicContact CG-CZ3 3.72Å; S528-W532 PolarHBondContact O-N 2.79Å; V529-W532 PolarHBondContact O-N 2.77Å; W532-L534 PolarHBondContact O-N 2.89Å; W532-G535 WeakPolarHBondContact O-CA 3.42Å; W532-G535 PolarHBondContact O-N 3.36Å; W532-V536 PolarHBondContact O-N 3.49Å; W532-F548 HydrophobicContact CH2-CE2 4.06Å; W532-F548 HydrophobicContact CH2-CZ 4.19Å; W532-F548 AromaticContact CZ2-CE2 3.75Å; W532-F548 HydrophobicContact CZ2-CE2 3.75Å; W532-F548 HydrophobicContact CZ2-CZ 4.32Å; W532-I560 HydrophobicContact CZ2-CG2 3.94Å; W532-L583 HydrophobicContact CD2-CD2 4.19Å; W532-L583 HydrophobicContact CE3-CD2 4.22Å; W532-L583 HydrophobicContact CH2-CD2 4.39Å; W532-L583 HydrophobicContact CZ2-CD2 4.35Å; W532-L583 HydrophobicContact CZ3-CB 4.25Å; W532-L583 HydrophobicContact CZ3-CD2 4.33Å; W532-L583 WeakPolarHBondContact CZ3-O 3.29Å; W532-K585 HydrophobicContact CH2-CG 4.36Å; W532-K585 HydrophobicContact CZ3-CG 4.31Å
533A98.6Very high96.1Very high6 Ų616.2 Ų16.25%0.059%0.089CC..Hα-helixtrans-60.5-34.9179.900000112L474 Y514 V529 D530 G535 V536 L537L474-A533 HydrophobicContact CB-CB 3.93Å; L474-A533 HydrophobicContact CD2-CB 4.31Å; Y514-A533 HydrophobicContact CD1-CB 4.34Å; V529-A533 PolarHBondContact O-N 3.18Å; D530-A533 PolarHBondContact O-N 2.86Å; A533-G535 VanDerWaalsContact C-N 3.33Å; A533-G535 PolarHBondContact O-N 2.94Å; A533-V536 PolarHBondContact O-N 2.73Å; A533-L537 WeakPolarHBondContact O-CB 3.36Å; A533-L537 PolarHBondContact O-N 2.91Å
534L98.8Very high96.4Very high0 Ų013.8 Ų13.80%09%0.086CC..Hα-helixtrans-64.1-38.5173.2-176.463.3000111.8T454 I457 L461 L474 D530 W531 W532 L537 L538 F582T454-L534 HydrophobicContact CG2-CD1 3.96Å; T454-L534 HydrophobicContact CG2-CD2 4.26Å; T454-L534 HydrophobicContact CG2-CG 4.18Å; I457-L534 HydrophobicContact CB-CD1 4.15Å; I457-L534 HydrophobicContact CG2-CD1 3.67Å; L461-L534 HydrophobicContact CD1-CB 4.45Å; L461-L534 HydrophobicContact CD1-CD2 4.36Å; L474-L534 HydrophobicContact CD2-CB 3.91Å; L474-L534 HydrophobicContact CD2-CD1 4.07Å; D530-L534 WeakPolarHBondContact O-CB 3.49Å; D530-L534 PolarHBondContact O-N 3.34Å; W531-L534 HydrophobicContact CE3-CD2 3.77Å; W531-L534 HydrophobicContact CZ3-CD2 3.68Å; W532-L534 PolarHBondContact O-N 2.89Å; L534-L537 PolarHBondContact O-N 2.81Å; L534-L538 VanDerWaalsContact O-CB 3.32Å; L534-L538 WeakPolarHBondContact O-CB 3.33Å; L534-L538 PolarHBondContact O-N 2.73Å; L534-F582 HydrophobicContact CD2-CE1 4.32Å; L534-F582 HydrophobicContact CD2-CE2 4.14Å; L534-F582 HydrophobicContact CD2-CZ 3.75Å; L534-F582 HydrophobicContact CG-CE2 4.39Å; L534-F582 HydrophobicContact CG-CZ 4.43Å
535G98.8Very high96.5Very high0 Ų011.7 Ų11.70%08%0.075CC..Hα-helixtrans-61.5-43.4172.200000112.8W531 W532 A533 L538 Y539 L579W531-G535 PolarHBondContact O-N 2.93Å; W531-G535 VanDerWaalsContact O-N 3.17Å; W532-G535 WeakPolarHBondContact O-CA 3.42Å; W532-G535 PolarHBondContact O-N 3.36Å; A533-G535 VanDerWaalsContact C-N 3.33Å; A533-G535 PolarHBondContact O-N 2.94Å; G535-L538 PolarHBondContact O-N 3.22Å; G535-Y539 WeakPolarHBondContact O-CB 3.34Å; G535-Y539 PolarHBondContact O-N 2.83Å; G535-L579 WeakPolarHBondContact O-CD2 3.33Å
536V98.6Very high96.5Very high0 Ų012.1 Ų12.10%08%0.079CC..Hα-helixtrans-63.1-48.6175.9176.10000110.1Y514 W532 A533 L538 Y539 E540 P547 L583Y514-V536 HydrophobicContact CD1-CB 3.86Å; Y514-V536 HydrophobicContact CD1-CG1 3.66Å; Y514-V536 HydrophobicContact CD2-CG1 4.39Å; Y514-V536 HydrophobicContact CE1-CB 4.15Å; Y514-V536 HydrophobicContact CE1-CG1 3.74Å; Y514-V536 HydrophobicContact CE2-CG1 4.42Å; Y514-V536 HydrophobicContact CG-CB 4.5Å; Y514-V536 HydrophobicContact CG-CG1 4.02Å; W532-V536 PolarHBondContact O-N 3.49Å; A533-V536 PolarHBondContact O-N 2.73Å; V536-L538 PolarHBondContact O-N 3.19Å; V536-Y539 WeakPolarHBondContact O-CB 3.41Å; V536-Y539 PolarHBondContact O-N 2.84Å; V536-Y539 VanDerWaalsContact O-N 3.14Å; V536-E540 PolarHBondContact O-N 2.78Å; V536-P547 HydrophobicContact CB-CG 4.41Å; V536-P547 HydrophobicContact CG1-CG 3.98Å; V536-P547 HydrophobicContact CG2-CG 4.17Å; V536-L583 HydrophobicContact CG2-CD2 3.78Å
537L98.4Very high96.4Very high0 Ų012.1 Ų12.10%08%0.077CC..Hα-helixtrans-58.6-45.8178.1-163.7153.5000111.6I457 L474 L476 V479 Y514 A533 L534 Y539 E540 M541I457-L537 HydrophobicContact CD1-CD1 4.36Å; I457-L537 HydrophobicContact CD1-CD2 3.97Å; L474-L537 HydrophobicContact CD1-CD1 3.95Å; L474-L537 HydrophobicContact CD2-CD1 4.14Å; L474-L537 HydrophobicContact CG-CD1 3.72Å; L476-L537 HydrophobicContact CD2-CD2 4.29Å; L476-L537 HydrophobicContact CD2-CG 4.17Å; V479-L537 HydrophobicContact CG2-CD1 3.9Å; Y514-L537 HydrophobicContact CE1-CB 3.89Å; Y514-L537 HydrophobicContact CE1-CG 4.41Å; A533-L537 WeakPolarHBondContact O-CB 3.36Å; A533-L537 PolarHBondContact O-N 2.91Å; L534-L537 PolarHBondContact O-N 2.81Å; L537-Y539 PolarHBondContact O-N 3.49Å; L537-E540 PolarHBondContact O-N 3Å; L537-M541 HydrophobicContact CD2-CE 3.48Å; L537-M541 VanDerWaalsContact CD2-CE 3.48Å; L537-M541 HydrophobicContact CD2-CG 4.05Å; L537-M541 HydrophobicContact CD2-SD 3.76Å; L537-M541 WeakPolarHBondContact O-CG 3.5Å; L537-M541 PolarHBondContact O-N 3.17Å
538L98.8Very high96.1Very high0 Ų010.7 Ų10.70%07%0.067CC..Hα-helixtrans-63.2-40.6176.4175.358.6000111.9A450 T454 L534 G535 V536 M541 L542 I578 L579 F608A450-L538 HydrophobicContact CB-CD1 4.15Å; T454-L538 HydrophobicContact CG2-CD2 4.35Å; T454-L538 WeakPolarHBondContact OG1-CD1 3.48Å; L534-L538 VanDerWaalsContact O-CB 3.32Å; L534-L538 WeakPolarHBondContact O-CB 3.33Å; L534-L538 PolarHBondContact O-N 2.73Å; G535-L538 PolarHBondContact O-N 3.22Å; V536-L538 PolarHBondContact O-N 3.19Å; L538-M541 HydrophobicContact CD1-CE 4.18Å; L538-M541 PolarHBondContact O-N 2.92Å; L538-L542 HydrophobicContact CD1-CD1 3.63Å; L538-L542 HydrophobicContact CD1-CG 3.88Å; L538-L542 HydrophobicContact CG-CD1 3.91Å; L538-L542 WeakPolarHBondContact O-CB 3.42Å; L538-L542 WeakPolarHBondContact O-CG 3.3Å; L538-L542 PolarHBondContact O-N 2.83Å; L538-I578 HydrophobicContact CD2-CG2 3.66Å; L538-L579 HydrophobicContact CB-CD2 4.06Å; L538-L579 HydrophobicContact CD2-CD2 4Å; L538-L579 HydrophobicContact CD2-CG 4.38Å; L538-L579 HydrophobicContact CG-CD2 3.8Å; L538-L579 HydrophobicContact CG-CG 4.47Å; L538-F608 HydrophobicContact CD1-CE1 4.08Å; L538-F608 HydrophobicContact CD1-CZ 3.83Å; L538-F608 HydrophobicContact CD2-CE1 4.01Å; L538-F608 HydrophobicContact CD2-CZ 4.24Å
539Y98.6Very high95.2Very high8 Ų816.4 Ų16.43%0.0319%0.092CC..Hα-helixtrans-60-48.5175.9-175.2-81.1000110.5G535 V536 L537 M541 L542 S543 H545 P547 I565 V566 Y567 L579G535-Y539 WeakPolarHBondContact O-CB 3.34Å; G535-Y539 PolarHBondContact O-N 2.83Å; V536-Y539 WeakPolarHBondContact O-CB 3.41Å; V536-Y539 PolarHBondContact O-N 2.84Å; V536-Y539 VanDerWaalsContact O-N 3.14Å; L537-Y539 PolarHBondContact O-N 3.49Å; Y539-M541 PolarHBondContact O-N 3.39Å; Y539-L542 PolarHBondContact O-N 2.93Å; Y539-S543 VanDerWaalsContact O-CB 3.26Å; Y539-S543 WeakPolarHBondContact O-CB 3.45Å; Y539-S543 PolarHBondContact O-N 3.49Å; Y539-S543 PolarHBondContact O-OG 3.49Å; Y539-H545 VanDerWaalsContact CD1-O 3.28Å; Y539-H545 WeakPolarHBondContact CD1-O 3.26Å; Y539-H545 AromaticContact CE1-CE1 3.68Å; Y539-H545 AromaticContact CE1-ND1 3.82Å; Y539-H545 WeakPolarHBondContact CE1-O 3.13Å; Y539-H545 AromaticContact CZ-CE1 3.95Å; Y539-H545 PolarHBondContact OH-CE1 2.93Å; Y539-H545 VanDerWaalsContact OH-CE1 3.3Å; Y539-P547 HydrophobicContact CD1-CB 3.8Å; Y539-P547 HydrophobicContact CD1-CG 4.27Å; Y539-P547 HydrophobicContact CD2-CB 4.13Å; Y539-P547 VanDerWaalsContact CE1-CA 3.49Å; Y539-P547 HydrophobicContact CE1-CB 4.02Å; Y539-P547 HydrophobicContact CE2-CB 4.33Å; Y539-P547 HydrophobicContact CG-CB 3.86Å; Y539-P547 HydrophobicContact CG-CG 4.37Å; Y539-I565 HydrophobicContact CD2-CG2 4.1Å; Y539-I565 HydrophobicContact CE2-CG2 3.58Å; Y539-V566 PolarHBondContact OH-O 2.92Å; Y539-Y567 HydrophobicContact CD2-CE1 4.38Å; Y539-Y567 HydrophobicContact CE2-CD1 4.22Å; Y539-Y567 HydrophobicContact CE2-CE1 4.39Å; Y539-L579 HydrophobicContact CD2-CD1 4.14Å; Y539-L579 HydrophobicContact CD2-CD2 4.48Å
540E96.9Very high94.1Very high18 Ų1817.5 Ų17.58%0.08410%0.102CC..Hα-helixtrans-59.4-46178.2-76.3-174.2-164.300111.6I439 L476 Y514 V536 L537 L542 S543 G544I439-E540 WeakPolarHBondContact CD1-O 3.36Å; L476-E540 HydrophobicContact CD1-CB 4.3Å; L476-E540 WeakPolarHBondContact CD1-OE2 3.38Å; Y514-E540 PolarHBondContact OH-OE1 2.8Å; Y514-E540 PolarHBondContact OH-OE2 2.78Å; V536-E540 PolarHBondContact O-N 2.78Å; L537-E540 PolarHBondContact O-N 3Å; E540-L542 VanDerWaalsContact C-N 3.29Å; E540-L542 PolarHBondContact O-N 3.22Å; E540-S543 PolarHBondContact O-N 3.19Å; E540-G544 VanDerWaalsContact O-CA 3.26Å; E540-G544 WeakPolarHBondContact O-CA 3.2Å; E540-G544 PolarHBondContact O-N 3.09Å
541M98.1Very high92.2Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-57.8-40.3176.3-72.5-166.7-61.500112.8L435 F445 A450 Y453 T454 L476 L537 L538 Y539L435-M541 HydrophobicContact CD1-SD 4.09Å; F445-M541 HydrophobicContact CD2-CB 3.9Å; F445-M541 HydrophobicContact CD2-CG 3.67Å; F445-M541 HydrophobicContact CD2-SD 3.79Å; F445-M541 HydrophobicContact CE2-CG 3.93Å; F445-M541 HydrophobicContact CE2-SD 4.03Å; F445-M541 PolarHBondContact N-O 3.02Å; A450-M541 HydrophobicContact CB-CB 3.97Å; A450-M541 HydrophobicContact CB-CE 4.21Å; Y453-M541 HydrophobicContact CD2-SD 4.13Å; T454-M541 WeakPolarHBondContact OG1-CE 3.12Å; L476-M541 HydrophobicContact CD2-CG 4.14Å; L537-M541 HydrophobicContact CD2-CE 3.48Å; L537-M541 VanDerWaalsContact CD2-CE 3.48Å; L537-M541 HydrophobicContact CD2-CG 4.05Å; L537-M541 HydrophobicContact CD2-SD 3.76Å; L537-M541 WeakPolarHBondContact O-CG 3.5Å; L537-M541 PolarHBondContact O-N 3.17Å; L538-M541 HydrophobicContact CD1-CE 4.18Å; L538-M541 PolarHBondContact O-N 2.92Å; Y539-M541 PolarHBondContact O-N 3.39Å
542L97.9Very high90.6Very high6 Ų627.2 Ų27.23%0.03115%0.148CC..Hα-helixtrans-83.6-31.5-175.9-69.5173.6000113.9K444 E447 A450 L538 Y539 E540 L571 A575 L579K444-L542 WeakPolarHBondContact CD-O 3.28Å; E447-L542 HydrophobicContact CB-CD2 4.17Å; E447-L542 HydrophobicContact CG-CD2 4.08Å; A450-L542 HydrophobicContact CB-CD2 3.66Å; A450-L542 HydrophobicContact CB-CG 4.12Å; L538-L542 HydrophobicContact CD1-CD1 3.63Å; L538-L542 HydrophobicContact CD1-CG 3.88Å; L538-L542 HydrophobicContact CG-CD1 3.91Å; L538-L542 WeakPolarHBondContact O-CB 3.42Å; L538-L542 WeakPolarHBondContact O-CG 3.3Å; L538-L542 PolarHBondContact O-N 2.83Å; Y539-L542 PolarHBondContact O-N 2.93Å; E540-L542 VanDerWaalsContact C-N 3.29Å; E540-L542 PolarHBondContact O-N 3.22Å; L542-L571 HydrophobicContact CB-CD2 3.8Å; L542-L571 HydrophobicContact CD1-CD2 4.44Å; L542-A575 HydrophobicContact CD1-CB 3.94Å; L542-L579 HydrophobicContact CD1-CD1 4.09Å
543S94.1Very high88.9Confident11 Ų1128 Ų288%0.07715%0.152CC..Hα-helixtrans-104-27.7-172.5-57.90000112.9Y539 E540Y539-S543 VanDerWaalsContact O-CB 3.26Å; Y539-S543 WeakPolarHBondContact O-CB 3.45Å; Y539-S543 PolarHBondContact O-N 3.49Å; Y539-S543 PolarHBondContact O-OG 3.49Å; E540-S543 PolarHBondContact O-N 3.19Å
544G88.2Confident87.5Confident35 Ų3529.9 Ų29.936%0.36116%0.161SC..SBendtrans82.89-177.400000114.9R443 E540R443-G544 WeakPolarHBondContact O-CA 3.41Å; E540-G544 VanDerWaalsContact O-CA 3.26Å; E540-G544 WeakPolarHBondContact O-CA 3.2Å; E540-G544 PolarHBondContact O-N 3.09Å
545H88.3Confident86.2Confident80 Ų8033.8 Ų33.837%0.3718%0.182SC..SBendtrans-152.3164.517863.982.7000109.7Y539Y539-H545 VanDerWaalsContact CD1-O 3.28Å; Y539-H545 WeakPolarHBondContact CD1-O 3.26Å; Y539-H545 AromaticContact CE1-CE1 3.68Å; Y539-H545 AromaticContact CE1-ND1 3.82Å; Y539-H545 WeakPolarHBondContact CE1-O 3.13Å; Y539-H545 AromaticContact CZ-CE1 3.95Å; Y539-H545 PolarHBondContact OH-CE1 2.93Å; Y539-H545 VanDerWaalsContact OH-CE1 3.3Å
546A90.8Very high85.1Confident14 Ų1434 Ų3412%0.11618%0.184CC..  trans-67.9153-179.700000111.9F548 E549A546-F548 VanDerWaalsContact C-N 3.28Å; A546-F548 WeakPolarHBondContact CB-O 3.34Å; A546-F548 PolarHBondContact O-N 3.45Å; A546-E549 HydrophobicContact CB-CG 4.35Å
547P91.4Very high84.3Confident14 Ų1434.9 Ų34.99%0.09119%0.187CC..SBendtrans-70.2-24.2176.325.8-31.9000113.5V536 Y539 I565V536-P547 HydrophobicContact CB-CG 4.41Å; V536-P547 HydrophobicContact CG1-CG 3.98Å; V536-P547 HydrophobicContact CG2-CG 4.17Å; Y539-P547 HydrophobicContact CD1-CB 3.8Å; Y539-P547 HydrophobicContact CD1-CG 4.27Å; Y539-P547 HydrophobicContact CD2-CB 4.13Å; Y539-P547 VanDerWaalsContact CE1-CA 3.49Å; Y539-P547 HydrophobicContact CE1-CB 4.02Å; Y539-P547 HydrophobicContact CE2-CB 4.33Å; Y539-P547 HydrophobicContact CG-CB 3.86Å; Y539-P547 HydrophobicContact CG-CG 4.37Å; P547-I565 HydrophobicContact CB-CD1 4.09Å; P547-I565 HydrophobicContact CB-CG1 4.43Å; P547-I565 HydrophobicContact CB-CG2 4.06Å
548F90.7Very high83.4Confident8 Ų840.1 Ų40.14%0.03521%0.212CC..SBendtrans-128.8135176-52.9-80.7000108.2W532 A546 L556 S559 I560 I565W532-F548 HydrophobicContact CH2-CE2 4.06Å; W532-F548 HydrophobicContact CH2-CZ 4.19Å; W532-F548 AromaticContact CZ2-CE2 3.75Å; W532-F548 HydrophobicContact CZ2-CE2 3.75Å; W532-F548 HydrophobicContact CZ2-CZ 4.32Å; A546-F548 VanDerWaalsContact C-N 3.28Å; A546-F548 WeakPolarHBondContact CB-O 3.34Å; A546-F548 PolarHBondContact O-N 3.45Å; F548-L556 HydrophobicContact CB-CD1 3.74Å; F548-S559 WeakPolarHBondContact CE1-O 3.29Å; F548-I560 HydrophobicContact CB-CG1 4.11Å; F548-I560 HydrophobicContact CD1-CG1 4.48Å; F548-I560 HydrophobicContact CD2-CG1 3.63Å; F548-I560 HydrophobicContact CE2-CG1 4.15Å; F548-I560 HydrophobicContact CG-CG1 3.82Å; F548-I565 HydrophobicContact CE1-CD1 4.39Å; F548-I565 HydrophobicContact CE1-CG1 3.74Å; F548-I565 HydrophobicContact CE2-CD1 3.87Å; F548-I565 HydrophobicContact CE2-CG1 4.09Å; F548-I565 HydrophobicContact CZ-CD1 3.56Å; F548-I565 HydrophobicContact CZ-CG1 3.39Å
549E78.6Confident82.6Confident136 Ų13640.5 Ų40.564%0.63622%0.215SC*.  trans-137136178.3-66.2-174.3158.100108.8A546A546-E549 HydrophobicContact CB-CG 4.35Å
550A74.2Confident82Confident30 Ų3040.2 Ų40.225%0.24821%0.213CC..  trans-148.9164175.200000111.4N552 D555 L556A550-N552 VanDerWaalsContact C-N 3.26Å; A550-N552 PolarHBondContact O-N 3.08Å; A550-D555 HydrophobicContact CB-CB 3.65Å; A550-L556 HydrophobicContact CB-CB 3.92Å; A550-L556 VanDerWaalsContact CB-N 3.28Å
551E59.1Low81.4Confident165 Ų16541.1 Ų41.177%0.77122%0.219SC*.SBendtrans-75.4-17.3179-63.7-169.317200113.1
552N64.8Low80.9Confident40 Ų4046.3 Ų46.321%0.21425%0.246CC..SBendtrans-151.9165.7176.966.383.5000111.2A550 D554 D555 L556A550-N552 VanDerWaalsContact C-N 3.26Å; A550-N552 PolarHBondContact O-N 3.08Å; N552-D554 PolarHBondContact O-N 3.37Å; N552-D554 PolarHBondContact OD1-N 3.3Å; N552-D555 VanDerWaalsContact ND2-CG 3.34Å; N552-D555 PolarHBondContact ND2-OD2 2.74Å; N552-D555 PolarHBondContact O-N 3.46Å; N552-D555 PolarHBondContact OD1-N 2.99Å; N552-D555 VanDerWaalsContact OD1-N 3.09Å; N552-L556 PolarHBondContact O-N 3Å
553E63.3Low80.5Confident17 Ų1751 Ų518%0.07927%0.268CS..Hα-helixtrans-66.9-36-174.6-66.6179.8161.900114.3R177 Q178 D555 L556 F557R177-E553 VanDerWaalsContact CB-OE2 3.32Å; R177-E553 WeakPolarHBondContact CB-OE2 3.48Å; Q178-E553 WeakPolarHBondContact CA-OE1 3.36Å; Q178-E553 WeakPolarHBondContact CB-OE1 3.46Å; Q178-E553 VanDerWaalsContact CB-OE2 3.28Å; Q178-E553 WeakPolarHBondContact CB-OE2 3.43Å; Q178-E553 PolarHBondContact N-OE2 3.36Å; E553-D555 VanDerWaalsContact C-N 3.3Å; E553-D555 PolarHBondContact O-N 3.32Å; E553-L556 PolarHBondContact O-N 2.82Å; E553-F557 HydrophobicContact CB-CE2 4.07Å; E553-F557 HydrophobicContact CB-CZ 4.07Å; E553-F557 WeakPolarHBondContact O-CB 3.41Å; E553-F557 WeakPolarHBondContact O-CD1 3.39Å; E553-F557 VanDerWaalsContact O-CD2 3.3Å; E553-F557 WeakPolarHBondContact O-CD2 3.49Å; E553-F557 WeakPolarHBondContact O-CG 3.39Å; E553-F557 PolarHBondContact O-N 3.3Å
554D69Low80.5Confident45 Ų4557.6 Ų57.624%0.24130%0.302CS..Hα-helixtrans-65-42.7180-64.8-42.5000109.1H26 R177 N552 F557 E558H26-D554 IonicContact CE1-OD2 2.92Å; H26-D554 IonicContact NE2-OD2 3.95Å; R177-D554 IonicContact CZ-OD1 2.71Å; R177-D554 IonicContact NH1-OD1 3.12Å; R177-D554 PolarHBondContact NH1-OD1 2.97Å; N552-D554 PolarHBondContact O-N 3.37Å; N552-D554 PolarHBondContact OD1-N 3.3Å; D554-F557 PolarHBondContact O-N 3.03Å; D554-E558 WeakPolarHBondContact O-CB 3.48Å; D554-E558 VanDerWaalsContact O-CG 3.3Å; D554-E558 WeakPolarHBondContact O-CG 3.3Å; D554-E558 PolarHBondContact O-N 3.49Å
555D71.3Confident80.8Confident82 Ų8257 Ų5744%0.43929%0.291SS..Hα-helixtrans-65.2-39.5172.9-66.4-17000111.9A550 N552 E553 F557 E558 S559A550-D555 HydrophobicContact CB-CB 3.65Å; N552-D555 VanDerWaalsContact ND2-CG 3.34Å; N552-D555 PolarHBondContact ND2-OD2 2.74Å; N552-D555 PolarHBondContact O-N 3.46Å; N552-D555 PolarHBondContact OD1-N 2.99Å; N552-D555 VanDerWaalsContact OD1-N 3.09Å; E553-D555 VanDerWaalsContact C-N 3.3Å; E553-D555 PolarHBondContact O-N 3.32Å; D555-F557 PolarHBondContact O-N 3.3Å; D555-E558 PolarHBondContact O-N 2.8Å; D555-S559 WeakPolarHBondContact O-CB 3.38Å; D555-S559 PolarHBondContact O-N 3.48Å; D555-S559 PolarHBondContact O-OG 3.25Å
556L77.1Confident81.1Confident6 Ų658.5 Ų58.53%0.03131%0.306CS..Hα-helixtrans-61.7-44.5176.1179.162.7000111.3P512 F548 A550 N552 E553 S559 I560P512-L556 HydrophobicContact CB-CD2 4.12Å; F548-L556 HydrophobicContact CB-CD1 3.74Å; A550-L556 HydrophobicContact CB-CB 3.92Å; A550-L556 VanDerWaalsContact CB-N 3.28Å; N552-L556 PolarHBondContact O-N 3Å; E553-L556 PolarHBondContact O-N 2.82Å; L556-S559 WeakPolarHBondContact O-CB 3.39Å; L556-S559 PolarHBondContact O-N 3.33Å; L556-I560 HydrophobicContact CD1-CD1 4.39Å; L556-I560 HydrophobicContact CG-CD1 4.06Å; L556-I560 VanDerWaalsContact O-CG1 3.3Å; L556-I560 WeakPolarHBondContact O-CG1 3.31Å; L556-I560 PolarHBondContact O-N 3.4Å
557F81.4Confident81.3Confident17 Ų1760.4 Ų60.48%0.07531%0.31CS..Hα-helixtrans-66.1-41.5178.5-63.4-17.6000111F508 P512 I515 L520 E553 D554 D555 S559 I560 L561F508-F557 HydrophobicContact CZ-CE2 4.46Å; F508-F557 HydrophobicContact CZ-CZ 4.5Å; P512-F557 HydrophobicContact CB-CE1 4.06Å; P512-F557 HydrophobicContact CB-CZ 4.45Å; I515-F557 HydrophobicContact CG2-CD1 4.31Å; I515-F557 HydrophobicContact CG2-CE1 4.09Å; L520-F557 HydrophobicContact CD1-CB 3.87Å; L520-F557 HydrophobicContact CD1-CD1 3.98Å; L520-F557 HydrophobicContact CD1-CG 4.1Å; L520-F557 HydrophobicContact CD2-CB 4.1Å; L520-F557 HydrophobicContact CD2-CD1 3.57Å; L520-F557 HydrophobicContact CD2-CD2 3.89Å; L520-F557 HydrophobicContact CD2-CE1 3.9Å; L520-F557 HydrophobicContact CD2-CE2 4.19Å; L520-F557 HydrophobicContact CD2-CG 3.57Å; L520-F557 HydrophobicContact CD2-CZ 4.2Å; L520-F557 HydrophobicContact CG-CD1 4.44Å; L520-F557 HydrophobicContact CG-CG 4.48Å; E553-F557 HydrophobicContact CB-CE2 4.07Å; E553-F557 HydrophobicContact CB-CZ 4.07Å; E553-F557 WeakPolarHBondContact O-CB 3.41Å; E553-F557 WeakPolarHBondContact O-CD1 3.39Å; E553-F557 VanDerWaalsContact O-CD2 3.3Å; E553-F557 WeakPolarHBondContact O-CD2 3.49Å; E553-F557 WeakPolarHBondContact O-CG 3.39Å; E553-F557 PolarHBondContact O-N 3.3Å; D554-F557 PolarHBondContact O-N 3.03Å; D555-F557 PolarHBondContact O-N 3.3Å; F557-S559 VanDerWaalsContact C-N 3.33Å; F557-S559 PolarHBondContact O-N 2.97Å; F557-I560 HydrophobicContact CD1-CD1 4.37Å; F557-I560 PolarHBondContact O-N 3.3Å; F557-L561 WeakPolarHBondContact O-CB 3.17Å; F557-L561 VanDerWaalsContact O-CG 3.23Å; F557-L561 WeakPolarHBondContact O-CG 3.43Å; F557-L561 PolarHBondContact O-N 3.33Å
558E78.1Confident81.3Confident110 Ų11060.6 Ų60.651%0.51431%0.313SS..Hα-helixtrans-61.5-40.4172-72.7-64.8151.900111.7D554 D555 L561 N562D554-E558 WeakPolarHBondContact O-CB 3.48Å; D554-E558 VanDerWaalsContact O-CG 3.3Å; D554-E558 WeakPolarHBondContact O-CG 3.3Å; D554-E558 PolarHBondContact O-N 3.49Å; D555-E558 PolarHBondContact O-N 2.8Å; E558-L561 PolarHBondContact O-N 2.89Å; E558-N562 WeakPolarHBondContact O-CB 3.41Å; E558-N562 PolarHBondContact O-N 3.13Å; E558-N562 PolarHBondContact O-ND2 3.38Å; E558-N562 PolarHBondContact OE2-ND2 3.31Å
559S81.7Confident81.5Confident9 Ų966 Ų666%0.06335%0.351CS..Hα-helixtrans-60.8-49173.4-74.20000111.7F548 D555 L556 F557 L561 N562 E563F548-S559 WeakPolarHBondContact CE1-O 3.29Å; D555-S559 WeakPolarHBondContact O-CB 3.38Å; D555-S559 PolarHBondContact O-N 3.48Å; D555-S559 PolarHBondContact O-OG 3.25Å; L556-S559 WeakPolarHBondContact O-CB 3.39Å; L556-S559 PolarHBondContact O-N 3.33Å; F557-S559 VanDerWaalsContact C-N 3.33Å; F557-S559 PolarHBondContact O-N 2.97Å; S559-L561 VanDerWaalsContact C-N 3.26Å; S559-L561 PolarHBondContact O-N 3.3Å; S559-N562 PolarHBondContact O-N 2.97Å; S559-E563 WeakPolarHBondContact CB-OE2 3.28Å; S559-E563 WeakPolarHBondContact O-CB 3.27Å; S559-E563 PolarHBondContact O-N 2.92Å; S559-E563 PolarHBondContact OG-OE1 2.86Å; S559-E563 PolarHBondContact OG-OE2 3.13Å
560I86.4Confident82.2Confident1 Ų166.7 Ų66.71%0.00535%0.348CS..Hα-helixtrans-56.8-42.4176.8-70.8165.7000110.9I515 P517 L520 W532 F548 L556 F557 K585I515-I560 HydrophobicContact CG2-CD1 4Å; P517-I560 HydrophobicContact CG-CG2 3.9Å; L520-I560 HydrophobicContact CD1-CB 3.95Å; L520-I560 HydrophobicContact CD1-CD1 4.23Å; L520-I560 HydrophobicContact CD1-CG2 3.7Å; W532-I560 HydrophobicContact CZ2-CG2 3.94Å; F548-I560 HydrophobicContact CB-CG1 4.11Å; F548-I560 HydrophobicContact CD1-CG1 4.48Å; F548-I560 HydrophobicContact CD2-CG1 3.63Å; F548-I560 HydrophobicContact CE2-CG1 4.15Å; F548-I560 HydrophobicContact CG-CG1 3.82Å; L556-I560 HydrophobicContact CD1-CD1 4.39Å; L556-I560 HydrophobicContact CG-CD1 4.06Å; L556-I560 VanDerWaalsContact O-CG1 3.3Å; L556-I560 WeakPolarHBondContact O-CG1 3.31Å; L556-I560 PolarHBondContact O-N 3.4Å; F557-I560 HydrophobicContact CD1-CD1 4.37Å; F557-I560 PolarHBondContact O-N 3.3Å; I560-K585 WeakPolarHBondContact O-CE 3.43Å; I560-K585 PolarHBondContact O-NZ 3.39Å
561L85.5Confident83.3Confident37 Ų3766.2 Ų66.219%0.19434%0.342CS..Hα-helixtrans-73.8-40.3-178.3-69.2175000112.8P517 L520 Q521 F557 E558 S559 K585P517-L561 HydrophobicContact CB-CD2 4.05Å; L520-L561 HydrophobicContact CB-CD1 4.39Å; L520-L561 HydrophobicContact CB-CD2 4.1Å; L520-L561 HydrophobicContact CB-CG 4.4Å; L520-L561 HydrophobicContact CD1-CD2 4.42Å; L520-L561 HydrophobicContact CD1-CG 4.21Å; Q521-L561 HydrophobicContact CG-CD2 3.69Å; F557-L561 WeakPolarHBondContact O-CB 3.17Å; F557-L561 VanDerWaalsContact O-CG 3.23Å; F557-L561 WeakPolarHBondContact O-CG 3.43Å; F557-L561 PolarHBondContact O-N 3.33Å; E558-L561 PolarHBondContact O-N 2.89Å; S559-L561 VanDerWaalsContact C-N 3.26Å; S559-L561 PolarHBondContact O-N 3.3Å; L561-K585 VanDerWaalsContact O-CD 3.3Å; L561-K585 WeakPolarHBondContact O-CD 3.16Å; L561-K585 WeakPolarHBondContact O-CE 3.11Å; L561-K585 PolarHBondContact O-NZ 2.84Å
562N86.9Confident85.1Confident109 Ų10959.7 Ų59.758%0.58331%0.314SS*.Hα-helixtrans-117-30.1-163.8-60.6-56.1000114.9E558 S559 K585E558-N562 WeakPolarHBondContact O-CB 3.41Å; E558-N562 PolarHBondContact O-N 3.13Å; E558-N562 PolarHBondContact O-ND2 3.38Å; E558-N562 PolarHBondContact OE2-ND2 3.31Å; S559-N562 PolarHBondContact O-N 2.97Å; N562-K585 PolarHBondContact O-NZ 2.83Å
563E90.5Very high86.7Confident105 Ų10566.1 Ų66.149%0.49134%0.34SS..PPolyproline II helixtrans-83.1149.9-174.3-66.4-178164.100113S559 K585S559-E563 WeakPolarHBondContact CB-OE2 3.28Å; S559-E563 WeakPolarHBondContact O-CB 3.27Å; S559-E563 PolarHBondContact O-N 2.92Å; S559-E563 PolarHBondContact OG-OE1 2.86Å; S559-E563 PolarHBondContact OG-OE2 3.13Å; E563-K585 WeakPolarHBondContact O-CE 3.06Å; E563-K585 PolarHBondContact O-NZ 3.45Å
564D92.6Very high88.4Confident149 Ų14969.4 Ų69.480%0.79736%0.356SS*.PPolyproline II helixtrans-88.9137.7173.1-74.8-36.4000110.3
565I94.8Very high89.8Confident23 Ų2367.2 Ų67.212%0.11834%0.344CS..PPolyproline II helixtrans-72.6132-179.3-57.5178.8000110.4Y539 P547 F548 Y567 L583Y539-I565 HydrophobicContact CD2-CG2 4.1Å; Y539-I565 HydrophobicContact CE2-CG2 3.58Å; P547-I565 HydrophobicContact CB-CD1 4.09Å; P547-I565 HydrophobicContact CB-CG1 4.43Å; P547-I565 HydrophobicContact CB-CG2 4.06Å; F548-I565 HydrophobicContact CE1-CD1 4.39Å; F548-I565 HydrophobicContact CE1-CG1 3.74Å; F548-I565 HydrophobicContact CE2-CD1 3.87Å; F548-I565 HydrophobicContact CE2-CG1 4.09Å; F548-I565 HydrophobicContact CZ-CD1 3.56Å; F548-I565 HydrophobicContact CZ-CG1 3.39Å; I565-Y567 HydrophobicContact CB-CE1 4.44Å; I565-Y567 HydrophobicContact CB-CE2 4.03Å; I565-Y567 HydrophobicContact CG2-CD1 4.37Å; I565-Y567 HydrophobicContact CG2-CE1 3.85Å; I565-Y567 HydrophobicContact CG2-CE2 4.18Å; I565-Y567 WeakPolarHBondContact O-CD2 3.4Å; I565-Y567 VanDerWaalsContact O-CE2 3.27Å; I565-Y567 WeakPolarHBondContact O-CE2 3.37Å; I565-L583 HydrophobicContact CD1-CB 3.56Å; I565-L583 HydrophobicContact CD1-CD1 3.45Å; I565-L583 VanDerWaalsContact CD1-CD1 3.45Å; I565-L583 HydrophobicContact CD1-CD2 4.35Å; I565-L583 HydrophobicContact CD1-CG 3.95Å
566V93.9Very high91.1Very high112 Ų11264.7 Ų64.768%0.67933%0.331SS*.PPolyproline II helixtrans-86.6121173.8-177.50000109.6Y539Y539-V566 PolarHBondContact OH-O 2.92Å
567Y95.6Very high92.1Very high53 Ų5368.3 Ų68.321%0.20835%0.351CS..PPolyproline II helixtrans-100.7125.9176.6-58.7-79.7000110.1Y539 I565 V576 L579 K580Y539-Y567 HydrophobicContact CD2-CE1 4.38Å; Y539-Y567 HydrophobicContact CE2-CD1 4.22Å; Y539-Y567 HydrophobicContact CE2-CE1 4.39Å; I565-Y567 HydrophobicContact CB-CE1 4.44Å; I565-Y567 HydrophobicContact CB-CE2 4.03Å; I565-Y567 HydrophobicContact CG2-CD1 4.37Å; I565-Y567 HydrophobicContact CG2-CE1 3.85Å; I565-Y567 HydrophobicContact CG2-CE2 4.18Å; I565-Y567 WeakPolarHBondContact O-CD2 3.4Å; I565-Y567 VanDerWaalsContact O-CE2 3.27Å; I565-Y567 WeakPolarHBondContact O-CE2 3.37Å; Y567-V576 HydrophobicContact CD1-CG1 4.28Å; Y567-V576 HydrophobicContact CD2-CG1 4.31Å; Y567-V576 HydrophobicContact CG-CG1 3.99Å; Y567-V576 HydrophobicContact CG-CG2 4.5Å; Y567-L579 HydrophobicContact CD1-CB 4.38Å; Y567-L579 HydrophobicContact CD1-CD1 4.11Å; Y567-L579 HydrophobicContact CE1-CB 3.68Å; Y567-L579 HydrophobicContact CE1-CD1 4.13Å; Y567-K580 HydrophobicContact CE1-CG 4.43Å; Y567-K580 HydrophobicContact CE2-CD 4.33Å; Y567-K580 HydrophobicContact CE2-CG 3.74Å
568A92.2Very high92.9Very high18 Ų1867.5 Ų67.515%0.14935%0.347CS..PPolyproline II helixtrans-66.8145.8-179.500000112.5W570 L571A568-W570 HydrophobicContact CB-CD2 3.59Å; A568-W570 HydrophobicContact CB-CE3 3.75Å; A568-W570 HydrophobicContact CB-CG 4.36Å; A568-W570 HydrophobicContact CB-CH2 3.42Å; A568-W570 VanDerWaalsContact CB-CH2 3.42Å; A568-W570 HydrophobicContact CB-CZ2 3.22Å; A568-W570 HydrophobicContact CB-CZ3 3.67Å; A568-W570 PolarHBondContact O-N 2.98Å; A568-L571 HydrophobicContact CB-CD1 4.41Å; A568-L571 HydrophobicContact CB-CG 4.27Å; A568-L571 WeakPolarHBondContact O-CB 3.25Å; A568-L571 PolarHBondContact O-N 3.41Å; A568-L571 VanDerWaalsContact O-N 3.15Å
569S93.8Very high93.9Very high121 Ų12162.3 Ų62.385%0.84632%0.323SS*.THydrogen-bonded Turntrans-67.5-17.4-175.556.90000114.6
570W93.5Very high94.7Very high151 Ų15167.3 Ų67.357%0.57234%0.344SS*.THydrogen-bonded Turntrans-85.1-7.517761.776.6000113.7A568A568-W570 HydrophobicContact CB-CD2 3.59Å; A568-W570 HydrophobicContact CB-CE3 3.75Å; A568-W570 HydrophobicContact CB-CG 4.36Å; A568-W570 HydrophobicContact CB-CH2 3.42Å; A568-W570 VanDerWaalsContact CB-CH2 3.42Å; A568-W570 HydrophobicContact CB-CZ2 3.22Å; A568-W570 HydrophobicContact CB-CZ3 3.67Å; A568-W570 PolarHBondContact O-N 2.98Å
571L97.3Very high95.2Very high20 Ų2068.4 Ų68.411%0.10535%0.353CS..SBendtrans-72.9140.6175.7-62.2177.3000110L542 A568 V576 L579L542-L571 HydrophobicContact CB-CD2 3.8Å; L542-L571 HydrophobicContact CD1-CD2 4.44Å; A568-L571 HydrophobicContact CB-CD1 4.41Å; A568-L571 HydrophobicContact CB-CG 4.27Å; A568-L571 WeakPolarHBondContact O-CB 3.25Å; A568-L571 PolarHBondContact O-N 3.41Å; A568-L571 VanDerWaalsContact O-N 3.15Å; L571-V576 HydrophobicContact CB-CG2 3.62Å; L571-V576 HydrophobicContact CD1-CG2 4.22Å; L571-L579 HydrophobicContact CD1-CD1 4.24Å
572S98Very high95.9Very high29 Ų2966.6 Ų66.620%0.20334%0.344CS..  trans-64.5161.5174.767.10000111.5E447 E574 A575 V576E447-S572 PolarHBondContact OE1-OG 2.82Å; E447-S572 VanDerWaalsContact OE1-OG 3.05Å; E447-S572 WeakPolarHBondContact OE2-CB 3.25Å; E447-S572 PolarHBondContact OE2-OG 2.9Å; S572-E574 PolarHBondContact O-N 2.87Å; S572-A575 PolarHBondContact O-N 3.47Å; S572-A575 WeakPolarHBondContact OG-CB 3.28Å; S572-A575 PolarHBondContact OG-N 3.04Å; S572-A575 VanDerWaalsContact OG-N 3.08Å; S572-V576 WeakPolarHBondContact O-CG2 3.41Å; S572-V576 PolarHBondContact O-N 2.91Å
573K97.9Very high96.4Very high174 Ų17462 Ų6276%0.75732%0.319SS*.Hα-helixtrans-62.5-37.9178-68.7179.2-178.7175.60110.6N577K573-N577 WeakPolarHBondContact O-CB 3.42Å; K573-N577 PolarHBondContact O-N 2.72Å
574E98.1Very high96.8Very high86 Ų8658.9 Ų58.940%0.40231%0.307SS..Hα-helixtrans-67.5-43.8-180-63.368.5-15200110.9S572 N577 I578S572-E574 PolarHBondContact O-N 2.87Å; E574-N577 PolarHBondContact O-N 3.34Å; E574-I578 PolarHBondContact O-N 3.3Å
575A98.4Very high97Very high0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-63.2-47.2175.200000112.1L542 S572 N577 I578 L579 F608L542-A575 HydrophobicContact CD1-CB 3.94Å; S572-A575 PolarHBondContact O-N 3.47Å; S572-A575 WeakPolarHBondContact OG-CB 3.28Å; S572-A575 PolarHBondContact OG-N 3.04Å; S572-A575 VanDerWaalsContact OG-N 3.08Å; A575-N577 VanDerWaalsContact C-N 3.27Å; A575-N577 PolarHBondContact O-N 3.27Å; A575-I578 VanDerWaalsContact O-CG2 3.28Å; A575-I578 WeakPolarHBondContact O-CG2 3.33Å; A575-I578 PolarHBondContact O-N 2.84Å; A575-L579 WeakPolarHBondContact O-CB 3.31Å; A575-L579 WeakPolarHBondContact O-CG 3.29Å; A575-L579 PolarHBondContact O-N 2.87Å; A575-F608 HydrophobicContact CB-CD2 4.19Å; A575-F608 HydrophobicContact CB-CE2 3.91Å
576V98.6Very high97Very high28 Ų2857.6 Ų57.617%0.1730%0.298CS..Hα-helixtrans-63.8-36.6176.5175.80000111.1Y567 L571 S572 K580Y567-V576 HydrophobicContact CD1-CG1 4.28Å; Y567-V576 HydrophobicContact CD2-CG1 4.31Å; Y567-V576 HydrophobicContact CG-CG1 3.99Å; Y567-V576 HydrophobicContact CG-CG2 4.5Å; L571-V576 HydrophobicContact CB-CG2 3.62Å; L571-V576 HydrophobicContact CD1-CG2 4.22Å; S572-V576 WeakPolarHBondContact O-CG2 3.41Å; S572-V576 PolarHBondContact O-N 2.91Å; V576-K580 HydrophobicContact CG1-CD 4.1Å; V576-K580 HydrophobicContact CG1-CG 4.43Å; V576-K580 WeakPolarHBondContact O-CB 3.24Å; V576-K580 WeakPolarHBondContact O-CG 3.2Å; V576-K580 PolarHBondContact O-N 2.93Å
577N98.5Very high97.1Very high83 Ų8353.4 Ų53.444%0.44427%0.273SS..Hα-helixtrans-65.5-47.2-180-177.1-128.7000112.1K573 E574 A575 K580 A581 H606K573-N577 WeakPolarHBondContact O-CB 3.42Å; K573-N577 PolarHBondContact O-N 2.72Å; E574-N577 PolarHBondContact O-N 3.34Å; A575-N577 VanDerWaalsContact C-N 3.27Å; A575-N577 PolarHBondContact O-N 3.27Å; N577-K580 PolarHBondContact O-N 2.78Å; N577-A581 WeakPolarHBondContact O-CB 3.46Å; N577-A581 PolarHBondContact O-N 2.86Å; N577-A581 VanDerWaalsContact O-N 3.13Å; N577-H606 PolarHBondContact OD1-CE1 2.86Å; N577-H606 PolarHBondContact OD1-NE2 2.89Å; N577-H606 VanDerWaalsContact OD1-NE2 3.07Å
578I98.6Very high97.1Very high0 Ų054.3 Ų54.30%029%0.291CS..Hα-helixtrans-67-39.7177.5-164.7166.4000111.9L538 E574 A575 K580 A581 F582 L591 H606 F608 F609L538-I578 HydrophobicContact CD2-CG2 3.66Å; E574-I578 PolarHBondContact O-N 3.3Å; A575-I578 VanDerWaalsContact O-CG2 3.28Å; A575-I578 WeakPolarHBondContact O-CG2 3.33Å; A575-I578 PolarHBondContact O-N 2.84Å; I578-K580 PolarHBondContact O-N 2.91Å; I578-A581 WeakPolarHBondContact O-CB 3.38Å; I578-A581 PolarHBondContact O-N 2.89Å; I578-A581 VanDerWaalsContact O-N 3.08Å; I578-F582 HydrophobicContact CD1-CD2 4.27Å; I578-F582 HydrophobicContact CD1-CE2 3.56Å; I578-F582 HydrophobicContact CD1-CZ 4.18Å; I578-F582 HydrophobicContact CG1-CD2 3.72Å; I578-F582 HydrophobicContact CG1-CE2 3.52Å; I578-F582 HydrophobicContact CG1-CZ 4.32Å; I578-F582 PolarHBondContact O-N 2.9Å; I578-L591 HydrophobicContact CG1-CD2 4.08Å; I578-H606 VanDerWaalsContact CA-CE1 3.5Å; I578-H606 WeakPolarHBondContact CA-CE1 3.22Å; I578-H606 WeakPolarHBondContact CB-CE1 3.45Å; I578-H606 HydrophobicContact CD1-CB 4.27Å; I578-H606 PolarHBondContact N-CE1 2.89Å; I578-F608 HydrophobicContact CB-CB 3.88Å; I578-F608 HydrophobicContact CB-CG 4.22Å; I578-F608 HydrophobicContact CD1-CB 3.8Å; I578-F608 HydrophobicContact CD1-CD1 3.75Å; I578-F608 HydrophobicContact CD1-CG 4.07Å; I578-F608 HydrophobicContact CG1-CB 4.42Å; I578-F608 HydrophobicContact CG2-CB 3.8Å; I578-F608 HydrophobicContact CG2-CD1 3.94Å; I578-F608 HydrophobicContact CG2-CD2 3.88Å; I578-F608 HydrophobicContact CG2-CE1 4.48Å; I578-F608 HydrophobicContact CG2-CE2 4.45Å; I578-F608 HydrophobicContact CG2-CG 3.59Å; I578-F609 HydrophobicContact CD1-CD2 4.19Å; I578-F609 HydrophobicContact CD1-CE2 3.52Å; I578-F609 HydrophobicContact CD1-CZ 3.99Å
579L98.8Very high97.3Very high0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-60.8-45.5178.3-75.1170.6000111.2G535 L538 Y539 L542 Y567 L571 A575 A581 F582 L583G535-L579 WeakPolarHBondContact O-CD2 3.33Å; L538-L579 HydrophobicContact CB-CD2 4.06Å; L538-L579 HydrophobicContact CD2-CD2 4Å; L538-L579 HydrophobicContact CD2-CG 4.38Å; L538-L579 HydrophobicContact CG-CD2 3.8Å; L538-L579 HydrophobicContact CG-CG 4.47Å; Y539-L579 HydrophobicContact CD2-CD1 4.14Å; Y539-L579 HydrophobicContact CD2-CD2 4.48Å; L542-L579 HydrophobicContact CD1-CD1 4.09Å; Y567-L579 HydrophobicContact CD1-CB 4.38Å; Y567-L579 HydrophobicContact CD1-CD1 4.11Å; Y567-L579 HydrophobicContact CE1-CB 3.68Å; Y567-L579 HydrophobicContact CE1-CD1 4.13Å; L571-L579 HydrophobicContact CD1-CD1 4.24Å; A575-L579 WeakPolarHBondContact O-CB 3.31Å; A575-L579 WeakPolarHBondContact O-CG 3.29Å; A575-L579 PolarHBondContact O-N 2.87Å; L579-A581 PolarHBondContact O-N 2.93Å; L579-F582 PolarHBondContact O-N 2.56Å; L579-L583 HydrophobicContact CB-CD1 4.42Å; L579-L583 HydrophobicContact CD2-CD1 4.22Å; L579-L583 WeakPolarHBondContact O-CB 3.38Å; L579-L583 VanDerWaalsContact O-CG 3.31Å; L579-L583 WeakPolarHBondContact O-CG 3.25Å; L579-L583 PolarHBondContact O-N 3.31Å
580K98.4Very high97.5Very high114 Ų11456.7 Ų56.750%0.49628%0.277SS..Hα-helixtrans-60.9-35.8174.6-75.6179.1176.2-175.80112.4Y567 V576 N577 I578 T584Y567-K580 HydrophobicContact CE1-CG 4.43Å; Y567-K580 HydrophobicContact CE2-CD 4.33Å; Y567-K580 HydrophobicContact CE2-CG 3.74Å; V576-K580 HydrophobicContact CG1-CD 4.1Å; V576-K580 HydrophobicContact CG1-CG 4.43Å; V576-K580 WeakPolarHBondContact O-CB 3.24Å; V576-K580 WeakPolarHBondContact O-CG 3.2Å; V576-K580 PolarHBondContact O-N 2.93Å; N577-K580 PolarHBondContact O-N 2.78Å; I578-K580 PolarHBondContact O-N 2.91Å; K580-T584 PolarHBondContact O-N 3.14Å; K580-T584 PolarHBondContact O-OG1 3.04Å
581A98.3Very high97.7Very high24 Ų2450.3 Ų50.320%0.19825%0.254CS..Hα-helixtrans-71.5-41.4-178.600000112.2N577 I578 L579 T584 L591N577-A581 WeakPolarHBondContact O-CB 3.46Å; N577-A581 PolarHBondContact O-N 2.86Å; N577-A581 VanDerWaalsContact O-N 3.13Å; I578-A581 WeakPolarHBondContact O-CB 3.38Å; I578-A581 PolarHBondContact O-N 2.89Å; I578-A581 VanDerWaalsContact O-N 3.08Å; L579-A581 PolarHBondContact O-N 2.93Å; A581-T584 PolarHBondContact O-OG1 2.71Å; A581-L591 HydrophobicContact CB-CB 3.77Å; A581-L591 HydrophobicContact CB-CD2 3.96Å; A581-L591 HydrophobicContact CB-CG 4.37Å; A581-L591 PolarHBondContact O-N 3.37Å
582F98.6Very high97.6Very high0 Ų049.7 Ų49.70%025%0.253CS..Hα-helixtrans-73.2-43.2172.9-74.9-47.6000113.1W531 L534 I578 L579 T584 R590 L591 V603W531-F582 HydrophobicContact CB-CD1 4.19Å; W531-F582 HydrophobicContact CB-CE1 4.39Å; W531-F582 HydrophobicContact CD2-CE1 4.37Å; W531-F582 AromaticContact CE3-CE1 3.72Å; W531-F582 HydrophobicContact CE3-CE1 3.72Å; W531-F582 HydrophobicContact CE3-CZ 4.29Å; W531-F582 HydrophobicContact CZ3-CE1 4.45Å; W531-F582 WeakPolarHBondContact O-CD1 3.24Å; L534-F582 HydrophobicContact CD2-CE1 4.32Å; L534-F582 HydrophobicContact CD2-CE2 4.14Å; L534-F582 HydrophobicContact CD2-CZ 3.75Å; L534-F582 HydrophobicContact CG-CE2 4.39Å; L534-F582 HydrophobicContact CG-CZ 4.43Å; I578-F582 HydrophobicContact CD1-CD2 4.27Å; I578-F582 HydrophobicContact CD1-CE2 3.56Å; I578-F582 HydrophobicContact CD1-CZ 4.18Å; I578-F582 HydrophobicContact CG1-CD2 3.72Å; I578-F582 HydrophobicContact CG1-CE2 3.52Å; I578-F582 HydrophobicContact CG1-CZ 4.32Å; I578-F582 PolarHBondContact O-N 2.9Å; L579-F582 PolarHBondContact O-N 2.56Å; F582-T584 PolarHBondContact O-N 3.01Å; F582-R590 WeakPolarHBondContact O-CD 3.28Å; F582-R590 WeakPolarHBondContact O-CG 3.2Å; F582-R590 PolarHBondContact O-NE 2.84Å; F582-L591 HydrophobicContact CD1-CB 4.13Å; F582-L591 HydrophobicContact CD1-CD2 4.21Å; F582-L591 HydrophobicContact CD1-CG 4.48Å; F582-L591 HydrophobicContact CE1-CB 4.39Å; F582-L591 HydrophobicContact CE1-CD2 3.94Å; F582-L591 HydrophobicContact CE1-CG 4.27Å; F582-L591 HydrophobicContact CZ-CD2 4.15Å; F582-V603 HydrophobicContact CE1-CG1 4.03Å; F582-V603 HydrophobicContact CE1-CG2 4.14Å; F582-V603 HydrophobicContact CZ-CG1 3.63Å
583L98.4Very high97.5Very high11 Ų1150 Ų506%0.05826%0.255CS..THydrogen-bonded Turntrans-85.428.4-177-57.9168.4000112.2W532 V536 I565 L579 K585W532-L583 HydrophobicContact CD2-CD2 4.19Å; W532-L583 HydrophobicContact CE3-CD2 4.22Å; W532-L583 HydrophobicContact CH2-CD2 4.39Å; W532-L583 HydrophobicContact CZ2-CD2 4.35Å; W532-L583 HydrophobicContact CZ3-CB 4.25Å; W532-L583 HydrophobicContact CZ3-CD2 4.33Å; W532-L583 WeakPolarHBondContact CZ3-O 3.29Å; V536-L583 HydrophobicContact CG2-CD2 3.78Å; I565-L583 HydrophobicContact CD1-CB 3.56Å; I565-L583 HydrophobicContact CD1-CD1 3.45Å; I565-L583 VanDerWaalsContact CD1-CD1 3.45Å; I565-L583 HydrophobicContact CD1-CD2 4.35Å; I565-L583 HydrophobicContact CD1-CG 3.95Å; L579-L583 HydrophobicContact CB-CD1 4.42Å; L579-L583 HydrophobicContact CD2-CD1 4.22Å; L579-L583 WeakPolarHBondContact O-CB 3.38Å; L579-L583 VanDerWaalsContact O-CG 3.31Å; L579-L583 WeakPolarHBondContact O-CG 3.25Å; L579-L583 PolarHBondContact O-N 3.31Å; L583-K585 PolarHBondContact O-N 2.89Å
584T98.3Very high97.3Very high41 Ų4142.5 Ų42.525%0.25222%0.224SC..  trans-76.4118.6169-70.70000108.9K580 A581 F582 N586 R589 R590K580-T584 PolarHBondContact O-N 3.14Å; K580-T584 PolarHBondContact O-OG1 3.04Å; A581-T584 PolarHBondContact O-OG1 2.71Å; F582-T584 PolarHBondContact O-N 3.01Å; T584-N586 VanDerWaalsContact C-N 3.34Å; T584-N586 PolarHBondContact O-N 3.13Å; T584-R589 HydrophobicContact CG2-CB 4Å; T584-R590 PolarHBondContact O-NE 3.32Å; T584-R590 PolarHBondContact O-NH2 3.2Å; T584-R590 VanDerWaalsContact O-NH2 3.12Å
585K96.7Very high96.8Very high59 Ų5944 Ų4426%0.25724%0.241SC..SBendtrans-61.5-38.2-174.1-63.4-176.5-179.5178.40113.5P517 W532 I560 L561 N562 E563 L583 P587 R590P517-K585 HydrophobicContact CB-CB 4.45Å; P517-K585 HydrophobicContact CG-CB 4.17Å; P517-K585 HydrophobicContact CG-CG 4.18Å; W532-K585 HydrophobicContact CH2-CG 4.36Å; W532-K585 HydrophobicContact CZ3-CG 4.31Å; I560-K585 WeakPolarHBondContact O-CE 3.43Å; I560-K585 PolarHBondContact O-NZ 3.39Å; L561-K585 VanDerWaalsContact O-CD 3.3Å; L561-K585 WeakPolarHBondContact O-CD 3.16Å; L561-K585 WeakPolarHBondContact O-CE 3.11Å; L561-K585 PolarHBondContact O-NZ 2.84Å; N562-K585 PolarHBondContact O-NZ 2.83Å; E563-K585 WeakPolarHBondContact O-CE 3.06Å; E563-K585 PolarHBondContact O-NZ 3.45Å; L583-K585 PolarHBondContact O-N 2.89Å; K585-P587 VanDerWaalsContact O-CD 3.3Å; K585-P587 WeakPolarHBondContact O-CD 3.31Å; K585-R590 PolarHBondContact O-NH2 3.49Å; K585-R590 VanDerWaalsContact O-NH2 3.14Å
586N95.9Very high96.4Very high86 Ų8649.4 Ų49.446%0.4628%0.279SS..SBendtrans-80113.1176-176.9-16.4000110.3T584 A588 R589 R590T584-N586 VanDerWaalsContact C-N 3.34Å; T584-N586 PolarHBondContact O-N 3.13Å; N586-A588 PolarHBondContact O-N 3.13Å; N586-A588 WeakPolarHBondContact OD1-CB 3.47Å; N586-A588 PolarHBondContact OD1-N 2.99Å; N586-R589 PolarHBondContact O-N 3.38Å; N586-R590 PolarHBondContact O-N 2.87Å
587P95.8Very high96.1Very high24 Ų2454.3 Ų54.316%0.15630%0.3CS..G310 helixtrans-60.7-29.3-177.924-34000113.2E518 K585 R589 R590 C593E518-P587 HydrophobicContact CB-CG 4.26Å; E518-P587 HydrophobicContact CG-CG 4.42Å; K585-P587 VanDerWaalsContact O-CD 3.3Å; K585-P587 WeakPolarHBondContact O-CD 3.31Å; P587-R589 PolarHBondContact O-N 3.44Å; P587-R589 VanDerWaalsContact O-N 3.11Å; P587-R590 WeakPolarHBondContact O-CB 3.31Å; P587-R590 PolarHBondContact O-N 2.66Å; P587-C593 WeakPolarHBondContact O-CB 3.38Å
588A94.5Very high95.7Very high71 Ų7152.1 Ų52.159%0.58730%0.297SS*.G310 helixtrans-69.9-7.1179.100000114.1N586N586-A588 PolarHBondContact O-N 3.13Å; N586-A588 WeakPolarHBondContact OD1-CB 3.47Å; N586-A588 PolarHBondContact OD1-N 2.99Å
589R96.8Very high95.4Very high189 Ų18952.8 Ų52.871%0.71330%0.304SS*.G310 helixtrans-121.43.2176.2-64.3-176.963.3-166.7-2.8112.6T584 N586 P587T584-R589 HydrophobicContact CG2-CB 4Å; N586-R589 PolarHBondContact O-N 3.38Å; P587-R589 PolarHBondContact O-N 3.44Å; P587-R589 VanDerWaalsContact O-N 3.11Å
590R98Very high95.2Very high0 Ų054.9 Ų54.90%031%0.313CS..SBendtrans-79.8141.7-175.7-171179.3-62144.75.1110.2E518 S528 F582 T584 K585 N586 P587 G592 C593E518-R590 IonicContact OE1-CZ 2.81Å; E518-R590 IonicContact OE1-NH1 2.73Å; E518-R590 PolarHBondContact OE1-NH1 3.23Å; E518-R590 IonicContact OE1-NH2 3Å; E518-R590 IonicContact OE2-CZ 3.23Å; E518-R590 IonicContact OE2-NH1 2.74Å; E518-R590 PolarHBondContact OE2-NH1 3.1Å; E518-R590 IonicContact OE2-NH2 2.87Å; E518-R590 PolarHBondContact OE2-NH2 2.75Å; S528-R590 PolarHBondContact O-NH1 3.17Å; F582-R590 WeakPolarHBondContact O-CD 3.28Å; F582-R590 WeakPolarHBondContact O-CG 3.2Å; F582-R590 PolarHBondContact O-NE 2.84Å; T584-R590 PolarHBondContact O-NE 3.32Å; T584-R590 PolarHBondContact O-NH2 3.2Å; T584-R590 VanDerWaalsContact O-NH2 3.12Å; K585-R590 PolarHBondContact O-NH2 3.49Å; K585-R590 VanDerWaalsContact O-NH2 3.14Å; N586-R590 PolarHBondContact O-N 2.87Å; P587-R590 WeakPolarHBondContact O-CB 3.31Å; P587-R590 PolarHBondContact O-N 2.66Å; R590-G592 PolarHBondContact O-N 2.74Å; R590-C593 HydrophobicContact CB-CB 4.41Å; R590-C593 WeakPolarHBondContact O-CB 3.44Å; R590-C593 PolarHBondContact O-N 2.69Å
591L98Very high95Very high17 Ų1754.1 Ų54.19%0.08932%0.315CS..THydrogen-bonded Turntrans-54.3138.3172.7-174.165.5000110.3I578 A581 F582 C593 A602 V603 H606I578-L591 HydrophobicContact CG1-CD2 4.08Å; A581-L591 HydrophobicContact CB-CB 3.77Å; A581-L591 HydrophobicContact CB-CD2 3.96Å; A581-L591 HydrophobicContact CB-CG 4.37Å; A581-L591 PolarHBondContact O-N 3.37Å; F582-L591 HydrophobicContact CD1-CB 4.13Å; F582-L591 HydrophobicContact CD1-CD2 4.21Å; F582-L591 HydrophobicContact CD1-CG 4.48Å; F582-L591 HydrophobicContact CE1-CB 4.39Å; F582-L591 HydrophobicContact CE1-CD2 3.94Å; F582-L591 HydrophobicContact CE1-CG 4.27Å; F582-L591 HydrophobicContact CZ-CD2 4.15Å; L591-C593 VanDerWaalsContact C-N 3.29Å; L591-A602 HydrophobicContact CD1-CB 3.86Å; L591-V603 HydrophobicContact CG-CG2 4.09Å; L591-H606 HydrophobicContact CD2-CB 4.49Å
592G95.6Very high95Very high8 Ų853.8 Ų53.88%0.08231%0.312CS..THydrogen-bonded Turntrans88.8-16.2-173.600000114.4R590 G599 E600R590-G592 PolarHBondContact O-N 2.74Å; G592-G599 CarbonylContact C-O 3.56Å; G592-G599 WeakPolarHBondContact CA-O 3.39Å; G592-G599 CarbonylContact O-C 3.4Å; G592-E600 PolarHBondContact O-N 2.74Å
593C94.9Very high94.9Very high35 Ų3553.8 Ų53.824%0.23631%0.312CS..THydrogen-bonded Turntrans-112.8-13.4-171.1-55.60000114.4S528 P587 R590 L591 P595S528-C593 VanDerWaalsContact CA-SG 3.56Å; S528-C593 WeakPolarHBondContact CB-SG 3.47Å; P587-C593 WeakPolarHBondContact O-CB 3.38Å; R590-C593 HydrophobicContact CB-CB 4.41Å; R590-C593 WeakPolarHBondContact O-CB 3.44Å; R590-C593 PolarHBondContact O-N 2.69Å; L591-C593 VanDerWaalsContact C-N 3.29Å; C593-P595 VanDerWaalsContact O-CD 3.26Å; C593-P595 WeakPolarHBondContact O-CD 3.3Å
594V93.3Very high94.9Very high16 Ų1655.5 Ų55.510%0.09732%0.321CS..  trans-93.6105.9-172.6-1740000110.4S596 E597 G598 G599V594-S596 VanDerWaalsContact C-N 3.3Å; V594-S596 WeakPolarHBondContact CG1-OG 3.38Å; V594-S596 PolarHBondContact O-N 3.15Å; V594-E597 HydrophobicContact CB-CB 4.09Å; V594-E597 HydrophobicContact CB-CG 4.2Å; V594-E597 HydrophobicContact CG1-CB 4.04Å; V594-E597 HydrophobicContact CG1-CG 3.71Å; V594-E597 PolarHBondContact O-N 2.75Å; V594-G598 PolarHBondContact O-N 2.78Å; V594-G599 PolarHBondContact O-N 2.57Å
595P89.4Confident94.8Very high118 Ų11858.1 Ų58.177%0.76634%0.341SS*.G310 helixtrans-63.8-34.8-173.8-23.436000113.2C593 E597 G598C593-P595 VanDerWaalsContact O-CD 3.26Å; C593-P595 WeakPolarHBondContact O-CD 3.3Å; P595-E597 PolarHBondContact O-N 3.08Å; P595-G598 PolarHBondContact O-N 3.22Å; P595-G598 VanDerWaalsContact O-N 3.17Å
596S89.9Confident94.8Very high113 Ų11356.4 Ų56.479%0.7933%0.334SS*.G310 helixtrans-68.1-16.6177.655.80000114V594V594-S596 VanDerWaalsContact C-N 3.3Å; V594-S596 WeakPolarHBondContact CG1-OG 3.38Å; V594-S596 PolarHBondContact O-N 3.15Å
597E90.8Very high94.9Very high131 Ų13154.8 Ų54.861%0.61233%0.329SS*.G310 helixtrans-102.87.3177.1-62.8-178.2179.600112.1V594 P595 A602V594-E597 HydrophobicContact CB-CB 4.09Å; V594-E597 HydrophobicContact CB-CG 4.2Å; V594-E597 HydrophobicContact CG1-CB 4.04Å; V594-E597 HydrophobicContact CG1-CG 3.71Å; V594-E597 PolarHBondContact O-N 2.75Å; P595-E597 PolarHBondContact O-N 3.08Å; E597-A602 VanDerWaalsContact O-CB 3.31Å; E597-A602 WeakPolarHBondContact O-CB 3.39Å
598G90.8Very high95.1Very high37 Ų3753.7 Ų53.738%0.38132%0.322SS..THydrogen-bonded Turntrans99.75179.800000114.9V594 P595 E600 D601V594-G598 PolarHBondContact O-N 2.78Å; P595-G598 PolarHBondContact O-N 3.22Å; P595-G598 VanDerWaalsContact O-N 3.17Å; G598-E600 PolarHBondContact O-N 3.05Å; G598-D601 WeakPolarHBondContact O-CB 3.28Å; G598-D601 PolarHBondContact O-N 2.92Å; G598-D601 VanDerWaalsContact O-N 3.09Å
599G92.4Very high95.2Very high14 Ų1450.6 Ų50.614%0.14430%0.295CS..THydrogen-bonded Turntrans57.9-126177.600000112G592 V594 D601 A602G592-G599 CarbonylContact C-O 3.56Å; G592-G599 WeakPolarHBondContact CA-O 3.39Å; G592-G599 CarbonylContact O-C 3.4Å; V594-G599 PolarHBondContact O-N 2.57Å; G599-D601 VanDerWaalsContact C-N 3.33Å; G599-A602 VanDerWaalsContact O-CB 3.23Å; G599-A602 WeakPolarHBondContact O-CB 3.06Å; G599-A602 PolarHBondContact O-N 2.84Å
600E93.9Very high95.2Very high44 Ų4446.8 Ų46.821%0.20629%0.293CS..THydrogen-bonded Turntrans-68.6-29.2178.7-57.9-162.9170.200113.2M462 H465 W531 G592 G598 A602 V603M462-E600 HydrophobicContact CE-CB 4.01Å; H465-E600 WeakPolarHBondContact CB-OE1 3.33Å; H465-E600 IonicContact CE1-OE1 3.27Å; H465-E600 IonicContact CG-OE1 2.95Å; H465-E600 IonicContact ND1-OE1 3.88Å; H465-E600 PolarHBondContact ND1-OE1 2.81Å; H465-E600 IonicContact ND1-OE2 2.69Å; W531-E600 HydrophobicContact CZ2-CB 4.19Å; W531-E600 HydrophobicContact CZ2-CG 3.87Å; G592-E600 PolarHBondContact O-N 2.74Å; G598-E600 PolarHBondContact O-N 3.05Å; E600-A602 PolarHBondContact O-N 3.45Å; E600-A602 VanDerWaalsContact O-N 3.16Å; E600-V603 VanDerWaalsContact O-CB 3.23Å; E600-V603 WeakPolarHBondContact O-CB 3.15Å; E600-V603 WeakPolarHBondContact O-CG2 3.3Å; E600-V603 PolarHBondContact O-N 3.33Å
601D95.6Very high94.9Very high99 Ų9950.4 Ų50.453%0.52933%0.331SS..Hα-helixtrans-64.9-22.2177.4-65.4-34.7000112.1G598 G599 V603 I604 S605G598-D601 WeakPolarHBondContact O-CB 3.28Å; G598-D601 PolarHBondContact O-N 2.92Å; G598-D601 VanDerWaalsContact O-N 3.09Å; G599-D601 VanDerWaalsContact C-N 3.33Å; D601-V603 PolarHBondContact O-N 3.37Å; D601-I604 VanDerWaalsContact O-CG1 3.22Å; D601-I604 WeakPolarHBondContact O-CG1 3.42Å; D601-S605 WeakPolarHBondContact O-CB 3.44Å; D601-S605 PolarHBondContact O-N 3.07Å; D601-S605 PolarHBondContact O-OG 3.36Å
602A97.2Very high94.9Very high17 Ų1751.1 Ų51.114%0.1433%0.334CS..Hα-helixtrans-64.6-30.1172.700000112.1L591 E597 G599 E600 H606L591-A602 HydrophobicContact CD1-CB 3.86Å; E597-A602 VanDerWaalsContact O-CB 3.31Å; E597-A602 WeakPolarHBondContact O-CB 3.39Å; G599-A602 VanDerWaalsContact O-CB 3.23Å; G599-A602 WeakPolarHBondContact O-CB 3.06Å; G599-A602 PolarHBondContact O-N 2.84Å; E600-A602 PolarHBondContact O-N 3.45Å; E600-A602 VanDerWaalsContact O-N 3.16Å; A602-H606 PolarHBondContact O-N 3.13Å
603V97.6Very high95Very high0 Ų053.8 Ų53.80%035%0.347CS..Hα-helixtrans-65.7-52.8179.2-177.90000109.8T458 W531 F582 L591 E600 D601 S605 H606 F609T458-V603 HydrophobicContact CG2-CG1 3.73Å; W531-V603 HydrophobicContact CD2-CG2 4.36Å; W531-V603 HydrophobicContact CE3-CG2 4.21Å; W531-V603 HydrophobicContact CH2-CG1 4.41Å; W531-V603 HydrophobicContact CH2-CG2 4.15Å; W531-V603 HydrophobicContact CZ2-CG2 4.28Å; W531-V603 HydrophobicContact CZ3-CG1 4Å; W531-V603 HydrophobicContact CZ3-CG2 4.11Å; F582-V603 HydrophobicContact CE1-CG1 4.03Å; F582-V603 HydrophobicContact CE1-CG2 4.14Å; F582-V603 HydrophobicContact CZ-CG1 3.63Å; L591-V603 HydrophobicContact CG-CG2 4.09Å; E600-V603 VanDerWaalsContact O-CB 3.23Å; E600-V603 WeakPolarHBondContact O-CB 3.15Å; E600-V603 WeakPolarHBondContact O-CG2 3.3Å; E600-V603 PolarHBondContact O-N 3.33Å; D601-V603 PolarHBondContact O-N 3.37Å; V603-S605 PolarHBondContact O-N 3.37Å; V603-H606 VanDerWaalsContact O-CB 3.26Å; V603-H606 WeakPolarHBondContact O-CB 3.3Å; V603-H606 PolarHBondContact O-N 2.78Å; V603-H606 VanDerWaalsContact O-N 3.15Å; V603-F609 HydrophobicContact CG1-CE2 4.05Å; V603-F609 WeakPolarHBondContact O-CD2 3.46Å; V603-F609 WeakPolarHBondContact O-CE2 3.45Å
604I96.8Very high95.1Very high46 Ų4654.2 Ų54.224%0.23634%0.343CS..Hα-helixtrans-69.6-21-17763.2171.5000113.1T458 M462 D601 W614T458-I604 HydrophobicContact CG2-CG2 4.1Å; M462-I604 HydrophobicContact CE-CG2 4.3Å; M462-I604 HydrophobicContact SD-CG2 3.52Å; M462-I604 VanDerWaalsContact SD-CG2 3.52Å; D601-I604 VanDerWaalsContact O-CG1 3.22Å; D601-I604 WeakPolarHBondContact O-CG1 3.42Å; I604-W614 HydrophobicContact CB-CD2 4.06Å; I604-W614 HydrophobicContact CB-CH2 4.22Å; I604-W614 HydrophobicContact CB-CZ2 3.63Å; I604-W614 HydrophobicContact CG2-CD2 4Å; I604-W614 HydrophobicContact CG2-CE3 4.03Å; I604-W614 HydrophobicContact CG2-CH2 3.69Å; I604-W614 HydrophobicContact CG2-CZ2 3.65Å; I604-W614 HydrophobicContact CG2-CZ3 3.87Å; I604-W614 PolarHBondContact O-NE1 3Å; I604-W614 VanDerWaalsContact O-NE1 3.08Å
605S96.5Very high95.3Very high96 Ų9659.2 Ų59.267%0.67137%0.366SS*.THydrogen-bonded Turntrans-86.6-6.6176.7-570000113.6D601 V603D601-S605 WeakPolarHBondContact O-CB 3.44Å; D601-S605 PolarHBondContact O-N 3.07Å; D601-S605 PolarHBondContact O-OG 3.36Å; V603-S605 PolarHBondContact O-N 3.37Å
606H98.2Very high95.7Very high23 Ų2358.1 Ų58.111%0.10635%0.349CS..SBendtrans-66.9141.1-176.1-168.1-80.5000111.9N577 I578 L591 A602 V603 F608 F609N577-H606 PolarHBondContact OD1-CE1 2.86Å; N577-H606 PolarHBondContact OD1-NE2 2.89Å; N577-H606 VanDerWaalsContact OD1-NE2 3.07Å; I578-H606 VanDerWaalsContact CA-CE1 3.5Å; I578-H606 WeakPolarHBondContact CA-CE1 3.22Å; I578-H606 WeakPolarHBondContact CB-CE1 3.45Å; I578-H606 HydrophobicContact CD1-CB 4.27Å; I578-H606 PolarHBondContact N-CE1 2.89Å; L591-H606 HydrophobicContact CD2-CB 4.49Å; A602-H606 PolarHBondContact O-N 3.13Å; V603-H606 VanDerWaalsContact O-CB 3.26Å; V603-H606 WeakPolarHBondContact O-CB 3.3Å; V603-H606 PolarHBondContact O-N 2.78Å; V603-H606 VanDerWaalsContact O-N 3.15Å; H606-F608 WeakPolarHBondContact ND1-CB 3.49Å; H606-F608 PolarHBondContact ND1-N 2.92Å; H606-F608 VanDerWaalsContact ND1-N 3.16Å; H606-F608 PolarHBondContact O-N 2.81Å; H606-F609 HydrophobicContact CB-CD2 4.26Å; H606-F609 PolarHBondContact O-N 2.82Å
607S97.8Very high96.1Very high53 Ų5352.7 Ų52.737%0.37131%0.311SS..G310 helixtrans-57.2-27.3-175.660.70000114.3F609 T610S607-F609 PolarHBondContact O-N 2.88Å; S607-T610 VanDerWaalsContact O-CB 3.26Å; S607-T610 WeakPolarHBondContact O-CB 3.13Å; S607-T610 PolarHBondContact O-N 2.91Å; S607-T610 PolarHBondContact O-OG1 2.94Å
608F98.5Very high96.3Very high1 Ų149.5 Ų49.50%0.00430%0.298CS..G310 helixtrans-57.1-30.6173-177.6-106.2000113.4E447 R451 L538 A575 I578 H606 T610E447-F608 HydrophobicContact CG-CE2 3.91Å; E447-F608 HydrophobicContact CG-CZ 4.44Å; R451-F608 HydrophobicContact CB-CE1 3.9Å; R451-F608 HydrophobicContact CB-CZ 3.85Å; R451-F608 WeakPolarHBondContact CD-O 3.4Å; R451-F608 HydrophobicContact CG-CD1 4.26Å; R451-F608 HydrophobicContact CG-CE1 3.93Å; R451-F608 HydrophobicContact CG-CZ 4.26Å; R451-F608 WeakPolarHBondContact CG-O 3.08Å; R451-F608 PolarHBondContact NE-O 2.86Å; L538-F608 HydrophobicContact CD1-CE1 4.08Å; L538-F608 HydrophobicContact CD1-CZ 3.83Å; L538-F608 HydrophobicContact CD2-CE1 4.01Å; L538-F608 HydrophobicContact CD2-CZ 4.24Å; A575-F608 HydrophobicContact CB-CD2 4.19Å; A575-F608 HydrophobicContact CB-CE2 3.91Å; I578-F608 HydrophobicContact CB-CB 3.88Å; I578-F608 HydrophobicContact CB-CG 4.22Å; I578-F608 HydrophobicContact CD1-CB 3.8Å; I578-F608 HydrophobicContact CD1-CD1 3.75Å; I578-F608 HydrophobicContact CD1-CG 4.07Å; I578-F608 HydrophobicContact CG1-CB 4.42Å; I578-F608 HydrophobicContact CG2-CB 3.8Å; I578-F608 HydrophobicContact CG2-CD1 3.94Å; I578-F608 HydrophobicContact CG2-CD2 3.88Å; I578-F608 HydrophobicContact CG2-CE1 4.48Å; I578-F608 HydrophobicContact CG2-CE2 4.45Å; I578-F608 HydrophobicContact CG2-CG 3.59Å; H606-F608 WeakPolarHBondContact ND1-CB 3.49Å; H606-F608 PolarHBondContact ND1-N 2.92Å; H606-F608 VanDerWaalsContact ND1-N 3.16Å; H606-F608 PolarHBondContact O-N 2.81Å; F608-T610 VanDerWaalsContact C-N 3.33Å
609F98.3Very high96.6Very high5 Ų553.7 Ų53.72%0.02230%0.302CS..G310 helixtrans-91.311.4177.3-61.6-69.2000113.6R451 T454 A455 I578 V603 H606 S607 G611 I612 W614R451-F609 HydrophobicContact CG-CD1 4.24Å; T454-F609 HydrophobicContact CG2-CE1 4.04Å; T454-F609 HydrophobicContact CG2-CZ 3.82Å; A455-F609 HydrophobicContact CB-CD1 4.04Å; A455-F609 HydrophobicContact CB-CE1 3.95Å; I578-F609 HydrophobicContact CD1-CD2 4.19Å; I578-F609 HydrophobicContact CD1-CE2 3.52Å; I578-F609 HydrophobicContact CD1-CZ 3.99Å; V603-F609 HydrophobicContact CG1-CE2 4.05Å; V603-F609 WeakPolarHBondContact O-CD2 3.46Å; V603-F609 WeakPolarHBondContact O-CE2 3.45Å; H606-F609 HydrophobicContact CB-CD2 4.26Å; H606-F609 PolarHBondContact O-N 2.82Å; S607-F609 PolarHBondContact O-N 2.88Å; F609-G611 PolarHBondContact O-N 2.91Å; F609-I612 HydrophobicContact CB-CG1 4.41Å; F609-I612 WeakPolarHBondContact O-CB 3.3Å; F609-I612 WeakPolarHBondContact O-CG1 3.35Å; F609-I612 PolarHBondContact O-N 3.49Å; F609-W614 HydrophobicContact CB-CZ2 3.85Å; F609-W614 HydrophobicContact CD1-CH2 4.07Å; F609-W614 AromaticContact CD1-CZ2 3.9Å; F609-W614 HydrophobicContact CD1-CZ2 3.9Å; F609-W614 HydrophobicContact CD2-CH2 4.4Å; F609-W614 AromaticContact CD2-CZ2 3.92Å; F609-W614 HydrophobicContact CD2-CZ2 3.92Å; F609-W614 HydrophobicContact CE1-CH2 4.15Å; F609-W614 HydrophobicContact CE1-CZ2 4.4Å; F609-W614 HydrophobicContact CE2-CH2 4.46Å; F609-W614 HydrophobicContact CE2-CZ2 4.4Å; F609-W614 HydrophobicContact CG-CH2 4.19Å; F609-W614 AromaticContact CG-CZ2 3.63Å; F609-W614 HydrophobicContact CG-CZ2 3.63Å; F609-W614 HydrophobicContact CZ-CH2 4.34Å
610T95.3Very high96.8Very high109 Ų10956.7 Ų56.767%0.66931%0.309SS*.THydrogen-bonded Turntrans-53.4125.5176-60.20000110.5S607 F608S607-T610 VanDerWaalsContact O-CB 3.26Å; S607-T610 WeakPolarHBondContact O-CB 3.13Å; S607-T610 PolarHBondContact O-N 2.91Å; S607-T610 PolarHBondContact O-OG1 2.94Å; F608-T610 VanDerWaalsContact C-N 3.33Å
611G92.4Very high97Very high77 Ų7759.8 Ų59.879%0.79432%0.324SS*.THydrogen-bonded Turntrans93.9-5.2-178.400000115.1F609F609-G611 PolarHBondContact O-N 2.91Å
612I97.6Very high97Very high31 Ų3157 Ų5716%0.15931%0.308CS..  trans-83.3122.6169.3-58.2-60.5000109.3R451 A455 F609 W614 L617R451-I612 HydrophobicContact CG-CG1 4.41Å; A455-I612 HydrophobicContact CB-CG1 4.48Å; A455-I612 HydrophobicContact CB-CG2 4.18Å; F609-I612 HydrophobicContact CB-CG1 4.41Å; F609-I612 WeakPolarHBondContact O-CB 3.3Å; F609-I612 WeakPolarHBondContact O-CG1 3.35Å; F609-I612 PolarHBondContact O-N 3.49Å; I612-W614 HydrophobicContact CG2-CD2 4.22Å; I612-W614 HydrophobicContact CG2-CG 4.49Å; I612-L617 HydrophobicContact CG2-CD2 4.24Å
613D97.8Very high97Very high64 Ų6464.4 Ų64.434%0.34234%0.34SS..  trans-9298.6169.3-178.2-29.4000108E615 K616 L617D613-E615 PolarHBondContact O-N 3.46Å; D613-E615 WeakPolarHBondContact OD1-CB 2.88Å; D613-E615 PolarHBondContact OD1-N 2.96Å; D613-K616 HydrophobicContact CB-CB 4.06Å; D613-K616 HydrophobicContact CB-CD 4.09Å; D613-K616 HydrophobicContact CB-CG 4.17Å; D613-K616 VanDerWaalsContact CG-CG 3.49Å; D613-K616 PolarHBondContact O-N 3.39Å; D613-K616 VanDerWaalsContact O-N 3.15Å; D613-K616 PolarHBondContact OD1-N 3.43Å; D613-K616 VanDerWaalsContact OD1-N 3.11Å; D613-K616 VanDerWaalsContact OD2-CD 3.23Å; D613-K616 WeakPolarHBondContact OD2-CD 3.42Å; D613-K616 WeakPolarHBondContact OD2-CE 3.32Å; D613-K616 WeakPolarHBondContact OD2-CG 3.16Å; D613-K616 IonicContact OD2-NZ 2.69Å; D613-L617 WeakPolarHBondContact O-CB 3.48Å; D613-L617 PolarHBondContact O-N 2.92Å
614W97.4Very high97Very high44 Ų4465.3 Ų65.317%0.16735%0.346CS..Hα-helixtrans-60.3-31.3-173.9-6797.9000113.5A455 T458 I604 F609 I612 L617 N618A455-W614 HydrophobicContact CB-CH2 3.9Å; A455-W614 HydrophobicContact CB-CZ3 4.03Å; A455-W614 WeakPolarHBondContact O-CZ3 2.87Å; T458-W614 HydrophobicContact CG2-CH2 3.95Å; T458-W614 HydrophobicContact CG2-CZ3 4.12Å; I604-W614 HydrophobicContact CB-CD2 4.06Å; I604-W614 HydrophobicContact CB-CH2 4.22Å; I604-W614 HydrophobicContact CB-CZ2 3.63Å; I604-W614 HydrophobicContact CG2-CD2 4Å; I604-W614 HydrophobicContact CG2-CE3 4.03Å; I604-W614 HydrophobicContact CG2-CH2 3.69Å; I604-W614 HydrophobicContact CG2-CZ2 3.65Å; I604-W614 HydrophobicContact CG2-CZ3 3.87Å; I604-W614 PolarHBondContact O-NE1 3Å; I604-W614 VanDerWaalsContact O-NE1 3.08Å; F609-W614 HydrophobicContact CB-CZ2 3.85Å; F609-W614 HydrophobicContact CD1-CH2 4.07Å; F609-W614 AromaticContact CD1-CZ2 3.9Å; F609-W614 HydrophobicContact CD1-CZ2 3.9Å; F609-W614 HydrophobicContact CD2-CH2 4.4Å; F609-W614 AromaticContact CD2-CZ2 3.92Å; F609-W614 HydrophobicContact CD2-CZ2 3.92Å; F609-W614 HydrophobicContact CE1-CH2 4.15Å; F609-W614 HydrophobicContact CE1-CZ2 4.4Å; F609-W614 HydrophobicContact CE2-CH2 4.46Å; F609-W614 HydrophobicContact CE2-CZ2 4.4Å; F609-W614 HydrophobicContact CG-CH2 4.19Å; F609-W614 AromaticContact CG-CZ2 3.63Å; F609-W614 HydrophobicContact CG-CZ2 3.63Å; F609-W614 HydrophobicContact CZ-CH2 4.34Å; I612-W614 HydrophobicContact CG2-CD2 4.22Å; I612-W614 HydrophobicContact CG2-CG 4.49Å; W614-L617 HydrophobicContact CE3-CD2 3.72Å; W614-L617 HydrophobicContact CZ3-CD2 3.9Å; W614-L617 WeakPolarHBondContact O-CB 3.45Å; W614-L617 PolarHBondContact O-N 2.97Å; W614-N618 WeakPolarHBondContact O-CB 3.39Å; W614-N618 PolarHBondContact O-N 2.97Å; W614-N618 PolarHBondContact O-ND2 2.99Å
615E96.8Very high97Very high121 Ų12166.5 Ų66.557%0.56536%0.357SS*.Hα-helixtrans-67.9-45.8175.8-77.8-63.4146.500111.3D613 L617 N618 R619D613-E615 PolarHBondContact O-N 3.46Å; D613-E615 WeakPolarHBondContact OD1-CB 2.88Å; D613-E615 PolarHBondContact OD1-N 2.96Å; E615-L617 VanDerWaalsContact C-N 3.35Å; E615-N618 PolarHBondContact O-N 2.76Å; E615-R619 PolarHBondContact O-N 3.4Å; E615-R619 PolarHBondContact O-NH1 2.88Å; E615-R619 IonicContact OE2-NH1 3.62Å; E615-R619 PolarHBondContact OE2-NH1 2.98Å
616K98.1Very high96.9Very high95 Ų9564.9 Ų64.941%0.41334%0.338SS..Hα-helixtrans-66.8-37.3174-68.9-175.6-175.6165.30112.3D613 R619 R620 E621 I622D613-K616 HydrophobicContact CB-CB 4.06Å; D613-K616 HydrophobicContact CB-CD 4.09Å; D613-K616 HydrophobicContact CB-CG 4.17Å; D613-K616 VanDerWaalsContact CG-CG 3.49Å; D613-K616 PolarHBondContact O-N 3.39Å; D613-K616 VanDerWaalsContact O-N 3.15Å; D613-K616 PolarHBondContact OD1-N 3.43Å; D613-K616 VanDerWaalsContact OD1-N 3.11Å; D613-K616 VanDerWaalsContact OD2-CD 3.23Å; D613-K616 WeakPolarHBondContact OD2-CD 3.42Å; D613-K616 WeakPolarHBondContact OD2-CE 3.32Å; D613-K616 WeakPolarHBondContact OD2-CG 3.16Å; D613-K616 IonicContact OD2-NZ 2.69Å; K616-R619 CarbonylContact O-C 3.51Å; K616-R619 PolarHBondContact O-N 2.93Å; K616-R620 PolarHBondContact O-N 3.39Å; K616-R620 VanDerWaalsContact O-N 3.15Å; K616-E621 HydrophobicContact CB-CB 4.05Å; K616-E621 HydrophobicContact CG-CB 4.44Å; K616-E621 WeakPolarHBondContact CG-OE2 3.28Å; K616-E621 PolarHBondContact O-N 3.31Å; K616-I622 HydrophobicContact CB-CD1 4.26Å; K616-I622 HydrophobicContact CB-CG1 3.85Å
617L97.9Very high96.8Very high0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-57.1-54.5174.4-170.379.2000109.5Y409 F452 A455 E456 I612 D613 W614 E615 R619 R620 I622Y409-L617 HydrophobicContact CE2-CG 4.24Å; Y409-L617 PolarHBondContact OH-O 3.43Å; F452-L617 HydrophobicContact CE2-CD1 4.15Å; A455-L617 HydrophobicContact CB-CD1 4.49Å; A455-L617 HydrophobicContact CB-CD2 3.73Å; E456-L617 HydrophobicContact CG-CD1 3.83Å; E456-L617 HydrophobicContact CG-CG 4.35Å; I612-L617 HydrophobicContact CG2-CD2 4.24Å; D613-L617 WeakPolarHBondContact O-CB 3.48Å; D613-L617 PolarHBondContact O-N 2.92Å; W614-L617 HydrophobicContact CE3-CD2 3.72Å; W614-L617 HydrophobicContact CZ3-CD2 3.9Å; W614-L617 WeakPolarHBondContact O-CB 3.45Å; W614-L617 PolarHBondContact O-N 2.97Å; E615-L617 VanDerWaalsContact C-N 3.35Å; L617-R619 PolarHBondContact O-N 3.04Å; L617-R619 VanDerWaalsContact O-N 3.14Å; L617-R620 WeakPolarHBondContact O-CA 3.33Å; L617-R620 PolarHBondContact O-N 3.15Å; L617-I622 HydrophobicContact CB-CD1 3.92Å; L617-I622 HydrophobicContact CD1-CD1 4.01Å
618N95.9Very high96.6Very high63 Ų6367.6 Ų67.634%0.33734%0.343SS..Hα-helixtrans-63.2-24.2-178.9-68-18.5000113.6S459 W614 E615S459-N618 WeakPolarHBondContact CB-OD1 3.48Å; S459-N618 PolarHBondContact OG-OD1 2.88Å; W614-N618 WeakPolarHBondContact O-CB 3.39Å; W614-N618 PolarHBondContact O-N 2.97Å; W614-N618 PolarHBondContact O-ND2 2.99Å; E615-N618 PolarHBondContact O-N 2.76Å
619R96.6Very high96.2Very high125 Ų12578.3 Ų78.347%0.47238%0.384SS..THydrogen-bonded Turntrans-88.42.6171.2-67.8-168-59.3-77.4-10.5114.3E615 K616 L617 E621E615-R619 PolarHBondContact O-N 3.4Å; E615-R619 PolarHBondContact O-NH1 2.88Å; E615-R619 IonicContact OE2-NH1 3.62Å; E615-R619 PolarHBondContact OE2-NH1 2.98Å; K616-R619 CarbonylContact O-C 3.51Å; K616-R619 PolarHBondContact O-N 2.93Å; L617-R619 PolarHBondContact O-N 3.04Å; L617-R619 VanDerWaalsContact O-N 3.14Å; R619-E621 HydrophobicContact CB-CG 3.87Å; R619-E621 WeakPolarHBondContact CD-OE1 3.31Å; R619-E621 IonicContact CZ-OE1 3.2Å; R619-E621 IonicContact CZ-OE2 2.88Å; R619-E621 VanDerWaalsContact NE-CD 3.33Å; R619-E621 IonicContact NE-OE1 3.91Å; R619-E621 PolarHBondContact NE-OE1 3.39Å; R619-E621 IonicContact NE-OE2 2.99Å; R619-E621 PolarHBondContact NE-OE2 3.46Å; R619-E621 IonicContact NH2-OE1 3.84Å; R619-E621 IonicContact NH2-OE2 3.61Å; R619-E621 PolarHBondContact NH2-OE2 3.08Å; R619-E621 PolarHBondContact O-N 3.22Å
620R96.7Very high95.9Very high77 Ų7780.3 Ų80.329%0.29139%0.394SS..THydrogen-bonded Turntrans5635.9-174.6-60.1-178.156.1164.8-4.7113.5P408 Y409 D482 H486 K616 L617P408-R620 HydrophobicContact CB-CG 3.86Å; Y409-R620 HydrophobicContact CE1-CG 4.09Å; D482-R620 IonicContact OD1-NH2 3.65Å; D482-R620 IonicContact OD2-CZ 3.57Å; D482-R620 VanDerWaalsContact OD2-CZ 3.24Å; D482-R620 IonicContact OD2-NH1 3.53Å; D482-R620 PolarHBondContact OD2-NH1 3.15Å; D482-R620 IonicContact OD2-NH2 3.51Å; D482-R620 PolarHBondContact OD2-NH2 2.9Å; H486-R620 PolarHBondContact CD2-NH2 3.32Å; K616-R620 PolarHBondContact O-N 3.39Å; K616-R620 VanDerWaalsContact O-N 3.15Å; L617-R620 WeakPolarHBondContact O-CA 3.33Å; L617-R620 PolarHBondContact O-N 3.15Å
621E97.3Very high95.6Very high110 Ų11084.2 Ų84.251%0.51440%0.402SS..  trans-91.3-7.3179.4-67.6170.3-177.700112.8K616 R619K616-E621 HydrophobicContact CB-CB 4.05Å; K616-E621 HydrophobicContact CG-CB 4.44Å; K616-E621 WeakPolarHBondContact CG-OE2 3.28Å; K616-E621 PolarHBondContact O-N 3.31Å; R619-E621 HydrophobicContact CB-CG 3.87Å; R619-E621 WeakPolarHBondContact CD-OE1 3.31Å; R619-E621 IonicContact CZ-OE1 3.2Å; R619-E621 IonicContact CZ-OE2 2.88Å; R619-E621 VanDerWaalsContact NE-CD 3.33Å; R619-E621 IonicContact NE-OE1 3.91Å; R619-E621 PolarHBondContact NE-OE1 3.39Å; R619-E621 IonicContact NE-OE2 2.99Å; R619-E621 PolarHBondContact NE-OE2 3.46Å; R619-E621 IonicContact NH2-OE1 3.84Å; R619-E621 IonicContact NH2-OE2 3.61Å; R619-E621 PolarHBondContact NH2-OE2 3.08Å; R619-E621 PolarHBondContact O-N 3.22Å
622I97.3Very high95.5Very high40 Ų4083.6 Ų83.621%0.20538%0.383CS..SBendtrans-91.1124.3175.1-55.4-177.2000109.1F452 H486 K616 L617 P624F452-I622 HydrophobicContact CD2-CG2 4.09Å; F452-I622 HydrophobicContact CE2-CB 4.06Å; F452-I622 HydrophobicContact CE2-CG2 3.64Å; H486-I622 PolarHBondContact CE1-O 2.8Å; K616-I622 HydrophobicContact CB-CD1 4.26Å; K616-I622 HydrophobicContact CB-CG1 3.85Å; L617-I622 HydrophobicContact CB-CD1 3.92Å; L617-I622 HydrophobicContact CD1-CD1 4.01Å; I622-P624 WeakPolarHBondContact O-CD 3.33Å
623E96.6Very high95Very high173 Ų17386.6 Ų86.681%0.80840%0.404SS*.PPolyproline II helixtrans-67127.5179-173.2174.5-174.500111.5
624P97.3Very high94.7Very high19 Ų1987 Ų8712%0.12340%0.404CS..PPolyproline II helixtrans-62.8140.1176.8-27.337.2000112.9F452 D484 H486 I622 F626F452-P624 HydrophobicContact CE1-CB 3.92Å; F452-P624 HydrophobicContact CE1-CG 4.18Å; F452-P624 HydrophobicContact CZ-CB 4.08Å; F452-P624 HydrophobicContact CZ-CG 3.98Å; D484-P624 WeakPolarHBondContact O-CG 3.37Å; H486-P624 WeakPolarHBondContact CD2-CG 3.49Å; H486-P624 VanDerWaalsContact NE2-CG 3.29Å; H486-P624 WeakPolarHBondContact NE2-CG 3.5Å; I622-P624 WeakPolarHBondContact O-CD 3.33Å; P624-F626 PolarHBondContact O-N 3.31Å
625P96Very high94.4Very high71 Ų7185.9 Ų85.946%0.46140%0.401SS..SBendtrans-71.3-10.8-179.926.9-32.2000113.5R449 F452R449-P625 HydrophobicContact CB-CB 4.35Å; R449-P625 HydrophobicContact CB-CG 4.03Å; R449-P625 HydrophobicContact CG-CG 4.06Å; F452-P625 HydrophobicContact CB-CG 3.88Å; F452-P625 HydrophobicContact CD1-CG 4Å; F452-P625 VanDerWaalsContact CG-CD 3.48Å; F452-P625 HydrophobicContact CG-CG 3.98Å
626F96.1Very high94Very high61 Ų6180.9 Ų80.927%0.26838%0.379SS..  trans-143.9127.9177.7167.9-95.4000110H438 L481 G485 P624 P628H438-F626 AromaticContact CE1-CE1 3.46Å; H438-F626 VanDerWaalsContact CE1-CE1 3.46Å; H438-F626 WeakPolarHBondContact CE1-CE1 3.23Å; H438-F626 AromaticContact CE1-CZ 3.66Å; H438-F626 AromaticContact ND1-CE1 3.52Å; H438-F626 AromaticContact ND1-CZ 3.53Å; L481-F626 HydrophobicContact CD1-CD1 3.94Å; L481-F626 HydrophobicContact CD1-CE1 4.04Å; G485-F626 WeakPolarHBondContact CA-O 3.32Å; P624-F626 PolarHBondContact O-N 3.31Å; F626-P628 HydrophobicContact CD1-CG 4.35Å; F626-P628 HydrophobicContact CE1-CB 4.27Å; F626-P628 HydrophobicContact CE1-CG 3.84Å
627K95.2Very high93.6Very high127 Ų12781.4 Ų81.455%0.55239%0.386SS*.  trans-108.7119.3174.8-169.8163.6-170.9143.40110.5K483 D484K483-K627 WeakPolarHBondContact O-CE 3.5Å; D484-K627 IonicContact OD1-NZ 3.6Å; D484-K627 PolarHBondContact OD1-NZ 3.21Å
628P93.5Very high93.1Very high7 Ų781.9 Ų81.95%0.04539%0.389CS..  trans-59.8150.4176-22.432.1000112.4L481 D482 F626 I630L481-P628 HydrophobicContact CB-CG 4.15Å; L481-P628 HydrophobicContact CD1-CG 4.41Å; D482-P628 WeakPolarHBondContact O-CG 3.33Å; F626-P628 HydrophobicContact CD1-CG 4.35Å; F626-P628 HydrophobicContact CE1-CB 4.27Å; F626-P628 HydrophobicContact CE1-CG 3.84Å; P628-I630 HydrophobicContact CB-CD1 4Å; P628-I630 HydrophobicContact CB-CG1 4.47Å; P628-I630 PolarHBondContact O-N 3.33Å
629R90.6Very high92.6Very high226 Ų22680.1 Ų80.185%0.85338%0.378SS*.  trans-86.6104.7177.9-66.8-177.2-178.4-179.60.8109.9
630I92.1Very high91.9Very high47 Ų4777.6 Ų77.624%0.24137%0.374CS..  trans-128128.2-179.2-68.3151.5000108.4N431 K483 P628 T632 D635N431-I630 VanDerWaalsContact ND2-CG2 3.3Å; N431-I630 WeakPolarHBondContact ND2-CG2 3.49Å; N431-I630 WeakPolarHBondContact OD1-CD1 3.2Å; K483-I630 VanDerWaalsContact CA-CD1 3.47Å; K483-I630 HydrophobicContact CB-CD1 3.8Å; P628-I630 HydrophobicContact CB-CD1 4Å; P628-I630 HydrophobicContact CB-CG1 4.47Å; P628-I630 PolarHBondContact O-N 3.33Å; I630-T632 VanDerWaalsContact CG2-O 3.29Å; I630-T632 WeakPolarHBondContact CG2-O 3.34Å; I630-D635 HydrophobicContact CG2-CB 4.3Å
631K88.9Confident91Very high190 Ų19077.1 Ų77.183%0.82638%0.381SS*.SBendtrans-99-40.9179.2-60.3178.8-1791760112D635K631-D635 WeakPolarHBondContact CA-OD2 3.22Å; K631-D635 VanDerWaalsContact CB-OD2 3.32Å; K631-D635 WeakPolarHBondContact CB-OD2 3.3Å; K631-D635 PolarHBondContact N-OD2 2.93Å
632T90.1Very high90.2Very high64 Ų6476.8 Ų76.839%0.39338%0.383SS..SBendtrans-129.9158.2-178.778.70000111.5I630 E634 D635I630-T632 VanDerWaalsContact CG2-O 3.29Å; I630-T632 WeakPolarHBondContact CG2-O 3.34Å; T632-E634 PolarHBondContact O-N 3.05Å; T632-E634 VanDerWaalsContact O-N 3.17Å; T632-E634 PolarHBondContact OG1-N 2.76Å; T632-D635 WeakPolarHBondContact CB-OD1 3.27Å; T632-D635 VanDerWaalsContact N-CG 3.32Å; T632-D635 PolarHBondContact N-OD1 3.18Å; T632-D635 VanDerWaalsContact N-OD1 3.16Å; T632-D635 PolarHBondContact N-OD2 3.47Å; T632-D635 WeakPolarHBondContact O-CB 3.1Å; T632-D635 PolarHBondContact O-N 3.45Å; T632-D635 VanDerWaalsContact O-N 3.14Å; T632-D635 PolarHBondContact OG1-N 2.83Å; T632-D635 PolarHBondContact OG1-OD1 3.41Å
633P86.9Confident89.6Confident95 Ų9578 Ų7862%0.61739%0.387SS*.THydrogen-bonded Turntrans-58.7-22.5173.7-24.435.2000113.9V374 F429V374-P633 HydrophobicContact CG2-CB 4.44Å; F429-P633 WeakPolarHBondContact CD1-O 3.14Å; F429-P633 WeakPolarHBondContact CE1-O 3.25Å
634E91.1Very high89.1Confident73 Ų7370.7 Ų70.734%0.34135%0.354SS..THydrogen-bonded Turntrans-95.41.6-178.1-46.6-173.8168.500112.4K367 V374 T632 V636K367-E634 IonicContact NZ-OE1 2.61Å; K367-E634 PolarHBondContact NZ-OE1 3.13Å; V374-E634 HydrophobicContact CG1-CG 3.91Å; T632-E634 PolarHBondContact O-N 3.05Å; T632-E634 VanDerWaalsContact O-N 3.17Å; T632-E634 PolarHBondContact OG1-N 2.76Å; E634-V636 PolarHBondContact O-N 2.83Å
635D90.8Very high88.6Confident19 Ų1977.2 Ų77.210%0.10238%0.383CS..  trans-62.7126.3-175.6-87.721.6000112.4I630 K631 T632 N637I630-D635 HydrophobicContact CG2-CB 4.3Å; K631-D635 WeakPolarHBondContact CA-OD2 3.22Å; K631-D635 VanDerWaalsContact CB-OD2 3.32Å; K631-D635 WeakPolarHBondContact CB-OD2 3.3Å; K631-D635 PolarHBondContact N-OD2 2.93Å; T632-D635 WeakPolarHBondContact CB-OD1 3.27Å; T632-D635 VanDerWaalsContact N-CG 3.32Å; T632-D635 PolarHBondContact N-OD1 3.18Å; T632-D635 VanDerWaalsContact N-OD1 3.16Å; T632-D635 PolarHBondContact N-OD2 3.47Å; T632-D635 WeakPolarHBondContact O-CB 3.1Å; T632-D635 PolarHBondContact O-N 3.45Å; T632-D635 VanDerWaalsContact O-N 3.14Å; T632-D635 PolarHBondContact OG1-N 2.83Å; T632-D635 PolarHBondContact OG1-OD1 3.41Å; D635-N637 PolarHBondContact OD2-ND2 2.85Å
636V90.3Very high88.2Confident16 Ų1676.6 Ų76.610%0.09737%0.374CS..  trans-112.416.4174.9-610000113.7L355 L365 F429 E634 N638 F639 T644L355-V636 HydrophobicContact CD2-CG1 3.66Å; L365-V636 HydrophobicContact CD2-CG1 3.96Å; F429-V636 HydrophobicContact CZ-CG1 4.2Å; E634-V636 PolarHBondContact O-N 2.83Å; V636-N638 PolarHBondContact O-N 2.77Å; V636-F639 HydrophobicContact CB-CD2 3.85Å; V636-F639 HydrophobicContact CB-CG 4.5Å; V636-F639 HydrophobicContact CG1-CD2 4.25Å; V636-F639 WeakPolarHBondContact O-CB 3.48Å; V636-F639 PolarHBondContact O-N 2.95Å; V636-T644 HydrophobicContact CB-CG2 3.9Å; V636-T644 HydrophobicContact CG2-CG2 3.81Å
637N88.8Confident87.8Confident106 Ų10680.7 Ų80.757%0.56739%0.394SS*.THydrogen-bonded Turntrans-63.9-11.8-175.5-63.5-52.5000114.3D635D635-N637 PolarHBondContact OD2-ND2 2.85Å
638N87.5Confident87.6Confident11 Ų1176.5 Ų76.56%0.05938%0.38CS..THydrogen-bonded Turntrans-101.57.7177.1-55.8-53.3000113.3N431 G432 G433 F437 V636N431-N638 PolarHBondContact O-ND2 2.76Å; G432-N638 WeakPolarHBondContact O-CB 3.4Å; G433-N638 WeakPolarHBondContact CA-O 3.46Å; F437-N638 HydrophobicContact CD1-CB 4.41Å; F437-N638 HydrophobicContact CE1-CB 3.87Å; F437-N638 HydrophobicContact CZ-CB 4.44Å; V636-N638 PolarHBondContact O-N 2.77Å
639F85.2Confident87.4Confident26 Ų2679.7 Ų79.711%0.11440%0.399CS..SBendtrans-104.3163.3174.7-65.6-97.8000110.5L355 F429 V430 V636 P641 T644L355-F639 HydrophobicContact CB-CD1 4.1Å; L355-F639 HydrophobicContact CB-CE1 4.06Å; L355-F639 HydrophobicContact CD1-CE1 4.41Å; L355-F639 HydrophobicContact CD2-CD1 3.98Å; L355-F639 HydrophobicContact CD2-CD2 4.23Å; L355-F639 HydrophobicContact CD2-CE1 3.93Å; L355-F639 HydrophobicContact CD2-CE2 4.16Å; L355-F639 HydrophobicContact CD2-CG 4.13Å; L355-F639 HydrophobicContact CD2-CZ 4.01Å; L355-F639 HydrophobicContact CG-CE1 4.35Å; F429-F639 AromaticContact CE2-CE2 3.8Å; F429-F639 HydrophobicContact CE2-CE2 3.8Å; F429-F639 AromaticContact CE2-CZ 3.56Å; F429-F639 HydrophobicContact CE2-CZ 3.56Å; F429-F639 AromaticContact CZ-CE2 3.88Å; F429-F639 HydrophobicContact CZ-CE2 3.88Å; F429-F639 HydrophobicContact CZ-CZ 4.13Å; V430-F639 WeakPolarHBondContact O-CZ 2.96Å; V636-F639 HydrophobicContact CB-CD2 3.85Å; V636-F639 HydrophobicContact CB-CG 4.5Å; V636-F639 HydrophobicContact CG1-CD2 4.25Å; V636-F639 WeakPolarHBondContact O-CB 3.48Å; V636-F639 PolarHBondContact O-N 2.95Å; F639-P641 WeakPolarHBondContact O-CD 3.31Å; F639-T644 HydrophobicContact CB-CG2 3.74Å
640D80.9Confident87.1Confident71 Ų7171.4 Ų71.438%0.3837%0.371SS..  trans-62.9125.9178.4-161.5-44.2000111.2D642 F643 T644D640-D642 PolarHBondContact O-N 3.08Å; D640-D642 WeakPolarHBondContact OD1-CB 3.4Å; D640-D642 PolarHBondContact OD1-N 3.08Å; D640-F643 HydrophobicContact CB-CD2 3.56Å; D640-F643 HydrophobicContact CB-CE2 3.83Å; D640-F643 HydrophobicContact CB-CG 4.43Å; D640-F643 PolarHBondContact O-N 2.71Å; D640-T644 PolarHBondContact O-N 2.75Å; D640-T644 VanDerWaalsContact O-N 3.11Å; D640-T644 PolarHBondContact O-OG1 3.49Å; D640-T644 VanDerWaalsContact O-OG1 3.14Å
641P78.1Confident86.6Confident68 Ų6871.9 Ų71.944%0.44238%0.376SS..Hα-helixtrans-53.6-31.6173.1-27.836.8000114.4F639 F643 T644 Q645F639-P641 WeakPolarHBondContact O-CD 3.31Å; P641-F643 VanDerWaalsContact C-N 3.28Å; P641-F643 PolarHBondContact O-N 3.06Å; P641-T644 VanDerWaalsContact CA-OG1 3.28Å; P641-T644 WeakPolarHBondContact CA-OG1 3.2Å; P641-T644 PolarHBondContact O-N 2.8Å; P641-T644 PolarHBondContact O-OG1 3.27Å; P641-Q645 WeakPolarHBondContact O-CB 3.12Å; P641-Q645 WeakPolarHBondContact O-CG 3.5Å; P641-Q645 PolarHBondContact O-N 3.19Å; P641-Q645 VanDerWaalsContact O-N 3.1Å
642D81.3Confident86Confident103 Ų10368.1 Ų68.155%0.55137%0.372SS*.Hα-helixtrans-65.3-33.5-178.9-76.4-6.5000111.4D640D640-D642 PolarHBondContact O-N 3.08Å; D640-D642 WeakPolarHBondContact OD1-CB 3.4Å; D640-D642 PolarHBondContact OD1-N 3.08Å
643F83.6Confident85Confident65 Ų6566.5 Ų66.529%0.28536%0.36SS..Hα-helixtrans-82.3-47174.8-56.9-47.4000111.7V354 K357 D640 P641 Q645 E646V354-F643 WeakPolarHBondContact CB-O 3.34Å; V354-F643 HydrophobicContact CG1-CB 4.44Å; V354-F643 CarbonylContact O-C 3.48Å; K357-F643 HydrophobicContact CB-CE1 4.35Å; K357-F643 HydrophobicContact CG-CD1 4.38Å; K357-F643 HydrophobicContact CG-CE1 4.46Å; D640-F643 HydrophobicContact CB-CD2 3.56Å; D640-F643 HydrophobicContact CB-CE2 3.83Å; D640-F643 HydrophobicContact CB-CG 4.43Å; D640-F643 PolarHBondContact O-N 2.71Å; P641-F643 VanDerWaalsContact C-N 3.28Å; P641-F643 PolarHBondContact O-N 3.06Å; F643-Q645 PolarHBondContact O-N 2.77Å; F643-Q645 VanDerWaalsContact O-N 3.17Å; F643-E646 WeakPolarHBondContact O-CB 3.36Å; F643-E646 PolarHBondContact O-N 2.89Å
644T86.9Confident84.2Confident19 Ų1967.9 Ų67.912%0.11736%0.362CS..Hα-helixtrans-66.7-21.3-172.754.70000113Q353 V354 V636 F639 D640 P641 E646Q353-T644 HydrophobicContact CG-CG2 4.33Å; Q353-T644 WeakPolarHBondContact CG-O 3.47Å; Q353-T644 PolarHBondContact NE2-O 3.1Å; V354-T644 WeakPolarHBondContact O-CA 3.25Å; V354-T644 PolarHBondContact O-N 3.4Å; V636-T644 HydrophobicContact CB-CG2 3.9Å; V636-T644 HydrophobicContact CG2-CG2 3.81Å; F639-T644 HydrophobicContact CB-CG2 3.74Å; D640-T644 PolarHBondContact O-N 2.75Å; D640-T644 VanDerWaalsContact O-N 3.11Å; D640-T644 PolarHBondContact O-OG1 3.49Å; D640-T644 VanDerWaalsContact O-OG1 3.14Å; P641-T644 VanDerWaalsContact CA-OG1 3.28Å; P641-T644 WeakPolarHBondContact CA-OG1 3.2Å; P641-T644 PolarHBondContact O-N 2.8Å; P641-T644 PolarHBondContact O-OG1 3.27Å; T644-E646 VanDerWaalsContact C-N 3.34Å
645Q87.2Confident82.7Confident157 Ų15770.5 Ų70.573%0.73438%0.379SS*.THydrogen-bonded Turntrans-81.4-10174-70.5175.328.100114.2P641 F643P641-Q645 WeakPolarHBondContact O-CB 3.12Å; P641-Q645 WeakPolarHBondContact O-CG 3.5Å; P641-Q645 PolarHBondContact O-N 3.19Å; P641-Q645 VanDerWaalsContact O-N 3.1Å; F643-Q645 PolarHBondContact O-N 2.77Å; F643-Q645 VanDerWaalsContact O-N 3.17Å
646E88.3Confident81Confident57 Ų5774.8 Ų74.827%0.26641%0.408SS..SBendtrans-74.3150177.1-65-167.2-161.500112.6V354 K357 K362 F643 T644V354-E646 HydrophobicContact CB-CB 4.29Å; V354-E646 HydrophobicContact CG2-CB 4.03Å; K357-E646 VanDerWaalsContact CE-CD 3.43Å; K357-E646 WeakPolarHBondContact CE-OE1 3.34Å; K357-E646 WeakPolarHBondContact CE-OE2 3.49Å; K357-E646 IonicContact NZ-OE1 2.74Å; K357-E646 PolarHBondContact NZ-OE1 2.62Å; K357-E646 IonicContact NZ-OE2 3.56Å; K357-E646 PolarHBondContact NZ-OE2 2.6Å; K362-E646 IonicContact NZ-OE2 3.19Å; F643-E646 WeakPolarHBondContact O-CB 3.36Å; F643-E646 PolarHBondContact O-N 2.89Å; T644-E646 VanDerWaalsContact C-N 3.34Å
647E87.3Confident79.4Confident147 Ų14776.1 Ų76.169%0.68742%0.416SS*.  trans-64.1131.9172.5-69.4-169.4169.500111T649E647-T649 HydrophobicContact CB-CG2 4.27Å; E647-T649 PolarHBondContact O-N 3.49Å
648P90.2Very high78.1Confident40 Ų4073.6 Ų73.626%0.2640%0.402SS..  trans-78.154.3-179.735.9-39.7000111.6F351 L352F351-P648 HydrophobicContact CB-CB 4.08Å; L352-P648 WeakPolarHBondContact O-CG 3.39Å
649T89Confident76.8Confident74 Ų7478.7 Ų78.745%0.45444%0.435SS..  trans-111144.6-178.458.40000111.5K362 E647 T651K362-T649 PolarHBondContact NZ-O 3.46Å; E647-T649 HydrophobicContact CB-CG2 4.27Å; E647-T649 PolarHBondContact O-N 3.49Å; T649-T651 PolarHBondContact O-N 2.81Å
650L85.6Confident75.8Confident51 Ų5181.9 Ų81.927%0.26746%0.461SS..PPolyproline II helixtrans-67.4126.2171.3-66.1-174.3000109.5I346 M364 V379 F424 P652I346-L650 HydrophobicContact CD1-CD1 3.45Å; I346-L650 VanDerWaalsContact CD1-CD1 3.45Å; M364-L650 HydrophobicContact CE-CD2 3.49Å; M364-L650 VanDerWaalsContact CE-CD2 3.49Å; V379-L650 HydrophobicContact CB-CD2 4.38Å; V379-L650 HydrophobicContact CG1-CD2 3.86Å; V379-L650 HydrophobicContact CG2-CD2 4.17Å; F424-L650 HydrophobicContact CE1-CD1 4.5Å; F424-L650 HydrophobicContact CZ-CD1 4.33Å; L650-P652 WeakPolarHBondContact O-CD 3.5Å
651T80.3Confident75.4Confident57 Ų5779.2 Ų79.235%0.3545%0.446SS..PPolyproline II helixtrans-57.8123.2174.3-52.20000109.5K362 R422 T649K362-T651 WeakPolarHBondContact CE-OG1 3.28Å; R422-T651 PolarHBondContact NH1-O 2.9Å; R422-T651 PolarHBondContact NH2-O 3.49Å; T649-T651 PolarHBondContact O-N 2.81Å
652P76.3Confident75.5Confident112 Ų11279.5 Ų79.573%0.72744%0.444SS*.PPolyproline II helixtrans-51.5148.6179.5-26.434000112.8L650L650-P652 WeakPolarHBondContact O-CD 3.5Å
653I70.4Confident75.6Confident29 Ų2977.9 Ų77.915%0.14943%0.434CS..  trans-118.6135.9172.3-74.2174.1000107.6K381 D421 R422 D655K381-I653 HydrophobicContact CB-CD1 4.24Å; K381-I653 HydrophobicContact CD-CD1 4Å; K381-I653 HydrophobicContact CD-CG1 4.22Å; K381-I653 HydrophobicContact CG-CD1 4.04Å; D421-I653 HydrophobicContact CB-CD1 3.78Å; D421-I653 HydrophobicContact CB-CG2 4.49Å; D421-I653 WeakPolarHBondContact OD2-CD1 3.3Å; R422-I653 HydrophobicContact CG-CD1 4.29Å; R422-I653 VanDerWaalsContact NH2-CD1 3.27Å; R422-I653 VanDerWaalsContact NH2-CG1 3.32Å; I653-D655 PolarHBondContact O-N 3.5Å
654D68.8Low75.7Confident124 Ų12480.3 Ų80.366%0.66345%0.449SS*.  trans-70.1120.1177.6-66-37000109.8P656 V657D654-P656 VanDerWaalsContact C-N 3.28Å; D654-P656 HydrophobicContact CB-CG 4.11Å; D654-P656 WeakPolarHBondContact O-CD 3.19Å; D654-V657 HydrophobicContact CB-CG2 4.48Å; D654-V657 PolarHBondContact O-N 2.72Å
655D59.5Low75.6Confident129 Ų12984 Ų8469%0.6947%0.465SS*.G310 helixtrans-41.6-37.9176.2-83.6-27.1000116.3I653 V657 I658 P659I653-D655 PolarHBondContact O-N 3.5Å; D655-V657 PolarHBondContact O-N 3.49Å; D655-V657 VanDerWaalsContact O-N 3.09Å; D655-I658 PolarHBondContact O-N 2.88Å; D655-P659 WeakPolarHBondContact O-CD 3.09Å
656P56.3Low75.7Confident109 Ų10976.5 Ų76.571%0.70843%0.43SS*.G310 helixtrans-62.7-12.9178.320.9-34.5000115.7D654D654-P656 VanDerWaalsContact C-N 3.28Å; D654-P656 HydrophobicContact CB-CG 4.11Å; D654-P656 WeakPolarHBondContact O-CD 3.19Å
657V56.8Low75.5Confident44 Ų4483 Ų8327%0.26745%0.453SS..G310 helixtrans-85.6-25.6-179.4-174.50000112.1D383 D654 D655 S660 I661D383-V657 HydrophobicContact CB-CG1 3.57Å; D654-V657 HydrophobicContact CB-CG2 4.48Å; D654-V657 PolarHBondContact O-N 2.72Å; D655-V657 PolarHBondContact O-N 3.49Å; D655-V657 VanDerWaalsContact O-N 3.09Å; V657-S660 PolarHBondContact O-N 3.21Å; V657-S660 PolarHBondContact O-OG 3.49Å; V657-I661 HydrophobicContact CG1-CD1 4.49Å
658I61Low75.4Confident53 Ų5381.8 Ų81.827%0.27245%0.451SS..G310 helixtrans-63.9-41.7-173.5-55.9173.8000113P420 D655 S660 I661P420-I658 HydrophobicContact CB-CG2 3.92Å; D655-I658 PolarHBondContact O-N 2.88Å; I658-S660 PolarHBondContact O-N 3.1Å; I658-I661 PolarHBondContact O-N 3.07Å
659P60.4Low75.4Confident117 Ų11779.9 Ų79.976%0.7644%0.438SS*.G310 helixtrans-69.8-14.9179.8-19.533.1000115D655D655-P659 WeakPolarHBondContact O-CD 3.09Å
660S64.1Low75.4Confident94 Ų9479.1 Ų79.166%0.65744%0.436SS*.G310 helixtrans-96.5-8-179.160.80000114V657 I658 N662V657-S660 PolarHBondContact O-N 3.21Å; V657-S660 PolarHBondContact O-OG 3.49Å; I658-S660 PolarHBondContact O-N 3.1Å; S660-N662 PolarHBondContact O-N 3.21Å
661I72.7Confident75.5Confident14 Ų1480.2 Ų80.27%0.07244%0.439CS..SBendtrans-75.5117.2176.7-65.4170.4000108.9K382 D383 L386 V657 I658 Q663 F666K382-I661 HydrophobicContact CB-CD1 4.13Å; K382-I661 HydrophobicContact CB-CG2 4.08Å; K382-I661 HydrophobicContact CD-CG2 4.19Å; D383-I661 HydrophobicContact CB-CD1 4.33Å; L386-I661 HydrophobicContact CD1-CB 4.16Å; L386-I661 HydrophobicContact CD1-CG1 4.3Å; L386-I661 HydrophobicContact CD1-CG2 3.65Å; V657-I661 HydrophobicContact CG1-CD1 4.49Å; I658-I661 PolarHBondContact O-N 3.07Å; I661-Q663 PolarHBondContact O-N 2.91Å; I661-F666 HydrophobicContact CG2-CE2 4.47Å
662N79.5Confident75.6Confident74 Ų7479 Ų7940%0.39643%0.431SS..  trans-68.898.7170.3-175.811.9000109.7S660 D664 E665S660-N662 PolarHBondContact O-N 3.21Å; N662-D664 PolarHBondContact O-N 2.81Å; N662-D664 PolarHBondContact OD1-N 3.02Å; N662-E665 HydrophobicContact CB-CG 4.15Å; N662-E665 PolarHBondContact ND2-OE1 3.03Å; N662-E665 PolarHBondContact O-N 3.38Å
663Q84.6Confident75.6Confident70 Ų7073.7 Ų73.733%0.32740%0.397SS..G310 helixtrans-67.4-21.5-176.4-62-64-33.700113.1P420 I661 E665 F666P420-Q663 PolarHBondContact O-NE2 2.96Å; I661-Q663 PolarHBondContact O-N 2.91Å; Q663-E665 PolarHBondContact O-N 3.01Å; Q663-F666 PolarHBondContact O-N 3.11Å; Q663-F666 VanDerWaalsContact O-N 3.15Å
664D85.3Confident75.7Confident115 Ų11575.7 Ų75.762%0.61541%0.412SS*.G310 helixtrans-66.3-27.3-177.8-72.6-38.6000112.7N662 F666 R667N662-D664 PolarHBondContact O-N 2.81Å; N662-D664 PolarHBondContact OD1-N 3.02Å; D664-F666 PolarHBondContact O-N 3.27Å; D664-F666 VanDerWaalsContact O-N 3.13Å; D664-R667 WeakPolarHBondContact O-CB 3.46Å; D664-R667 PolarHBondContact O-N 3.25Å
665E83.9Confident75.6Confident97 Ų9772.5 Ų72.545%0.45339%0.394SS..G310 helixtrans-58.6-24.2174.7-63.3-68169.400112.4L386 V391 N662 Q663L386-E665 HydrophobicContact CD2-CB 4.28Å; L386-E665 HydrophobicContact CD2-CG 4.01Å; V391-E665 HydrophobicContact CG1-CB 4.15Å; V391-E665 HydrophobicContact CG2-CB 4.47Å; N662-E665 HydrophobicContact CB-CG 4.15Å; N662-E665 PolarHBondContact ND2-OE1 3.03Å; N662-E665 PolarHBondContact O-N 3.38Å; Q663-E665 PolarHBondContact O-N 3.01Å
666F89.8Confident75.9Confident0 Ų066.6 Ų66.60%036%0.363CS..G310 helixtrans-112.412-175.8-54.7-71.4000113.8K382 I385 L386 V391 Q418 L423 I661 Q663 D664 N668 F669K382-F666 HydrophobicContact CB-CE2 4Å; K382-F666 HydrophobicContact CB-CZ 4.3Å; K382-F666 HydrophobicContact CD-CD2 3.87Å; K382-F666 HydrophobicContact CD-CE2 4.02Å; K382-F666 HydrophobicContact CG-CD2 4.09Å; K382-F666 HydrophobicContact CG-CE2 3.82Å; K382-F666 HydrophobicContact CG-CZ 4.13Å; I385-F666 HydrophobicContact CB-CZ 4.36Å; I385-F666 HydrophobicContact CG2-CE1 4.03Å; I385-F666 HydrophobicContact CG2-CZ 4.07Å; L386-F666 HydrophobicContact CD1-CE2 4.18Å; L386-F666 HydrophobicContact CD2-CE2 4.04Å; L386-F666 HydrophobicContact CD2-CZ 4.05Å; L386-F666 HydrophobicContact CG-CE2 3.97Å; L386-F666 HydrophobicContact CG-CZ 3.99Å; V391-F666 HydrophobicContact CG1-CE1 4.23Å; V391-F666 HydrophobicContact CG2-CE1 4.23Å; V391-F666 HydrophobicContact CG2-CZ 4.12Å; Q418-F666 PolarHBondContact NE2-O 3.22Å; L423-F666 HydrophobicContact CD1-CD1 3.67Å; L423-F666 HydrophobicContact CD1-CE1 3.74Å; L423-F666 HydrophobicContact CD2-CB 4.28Å; L423-F666 HydrophobicContact CD2-CD1 4.07Å; L423-F666 HydrophobicContact CD2-CG 4.2Å; L423-F666 HydrophobicContact CG-CD1 4.38Å; I661-F666 HydrophobicContact CG2-CE2 4.47Å; Q663-F666 PolarHBondContact O-N 3.11Å; Q663-F666 VanDerWaalsContact O-N 3.15Å; D664-F666 PolarHBondContact O-N 3.27Å; D664-F666 VanDerWaalsContact O-N 3.13Å; F666-N668 PolarHBondContact O-N 2.86Å; F666-F669 HydrophobicContact CB-CB 4.48Å; F666-F669 VanDerWaalsContact O-CB 3.29Å; F666-F669 WeakPolarHBondContact O-CB 3.46Å; F666-F669 PolarHBondContact O-N 3.33Å
667R83.3Confident76.1Confident194 Ų19465.2 Ų65.273%0.73235%0.349SS*.THydrogen-bonded Turntrans-56.2-27.6-171.9-175171.8176.3175.8-0.8114.3D664D664-R667 WeakPolarHBondContact O-CB 3.46Å; D664-R667 PolarHBondContact O-N 3.25Å
668N86.6Confident76Confident121 Ų12169.5 Ų69.565%0.64737%0.37SS*.THydrogen-bonded Turntrans-105.819.8-179-64.5-31.5000113.5M395 K398 F666M395-N668 HydrophobicContact CE-CB 4Å; K398-N668 PolarHBondContact NZ-O 2.88Å; F666-N668 PolarHBondContact O-N 2.86Å
669F90.1Very high75.7Confident0 Ų071.3 Ų71.30%038%0.38CS..  trans-75.4-40-178-174.2-95.1000113.3T394 M395 K398 C416 F417 Q418 L423 F424 F425 F666T394-F669 HydrophobicContact CG2-CE2 4.22Å; M395-F669 HydrophobicContact SD-CD2 4.14Å; K398-F669 HydrophobicContact CD-CD2 4.43Å; K398-F669 WeakPolarHBondContact CD-O 3.32Å; K398-F669 WeakPolarHBondContact CE-O 3.48Å; K398-F669 VanDerWaalsContact NZ-C 3.28Å; K398-F669 PolarHBondContact NZ-O 2.69Å; C416-F669 HydrophobicContact CB-CD1 4.03Å; C416-F669 HydrophobicContact CB-CE1 3.6Å; C416-F669 HydrophobicContact CB-CZ 3.99Å; C416-F669 VanDerWaalsContact CB-O 3.28Å; C416-F669 WeakPolarHBondContact CB-O 3.24Å; F417-F669 VanDerWaalsContact O-CE1 3.26Å; F417-F669 WeakPolarHBondContact O-CE1 3.2Å; Q418-F669 HydrophobicContact CB-CD1 4.16Å; L423-F669 HydrophobicContact CB-CD1 4.36Å; L423-F669 HydrophobicContact CB-CE1 3.81Å; L423-F669 HydrophobicContact CB-CE2 4.04Å; L423-F669 HydrophobicContact CB-CZ 3.65Å; L423-F669 HydrophobicContact CD1-CD2 3.89Å; L423-F669 HydrophobicContact CD1-CE2 3.82Å; L423-F669 HydrophobicContact CD1-CG 4.42Å; L423-F669 HydrophobicContact CD1-CZ 4.3Å; L423-F669 HydrophobicContact CD2-CB 4.3Å; L423-F669 HydrophobicContact CD2-CD1 3.76Å; L423-F669 HydrophobicContact CD2-CD2 4.08Å; L423-F669 HydrophobicContact CD2-CE1 4.1Å; L423-F669 HydrophobicContact CD2-CE2 4.4Å; L423-F669 HydrophobicContact CD2-CG 3.76Å; L423-F669 HydrophobicContact CD2-CZ 4.42Å; L423-F669 HydrophobicContact CG-CD2 4.42Å; L423-F669 HydrophobicContact CG-CE1 4.43Å; L423-F669 HydrophobicContact CG-CE2 4.32Å; L423-F669 HydrophobicContact CG-CZ 4.35Å; F424-F669 WeakPolarHBondContact O-CE1 3.38Å; F425-F669 HydrophobicContact CD1-CZ 4.38Å; F425-F669 HydrophobicContact CD2-CE2 4.47Å; F425-F669 AromaticContact CD2-CZ 3.88Å; F425-F669 HydrophobicContact CD2-CZ 3.88Å; F425-F669 HydrophobicContact CE1-CE2 4.03Å; F425-F669 HydrophobicContact CE1-CZ 4.08Å; F425-F669 AromaticContact CE2-CE2 3.66Å; F425-F669 HydrophobicContact CE2-CE2 3.66Å; F425-F669 AromaticContact CE2-CZ 3.5Å; F425-F669 HydrophobicContact CE2-CZ 3.5Å; F425-F669 HydrophobicContact CG-CZ 4.31Å; F425-F669 AromaticContact CZ-CE2 3.43Å; F425-F669 HydrophobicContact CZ-CE2 3.43Å; F425-F669 VanDerWaalsContact CZ-CE2 3.43Å; F425-F669 AromaticContact CZ-CZ 3.64Å; F425-F669 HydrophobicContact CZ-CZ 3.64Å; F666-F669 HydrophobicContact CB-CB 4.48Å; F666-F669 VanDerWaalsContact O-CB 3.29Å; F666-F669 WeakPolarHBondContact O-CB 3.46Å; F666-F669 PolarHBondContact O-N 3.33Å
670S89.2Confident76.5Confident58 Ų5869 Ų6941%0.40636%0.361SS..  trans-69141.1-173.7-52.10000112.9K398 C416K398-S670 PolarHBondContact NZ-O 3.18Å; C416-S670 CarbonylContact O-C 3.59Å; C416-S670 VanDerWaalsContact O-CA 3.24Å; C416-S670 WeakPolarHBondContact O-CA 3.31Å
671F87.1Confident77.1Confident74 Ų7467.7 Ų67.733%0.32535%0.345SS..EExtended strand (participates in β ladder)trans-162.8146.4177.9162.3-102.4000109.7C415 C416C415-F671 CarbonylContact C-O 3.58Å; C415-F671 WeakPolarHBondContact CA-O 3.4Å; C415-F671 WeakPolarHBondContact CB-O 3.18Å; C416-F671 PolarHBondContact N-O 3.32Å; C416-F671 PolarHBondContact O-N 3.03Å
672T81.9Confident77.4Confident31 Ų3170.7 Ų70.719%0.1936%0.36CS..EExtended strand (participates in β ladder)trans-131.1128171.1-55.60000109.5C415 L676C415-T672 HydrophobicContact CB-CG2 4.24Å; T672-L676 HydrophobicContact CG2-CD2 4.25Å
673S77.5Confident77.2Confident0 Ų070.5 Ų70.50%036%0.358CS..  trans-68.5139.2173.2172.90000111.2R405 Y414 D675 L676R405-S673 PolarHBondContact NH1-OG 3.16Å; Y414-S673 WeakPolarHBondContact O-CA 3.44Å; Y414-S673 WeakPolarHBondContact O-CB 3.16Å; Y414-S673 PolarHBondContact O-N 3.28Å; S673-D675 VanDerWaalsContact C-N 3.26Å; S673-D675 PolarHBondContact O-N 3.12Å; S673-D675 PolarHBondContact OG-N 3.01Å; S673-L676 PolarHBondContact O-N 2.82Å
674P71.3Confident76.8Confident72 Ų7270.5 Ų70.547%0.46836%0.36SS..Hα-helixtrans-54.1-39.4170.5-26.335000113.4L676 L677 D678P674-L676 PolarHBondContact O-N 2.9Å; P674-L676 VanDerWaalsContact O-N 3.16Å; P674-L677 WeakPolarHBondContact O-CA 3.18Å; P674-L677 VanDerWaalsContact O-CB 3.23Å; P674-L677 WeakPolarHBondContact O-CB 3.02Å; P674-L677 PolarHBondContact O-N 3.01Å; P674-D678 PolarHBondContact O-N 3.16Å
675D67Low76.2Confident56 Ų5667.5 Ų67.530%0.29934%0.343SS..Hα-helixtrans-62.2-28.9-177-62.27.3000112.9R405 S673 L677 D678 I679R405-D675 IonicContact CZ-OD1 3.65Å; R405-D675 IonicContact CZ-OD2 3.14Å; R405-D675 IonicContact NE-OD2 3.27Å; R405-D675 PolarHBondContact NE-OD2 3.26Å; R405-D675 IonicContact NH2-OD1 2.67Å; R405-D675 PolarHBondContact NH2-OD1 2.77Å; R405-D675 IonicContact NH2-OD2 2.6Å; R405-D675 PolarHBondContact NH2-OD2 2.79Å; S673-D675 VanDerWaalsContact C-N 3.26Å; S673-D675 PolarHBondContact O-N 3.12Å; S673-D675 PolarHBondContact OG-N 3.01Å; D675-L677 PolarHBondContact O-N 3.06Å; D675-D678 PolarHBondContact O-N 2.67Å; D675-D678 VanDerWaalsContact O-N 3.08Å; D675-I679 WeakPolarHBondContact O-CD1 3.43Å; D675-I679 WeakPolarHBondContact O-CG1 3.3Å; D675-I679 PolarHBondContact O-N 3.26Å
676L66.7Low75.7Confident6 Ų665.4 Ų65.43%0.03134%0.335CS..Hα-helixtrans-68.1-24.1176.6-168.364.9000112L344 K371 F375 Y414 C415 T672 S673 P674L344-L676 HydrophobicContact CD1-CD2 3.27Å; L344-L676 HydrophobicContact CD1-CG 4.14Å; K371-L676 PolarHBondContact NZ-O 3.12Å; F375-L676 HydrophobicContact CE1-CD1 3.64Å; F375-L676 HydrophobicContact CZ-CD1 3.48Å; F375-L676 VanDerWaalsContact CZ-CD1 3.48Å; Y414-L676 HydrophobicContact CD1-CB 4.39Å; Y414-L676 HydrophobicContact CD1-CD1 4.08Å; Y414-L676 HydrophobicContact CG-CD1 4.2Å; C415-L676 HydrophobicContact CB-CD2 3.96Å; T672-L676 HydrophobicContact CG2-CD2 4.25Å; S673-L676 PolarHBondContact O-N 2.82Å; P674-L676 PolarHBondContact O-N 2.9Å; P674-L676 VanDerWaalsContact O-N 3.16Å
677L58.7Low74.6Confident80 Ų8070.5 Ų70.542%0.41936%0.361SS..Hα-helixtrans-79.7-25173.1-55.4171.7000111.6P342 P674 D675P342-L677 HydrophobicContact CB-CD2 4.4Å; P342-L677 HydrophobicContact CG-CD2 4.02Å; P674-L677 WeakPolarHBondContact O-CA 3.18Å; P674-L677 VanDerWaalsContact O-CB 3.23Å; P674-L677 WeakPolarHBondContact O-CB 3.02Å; P674-L677 PolarHBondContact O-N 3.01Å; D675-L677 PolarHBondContact O-N 3.06Å
678D55.9Low73.9Confident133 Ų13360.2 Ų60.271%0.71133%0.33SS*.Hα-helixtrans-96.4-22-177-65.5-31.6000115P674 D675P674-D678 PolarHBondContact O-N 3.16Å; D675-D678 PolarHBondContact O-N 2.67Å; D675-D678 VanDerWaalsContact O-N 3.08Å
679I54.5Low72.7Confident91 Ų9154.6 Ų54.647%0.46730%0.301SS..  trans-62.70169.1-68.8162.2000110.4K371 Y414 D675K371-I679 WeakPolarHBondContact CD-OXT 3.32Å; K371-I679 WeakPolarHBondContact CE-OXT 3.3Å; K371-I679 PolarHBondContact NZ-OXT 2.62Å; Y414-I679 HydrophobicContact CD1-CD1 4.21Å; Y414-I679 HydrophobicContact CE1-CD1 3.59Å; D675-I679 WeakPolarHBondContact O-CD1 3.43Å; D675-I679 WeakPolarHBondContact O-CG1 3.3Å; D675-I679 PolarHBondContact O-N 3.26Å

Retrieved 679 of 679 residues in 2431.3 ms (Link to these results)

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