A0A060XUU8_ONCMY Loading...

MEIOB-like N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XUU8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 464 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
1M32.9Very low52.1Low242 Ų242136.2 Ų136.2100%1.19269%0.693SS**  093.70-70.2178.1-17300107.3
2A29Very low55.7Low102 Ų102127.6 Ų127.684%0.84366%0.658SS**  trans-83117179.600000108.2S4A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 3.31Å
3Y32.3Very low58.8Low226 Ų226117.8 Ų117.889%0.88661%0.608SS**  trans-65.592.4164.7-90.6-92.7000107.8R5Y3-R5 VanDerWaalsContact C-N 3.34Å; Y3-R5 PolarHBondContact O-N 3.11Å
4S33.2Very low61.4Low99 Ų99113.4 Ų113.469%0.69259%0.592SS**  trans-61.396.3163.9155.80000107.7A2 Q6A2-S4 VanDerWaalsContact C-N 3.26Å; A2-S4 PolarHBondContact O-N 3.31Å; S4-Q6 VanDerWaalsContact C-N 3.28Å; S4-Q6 PolarHBondContact O-N 3.48Å
5R39.3Very low63.6Low241 Ų241113.4 Ų113.491%0.90959%0.593SS**  trans-60.297.6156.7-78.7-179.3175-176-3.4106.1Y3 A7Y3-R5 VanDerWaalsContact C-N 3.34Å; Y3-R5 PolarHBondContact O-N 3.11Å; R5-A7 PolarHBondContact O-N 3.37Å; R5-A7 VanDerWaalsContact O-N 3.15Å
6Q38.8Very low65.5Low166 Ų166106.6 Ų106.678%0.77656%0.557SS**  trans-54.4120.9162.7-86.7176.7-16.500106.6S4 K8S4-Q6 VanDerWaalsContact C-N 3.28Å; S4-Q6 PolarHBondContact O-N 3.48Å; Q6-K8 PolarHBondContact O-N 3.21Å
7A42.4Very low67.1Low74 Ų74105.1 Ų105.161%0.61255%0.547SS*.  trans-51.7124.4164.700000106.9R5 D9R5-A7 PolarHBondContact O-N 3.37Å; R5-A7 VanDerWaalsContact O-N 3.15Å; A7-D9 PolarHBondContact O-N 2.99Å
8K59.7Low68.5Low115 Ų115102.1 Ų102.150%0.554%0.535SS..  trans-74.981.9178.4-72175.1175168.70107.4Q6 F10 D129Q6-K8 PolarHBondContact O-N 3.21Å; K8-F10 HydrophobicContact CB-CD2 4.05Å; K8-F10 HydrophobicContact CB-CE2 3.63Å; K8-F10 HydrophobicContact CB-CZ 4.37Å; K8-F10 HydrophobicContact CD-CE2 4.13Å; K8-F10 HydrophobicContact CG-CE2 4.37Å; K8-F10 WeakPolarHBondContact O-CD2 3.44Å; K8-F10 PolarHBondContact O-N 2.82Å; K8-D129 VanDerWaalsContact NZ-CG 3.33Å; K8-D129 IonicContact NZ-OD2 2.74Å; K8-D129 PolarHBondContact NZ-OD2 3.5Å
9D80.3Confident69.6Low131 Ų131103.6 Ų103.670%0.70154%0.544SS*.  trans-72.691.8178.6-73.2-15000109.2A7A7-D9 PolarHBondContact O-N 2.99Å
10F91.3Very high70.6Confident61 Ų61100.3 Ų100.327%0.26853%0.528SS..PPolyproline II helixtrans-89.3137.1168-65.5-75.2000109.6K8 R24 A26 I88 M132K8-F10 HydrophobicContact CB-CD2 4.05Å; K8-F10 HydrophobicContact CB-CE2 3.63Å; K8-F10 HydrophobicContact CB-CZ 4.37Å; K8-F10 HydrophobicContact CD-CE2 4.13Å; K8-F10 HydrophobicContact CG-CE2 4.37Å; K8-F10 WeakPolarHBondContact O-CD2 3.44Å; K8-F10 PolarHBondContact O-N 2.82Å; F10-R24 CarbonylContact C-O 3.59Å; F10-R24 VanDerWaalsContact CA-O 3.27Å; F10-R24 WeakPolarHBondContact CA-O 3.18Å; F10-R24 HydrophobicContact CD1-CG 4.1Å; F10-R24 HydrophobicContact CE1-CG 4.18Å; F10-A26 HydrophobicContact CD1-CB 3.72Å; F10-A26 HydrophobicContact CE1-CB 3.76Å; F10-A26 HydrophobicContact CG-CB 4.38Å; F10-A26 HydrophobicContact CZ-CB 4.44Å; F10-I88 HydrophobicContact CE1-CD1 4.17Å; F10-I88 HydrophobicContact CE1-CG1 3.95Å; F10-I88 HydrophobicContact CE1-CG2 3.9Å; F10-I88 HydrophobicContact CZ-CD1 4Å; F10-I88 HydrophobicContact CZ-CG1 4.2Å; F10-M132 HydrophobicContact CD1-CE 4.28Å; F10-M132 HydrophobicContact CD2-CE 4.04Å; F10-M132 HydrophobicContact CE1-CE 3.88Å; F10-M132 HydrophobicContact CE2-CE 3.58Å; F10-M132 HydrophobicContact CE2-SD 4.38Å; F10-M132 HydrophobicContact CG-CE 4.36Å; F10-M132 HydrophobicContact CZ-CE 3.51Å; F10-M132 HydrophobicContact CZ-SD 4.19Å
11V94.3Very high71.3Confident41 Ų41101 Ų10125%0.24854%0.536CS..PPolyproline II helixtrans-86.5124172.7-174.30000108.2D15 L16 T20 R24V11-D15 HydrophobicContact CG1-CB 4.34Å; V11-L16 HydrophobicContact CB-CD2 4.39Å; V11-L16 HydrophobicContact CG1-CD2 3.92Å; V11-L16 HydrophobicContact CG1-CG 4.34Å; V11-T20 HydrophobicContact CG1-CG2 4.46Å; V11-T20 HydrophobicContact CG2-CG2 4.32Å; V11-R24 PolarHBondContact N-O 3.2Å
12A95Very high73.9Confident33 Ų3396.6 Ų96.627%0.27351%0.513SS..PPolyproline II helixtrans-64.8147.6174.700000110.8S14 D15 L16 D57A12-S14 PolarHBondContact O-N 3.13Å; A12-D15 PolarHBondContact O-N 3.02Å; A12-L16 PolarHBondContact O-N 2.9Å; A12-D57 WeakPolarHBondContact CA-OD2 3.28Å
13I96.3Very high77Confident1 Ų192 Ų921%0.00547%0.474CS..G310 helixtrans-59.4-34.4179.9-69.2172.8000111.2D15 V25 I55 D57 I63I13-D15 PolarHBondContact O-N 3.46Å; I13-V25 HydrophobicContact CG1-CG1 4.09Å; I13-I55 HydrophobicContact CD1-CD1 4.4Å; I13-I55 HydrophobicContact CD1-CG1 4.08Å; I13-D57 WeakPolarHBondContact CB-OD2 3.16Å; I13-D57 HydrophobicContact CD1-CB 3.64Å; I13-D57 VanDerWaalsContact CD1-CG 3.48Å; I13-D57 HydrophobicContact CG1-CB 4.01Å; I13-D57 VanDerWaalsContact CG1-CG 3.49Å; I13-D57 WeakPolarHBondContact CG1-OD2 3.35Å; I13-D57 PolarHBondContact N-OD2 3.34Å; I13-I63 HydrophobicContact CD1-CB 4.42Å; I13-I63 HydrophobicContact CD1-CG2 3.76Å; I13-I63 HydrophobicContact CG1-CG2 4Å; I13-I63 HydrophobicContact CG2-CB 3.79Å; I13-I63 HydrophobicContact CG2-CD1 4.42Å; I13-I63 HydrophobicContact CG2-CG2 4.07Å
14S94.9Very high80Confident55 Ų5584.9 Ų84.939%0.38545%0.446SS..G310 helixtrans-61.8-27.9175.657.90000113.6A12A12-S14 PolarHBondContact O-N 3.13Å
15D94.1Very high83Confident114 Ų11480.2 Ų80.261%0.6141%0.413SS*.G310 helixtrans-103.41.2-169.9-56.4-15.2000112.1V11 A12 I13V11-D15 HydrophobicContact CG1-CB 4.34Å; A12-D15 PolarHBondContact O-N 3.02Å; I13-D15 PolarHBondContact O-N 3.46Å
16L94.1Very high85.7Confident4 Ų469 Ų692%0.02137%0.372CS..  trans-66.7138.1177.6-75.4171.1000111.2V11 A12 P23 V25 I63 V94 Y113 L115V11-L16 HydrophobicContact CB-CD2 4.39Å; V11-L16 HydrophobicContact CG1-CD2 3.92Å; V11-L16 HydrophobicContact CG1-CG 4.34Å; A12-L16 PolarHBondContact O-N 2.9Å; L16-P23 HydrophobicContact CD2-CB 4.17Å; L16-V25 HydrophobicContact CD1-CG2 4.15Å; L16-V25 HydrophobicContact CD2-CG2 3.74Å; L16-V25 HydrophobicContact CG-CG2 4.43Å; L16-I63 HydrophobicContact CD1-CD1 3.85Å; L16-V94 HydrophobicContact CB-CG1 4.4Å; L16-V94 HydrophobicContact CD2-CG2 4.01Å; L16-Y113 WeakPolarHBondContact O-CD2 3.37Å; L16-Y113 WeakPolarHBondContact O-CE2 3.5Å; L16-L115 HydrophobicContact CD1-CD2 3.95Å
17H92.6Very high88.5Confident81 Ų8161 Ų6138%0.37534%0.335SS..  trans-144.9153.5174.1-169.1-90.9000109.7N19 T20 Y113H17-N19 PolarHBondContact CE1-ND2 3.2Å; H17-N19 PolarHBondContact ND1-N 2.8Å; H17-N19 VanDerWaalsContact ND1-N 3.19Å; H17-N19 PolarHBondContact O-N 2.64Å; H17-T20 PolarHBondContact N-OG1 3.28Å; H17-T20 VanDerWaalsContact N-OG1 3.08Å; H17-T20 VanDerWaalsContact O-CB 3.23Å; H17-T20 WeakPolarHBondContact O-CB 3.35Å; H17-T20 PolarHBondContact O-N 3.01Å; H17-T20 PolarHBondContact O-OG1 3.49Å; H17-Y113 AromaticContact CD2-CZ 3.89Å; H17-Y113 PolarHBondContact CD2-OH 2.76Å
18P91.9Very high91.1Very high52 Ų5257.5 Ų57.534%0.33831%0.305SS..THydrogen-bonded Turntrans-56-19.7174.8-30.836.5000115.4Y113P18-Y113 HydrophobicContact CG-CD1 3.95Å; P18-Y113 HydrophobicContact CG-CE1 3.73Å
19N90.8Very high92.9Very high130 Ų13052 Ų5270%0.69528%0.282SS*.THydrogen-bonded Turntrans-91.1-4.1177.8-63.3-19.7000112.9H17 T21H17-N19 PolarHBondContact CE1-ND2 3.2Å; H17-N19 PolarHBondContact ND1-N 2.8Å; H17-N19 VanDerWaalsContact ND1-N 3.19Å; H17-N19 PolarHBondContact O-N 2.64Å; N19-T21 PolarHBondContact O-N 3.14Å; N19-T21 VanDerWaalsContact O-N 3.13Å
20T87.9Confident93.7Very high38 Ų3846.4 Ų46.423%0.23325%0.251CS..  trans-65.3113.8176.9-54.70000108.6V11 H17 P23V11-T20 HydrophobicContact CG1-CG2 4.46Å; V11-T20 HydrophobicContact CG2-CG2 4.32Å; H17-T20 PolarHBondContact N-OG1 3.28Å; H17-T20 VanDerWaalsContact N-OG1 3.08Å; H17-T20 VanDerWaalsContact O-CB 3.23Å; H17-T20 WeakPolarHBondContact O-CB 3.35Å; H17-T20 PolarHBondContact O-N 3.01Å; H17-T20 PolarHBondContact O-OG1 3.49Å; T20-P23 HydrophobicContact CG2-CB 3.83Å; T20-P23 HydrophobicContact CG2-CG 4.41Å
21T86.5Confident93.9Very high114 Ų11443.9 Ų43.970%0.69924%0.242SC*.SBendtrans-85.4132.6179.855.10000110.7N19N19-T21 PolarHBondContact O-N 3.14Å; N19-T21 VanDerWaalsContact O-N 3.13Å
22H88.2Confident93.9Very high150 Ų15043 Ų4369%0.69424%0.235SC*.SBendtrans49.751.7179.5-54.197.1000114.1R24 N91H22-R24 PolarHBondContact O-N 3.28Å; H22-N91 WeakPolarHBondContact CA-OD1 3.35Å; H22-N91 WeakPolarHBondContact CB-OD1 3.43Å; H22-N91 PolarHBondContact CD2-OD1 2.98Å
23P93Very high93.8Very high6 Ų642.8 Ų42.84%0.03923%0.231CC..  trans-62142.4-177.520.5-24.8000110.5L16 T20 V25 N91 P92 V94L16-P23 HydrophobicContact CD2-CB 4.17Å; T20-P23 HydrophobicContact CG2-CB 3.83Å; T20-P23 HydrophobicContact CG2-CG 4.41Å; P23-V25 HydrophobicContact CB-CG2 4.37Å; P23-N91 PolarHBondContact O-N 2.98Å; P23-P92 HydrophobicContact CB-CG 4.47Å; P23-P92 HydrophobicContact CG-CG 4.03Å; P23-P92 WeakPolarHBondContact CG-O 3.47Å; P23-P92 VanDerWaalsContact O-CD 3.27Å; P23-P92 WeakPolarHBondContact O-CD 3.35Å; P23-V94 HydrophobicContact CG-CG2 3.96Å
24R95.3Very high93.5Very high77 Ų7744.6 Ų44.629%0.29124%0.241SC..EExtended strand (participates in β ladder)trans-123.1105.4172-162.2178.1-172.3-154.24.7107.7F10 V11 H22 I88 I89 E90F10-R24 CarbonylContact C-O 3.59Å; F10-R24 VanDerWaalsContact CA-O 3.27Å; F10-R24 WeakPolarHBondContact CA-O 3.18Å; F10-R24 HydrophobicContact CD1-CG 4.1Å; F10-R24 HydrophobicContact CE1-CG 4.18Å; V11-R24 PolarHBondContact N-O 3.2Å; H22-R24 PolarHBondContact O-N 3.28Å; R24-I88 HydrophobicContact CG-CG2 4.25Å; R24-I89 WeakPolarHBondContact CA-O 3.38Å; R24-E90 HydrophobicContact CG-CG 4.13Å; R24-E90 IonicContact CZ-OE1 2.62Å; R24-E90 IonicContact NE-OE1 3.68Å; R24-E90 PolarHBondContact NE-OE1 3.31Å; R24-E90 IonicContact NH2-OE1 2.69Å; R24-E90 PolarHBondContact NH2-OE1 3.41Å
25V96.3Very high93.3Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-111.8146-172.2-173.20000108.7I13 L16 P23 I55 I89 P92 L115I13-V25 HydrophobicContact CG1-CG1 4.09Å; L16-V25 HydrophobicContact CD1-CG2 4.15Å; L16-V25 HydrophobicContact CD2-CG2 3.74Å; L16-V25 HydrophobicContact CG-CG2 4.43Å; P23-V25 HydrophobicContact CB-CG2 4.37Å; V25-I55 HydrophobicContact CG1-CD1 3.94Å; V25-I89 PolarHBondContact N-O 3.41Å; V25-I89 PolarHBondContact O-N 2.83Å; V25-P92 HydrophobicContact CG2-CG 4.37Å; V25-L115 HydrophobicContact CB-CD1 4.22Å; V25-L115 HydrophobicContact CG1-CD1 4.17Å; V25-L115 HydrophobicContact CG2-CD1 4.2Å
26A96.5Very high93.1Very high5 Ų542.8 Ų42.84%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-144.3146.7172.800000112.7F10 D57 V87 I88 M132F10-A26 HydrophobicContact CD1-CB 3.72Å; F10-A26 HydrophobicContact CE1-CB 3.76Å; F10-A26 HydrophobicContact CG-CB 4.38Å; F10-A26 HydrophobicContact CZ-CB 4.44Å; A26-D57 WeakPolarHBondContact O-CB 3.44Å; A26-V87 WeakPolarHBondContact CA-O 3.35Å; A26-V87 WeakPolarHBondContact CB-O 3.45Å; A26-I88 HydrophobicContact CB-CG1 4.1Å; A26-M132 HydrophobicContact CB-CE 2.97Å; A26-M132 HydrophobicContact CB-SD 4.35Å
27G97.1Very high92.8Very high0 Ų045.7 Ų45.70%024%0.244CC..EExtended strand (participates in β ladder)trans-170.4168.6-175.900000111.1K56 V87G27-K56 CarbonylContact C-O 3.59Å; G27-K56 WeakPolarHBondContact CA-O 3.39Å; G27-V87 PolarHBondContact N-O 3.26Å; G27-V87 VanDerWaalsContact N-O 3.17Å; G27-V87 PolarHBondContact O-N 3.06Å
28V97.5Very high92.4Very high0 Ų046.5 Ų46.50%025%0.247CC..EExtended strand (participates in β ladder)trans-89.4138.2172.464.70000109.7I30 I55 K56 G84 D85 L136 L139 L140V28-I30 HydrophobicContact CG1-CG2 4.03Å; V28-I30 PolarHBondContact O-N 3.12Å; V28-I55 CarbonylContact O-C 3.6Å; V28-I55 VanDerWaalsContact O-CA 3.26Å; V28-I55 WeakPolarHBondContact O-CA 3.37Å; V28-K56 HydrophobicContact CG1-CB 4.33Å; V28-K56 PolarHBondContact N-O 3.25Å; V28-K56 PolarHBondContact O-N 3.46Å; V28-G84 WeakPolarHBondContact CG2-O 3.45Å; V28-D85 WeakPolarHBondContact CA-O 3.45Å; V28-L136 HydrophobicContact CB-CB 4.22Å; V28-L136 WeakPolarHBondContact CG1-O 3.41Å; V28-L139 HydrophobicContact CG1-CB 4.16Å; V28-L140 HydrophobicContact CG1-CD2 4.43Å; V28-L140 HydrophobicContact CG1-CG 4.3Å; V28-L140 HydrophobicContact CG2-CD1 3.92Å; V28-L140 HydrophobicContact CG2-CD2 3.75Å; V28-L140 HydrophobicContact CG2-CG 3.73Å
29I97.6Very high91.9Very high0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-72.1116.5175.1-62.4176.6000109.1K32 F53 I55 F81 I83 G84 D85 V87I29-K32 HydrophobicContact CG2-CB 4.5Å; I29-F53 HydrophobicContact CD1-CD1 4.37Å; I29-F53 HydrophobicContact CD1-CD2 4.34Å; I29-F53 HydrophobicContact CD1-CG 4.25Å; I29-F53 HydrophobicContact CG1-CD2 4.11Å; I29-F53 HydrophobicContact CG1-CE2 4.45Å; I29-F53 HydrophobicContact CG1-CG 4.38Å; I29-F53 HydrophobicContact CG2-CB 3.96Å; I29-I55 HydrophobicContact CG1-CG2 4.18Å; I29-F81 HydrophobicContact CD1-CB 3.96Å; I29-F81 HydrophobicContact CD1-CD1 4.47Å; I29-I83 HydrophobicContact CG2-CG1 4.29Å; I29-G84 PolarHBondContact O-N 3.43Å; I29-D85 HydrophobicContact CD1-CB 4.38Å; I29-D85 PolarHBondContact N-O 2.81Å; I29-V87 HydrophobicContact CD1-CG1 3.71Å; I29-V87 HydrophobicContact CD1-CG2 4.49Å; I29-V87 HydrophobicContact CG1-CG1 4.06Å; I29-V87 HydrophobicContact CG1-CG2 4.11Å
30I96.4Very high91.4Very high12 Ų1244.2 Ų44.26%0.06224%0.237CC..EExtended strand (participates in β ladder)trans-105.3-13.9179.460.2161.3000113.4V28 T54 K56 F62 L140 V144 I254V28-I30 HydrophobicContact CG1-CG2 4.03Å; V28-I30 PolarHBondContact O-N 3.12Å; I30-T54 HydrophobicContact CD1-CG2 3.88Å; I30-T54 HydrophobicContact CG1-CG2 3.87Å; I30-T54 WeakPolarHBondContact CG1-O 3.23Å; I30-T54 PolarHBondContact N-O 3.44Å; I30-K56 HydrophobicContact CD1-CB 4.07Å; I30-K56 HydrophobicContact CD1-CD 4.27Å; I30-K56 HydrophobicContact CG1-CB 4.33Å; I30-K56 HydrophobicContact CG2-CB 3.69Å; I30-K56 HydrophobicContact CG2-CD 4.3Å; I30-F62 HydrophobicContact CD1-CB 4.2Å; I30-F62 HydrophobicContact CD1-CD2 4.3Å; I30-F62 HydrophobicContact CD1-CG 4.32Å; I30-L140 HydrophobicContact CG2-CD2 4.18Å; I30-V144 HydrophobicContact CD1-CG1 3.47Å; I30-V144 VanDerWaalsContact CD1-CG1 3.47Å; I30-I254 HydrophobicContact CD1-CD1 4.11Å
31G95.2Very high90.9Very high8 Ų854 Ų548%0.08227%0.27CS..EExtended strand (participates in β ladder)trans-158.3149.7177.800000110.6F53 T54G31-F53 CarbonylContact O-C 3.59Å; G31-F53 WeakPolarHBondContact O-CA 3.26Å; G31-F53 WeakPolarHBondContact O-CB 3.38Å; G31-T54 PolarHBondContact O-N 3.42Å
32K94.6Very high90.5Very high22 Ų2257.4 Ų57.410%0.09628%0.275CS..EExtended strand (participates in β ladder)trans-151.5143.4-177.1-172.6177.3159.6-1490110.8I29 F51 G52 F53 S78 F81 I83 E214I29-K32 HydrophobicContact CG2-CB 4.5Å; K32-F51 HydrophobicContact CG-CD2 4.44Å; K32-G52 WeakPolarHBondContact CA-O 3.31Å; K32-F53 HydrophobicContact CB-CB 4.16Å; K32-F53 HydrophobicContact CG-CB 4.15Å; K32-S78 PolarHBondContact NZ-O 2.76Å; K32-F81 PolarHBondContact NZ-O 3Å; K32-I83 HydrophobicContact CB-CD1 4.35Å; K32-I83 HydrophobicContact CB-CG1 3.95Å; K32-E214 HydrophobicContact CB-CB 4.3Å; K32-E214 HydrophobicContact CB-CG 4.23Å; K32-E214 HydrophobicContact CD-CG 4.08Å; K32-E214 VanDerWaalsContact CD-OE2 3.27Å; K32-E214 WeakPolarHBondContact CD-OE2 3.39Å; K32-E214 VanDerWaalsContact CE-CD 3.41Å; K32-E214 VanDerWaalsContact CE-OE2 3.31Å; K32-E214 WeakPolarHBondContact CE-OE2 3.27Å; K32-E214 HydrophobicContact CG-CG 3.94Å; K32-E214 IonicContact NZ-OE1 3Å; K32-E214 PolarHBondContact NZ-OE1 2.86Å; K32-E214 IonicContact NZ-OE2 2.85Å; K32-E214 PolarHBondContact NZ-OE2 2.98Å
33T92.3Very high89.8Confident30 Ų3052.7 Ų52.718%0.18426%0.259CS..  trans-109.1154.7178.969.30000111.6G52T33-G52 PolarHBondContact N-O 3.46Å; T33-G52 PolarHBondContact OG1-N 3.13Å; T33-G52 PolarHBondContact OG1-O 2.98Å
34D90.9Very high88.9Confident39 Ų3960.2 Ų60.221%0.20930%0.298CS..  trans-62.2155172.1-72.48.2000112.5R213 E214D34-R213 VanDerWaalsContact CG-N 3.34Å; D34-R213 WeakPolarHBondContact OD1-CB 3.46Å; D34-R213 PolarHBondContact OD1-N 3.48Å; D34-R213 PolarHBondContact OD2-N 3.28Å; D34-E214 PolarHBondContact OD1-N 3.43Å
35V91.6Very high88Confident42 Ų4260.2 Ų60.226%0.25532%0.322SS..  trans-66.5133.8174.1176.90000110.2F49 F51 I74 S78V35-F49 HydrophobicContact CG1-CB 4.47Å; V35-F49 HydrophobicContact CG1-CD1 3.96Å; V35-F51 HydrophobicContact CG2-CB 4.15Å; V35-F51 HydrophobicContact CG2-CG 4.47Å; V35-I74 HydrophobicContact CG1-CG2 3.73Å; V35-I74 HydrophobicContact CG2-CG2 4Å; V35-S78 VanDerWaalsContact CG2-CB 3.46Å; V35-S78 WeakPolarHBondContact CG2-OG 3.46Å
36K89.6Confident87.2Confident89 Ų8967.2 Ų67.239%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-119.9141.1175.4-62.4176.2-175.5172.80109.6F38 F49 T50K36-F38 HydrophobicContact CB-CD2 4.46Å; K36-F38 HydrophobicContact CB-CE2 3.54Å; K36-F38 HydrophobicContact CB-CZ 3.85Å; K36-F38 HydrophobicContact CD-CZ 4.2Å; K36-F49 CarbonylContact O-C 3.56Å; K36-F49 WeakPolarHBondContact O-CA 3.39Å; K36-T50 HydrophobicContact CB-CG2 4.33Å; K36-T50 PolarHBondContact N-O 3.1Å; K36-T50 PolarHBondContact O-N 2.96Å
37S87.8Confident86.7Confident64 Ų6471 Ų7145%0.44837%0.372SS..EExtended strand (participates in β ladder)trans-109.4148171.365.60000111R48S37-R48 CarbonylContact C-O 3.57Å; S37-R48 WeakPolarHBondContact CA-O 3.27Å
38F83.4Confident86.3Confident99 Ų9975.5 Ų75.543%0.43439%0.389SS..EExtended strand (participates in β ladder)trans-143.5142.7177.7-58.2-85.7000109.7K36 D40 D47 R48 T50K36-F38 HydrophobicContact CB-CD2 4.46Å; K36-F38 HydrophobicContact CB-CE2 3.54Å; K36-F38 HydrophobicContact CB-CZ 3.85Å; K36-F38 HydrophobicContact CD-CZ 4.2Å; F38-D40 PolarHBondContact O-N 2.8Å; F38-D47 CarbonylContact O-C 3.52Å; F38-D47 WeakPolarHBondContact O-CA 3.31Å; F38-R48 PolarHBondContact N-O 3.22Å; F38-R48 PolarHBondContact O-N 3.4Å; F38-T50 HydrophobicContact CD2-CG2 4.05Å; F38-T50 HydrophobicContact CE2-CG2 3.56Å
39P82.3Confident86Confident105 Ų10577 Ų7768%0.68240%0.395SS*.EExtended strand (participates in β ladder)trans-58.4130.4174.2-23.233.1000111.3R41 D47P39-R41 PolarHBondContact O-N 2.88Å; P39-D47 WeakPolarHBondContact CA-OD1 3.47Å
40D79.3Confident85.8Confident28 Ų2877.7 Ų77.715%0.1540%0.399CS..  trans-70.8120.9177.9-168.22.6000110.3F38 K42 S43 F46 R48F38-D40 PolarHBondContact O-N 2.8Å; D40-K42 PolarHBondContact O-N 3.06Å; D40-K42 PolarHBondContact OD1-N 3.42Å; D40-S43 WeakPolarHBondContact OD2-CB 3.49Å; D40-S43 PolarHBondContact OD2-N 2.93Å; D40-S43 PolarHBondContact OD2-OG 3.38Å; D40-F46 WeakPolarHBondContact CB-O 3.48Å; D40-F46 PolarHBondContact N-O 3.28Å; D40-R48 HydrophobicContact CB-CG 3.89Å
41R76.7Confident85.6Confident243 Ų24377.3 Ų77.392%0.91740%0.397SS*.SBendtrans-70.2-23.4175.9-64.2-175.6-179-177.2-0.2112.6P39P39-R41 PolarHBondContact O-N 2.88Å
42K78.3Confident85.5Confident186 Ų18677.5 Ų77.581%0.80940%0.399SS*.SBendtrans-91.4-32.8-178.9-65.5-173.7178.6-174.90112.3D40D40-K42 PolarHBondContact O-N 3.06Å; D40-K42 PolarHBondContact OD1-N 3.42Å
43S74.2Confident85.6Confident52 Ų5276.6 Ų76.636%0.36440%0.395SS..SBendtrans-122.684.3-174.5-370000109.6D40 G45 F46D40-S43 WeakPolarHBondContact OD2-CB 3.49Å; D40-S43 PolarHBondContact OD2-N 2.93Å; D40-S43 PolarHBondContact OD2-OG 3.38Å; S43-G45 PolarHBondContact O-N 3.42Å; S43-F46 PolarHBondContact O-N 2.8Å
44I74.6Confident85.8Confident164 Ų16475.4 Ų75.484%0.84139%0.388SS*.THydrogen-bonded Turntrans-56.4124.7-177-59.5172.1000109.6
45G76.1Confident86.1Confident77 Ų7773.5 Ų73.579%0.79438%0.378SS*.THydrogen-bonded Turntrans98.4-4.5-17900000115.2S43S43-G45 PolarHBondContact O-N 3.42Å
46F79.5Confident86.4Confident147 Ų14771.6 Ų71.665%0.64537%0.366SS*.  trans-111.7146172.8-65.6-86.1000111D40 S43D40-F46 WeakPolarHBondContact CB-O 3.48Å; D40-F46 PolarHBondContact N-O 3.28Å; S43-F46 PolarHBondContact O-N 2.8Å
47D85.9Confident86.7Confident84 Ų8467.9 Ų67.945%0.44935%0.35SS..EExtended strand (participates in β ladder)trans-96.1142.8172.4-73.8-17.3000110.6F38 P39 F49F38-D47 CarbonylContact O-C 3.52Å; F38-D47 WeakPolarHBondContact O-CA 3.31Å; P39-D47 WeakPolarHBondContact CA-OD1 3.47Å; D47-F49 HydrophobicContact CB-CE2 3.72Å; D47-F49 HydrophobicContact CB-CZ 4.14Å
48R87.8Confident87.1Confident94 Ų9466.3 Ų66.336%0.35534%0.339SS..EExtended strand (participates in β ladder)trans-100.3145.5166-72.4-17175.2177.93.8110.2S37 F38 D40S37-R48 CarbonylContact C-O 3.57Å; S37-R48 WeakPolarHBondContact CA-O 3.27Å; F38-R48 PolarHBondContact N-O 3.22Å; F38-R48 PolarHBondContact O-N 3.4Å; D40-R48 HydrophobicContact CB-CG 3.89Å
49F91.9Very high87.6Confident32 Ų3264.9 Ų64.914%0.1434%0.34CS..EExtended strand (participates in β ladder)trans-115.8147.1-176.8-66.4-104.8000110V35 K36 D47 G69 D71 I74V35-F49 HydrophobicContact CG1-CB 4.47Å; V35-F49 HydrophobicContact CG1-CD1 3.96Å; K36-F49 CarbonylContact O-C 3.56Å; K36-F49 WeakPolarHBondContact O-CA 3.39Å; D47-F49 HydrophobicContact CB-CE2 3.72Å; D47-F49 HydrophobicContact CB-CZ 4.14Å; F49-G69 PolarHBondContact N-O 3.48Å; F49-G69 VanDerWaalsContact N-O 3.09Å; F49-G69 PolarHBondContact O-N 2.97Å; F49-D71 HydrophobicContact CD2-CB 3.8Å; F49-D71 HydrophobicContact CE1-CB 4.26Å; F49-D71 WeakPolarHBondContact CE1-OD1 3.48Å; F49-D71 HydrophobicContact CE2-CB 3.51Å; F49-D71 HydrophobicContact CG-CB 4.33Å; F49-D71 HydrophobicContact CZ-CB 3.76Å; F49-D71 WeakPolarHBondContact CZ-OD1 3.44Å; F49-I74 HydrophobicContact CB-CB 3.74Å; F49-I74 HydrophobicContact CB-CG1 3.86Å; F49-I74 HydrophobicContact CB-CG2 3.78Å
50T92.6Very high88.1Confident14 Ų1465.8 Ų65.89%0.08634%0.339CS..EExtended strand (participates in β ladder)trans-150.8149.7176.2-174.60000111.3K36 F38 L67 W68K36-T50 HydrophobicContact CB-CG2 4.33Å; K36-T50 PolarHBondContact N-O 3.1Å; K36-T50 PolarHBondContact O-N 2.96Å; F38-T50 HydrophobicContact CD2-CG2 4.05Å; F38-T50 HydrophobicContact CE2-CG2 3.56Å; T50-L67 WeakPolarHBondContact CA-O 3.35Å; T50-L67 VanDerWaalsContact CB-O 3.23Å; T50-L67 WeakPolarHBondContact CB-O 3.33Å; T50-L67 PolarHBondContact OG1-O 2.84Å; T50-W68 HydrophobicContact CG2-CE3 4.28Å; T50-W68 HydrophobicContact CG2-CH2 3.9Å; T50-W68 HydrophobicContact CG2-CZ2 4.3Å; T50-W68 HydrophobicContact CG2-CZ3 3.89Å
51F93.4Very high88.9Confident5 Ų569.4 Ų69.42%0.02235%0.352CS..EExtended strand (participates in β ladder)trans-146.1167.716375.8-70.6000108K32 V35 F53 L67 I74 L77K32-F51 HydrophobicContact CG-CD2 4.44Å; V35-F51 HydrophobicContact CG2-CB 4.15Å; V35-F51 HydrophobicContact CG2-CG 4.47Å; F51-F53 AromaticContact CE2-CD1 3.84Å; F51-F53 HydrophobicContact CE2-CD1 3.84Å; F51-F53 HydrophobicContact CE2-CE1 4.26Å; F51-F53 HydrophobicContact CZ-CD1 4.47Å; F51-F53 HydrophobicContact CZ-CE1 4.46Å; F51-L67 HydrophobicContact CD1-CB 3.95Å; F51-L67 HydrophobicContact CD1-CD1 4.21Å; F51-L67 HydrophobicContact CD1-CG 4.5Å; F51-L67 HydrophobicContact CD2-CD1 4.28Å; F51-L67 HydrophobicContact CE1-CB 3.75Å; F51-L67 HydrophobicContact CE1-CD1 3.9Å; F51-L67 HydrophobicContact CE1-CD2 3.8Å; F51-L67 HydrophobicContact CE1-CG 4Å; F51-L67 HydrophobicContact CE2-CD1 3.95Å; F51-L67 HydrophobicContact CG-CD1 4.42Å; F51-L67 HydrophobicContact CZ-CB 4.44Å; F51-L67 HydrophobicContact CZ-CD1 3.76Å; F51-L67 HydrophobicContact CZ-CD2 3.79Å; F51-L67 HydrophobicContact CZ-CG 4.19Å; F51-L67 PolarHBondContact N-O 3.16Å; F51-L67 WeakPolarHBondContact O-CD1 3.42Å; F51-L67 PolarHBondContact O-N 3.03Å; F51-I74 HydrophobicContact CD1-CD1 4.22Å; F51-I74 HydrophobicContact CD1-CG2 3.75Å; F51-I74 HydrophobicContact CE1-CD1 4.27Å; F51-I74 HydrophobicContact CE1-CG2 4.28Å; F51-L77 HydrophobicContact CE1-CB 3.92Å; F51-L77 HydrophobicContact CZ-CB 3.87Å
52G93.6Very high89.8Confident12 Ų1258.5 Ų58.512%0.12431%0.311CS..EExtended strand (participates in β ladder)trans-132.2159175.900000112.3K32 T33 V65K32-G52 WeakPolarHBondContact CA-O 3.31Å; T33-G52 PolarHBondContact N-O 3.46Å; T33-G52 PolarHBondContact OG1-N 3.13Å; T33-G52 PolarHBondContact OG1-O 2.98Å; G52-V65 CarbonylContact C-O 3.59Å; G52-V65 WeakPolarHBondContact CA-O 3.01Å
53F95.2Very high90.7Very high3 Ų349.7 Ų49.71%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-139.9161.2164.553.4-107.7000110.1I29 G31 K32 F51 I55 V65 L67 V87 I89 L124I29-F53 HydrophobicContact CD1-CD1 4.37Å; I29-F53 HydrophobicContact CD1-CD2 4.34Å; I29-F53 HydrophobicContact CD1-CG 4.25Å; I29-F53 HydrophobicContact CG1-CD2 4.11Å; I29-F53 HydrophobicContact CG1-CE2 4.45Å; I29-F53 HydrophobicContact CG1-CG 4.38Å; I29-F53 HydrophobicContact CG2-CB 3.96Å; G31-F53 CarbonylContact O-C 3.59Å; G31-F53 WeakPolarHBondContact O-CA 3.26Å; G31-F53 WeakPolarHBondContact O-CB 3.38Å; K32-F53 HydrophobicContact CB-CB 4.16Å; K32-F53 HydrophobicContact CG-CB 4.15Å; F51-F53 AromaticContact CE2-CD1 3.84Å; F51-F53 HydrophobicContact CE2-CD1 3.84Å; F51-F53 HydrophobicContact CE2-CE1 4.26Å; F51-F53 HydrophobicContact CZ-CD1 4.47Å; F51-F53 HydrophobicContact CZ-CE1 4.46Å; F53-I55 HydrophobicContact CD2-CG2 3.52Å; F53-I55 HydrophobicContact CE2-CG2 3.5Å; F53-V65 HydrophobicContact CD2-CB 3.78Å; F53-V65 HydrophobicContact CD2-CG1 4.44Å; F53-V65 HydrophobicContact CD2-CG2 3.9Å; F53-V65 HydrophobicContact CE2-CB 3.57Å; F53-V65 HydrophobicContact CE2-CG1 3.8Å; F53-V65 HydrophobicContact CE2-CG2 3.61Å; F53-V65 HydrophobicContact CG-CB 4.49Å; F53-V65 HydrophobicContact CZ-CB 4.14Å; F53-V65 HydrophobicContact CZ-CG1 3.9Å; F53-V65 PolarHBondContact N-O 3.49Å; F53-V65 WeakPolarHBondContact O-CB 3.48Å; F53-V65 PolarHBondContact O-N 3.16Å; F53-L67 HydrophobicContact CD1-CD1 3.69Å; F53-L67 HydrophobicContact CE1-CD1 3.42Å; F53-L67 VanDerWaalsContact CE1-CD1 3.42Å; F53-L67 HydrophobicContact CE1-CD2 4.1Å; F53-L67 HydrophobicContact CE1-CG 4.35Å; F53-L67 HydrophobicContact CZ-CD1 4.14Å; F53-V87 HydrophobicContact CE2-CG2 4.35Å; F53-I89 HydrophobicContact CE2-CD1 4.07Å; F53-I89 HydrophobicContact CZ-CD1 4.3Å; F53-L124 HydrophobicContact CE1-CD2 3.9Å; F53-L124 HydrophobicContact CZ-CD1 4.02Å; F53-L124 HydrophobicContact CZ-CD2 3.9Å
54T97Very high91.7Very high4 Ų447.7 Ų47.73%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-108.5127.1175.5-53.30000107.5I30 G31 F62 I63 N64 T109 I254I30-T54 HydrophobicContact CD1-CG2 3.88Å; I30-T54 HydrophobicContact CG1-CG2 3.87Å; I30-T54 WeakPolarHBondContact CG1-O 3.23Å; I30-T54 PolarHBondContact N-O 3.44Å; G31-T54 PolarHBondContact O-N 3.42Å; T54-F62 HydrophobicContact CG2-CB 4.4Å; T54-F62 HydrophobicContact CG2-CD2 3.75Å; T54-I63 WeakPolarHBondContact CA-O 3.38Å; T54-N64 PolarHBondContact OG1-OD1 3.46Å; T54-T109 HydrophobicContact CG2-CG2 4.42Å; T54-I254 HydrophobicContact CG2-CD1 4.31Å
55I97.8Very high92.8Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-109.1146.417664.8174.9000111.3I13 V25 V28 I29 F53 F62 I63 V65 V87 I89 L115I13-I55 HydrophobicContact CD1-CD1 4.4Å; I13-I55 HydrophobicContact CD1-CG1 4.08Å; V25-I55 HydrophobicContact CG1-CD1 3.94Å; V28-I55 CarbonylContact O-C 3.6Å; V28-I55 VanDerWaalsContact O-CA 3.26Å; V28-I55 WeakPolarHBondContact O-CA 3.37Å; I29-I55 HydrophobicContact CG1-CG2 4.18Å; F53-I55 HydrophobicContact CD2-CG2 3.52Å; F53-I55 HydrophobicContact CE2-CG2 3.5Å; I55-F62 CarbonylContact O-C 3.52Å; I55-F62 WeakPolarHBondContact O-CA 3.34Å; I55-F62 WeakPolarHBondContact O-CB 3.29Å; I55-I63 HydrophobicContact CD1-CG2 4.06Å; I55-I63 HydrophobicContact CG1-CG2 3.61Å; I55-I63 PolarHBondContact N-O 2.79Å; I55-I63 PolarHBondContact O-N 3.16Å; I55-V65 HydrophobicContact CD1-CG2 4.14Å; I55-V65 HydrophobicContact CG1-CG2 4.05Å; I55-V65 HydrophobicContact CG2-CG2 4.23Å; I55-V87 HydrophobicContact CG2-CG2 3.88Å; I55-I89 HydrophobicContact CD1-CD1 3.9Å; I55-L115 HydrophobicContact CD1-CD1 4.31Å
56K97.3Very high93.7Very high1 Ų137.5 Ų37.50%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-121.8130.4176.7-170.1165.8-177.7170.10109.6G27 V28 I30 S58 P59 F62 L139 L142 P143G27-K56 CarbonylContact C-O 3.59Å; G27-K56 WeakPolarHBondContact CA-O 3.39Å; V28-K56 HydrophobicContact CG1-CB 4.33Å; V28-K56 PolarHBondContact N-O 3.25Å; V28-K56 PolarHBondContact O-N 3.46Å; I30-K56 HydrophobicContact CD1-CB 4.07Å; I30-K56 HydrophobicContact CD1-CD 4.27Å; I30-K56 HydrophobicContact CG1-CB 4.33Å; I30-K56 HydrophobicContact CG2-CB 3.69Å; I30-K56 HydrophobicContact CG2-CD 4.3Å; K56-S58 WeakPolarHBondContact CE-O 3.1Å; K56-S58 WeakPolarHBondContact CG-O 3.47Å; K56-P59 WeakPolarHBondContact CE-O 3.31Å; K56-P59 PolarHBondContact NZ-O 3.42Å; K56-P59 VanDerWaalsContact NZ-O 3.07Å; K56-F62 HydrophobicContact CB-CB 4Å; K56-F62 HydrophobicContact CG-CB 4.12Å; K56-L139 HydrophobicContact CD-CB 4.22Å; K56-L139 HydrophobicContact CG-CB 4.25Å; K56-L139 HydrophobicContact CG-CD1 4.34Å; K56-L142 PolarHBondContact NZ-O 2.77Å; K56-P143 PolarHBondContact NZ-O 2.77Å
57D96.3Very high94.4Very high11 Ų1130.5 Ų30.56%0.05916%0.158CC..SBendtrans-114.5-15-179.477.6-21.6000113.5A12 I13 A26 Y61 R135 L139A12-D57 WeakPolarHBondContact CA-OD2 3.28Å; I13-D57 WeakPolarHBondContact CB-OD2 3.16Å; I13-D57 HydrophobicContact CD1-CB 3.64Å; I13-D57 VanDerWaalsContact CD1-CG 3.48Å; I13-D57 HydrophobicContact CG1-CB 4.01Å; I13-D57 VanDerWaalsContact CG1-CG 3.49Å; I13-D57 WeakPolarHBondContact CG1-OD2 3.35Å; I13-D57 PolarHBondContact N-OD2 3.34Å; A26-D57 WeakPolarHBondContact O-CB 3.44Å; D57-Y61 PolarHBondContact N-O 3Å; D57-R135 PolarHBondContact O-NH1 2.94Å; D57-L139 VanDerWaalsContact C-CD1 3.4Å
58S95.8Very high94.7Very high31 Ų3130.8 Ų30.822%0.21715%0.153CC..SBendtrans-153.7169-17759.60000110K56 D60 Y61K56-S58 WeakPolarHBondContact CE-O 3.1Å; K56-S58 WeakPolarHBondContact CG-O 3.47Å; S58-D60 VanDerWaalsContact C-N 3.29Å; S58-D60 PolarHBondContact O-N 3.38Å; S58-Y61 VanDerWaalsContact OG-CB 3.31Å; S58-Y61 WeakPolarHBondContact OG-CB 3.45Å; S58-Y61 PolarHBondContact OG-N 3.42Å
59P93.8Very high94.8Very high70 Ų7026.7 Ų26.746%0.45514%0.141SC..SBendtrans-56.1-41.1-179.8-29.438.1000114K56 L139 L142K56-P59 WeakPolarHBondContact CE-O 3.31Å; K56-P59 PolarHBondContact NZ-O 3.42Å; K56-P59 VanDerWaalsContact NZ-O 3.07Å; P59-L139 HydrophobicContact CG-CD2 4.22Å; P59-L142 HydrophobicContact CB-CD1 3.92Å; P59-L142 HydrophobicContact CG-CD1 4.05Å
60D93.6Very high94.8Very high123 Ų12328.6 Ų28.666%0.65815%0.152SC*.SBendtrans-103.1-15.3-170-55.7-53.1000113.9S58 P110S58-D60 VanDerWaalsContact C-N 3.29Å; S58-D60 PolarHBondContact O-N 3.38Å; D60-P110 WeakPolarHBondContact O-CG 3.41Å
61Y95.1Very high94.7Very high105 Ų10531.9 Ų31.941%0.41217%0.169SC..  trans-116.3127.8-177.1-60.6-91.6000112.9D57 S58D57-Y61 PolarHBondContact N-O 3Å; S58-Y61 VanDerWaalsContact OG-CB 3.31Å; S58-Y61 WeakPolarHBondContact OG-CB 3.45Å; S58-Y61 PolarHBondContact OG-N 3.42Å
62F96.6Very high94.6Very high14 Ų1434 Ų346%0.06119%0.193CC..EExtended strand (participates in β ladder)trans-148.9155.2173.657.4-82.6000109.5I30 T54 I55 K56 S108 T109 P110 V144I30-F62 HydrophobicContact CD1-CB 4.2Å; I30-F62 HydrophobicContact CD1-CD2 4.3Å; I30-F62 HydrophobicContact CD1-CG 4.32Å; T54-F62 HydrophobicContact CG2-CB 4.4Å; T54-F62 HydrophobicContact CG2-CD2 3.75Å; I55-F62 CarbonylContact O-C 3.52Å; I55-F62 WeakPolarHBondContact O-CA 3.34Å; I55-F62 WeakPolarHBondContact O-CB 3.29Å; K56-F62 HydrophobicContact CB-CB 4Å; K56-F62 HydrophobicContact CG-CB 4.12Å; F62-S108 VanDerWaalsContact CE2-O 3.3Å; F62-S108 WeakPolarHBondContact CE2-O 3.28Å; F62-T109 HydrophobicContact CD2-CG2 3.79Å; F62-T109 HydrophobicContact CE2-CG2 3.88Å; F62-P110 HydrophobicContact CD1-CG 3.79Å; F62-P110 HydrophobicContact CE1-CG 3.72Å; F62-P110 HydrophobicContact CG-CG 4.33Å; F62-P110 HydrophobicContact CZ-CG 4.22Å; F62-V144 HydrophobicContact CD1-CG1 4.48Å; F62-V144 HydrophobicContact CE1-CB 4.07Å; F62-V144 HydrophobicContact CE1-CG1 4.23Å; F62-V144 HydrophobicContact CE2-CB 4.22Å; F62-V144 HydrophobicContact CE2-CG1 4.25Å; F62-V144 HydrophobicContact CZ-CB 3.75Å; F62-V144 HydrophobicContact CZ-CG1 4.1Å
63I96.6Very high94.5Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-144.2147.6-171.5-164.9166.9000111.3I13 L16 T54 I55 Y113 L115I13-I63 HydrophobicContact CD1-CB 4.42Å; I13-I63 HydrophobicContact CD1-CG2 3.76Å; I13-I63 HydrophobicContact CG1-CG2 4Å; I13-I63 HydrophobicContact CG2-CB 3.79Å; I13-I63 HydrophobicContact CG2-CD1 4.42Å; I13-I63 HydrophobicContact CG2-CG2 4.07Å; L16-I63 HydrophobicContact CD1-CD1 3.85Å; T54-I63 WeakPolarHBondContact CA-O 3.38Å; I55-I63 HydrophobicContact CD1-CG2 4.06Å; I55-I63 HydrophobicContact CG1-CG2 3.61Å; I55-I63 PolarHBondContact N-O 2.79Å; I55-I63 PolarHBondContact O-N 3.16Å; I63-Y113 WeakPolarHBondContact CD1-O 3.48Å; I63-Y113 VanDerWaalsContact CG1-O 3.28Å; I63-Y113 WeakPolarHBondContact CG1-O 3.16Å; I63-L115 HydrophobicContact CD1-CD2 4.33Å; I63-L115 HydrophobicContact CD1-CG 4.05Å; I63-L115 HydrophobicContact CG2-CD1 4.16Å; I63-L115 HydrophobicContact CG2-CG 4.39Å
64N96.3Very high94.5Very high11 Ų1135.6 Ų35.66%0.05920%0.195CC..EExtended strand (participates in β ladder)trans-82.3138.6174-70.2-32.9000110.7T54 C106 P107 T109 L115T54-N64 PolarHBondContact OG1-OD1 3.46Å; N64-C106 PolarHBondContact ND2-SG 3.46Å; N64-C106 VanDerWaalsContact ND2-SG 3.38Å; N64-P107 PolarHBondContact ND2-O 3.33Å; N64-T109 HydrophobicContact CB-CG2 4.41Å; N64-T109 VanDerWaalsContact CG-CG2 3.49Å; N64-T109 WeakPolarHBondContact ND2-CG2 3.37Å; N64-T109 WeakPolarHBondContact OD1-CG2 3.37Å; N64-L115 PolarHBondContact O-N 3.38Å
65V96.4Very high94.3Very high1 Ų137.8 Ų37.81%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-118.9127.4176.2-171.50000107.9G52 F53 I55 L67 I89 L115 V117G52-V65 CarbonylContact C-O 3.59Å; G52-V65 WeakPolarHBondContact CA-O 3.01Å; F53-V65 HydrophobicContact CD2-CB 3.78Å; F53-V65 HydrophobicContact CD2-CG1 4.44Å; F53-V65 HydrophobicContact CD2-CG2 3.9Å; F53-V65 HydrophobicContact CE2-CB 3.57Å; F53-V65 HydrophobicContact CE2-CG1 3.8Å; F53-V65 HydrophobicContact CE2-CG2 3.61Å; F53-V65 HydrophobicContact CG-CB 4.49Å; F53-V65 HydrophobicContact CZ-CB 4.14Å; F53-V65 HydrophobicContact CZ-CG1 3.9Å; F53-V65 PolarHBondContact N-O 3.49Å; F53-V65 WeakPolarHBondContact O-CB 3.48Å; F53-V65 PolarHBondContact O-N 3.16Å; I55-V65 HydrophobicContact CD1-CG2 4.14Å; I55-V65 HydrophobicContact CG1-CG2 4.05Å; I55-V65 HydrophobicContact CG2-CG2 4.23Å; V65-L67 HydrophobicContact CG1-CD1 4.3Å; V65-I89 HydrophobicContact CB-CD1 4.49Å; V65-I89 HydrophobicContact CG1-CD1 3.91Å; V65-I89 HydrophobicContact CG2-CD1 3.82Å; V65-L115 CarbonylContact C-O 3.53Å; V65-L115 WeakPolarHBondContact CA-O 3.17Å; V65-L115 HydrophobicContact CB-CB 4.42Å; V65-L115 HydrophobicContact CG1-CB 4.14Å; V65-L115 HydrophobicContact CG2-CB 4.14Å; V65-L115 HydrophobicContact CG2-CD1 4.19Å; V65-V117 HydrophobicContact CG1-CG2 3.65Å
66S94.8Very high94Very high26 Ų2639.3 Ų39.318%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-117127175.5-52.70000110.4L115 L116 V117S66-L115 PolarHBondContact N-O 3.07Å; S66-L116 WeakPolarHBondContact O-CA 3.36Å; S66-V117 PolarHBondContact O-N 3.22Å
67L94.4Very high93.9Very high0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-105.1134.6-177.9-59.794.6000109.4T50 F51 F53 V65 I74 L77 V117 L124T50-L67 WeakPolarHBondContact CA-O 3.35Å; T50-L67 VanDerWaalsContact CB-O 3.23Å; T50-L67 WeakPolarHBondContact CB-O 3.33Å; T50-L67 PolarHBondContact OG1-O 2.84Å; F51-L67 HydrophobicContact CD1-CB 3.95Å; F51-L67 HydrophobicContact CD1-CD1 4.21Å; F51-L67 HydrophobicContact CD1-CG 4.5Å; F51-L67 HydrophobicContact CD2-CD1 4.28Å; F51-L67 HydrophobicContact CE1-CB 3.75Å; F51-L67 HydrophobicContact CE1-CD1 3.9Å; F51-L67 HydrophobicContact CE1-CD2 3.8Å; F51-L67 HydrophobicContact CE1-CG 4Å; F51-L67 HydrophobicContact CE2-CD1 3.95Å; F51-L67 HydrophobicContact CG-CD1 4.42Å; F51-L67 HydrophobicContact CZ-CB 4.44Å; F51-L67 HydrophobicContact CZ-CD1 3.76Å; F51-L67 HydrophobicContact CZ-CD2 3.79Å; F51-L67 HydrophobicContact CZ-CG 4.19Å; F51-L67 PolarHBondContact N-O 3.16Å; F51-L67 WeakPolarHBondContact O-CD1 3.42Å; F51-L67 PolarHBondContact O-N 3.03Å; F53-L67 HydrophobicContact CD1-CD1 3.69Å; F53-L67 HydrophobicContact CE1-CD1 3.42Å; F53-L67 VanDerWaalsContact CE1-CD1 3.42Å; F53-L67 HydrophobicContact CE1-CD2 4.1Å; F53-L67 HydrophobicContact CE1-CG 4.35Å; F53-L67 HydrophobicContact CZ-CD1 4.14Å; V65-L67 HydrophobicContact CG1-CD1 4.3Å; L67-I74 HydrophobicContact CB-CD1 3.89Å; L67-L77 HydrophobicContact CD2-CD1 3.57Å; L67-V117 WeakPolarHBondContact CA-O 3.43Å; L67-V117 HydrophobicContact CD2-CB 4.24Å; L67-V117 HydrophobicContact CD2-CG1 4.06Å; L67-V117 HydrophobicContact CG-CB 4.03Å; L67-V117 HydrophobicContact CG-CG1 4.39Å; L67-L124 HydrophobicContact CD2-CD2 3.85Å
68W92.1Very high93.7Very high89 Ų8940 Ų4034%0.33723%0.226SC..EExtended strand (participates in β ladder)trans-132.6132.7-179.2-66.587000110.9T50 V117T50-W68 HydrophobicContact CG2-CE3 4.28Å; T50-W68 HydrophobicContact CG2-CH2 3.9Å; T50-W68 HydrophobicContact CG2-CZ2 4.3Å; T50-W68 HydrophobicContact CG2-CZ3 3.89Å; W68-V117 PolarHBondContact N-O 2.86Å
69G91.3Very high93.5Very high9 Ų942.5 Ų42.59%0.09324%0.238CC..EExtended strand (participates in β ladder)trans-177-165.1-179.500000113.4F49F49-G69 PolarHBondContact N-O 3.48Å; F49-G69 VanDerWaalsContact N-O 3.09Å; F49-G69 PolarHBondContact O-N 2.97Å
70N90.7Very high93.5Very high72 Ų7242.5 Ų42.539%0.38524%0.239SC..  trans-77.7170.4171.170.259.1000111.5G72 Y73 I74 E119N70-G72 PolarHBondContact OD1-N 3.27Å; N70-G72 VanDerWaalsContact OD1-N 3.1Å; N70-Y73 WeakPolarHBondContact OD1-CB 3.46Å; N70-Y73 PolarHBondContact OD1-N 3.39Å; N70-I74 WeakPolarHBondContact O-CB 3.4Å; N70-I74 WeakPolarHBondContact O-CG1 3.28Å; N70-I74 PolarHBondContact O-N 3.23Å; N70-E119 PolarHBondContact ND2-OE1 3.29Å; N70-E119 PolarHBondContact ND2-OE2 2.85Å
71D90.5Very high93.5Very high82 Ų8237.1 Ų37.144%0.43921%0.21SC..Hα-helixtrans-55-53-178.2-175.244000113F49 Y73 I74 N75F49-D71 HydrophobicContact CD2-CB 3.8Å; F49-D71 HydrophobicContact CE1-CB 4.26Å; F49-D71 WeakPolarHBondContact CE1-OD1 3.48Å; F49-D71 HydrophobicContact CE2-CB 3.51Å; F49-D71 HydrophobicContact CG-CB 4.33Å; F49-D71 HydrophobicContact CZ-CB 3.76Å; F49-D71 WeakPolarHBondContact CZ-OD1 3.44Å; D71-Y73 PolarHBondContact O-N 3.05Å; D71-I74 PolarHBondContact O-N 3.13Å; D71-N75 WeakPolarHBondContact O-CB 3.49Å; D71-N75 PolarHBondContact O-N 3.27Å; D71-N75 PolarHBondContact O-ND2 3.42Å; D71-N75 PolarHBondContact OD1-ND2 3.11Å
72G91.1Very high93.3Very high51 Ų5139.2 Ų39.253%0.52622%0.217SC..Hα-helixtrans-64.1-43.4-176.100000112.9N70 G76N70-G72 PolarHBondContact OD1-N 3.27Å; N70-G72 VanDerWaalsContact OD1-N 3.1Å; G72-G76 PolarHBondContact O-N 3.07Å
73Y91.8Very high93Very high47 Ų4740.6 Ų40.618%0.18423%0.225CC..Hα-helixtrans-62.5-50.5177.1177.1-103.7000111.4N70 D71 G76 L77 E119N70-Y73 WeakPolarHBondContact OD1-CB 3.46Å; N70-Y73 PolarHBondContact OD1-N 3.39Å; D71-Y73 PolarHBondContact O-N 3.05Å; Y73-G76 PolarHBondContact O-N 2.93Å; Y73-L77 HydrophobicContact CD1-CD1 4.12Å; Y73-L77 HydrophobicContact CE1-CD1 3.5Å; Y73-L77 HydrophobicContact CE1-CG 4.47Å; Y73-L77 HydrophobicContact CE2-CD1 3.96Å; Y73-L77 HydrophobicContact CE2-CG 4.34Å; Y73-L77 VanDerWaalsContact CZ-CD1 3.42Å; Y73-L77 WeakPolarHBondContact O-CG 3.47Å; Y73-L77 PolarHBondContact O-N 3.37Å; Y73-E119 HydrophobicContact CD1-CB 4.02Å; Y73-E119 HydrophobicContact CD1-CG 4.44Å; Y73-E119 HydrophobicContact CD2-CB 4.18Å; Y73-E119 HydrophobicContact CD2-CG 3.81Å; Y73-E119 HydrophobicContact CE1-CB 3.87Å; Y73-E119 HydrophobicContact CE2-CB 4.03Å; Y73-E119 HydrophobicContact CE2-CG 3.93Å; Y73-E119 HydrophobicContact CG-CB 4.16Å; Y73-E119 HydrophobicContact CG-CG 4.07Å
74I94.5Very high92.8Very high0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-68.5-44.2-175.8-70.6-64.9000112.1V35 F49 F51 L67 N70 D71 G76 L77 S78V35-I74 HydrophobicContact CG1-CG2 3.73Å; V35-I74 HydrophobicContact CG2-CG2 4Å; F49-I74 HydrophobicContact CB-CB 3.74Å; F49-I74 HydrophobicContact CB-CG1 3.86Å; F49-I74 HydrophobicContact CB-CG2 3.78Å; F51-I74 HydrophobicContact CD1-CD1 4.22Å; F51-I74 HydrophobicContact CD1-CG2 3.75Å; F51-I74 HydrophobicContact CE1-CD1 4.27Å; F51-I74 HydrophobicContact CE1-CG2 4.28Å; L67-I74 HydrophobicContact CB-CD1 3.89Å; N70-I74 WeakPolarHBondContact O-CB 3.4Å; N70-I74 WeakPolarHBondContact O-CG1 3.28Å; N70-I74 PolarHBondContact O-N 3.23Å; D71-I74 PolarHBondContact O-N 3.13Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-L77 PolarHBondContact O-N 3.36Å; I74-S78 VanDerWaalsContact O-CB 3.32Å; I74-S78 WeakPolarHBondContact O-CB 3.45Å; I74-S78 PolarHBondContact O-N 3.38Å
75N92.8Very high92.6Very high50 Ų5043 Ų4327%0.26724%0.243SC..Hα-helixtrans-67.4-35.8175.9-75.3-80000111.8D71 S78 N79D71-N75 WeakPolarHBondContact O-CB 3.49Å; D71-N75 PolarHBondContact O-N 3.27Å; D71-N75 PolarHBondContact O-ND2 3.42Å; D71-N75 PolarHBondContact OD1-ND2 3.11Å; N75-S78 PolarHBondContact O-N 3.48Å; N75-N79 WeakPolarHBondContact O-CB 3.48Å; N75-N79 VanDerWaalsContact O-CG 3.23Å; N75-N79 PolarHBondContact O-N 2.84Å; N75-N79 PolarHBondContact O-ND2 3.14Å; N75-N79 VanDerWaalsContact O-ND2 3.08Å
76G93.2Very high92.6Very high33 Ų3343.2 Ų43.234%0.3424%0.244SC..Hα-helixtrans-57.9-50.7173.400000111.9G72 Y73 I74 N79 S80G72-G76 PolarHBondContact O-N 3.07Å; Y73-G76 PolarHBondContact O-N 2.93Å; I74-G76 VanDerWaalsContact C-N 3.32Å; G76-N79 PolarHBondContact O-N 3.43Å; G76-S80 WeakPolarHBondContact O-CB 3.48Å; G76-S80 PolarHBondContact O-N 3.37Å; G76-S80 PolarHBondContact O-OG 3.35Å
77L93.6Very high92.7Very high23 Ų2342 Ų4212%0.1224%0.235CC..Hα-helixtrans-64.1-50.3175.3-65.2-178.2000111.4F51 L67 Y73 I74 N79 S80 F81 L124F51-L77 HydrophobicContact CE1-CB 3.92Å; F51-L77 HydrophobicContact CZ-CB 3.87Å; L67-L77 HydrophobicContact CD2-CD1 3.57Å; Y73-L77 HydrophobicContact CD1-CD1 4.12Å; Y73-L77 HydrophobicContact CE1-CD1 3.5Å; Y73-L77 HydrophobicContact CE1-CG 4.47Å; Y73-L77 HydrophobicContact CE2-CD1 3.96Å; Y73-L77 HydrophobicContact CE2-CG 4.34Å; Y73-L77 VanDerWaalsContact CZ-CD1 3.42Å; Y73-L77 WeakPolarHBondContact O-CG 3.47Å; Y73-L77 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 3.36Å; L77-N79 PolarHBondContact O-N 3Å; L77-N79 VanDerWaalsContact O-N 3.07Å; L77-S80 PolarHBondContact O-N 2.89Å; L77-F81 HydrophobicContact CB-CD2 4.33Å; L77-F81 HydrophobicContact CB-CE2 4.41Å; L77-F81 HydrophobicContact CD2-CD2 4.44Å; L77-F81 HydrophobicContact CD2-CE2 3.68Å; L77-F81 VanDerWaalsContact O-CD2 3.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.4Å; L77-F81 PolarHBondContact O-N 3.32Å; L77-F81 VanDerWaalsContact O-N 3.13Å; L77-L124 HydrophobicContact CD2-CD2 4.47Å
78S93.1Very high92.8Very high2 Ų242.9 Ų42.91%0.01424%0.24CC..Hα-helixtrans-58.1-29-178.2-173.20000113.1K32 V35 I74 N75K32-S78 PolarHBondContact NZ-O 2.76Å; V35-S78 VanDerWaalsContact CG2-CB 3.46Å; V35-S78 WeakPolarHBondContact CG2-OG 3.46Å; I74-S78 VanDerWaalsContact O-CB 3.32Å; I74-S78 WeakPolarHBondContact O-CB 3.45Å; I74-S78 PolarHBondContact O-N 3.38Å; N75-S78 PolarHBondContact O-N 3.48Å
79N92.6Very high93Very high85 Ų8538.6 Ų38.646%0.45522%0.224SC..Hα-helixtrans-84.7-20.2175.7-68.4-31.1000113.6N75 G76 L77 R213N75-N79 WeakPolarHBondContact O-CB 3.48Å; N75-N79 VanDerWaalsContact O-CG 3.23Å; N75-N79 PolarHBondContact O-N 2.84Å; N75-N79 PolarHBondContact O-ND2 3.14Å; N75-N79 VanDerWaalsContact O-ND2 3.08Å; G76-N79 PolarHBondContact O-N 3.43Å; L77-N79 PolarHBondContact O-N 3Å; L77-N79 VanDerWaalsContact O-N 3.07Å; N79-R213 PolarHBondContact OD1-NH1 3.32Å; N79-R213 PolarHBondContact OD1-NH2 2.91Å
80S92.6Very high93.2Very high70 Ų7040.3 Ų40.349%0.4923%0.229SC..Hα-helixtrans-87.5-27.7-177.1-58.40000113.5G76 L77G76-S80 WeakPolarHBondContact O-CB 3.48Å; G76-S80 PolarHBondContact O-N 3.37Å; G76-S80 PolarHBondContact O-OG 3.35Å; L77-S80 PolarHBondContact O-N 2.89Å
81F93.1Very high93.4Very high9 Ų940 Ų404%0.03923%0.227CC..  trans-110.8139.7-177.1-62.3-84.7000111.5I29 K32 L77 D85 V87 L124 I126I29-F81 HydrophobicContact CD1-CB 3.96Å; I29-F81 HydrophobicContact CD1-CD1 4.47Å; K32-F81 PolarHBondContact NZ-O 3Å; L77-F81 HydrophobicContact CB-CD2 4.33Å; L77-F81 HydrophobicContact CB-CE2 4.41Å; L77-F81 HydrophobicContact CD2-CD2 4.44Å; L77-F81 HydrophobicContact CD2-CE2 3.68Å; L77-F81 VanDerWaalsContact O-CD2 3.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.4Å; L77-F81 PolarHBondContact O-N 3.32Å; L77-F81 VanDerWaalsContact O-N 3.13Å; F81-D85 WeakPolarHBondContact CA-OD2 3.44Å; F81-V87 HydrophobicContact CD1-CG1 3.46Å; F81-V87 VanDerWaalsContact CD1-CG1 3.46Å; F81-V87 HydrophobicContact CE1-CG1 3.7Å; F81-L124 HydrophobicContact CD1-CD2 4.38Å; F81-L124 HydrophobicContact CD2-CD2 3.77Å; F81-L124 HydrophobicContact CE1-CD2 4.05Å; F81-L124 HydrophobicContact CE1-CG 3.86Å; F81-L124 HydrophobicContact CE2-CD2 3.49Å; F81-L124 VanDerWaalsContact CE2-CD2 3.49Å; F81-L124 HydrophobicContact CE2-CG 3.88Å; F81-L124 HydrophobicContact CG-CD2 4.25Å; F81-L124 HydrophobicContact CZ-CB 4.32Å; F81-L124 HydrophobicContact CZ-CD2 3.63Å; F81-L124 HydrophobicContact CZ-CG 3.49Å; F81-L124 VanDerWaalsContact CZ-CG 3.49Å; F81-I126 HydrophobicContact CD1-CD1 4.3Å; F81-I126 HydrophobicContact CD1-CG1 3.72Å; F81-I126 HydrophobicContact CE1-CB 4.48Å; F81-I126 HydrophobicContact CE1-CD1 4.28Å; F81-I126 HydrophobicContact CE1-CG1 3.37Å; F81-I126 HydrophobicContact CZ-CG1 4.2Å
82R90.9Very high93.7Very high150 Ų15036.3 Ų36.357%0.56621%0.208SC*.  trans-129.1162179.6-60.7-174.7-177.7-153.11.4111G84 D85R82-G84 PolarHBondContact O-N 2.99Å; R82-D85 PolarHBondContact N-OD2 2.85Å; R82-D85 WeakPolarHBondContact O-CB 3.26Å; R82-D85 PolarHBondContact O-N 3.34Å; R82-D85 VanDerWaalsContact O-N 3.13Å
83I91.9Very high93.9Very high43 Ų4339.2 Ų39.222%0.22121%0.211CC..THydrogen-bonded Turntrans-59.2130.7166.9-61172.3000107.9I29 K32 L218I29-I83 HydrophobicContact CG2-CG1 4.29Å; K32-I83 HydrophobicContact CB-CD1 4.35Å; K32-I83 HydrophobicContact CB-CG1 3.95Å; I83-L218 HydrophobicContact CD1-CD2 4.22Å
84G90.9Very high94.1Very high20 Ų2037.5 Ų37.521%0.20621%0.205CC..THydrogen-bonded Turntrans100.8-16.8-173.300000115.1V28 I29 R82 L137V28-G84 WeakPolarHBondContact CG2-O 3.45Å; I29-G84 PolarHBondContact O-N 3.43Å; R82-G84 PolarHBondContact O-N 2.99Å; G84-L137 WeakPolarHBondContact O-CD2 3.26Å
85D93.3Very high94Very high42 Ų4238.4 Ų38.423%0.22521%0.213CC..  trans-72.7135178.4-69.2-21.7000111.2V28 I29 F81 R82 V87V28-D85 WeakPolarHBondContact CA-O 3.45Å; I29-D85 HydrophobicContact CD1-CB 4.38Å; I29-D85 PolarHBondContact N-O 2.81Å; F81-D85 WeakPolarHBondContact CA-OD2 3.44Å; R82-D85 PolarHBondContact N-OD2 2.85Å; R82-D85 WeakPolarHBondContact O-CB 3.26Å; R82-D85 PolarHBondContact O-N 3.34Å; R82-D85 VanDerWaalsContact O-N 3.13Å; D85-V87 HydrophobicContact CB-CG1 4.34Å
86C95.9Very high94Very high5 Ų540.6 Ų40.63%0.03423%0.228CC..EExtended strand (participates in β ladder)trans-83.8118.3169.3-67.50000109S127 M133 L136C86-S127 PolarHBondContact O-N 2.99Å; C86-M133 HydrophobicContact CB-CG 4.15Å; C86-L136 HydrophobicContact CB-CD1 4.23Å
87V96.4Very high93.7Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-116.6150.5-174.1-61.90000112.4A26 G27 I29 F53 I55 F81 D85 I89 L124 S125A26-V87 WeakPolarHBondContact CA-O 3.35Å; A26-V87 WeakPolarHBondContact CB-O 3.45Å; G27-V87 PolarHBondContact N-O 3.26Å; G27-V87 VanDerWaalsContact N-O 3.17Å; G27-V87 PolarHBondContact O-N 3.06Å; I29-V87 HydrophobicContact CD1-CG1 3.71Å; I29-V87 HydrophobicContact CD1-CG2 4.49Å; I29-V87 HydrophobicContact CG1-CG1 4.06Å; I29-V87 HydrophobicContact CG1-CG2 4.11Å; F53-V87 HydrophobicContact CE2-CG2 4.35Å; I55-V87 HydrophobicContact CG2-CG2 3.88Å; F81-V87 HydrophobicContact CD1-CG1 3.46Å; F81-V87 VanDerWaalsContact CD1-CG1 3.46Å; F81-V87 HydrophobicContact CE1-CG1 3.7Å; D85-V87 HydrophobicContact CB-CG1 4.34Å; V87-I89 HydrophobicContact CG2-CG1 4.42Å; V87-L124 HydrophobicContact CB-CD1 4.15Å; V87-L124 HydrophobicContact CG2-CD1 4.46Å; V87-S125 CarbonylContact C-O 3.46Å; V87-S125 WeakPolarHBondContact CA-O 3.47Å
88I96.6Very high93.3Very high18 Ų1841.3 Ų41.39%0.09222%0.223CC..EExtended strand (participates in β ladder)trans-115.3125.6170.4-61.6167.7000107.8F10 R24 A26 E90 S125 M132F10-I88 HydrophobicContact CE1-CD1 4.17Å; F10-I88 HydrophobicContact CE1-CG1 3.95Å; F10-I88 HydrophobicContact CE1-CG2 3.9Å; F10-I88 HydrophobicContact CZ-CD1 4Å; F10-I88 HydrophobicContact CZ-CG1 4.2Å; R24-I88 HydrophobicContact CG-CG2 4.25Å; A26-I88 HydrophobicContact CB-CG1 4.1Å; I88-E90 HydrophobicContact CG2-CG 3.93Å; I88-S125 PolarHBondContact N-O 2.92Å; I88-S125 PolarHBondContact O-N 2.8Å; I88-M132 HydrophobicContact CD1-SD 4.42Å; I88-M132 HydrophobicContact CG1-CE 4.44Å; I88-M132 HydrophobicContact CG1-SD 4.39Å
89I96.6Very high92.6Very high0 Ų044.7 Ų44.70%025%0.245CC..EExtended strand (participates in β ladder)trans-113.6113.9178.6-40.8-170.6000108R24 V25 F53 I55 V65 V87 P92 L115 V117 L124R24-I89 WeakPolarHBondContact CA-O 3.38Å; V25-I89 PolarHBondContact N-O 3.41Å; V25-I89 PolarHBondContact O-N 2.83Å; F53-I89 HydrophobicContact CE2-CD1 4.07Å; F53-I89 HydrophobicContact CZ-CD1 4.3Å; I55-I89 HydrophobicContact CD1-CD1 3.9Å; V65-I89 HydrophobicContact CB-CD1 4.49Å; V65-I89 HydrophobicContact CG1-CD1 3.91Å; V65-I89 HydrophobicContact CG2-CD1 3.82Å; V87-I89 HydrophobicContact CG2-CG1 4.42Å; I89-P92 HydrophobicContact CB-CG 4.48Å; I89-P92 HydrophobicContact CG2-CB 3.82Å; I89-P92 HydrophobicContact CG2-CG 3.92Å; I89-L115 HydrophobicContact CD1-CD1 4.17Å; I89-V117 HydrophobicContact CG2-CG2 3.63Å; I89-L124 HydrophobicContact CB-CD1 4.42Å; I89-L124 HydrophobicContact CD1-CD1 4.24Å; I89-L124 HydrophobicContact CG1-CD1 3.67Å
90E95.9Very high91.8Very high44 Ų4447.8 Ų47.821%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-104.1133.7179.7-45.7-167.1138.700109.7R24 I88 S122 Q123R24-E90 HydrophobicContact CG-CG 4.13Å; R24-E90 IonicContact CZ-OE1 2.62Å; R24-E90 IonicContact NE-OE1 3.68Å; R24-E90 PolarHBondContact NE-OE1 3.31Å; R24-E90 IonicContact NH2-OE1 2.69Å; R24-E90 PolarHBondContact NH2-OE1 3.41Å; I88-E90 HydrophobicContact CG2-CG 3.93Å; E90-S122 VanDerWaalsContact O-CA 3.31Å; E90-S122 WeakPolarHBondContact O-CA 3.46Å; E90-Q123 HydrophobicContact CB-CB 4.24Å; E90-Q123 PolarHBondContact N-O 3.45Å; E90-Q123 PolarHBondContact O-N 3.41Å; E90-Q123 PolarHBondContact OE2-OE1 3.48Å
91N94.8Very high91Very high65 Ų6551 Ų5135%0.34826%0.262SS..SBendtrans51.345-179-53.9-43.7000114.2H22 P23 H121 S122H22-N91 WeakPolarHBondContact CA-OD1 3.35Å; H22-N91 WeakPolarHBondContact CB-OD1 3.43Å; H22-N91 PolarHBondContact CD2-OD1 2.98Å; P23-N91 PolarHBondContact O-N 2.98Å; N91-H121 VanDerWaalsContact CB-O 3.3Å; N91-H121 WeakPolarHBondContact CB-O 3.43Å; N91-S122 PolarHBondContact O-OG 3.32Å
92P95.9Very high89.9Confident5 Ų552.1 Ų52.13%0.03227%0.267CS..  trans-66146.8166.330.2-33.5000110.2P23 V25 I89 V94 L115 V117P23-P92 HydrophobicContact CB-CG 4.47Å; P23-P92 HydrophobicContact CG-CG 4.03Å; P23-P92 WeakPolarHBondContact CG-O 3.47Å; P23-P92 VanDerWaalsContact O-CD 3.27Å; P23-P92 WeakPolarHBondContact O-CD 3.35Å; V25-P92 HydrophobicContact CG2-CG 4.37Å; I89-P92 HydrophobicContact CB-CG 4.48Å; I89-P92 HydrophobicContact CG2-CB 3.82Å; I89-P92 HydrophobicContact CG2-CG 3.92Å; P92-V94 PolarHBondContact O-N 3.49Å; P92-L115 HydrophobicContact CB-CB 4.01Å; P92-L115 HydrophobicContact CB-CD1 4.46Å; P92-L115 HydrophobicContact CB-CD2 4.06Å; P92-L115 HydrophobicContact CB-CG 4.39Å; P92-L115 HydrophobicContact CG-CD1 4.24Å; P92-L115 HydrophobicContact CG-CD2 3.95Å; P92-L115 HydrophobicContact CG-CG 4.5Å; P92-V117 HydrophobicContact CB-CG2 4.41Å
93L95.4Very high89.2Confident113 Ų11346.8 Ų46.859%0.59225%0.25SS*.EExtended strand (participates in β ladder)trans-76.9116.2167.1169.967000108.8A95 L116L93-A95 PolarHBondContact O-N 3.29Å; L93-L116 HydrophobicContact CB-CB 4.09Å; L93-L116 HydrophobicContact CD2-CB 4.43Å; L93-L116 HydrophobicContact CD2-CD1 3.95Å; L93-L116 HydrophobicContact CG-CB 4.47Å; L93-L116 HydrophobicContact CG-CD1 4.43Å; L93-L116 PolarHBondContact N-O 3.41Å; L93-L116 PolarHBondContact O-N 3.49Å
94V95.6Very high88.4Confident10 Ų1052.2 Ų52.26%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-82.5113.6175.7-174.30000108.6L16 P23 P92 Y113 L115L16-V94 HydrophobicContact CB-CG1 4.4Å; L16-V94 HydrophobicContact CD2-CG2 4.01Å; P23-V94 HydrophobicContact CG-CG2 3.96Å; P92-V94 PolarHBondContact O-N 3.49Å; V94-Y113 HydrophobicContact CG1-CD1 4.48Å; V94-Y113 HydrophobicContact CG1-CG 4.1Å; V94-L115 HydrophobicContact CG2-CD2 3.87Å
95A93.2Very high87.7Confident20 Ų2058 Ų5817%0.16529%0.287CS..EExtended strand (participates in β ladder)trans-116.9145.4-178.400000111.1L93 K97 Y113 R114 L116L93-A95 PolarHBondContact O-N 3.29Å; A95-K97 PolarHBondContact O-N 2.9Å; A95-Y113 CarbonylContact O-C 3.56Å; A95-Y113 VanDerWaalsContact O-CA 3.26Å; A95-Y113 WeakPolarHBondContact O-CA 3.31Å; A95-R114 HydrophobicContact CB-CG 4.11Å; A95-R114 PolarHBondContact N-O 3.02Å; A95-R114 PolarHBondContact O-N 3.02Å; A95-L116 HydrophobicContact CB-CD1 3.9Å; A95-L116 HydrophobicContact CB-CG 4.3Å
96T91.9Very high87.3Confident95 Ų9557.2 Ų57.258%0.58329%0.285SS*.EExtended strand (participates in β ladder)trans-64.5133.6172.1-45.60000110.5
97K88.3Confident87Confident20 Ų2057.4 Ų57.49%0.08729%0.286CS..  trans-80135.1175.7-176.4-178.6176.2-175.70109.5A95 P99 D103 T109 F112A95-K97 PolarHBondContact O-N 2.9Å; K97-P99 WeakPolarHBondContact O-CD 3.16Å; K97-D103 WeakPolarHBondContact CE-OD1 3.31Å; K97-D103 IonicContact NZ-OD1 3.9Å; K97-D103 PolarHBondContact NZ-OD1 3.15Å; K97-D103 IonicContact NZ-OD2 2.7Å; K97-T109 PolarHBondContact NZ-OG1 2.8Å; K97-F112 WeakPolarHBondContact CB-O 3.21Å; K97-F112 PolarHBondContact N-O 2.88Å
98D85.3Confident86.7Confident52 Ų5259.8 Ų59.828%0.27830%0.303SS..  trans-101.699.9167.3179.9-12.4000108E100 K101 E102D98-E100 PolarHBondContact O-N 3.41Å; D98-E100 PolarHBondContact OD1-N 2.81Å; D98-K101 HydrophobicContact CB-CB 4.47Å; D98-K101 PolarHBondContact O-N 3.3Å; D98-K101 WeakPolarHBondContact OD2-CD 3.43Å; D98-K101 WeakPolarHBondContact OD2-CG 3.23Å; D98-K101 IonicContact OD2-NZ 2.76Å; D98-K101 PolarHBondContact OD2-NZ 3.25Å; D98-E102 WeakPolarHBondContact O-CB 3.48Å; D98-E102 WeakPolarHBondContact O-CG 3.07Å; D98-E102 PolarHBondContact O-N 3.26Å
99P77.8Confident86.5Confident73 Ų7359.5 Ų59.547%0.47430%0.302SS..Hα-helixtrans-59.6-35.6-173-22.233000112.7K97 K101 D103K97-P99 WeakPolarHBondContact O-CD 3.16Å; P99-K101 VanDerWaalsContact C-N 3.3Å; P99-K101 PolarHBondContact O-N 3.36Å; P99-D103 WeakPolarHBondContact O-CB 3.47Å; P99-D103 PolarHBondContact O-N 3.21Å
100E76.4Confident86.3Confident150 Ų15062.2 Ų62.270%0.70132%0.32SS*.Hα-helixtrans-67.8-31-176.3-66.5-168.4167.700112.8D98 R104D98-E100 PolarHBondContact O-N 3.41Å; D98-E100 PolarHBondContact OD1-N 2.81Å; E100-R104 PolarHBondContact O-NE 3.38Å; E100-R104 PolarHBondContact O-NH2 3.36Å
101K75.1Confident85.9Confident137 Ų13760.6 Ų60.660%0.59631%0.313SS*.Hα-helixtrans-93.2-38.3179.7-65-164.9-171.392.50112.5D98 P99 F105D98-K101 HydrophobicContact CB-CB 4.47Å; D98-K101 PolarHBondContact O-N 3.3Å; D98-K101 WeakPolarHBondContact OD2-CD 3.43Å; D98-K101 WeakPolarHBondContact OD2-CG 3.23Å; D98-K101 IonicContact OD2-NZ 2.76Å; D98-K101 PolarHBondContact OD2-NZ 3.25Å; P99-K101 VanDerWaalsContact C-N 3.3Å; P99-K101 PolarHBondContact O-N 3.36Å; K101-F105 WeakPolarHBondContact O-CD2 3.49Å
102E70.7Confident85.7Confident32 Ų3265 Ų6515%0.1533%0.33CS..Hα-helixtrans-91.6-40.5-166-63.2-171.3173.200113.3D98 R104 F105 C106 R114D98-E102 WeakPolarHBondContact O-CB 3.48Å; D98-E102 WeakPolarHBondContact O-CG 3.07Å; D98-E102 PolarHBondContact O-N 3.26Å; E102-R104 PolarHBondContact O-N 2.78Å; E102-F105 PolarHBondContact O-N 2.62Å; E102-C106 PolarHBondContact O-N 2.88Å; E102-C106 PolarHBondContact O-SG 2.84Å; E102-R114 VanDerWaalsContact CD-NH1 3.32Å; E102-R114 IonicContact OE1-CZ 2.74Å; E102-R114 IonicContact OE1-NE 3.47Å; E102-R114 IonicContact OE1-NH1 2.74Å; E102-R114 PolarHBondContact OE1-NH1 3.43Å; E102-R114 IonicContact OE1-NH2 3.73Å; E102-R114 PolarHBondContact OE1-NH2 2.99Å; E102-R114 VanDerWaalsContact OE1-NH2 3.09Å; E102-R114 WeakPolarHBondContact OE2-CD 3.33Å; E102-R114 IonicContact OE2-CZ 3.09Å; E102-R114 IonicContact OE2-NE 3.5Å; E102-R114 IonicContact OE2-NH1 2.67Å
103D75.8Confident85.6Confident38 Ų3867 Ų6720%0.20334%0.337CS..THydrogen-bonded Turntrans-65.3-4.9178.1-73.22000112.3K97 P99 S108 K252K97-D103 WeakPolarHBondContact CE-OD1 3.31Å; K97-D103 IonicContact NZ-OD1 3.9Å; K97-D103 PolarHBondContact NZ-OD1 3.15Å; K97-D103 IonicContact NZ-OD2 2.7Å; P99-D103 WeakPolarHBondContact O-CB 3.47Å; P99-D103 PolarHBondContact O-N 3.21Å; D103-S108 WeakPolarHBondContact OD2-CB 3.43Å; D103-S108 PolarHBondContact OD2-OG 3.36Å; D103-K252 WeakPolarHBondContact O-CD 3.32Å; D103-K252 WeakPolarHBondContact O-CE 3.5Å; D103-K252 PolarHBondContact O-NZ 3.33Å
104R75.6Confident85.5Confident158 Ų15864.5 Ų64.560%0.59632%0.32SS*.THydrogen-bonded Turntrans-71.9-27.4169-63-171.7-167.1-168.82.7113.2E100 E102 K252E100-R104 PolarHBondContact O-NE 3.38Å; E100-R104 PolarHBondContact O-NH2 3.36Å; E102-R104 PolarHBondContact O-N 2.78Å; R104-K252 VanDerWaalsContact C-CE 3.42Å; R104-K252 WeakPolarHBondContact O-CE 3.38Å
105F75.8Confident85.6Confident140 Ų14064 Ų6461%0.61432%0.317SS*.THydrogen-bonded Turntrans-128.9-4.9-167.8-55.6-69.7000114.7K101 E102 S251K101-F105 WeakPolarHBondContact O-CD2 3.49Å; E102-F105 PolarHBondContact O-N 2.62Å; F105-S251 WeakPolarHBondContact O-CB 3.48Å; F105-S251 PolarHBondContact O-OG 3.03Å; F105-S251 VanDerWaalsContact O-OG 3.1Å
106C84.5Confident85.6Confident27 Ų2764.6 Ų64.618%0.18232%0.317CS..SBendtrans-140.5167.517659.80000111N64 E102N64-C106 PolarHBondContact ND2-SG 3.46Å; N64-C106 VanDerWaalsContact ND2-SG 3.38Å; E102-C106 PolarHBondContact O-N 2.88Å; E102-C106 PolarHBondContact O-SG 2.84Å
107P89Confident85.8Confident8 Ų860.1 Ų60.15%0.05229%0.29CS..  trans-59.4141.2176.3-22.734.8000111N64 S251 I254N64-P107 PolarHBondContact ND2-O 3.33Å; P107-S251 WeakPolarHBondContact CD-O 3.32Å; P107-I254 HydrophobicContact CB-CD1 3.61Å; P107-I254 HydrophobicContact CB-CG1 4.07Å; P107-I254 HydrophobicContact CG-CD1 3.81Å; P107-I254 HydrophobicContact CG-CG1 3.89Å
108S90.3Very high85.9Confident50 Ų5061 Ų6135%0.3530%0.298SS..  trans-71.2138.2172.2-165.60000109.4F62 D103F62-S108 VanDerWaalsContact CE2-O 3.3Å; F62-S108 WeakPolarHBondContact CE2-O 3.28Å; D103-S108 WeakPolarHBondContact OD2-CB 3.43Å; D103-S108 PolarHBondContact OD2-OG 3.36Å
109T92.6Very high86Confident13 Ų1363.3 Ų63.38%0.0831%0.307CS..  trans-128.3145.8-171.456.10000109.9T54 F62 N64 K97 S111T54-T109 HydrophobicContact CG2-CG2 4.42Å; F62-T109 HydrophobicContact CD2-CG2 3.79Å; F62-T109 HydrophobicContact CE2-CG2 3.88Å; N64-T109 HydrophobicContact CB-CG2 4.41Å; N64-T109 VanDerWaalsContact CG-CG2 3.49Å; N64-T109 WeakPolarHBondContact ND2-CG2 3.37Å; N64-T109 WeakPolarHBondContact OD1-CG2 3.37Å; K97-T109 PolarHBondContact NZ-OG1 2.8Å; T109-S111 PolarHBondContact O-N 2.65Å; T109-S111 PolarHBondContact OG1-O 3.23Å
110P91.7Very high86.4Confident56 Ų5663.7 Ų63.736%0.36432%0.317SS..SBendtrans-68.2-24.1177.727-35000112.5D60 F62D60-P110 WeakPolarHBondContact O-CG 3.41Å; F62-P110 HydrophobicContact CD1-CG 3.79Å; F62-P110 HydrophobicContact CE1-CG 3.72Å; F62-P110 HydrophobicContact CG-CG 4.33Å; F62-P110 HydrophobicContact CZ-CG 4.22Å
111S89.1Confident87Confident11 Ų1163.4 Ų63.48%0.07732%0.315CS..  trans-71.5135.8175-171.90000112T109 Y113T109-S111 PolarHBondContact O-N 2.65Å; T109-S111 PolarHBondContact OG1-O 3.23Å; S111-Y113 PolarHBondContact O-N 2.91Å; S111-Y113 PolarHBondContact OG-N 3.11Å; S111-Y113 VanDerWaalsContact OG-N 3.14Å; S111-Y113 PolarHBondContact OG-O 3.39Å
112F90.4Very high87.9Confident157 Ų15757.5 Ų57.569%0.68929%0.291SS*.SBendtrans-75.7-0.8168.5-62.7-71000113.3K97K97-F112 WeakPolarHBondContact CB-O 3.21Å; K97-F112 PolarHBondContact N-O 2.88Å
113Y93.6Very high88.9Confident47 Ų4761.5 Ų61.518%0.18431%0.31CS..EExtended strand (participates in β ladder)trans-119.8166.8-178.1-51.3-61.5000110.7L16 H17 P18 I63 V94 A95 S111L16-Y113 WeakPolarHBondContact O-CD2 3.37Å; L16-Y113 WeakPolarHBondContact O-CE2 3.5Å; H17-Y113 AromaticContact CD2-CZ 3.89Å; H17-Y113 PolarHBondContact CD2-OH 2.76Å; P18-Y113 HydrophobicContact CG-CD1 3.95Å; P18-Y113 HydrophobicContact CG-CE1 3.73Å; I63-Y113 WeakPolarHBondContact CD1-O 3.48Å; I63-Y113 VanDerWaalsContact CG1-O 3.28Å; I63-Y113 WeakPolarHBondContact CG1-O 3.16Å; V94-Y113 HydrophobicContact CG1-CD1 4.48Å; V94-Y113 HydrophobicContact CG1-CG 4.1Å; A95-Y113 CarbonylContact O-C 3.56Å; A95-Y113 VanDerWaalsContact O-CA 3.26Å; A95-Y113 WeakPolarHBondContact O-CA 3.31Å; S111-Y113 PolarHBondContact O-N 2.91Å; S111-Y113 PolarHBondContact OG-N 3.11Å; S111-Y113 VanDerWaalsContact OG-N 3.14Å; S111-Y113 PolarHBondContact OG-O 3.39Å
114R94Very high89.8Confident61 Ų6160.7 Ų60.723%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-136.7160169.463.4170.4-178-174.4-10109.8A95 E102A95-R114 HydrophobicContact CB-CG 4.11Å; A95-R114 PolarHBondContact N-O 3.02Å; A95-R114 PolarHBondContact O-N 3.02Å; E102-R114 VanDerWaalsContact CD-NH1 3.32Å; E102-R114 IonicContact OE1-CZ 2.74Å; E102-R114 IonicContact OE1-NE 3.47Å; E102-R114 IonicContact OE1-NH1 2.74Å; E102-R114 PolarHBondContact OE1-NH1 3.43Å; E102-R114 IonicContact OE1-NH2 3.73Å; E102-R114 PolarHBondContact OE1-NH2 2.99Å; E102-R114 VanDerWaalsContact OE1-NH2 3.09Å; E102-R114 WeakPolarHBondContact OE2-CD 3.33Å; E102-R114 IonicContact OE2-CZ 3.09Å; E102-R114 IonicContact OE2-NE 3.5Å; E102-R114 IonicContact OE2-NH1 2.67Å
115L95.9Very high90.7Very high0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-101.9129.3176.1-58.8-177000110.1L16 V25 I55 I63 N64 V65 S66 I89 P92 V94L16-L115 HydrophobicContact CD1-CD2 3.95Å; V25-L115 HydrophobicContact CB-CD1 4.22Å; V25-L115 HydrophobicContact CG1-CD1 4.17Å; V25-L115 HydrophobicContact CG2-CD1 4.2Å; I55-L115 HydrophobicContact CD1-CD1 4.31Å; I63-L115 HydrophobicContact CD1-CD2 4.33Å; I63-L115 HydrophobicContact CD1-CG 4.05Å; I63-L115 HydrophobicContact CG2-CD1 4.16Å; I63-L115 HydrophobicContact CG2-CG 4.39Å; N64-L115 PolarHBondContact O-N 3.38Å; V65-L115 CarbonylContact C-O 3.53Å; V65-L115 WeakPolarHBondContact CA-O 3.17Å; V65-L115 HydrophobicContact CB-CB 4.42Å; V65-L115 HydrophobicContact CG1-CB 4.14Å; V65-L115 HydrophobicContact CG2-CB 4.14Å; V65-L115 HydrophobicContact CG2-CD1 4.19Å; S66-L115 PolarHBondContact N-O 3.07Å; I89-L115 HydrophobicContact CD1-CD1 4.17Å; P92-L115 HydrophobicContact CB-CB 4.01Å; P92-L115 HydrophobicContact CB-CD1 4.46Å; P92-L115 HydrophobicContact CB-CD2 4.06Å; P92-L115 HydrophobicContact CB-CG 4.39Å; P92-L115 HydrophobicContact CG-CD1 4.24Å; P92-L115 HydrophobicContact CG-CD2 3.95Å; P92-L115 HydrophobicContact CG-CG 4.5Å; V94-L115 HydrophobicContact CG2-CD2 3.87Å
116L94.9Very high91.6Very high32 Ų3252.5 Ų52.517%0.16828%0.282CS..EExtended strand (participates in β ladder)trans-108120.5172.1-60.6178.1000108.7S66 L93 A95S66-L116 WeakPolarHBondContact O-CA 3.36Å; L93-L116 HydrophobicContact CB-CB 4.09Å; L93-L116 HydrophobicContact CD2-CB 4.43Å; L93-L116 HydrophobicContact CD2-CD1 3.95Å; L93-L116 HydrophobicContact CG-CB 4.47Å; L93-L116 HydrophobicContact CG-CD1 4.43Å; L93-L116 PolarHBondContact N-O 3.41Å; L93-L116 PolarHBondContact O-N 3.49Å; A95-L116 HydrophobicContact CB-CD1 3.9Å; A95-L116 HydrophobicContact CB-CG 4.3Å
117V95.1Very high91.8Very high1 Ų151.5 Ų51.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-108.1128.3179.3177.40000108.2V65 S66 L67 W68 I89 P92V65-V117 HydrophobicContact CG1-CG2 3.65Å; S66-V117 PolarHBondContact O-N 3.22Å; L67-V117 WeakPolarHBondContact CA-O 3.43Å; L67-V117 HydrophobicContact CD2-CB 4.24Å; L67-V117 HydrophobicContact CD2-CG1 4.06Å; L67-V117 HydrophobicContact CG-CB 4.03Å; L67-V117 HydrophobicContact CG-CG1 4.39Å; W68-V117 PolarHBondContact N-O 2.86Å; I89-V117 HydrophobicContact CG2-CG2 3.63Å; P92-V117 HydrophobicContact CB-CG2 4.41Å
118S91.2Very high91.7Very high37 Ų3756.4 Ų56.426%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-131.7147178.569.30000111.1A120 H121 S122S118-A120 PolarHBondContact O-N 2.87Å; S118-H121 PolarHBondContact O-N 2.66Å; S118-S122 PolarHBondContact N-OG 3.46Å; S118-S122 WeakPolarHBondContact O-CB 3Å; S118-S122 PolarHBondContact O-N 2.85Å
119E86.8Confident91.7Very high101 Ų10155.7 Ų55.747%0.47230%0.302SS..THydrogen-bonded Turntrans-54.1-35.5-179.5-175.2176.2-171.300113.5N70 Y73N70-E119 PolarHBondContact ND2-OE1 3.29Å; N70-E119 PolarHBondContact ND2-OE2 2.85Å; Y73-E119 HydrophobicContact CD1-CB 4.02Å; Y73-E119 HydrophobicContact CD1-CG 4.44Å; Y73-E119 HydrophobicContact CD2-CB 4.18Å; Y73-E119 HydrophobicContact CD2-CG 3.81Å; Y73-E119 HydrophobicContact CE1-CB 3.87Å; Y73-E119 HydrophobicContact CE2-CB 4.03Å; Y73-E119 HydrophobicContact CE2-CG 3.93Å; Y73-E119 HydrophobicContact CG-CB 4.16Å; Y73-E119 HydrophobicContact CG-CG 4.07Å
120A86.8Confident91.5Very high82 Ų8260.5 Ų60.568%0.67833%0.326SS*.THydrogen-bonded Turntrans-82.2-20.7-174.400000114.5S118S118-A120 PolarHBondContact O-N 2.87Å
121H88.3Confident91.4Very high143 Ų14365.6 Ų65.666%0.66235%0.345SS*.THydrogen-bonded Turntrans-132.7-15-165.8-58-55.1000114.6N91 S118N91-H121 VanDerWaalsContact CB-O 3.3Å; N91-H121 WeakPolarHBondContact CB-O 3.43Å; S118-H121 PolarHBondContact O-N 2.66Å
122S94Very high91.4Very high13 Ų1365.6 Ų65.69%0.09134%0.344CS..  trans-128148-172.3-49.60000110.8E90 N91 S118E90-S122 VanDerWaalsContact O-CA 3.31Å; E90-S122 WeakPolarHBondContact O-CA 3.46Å; N91-S122 PolarHBondContact O-OG 3.32Å; S118-S122 PolarHBondContact N-OG 3.46Å; S118-S122 WeakPolarHBondContact O-CB 3Å; S118-S122 PolarHBondContact O-N 2.85Å
123Q92.8Very high91.3Very high117 Ų11760.6 Ų60.655%0.54732%0.323SS..EExtended strand (participates in β ladder)trans-119.5134.7175-171.4169.71.100109.7E90E90-Q123 HydrophobicContact CB-CB 4.24Å; E90-Q123 PolarHBondContact N-O 3.45Å; E90-Q123 PolarHBondContact O-N 3.41Å; E90-Q123 PolarHBondContact OE2-OE1 3.48Å
124L94.8Very high91Very high20 Ų2063.7 Ų63.711%0.10534%0.343CS..EExtended strand (participates in β ladder)trans-119.7131.8176.3-176.267.9000109F53 L67 L77 F81 V87 I89F53-L124 HydrophobicContact CE1-CD2 3.9Å; F53-L124 HydrophobicContact CZ-CD1 4.02Å; F53-L124 HydrophobicContact CZ-CD2 3.9Å; L67-L124 HydrophobicContact CD2-CD2 3.85Å; L77-L124 HydrophobicContact CD2-CD2 4.47Å; F81-L124 HydrophobicContact CD1-CD2 4.38Å; F81-L124 HydrophobicContact CD2-CD2 3.77Å; F81-L124 HydrophobicContact CE1-CD2 4.05Å; F81-L124 HydrophobicContact CE1-CG 3.86Å; F81-L124 HydrophobicContact CE2-CD2 3.49Å; F81-L124 VanDerWaalsContact CE2-CD2 3.49Å; F81-L124 HydrophobicContact CE2-CG 3.88Å; F81-L124 HydrophobicContact CG-CD2 4.25Å; F81-L124 HydrophobicContact CZ-CB 4.32Å; F81-L124 HydrophobicContact CZ-CD2 3.63Å; F81-L124 HydrophobicContact CZ-CG 3.49Å; F81-L124 VanDerWaalsContact CZ-CG 3.49Å; V87-L124 HydrophobicContact CB-CD1 4.15Å; V87-L124 HydrophobicContact CG2-CD1 4.46Å; I89-L124 HydrophobicContact CB-CD1 4.42Å; I89-L124 HydrophobicContact CD1-CD1 4.24Å; I89-L124 HydrophobicContact CG1-CD1 3.67Å
125S94.1Very high91Very high39 Ų3966.9 Ų66.927%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-145.4153179.860.20000111.7V87 I88V87-S125 CarbonylContact C-O 3.46Å; V87-S125 WeakPolarHBondContact CA-O 3.47Å; I88-S125 PolarHBondContact N-O 2.92Å; I88-S125 PolarHBondContact O-N 2.8Å
126I93.5Very high90.9Very high87 Ų8766.9 Ų66.945%0.44636%0.355SS..EExtended strand (participates in β ladder)trans-80.3132.9170.5-60.2177.5000107.9F81F81-I126 HydrophobicContact CD1-CD1 4.3Å; F81-I126 HydrophobicContact CD1-CG1 3.72Å; F81-I126 HydrophobicContact CE1-CB 4.48Å; F81-I126 HydrophobicContact CE1-CD1 4.28Å; F81-I126 HydrophobicContact CE1-CG1 3.37Å; F81-I126 HydrophobicContact CZ-CG1 4.2Å
127S90.1Very high90.6Very high7 Ų768.6 Ų68.65%0.04936%0.364CS..  trans-75.9128.4174.1-170.90000110.4C86 D129 M132C86-S127 PolarHBondContact O-N 2.99Å; S127-D129 PolarHBondContact OG-N 3Å; S127-M132 PolarHBondContact OG-SD 3.43Å
128S86.9Confident90.5Very high110 Ų11072 Ų7277%0.76939%0.386SS*.  trans-99.46.2169.554.40000112.7I130S128-I130 PolarHBondContact O-N 2.81Å
129D89.9Confident90.7Very high36 Ų3670.8 Ų70.819%0.19338%0.376CS..  trans-78.6112.6-178-176.5-2.4000111.5K8 S127 E131 M132 M133K8-D129 VanDerWaalsContact NZ-CG 3.33Å; K8-D129 IonicContact NZ-OD2 2.74Å; K8-D129 PolarHBondContact NZ-OD2 3.5Å; S127-D129 PolarHBondContact OG-N 3Å; D129-E131 PolarHBondContact O-N 3.03Å; D129-E131 PolarHBondContact OD1-N 3.28Å; D129-E131 VanDerWaalsContact OD1-N 3.15Å; D129-M132 HydrophobicContact CB-CB 3.89Å; D129-M132 WeakPolarHBondContact O-CB 3.23Å; D129-M132 PolarHBondContact O-N 3.1Å; D129-M133 WeakPolarHBondContact O-CG 3.47Å; D129-M133 PolarHBondContact O-N 3.49Å
130I88.5Confident90.9Very high114 Ų11468 Ų6859%0.58536%0.364SS*.Hα-helixtrans-61.3-41.6-176.7-61.2172.1000111.9S128 M132 M133 N134S128-I130 PolarHBondContact O-N 2.81Å; I130-M132 VanDerWaalsContact C-N 3.29Å; I130-M132 PolarHBondContact O-N 3.17Å; I130-M133 HydrophobicContact CB-CE 4.45Å; I130-M133 HydrophobicContact CG1-CE 4.07Å; I130-M133 PolarHBondContact O-N 2.96Å; I130-N134 WeakPolarHBondContact O-CB 3.49Å; I130-N134 VanDerWaalsContact O-CG 3.24Å; I130-N134 PolarHBondContact O-N 3.13Å; I130-N134 PolarHBondContact O-ND2 3.04Å
131E89.5Confident91.2Very high162 Ų16267.7 Ų67.776%0.75735%0.349SS*.Hα-helixtrans-64.2-40.9-178.8-68.7-179.7179.500110.8D129 R135D129-E131 PolarHBondContact O-N 3.03Å; D129-E131 PolarHBondContact OD1-N 3.28Å; D129-E131 VanDerWaalsContact OD1-N 3.15Å; E131-R135 PolarHBondContact O-N 2.68Å
132M88.9Confident91.4Very high11 Ų1163.3 Ų63.35%0.05433%0.33CS..Hα-helixtrans-67-45.2176.7-175.1-177.6-140.800112.3F10 A26 I88 S127 D129 I130 N134 R135 L136F10-M132 HydrophobicContact CD1-CE 4.28Å; F10-M132 HydrophobicContact CD2-CE 4.04Å; F10-M132 HydrophobicContact CE1-CE 3.88Å; F10-M132 HydrophobicContact CE2-CE 3.58Å; F10-M132 HydrophobicContact CE2-SD 4.38Å; F10-M132 HydrophobicContact CG-CE 4.36Å; F10-M132 HydrophobicContact CZ-CE 3.51Å; F10-M132 HydrophobicContact CZ-SD 4.19Å; A26-M132 HydrophobicContact CB-CE 2.97Å; A26-M132 HydrophobicContact CB-SD 4.35Å; I88-M132 HydrophobicContact CD1-SD 4.42Å; I88-M132 HydrophobicContact CG1-CE 4.44Å; I88-M132 HydrophobicContact CG1-SD 4.39Å; S127-M132 PolarHBondContact OG-SD 3.43Å; D129-M132 HydrophobicContact CB-CB 3.89Å; D129-M132 WeakPolarHBondContact O-CB 3.23Å; D129-M132 PolarHBondContact O-N 3.1Å; I130-M132 VanDerWaalsContact C-N 3.29Å; I130-M132 PolarHBondContact O-N 3.17Å; M132-N134 VanDerWaalsContact C-N 3.33Å; M132-N134 PolarHBondContact O-N 3.09Å; M132-R135 WeakPolarHBondContact O-CB 3.43Å; M132-R135 PolarHBondContact O-N 3.28Å; M132-R135 VanDerWaalsContact O-N 3.14Å; M132-L136 HydrophobicContact CE-CD1 4.23Å; M132-L136 HydrophobicContact CG-CD1 3.78Å; M132-L136 HydrophobicContact CG-CG 4.35Å; M132-L136 WeakPolarHBondContact O-CB 3.27Å; M132-L136 WeakPolarHBondContact O-CG 3.26Å; M132-L136 PolarHBondContact O-N 3.02Å; M132-L136 HydrophobicContact SD-CD1 4.43Å
133M87.6Confident91.5Very high53 Ų5363.6 Ų63.626%0.26133%0.332SS..Hα-helixtrans-60.7-43.2177.3-72.6-172.2-63.300111.2C86 D129 I130 R135 L136 L137C86-M133 HydrophobicContact CB-CG 4.15Å; D129-M133 WeakPolarHBondContact O-CG 3.47Å; D129-M133 PolarHBondContact O-N 3.49Å; I130-M133 HydrophobicContact CB-CE 4.45Å; I130-M133 HydrophobicContact CG1-CE 4.07Å; I130-M133 PolarHBondContact O-N 2.96Å; M133-R135 PolarHBondContact O-N 3.36Å; M133-L136 PolarHBondContact O-N 2.68Å; M133-L136 VanDerWaalsContact O-N 3.16Å; M133-L137 HydrophobicContact CB-CD1 4.08Å; M133-L137 HydrophobicContact CB-CG 4.42Å; M133-L137 WeakPolarHBondContact O-CB 3.41Å; M133-L137 VanDerWaalsContact O-CG 3.29Å; M133-L137 WeakPolarHBondContact O-CG 3.37Å; M133-L137 PolarHBondContact O-N 3.29Å
134N88.3Confident91.5Very high111 Ų11159.1 Ų59.159%0.59431%0.312SS*.Hα-helixtrans-60.6-29.8176.5-72.8-17.4000112.9I130 M132 P138I130-N134 WeakPolarHBondContact O-CB 3.49Å; I130-N134 VanDerWaalsContact O-CG 3.24Å; I130-N134 PolarHBondContact O-N 3.13Å; I130-N134 PolarHBondContact O-ND2 3.04Å; M132-N134 VanDerWaalsContact C-N 3.33Å; M132-N134 PolarHBondContact O-N 3.09Å; N134-P138 VanDerWaalsContact O-CD 3.25Å; N134-P138 WeakPolarHBondContact O-CD 3.36Å; N134-P138 WeakPolarHBondContact O-CG 3.37Å
135R93.1Very high91.6Very high129 Ų12961.1 Ų61.149%0.48732%0.32SS..Hα-helixtrans-78.6-38.7175.2-171.7-177.269.181.1-1.9112.7D57 E131 M132 M133D57-R135 PolarHBondContact O-NH1 2.94Å; E131-R135 PolarHBondContact O-N 2.68Å; M132-R135 WeakPolarHBondContact O-CB 3.43Å; M132-R135 PolarHBondContact O-N 3.28Å; M132-R135 VanDerWaalsContact O-N 3.14Å; M133-R135 PolarHBondContact O-N 3.36Å
136L93.2Very high91.5Very high0 Ų064.2 Ų64.20%033%0.333CS..Hα-helixtrans-90.3-39.8-170.3-71.2179.2000113.7V28 C86 M132 M133 P138 L139V28-L136 HydrophobicContact CB-CB 4.22Å; V28-L136 WeakPolarHBondContact CG1-O 3.41Å; C86-L136 HydrophobicContact CB-CD1 4.23Å; M132-L136 HydrophobicContact CE-CD1 4.23Å; M132-L136 HydrophobicContact CG-CD1 3.78Å; M132-L136 HydrophobicContact CG-CG 4.35Å; M132-L136 WeakPolarHBondContact O-CB 3.27Å; M132-L136 WeakPolarHBondContact O-CG 3.26Å; M132-L136 PolarHBondContact O-N 3.02Å; M132-L136 HydrophobicContact SD-CD1 4.43Å; M133-L136 PolarHBondContact O-N 2.68Å; M133-L136 VanDerWaalsContact O-N 3.16Å; L136-P138 VanDerWaalsContact C-CD 3.48Å; L136-L139 HydrophobicContact CD2-CD1 3.93Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 WeakPolarHBondContact O-CG 3.4Å; L136-L139 PolarHBondContact O-N 3.33Å
137L90.5Very high91.4Very high68 Ų6861.7 Ų61.736%0.35632%0.323SS..G310 helixtrans-57.9-40.2-176.2-70.9173.3000113.8G84 M133 L139 L140G84-L137 WeakPolarHBondContact O-CD2 3.26Å; M133-L137 HydrophobicContact CB-CD1 4.08Å; M133-L137 HydrophobicContact CB-CG 4.42Å; M133-L137 WeakPolarHBondContact O-CB 3.41Å; M133-L137 VanDerWaalsContact O-CG 3.29Å; M133-L137 WeakPolarHBondContact O-CG 3.37Å; M133-L137 PolarHBondContact O-N 3.29Å; L137-L139 PolarHBondContact O-N 2.86Å; L137-L139 VanDerWaalsContact O-N 3.08Å; L137-L140 HydrophobicContact CD2-CD1 3.97Å; L137-L140 VanDerWaalsContact O-CB 3.32Å; L137-L140 WeakPolarHBondContact O-CB 3.36Å; L137-L140 PolarHBondContact O-N 2.92Å
138P92Very high91.5Very high71 Ų7170.3 Ų70.346%0.46136%0.355SS..G310 helixtrans-57.8-25.1176.2-26.436.3000113.9N134 L136 L140 H141N134-P138 VanDerWaalsContact O-CD 3.25Å; N134-P138 WeakPolarHBondContact O-CD 3.36Å; N134-P138 WeakPolarHBondContact O-CG 3.37Å; L136-P138 VanDerWaalsContact C-CD 3.48Å; P138-L140 PolarHBondContact O-N 3.18Å; P138-H141 PolarHBondContact O-N 3.42Å; P138-H141 VanDerWaalsContact O-N 3.16Å
139L94.4Very high91.9Very high13 Ų1369.2 Ų69.27%0.06834%0.34CS..G310 helixtrans-66.9-18.3179.6-53.3176000113V28 K56 D57 P59 L136 L137 H141 L142V28-L139 HydrophobicContact CG1-CB 4.16Å; K56-L139 HydrophobicContact CD-CB 4.22Å; K56-L139 HydrophobicContact CG-CB 4.25Å; K56-L139 HydrophobicContact CG-CD1 4.34Å; D57-L139 VanDerWaalsContact C-CD1 3.4Å; P59-L139 HydrophobicContact CG-CD2 4.22Å; L136-L139 HydrophobicContact CD2-CD1 3.93Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 WeakPolarHBondContact O-CG 3.4Å; L136-L139 PolarHBondContact O-N 3.33Å; L137-L139 PolarHBondContact O-N 2.86Å; L137-L139 VanDerWaalsContact O-N 3.08Å; L139-H141 PolarHBondContact O-N 2.9Å; L139-L142 HydrophobicContact CD2-CD1 3.83Å; L139-L142 PolarHBondContact O-N 3.31Å; L139-L142 VanDerWaalsContact O-N 3.15Å
140L91.1Very high92.2Very high41 Ų4170.4 Ų70.422%0.21534%0.344CS..G310 helixtrans-62.7-26.4173.9-73.1165.4000112.8V28 I30 L137 P138 L142 T256V28-L140 HydrophobicContact CG1-CD2 4.43Å; V28-L140 HydrophobicContact CG1-CG 4.3Å; V28-L140 HydrophobicContact CG2-CD1 3.92Å; V28-L140 HydrophobicContact CG2-CD2 3.75Å; V28-L140 HydrophobicContact CG2-CG 3.73Å; I30-L140 HydrophobicContact CG2-CD2 4.18Å; L137-L140 HydrophobicContact CD2-CD1 3.97Å; L137-L140 VanDerWaalsContact O-CB 3.32Å; L137-L140 WeakPolarHBondContact O-CB 3.36Å; L137-L140 PolarHBondContact O-N 2.92Å; P138-L140 PolarHBondContact O-N 3.18Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-T256 WeakPolarHBondContact O-CG2 3.43Å
141H93.1Very high92.5Very high77 Ų7769.3 Ų69.336%0.35633%0.333SS..G310 helixtrans-92.13.6179.5-58.5-63.6000112.3P138 L139 V257 N258 P259 D260P138-H141 PolarHBondContact O-N 3.42Å; P138-H141 VanDerWaalsContact O-N 3.16Å; L139-H141 PolarHBondContact O-N 2.9Å; H141-V257 PolarHBondContact ND1-O 3.19Å; H141-N258 PolarHBondContact ND1-O 2.95Å; H141-N258 VanDerWaalsContact ND1-O 3.15Å; H141-P259 CarbonylContact O-C 3.21Å; H141-P259 WeakPolarHBondContact O-CA 3.45Å; H141-D260 HydrophobicContact CB-CB 4.32Å; H141-D260 PolarHBondContact O-N 2.8Å
142L94.1Very high92.8Very high51 Ų5162.9 Ų62.927%0.26731%0.306SS..SBendtrans-101.4116.2177.1-61.6-177.7000109.9K56 P59 L139 L140 D260K56-L142 PolarHBondContact NZ-O 2.77Å; P59-L142 HydrophobicContact CB-CD1 3.92Å; P59-L142 HydrophobicContact CG-CD1 4.05Å; L139-L142 HydrophobicContact CD2-CD1 3.83Å; L139-L142 PolarHBondContact O-N 3.31Å; L139-L142 VanDerWaalsContact O-N 3.15Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L142-D260 HydrophobicContact CD2-CB 4.45Å
143P94.4Very high93Very high19 Ų1962.3 Ų62.312%0.12330%0.303CS..  trans-50.9153.2174.5-28.536.5000113.3K56 F230 T256 P259 T261K56-P143 PolarHBondContact NZ-O 2.77Å; P143-F230 HydrophobicContact CB-CD1 3.8Å; P143-F230 HydrophobicContact CB-CE1 3.95Å; P143-F230 HydrophobicContact CB-CG 4.23Å; P143-F230 HydrophobicContact CB-CZ 4.49Å; P143-F230 HydrophobicContact CG-CB 4.42Å; P143-F230 HydrophobicContact CG-CD1 4.23Å; P143-F230 HydrophobicContact CG-CG 4.16Å; P143-T256 HydrophobicContact CG-CG2 4.32Å; P143-P259 HydrophobicContact CG-CB 3.85Å; P143-T261 HydrophobicContact CG-CG2 4.23Å
144V94.6Very high93Very high22 Ų2260.7 Ų60.713%0.13330%0.3CS..SBendtrans-91.3-3.4174.5-65.40000113.2I30 F62 S232 I254I30-V144 HydrophobicContact CD1-CG1 3.47Å; I30-V144 VanDerWaalsContact CD1-CG1 3.47Å; F62-V144 HydrophobicContact CD1-CG1 4.48Å; F62-V144 HydrophobicContact CE1-CB 4.07Å; F62-V144 HydrophobicContact CE1-CG1 4.23Å; F62-V144 HydrophobicContact CE2-CB 4.22Å; F62-V144 HydrophobicContact CE2-CG1 4.25Å; F62-V144 HydrophobicContact CZ-CB 3.75Å; F62-V144 HydrophobicContact CZ-CG1 4.1Å; V144-S232 VanDerWaalsContact CG2-OG 3.26Å; V144-S232 WeakPolarHBondContact CG2-OG 3.38Å; V144-I254 HydrophobicContact CG1-CD1 4.13Å; V144-I254 HydrophobicContact CG1-CG2 4.18Å; V144-I254 HydrophobicContact CG2-CB 3.99Å; V144-I254 HydrophobicContact CG2-CD1 4.11Å; V144-I254 HydrophobicContact CG2-CG2 4.07Å
145K95.1Very high93.1Very high62 Ų6259.3 Ų59.327%0.2729%0.293SS..SBendtrans-122.6170.7174.3-56.3-68.2-179.6157.50108.9S147 F230 D233K145-S147 PolarHBondContact O-N 3.45Å; K145-F230 HydrophobicContact CB-CE1 4.04Å; K145-F230 HydrophobicContact CB-CZ 4.21Å; K145-D233 WeakPolarHBondContact CE-OD1 3.3Å; K145-D233 WeakPolarHBondContact CE-OD2 3.32Å; K145-D233 VanDerWaalsContact NZ-CG 3.34Å; K145-D233 IonicContact NZ-OD1 3.22Å; K145-D233 PolarHBondContact NZ-OD1 2.99Å; K145-D233 VanDerWaalsContact NZ-OD1 3.09Å; K145-D233 IonicContact NZ-OD2 2.63Å; K145-D233 PolarHBondContact NZ-OD2 2.65Å
146D93.7Very high93.1Very high104 Ų10453.1 Ų53.156%0.55627%0.269SS*.  trans-56.3128.2169.8-172.7-29.8000109.2R148 D149D146-R148 PolarHBondContact O-N 3.27Å; D146-R148 VanDerWaalsContact O-N 3.13Å; D146-R148 PolarHBondContact OD1-N 3.16Å; D146-D149 HydrophobicContact CB-CB 3.91Å; D146-D149 PolarHBondContact O-N 3.5Å
147S90.1Very high92.9Very high34 Ų3456.7 Ų56.724%0.23829%0.291CS..THydrogen-bonded Turntrans-65.3-14.8-177.661.20000113.6K145 F150K145-S147 PolarHBondContact O-N 3.45Å; S147-F150 VanDerWaalsContact O-CD1 3.26Å; S147-F150 WeakPolarHBondContact O-CD1 3.41Å; S147-F150 WeakPolarHBondContact O-CE1 3.28Å
148R91.8Very high92.6Very high188 Ų18857.5 Ų57.571%0.70931%0.308SS*.THydrogen-bonded Turntrans-97.9-12.2175.5-61.1-177.6-178.3161.26.5113.3D146 F150D146-R148 PolarHBondContact O-N 3.27Å; D146-R148 VanDerWaalsContact O-N 3.13Å; D146-R148 PolarHBondContact OD1-N 3.16Å; R148-F150 VanDerWaalsContact C-N 3.31Å; R148-F150 PolarHBondContact O-N 3.41Å; R148-F150 VanDerWaalsContact O-N 3.12Å
149D95.2Very high92.3Very high87 Ų8757.9 Ų57.947%0.46531%0.305SS..  trans-84.778.3175.6178.431.9000108.8D146 N169D146-D149 HydrophobicContact CB-CB 3.91Å; D146-D149 PolarHBondContact O-N 3.5Å; D149-N169 WeakPolarHBondContact O-CB 3.26Å; D149-N169 PolarHBondContact O-ND2 2.67Å; D149-N169 PolarHBondContact OD2-ND2 3.24Å; D149-N169 VanDerWaalsContact OD2-ND2 3.09Å
150F96.4Very high91.9Very high62 Ų6258 Ų5827%0.27231%0.31SS..  trans-145.9158171.568.2-88.8000110.7S147 R148 N169 L171 F230 E263S147-F150 VanDerWaalsContact O-CD1 3.26Å; S147-F150 WeakPolarHBondContact O-CD1 3.41Å; S147-F150 WeakPolarHBondContact O-CE1 3.28Å; R148-F150 VanDerWaalsContact C-N 3.31Å; R148-F150 PolarHBondContact O-N 3.41Å; R148-F150 VanDerWaalsContact O-N 3.12Å; F150-N169 WeakPolarHBondContact CA-O 3.49Å; F150-N169 HydrophobicContact CB-CB 4.24Å; F150-L171 HydrophobicContact CB-CB 4.47Å; F150-L171 HydrophobicContact CD1-CB 4.24Å; F150-L171 HydrophobicContact CD2-CB 3.67Å; F150-L171 HydrophobicContact CE1-CB 4.41Å; F150-L171 HydrophobicContact CE1-CD2 4.03Å; F150-L171 HydrophobicContact CE2-CB 3.88Å; F150-L171 HydrophobicContact CE2-CD2 4.23Å; F150-L171 HydrophobicContact CG-CB 3.87Å; F150-L171 HydrophobicContact CZ-CB 4.25Å; F150-L171 HydrophobicContact CZ-CD2 3.85Å; F150-F230 HydrophobicContact CB-CE2 4.04Å; F150-F230 HydrophobicContact CD1-CE2 4.27Å; F150-E263 HydrophobicContact CE1-CB 4.42Å; F150-E263 HydrophobicContact CE1-CG 4.29Å; F150-E263 HydrophobicContact CZ-CB 4.48Å; F150-E263 HydrophobicContact CZ-CG 4.5Å
151Y96.4Very high91.7Very high91 Ų9161.9 Ų61.936%0.35733%0.327SS..BIsolated β-bridgetrans-97.1136.8169.3-77.6-108.6000109.5D155 I168 N169Y151-D155 HydrophobicContact CD1-CB 4.12Å; Y151-I168 HydrophobicContact CD2-CB 3.93Å; Y151-I168 HydrophobicContact CD2-CD1 4Å; Y151-I168 HydrophobicContact CD2-CG1 4.42Å; Y151-I168 HydrophobicContact CD2-CG2 4.14Å; Y151-I168 HydrophobicContact CE2-CB 4.3Å; Y151-I168 HydrophobicContact CE2-CG2 4.05Å; Y151-I168 HydrophobicContact CG-CD1 3.89Å; Y151-N169 PolarHBondContact N-O 2.67Å
152S94.6Very high91.6Very high26 Ų2662.2 Ų62.218%0.18234%0.338CS..  trans-65154.8165.772.10000110G154 D155 I156S152-G154 PolarHBondContact O-N 2.83Å; S152-D155 PolarHBondContact O-N 3.05Å; S152-D155 WeakPolarHBondContact OG-CB 3.48Å; S152-D155 PolarHBondContact OG-N 3.12Å; S152-D155 PolarHBondContact OG-OD2 3.29Å; S152-I156 WeakPolarHBondContact O-CG1 3.33Å; S152-I156 PolarHBondContact O-N 3.33Å; S152-I156 VanDerWaalsContact O-N 3.16Å
153L93.8Very high91.4Very high0 Ų060.6 Ų60.60%033%0.329CS..Hα-helixtrans-62.5-35.1177.4-61.3179.1000111I156 V157 I170 A172 L198 D200 V203 F206L153-I156 HydrophobicContact CD2-CD1 4.32Å; L153-I156 PolarHBondContact O-N 2.84Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 2.74Å; L153-I170 HydrophobicContact CD2-CG2 3.63Å; L153-A172 HydrophobicContact CD1-CB 3.99Å; L153-A172 HydrophobicContact CD2-CB 4.3Å; L153-A172 HydrophobicContact CG-CB 4.29Å; L153-L198 HydrophobicContact CD1-CB 4.31Å; L153-D200 VanDerWaalsContact CB-OD2 3.26Å; L153-D200 WeakPolarHBondContact CB-OD2 3.35Å; L153-D200 HydrophobicContact CD1-CB 4.19Å; L153-D200 HydrophobicContact CG-CB 4.46Å; L153-D200 VanDerWaalsContact CG-OD2 3.3Å; L153-D200 WeakPolarHBondContact CG-OD2 3.44Å; L153-D200 PolarHBondContact N-OD2 3.05Å; L153-V203 HydrophobicContact CB-CB 3.74Å; L153-V203 HydrophobicContact CB-CG1 4.43Å; L153-V203 HydrophobicContact CB-CG2 3.86Å; L153-V203 HydrophobicContact CD1-CB 4.38Å; L153-F206 HydrophobicContact CD1-CB 3.78Å; L153-F206 HydrophobicContact CD1-CG 4.43Å; L153-F206 HydrophobicContact CD2-CB 3.99Å; L153-F206 HydrophobicContact CD2-CD1 3.8Å; L153-F206 HydrophobicContact CD2-CD2 4.19Å; L153-F206 HydrophobicContact CD2-CE1 4.31Å; L153-F206 HydrophobicContact CD2-CG 3.73Å; L153-F206 HydrophobicContact CG-CB 4.33Å; L153-F206 HydrophobicContact CG-CG 4.49Å
154G88.1Confident91.1Very high19 Ų1962.8 Ų62.820%0.19634%0.34CS..Hα-helixtrans-62.1-43.2175.800000112.5S152 I156 V157 A158 S202S152-G154 PolarHBondContact O-N 2.83Å; G154-I156 VanDerWaalsContact C-N 3.32Å; G154-I156 PolarHBondContact O-N 2.94Å; G154-V157 PolarHBondContact O-N 3.29Å; G154-A158 VanDerWaalsContact O-CB 3.27Å; G154-A158 WeakPolarHBondContact O-CB 3.4Å; G154-A158 PolarHBondContact O-N 3Å; G154-S202 VanDerWaalsContact CA-OG 3.26Å; G154-S202 WeakPolarHBondContact CA-OG 3.41Å; G154-S202 PolarHBondContact N-OG 2.88Å
155D90.4Very high90.8Very high81 Ų8170 Ų7043%0.43337%0.365SS..Hα-helixtrans-63-40.2175.2-66.7-41.3000111.4Y151 S152 V157 A158 N159Y151-D155 HydrophobicContact CD1-CB 4.12Å; S152-D155 PolarHBondContact O-N 3.05Å; S152-D155 WeakPolarHBondContact OG-CB 3.48Å; S152-D155 PolarHBondContact OG-N 3.12Å; S152-D155 PolarHBondContact OG-OD2 3.29Å; D155-V157 VanDerWaalsContact C-N 3.35Å; D155-V157 PolarHBondContact O-N 2.9Å; D155-A158 PolarHBondContact O-N 3.13Å; D155-N159 WeakPolarHBondContact O-CB 3.13Å; D155-N159 PolarHBondContact O-N 3.47Å; D155-N159 PolarHBondContact O-ND2 2.99Å
156I91.9Very high90.8Very high0 Ų069 Ų690%036%0.364CS..Hα-helixtrans-62-46.4177.4-60.6168.1000110.3S152 L153 G154 G160 L163 I168 I170 F206 I236 M245S152-I156 WeakPolarHBondContact O-CG1 3.33Å; S152-I156 PolarHBondContact O-N 3.33Å; S152-I156 VanDerWaalsContact O-N 3.16Å; L153-I156 HydrophobicContact CD2-CD1 4.32Å; L153-I156 PolarHBondContact O-N 2.84Å; G154-I156 VanDerWaalsContact C-N 3.32Å; G154-I156 PolarHBondContact O-N 2.94Å; I156-G160 PolarHBondContact O-N 2.96Å; I156-G160 VanDerWaalsContact O-N 3.08Å; I156-L163 HydrophobicContact CB-CD1 4.47Å; I156-L163 HydrophobicContact CG2-CD1 4.32Å; I156-I168 HydrophobicContact CD1-CD1 3.74Å; I156-I168 HydrophobicContact CG1-CD1 3.7Å; I156-I170 HydrophobicContact CD1-CD1 4.06Å; I156-I170 HydrophobicContact CD1-CG1 4.01Å; I156-F206 HydrophobicContact CB-CE2 4.27Å; I156-F206 HydrophobicContact CD1-CZ 4.38Å; I156-F206 HydrophobicContact CG2-CE2 3.8Å; I156-F206 HydrophobicContact CG2-CZ 3.82Å; I156-I236 HydrophobicContact CD1-CD1 4.26Å; I156-I236 HydrophobicContact CG2-CD1 4.36Å; I156-I236 HydrophobicContact CG2-CG2 3.98Å; I156-M245 HydrophobicContact CG2-CB 4.16Å; I156-M245 HydrophobicContact CG2-CE 4.37Å; I156-M245 HydrophobicContact CG2-CG 4.4Å
157V88.3Confident90.8Very high75 Ų7567.3 Ų67.346%0.45536%0.357SS..Hα-helixtrans-65.4-42.4179.1173.20000111.3L153 G154 D155 G160 V203 F206L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 2.74Å; G154-V157 PolarHBondContact O-N 3.29Å; D155-V157 VanDerWaalsContact C-N 3.35Å; D155-V157 PolarHBondContact O-N 2.9Å; V157-G160 PolarHBondContact O-N 2.92Å; V157-V203 HydrophobicContact CG2-CG2 4.14Å; V157-F206 HydrophobicContact CG2-CD2 4.15Å; V157-F206 HydrophobicContact CG2-CE2 4.25Å
158A84.8Confident91.1Very high85 Ų8566.4 Ų66.470%0.70235%0.35SS*.Hα-helixtrans-66.1-39.4-17900000112.9G154 D155 G160G154-A158 VanDerWaalsContact O-CB 3.27Å; G154-A158 WeakPolarHBondContact O-CB 3.4Å; G154-A158 PolarHBondContact O-N 3Å; D155-A158 PolarHBondContact O-N 3.13Å; A158-G160 VanDerWaalsContact C-N 3.29Å
159N86Confident91.4Very high78 Ų7857.7 Ų57.742%0.41732%0.317SS..Hα-helixtrans-74.3-23.2175.3-75.8-80.4000112.3D155 Q161 S162 L163D155-N159 WeakPolarHBondContact O-CB 3.13Å; D155-N159 PolarHBondContact O-N 3.47Å; D155-N159 PolarHBondContact O-ND2 2.99Å; N159-Q161 PolarHBondContact O-N 3.25Å; N159-S162 WeakPolarHBondContact O-CB 3.35Å; N159-S162 PolarHBondContact O-N 2.83Å; N159-S162 PolarHBondContact O-OG 2.77Å; N159-L163 HydrophobicContact CB-CD1 3.56Å; N159-L163 HydrophobicContact CB-CG 3.72Å
160G85.8Confident91.5Very high15 Ų1553.6 Ų53.616%0.15530%0.295CS..G310 helixtrans54.1-134.2172.700000113I156 V157 A158 S162 L163 M245I156-G160 PolarHBondContact O-N 2.96Å; I156-G160 VanDerWaalsContact O-N 3.08Å; V157-G160 PolarHBondContact O-N 2.92Å; A158-G160 VanDerWaalsContact C-N 3.29Å; G160-S162 PolarHBondContact O-N 2.85Å; G160-L163 PolarHBondContact O-N 3.06Å; G160-L163 VanDerWaalsContact O-N 3.11Å; G160-M245 WeakPolarHBondContact O-CE 3.33Å; G160-M245 VanDerWaalsContact O-SD 3.35Å
161Q87.9Confident91.6Very high124 Ų12451 Ų5158%0.57928%0.284SS*.G310 helixtrans-63.4-14.5-175.2-65.7-178.517.400114.6N159 L163 D164 F238N159-Q161 PolarHBondContact O-N 3.25Å; Q161-L163 PolarHBondContact O-N 2.86Å; Q161-D164 VanDerWaalsContact O-CB 3.32Å; Q161-D164 WeakPolarHBondContact O-CB 3.46Å; Q161-D164 PolarHBondContact O-N 2.83Å; Q161-F238 HydrophobicContact CG-CB 3.99Å; Q161-F238 HydrophobicContact CG-CD1 3.94Å; Q161-F238 HydrophobicContact CG-CD2 3.77Å; Q161-F238 HydrophobicContact CG-CE1 4.3Å; Q161-F238 HydrophobicContact CG-CE2 4.14Å; Q161-F238 HydrophobicContact CG-CG 3.63Å; Q161-F238 HydrophobicContact CG-CZ 4.36Å
162S89.9Confident91.6Very high84 Ų8446.6 Ų46.659%0.58727%0.267SS*.G310 helixtrans-63.9-22.2174.468.90000112.7N159 G160N159-S162 WeakPolarHBondContact O-CB 3.35Å; N159-S162 PolarHBondContact O-N 2.83Å; N159-S162 PolarHBondContact O-OG 2.77Å; G160-S162 PolarHBondContact O-N 2.85Å
163L89.3Confident91.6Very high17 Ų1745.4 Ų45.49%0.08926%0.258CS..G310 helixtrans-93.99174.1-62.6177.6000113.1I156 N159 G160 Q161 R165 T166 I236 M245I156-L163 HydrophobicContact CB-CD1 4.47Å; I156-L163 HydrophobicContact CG2-CD1 4.32Å; N159-L163 HydrophobicContact CB-CD1 3.56Å; N159-L163 HydrophobicContact CB-CG 3.72Å; G160-L163 PolarHBondContact O-N 3.06Å; G160-L163 VanDerWaalsContact O-N 3.11Å; Q161-L163 PolarHBondContact O-N 2.86Å; L163-R165 PolarHBondContact O-N 2.83Å; L163-T166 HydrophobicContact CB-CG2 4.47Å; L163-T166 HydrophobicContact CD2-CG2 4.26Å; L163-T166 PolarHBondContact O-N 3.47Å; L163-T166 VanDerWaalsContact O-N 3.14Å; L163-T166 PolarHBondContact O-OG1 2.87Å; L163-I236 HydrophobicContact CB-CG2 4.03Å; L163-M245 HydrophobicContact CB-CE 4.36Å
164D88.6Confident91.6Very high64 Ų6445.4 Ų45.434%0.34226%0.258SS..THydrogen-bonded Turntrans-60.2127.5177.4-170.850.7000110.6Q161 T166 G237 F238Q161-D164 VanDerWaalsContact O-CB 3.32Å; Q161-D164 WeakPolarHBondContact O-CB 3.46Å; Q161-D164 PolarHBondContact O-N 2.83Å; D164-T166 PolarHBondContact O-N 2.8Å; D164-G237 VanDerWaalsContact OD1-CA 3.24Å; D164-G237 WeakPolarHBondContact OD1-CA 3.39Å; D164-F238 PolarHBondContact OD1-N 3.23Å
165R89.3Confident91.5Very high174 Ų17444.8 Ų44.866%0.65725%0.25SS*.THydrogen-bonded Turntrans689.1-178.9-47.5171.9177.5-115.6-5.5115.3L163 I236L163-R165 PolarHBondContact O-N 2.83Å; R165-I236 VanDerWaalsContact CA-O 3.3Å; R165-I236 WeakPolarHBondContact CA-O 3.05Å; R165-I236 PolarHBondContact N-O 3.47Å
166T93.6Very high91.2Very high42 Ų4242.2 Ų42.226%0.25824%0.238SC..  trans-73.2159.317066.80000110.4L163 D164 R235 I236L163-T166 HydrophobicContact CB-CG2 4.47Å; L163-T166 HydrophobicContact CD2-CG2 4.26Å; L163-T166 PolarHBondContact O-N 3.47Å; L163-T166 VanDerWaalsContact O-N 3.14Å; L163-T166 PolarHBondContact O-OG1 2.87Å; D164-T166 PolarHBondContact O-N 2.8Å; T166-R235 WeakPolarHBondContact O-CA 3.12Å; T166-I236 PolarHBondContact O-N 2.88Å
167V94.7Very high90.8Very high68 Ų6844.3 Ų44.341%0.41225%0.249SC..EExtended strand (participates in β ladder)trans-118.5117.7175.6176.40000106.5D233 A234V167-D233 VanDerWaalsContact CG1-CA 3.43Å; V167-D233 HydrophobicContact CG1-CB 3.6Å; V167-A234 WeakPolarHBondContact CA-O 3.27Å
168I95.9Very high90.4Very high15 Ų1543 Ų438%0.07725%0.246CC..EExtended strand (participates in β ladder)trans-138.1166.2-175.371.2-176.3000110.2Y151 I156 I170 A234 I236Y151-I168 HydrophobicContact CD2-CB 3.93Å; Y151-I168 HydrophobicContact CD2-CD1 4Å; Y151-I168 HydrophobicContact CD2-CG1 4.42Å; Y151-I168 HydrophobicContact CD2-CG2 4.14Å; Y151-I168 HydrophobicContact CE2-CB 4.3Å; Y151-I168 HydrophobicContact CE2-CG2 4.05Å; Y151-I168 HydrophobicContact CG-CD1 3.89Å; I156-I168 HydrophobicContact CD1-CD1 3.74Å; I156-I168 HydrophobicContact CG1-CD1 3.7Å; I168-I170 HydrophobicContact CG1-CG1 4.35Å; I168-A234 PolarHBondContact N-O 3.48Å; I168-A234 WeakPolarHBondContact O-CB 3.43Å; I168-A234 PolarHBondContact O-N 2.86Å; I168-I236 HydrophobicContact CD1-CD1 3.79Å; I168-I236 HydrophobicContact CD1-CG1 3.38Å; I168-I236 HydrophobicContact CG1-CD1 3.91Å; I168-I236 HydrophobicContact CG1-CG1 3.57Å
169N97.7Very high90.3Very high5 Ų546.8 Ų46.83%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-96.1148.9172.6-45.6-45.5000110.5D149 F150 Y151 F230 I231 S232 D233D149-N169 WeakPolarHBondContact O-CB 3.26Å; D149-N169 PolarHBondContact O-ND2 2.67Å; D149-N169 PolarHBondContact OD2-ND2 3.24Å; D149-N169 VanDerWaalsContact OD2-ND2 3.09Å; F150-N169 WeakPolarHBondContact CA-O 3.49Å; F150-N169 HydrophobicContact CB-CB 4.24Å; Y151-N169 PolarHBondContact N-O 2.67Å; N169-F230 HydrophobicContact CB-CE1 4.15Å; N169-F230 HydrophobicContact CB-CZ 3.86Å; N169-I231 CarbonylContact C-O 3.45Å; N169-I231 VanDerWaalsContact CA-O 3.24Å; N169-I231 WeakPolarHBondContact CA-O 3.27Å; N169-S232 WeakPolarHBondContact OD1-CA 3.38Å; N169-D233 PolarHBondContact OD1-N 2.77Å
170I98.1Very high90.2Very high0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-132.3134.4-177.2-52.4175.6000108.9L153 I156 I168 A172 F230 I231 A234 I236 A247L153-I170 HydrophobicContact CD2-CG2 3.63Å; I156-I170 HydrophobicContact CD1-CD1 4.06Å; I156-I170 HydrophobicContact CD1-CG1 4.01Å; I168-I170 HydrophobicContact CG1-CG1 4.35Å; I170-A172 HydrophobicContact CG2-CB 4.1Å; I170-F230 CarbonylContact O-C 3.59Å; I170-F230 WeakPolarHBondContact O-CA 3.4Å; I170-I231 HydrophobicContact CB-CB 4.37Å; I170-I231 PolarHBondContact N-O 2.63Å; I170-I231 PolarHBondContact O-N 3.48Å; I170-A234 HydrophobicContact CD1-CB 3.83Å; I170-A234 HydrophobicContact CG1-CB 4.24Å; I170-I236 HydrophobicContact CD1-CD1 3.9Å; I170-A247 HydrophobicContact CD1-CB 3.62Å
171L97.9Very high90.2Very high7 Ų751 Ų514%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-111.8115.6166.5-179.368.9000108.5F150 V228 L229 F230 P259 E263 A264 L267F150-L171 HydrophobicContact CB-CB 4.47Å; F150-L171 HydrophobicContact CD1-CB 4.24Å; F150-L171 HydrophobicContact CD2-CB 3.67Å; F150-L171 HydrophobicContact CE1-CB 4.41Å; F150-L171 HydrophobicContact CE1-CD2 4.03Å; F150-L171 HydrophobicContact CE2-CB 3.88Å; F150-L171 HydrophobicContact CE2-CD2 4.23Å; F150-L171 HydrophobicContact CG-CB 3.87Å; F150-L171 HydrophobicContact CZ-CB 4.25Å; F150-L171 HydrophobicContact CZ-CD2 3.85Å; L171-V228 HydrophobicContact CD1-CG1 3.71Å; L171-V228 HydrophobicContact CG-CG1 4.47Å; L171-L229 WeakPolarHBondContact CA-O 3.26Å; L171-F230 HydrophobicContact CB-CD2 4.29Å; L171-F230 HydrophobicContact CD1-CB 4.19Å; L171-F230 HydrophobicContact CD1-CD2 4.19Å; L171-P259 HydrophobicContact CD1-CG 4.04Å; L171-E263 HydrophobicContact CD2-CB 3.61Å; L171-A264 HydrophobicContact CD1-CB 4.05Å; L171-L267 HydrophobicContact CG-CD2 4.13Å
172A97.7Very high90.3Very high0 Ų052.4 Ų52.40%027%0.268CS..EExtended strand (participates in β ladder)trans-151.7153.3-176.800000112.7L153 I170 L198 L229L153-A172 HydrophobicContact CD1-CB 3.99Å; L153-A172 HydrophobicContact CD2-CB 4.3Å; L153-A172 HydrophobicContact CG-CB 4.29Å; I170-A172 HydrophobicContact CG2-CB 4.1Å; A172-L198 HydrophobicContact CB-CB 3.87Å; A172-L198 HydrophobicContact CB-CD1 4.13Å; A172-L198 HydrophobicContact CB-CG 4.42Å; A172-L229 PolarHBondContact N-O 3.13Å; A172-L229 PolarHBondContact O-N 3.27Å
173A94.9Very high90.1Very high0 Ų052.3 Ų52.30%026%0.257CS..EExtended strand (participates in β ladder)trans-84.7148.3171.900000111R175 L198 F199 T227 V228 L267 A271A173-R175 PolarHBondContact O-N 2.87Å; A173-L198 CarbonylContact O-C 3.6Å; A173-L198 VanDerWaalsContact O-CA 3.27Å; A173-L198 WeakPolarHBondContact O-CA 3.49Å; A173-F199 HydrophobicContact CB-CD1 3.76Å; A173-F199 HydrophobicContact CB-CE1 3.38Å; A173-F199 HydrophobicContact CB-CE2 4.28Å; A173-F199 HydrophobicContact CB-CG 4.4Å; A173-F199 HydrophobicContact CB-CZ 3.68Å; A173-F199 PolarHBondContact N-O 3.19Å; A173-F199 WeakPolarHBondContact O-CD1 3.39Å; A173-F199 PolarHBondContact O-N 3.18Å; A173-T227 WeakPolarHBondContact CA-O 2.95Å; A173-V228 HydrophobicContact CB-CG2 4.33Å; A173-L267 HydrophobicContact CB-CG 4.32Å; A173-A271 HydrophobicContact CB-CB 3.95Å
174V92.2Very high90.1Very high0 Ų056 Ų560%028%0.28CS..EExtended strand (participates in β ladder)trans-79120176.2179.80000108.9I177 V196 L222 P224 R225 T227 L229V174-I177 HydrophobicContact CG1-CD1 4.2Å; V174-I177 HydrophobicContact CG1-CG1 3.94Å; V174-V196 HydrophobicContact CG1-CG1 3.86Å; V174-L222 HydrophobicContact CG2-CD1 4.08Å; V174-P224 HydrophobicContact CG1-CB 4.34Å; V174-R225 WeakPolarHBondContact O-CA 3.46Å; V174-R225 PolarHBondContact O-N 3.11Å; V174-T227 HydrophobicContact CG2-CG2 4.2Å; V174-T227 PolarHBondContact N-O 2.65Å; V174-L229 HydrophobicContact CG2-CD1 3.58Å; V174-L229 HydrophobicContact CG2-CD2 4.42Å; V174-L229 HydrophobicContact CG2-CG 3.74Å
175R86.6Confident89.8Confident7 Ų755.2 Ų55.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-86.6-52176.6-171.8179.3-166.1162.611.7112.8A173 K197 F199 T204 P224 L280 D283A173-R175 PolarHBondContact O-N 2.87Å; R175-K197 WeakPolarHBondContact CA-O 3.28Å; R175-K197 HydrophobicContact CB-CB 3.99Å; R175-K197 VanDerWaalsContact CB-O 3.26Å; R175-K197 WeakPolarHBondContact CB-O 3.4Å; R175-K197 PolarHBondContact N-O 3.1Å; R175-F199 HydrophobicContact CB-CB 4.45Å; R175-F199 HydrophobicContact CB-CD1 3.62Å; R175-F199 HydrophobicContact CB-CE1 4.25Å; R175-F199 HydrophobicContact CB-CG 4.37Å; R175-F199 HydrophobicContact CG-CD1 4.26Å; R175-T204 VanDerWaalsContact CD-O 3.27Å; R175-T204 WeakPolarHBondContact CD-O 3.18Å; R175-T204 VanDerWaalsContact NH1-C 3.28Å; R175-T204 PolarHBondContact NH1-O 2.81Å; R175-P224 WeakPolarHBondContact O-CB 3.37Å; R175-L280 HydrophobicContact CG-CD2 4.4Å; R175-L280 PolarHBondContact NH2-O 2.87Å; R175-D283 IonicContact CZ-OD2 2.85Å; R175-D283 VanDerWaalsContact NH1-CB 3.33Å; R175-D283 IonicContact NH1-OD2 3.89Å; R175-D283 PolarHBondContact NH1-OD2 3.49Å; R175-D283 VanDerWaalsContact NH2-CG 3.28Å; R175-D283 IonicContact NH2-OD2 3.39Å; R175-D283 PolarHBondContact NH2-OD2 2.95Å
176S83.5Confident89.4Confident26 Ų2652.7 Ų52.718%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-160157.5-179.9640000110.7K197S176-K197 PolarHBondContact N-O 3.27Å; S176-K197 PolarHBondContact O-N 3.24Å
177I84.6Confident88.8Confident45 Ų4555 Ų5523%0.23131%0.305CS..EExtended strand (participates in β ladder)trans-122.9120.2-176.8-61.5159.2000106.6V174 L194 V196 V219 L222 P224V174-I177 HydrophobicContact CG1-CD1 4.2Å; V174-I177 HydrophobicContact CG1-CG1 3.94Å; I177-L194 HydrophobicContact CG2-CD1 4.01Å; I177-L194 HydrophobicContact CG2-CD2 3.84Å; I177-L194 HydrophobicContact CG2-CG 4.43Å; I177-V196 HydrophobicContact CG1-CG1 4.24Å; I177-V196 HydrophobicContact CG1-CG2 4.48Å; I177-V219 VanDerWaalsContact CD1-O 3.23Å; I177-V219 WeakPolarHBondContact CD1-O 3.45Å; I177-L222 HydrophobicContact CD1-CB 4.16Å; I177-L222 WeakPolarHBondContact CD1-O 3.43Å; I177-P224 HydrophobicContact CD1-CG 3.94Å; I177-P224 HydrophobicContact CG1-CG 4.3Å
178A80.1Confident88.1Confident46 Ų4654.4 Ų54.438%0.3831%0.312SS..PPolyproline II helixtrans-77164177.800000111.8L194 E195A178-L194 VanDerWaalsContact O-CD1 3.27Å; A178-L194 WeakPolarHBondContact O-CD1 3.42Å; A178-L194 WeakPolarHBondContact O-CG 3.4Å; A178-E195 HydrophobicContact CB-CB 4.39Å; A178-E195 VanDerWaalsContact CB-O 3.23Å; A178-E195 WeakPolarHBondContact CB-O 3.34Å; A178-E195 PolarHBondContact N-O 3.25Å
179E81.9Confident87.4Confident165 Ų16561.9 Ų61.977%0.77134%0.339SS*.PPolyproline II helixtrans-66.6141.8172.2-65.8-17516400111.6K181E179-K181 PolarHBondContact O-N 3.44Å
180P83.9Confident86.8Confident38 Ų3870.8 Ų70.825%0.24738%0.378CS..PPolyproline II helixtrans-58.8132.3171.8-17.625.9000111.7F182 L194P180-F182 HydrophobicContact CB-CE2 4.08Å; P180-F182 HydrophobicContact CB-CZ 4.04Å; P180-L194 HydrophobicContact CG-CD1 3.97Å
181K86.8Confident86.2Confident143 Ų14371.8 Ų71.862%0.62239%0.388SS*.EExtended strand (participates in β ladder)trans-104.8129.3172.6-65.7179.8-178.4174.50109.3E179 Q192 R193E179-K181 PolarHBondContact O-N 3.44Å; K181-Q192 CarbonylContact O-C 3.55Å; K181-Q192 WeakPolarHBondContact O-CA 3.46Å; K181-R193 PolarHBondContact N-O 2.93Å; K181-R193 PolarHBondContact O-N 2.75Å
182F89.5Confident85.9Confident155 Ų15573.3 Ų73.368%0.6840%0.395SS*.EExtended strand (participates in β ladder)trans-103.3142.5176.1-58.2-83.3000110.2P180 G191 Q192P180-F182 HydrophobicContact CB-CE2 4.08Å; P180-F182 HydrophobicContact CB-CZ 4.04Å; F182-G191 WeakPolarHBondContact CA-O 3.47Å; F182-Q192 HydrophobicContact CD1-CB 3.83Å; F182-Q192 HydrophobicContact CE1-CB 3.97Å
183F85.7Confident85.6Confident81 Ų8176.4 Ų76.436%0.35541%0.407SS..EExtended strand (participates in β ladder)trans-144.2163.3178.262.2-88.5000110.9T185 G191 R193 W211F183-T185 HydrophobicContact CD2-CG2 4.18Å; F183-T185 HydrophobicContact CE2-CG2 3.77Å; F183-G191 PolarHBondContact N-O 3.19Å; F183-G191 PolarHBondContact O-N 2.87Å; F183-R193 HydrophobicContact CE1-CB 4.31Å; F183-W211 AromaticContact CE1-CE3 3.98Å; F183-W211 HydrophobicContact CE1-CE3 3.98Å; F183-W211 AromaticContact CE1-CZ3 3.67Å; F183-W211 HydrophobicContact CE1-CZ3 3.67Å; F183-W211 AromaticContact CZ-CE3 3.99Å; F183-W211 HydrophobicContact CZ-CE3 3.99Å; F183-W211 AromaticContact CZ-CZ3 3.74Å; F183-W211 HydrophobicContact CZ-CZ3 3.74Å
184T88.9Confident85.5Confident95 Ų9576.5 Ų76.558%0.58341%0.407SS*.EExtended strand (participates in β ladder)trans-117.1126.8171-53.80000107.5R189T184-R189 CarbonylContact C-O 3.57Å; T184-R189 WeakPolarHBondContact CA-O 3.44Å
185T82.1Confident85.6Confident48 Ų4878.4 Ų78.429%0.29442%0.416SS..  trans-70.7164.5176.554.20000110.9F183 D187 G188 R189F183-T185 HydrophobicContact CD2-CG2 4.18Å; F183-T185 HydrophobicContact CE2-CG2 3.77Å; T185-D187 WeakPolarHBondContact CB-OD1 3.46Å; T185-D187 PolarHBondContact O-N 3.15Å; T185-D187 VanDerWaalsContact O-N 3.12Å; T185-D187 PolarHBondContact OG1-OD1 2.97Å; T185-G188 PolarHBondContact O-N 3.05Å; T185-R189 PolarHBondContact N-O 3.22Å; T185-R189 WeakPolarHBondContact OG1-CA 3.42Å; T185-R189 WeakPolarHBondContact OG1-CB 3.38Å; T185-R189 PolarHBondContact OG1-N 2.77Å; T185-R189 VanDerWaalsContact OG1-N 3.1Å; T185-R189 PolarHBondContact OG1-O 3.45Å; T185-R189 VanDerWaalsContact OG1-O 3.07Å
186A82Confident86Confident120 Ų12078.1 Ų78.199%0.99242%0.415SS*.THydrogen-bonded Turntrans-58.4-26.6-179.500000113.5G188A186-G188 VanDerWaalsContact C-N 3.33Å
187D81.2Confident86.5Confident92 Ų9279.1 Ų79.149%0.49242%0.416SS..THydrogen-bonded Turntrans-9314.717668.9-27.2000113.7T185 R189T185-D187 WeakPolarHBondContact CB-OD1 3.46Å; T185-D187 PolarHBondContact O-N 3.15Å; T185-D187 VanDerWaalsContact O-N 3.12Å; T185-D187 PolarHBondContact OG1-OD1 2.97Å; D187-R189 PolarHBondContact O-N 2.94Å; D187-R189 IonicContact OD1-NE 3.96Å; D187-R189 IonicContact OD2-CZ 2.9Å; D187-R189 IonicContact OD2-NE 3.32Å; D187-R189 PolarHBondContact OD2-NE 2.7Å; D187-R189 IonicContact OD2-NH2 3.24Å; D187-R189 PolarHBondContact OD2-NH2 3.14Å
188G78.2Confident87Confident54 Ų5477 Ų7756%0.55741%0.405SS*.SBendtrans84.20.9170.600000115.6T185 A186T185-G188 PolarHBondContact O-N 3.05Å; A186-G188 VanDerWaalsContact C-N 3.33Å
189R81.1Confident87.5Confident173 Ų17374.8 Ų74.865%0.65339%0.387SS*.  trans-73.7137.6176.6-65.7-176.5-103.5156.3-9110.6T184 T185 D187T184-R189 CarbonylContact C-O 3.57Å; T184-R189 WeakPolarHBondContact CA-O 3.44Å; T185-R189 PolarHBondContact N-O 3.22Å; T185-R189 WeakPolarHBondContact OG1-CA 3.42Å; T185-R189 WeakPolarHBondContact OG1-CB 3.38Å; T185-R189 PolarHBondContact OG1-N 2.77Å; T185-R189 VanDerWaalsContact OG1-N 3.1Å; T185-R189 PolarHBondContact OG1-O 3.45Å; T185-R189 VanDerWaalsContact OG1-O 3.07Å; D187-R189 PolarHBondContact O-N 2.94Å; D187-R189 IonicContact OD1-NE 3.96Å; D187-R189 IonicContact OD2-CZ 2.9Å; D187-R189 IonicContact OD2-NE 3.32Å; D187-R189 PolarHBondContact OD2-NE 2.7Å; D187-R189 IonicContact OD2-NH2 3.24Å; D187-R189 PolarHBondContact OD2-NH2 3.14Å
190K85.3Confident87.9Confident192 Ų19267.1 Ų67.184%0.83535%0.351SS*.EExtended strand (participates in β ladder)trans-80132.7172.9-64.3-178.9-179.4178.40109
191G86.8Confident87.8Confident21 Ų2171 Ų7122%0.21637%0.37CS..EExtended strand (participates in β ladder)trans-129.9166.417600000111.4F182 F183F182-G191 WeakPolarHBondContact CA-O 3.47Å; F183-G191 PolarHBondContact N-O 3.19Å; F183-G191 PolarHBondContact O-N 2.87Å
192Q90.8Very high87.6Confident38 Ų3867.1 Ų67.118%0.17836%0.361CS..EExtended strand (participates in β ladder)trans-140.6158.4175.458.4-177.9-24.400110.5K181 F182 W211 I216K181-Q192 CarbonylContact O-C 3.55Å; K181-Q192 WeakPolarHBondContact O-CA 3.46Å; F182-Q192 HydrophobicContact CD1-CB 3.83Å; F182-Q192 HydrophobicContact CE1-CB 3.97Å; Q192-W211 WeakPolarHBondContact CG-O 3.43Å; Q192-I216 HydrophobicContact CB-CD1 4.2Å; Q192-I216 HydrophobicContact CG-CD1 3.55Å
193R91.9Very high87.2Confident66 Ų6660.9 Ų60.925%0.24934%0.335CS..EExtended strand (participates in β ladder)trans-146.6133.7177.3179-176162.9-170.7-2.4109.1K181 F183 E195 V209 C210 W211K181-R193 PolarHBondContact N-O 2.93Å; K181-R193 PolarHBondContact O-N 2.75Å; F183-R193 HydrophobicContact CE1-CB 4.31Å; R193-E195 IonicContact CZ-OE2 3.59Å; R193-E195 IonicContact NH2-OE2 3.86Å; R193-E195 PolarHBondContact NH2-OE2 2.84Å; R193-V209 HydrophobicContact CG-CG1 3.8Å; R193-C210 CarbonylContact C-O 3.56Å; R193-C210 WeakPolarHBondContact CA-O 3.45Å; R193-W211 HydrophobicContact CB-CE3 3.83Å; R193-W211 HydrophobicContact CB-CH2 4.47Å; R193-W211 HydrophobicContact CB-CZ3 3.77Å; R193-W211 HydrophobicContact CG-CD2 4.48Å; R193-W211 HydrophobicContact CG-CE3 4.11Å; R193-W211 HydrophobicContact CG-CH2 4.22Å; R193-W211 HydrophobicContact CG-CZ3 3.99Å
194L93.1Very high86.8Confident1 Ų160.5 Ų60.51%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-123.8145.5166-172.4146.8000109.1I177 A178 P180 V196 C210 I216 V219 Q220I177-L194 HydrophobicContact CG2-CD1 4.01Å; I177-L194 HydrophobicContact CG2-CD2 3.84Å; I177-L194 HydrophobicContact CG2-CG 4.43Å; A178-L194 VanDerWaalsContact O-CD1 3.27Å; A178-L194 WeakPolarHBondContact O-CD1 3.42Å; A178-L194 WeakPolarHBondContact O-CG 3.4Å; P180-L194 HydrophobicContact CG-CD1 3.97Å; L194-V196 HydrophobicContact CD2-CG2 3.45Å; L194-V196 VanDerWaalsContact CD2-CG2 3.45Å; L194-C210 PolarHBondContact N-O 2.84Å; L194-C210 PolarHBondContact O-N 3.29Å; L194-I216 HydrophobicContact CB-CD1 4.17Å; L194-I216 HydrophobicContact CB-CG1 3.86Å; L194-I216 HydrophobicContact CB-CG2 4.22Å; L194-I216 HydrophobicContact CD1-CG2 4.13Å; L194-V219 HydrophobicContact CD2-CG2 3.77Å; L194-Q220 HydrophobicContact CD1-CG 3.75Å
195E94.6Very high86.7Confident41 Ų4158 Ų5819%0.19233%0.326CS..EExtended strand (participates in β ladder)trans-116.5130.3173.9-172.9167113.500109.9A178 R193 P207 L208 R242A178-E195 HydrophobicContact CB-CB 4.39Å; A178-E195 VanDerWaalsContact CB-O 3.23Å; A178-E195 WeakPolarHBondContact CB-O 3.34Å; A178-E195 PolarHBondContact N-O 3.25Å; R193-E195 IonicContact CZ-OE2 3.59Å; R193-E195 IonicContact NH2-OE2 3.86Å; R193-E195 PolarHBondContact NH2-OE2 2.84Å; E195-P207 HydrophobicContact CG-CB 4.39Å; E195-L208 CarbonylContact C-O 3.5Å; E195-L208 WeakPolarHBondContact CA-O 3.5Å; E195-R242 IonicContact OE1-NH1 3.53Å; E195-R242 PolarHBondContact OE1-NH1 2.74Å; E195-R242 IonicContact OE2-CZ 3.93Å; E195-R242 IonicContact OE2-NH1 2.87Å; E195-R242 PolarHBondContact OE2-NH1 3.15Å; E195-R242 IonicContact OE2-NH2 3.86Å; E195-R242 PolarHBondContact OE2-NH2 2.69Å
196V94.8Very high87.2Confident0 Ų055.9 Ų55.90%031%0.313CS..EExtended strand (participates in β ladder)trans-109.6130.8173.4-175.50000107.2V174 I177 L194 L198 L208 V219V174-V196 HydrophobicContact CG1-CG1 3.86Å; I177-V196 HydrophobicContact CG1-CG1 4.24Å; I177-V196 HydrophobicContact CG1-CG2 4.48Å; L194-V196 HydrophobicContact CD2-CG2 3.45Å; L194-V196 VanDerWaalsContact CD2-CG2 3.45Å; V196-L198 HydrophobicContact CG1-CD2 3.98Å; V196-L208 HydrophobicContact CB-CB 4.3Å; V196-L208 HydrophobicContact CB-CD2 4.4Å; V196-L208 PolarHBondContact N-O 2.81Å; V196-L208 PolarHBondContact O-N 3.12Å; V196-V219 HydrophobicContact CG2-CB 3.97Å; V196-V219 HydrophobicContact CG2-CG1 4.29Å; V196-V219 HydrophobicContact CG2-CG2 3.97Å
197K92.6Very high87.8Confident47 Ų4750.8 Ų50.820%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-85.9125167.5-68.5-172.5179.6-176.10108.1R175 S176 D283R175-K197 WeakPolarHBondContact CA-O 3.28Å; R175-K197 HydrophobicContact CB-CB 3.99Å; R175-K197 VanDerWaalsContact CB-O 3.26Å; R175-K197 WeakPolarHBondContact CB-O 3.4Å; R175-K197 PolarHBondContact N-O 3.1Å; S176-K197 PolarHBondContact N-O 3.27Å; S176-K197 PolarHBondContact O-N 3.24Å; K197-D283 PolarHBondContact NZ-O 2.98Å; K197-D283 VanDerWaalsContact NZ-O 3.13Å
198L96.1Very high88.5Confident0 Ų046.4 Ų46.40%025%0.246CC..EExtended strand (participates in β ladder)trans-101.4159.7173.3-57.3179000110.1L153 A172 A173 V196 S205 F206 L208 L229 I231L153-L198 HydrophobicContact CD1-CB 4.31Å; A172-L198 HydrophobicContact CB-CB 3.87Å; A172-L198 HydrophobicContact CB-CD1 4.13Å; A172-L198 HydrophobicContact CB-CG 4.42Å; A173-L198 CarbonylContact O-C 3.6Å; A173-L198 VanDerWaalsContact O-CA 3.27Å; A173-L198 WeakPolarHBondContact O-CA 3.49Å; V196-L198 HydrophobicContact CG1-CD2 3.98Å; L198-S205 CarbonylContact O-C 3.45Å; L198-S205 VanDerWaalsContact O-CA 3.32Å; L198-S205 WeakPolarHBondContact O-CA 3.4Å; L198-F206 HydrophobicContact CB-CB 4.4Å; L198-F206 PolarHBondContact N-O 3.48Å; L198-F206 PolarHBondContact O-N 2.91Å; L198-L208 HydrophobicContact CD1-CB 3.8Å; L198-L208 HydrophobicContact CD1-CD2 4.23Å; L198-L208 HydrophobicContact CD1-CG 4.44Å; L198-L208 HydrophobicContact CD2-CD2 4.47Å; L198-L208 HydrophobicContact CG-CB 3.99Å; L198-L229 HydrophobicContact CD2-CD1 4.22Å; L198-I231 HydrophobicContact CD1-CD1 3.7Å
199F90.3Very high89.4Confident1 Ų144.1 Ų44.10%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-152.4157.9172.878.4-75.8000111.7A173 R175 V203 T204 Y270 A271 L280A173-F199 HydrophobicContact CB-CD1 3.76Å; A173-F199 HydrophobicContact CB-CE1 3.38Å; A173-F199 HydrophobicContact CB-CE2 4.28Å; A173-F199 HydrophobicContact CB-CG 4.4Å; A173-F199 HydrophobicContact CB-CZ 3.68Å; A173-F199 PolarHBondContact N-O 3.19Å; A173-F199 WeakPolarHBondContact O-CD1 3.39Å; A173-F199 PolarHBondContact O-N 3.18Å; R175-F199 HydrophobicContact CB-CB 4.45Å; R175-F199 HydrophobicContact CB-CD1 3.62Å; R175-F199 HydrophobicContact CB-CE1 4.25Å; R175-F199 HydrophobicContact CB-CG 4.37Å; R175-F199 HydrophobicContact CG-CD1 4.26Å; F199-V203 VanDerWaalsContact CA-O 3.28Å; F199-V203 WeakPolarHBondContact CA-O 3.32Å; F199-V203 WeakPolarHBondContact CB-O 3.26Å; F199-T204 WeakPolarHBondContact CB-O 3.34Å; F199-Y270 HydrophobicContact CD2-CE1 4.18Å; F199-Y270 HydrophobicContact CE2-CD1 4.38Å; F199-Y270 HydrophobicContact CE2-CE1 4.02Å; F199-A271 HydrophobicContact CE1-CB 4.46Å; F199-A271 HydrophobicContact CE2-CB 4.13Å; F199-A271 HydrophobicContact CZ-CB 3.56Å; F199-L280 HydrophobicContact CD2-CD1 4.26Å; F199-L280 HydrophobicContact CD2-CD2 3.92Å; F199-L280 HydrophobicContact CE1-CD1 4.07Å; F199-L280 HydrophobicContact CE2-CD1 3.56Å; F199-L280 HydrophobicContact CE2-CD2 4.07Å; F199-L280 HydrophobicContact CE2-CG 4.4Å; F199-L280 HydrophobicContact CG-CD2 4.24Å; F199-L280 HydrophobicContact CZ-CD1 3.42Å; F199-L280 VanDerWaalsContact CZ-CD1 3.42Å; F199-L280 HydrophobicContact CZ-CD2 4.48Å
200D90.6Very high90.1Very high4 Ų435.9 Ų35.92%0.02119%0.19CC..  trans-142.1-163.9169.866.311000110.1L153 S202 V203 L267 Y270L153-D200 VanDerWaalsContact CB-OD2 3.26Å; L153-D200 WeakPolarHBondContact CB-OD2 3.35Å; L153-D200 HydrophobicContact CD1-CB 4.19Å; L153-D200 HydrophobicContact CG-CB 4.46Å; L153-D200 VanDerWaalsContact CG-OD2 3.3Å; L153-D200 WeakPolarHBondContact CG-OD2 3.44Å; L153-D200 PolarHBondContact N-OD2 3.05Å; D200-S202 VanDerWaalsContact CG-OG 3.27Å; D200-S202 PolarHBondContact O-N 2.82Å; D200-S202 WeakPolarHBondContact OD1-CA 3.05Å; D200-S202 WeakPolarHBondContact OD1-CB 3.39Å; D200-S202 PolarHBondContact OD1-N 3.07Å; D200-S202 PolarHBondContact OD1-OG 2.87Å; D200-S202 PolarHBondContact OD2-OG 3.22Å; D200-V203 PolarHBondContact N-O 3.16Å; D200-V203 PolarHBondContact OD1-N 3.18Å; D200-L267 HydrophobicContact CB-CD1 4.03Å; D200-Y270 VanDerWaalsContact O-CE1 3.31Å; D200-Y270 WeakPolarHBondContact O-CE1 3.26Å; D200-Y270 PolarHBondContact O-OH 3.36Å
201D81.8Confident90.5Very high120 Ų12031.9 Ų31.964%0.64217%0.17SC*.SBendtrans-70.8-17.1176.861.4-22.2000113.7Y270D201-Y270 HydrophobicContact CB-CE1 4.24Å; D201-Y270 HydrophobicContact CB-CE2 4.28Å
202S81.9Confident90.6Very high61 Ų6133.3 Ų33.343%0.42717%0.173SC..SBendtrans-101-33.5-177.773.50000113.6G154 D200G154-S202 VanDerWaalsContact CA-OG 3.26Å; G154-S202 WeakPolarHBondContact CA-OG 3.41Å; G154-S202 PolarHBondContact N-OG 2.88Å; D200-S202 VanDerWaalsContact CG-OG 3.27Å; D200-S202 PolarHBondContact O-N 2.82Å; D200-S202 WeakPolarHBondContact OD1-CA 3.05Å; D200-S202 WeakPolarHBondContact OD1-CB 3.39Å; D200-S202 PolarHBondContact OD1-N 3.07Å; D200-S202 PolarHBondContact OD1-OG 2.87Å; D200-S202 PolarHBondContact OD2-OG 3.22Å
203V82.3Confident90.6Very high24 Ų2435.1 Ų35.115%0.14518%0.178CC..  trans-135125.8-175.4176.20000109.9L153 V157 F199 D200 S205 F206L153-V203 HydrophobicContact CB-CB 3.74Å; L153-V203 HydrophobicContact CB-CG1 4.43Å; L153-V203 HydrophobicContact CB-CG2 3.86Å; L153-V203 HydrophobicContact CD1-CB 4.38Å; V157-V203 HydrophobicContact CG2-CG2 4.14Å; F199-V203 VanDerWaalsContact CA-O 3.28Å; F199-V203 WeakPolarHBondContact CA-O 3.32Å; F199-V203 WeakPolarHBondContact CB-O 3.26Å; D200-V203 PolarHBondContact N-O 3.16Å; D200-V203 PolarHBondContact OD1-N 3.18Å; V203-S205 WeakPolarHBondContact CG1-O 3.38Å; V203-F206 HydrophobicContact CG1-CB 4.26Å
204T77.4Confident90.5Very high72 Ų7232.3 Ų32.344%0.44217%0.168SC..SBendtrans-77.5-25.2-17964.30000113.1R175 F199R175-T204 VanDerWaalsContact CD-O 3.27Å; R175-T204 WeakPolarHBondContact CD-O 3.18Å; R175-T204 VanDerWaalsContact NH1-C 3.28Å; R175-T204 PolarHBondContact NH1-O 2.81Å; F199-T204 WeakPolarHBondContact CB-O 3.34Å
205S85.9Confident90.5Very high43 Ų4332.8 Ų32.830%0.30117%0.172SC..  trans-150.4118.6-179.3177.20000111.9L198 V203L198-S205 CarbonylContact O-C 3.45Å; L198-S205 VanDerWaalsContact O-CA 3.32Å; L198-S205 WeakPolarHBondContact O-CA 3.4Å; V203-S205 WeakPolarHBondContact CG1-O 3.38Å
206F92.1Very high90.4Very high3 Ų330.9 Ų30.91%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-131.8124.2176.4-172.7-87.3000110.7L153 I156 V157 L198 V203 L208 M245 A247L153-F206 HydrophobicContact CD1-CB 3.78Å; L153-F206 HydrophobicContact CD1-CG 4.43Å; L153-F206 HydrophobicContact CD2-CB 3.99Å; L153-F206 HydrophobicContact CD2-CD1 3.8Å; L153-F206 HydrophobicContact CD2-CD2 4.19Å; L153-F206 HydrophobicContact CD2-CE1 4.31Å; L153-F206 HydrophobicContact CD2-CG 3.73Å; L153-F206 HydrophobicContact CG-CB 4.33Å; L153-F206 HydrophobicContact CG-CG 4.49Å; I156-F206 HydrophobicContact CB-CE2 4.27Å; I156-F206 HydrophobicContact CD1-CZ 4.38Å; I156-F206 HydrophobicContact CG2-CE2 3.8Å; I156-F206 HydrophobicContact CG2-CZ 3.82Å; V157-F206 HydrophobicContact CG2-CD2 4.15Å; V157-F206 HydrophobicContact CG2-CE2 4.25Å; L198-F206 HydrophobicContact CB-CB 4.4Å; L198-F206 PolarHBondContact N-O 3.48Å; L198-F206 PolarHBondContact O-N 2.91Å; V203-F206 HydrophobicContact CG1-CB 4.26Å; F206-L208 PolarHBondContact O-N 2.64Å; F206-M245 HydrophobicContact CE2-CB 3.72Å; F206-M245 HydrophobicContact CZ-CB 4.17Å; F206-A247 HydrophobicContact CE1-CB 3.67Å; F206-A247 HydrophobicContact CZ-CB 4.49Å
207P94.3Very high90.1Very high13 Ų1333.9 Ų33.98%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-79.1123-174.529-31.6000112.6E195 M245 T246 A247E195-P207 HydrophobicContact CG-CB 4.39Å; P207-M245 WeakPolarHBondContact CD-O 3.3Å; P207-M245 WeakPolarHBondContact CG-O 3.46Å; P207-T246 WeakPolarHBondContact O-CA 3.47Å; P207-T246 PolarHBondContact O-OG1 3.37Å; P207-A247 PolarHBondContact O-N 2.85Å
208L97.6Very high89.9Confident0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-104.9124.8166177.673.4000109.9E195 V196 L198 F206 I231 A247 V249E195-L208 CarbonylContact C-O 3.5Å; E195-L208 WeakPolarHBondContact CA-O 3.5Å; V196-L208 HydrophobicContact CB-CB 4.3Å; V196-L208 HydrophobicContact CB-CD2 4.4Å; V196-L208 PolarHBondContact N-O 2.81Å; V196-L208 PolarHBondContact O-N 3.12Å; L198-L208 HydrophobicContact CD1-CB 3.8Å; L198-L208 HydrophobicContact CD1-CD2 4.23Å; L198-L208 HydrophobicContact CD1-CG 4.44Å; L198-L208 HydrophobicContact CD2-CD2 4.47Å; L198-L208 HydrophobicContact CG-CB 3.99Å; F206-L208 PolarHBondContact O-N 2.64Å; L208-I231 HydrophobicContact CD1-CD1 4.05Å; L208-I231 HydrophobicContact CD2-CD1 3.68Å; L208-I231 HydrophobicContact CG-CD1 4.45Å; L208-A247 CarbonylContact C-O 3.47Å; L208-A247 WeakPolarHBondContact CA-O 3.46Å; L208-A247 HydrophobicContact CD1-CB 3.57Å; L208-V249 HydrophobicContact CD1-CG2 3.84Å; L208-V249 HydrophobicContact CD2-CG2 4.25Å; L208-V249 HydrophobicContact CG-CG2 4.15Å
209V96.5Very high89.5Confident6 Ų633.1 Ų33.14%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-105.8126.8179.5-174.70000111R193 W211 A247 T248 V249R193-V209 HydrophobicContact CG-CG1 3.8Å; V209-W211 HydrophobicContact CG1-CD2 4.32Å; V209-W211 HydrophobicContact CG1-CZ2 3.92Å; V209-A247 PolarHBondContact N-O 2.88Å; V209-T248 WeakPolarHBondContact O-CA 3.15Å; V209-V249 PolarHBondContact O-N 2.92Å
210C96.3Very high89.3Confident0 Ų037.6 Ų37.60%020%0.196CC..EExtended strand (participates in β ladder)trans-110.7130.6173.4-57.90000109.9R193 L194 A215 I216 V249R193-C210 CarbonylContact C-O 3.56Å; R193-C210 WeakPolarHBondContact CA-O 3.45Å; L194-C210 PolarHBondContact N-O 2.84Å; L194-C210 PolarHBondContact O-N 3.29Å; C210-A215 HydrophobicContact CB-CB 4.37Å; C210-I216 HydrophobicContact CB-CG1 3.75Å; C210-V249 VanDerWaalsContact SG-CG2 3.58Å
211W92.6Very high88.8Confident108 Ų10842.5 Ų42.541%0.40923%0.226SC..  trans-110.1-39.3178-61.297.6000112.5F183 Q192 R193 V209F183-W211 AromaticContact CE1-CE3 3.98Å; F183-W211 HydrophobicContact CE1-CE3 3.98Å; F183-W211 AromaticContact CE1-CZ3 3.67Å; F183-W211 HydrophobicContact CE1-CZ3 3.67Å; F183-W211 AromaticContact CZ-CE3 3.99Å; F183-W211 HydrophobicContact CZ-CE3 3.99Å; F183-W211 AromaticContact CZ-CZ3 3.74Å; F183-W211 HydrophobicContact CZ-CZ3 3.74Å; Q192-W211 WeakPolarHBondContact CG-O 3.43Å; R193-W211 HydrophobicContact CB-CE3 3.83Å; R193-W211 HydrophobicContact CB-CH2 4.47Å; R193-W211 HydrophobicContact CB-CZ3 3.77Å; R193-W211 HydrophobicContact CG-CD2 4.48Å; R193-W211 HydrophobicContact CG-CE3 4.11Å; R193-W211 HydrophobicContact CG-CH2 4.22Å; R193-W211 HydrophobicContact CG-CZ3 3.99Å; V209-W211 HydrophobicContact CG1-CD2 4.32Å; V209-W211 HydrophobicContact CG1-CZ2 3.92Å
212D89.9Confident89Confident52 Ų5237.5 Ų37.528%0.27820%0.199SC..SBendtrans-76.1143.9-175.4-55.5-69.9000111.6E214 A215 I216D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 2.9Å; D212-A215 PolarHBondContact O-N 2.77Å; D212-I216 VanDerWaalsContact O-CG1 3.3Å; D212-I216 WeakPolarHBondContact O-CG1 3.16Å; D212-I216 PolarHBondContact O-N 2.9Å
213R90.6Very high88.8Confident76 Ų7639.1 Ų39.129%0.28720%0.202SC..Hα-helixtrans-56.8-44-178.5-173.1-175.1119.7-1803.2112.3D34 N79 I216 Q217D34-R213 VanDerWaalsContact CG-N 3.34Å; D34-R213 WeakPolarHBondContact OD1-CB 3.46Å; D34-R213 PolarHBondContact OD1-N 3.48Å; D34-R213 PolarHBondContact OD2-N 3.28Å; N79-R213 PolarHBondContact OD1-NH1 3.32Å; N79-R213 PolarHBondContact OD1-NH2 2.91Å; R213-I216 PolarHBondContact O-N 2.76Å; R213-Q217 HydrophobicContact CG-CG 4.45Å; R213-Q217 WeakPolarHBondContact O-CB 3.17Å; R213-Q217 WeakPolarHBondContact O-CG 3.24Å; R213-Q217 PolarHBondContact O-N 2.74Å
214E90.1Very high88.8Confident6 Ų640.4 Ų40.43%0.02821%0.211CC..Hα-helixtrans-67.4-41.2-174.5-59-60.2146.700111.8K32 D34 D212 Q217 L218K32-E214 HydrophobicContact CB-CB 4.3Å; K32-E214 HydrophobicContact CB-CG 4.23Å; K32-E214 HydrophobicContact CD-CG 4.08Å; K32-E214 VanDerWaalsContact CD-OE2 3.27Å; K32-E214 WeakPolarHBondContact CD-OE2 3.39Å; K32-E214 VanDerWaalsContact CE-CD 3.41Å; K32-E214 VanDerWaalsContact CE-OE2 3.31Å; K32-E214 WeakPolarHBondContact CE-OE2 3.27Å; K32-E214 HydrophobicContact CG-CG 3.94Å; K32-E214 IonicContact NZ-OE1 3Å; K32-E214 PolarHBondContact NZ-OE1 2.86Å; K32-E214 IonicContact NZ-OE2 2.85Å; K32-E214 PolarHBondContact NZ-OE2 2.98Å; D34-E214 PolarHBondContact OD1-N 3.43Å; D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 2.9Å; E214-Q217 PolarHBondContact O-N 3.29Å; E214-L218 PolarHBondContact O-N 3.03Å; E214-L218 VanDerWaalsContact O-N 3.07Å
215A91.9Very high88.8Confident11 Ų1138.9 Ų38.99%0.09120%0.197CC..Hα-helixtrans-65.6-42.7174.400000111.6C210 D212 L218 V219 V249C210-A215 HydrophobicContact CB-CB 4.37Å; D212-A215 PolarHBondContact O-N 2.77Å; A215-L218 PolarHBondContact O-N 3.11Å; A215-V219 WeakPolarHBondContact O-CG1 3.39Å; A215-V219 WeakPolarHBondContact O-CG2 3.26Å; A215-V219 PolarHBondContact O-N 3.4Å; A215-V249 HydrophobicContact CB-CG1 3.82Å
216I92.6Very high88.5Confident2 Ų242.3 Ų42.31%0.0121%0.209CC..Hα-helixtrans-60.4-46.8176.8-70.1172.5000110.7Q192 L194 C210 D212 R213 L218 V219 Q220Q192-I216 HydrophobicContact CB-CD1 4.2Å; Q192-I216 HydrophobicContact CG-CD1 3.55Å; L194-I216 HydrophobicContact CB-CD1 4.17Å; L194-I216 HydrophobicContact CB-CG1 3.86Å; L194-I216 HydrophobicContact CB-CG2 4.22Å; L194-I216 HydrophobicContact CD1-CG2 4.13Å; C210-I216 HydrophobicContact CB-CG1 3.75Å; D212-I216 VanDerWaalsContact O-CG1 3.3Å; D212-I216 WeakPolarHBondContact O-CG1 3.16Å; D212-I216 PolarHBondContact O-N 2.9Å; R213-I216 PolarHBondContact O-N 2.76Å; I216-L218 VanDerWaalsContact C-N 3.31Å; I216-L218 PolarHBondContact O-N 2.76Å; I216-V219 WeakPolarHBondContact O-CG2 3.47Å; I216-V219 PolarHBondContact O-N 3.31Å; I216-Q220 HydrophobicContact CG2-CG 4.31Å; I216-Q220 WeakPolarHBondContact O-CB 3.5Å; I216-Q220 VanDerWaalsContact O-CG 3.23Å; I216-Q220 WeakPolarHBondContact O-CG 3.29Å; I216-Q220 PolarHBondContact O-N 3.06Å
217Q88.8Confident88.2Confident63 Ų6342.6 Ų42.629%0.29421%0.21SC..Hα-helixtrans-60.8-40.1177.7-76.2-178.5-16.100112.2R213 E214R213-Q217 HydrophobicContact CG-CG 4.45Å; R213-Q217 WeakPolarHBondContact O-CB 3.17Å; R213-Q217 WeakPolarHBondContact O-CG 3.24Å; R213-Q217 PolarHBondContact O-N 2.74Å; E214-Q217 PolarHBondContact O-N 3.29Å
218L87.9Confident88.2Confident30 Ų3042 Ų4216%0.15721%0.207CC..Hα-helixtrans-64.1-49.8174.9177.264.8000111.6I83 E214 A215 I216 Q220 T221 I255 V257I83-L218 HydrophobicContact CD1-CD2 4.22Å; E214-L218 PolarHBondContact O-N 3.03Å; E214-L218 VanDerWaalsContact O-N 3.07Å; A215-L218 PolarHBondContact O-N 3.11Å; I216-L218 VanDerWaalsContact C-N 3.31Å; I216-L218 PolarHBondContact O-N 2.76Å; L218-Q220 VanDerWaalsContact C-N 3.26Å; L218-Q220 PolarHBondContact O-N 3.05Å; L218-T221 PolarHBondContact O-N 3.13Å; L218-T221 PolarHBondContact O-OG1 2.86Å; L218-I255 HydrophobicContact CD2-CB 3.91Å; L218-I255 HydrophobicContact CD2-CD1 4.45Å; L218-I255 HydrophobicContact CD2-CG2 4.21Å; L218-V257 HydrophobicContact CD1-CG2 4.19Å
219V88.7Confident88.2Confident0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-69.7-24.8-175.4-60.80000113.1I177 L194 V196 A215 I216 T221 L222 I255I177-V219 VanDerWaalsContact CD1-O 3.23Å; I177-V219 WeakPolarHBondContact CD1-O 3.45Å; L194-V219 HydrophobicContact CD2-CG2 3.77Å; V196-V219 HydrophobicContact CG2-CB 3.97Å; V196-V219 HydrophobicContact CG2-CG1 4.29Å; V196-V219 HydrophobicContact CG2-CG2 3.97Å; A215-V219 WeakPolarHBondContact O-CG1 3.39Å; A215-V219 WeakPolarHBondContact O-CG2 3.26Å; A215-V219 PolarHBondContact O-N 3.4Å; I216-V219 WeakPolarHBondContact O-CG2 3.47Å; I216-V219 PolarHBondContact O-N 3.31Å; V219-T221 VanDerWaalsContact C-N 3.29Å; V219-T221 PolarHBondContact O-N 2.65Å; V219-L222 HydrophobicContact CB-CD1 4.07Å; V219-L222 HydrophobicContact CG1-CD1 4.18Å; V219-L222 WeakPolarHBondContact O-CB 3.36Å; V219-L222 WeakPolarHBondContact O-CG 3.47Å; V219-L222 PolarHBondContact O-N 3.44Å; V219-I255 HydrophobicContact CG1-CD1 4.14Å
220Q85.5Confident88.3Confident96 Ų9641.8 Ų41.845%0.44921%0.205SC..Hα-helixtrans-71.5-19.2176.8-76.7-176.3-63.200114L194 I216 L218 L222L194-Q220 HydrophobicContact CD1-CG 3.75Å; I216-Q220 HydrophobicContact CG2-CG 4.31Å; I216-Q220 WeakPolarHBondContact O-CB 3.5Å; I216-Q220 VanDerWaalsContact O-CG 3.23Å; I216-Q220 WeakPolarHBondContact O-CG 3.29Å; I216-Q220 PolarHBondContact O-N 3.06Å; L218-Q220 VanDerWaalsContact C-N 3.26Å; L218-Q220 PolarHBondContact O-N 3.05Å; Q220-L222 VanDerWaalsContact C-N 3.32Å
221T81.1Confident88.4Confident107 Ų10741.8 Ų41.866%0.65621%0.205SC*.THydrogen-bonded Turntrans-85.8-8.6176.163.90000112.9L218 V219L218-T221 PolarHBondContact O-N 3.13Å; L218-T221 PolarHBondContact O-OG1 2.86Å; V219-T221 VanDerWaalsContact C-N 3.29Å; V219-T221 PolarHBondContact O-N 2.65Å
222L84.1Confident88.6Confident15 Ų1536.7 Ų36.78%0.07919%0.186CC..  trans-76.3147.8-175.8-49.4178.1000110.8V174 I177 V219 Q220 P224 T227 L229 V257V174-L222 HydrophobicContact CG2-CD1 4.08Å; I177-L222 HydrophobicContact CD1-CB 4.16Å; I177-L222 WeakPolarHBondContact CD1-O 3.43Å; V219-L222 HydrophobicContact CB-CD1 4.07Å; V219-L222 HydrophobicContact CG1-CD1 4.18Å; V219-L222 WeakPolarHBondContact O-CB 3.36Å; V219-L222 WeakPolarHBondContact O-CG 3.47Å; V219-L222 PolarHBondContact O-N 3.44Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; L222-P224 WeakPolarHBondContact O-CD 3.44Å; L222-T227 HydrophobicContact CB-CG2 4.2Å; L222-T227 HydrophobicContact CD1-CG2 4.39Å; L222-T227 HydrophobicContact CD2-CG2 4.07Å; L222-T227 HydrophobicContact CG-CG2 4.42Å; L222-L229 HydrophobicContact CD1-CD1 3.95Å; L222-L229 HydrophobicContact CD1-CD2 3.86Å; L222-L229 HydrophobicContact CD1-CG 4.42Å; L222-V257 HydrophobicContact CD2-CG1 3.82Å; L222-V257 HydrophobicContact CD2-CG2 3.8Å
223I78.2Confident88.9Confident94 Ų9435.5 Ų35.548%0.48218%0.179SC..  trans-97.7112.8176.4-56.8175.6000107.6E226 T227I223-E226 HydrophobicContact CB-CB 4.22Å; I223-E226 HydrophobicContact CG2-CB 3.95Å; I223-E226 HydrophobicContact CG2-CG 4.1Å; I223-E226 PolarHBondContact O-N 2.82Å; I223-T227 PolarHBondContact N-OG1 3.38Å; I223-T227 VanDerWaalsContact N-OG1 3.16Å; I223-T227 WeakPolarHBondContact O-CB 3.29Å; I223-T227 PolarHBondContact O-N 2.96Å; I223-T227 PolarHBondContact O-OG1 3.43Å
224P83.2Confident89.2Confident52 Ų5231.9 Ų31.934%0.33817%0.166SC..THydrogen-bonded Turntrans-56.1143.3176.6-23.233.4000111.3V174 R175 I177 L222 E226V174-P224 HydrophobicContact CG1-CB 4.34Å; R175-P224 WeakPolarHBondContact O-CB 3.37Å; I177-P224 HydrophobicContact CD1-CG 3.94Å; I177-P224 HydrophobicContact CG1-CG 4.3Å; L222-P224 WeakPolarHBondContact O-CD 3.44Å; P224-E226 PolarHBondContact O-N 2.99Å; P224-E226 VanDerWaalsContact O-N 3.1Å
225R77.1Confident89.5Confident40 Ų4036.6 Ų36.615%0.15118%0.183CC..THydrogen-bonded Turntrans66.2-1.3179.8-51.5178.9-172.3-172.4-0.1115.8V174 S275 L280 H281V174-R225 WeakPolarHBondContact O-CA 3.46Å; V174-R225 PolarHBondContact O-N 3.11Å; R225-S275 VanDerWaalsContact CB-OG 3.28Å; R225-S275 WeakPolarHBondContact CB-OG 3.41Å; R225-S275 WeakPolarHBondContact CD-OG 3.49Å; R225-L280 HydrophobicContact CG-CD1 4.29Å; R225-L280 PolarHBondContact NH2-O 3.09Å; R225-L280 VanDerWaalsContact NH2-O 3.14Å; R225-H281 PolarHBondContact NH1-CD2 3.2Å; R225-H281 PolarHBondContact NH1-CE1 3.08Å; R225-H281 VanDerWaalsContact NH1-CE1 3.28Å; R225-H281 PolarHBondContact NH1-NE2 3.25Å
226E79.6Confident89.7Confident115 Ų11536 Ų3654%0.53718%0.179SC..THydrogen-bonded Turntrans-120.92.7174.6-61.7-175.8-169.500112.2I223 P224 F268I223-E226 HydrophobicContact CB-CB 4.22Å; I223-E226 HydrophobicContact CG2-CB 3.95Å; I223-E226 HydrophobicContact CG2-CG 4.1Å; I223-E226 PolarHBondContact O-N 2.82Å; P224-E226 PolarHBondContact O-N 2.99Å; P224-E226 VanDerWaalsContact O-N 3.1Å; E226-F268 WeakPolarHBondContact O-CE2 3.09Å
227T86.1Confident89.7Confident8 Ų836.6 Ų36.65%0.04919%0.185CC..  trans-122.3128.9-177.3-52.90000110.7A173 V174 L222 I223 L229 V257 N258A173-T227 WeakPolarHBondContact CA-O 2.95Å; V174-T227 HydrophobicContact CG2-CG2 4.2Å; V174-T227 PolarHBondContact N-O 2.65Å; L222-T227 HydrophobicContact CB-CG2 4.2Å; L222-T227 HydrophobicContact CD1-CG2 4.39Å; L222-T227 HydrophobicContact CD2-CG2 4.07Å; L222-T227 HydrophobicContact CG-CG2 4.42Å; I223-T227 PolarHBondContact N-OG1 3.38Å; I223-T227 VanDerWaalsContact N-OG1 3.16Å; I223-T227 WeakPolarHBondContact O-CB 3.29Å; I223-T227 PolarHBondContact O-N 2.96Å; I223-T227 PolarHBondContact O-OG1 3.43Å; T227-L229 HydrophobicContact CG2-CD2 3.84Å; T227-L229 HydrophobicContact CG2-CG 4.5Å; T227-V257 HydrophobicContact CG2-CG1 3.71Å; T227-N258 WeakPolarHBondContact CA-OD1 3.4Å
228V94Very high89.7Confident2 Ų236 Ų361%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-106.7138.4170.1175.70000109.3L171 A173 N258 P259 A264 L267 F268L171-V228 HydrophobicContact CD1-CG1 3.71Å; L171-V228 HydrophobicContact CG-CG1 4.47Å; A173-V228 HydrophobicContact CB-CG2 4.33Å; V228-N258 PolarHBondContact N-OD1 3.41Å; V228-N258 WeakPolarHBondContact O-CA 3.34Å; V228-N258 PolarHBondContact O-N 2.89Å; V228-N258 PolarHBondContact O-OD1 3.3Å; V228-P259 WeakPolarHBondContact O-CD 3.44Å; V228-A264 HydrophobicContact CG1-CB 3.91Å; V228-L267 HydrophobicContact CG1-CD2 3.99Å; V228-L267 HydrophobicContact CG2-CB 4.49Å; V228-L267 HydrophobicContact CG2-CG 4.25Å; V228-F268 HydrophobicContact CG2-CB 3.87Å
229L97.9Very high89.4Confident0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-119.3133.3-178.8-58.3-178.1000110.2L171 A172 V174 L198 L222 T227 I231 I255 V257L171-L229 WeakPolarHBondContact CA-O 3.26Å; A172-L229 PolarHBondContact N-O 3.13Å; A172-L229 PolarHBondContact O-N 3.27Å; V174-L229 HydrophobicContact CG2-CD1 3.58Å; V174-L229 HydrophobicContact CG2-CD2 4.42Å; V174-L229 HydrophobicContact CG2-CG 3.74Å; L198-L229 HydrophobicContact CD2-CD1 4.22Å; L222-L229 HydrophobicContact CD1-CD1 3.95Å; L222-L229 HydrophobicContact CD1-CD2 3.86Å; L222-L229 HydrophobicContact CD1-CG 4.42Å; T227-L229 HydrophobicContact CG2-CD2 3.84Å; T227-L229 HydrophobicContact CG2-CG 4.5Å; L229-I231 HydrophobicContact CB-CD1 4.47Å; L229-I231 HydrophobicContact CB-CG1 4.02Å; L229-I255 HydrophobicContact CB-CG2 4.45Å; L229-I255 HydrophobicContact CD1-CG2 4.29Å; L229-I255 HydrophobicContact CD2-CG2 3.89Å; L229-I255 HydrophobicContact CG-CG2 4.45Å; L229-V257 HydrophobicContact CD2-CB 4.29Å; L229-V257 HydrophobicContact CD2-CG1 4.3Å; L229-V257 HydrophobicContact CD2-CG2 3.91Å
230F98.1Very high88.8Confident1 Ų141.1 Ų41.10%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-102.5111.4158.7-173-83.2000108.4P143 K145 F150 N169 I170 L171 S232 T256 P259P143-F230 HydrophobicContact CB-CD1 3.8Å; P143-F230 HydrophobicContact CB-CE1 3.95Å; P143-F230 HydrophobicContact CB-CG 4.23Å; P143-F230 HydrophobicContact CB-CZ 4.49Å; P143-F230 HydrophobicContact CG-CB 4.42Å; P143-F230 HydrophobicContact CG-CD1 4.23Å; P143-F230 HydrophobicContact CG-CG 4.16Å; K145-F230 HydrophobicContact CB-CE1 4.04Å; K145-F230 HydrophobicContact CB-CZ 4.21Å; F150-F230 HydrophobicContact CB-CE2 4.04Å; F150-F230 HydrophobicContact CD1-CE2 4.27Å; N169-F230 HydrophobicContact CB-CE1 4.15Å; N169-F230 HydrophobicContact CB-CZ 3.86Å; I170-F230 CarbonylContact O-C 3.59Å; I170-F230 WeakPolarHBondContact O-CA 3.4Å; L171-F230 HydrophobicContact CB-CD2 4.29Å; L171-F230 HydrophobicContact CD1-CB 4.19Å; L171-F230 HydrophobicContact CD1-CD2 4.19Å; F230-S232 WeakPolarHBondContact CD1-OG 3.32Å; F230-S232 VanDerWaalsContact CE1-OG 3.29Å; F230-S232 WeakPolarHBondContact CE1-OG 3.19Å; F230-T256 PolarHBondContact N-O 3.44Å; F230-T256 PolarHBondContact O-N 2.8Å; F230-P259 HydrophobicContact CB-CB 4.17Å; F230-P259 HydrophobicContact CB-CG 3.87Å
231I98.1Very high88.1Confident0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-102.5103.6-175.4-50.8172.4000107.2N169 I170 L198 L208 L229 A234 T253 I255N169-I231 CarbonylContact C-O 3.45Å; N169-I231 VanDerWaalsContact CA-O 3.24Å; N169-I231 WeakPolarHBondContact CA-O 3.27Å; I170-I231 HydrophobicContact CB-CB 4.37Å; I170-I231 PolarHBondContact N-O 2.63Å; I170-I231 PolarHBondContact O-N 3.48Å; L198-I231 HydrophobicContact CD1-CD1 3.7Å; L208-I231 HydrophobicContact CD1-CD1 4.05Å; L208-I231 HydrophobicContact CD2-CD1 3.68Å; L208-I231 HydrophobicContact CG-CD1 4.45Å; L229-I231 HydrophobicContact CB-CD1 4.47Å; L229-I231 HydrophobicContact CB-CG1 4.02Å; I231-A234 HydrophobicContact CG2-CB 3.76Å; I231-T253 HydrophobicContact CG2-CG2 3.49Å; I231-T253 VanDerWaalsContact CG2-CG2 3.49Å; I231-I255 HydrophobicContact CG2-CG1 4.3Å
232S97.2Very high87.8Confident0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-82.2136.5179.2-55.50000110.5V144 N169 F230 A234 T253 I254V144-S232 VanDerWaalsContact CG2-OG 3.26Å; V144-S232 WeakPolarHBondContact CG2-OG 3.38Å; N169-S232 WeakPolarHBondContact OD1-CA 3.38Å; F230-S232 WeakPolarHBondContact CD1-OG 3.32Å; F230-S232 VanDerWaalsContact CE1-OG 3.29Å; F230-S232 WeakPolarHBondContact CE1-OG 3.19Å; S232-A234 VanDerWaalsContact C-N 3.33Å; S232-A234 PolarHBondContact O-N 3.32Å; S232-T253 VanDerWaalsContact O-CA 3.23Å; S232-T253 WeakPolarHBondContact O-CA 3.37Å; S232-T253 WeakPolarHBondContact O-CG2 3.49Å; S232-I254 PolarHBondContact N-O 2.75Å; S232-I254 PolarHBondContact O-N 2.78Å
233D95.8Very high87.4Confident27 Ų2746.9 Ų46.914%0.14423%0.234CC..EExtended strand (participates in β ladder)trans54.444.4176.9-61.6-39.1000113.4K145 V167 N169 K252 T253K145-D233 WeakPolarHBondContact CE-OD1 3.3Å; K145-D233 WeakPolarHBondContact CE-OD2 3.32Å; K145-D233 VanDerWaalsContact NZ-CG 3.34Å; K145-D233 IonicContact NZ-OD1 3.22Å; K145-D233 PolarHBondContact NZ-OD1 2.99Å; K145-D233 VanDerWaalsContact NZ-OD1 3.09Å; K145-D233 IonicContact NZ-OD2 2.63Å; K145-D233 PolarHBondContact NZ-OD2 2.65Å; V167-D233 VanDerWaalsContact CG1-CA 3.43Å; V167-D233 HydrophobicContact CG1-CB 3.6Å; N169-D233 PolarHBondContact OD1-N 2.77Å; D233-K252 HydrophobicContact CB-CB 4.47Å; D233-T253 PolarHBondContact O-OG1 3.11Å
234A96.5Very high87.6Confident0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-71.2135170.800000110.2V167 I168 I170 I231 S232 A247V167-A234 WeakPolarHBondContact CA-O 3.27Å; I168-A234 PolarHBondContact N-O 3.48Å; I168-A234 WeakPolarHBondContact O-CB 3.43Å; I168-A234 PolarHBondContact O-N 2.86Å; I170-A234 HydrophobicContact CD1-CB 3.83Å; I170-A234 HydrophobicContact CG1-CB 4.24Å; I231-A234 HydrophobicContact CG2-CB 3.76Å; S232-A234 VanDerWaalsContact C-N 3.33Å; S232-A234 PolarHBondContact O-N 3.32Å; A234-A247 HydrophobicContact CB-CB 4.42Å
235R96.3Very high87.9Confident105 Ų10542.2 Ų42.240%0.39621%0.21SC..EExtended strand (participates in β ladder)trans-83.5123.7173.5178.1175.1175.9163.9-1.9109.8T166 A247 T248T166-R235 WeakPolarHBondContact O-CA 3.12Å; R235-A247 CarbonylContact O-C 3.51Å; R235-A247 WeakPolarHBondContact O-CA 3.46Å; R235-T248 PolarHBondContact N-O 2.97Å; R235-T248 PolarHBondContact O-N 2.64Å
236I96.5Very high88.7Confident0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-87.8141.8172.8-56.5-52.1000109.8I156 L163 R165 T166 I168 I170 M245 T246 A247I156-I236 HydrophobicContact CD1-CD1 4.26Å; I156-I236 HydrophobicContact CG2-CD1 4.36Å; I156-I236 HydrophobicContact CG2-CG2 3.98Å; L163-I236 HydrophobicContact CB-CG2 4.03Å; R165-I236 VanDerWaalsContact CA-O 3.3Å; R165-I236 WeakPolarHBondContact CA-O 3.05Å; R165-I236 PolarHBondContact N-O 3.47Å; T166-I236 PolarHBondContact O-N 2.88Å; I168-I236 HydrophobicContact CD1-CD1 3.79Å; I168-I236 HydrophobicContact CD1-CG1 3.38Å; I168-I236 HydrophobicContact CG1-CD1 3.91Å; I168-I236 HydrophobicContact CG1-CG1 3.57Å; I170-I236 HydrophobicContact CD1-CD1 3.9Å; I236-M245 HydrophobicContact CG2-CE 3.23Å; I236-T246 WeakPolarHBondContact CA-O 3.24Å; I236-A247 HydrophobicContact CD1-CB 4.02Å
237G93.5Very high89.6Confident13 Ų1335.4 Ų35.413%0.13418%0.181CC..EExtended strand (participates in β ladder)trans-146.7159.5171.800000111.7D164 T246D164-G237 VanDerWaalsContact OD1-CA 3.24Å; D164-G237 WeakPolarHBondContact OD1-CA 3.39Å; G237-T246 PolarHBondContact N-O 3.15Å; G237-T246 PolarHBondContact O-N 2.75Å
238F87.8Confident90.1Very high52 Ų5236.6 Ų36.623%0.22819%0.188CC..EExtended strand (participates in β ladder)trans-95.7120.4169-172.8-106.4000110.3Q161 D164 S240 N243 M245Q161-F238 HydrophobicContact CG-CB 3.99Å; Q161-F238 HydrophobicContact CG-CD1 3.94Å; Q161-F238 HydrophobicContact CG-CD2 3.77Å; Q161-F238 HydrophobicContact CG-CE1 4.3Å; Q161-F238 HydrophobicContact CG-CE2 4.14Å; Q161-F238 HydrophobicContact CG-CG 3.63Å; Q161-F238 HydrophobicContact CG-CZ 4.36Å; D164-F238 PolarHBondContact OD1-N 3.23Å; F238-S240 PolarHBondContact O-N 3.02Å; F238-N243 VanDerWaalsContact CZ-OD1 3.23Å; F238-N243 WeakPolarHBondContact CZ-OD1 3.45Å; F238-M245 HydrophobicContact CB-SD 4.2Å; F238-M245 HydrophobicContact CD2-SD 3.6Å; F238-M245 VanDerWaalsContact CD2-SD 3.6Å; F238-M245 HydrophobicContact CE2-SD 4.5Å; F238-M245 HydrophobicContact CG-SD 4.4Å
239D81.8Confident90.2Very high35 Ų3536.8 Ų36.819%0.18719%0.189CC..EExtended strand (participates in β ladder)trans-8399.7171.7-170.5-33.5000108.8F241 R242 N243 C244 T246D239-F241 PolarHBondContact O-N 3.02Å; D239-F241 WeakPolarHBondContact OD1-CA 3.11Å; D239-F241 WeakPolarHBondContact OD1-CB 3.42Å; D239-F241 PolarHBondContact OD1-N 3.36Å; D239-R242 HydrophobicContact CB-CB 4.31Å; D239-R242 CarbonylContact O-C 3.57Å; D239-R242 PolarHBondContact O-N 3.26Å; D239-R242 PolarHBondContact OD1-N 3.26Å; D239-R242 IonicContact OD2-CZ 3.16Å; D239-R242 IonicContact OD2-NE 2.8Å; D239-R242 PolarHBondContact OD2-NE 2.88Å; D239-R242 IonicContact OD2-NH2 2.94Å; D239-R242 PolarHBondContact OD2-NH2 2.63Å; D239-N243 VanDerWaalsContact O-CA 3.24Å; D239-N243 WeakPolarHBondContact O-CA 3.38Å; D239-N243 PolarHBondContact O-N 3.33Å; D239-C244 PolarHBondContact N-O 3.38Å; D239-C244 PolarHBondContact O-N 2.92Å; D239-T246 HydrophobicContact CB-CG2 4.35Å
240S76.8Confident89.8Confident101 Ų10138.5 Ų38.571%0.70620%0.198SC*.THydrogen-bonded Turntrans-65.9-22.2-18061.20000113.6F238F238-S240 PolarHBondContact O-N 3.02Å
241F69.6Low89.4Confident137 Ų13740.3 Ų40.360%0.60121%0.211SC*.THydrogen-bonded Turntrans-80.2-36.2178.1176.6-97.8000111.5D239D239-F241 PolarHBondContact O-N 3.02Å; D239-F241 WeakPolarHBondContact OD1-CA 3.11Å; D239-F241 WeakPolarHBondContact OD1-CB 3.42Å; D239-F241 PolarHBondContact OD1-N 3.36Å
242R74.9Confident89.1Confident84 Ų8443.3 Ų43.332%0.31722%0.224SC..THydrogen-bonded Turntrans-95.60.1174.9-68.6-177.2-74.3179.3-1.6113.7E195 D239 C244E195-R242 IonicContact OE1-NH1 3.53Å; E195-R242 PolarHBondContact OE1-NH1 2.74Å; E195-R242 IonicContact OE2-CZ 3.93Å; E195-R242 IonicContact OE2-NH1 2.87Å; E195-R242 PolarHBondContact OE2-NH1 3.15Å; E195-R242 IonicContact OE2-NH2 3.86Å; E195-R242 PolarHBondContact OE2-NH2 2.69Å; D239-R242 HydrophobicContact CB-CB 4.31Å; D239-R242 CarbonylContact O-C 3.57Å; D239-R242 PolarHBondContact O-N 3.26Å; D239-R242 PolarHBondContact OD1-N 3.26Å; D239-R242 IonicContact OD2-CZ 3.16Å; D239-R242 IonicContact OD2-NE 2.8Å; D239-R242 PolarHBondContact OD2-NE 2.88Å; D239-R242 IonicContact OD2-NH2 2.94Å; D239-R242 PolarHBondContact OD2-NH2 2.63Å; R242-C244 VanDerWaalsContact CB-SG 3.58Å; R242-C244 PolarHBondContact O-N 2.75Å
243N76.7Confident89Confident119 Ų11944 Ų4464%0.63623%0.229SC*.THydrogen-bonded Turntrans47.342.9-175.6-16449.3000112.8F238 D239F238-N243 VanDerWaalsContact CZ-OD1 3.23Å; F238-N243 WeakPolarHBondContact CZ-OD1 3.45Å; D239-N243 VanDerWaalsContact O-CA 3.24Å; D239-N243 WeakPolarHBondContact O-CA 3.38Å; D239-N243 PolarHBondContact O-N 3.33Å
244C83Confident89.1Confident39 Ų3943 Ų4326%0.26422%0.223SC..EExtended strand (participates in β ladder)trans-143.2158.1-174.472.30000113D239 R242D239-C244 PolarHBondContact N-O 3.38Å; D239-C244 PolarHBondContact O-N 2.92Å; R242-C244 VanDerWaalsContact CB-SG 3.58Å; R242-C244 PolarHBondContact O-N 2.75Å
245M88.9Confident89.1Confident9 Ų943.7 Ų43.74%0.04423%0.227CC..EExtended strand (participates in β ladder)trans-73.4143.6171.8-62.6-53.1-63.800110.4I156 G160 L163 F206 P207 I236 F238I156-M245 HydrophobicContact CG2-CB 4.16Å; I156-M245 HydrophobicContact CG2-CE 4.37Å; I156-M245 HydrophobicContact CG2-CG 4.4Å; G160-M245 WeakPolarHBondContact O-CE 3.33Å; G160-M245 VanDerWaalsContact O-SD 3.35Å; L163-M245 HydrophobicContact CB-CE 4.36Å; F206-M245 HydrophobicContact CE2-CB 3.72Å; F206-M245 HydrophobicContact CZ-CB 4.17Å; P207-M245 WeakPolarHBondContact CD-O 3.3Å; P207-M245 WeakPolarHBondContact CG-O 3.46Å; I236-M245 HydrophobicContact CG2-CE 3.23Å; F238-M245 HydrophobicContact CB-SD 4.2Å; F238-M245 HydrophobicContact CD2-SD 3.6Å; F238-M245 VanDerWaalsContact CD2-SD 3.6Å; F238-M245 HydrophobicContact CE2-SD 4.5Å; F238-M245 HydrophobicContact CG-SD 4.4Å
246T94Very high89.1Confident12 Ų1239 Ų397%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-139.2144.6177-171.20000110.8P207 I236 G237 D239P207-T246 WeakPolarHBondContact O-CA 3.47Å; P207-T246 PolarHBondContact O-OG1 3.37Å; I236-T246 WeakPolarHBondContact CA-O 3.24Å; G237-T246 PolarHBondContact N-O 3.15Å; G237-T246 PolarHBondContact O-N 2.75Å; D239-T246 HydrophobicContact CB-CG2 4.35Å
247A97.4Very high89Confident0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans-95.4145.9167.100000109.8I170 F206 P207 L208 V209 A234 R235 I236I170-A247 HydrophobicContact CD1-CB 3.62Å; F206-A247 HydrophobicContact CE1-CB 3.67Å; F206-A247 HydrophobicContact CZ-CB 4.49Å; P207-A247 PolarHBondContact O-N 2.85Å; L208-A247 CarbonylContact C-O 3.47Å; L208-A247 WeakPolarHBondContact CA-O 3.46Å; L208-A247 HydrophobicContact CD1-CB 3.57Å; V209-A247 PolarHBondContact N-O 2.88Å; A234-A247 HydrophobicContact CB-CB 4.42Å; R235-A247 CarbonylContact O-C 3.51Å; R235-A247 WeakPolarHBondContact O-CA 3.46Å; I236-A247 HydrophobicContact CD1-CB 4.02Å
248T97.1Very high88.9Confident32 Ų3243 Ų4320%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-129.4126.8176.5-60.70000109.9V209 R235V209-T248 WeakPolarHBondContact O-CA 3.15Å; R235-T248 PolarHBondContact N-O 2.97Å; R235-T248 PolarHBondContact O-N 2.64Å
249V95.6Very high89.2Confident6 Ų640.7 Ų40.74%0.03622%0.219CC..  trans-71.3131.6169.7-177.30000108.4L208 V209 C210 A215 T253 I255L208-V249 HydrophobicContact CD1-CG2 3.84Å; L208-V249 HydrophobicContact CD2-CG2 4.25Å; L208-V249 HydrophobicContact CG-CG2 4.15Å; V209-V249 PolarHBondContact O-N 2.92Å; C210-V249 VanDerWaalsContact SG-CG2 3.58Å; A215-V249 HydrophobicContact CB-CG1 3.82Å; V249-T253 HydrophobicContact CB-CG2 4.4Å; V249-T253 HydrophobicContact CG1-CG2 3.93Å; V249-T253 HydrophobicContact CG2-CG2 4.37Å; V249-I255 HydrophobicContact CG2-CD1 4.1Å
250N91Very high89.6Confident37 Ų3745.1 Ų45.120%0.19824%0.243CC..  trans-132-178.6177.967.960.6000110.4K252 T253N250-K252 PolarHBondContact O-N 3.22Å; N250-K252 WeakPolarHBondContact OD1-CA 3.35Å; N250-K252 VanDerWaalsContact OD1-CB 3.28Å; N250-K252 WeakPolarHBondContact OD1-CB 3.37Å; N250-K252 PolarHBondContact OD1-N 2.71Å; N250-T253 PolarHBondContact N-OG1 2.83Å; N250-T253 PolarHBondContact ND2-OG1 2.82Å; N250-T253 WeakPolarHBondContact O-CB 3.25Å; N250-T253 PolarHBondContact O-N 3.16Å; N250-T253 PolarHBondContact O-OG1 3.16Å; N250-T253 PolarHBondContact OD1-N 3.08Å
251S89.3Confident90.3Very high38 Ų3841.1 Ų41.127%0.26621%0.214SC..THydrogen-bonded Turntrans-62.4-10.8-176.962.10000115.8F105 P107F105-S251 WeakPolarHBondContact O-CB 3.48Å; F105-S251 PolarHBondContact O-OG 3.03Å; F105-S251 VanDerWaalsContact O-OG 3.1Å; P107-S251 WeakPolarHBondContact CD-O 3.32Å
252K91.8Very high91.3Very high63 Ų6342.5 Ų42.527%0.27422%0.22SC..THydrogen-bonded Turntrans-100.2-17.5175.6-47-172.9-171.3-1690113D103 R104 D233 N250D103-K252 WeakPolarHBondContact O-CD 3.32Å; D103-K252 WeakPolarHBondContact O-CE 3.5Å; D103-K252 PolarHBondContact O-NZ 3.33Å; R104-K252 VanDerWaalsContact C-CE 3.42Å; R104-K252 WeakPolarHBondContact O-CE 3.38Å; D233-K252 HydrophobicContact CB-CB 4.47Å; N250-K252 PolarHBondContact O-N 3.22Å; N250-K252 WeakPolarHBondContact OD1-CA 3.35Å; N250-K252 VanDerWaalsContact OD1-CB 3.28Å; N250-K252 WeakPolarHBondContact OD1-CB 3.37Å; N250-K252 PolarHBondContact OD1-N 2.71Å
253T95.3Very high92.2Very high16 Ų1641 Ų4110%0.09822%0.217CC..  trans-71.8131.7-172.7-55.30000110.3I231 S232 D233 V249 N250 I255I231-T253 HydrophobicContact CG2-CG2 3.49Å; I231-T253 VanDerWaalsContact CG2-CG2 3.49Å; S232-T253 VanDerWaalsContact O-CA 3.23Å; S232-T253 WeakPolarHBondContact O-CA 3.37Å; S232-T253 WeakPolarHBondContact O-CG2 3.49Å; D233-T253 PolarHBondContact O-OG1 3.11Å; V249-T253 HydrophobicContact CB-CG2 4.4Å; V249-T253 HydrophobicContact CG1-CG2 3.93Å; V249-T253 HydrophobicContact CG2-CG2 4.37Å; N250-T253 PolarHBondContact N-OG1 2.83Å; N250-T253 PolarHBondContact ND2-OG1 2.82Å; N250-T253 WeakPolarHBondContact O-CB 3.25Å; N250-T253 PolarHBondContact O-N 3.16Å; N250-T253 PolarHBondContact O-OG1 3.16Å; N250-T253 PolarHBondContact OD1-N 3.08Å; T253-I255 HydrophobicContact CG2-CG1 4.38Å
254I96.4Very high92.9Very high4 Ų435.5 Ų35.52%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-117.4126.5171.1-67.8178.7000107.9I30 T54 P107 V144 S232I30-I254 HydrophobicContact CD1-CD1 4.11Å; T54-I254 HydrophobicContact CG2-CD1 4.31Å; P107-I254 HydrophobicContact CB-CD1 3.61Å; P107-I254 HydrophobicContact CB-CG1 4.07Å; P107-I254 HydrophobicContact CG-CD1 3.81Å; P107-I254 HydrophobicContact CG-CG1 3.89Å; V144-I254 HydrophobicContact CG1-CD1 4.13Å; V144-I254 HydrophobicContact CG1-CG2 4.18Å; V144-I254 HydrophobicContact CG2-CB 3.99Å; V144-I254 HydrophobicContact CG2-CD1 4.11Å; V144-I254 HydrophobicContact CG2-CG2 4.07Å; S232-I254 PolarHBondContact N-O 2.75Å; S232-I254 PolarHBondContact O-N 2.78Å
255I97.3Very high93.1Very high16 Ų1636.8 Ų36.88%0.08220%0.197CC..EExtended strand (participates in β ladder)trans-101.3111.7178.6-58.7173.8000108.1L218 V219 L229 I231 V249 T253 V257L218-I255 HydrophobicContact CD2-CB 3.91Å; L218-I255 HydrophobicContact CD2-CD1 4.45Å; L218-I255 HydrophobicContact CD2-CG2 4.21Å; V219-I255 HydrophobicContact CG1-CD1 4.14Å; L229-I255 HydrophobicContact CB-CG2 4.45Å; L229-I255 HydrophobicContact CD1-CG2 4.29Å; L229-I255 HydrophobicContact CD2-CG2 3.89Å; L229-I255 HydrophobicContact CG-CG2 4.45Å; I231-I255 HydrophobicContact CG2-CG1 4.3Å; V249-I255 HydrophobicContact CG2-CD1 4.1Å; T253-I255 HydrophobicContact CG2-CG1 4.38Å; I255-V257 HydrophobicContact CG2-CG2 4.35Å
256T97.1Very high93.1Very high5 Ų542.5 Ų42.53%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-91.5116.5171.2-58.60000108.4L140 P143 F230 P259L140-T256 WeakPolarHBondContact O-CG2 3.43Å; P143-T256 HydrophobicContact CG-CG2 4.32Å; F230-T256 PolarHBondContact N-O 3.44Å; F230-T256 PolarHBondContact O-N 2.8Å; T256-P259 HydrophobicContact CG2-CB 3.84Å
257V94Very high92.9Very high31 Ų3142.7 Ų42.719%0.18823%0.228CC..EExtended strand (participates in β ladder)trans-89.2131.9-178.9-178.80000109.5H141 L218 L222 T227 L229 I255H141-V257 PolarHBondContact ND1-O 3.19Å; L218-V257 HydrophobicContact CD1-CG2 4.19Å; L222-V257 HydrophobicContact CD2-CG1 3.82Å; L222-V257 HydrophobicContact CD2-CG2 3.8Å; T227-V257 HydrophobicContact CG2-CG1 3.71Å; L229-V257 HydrophobicContact CD2-CB 4.29Å; L229-V257 HydrophobicContact CD2-CG1 4.3Å; L229-V257 HydrophobicContact CD2-CG2 3.91Å; I255-V257 HydrophobicContact CG2-CG2 4.35Å
258N91.3Very high92.3Very high66 Ų6646.9 Ų46.935%0.35325%0.246SC..SBendtrans45.663.9-177.6-64.3-27000111.7H141 T227 V228 D260H141-N258 PolarHBondContact ND1-O 2.95Å; H141-N258 VanDerWaalsContact ND1-O 3.15Å; T227-N258 WeakPolarHBondContact CA-OD1 3.4Å; V228-N258 PolarHBondContact N-OD1 3.41Å; V228-N258 WeakPolarHBondContact O-CA 3.34Å; V228-N258 PolarHBondContact O-N 2.89Å; V228-N258 PolarHBondContact O-OD1 3.3Å; N258-D260 PolarHBondContact O-N 2.76Å
259P93.1Very high91.6Very high5 Ų548.4 Ų48.43%0.03226%0.258CS..  trans-63.3135.1-176.128.2-36.2000111H141 P143 L171 V228 F230 T256 T261 A264H141-P259 CarbonylContact O-C 3.21Å; H141-P259 WeakPolarHBondContact O-CA 3.45Å; P143-P259 HydrophobicContact CG-CB 3.85Å; L171-P259 HydrophobicContact CD1-CG 4.04Å; V228-P259 WeakPolarHBondContact O-CD 3.44Å; F230-P259 HydrophobicContact CB-CB 4.17Å; F230-P259 HydrophobicContact CB-CG 3.87Å; T256-P259 HydrophobicContact CG2-CB 3.84Å; P259-T261 HydrophobicContact CB-CG2 4.3Å; P259-T261 PolarHBondContact O-N 2.77Å; P259-A264 HydrophobicContact CG-CB 3.55Å; P259-A264 WeakPolarHBondContact O-CB 3.36Å
260D90.6Very high90.9Very high127 Ų12751.4 Ų51.468%0.67927%0.269SS*.SBendtrans-77.473.6-179.3-171.817.2000110.8H141 L142 N258H141-D260 HydrophobicContact CB-CB 4.32Å; H141-D260 PolarHBondContact O-N 2.8Å; L142-D260 HydrophobicContact CD2-CB 4.45Å; N258-D260 PolarHBondContact O-N 2.76Å
261T91.8Very high90.3Very high18 Ų1849.7 Ų49.711%0.1126%0.26CS..SBendtrans-138.9158.1-175.464.10000110P143 P259 A264 S265P143-T261 HydrophobicContact CG-CG2 4.23Å; P259-T261 HydrophobicContact CB-CG2 4.3Å; P259-T261 PolarHBondContact O-N 2.77Å; T261-A264 WeakPolarHBondContact OG1-CB 3.14Å; T261-A264 PolarHBondContact OG1-N 3.41Å; T261-S265 PolarHBondContact O-N 2.81Å; T261-S265 VanDerWaalsContact O-N 3.11Å; T261-S265 PolarHBondContact O-OG 3.2Å
262K91.6Very high89.5Confident165 Ų16553.3 Ų53.372%0.71727%0.271SS*.Hα-helixtrans-67.1-43.5-179.9-68.5-175.7179-177.70111A264 S265 L266K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.4Å; K262-S265 WeakPolarHBondContact O-CB 3.42Å; K262-S265 PolarHBondContact O-N 2.74Å; K262-L266 WeakPolarHBondContact O-CG 3.39Å; K262-L266 PolarHBondContact O-N 3.47Å
263E92.4Very high88.6Confident53 Ų5356.3 Ų56.325%0.24829%0.286CS..Hα-helixtrans-60.9-43.2-179-63.175.9-169.800110.6F150 L171 L266 L267F150-E263 HydrophobicContact CE1-CB 4.42Å; F150-E263 HydrophobicContact CE1-CG 4.29Å; F150-E263 HydrophobicContact CZ-CB 4.48Å; F150-E263 HydrophobicContact CZ-CG 4.5Å; L171-E263 HydrophobicContact CD2-CB 3.61Å; E263-L266 PolarHBondContact O-N 2.93Å; E263-L267 WeakPolarHBondContact O-CB 3.12Å; E263-L267 PolarHBondContact O-N 3.29Å
264A91.3Very high87Confident4 Ų456.1 Ų56.13%0.03329%0.285CS..Hα-helixtrans-70-35.5176.300000113.6L171 V228 P259 T261 K262 L267 F268L171-A264 HydrophobicContact CD1-CB 4.05Å; V228-A264 HydrophobicContact CG1-CB 3.91Å; P259-A264 HydrophobicContact CG-CB 3.55Å; P259-A264 WeakPolarHBondContact O-CB 3.36Å; T261-A264 WeakPolarHBondContact OG1-CB 3.14Å; T261-A264 PolarHBondContact OG1-N 3.41Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.4Å; A264-L267 PolarHBondContact O-N 2.92Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 2.96Å
265S87.6Confident85.2Confident66 Ų6657.2 Ų57.246%0.46229%0.293SS..Hα-helixtrans-63.4-42.4174.9-60.30000111.4T261 K262 F268 S269T261-S265 PolarHBondContact O-N 2.81Å; T261-S265 VanDerWaalsContact O-N 3.11Å; T261-S265 PolarHBondContact O-OG 3.2Å; K262-S265 WeakPolarHBondContact O-CB 3.42Å; K262-S265 PolarHBondContact O-N 2.74Å; S265-F268 PolarHBondContact O-N 3.47Å; S265-S269 PolarHBondContact O-N 2.9Å; S265-S269 VanDerWaalsContact O-N 3.07Å; S265-S269 PolarHBondContact O-OG 3.32Å
266L89.1Confident83Confident128 Ų12863.3 Ų63.367%0.6732%0.321SS*.Hα-helixtrans-62.7-46.5174.9-70.2170.9000111.4K262 E263 F268 S269 Y270K262-L266 WeakPolarHBondContact O-CG 3.39Å; K262-L266 PolarHBondContact O-N 3.47Å; E263-L266 PolarHBondContact O-N 2.93Å; L266-F268 VanDerWaalsContact C-N 3.31Å; L266-F268 PolarHBondContact O-N 3.43Å; L266-S269 PolarHBondContact O-N 3.41Å; L266-Y270 PolarHBondContact O-N 3.12Å
267L89.9Confident80.5Confident17 Ų1766.8 Ų66.89%0.08935%0.345CS..Hα-helixtrans-65.1-35.4178.8-17958.1000112.4L171 A173 D200 V228 E263 A264 Y270 A271L171-L267 HydrophobicContact CG-CD2 4.13Å; A173-L267 HydrophobicContact CB-CG 4.32Å; D200-L267 HydrophobicContact CB-CD1 4.03Å; V228-L267 HydrophobicContact CG1-CD2 3.99Å; V228-L267 HydrophobicContact CG2-CB 4.49Å; V228-L267 HydrophobicContact CG2-CG 4.25Å; E263-L267 WeakPolarHBondContact O-CB 3.12Å; E263-L267 PolarHBondContact O-N 3.29Å; A264-L267 PolarHBondContact O-N 2.92Å; L267-Y270 HydrophobicContact CD1-CD1 3.99Å; L267-Y270 PolarHBondContact O-N 3.34Å; L267-A271 WeakPolarHBondContact O-CB 3.1Å; L267-A271 PolarHBondContact O-N 2.85Å
268F84.1Confident78.1Confident87 Ų8766.6 Ų66.638%0.38235%0.35SS..Hα-helixtrans-64.2-45.3174.1175.5-96.8000111.7E226 V228 A264 S265 L266 Y270 A271 K272E226-F268 WeakPolarHBondContact O-CE2 3.09Å; V228-F268 HydrophobicContact CG2-CB 3.87Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 2.96Å; S265-F268 PolarHBondContact O-N 3.47Å; L266-F268 VanDerWaalsContact C-N 3.31Å; L266-F268 PolarHBondContact O-N 3.43Å; F268-Y270 VanDerWaalsContact C-N 3.35Å; F268-Y270 PolarHBondContact O-N 3.39Å; F268-A271 PolarHBondContact O-N 2.92Å; F268-K272 PolarHBondContact O-N 3.3Å
269S82.5Confident75.7Confident64 Ų6467.3 Ų67.345%0.44836%0.356SS..Hα-helixtrans-58.7-46.6174.7-70.60000111.6S265 L266 K272 E273S265-S269 PolarHBondContact O-N 2.9Å; S265-S269 VanDerWaalsContact O-N 3.07Å; S265-S269 PolarHBondContact O-OG 3.32Å; L266-S269 PolarHBondContact O-N 3.41Å; S269-K272 PolarHBondContact O-N 3.42Å; S269-E273 WeakPolarHBondContact O-CG 3.46Å; S269-E273 PolarHBondContact O-N 3.1Å
270Y82.5Confident73.3Confident70 Ų7067.2 Ų67.228%0.27536%0.356SS..Hα-helixtrans-58.2-50.2173.9169.7-99.7000111.8F199 D200 D201 L266 L267 F268 K272 E273 V274F199-Y270 HydrophobicContact CD2-CE1 4.18Å; F199-Y270 HydrophobicContact CE2-CD1 4.38Å; F199-Y270 HydrophobicContact CE2-CE1 4.02Å; D200-Y270 VanDerWaalsContact O-CE1 3.31Å; D200-Y270 WeakPolarHBondContact O-CE1 3.26Å; D200-Y270 PolarHBondContact O-OH 3.36Å; D201-Y270 HydrophobicContact CB-CE1 4.24Å; D201-Y270 HydrophobicContact CB-CE2 4.28Å; L266-Y270 PolarHBondContact O-N 3.12Å; L267-Y270 HydrophobicContact CD1-CD1 3.99Å; L267-Y270 PolarHBondContact O-N 3.34Å; F268-Y270 VanDerWaalsContact C-N 3.35Å; F268-Y270 PolarHBondContact O-N 3.39Å; Y270-K272 PolarHBondContact O-N 3Å; Y270-K272 VanDerWaalsContact O-N 3.16Å; Y270-E273 PolarHBondContact O-N 2.85Å; Y270-E273 VanDerWaalsContact O-N 3.1Å; Y270-V274 HydrophobicContact CD1-CG2 4.2Å; Y270-V274 HydrophobicContact CD2-CG2 3.75Å; Y270-V274 HydrophobicContact CE1-CG2 3.85Å; Y270-V274 HydrophobicContact CE2-CG2 3.35Å; Y270-V274 HydrophobicContact CG-CG2 4.16Å; Y270-V274 VanDerWaalsContact CZ-CG2 3.42Å; Y270-V274 VanDerWaalsContact O-CG2 3.26Å; Y270-V274 WeakPolarHBondContact O-CG2 3.47Å; Y270-V274 PolarHBondContact O-N 2.81Å
271A77.6Confident71Confident1 Ų166.2 Ų66.21%0.00835%0.346CS..Hα-helixtrans-55.3-37.6179.300000112.7A173 F199 L267 F268 S275A173-A271 HydrophobicContact CB-CB 3.95Å; F199-A271 HydrophobicContact CE1-CB 4.46Å; F199-A271 HydrophobicContact CE2-CB 4.13Å; F199-A271 HydrophobicContact CZ-CB 3.56Å; L267-A271 WeakPolarHBondContact O-CB 3.1Å; L267-A271 PolarHBondContact O-N 2.85Å; F268-A271 PolarHBondContact O-N 2.92Å; A271-S275 WeakPolarHBondContact O-CB 3.32Å; A271-S275 PolarHBondContact O-N 2.92Å; A271-S275 VanDerWaalsContact O-N 3.1Å; A271-S275 PolarHBondContact O-OG 2.84Å
272K73.4Confident68.5Low113 Ų11371.4 Ų71.449%0.49137%0.369SS..Hα-helixtrans-68.2-48175.9-170.8177.6176.6-177.20112.2F268 S269 Y270 V274 S275 E276F268-K272 PolarHBondContact O-N 3.3Å; S269-K272 PolarHBondContact O-N 3.42Å; Y270-K272 PolarHBondContact O-N 3Å; Y270-K272 VanDerWaalsContact O-N 3.16Å; K272-V274 VanDerWaalsContact C-N 3.34Å; K272-V274 PolarHBondContact O-N 3.09Å; K272-S275 WeakPolarHBondContact O-CB 3.32Å; K272-S275 PolarHBondContact O-N 3.23Å; K272-S275 VanDerWaalsContact O-N 3.13Å; K272-E276 WeakPolarHBondContact CE-OE1 3.24Å; K272-E276 WeakPolarHBondContact O-CG 3.23Å; K272-E276 PolarHBondContact O-N 2.97Å
273E71.4Confident65.9Low127 Ų12765.2 Ų65.259%0.59334%0.344SS*.Hα-helixtrans-59.5-42.6177.2-71.6176.6-176.700112.3S269 Y270 S275 E276 S277S269-E273 WeakPolarHBondContact O-CG 3.46Å; S269-E273 PolarHBondContact O-N 3.1Å; Y270-E273 PolarHBondContact O-N 2.85Å; Y270-E273 VanDerWaalsContact O-N 3.1Å; E273-S275 VanDerWaalsContact C-N 3.27Å; E273-S275 PolarHBondContact O-N 2.89Å; E273-E276 PolarHBondContact O-N 3.14Å; E273-S277 WeakPolarHBondContact O-CB 3.07Å; E273-S277 PolarHBondContact O-N 3.22Å; E273-S277 PolarHBondContact O-OG 3.04Å
274V62.5Low63.2Low12 Ų1268.3 Ų68.37%0.07336%0.362CS..Hα-helixtrans-70.5-26.7178.8-170.60000111.7Y270 K272 S277 G278 V279 L280Y270-V274 HydrophobicContact CD1-CG2 4.2Å; Y270-V274 HydrophobicContact CD2-CG2 3.75Å; Y270-V274 HydrophobicContact CE1-CG2 3.85Å; Y270-V274 HydrophobicContact CE2-CG2 3.35Å; Y270-V274 HydrophobicContact CG-CG2 4.16Å; Y270-V274 VanDerWaalsContact CZ-CG2 3.42Å; Y270-V274 VanDerWaalsContact O-CG2 3.26Å; Y270-V274 WeakPolarHBondContact O-CG2 3.47Å; Y270-V274 PolarHBondContact O-N 2.81Å; K272-V274 VanDerWaalsContact C-N 3.34Å; K272-V274 PolarHBondContact O-N 3.09Å; V274-S277 VanDerWaalsContact CA-OG 3.28Å; V274-S277 WeakPolarHBondContact CA-OG 3.43Å; V274-S277 PolarHBondContact O-OG 3.38Å; V274-G278 PolarHBondContact O-N 2.91Å; V274-V279 HydrophobicContact CG1-CB 3.69Å; V274-V279 HydrophobicContact CG1-CG1 3.93Å; V274-V279 PolarHBondContact O-N 3.19Å; V274-L280 HydrophobicContact CB-CD1 4.05Å; V274-L280 HydrophobicContact CB-CG 4.31Å; V274-L280 HydrophobicContact CG1-CD1 3.77Å; V274-L280 HydrophobicContact CG1-CD2 4.1Å; V274-L280 HydrophobicContact CG1-CG 3.48Å; V274-L280 VanDerWaalsContact CG1-CG 3.48Å
275S58.9Low60.8Low27 Ų2772 Ų7219%0.18938%0.375CS..Hα-helixtrans-73.2-42.5173.6-61.70000112.5R225 A271 K272 E273 G278R225-S275 VanDerWaalsContact CB-OG 3.28Å; R225-S275 WeakPolarHBondContact CB-OG 3.41Å; R225-S275 WeakPolarHBondContact CD-OG 3.49Å; A271-S275 WeakPolarHBondContact O-CB 3.32Å; A271-S275 PolarHBondContact O-N 2.92Å; A271-S275 VanDerWaalsContact O-N 3.1Å; A271-S275 PolarHBondContact O-OG 2.84Å; K272-S275 WeakPolarHBondContact O-CB 3.32Å; K272-S275 PolarHBondContact O-N 3.23Å; K272-S275 VanDerWaalsContact O-N 3.13Å; E273-S275 VanDerWaalsContact C-N 3.27Å; E273-S275 PolarHBondContact O-N 2.89Å; S275-G278 PolarHBondContact O-N 2.84Å
276E50.8Low58.3Low144 Ų14473.8 Ų73.867%0.67339%0.386SS*.Hα-helixtrans-70.9-34.3178.9-70.3174.9-177.600112.2K272 E273 G278K272-E276 WeakPolarHBondContact CE-OE1 3.24Å; K272-E276 WeakPolarHBondContact O-CG 3.23Å; K272-E276 PolarHBondContact O-N 2.97Å; E273-E276 PolarHBondContact O-N 3.14Å; E276-G278 VanDerWaalsContact C-N 3.3Å; E276-G278 PolarHBondContact O-N 2.81Å
277S44.7Very low55.9Low77 Ų7769.6 Ų69.654%0.53837%0.373SS..THydrogen-bonded Turntrans-77.9-9.3176.656.20000114.5E273 V274 V279E273-S277 WeakPolarHBondContact O-CB 3.07Å; E273-S277 PolarHBondContact O-N 3.22Å; E273-S277 PolarHBondContact O-OG 3.04Å; V274-S277 VanDerWaalsContact CA-OG 3.28Å; V274-S277 WeakPolarHBondContact CA-OG 3.43Å; V274-S277 PolarHBondContact O-OG 3.38Å; S277-V279 VanDerWaalsContact C-N 3.27Å; S277-V279 PolarHBondContact O-N 3.21Å
278G43.8Very low53.7Low27 Ų2770.8 Ų70.828%0.27838%0.38SS..SBendtrans78.40.5176.800000115.8V274 S275 E276 L280 H281V274-G278 PolarHBondContact O-N 2.91Å; S275-G278 PolarHBondContact O-N 2.84Å; E276-G278 VanDerWaalsContact C-N 3.3Å; E276-G278 PolarHBondContact O-N 2.81Å; G278-L280 PolarHBondContact O-N 3.29Å; G278-L280 VanDerWaalsContact O-N 3.17Å; G278-H281 WeakPolarHBondContact O-CB 3.5Å; G278-H281 PolarHBondContact O-N 2.78Å
279V41.1Very low52.4Low82 Ų8269.4 Ų69.450%0.49738%0.378SS..G310 helixtrans-59.3-29.6-179.5175.10000112V274 S277V274-V279 HydrophobicContact CG1-CB 3.69Å; V274-V279 HydrophobicContact CG1-CG1 3.93Å; V274-V279 PolarHBondContact O-N 3.19Å; S277-V279 VanDerWaalsContact C-N 3.27Å; S277-V279 PolarHBondContact O-N 3.21Å
280L42Very low51.5Low3 Ų370.4 Ų70.42%0.01638%0.383CS..G310 helixtrans-83-11.6176.7-67.6164.8000114.6R175 F199 R225 V274 G278 E282R175-L280 HydrophobicContact CG-CD2 4.4Å; R175-L280 PolarHBondContact NH2-O 2.87Å; F199-L280 HydrophobicContact CD2-CD1 4.26Å; F199-L280 HydrophobicContact CD2-CD2 3.92Å; F199-L280 HydrophobicContact CE1-CD1 4.07Å; F199-L280 HydrophobicContact CE2-CD1 3.56Å; F199-L280 HydrophobicContact CE2-CD2 4.07Å; F199-L280 HydrophobicContact CE2-CG 4.4Å; F199-L280 HydrophobicContact CG-CD2 4.24Å; F199-L280 HydrophobicContact CZ-CD1 3.42Å; F199-L280 VanDerWaalsContact CZ-CD1 3.42Å; F199-L280 HydrophobicContact CZ-CD2 4.48Å; R225-L280 HydrophobicContact CG-CD1 4.29Å; R225-L280 PolarHBondContact NH2-O 3.09Å; R225-L280 VanDerWaalsContact NH2-O 3.14Å; V274-L280 HydrophobicContact CB-CD1 4.05Å; V274-L280 HydrophobicContact CB-CG 4.31Å; V274-L280 HydrophobicContact CG1-CD1 3.77Å; V274-L280 HydrophobicContact CG1-CD2 4.1Å; V274-L280 HydrophobicContact CG1-CG 3.48Å; V274-L280 VanDerWaalsContact CG1-CG 3.48Å; G278-L280 PolarHBondContact O-N 3.29Å; G278-L280 VanDerWaalsContact O-N 3.17Å; L280-E282 VanDerWaalsContact C-N 3.25Å; L280-E282 PolarHBondContact O-N 2.98Å
281H42.1Very low50.9Low105 Ų10568.7 Ų68.749%0.48638%0.38SS..G310 helixtrans-75.8-9.6-180-83-67.2000114R225 G278 D283R225-H281 PolarHBondContact NH1-CD2 3.2Å; R225-H281 PolarHBondContact NH1-CE1 3.08Å; R225-H281 VanDerWaalsContact NH1-CE1 3.28Å; R225-H281 PolarHBondContact NH1-NE2 3.25Å; G278-H281 WeakPolarHBondContact O-CB 3.5Å; G278-H281 PolarHBondContact O-N 2.78Å; H281-D283 PolarHBondContact O-N 3.33Å
282E39.3Very low50.7Low127 Ų12776.1 Ų76.159%0.59342%0.42SS*.G310 helixtrans-76.3-14.7178.8-62.8-163130.900114L280 D288L280-E282 VanDerWaalsContact C-N 3.25Å; L280-E282 PolarHBondContact O-N 2.98Å; E282-D288 VanDerWaalsContact O-OD2 3.06Å
283D37.7Very low51Low35 Ų3574 Ų7419%0.18742%0.419CS..G310 helixtrans-112.120.9-169.4-82.4-57.9000117.6R175 K197 H281 R285R175-D283 IonicContact CZ-OD2 2.85Å; R175-D283 VanDerWaalsContact NH1-CB 3.33Å; R175-D283 IonicContact NH1-OD2 3.89Å; R175-D283 PolarHBondContact NH1-OD2 3.49Å; R175-D283 VanDerWaalsContact NH2-CG 3.28Å; R175-D283 IonicContact NH2-OD2 3.39Å; R175-D283 PolarHBondContact NH2-OD2 2.95Å; K197-D283 PolarHBondContact NZ-O 2.98Å; K197-D283 VanDerWaalsContact NZ-O 3.13Å; H281-D283 PolarHBondContact O-N 3.33Å; D283-R285 PolarHBondContact O-N 2.92Å
284D35.5Very low51.7Low118 Ų11868.6 Ų68.663%0.63139%0.394SS*.SBendtrans-769.8158.2-84.4-23000112.3
285R40.6Very low52.9Low81 Ų8172.4 Ų72.431%0.30642%0.421SS..SBendtrans-97.8134.8164.5-68-169.3-89.5-158.91.3109.7D283 G287 D288D283-R285 PolarHBondContact O-N 2.92Å; R285-G287 VanDerWaalsContact C-N 3.26Å; R285-G287 PolarHBondContact O-N 2.95Å; R285-D288 WeakPolarHBondContact CD-OD1 3.36Å; R285-D288 IonicContact CZ-OD1 2.79Å; R285-D288 IonicContact CZ-OD2 3.09Å; R285-D288 IonicContact NE-OD1 3.16Å; R285-D288 PolarHBondContact NE-OD1 3.26Å; R285-D288 IonicContact NE-OD2 3.48Å; R285-D288 PolarHBondContact NE-OD2 3.33Å; R285-D288 IonicContact NH1-OD1 2.77Å; R285-D288 IonicContact NH2-OD1 2.71Å; R285-D288 IonicContact NH2-OD2 2.75Å; R285-D288 PolarHBondContact NH2-OD2 3.07Å
286P34.5Very low54.4Low105 Ų10575.1 Ų75.168%0.68243%0.434SS*.SBendtrans-67.888.9160.3-1.214.3000108K430P286-K430 VanDerWaalsContact C-NZ 3.33Å; P286-K430 WeakPolarHBondContact O-CE 3.16Å; P286-K430 PolarHBondContact O-NZ 3.45Å
287G40Very low56.4Low39 Ų3969.7 Ų69.740%0.40241%0.41SS..  trans97.288.4173.200000115.2R285 K430R285-G287 VanDerWaalsContact C-N 3.26Å; R285-G287 PolarHBondContact O-N 2.95Å; G287-K430 VanDerWaalsContact O-CE 3.26Å; G287-K430 WeakPolarHBondContact O-CE 3.38Å; G287-K430 PolarHBondContact O-NZ 3.27Å
288D43.9Very low58.7Low42 Ų4267.6 Ų67.623%0.22539%0.391CS..  trans-94.293.7159.5-97.70.3000108.8E282 R285E282-D288 VanDerWaalsContact O-OD2 3.06Å; R285-D288 WeakPolarHBondContact CD-OD1 3.36Å; R285-D288 IonicContact CZ-OD1 2.79Å; R285-D288 IonicContact CZ-OD2 3.09Å; R285-D288 IonicContact NE-OD1 3.16Å; R285-D288 PolarHBondContact NE-OD1 3.26Å; R285-D288 IonicContact NE-OD2 3.48Å; R285-D288 PolarHBondContact NE-OD2 3.33Å; R285-D288 IonicContact NH1-OD1 2.77Å; R285-D288 IonicContact NH2-OD1 2.71Å; R285-D288 IonicContact NH2-OD2 2.75Å; R285-D288 PolarHBondContact NH2-OD2 3.07Å
289V55.7Low61Low59 Ų5966.5 Ų66.536%0.35838%0.379SS..  trans-68.3122.1159.51780000105.4V291 S293 I294V289-V291 PolarHBondContact O-N 2.84Å; V289-S293 WeakPolarHBondContact CG1-OG 3.45Å; V289-I294 HydrophobicContact CB-CG1 4.33Å; V289-I294 HydrophobicContact CG1-CD1 4.39Å; V289-I294 HydrophobicContact CG1-CG1 3.62Å
290P64.1Low63.5Low85 Ų8562.6 Ų62.655%0.55236%0.355SS*.  trans-50.1129.5174-25.332.3000109D292 S293P290-D292 PolarHBondContact O-N 2.85Å; P290-S293 WeakPolarHBondContact CD-OG 3.37Å; P290-S293 WeakPolarHBondContact O-CB 3.29Å; P290-S293 PolarHBondContact O-N 2.8Å; P290-S293 PolarHBondContact O-OG 2.81Å
291V69.9Low65.9Low33 Ų3364.4 Ų64.420%0.237%0.368CS..G310 helixtrans-54.5-35.3-174.2179.40000111.1V289 S293 I294 Y428 L446 Q447V289-V291 PolarHBondContact O-N 2.84Å; V291-S293 PolarHBondContact O-N 2.83Å; V291-I294 WeakPolarHBondContact O-CB 3.34Å; V291-I294 PolarHBondContact O-N 3.18Å; V291-I294 VanDerWaalsContact O-N 3.12Å; V291-Y428 HydrophobicContact CG1-CD1 3.41Å; V291-Y428 VanDerWaalsContact CG1-CD1 3.41Å; V291-Y428 HydrophobicContact CG1-CD2 3.86Å; V291-Y428 HydrophobicContact CG1-CE1 3.65Å; V291-Y428 HydrophobicContact CG1-CE2 4.07Å; V291-Y428 HydrophobicContact CG1-CG 3.51Å; V291-L446 HydrophobicContact CG2-CB 4.18Å; V291-Q447 HydrophobicContact CG1-CB 4.12Å
292D72.9Confident68.2Low158 Ų15862.8 Ų62.885%0.84536%0.361SS*.G310 helixtrans-65.8-20.7177.9-57.6-32.8000114.2P290P290-D292 PolarHBondContact O-N 2.85Å
293S79.9Confident70.7Confident68 Ų6856.8 Ų56.848%0.47633%0.333SS..G310 helixtrans-88.5-8.2176.468.60000113.5V289 P290 V291 S295V289-S293 WeakPolarHBondContact CG1-OG 3.45Å; P290-S293 WeakPolarHBondContact CD-OG 3.37Å; P290-S293 WeakPolarHBondContact O-CB 3.29Å; P290-S293 PolarHBondContact O-N 2.8Å; P290-S293 PolarHBondContact O-OG 2.81Å; V291-S293 PolarHBondContact O-N 2.83Å; S293-S295 PolarHBondContact O-N 2.75Å
294I87Confident73.2Confident13 Ų1358.2 Ų58.27%0.06734%0.337CS..  trans-83.6105.3177.3-53.4170.3000108.2V289 V291 C315 I317 Y428 L446V289-I294 HydrophobicContact CB-CG1 4.33Å; V289-I294 HydrophobicContact CG1-CD1 4.39Å; V289-I294 HydrophobicContact CG1-CG1 3.62Å; V291-I294 WeakPolarHBondContact O-CB 3.34Å; V291-I294 PolarHBondContact O-N 3.18Å; V291-I294 VanDerWaalsContact O-N 3.12Å; I294-C315 HydrophobicContact CD1-CB 3.74Å; I294-C315 HydrophobicContact CG1-CB 3.98Å; I294-C315 HydrophobicContact CG2-CB 4.32Å; I294-I317 HydrophobicContact CG2-CG1 4.05Å; I294-I317 VanDerWaalsContact O-CD1 3.23Å; I294-I317 WeakPolarHBondContact O-CD1 3.5Å; I294-Y428 HydrophobicContact CB-CD1 4.01Å; I294-Y428 HydrophobicContact CB-CE1 4.29Å; I294-Y428 HydrophobicContact CD1-CD1 4.14Å; I294-Y428 HydrophobicContact CG2-CD1 4.22Å; I294-L446 HydrophobicContact CD1-CD1 3.71Å
295S86.4Confident75.7Confident92 Ų9256.9 Ų56.964%0.64333%0.329SS*.  trans-108.5-22.6177.355.50000114S293 V297S293-S295 PolarHBondContact O-N 2.75Å; S295-V297 PolarHBondContact O-N 2.79Å
296D89.8Confident78Confident85 Ų8555.9 Ų55.946%0.45533%0.327SS..  trans-70.1125.2-173.1-66.1-21.1000111.4Y298 G316 I317D296-Y298 HydrophobicContact CB-CD2 4.26Å; D296-Y298 HydrophobicContact CB-CE2 3.33Å; D296-Y298 WeakPolarHBondContact CB-OH 3.26Å; D296-Y298 PolarHBondContact OD2-OH 3.39Å; D296-G316 CarbonylContact O-C 3.58Å; D296-G316 WeakPolarHBondContact O-CA 3.37Å; D296-I317 PolarHBondContact O-N 2.85Å
297V92.8Very high80.3Confident30 Ų3051.5 Ų51.518%0.18230%0.3CS..BIsolated β-bridgetrans-101.6132.2178-1670000109.8S295 I317 Y319 N459 L463S295-V297 PolarHBondContact O-N 2.79Å; V297-I317 CarbonylContact C-O 3.58Å; V297-I317 WeakPolarHBondContact CA-O 3.02Å; V297-I317 HydrophobicContact CG2-CB 4.33Å; V297-Y319 HydrophobicContact CG1-CD2 3.69Å; V297-Y319 HydrophobicContact CG1-CE2 3.83Å; V297-Y319 HydrophobicContact CG2-CE2 4.29Å; V297-N459 HydrophobicContact CG1-CB 4.46Å; V297-L463 HydrophobicContact CB-CD1 4.16Å; V297-L463 HydrophobicContact CG1-CD1 3.59Å
298Y93.1Very high82.3Confident32 Ų3257 Ų5713%0.12532%0.316CS..  trans-130.7146.4180-57.9-83000111.6D296 Q302 L303 K306 I317 T318D296-Y298 HydrophobicContact CB-CD2 4.26Å; D296-Y298 HydrophobicContact CB-CE2 3.33Å; D296-Y298 WeakPolarHBondContact CB-OH 3.26Å; D296-Y298 PolarHBondContact OD2-OH 3.39Å; Y298-Q302 HydrophobicContact CD1-CB 4.17Å; Y298-L303 HydrophobicContact CD2-CD2 3.73Å; Y298-L303 HydrophobicContact CG-CD2 3.76Å; Y298-L303 HydrophobicContact CG-CG 4.39Å; Y298-K306 HydrophobicContact CE1-CD 4.09Å; Y298-K306 PolarHBondContact OH-NZ 3.17Å; Y298-I317 PolarHBondContact N-O 3.31Å; Y298-T318 WeakPolarHBondContact O-CB 3.46Å; Y298-T318 PolarHBondContact O-OG1 3.29Å; Y298-T318 VanDerWaalsContact O-OG1 3.06Å
299T93.8Very high84Confident4 Ų462.7 Ų62.73%0.02534%0.341CS..  trans-73.5160159710000110.3S301 Q302 L303 D379 T381 L463T299-S301 VanDerWaalsContact C-N 3.27Å; T299-S301 PolarHBondContact O-N 3.04Å; T299-S301 PolarHBondContact OG1-OG 3.22Å; T299-Q302 WeakPolarHBondContact O-CB 3.43Å; T299-Q302 PolarHBondContact O-N 3Å; T299-Q302 VanDerWaalsContact O-N 3.15Å; T299-Q302 VanDerWaalsContact OG1-CG 3.26Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.37Å; T299-Q302 PolarHBondContact OG1-N 3.33Å; T299-Q302 PolarHBondContact OG1-OE1 2.8Å; T299-L303 WeakPolarHBondContact O-CG 3.41Å; T299-L303 PolarHBondContact O-N 3.06Å; T299-D379 VanDerWaalsContact CA-OD2 3.24Å; T299-D379 WeakPolarHBondContact CA-OD2 3.23Å; T299-D379 WeakPolarHBondContact CB-OD2 3.42Å; T299-T381 WeakPolarHBondContact CB-OG1 3.35Å; T299-T381 HydrophobicContact CG2-CG2 3.92Å; T299-L463 HydrophobicContact CG2-CB 4.33Å
300V92.8Very high84.7Confident1 Ų162.3 Ų62.31%0.00634%0.337CS..Hα-helixtrans-58.6-40.6176.9171.90000110.9Q302 L303 K304 D379 T381 L384V300-Q302 PolarHBondContact O-N 2.83Å; V300-L303 PolarHBondContact O-N 2.88Å; V300-K304 HydrophobicContact CG1-CD 4.44Å; V300-K304 HydrophobicContact CG1-CG 4.47Å; V300-K304 VanDerWaalsContact O-CG 3.29Å; V300-K304 WeakPolarHBondContact O-CG 3.33Å; V300-K304 PolarHBondContact O-N 2.9Å; V300-D379 WeakPolarHBondContact CB-OD1 2.97Å; V300-D379 HydrophobicContact CG2-CB 4.07Å; V300-D379 VanDerWaalsContact CG2-CG 3.46Å; V300-D379 PolarHBondContact N-OD2 2.77Å; V300-T381 PolarHBondContact N-OG1 3.39Å; V300-L384 HydrophobicContact CG1-CB 4.1Å
301S91.8Very high84.9Confident41 Ų4162.7 Ų62.729%0.28734%0.339SS..Hα-helixtrans-62.4-41.1176.663.60000112.3T299 K304 L305 T381T299-S301 VanDerWaalsContact C-N 3.27Å; T299-S301 PolarHBondContact O-N 3.04Å; T299-S301 PolarHBondContact OG1-OG 3.22Å; S301-K304 PolarHBondContact O-N 3.26Å; S301-L305 WeakPolarHBondContact O-CG 3.23Å; S301-L305 PolarHBondContact O-N 3.32Å; S301-T381 PolarHBondContact N-OG1 3.35Å; S301-T381 WeakPolarHBondContact OG-CB 2.95Å; S301-T381 PolarHBondContact OG-OG1 3.14Å
302Q91.9Very high85.1Confident70 Ų7065.7 Ų65.733%0.32735%0.351SS..Hα-helixtrans-64.1-41.4176-72.3168.2-1700111.7Y298 T299 V300 K304 L305 K306Y298-Q302 HydrophobicContact CD1-CB 4.17Å; T299-Q302 WeakPolarHBondContact O-CB 3.43Å; T299-Q302 PolarHBondContact O-N 3Å; T299-Q302 VanDerWaalsContact O-N 3.15Å; T299-Q302 VanDerWaalsContact OG1-CG 3.26Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.37Å; T299-Q302 PolarHBondContact OG1-N 3.33Å; T299-Q302 PolarHBondContact OG1-OE1 2.8Å; V300-Q302 PolarHBondContact O-N 2.83Å; Q302-K304 VanDerWaalsContact C-N 3.31Å; Q302-K304 PolarHBondContact O-N 2.9Å; Q302-L305 PolarHBondContact O-N 2.77Å; Q302-K306 VanDerWaalsContact O-CB 3.27Å; Q302-K306 WeakPolarHBondContact O-CB 3.4Å; Q302-K306 PolarHBondContact O-N 3.47Å
303L90.9Very high85.4Confident1 Ų161.2 Ų61.21%0.00533%0.329CS..Hα-helixtrans-58.5-44.6173-67.3174.9000111.1Y298 T299 V300 A307 F314 T318 I429 I431Y298-L303 HydrophobicContact CD2-CD2 3.73Å; Y298-L303 HydrophobicContact CG-CD2 3.76Å; Y298-L303 HydrophobicContact CG-CG 4.39Å; T299-L303 WeakPolarHBondContact O-CG 3.41Å; T299-L303 PolarHBondContact O-N 3.06Å; V300-L303 PolarHBondContact O-N 2.88Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 3.02Å; L303-F314 HydrophobicContact CD2-CE2 3.66Å; L303-F314 HydrophobicContact CD2-CZ 4.39Å; L303-F314 WeakPolarHBondContact O-CZ 3.23Å; L303-T318 HydrophobicContact CD1-CG2 4.32Å; L303-I429 HydrophobicContact CD1-CG2 3.86Å; L303-I429 HydrophobicContact CD2-CG2 4.45Å; L303-I431 HydrophobicContact CD2-CG1 4.33Å
304K90Very high85.6Confident65 Ų6558.9 Ų58.928%0.28331%0.31SS..Hα-helixtrans-65.4-44.5179.1-65-175.2177.91750112.3V300 S301 Q302 A307 Q308 T383 M441V300-K304 HydrophobicContact CG1-CD 4.44Å; V300-K304 HydrophobicContact CG1-CG 4.47Å; V300-K304 VanDerWaalsContact O-CG 3.29Å; V300-K304 WeakPolarHBondContact O-CG 3.33Å; V300-K304 PolarHBondContact O-N 2.9Å; S301-K304 PolarHBondContact O-N 3.26Å; Q302-K304 VanDerWaalsContact C-N 3.31Å; Q302-K304 PolarHBondContact O-N 2.9Å; K304-A307 PolarHBondContact O-N 3.26Å; K304-Q308 WeakPolarHBondContact O-CG 3.07Å; K304-Q308 PolarHBondContact O-N 3.16Å; K304-Q308 VanDerWaalsContact O-N 3.17Å; K304-T383 WeakPolarHBondContact CE-O 3.28Å; K304-T383 PolarHBondContact NZ-O 3.02Å; K304-M441 HydrophobicContact CB-CE 3.96Å; K304-M441 HydrophobicContact CD-CE 4.13Å; K304-M441 HydrophobicContact CG-CE 3.51Å; K304-M441 HydrophobicContact CG-SD 4.35Å
305L88.9Confident85.7Confident90 Ų9059.1 Ų59.147%0.47131%0.313SS..Hα-helixtrans-62.8-48.3178.3-74.2169.5000110.8S301 Q302 A307 Q308 E309S301-L305 WeakPolarHBondContact O-CG 3.23Å; S301-L305 PolarHBondContact O-N 3.32Å; Q302-L305 PolarHBondContact O-N 2.77Å; L305-A307 VanDerWaalsContact C-N 3.26Å; L305-A307 PolarHBondContact O-N 3.35Å; L305-Q308 WeakPolarHBondContact O-CA 3.13Å; L305-Q308 WeakPolarHBondContact O-CB 3.38Å; L305-Q308 PolarHBondContact O-N 3.45Å; L305-E309 PolarHBondContact O-N 2.9Å
306K87.1Confident85.9Confident60 Ų6054.7 Ų54.726%0.26128%0.282SS..Hα-helixtrans-59.8-36.8178.1-170169.2-176.8175.60112.3Y298 Q302 Q308 N310 F314Y298-K306 HydrophobicContact CE1-CD 4.09Å; Y298-K306 PolarHBondContact OH-NZ 3.17Å; Q302-K306 VanDerWaalsContact O-CB 3.27Å; Q302-K306 WeakPolarHBondContact O-CB 3.4Å; Q302-K306 PolarHBondContact O-N 3.47Å; K306-Q308 VanDerWaalsContact C-N 3.32Å; K306-Q308 PolarHBondContact O-N 3.1Å; K306-N310 VanDerWaalsContact O-CB 3.29Å; K306-N310 WeakPolarHBondContact O-CB 3.2Å; K306-N310 PolarHBondContact O-N 2.97Å; K306-F314 HydrophobicContact CB-CE1 4.24Å; K306-F314 HydrophobicContact CB-CE2 4.3Å; K306-F314 HydrophobicContact CB-CZ 3.87Å; K306-F314 HydrophobicContact CD-CD2 3.93Å; K306-F314 HydrophobicContact CD-CE2 3.89Å; K306-F314 HydrophobicContact CD-CG 4.25Å; K306-F314 HydrophobicContact CD-CZ 4.19Å; K306-F314 HydrophobicContact CG-CD1 4.29Å; K306-F314 HydrophobicContact CG-CD2 4.46Å; K306-F314 HydrophobicContact CG-CE1 4.02Å; K306-F314 HydrophobicContact CG-CE2 4.19Å; K306-F314 HydrophobicContact CG-CZ 3.97Å
307A84.6Confident86.1Confident14 Ų1451 Ų5112%0.11626%0.263CS..Hα-helixtrans-71.3-22.2174.900000114.3L303 K304 L305 F314 I431 M441L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 3.02Å; K304-A307 PolarHBondContact O-N 3.26Å; L305-A307 VanDerWaalsContact C-N 3.26Å; L305-A307 PolarHBondContact O-N 3.35Å; A307-F314 HydrophobicContact CB-CE1 3.94Å; A307-F314 HydrophobicContact CB-CZ 4.22Å; A307-I431 HydrophobicContact CB-CG2 3.75Å; A307-M441 HydrophobicContact CB-CB 4.37Å; A307-M441 HydrophobicContact CB-SD 3.86Å
308Q81.4Confident86.2Confident154 Ų15449.6 Ų49.672%0.7225%0.254SS*.Hα-helixtrans-83.5-38.5174-72.2177.73.800111.8K304 L305 K306K304-Q308 WeakPolarHBondContact O-CG 3.07Å; K304-Q308 PolarHBondContact O-N 3.16Å; K304-Q308 VanDerWaalsContact O-N 3.17Å; L305-Q308 WeakPolarHBondContact O-CA 3.13Å; L305-Q308 WeakPolarHBondContact O-CB 3.38Å; L305-Q308 PolarHBondContact O-N 3.45Å; K306-Q308 VanDerWaalsContact C-N 3.32Å; K306-Q308 PolarHBondContact O-N 3.1Å
309E80.4Confident86.3Confident161 Ų16148.4 Ų48.475%0.75225%0.249SC*.Hα-helixtrans-79.3-30.4-179-67.7178.7164.400112.8L305L305-E309 PolarHBondContact O-N 2.9Å
310N70.1Confident86.3Confident52 Ų5248.2 Ų48.228%0.27825%0.248SC..  trans-118120.1-176.4-165.2-15.1000111.8K306 E312K306-N310 VanDerWaalsContact O-CB 3.29Å; K306-N310 WeakPolarHBondContact O-CB 3.2Å; K306-N310 PolarHBondContact O-N 2.97Å; N310-E312 PolarHBondContact O-N 3.14Å; N310-E312 WeakPolarHBondContact OD1-CB 3.44Å; N310-E312 PolarHBondContact OD1-N 3.23Å
311P67.1Low86.4Confident92 Ų9250.8 Ų50.860%0.59726%0.259SS*.  trans-76.70.817632.9-36.3000114P433P311-P433 WeakPolarHBondContact O-CG 3.32Å
312E74.5Confident86.5Confident96 Ų9649 Ų4945%0.44925%0.247SC..SBendtrans-89.5157.3177.7-63.2-176.5166.400113.1N310N310-E312 PolarHBondContact O-N 3.14Å; N310-E312 WeakPolarHBondContact OD1-CB 3.44Å; N310-E312 PolarHBondContact OD1-N 3.23Å
313V78.7Confident86.6Confident64 Ų6447.7 Ų47.739%0.38825%0.245SC..  trans-75.2134.6172.9178.80000108.8K430 I431 A432V313-K430 HydrophobicContact CG1-CD 4.19Å; V313-K430 HydrophobicContact CG1-CG 3.76Å; V313-I431 WeakPolarHBondContact CA-O 3.35Å; V313-I431 WeakPolarHBondContact CG1-O 3.45Å; V313-A432 HydrophobicContact CG1-CB 4.48Å; V313-A432 HydrophobicContact CG2-CB 3.86Å
314F84.1Confident86.8Confident19 Ų1951.8 Ų51.88%0.08326%0.263CS..EExtended strand (participates in β ladder)trans-136.6160.9175.566.6-85.8000111.4L303 K306 A307 K430 I431L303-F314 HydrophobicContact CD2-CE2 3.66Å; L303-F314 HydrophobicContact CD2-CZ 4.39Å; L303-F314 WeakPolarHBondContact O-CZ 3.23Å; K306-F314 HydrophobicContact CB-CE1 4.24Å; K306-F314 HydrophobicContact CB-CE2 4.3Å; K306-F314 HydrophobicContact CB-CZ 3.87Å; K306-F314 HydrophobicContact CD-CD2 3.93Å; K306-F314 HydrophobicContact CD-CE2 3.89Å; K306-F314 HydrophobicContact CD-CG 4.25Å; K306-F314 HydrophobicContact CD-CZ 4.19Å; K306-F314 HydrophobicContact CG-CD1 4.29Å; K306-F314 HydrophobicContact CG-CD2 4.46Å; K306-F314 HydrophobicContact CG-CE1 4.02Å; K306-F314 HydrophobicContact CG-CE2 4.19Å; K306-F314 HydrophobicContact CG-CZ 3.97Å; A307-F314 HydrophobicContact CB-CE1 3.94Å; A307-F314 HydrophobicContact CB-CZ 4.22Å; F314-K430 WeakPolarHBondContact O-CA 3.5Å; F314-I431 HydrophobicContact CD1-CB 4.3Å; F314-I431 HydrophobicContact CE1-CB 3.74Å; F314-I431 HydrophobicContact CE1-CG1 4.46Å; F314-I431 HydrophobicContact CE1-CG2 3.85Å; F314-I431 HydrophobicContact CE2-CB 4.03Å; F314-I431 HydrophobicContact CE2-CG1 3.93Å; F314-I431 HydrophobicContact CZ-CB 3.59Å; F314-I431 HydrophobicContact CZ-CG1 3.81Å; F314-I431 HydrophobicContact CZ-CG2 3.86Å; F314-I431 PolarHBondContact N-O 2.68Å; F314-I431 VanDerWaalsContact N-O 3.11Å; F314-I431 PolarHBondContact O-N 3.47Å
315C89.6Confident86.9Confident18 Ų1848.8 Ų48.812%0.12225%0.25CS..EExtended strand (participates in β ladder)trans-117.4158177.5-60.20000110.3I294 I429I294-C315 HydrophobicContact CD1-CB 3.74Å; I294-C315 HydrophobicContact CG1-CB 3.98Å; I294-C315 HydrophobicContact CG2-CB 4.32Å; C315-I429 CarbonylContact C-O 3.35Å; C315-I429 WeakPolarHBondContact CA-O 3.42Å
316G91.6Very high86.8Confident0 Ų047.5 Ų47.50%024%0.244CC..EExtended strand (participates in β ladder)trans-169.8169.8176.300000112.2D296 I429D296-G316 CarbonylContact O-C 3.58Å; D296-G316 WeakPolarHBondContact O-CA 3.37Å; G316-I429 PolarHBondContact N-O 2.94Å; G316-I429 PolarHBondContact O-N 2.86Å
317I93.9Very high86.9Confident8 Ų844.7 Ų44.74%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-101.5139171.9-61.8163.4000108.1I294 D296 V297 Y298 Y319 K426 V427 Y428I294-I317 HydrophobicContact CG2-CG1 4.05Å; I294-I317 VanDerWaalsContact O-CD1 3.23Å; I294-I317 WeakPolarHBondContact O-CD1 3.5Å; D296-I317 PolarHBondContact O-N 2.85Å; V297-I317 CarbonylContact C-O 3.58Å; V297-I317 WeakPolarHBondContact CA-O 3.02Å; V297-I317 HydrophobicContact CG2-CB 4.33Å; Y298-I317 PolarHBondContact N-O 3.31Å; I317-Y319 HydrophobicContact CG2-CD2 4.31Å; I317-Y319 HydrophobicContact CG2-CE2 3.94Å; I317-K426 HydrophobicContact CG2-CG 3.92Å; I317-V427 CarbonylContact C-O 3.59Å; I317-V427 WeakPolarHBondContact CA-O 3.39Å; I317-Y428 HydrophobicContact CD1-CD1 4.27Å; I317-Y428 HydrophobicContact CD1-CE1 3.66Å; I317-Y428 HydrophobicContact CG1-CD1 3.61Å; I317-Y428 HydrophobicContact CG1-CE1 3.52Å; I317-Y428 HydrophobicContact CG1-CG 4.36Å
318T94.1Very high86.8Confident0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-131136.8166.2-172.10000110.5Y298 L303 S320 V377 V427 I429Y298-T318 WeakPolarHBondContact O-CB 3.46Å; Y298-T318 PolarHBondContact O-OG1 3.29Å; Y298-T318 VanDerWaalsContact O-OG1 3.06Å; L303-T318 HydrophobicContact CD1-CG2 4.32Å; T318-S320 WeakPolarHBondContact CG2-OG 3.33Å; T318-S320 PolarHBondContact O-N 3.34Å; T318-V377 HydrophobicContact CG2-CG1 4.03Å; T318-V427 HydrophobicContact CG2-CB 3.96Å; T318-V427 PolarHBondContact N-O 2.93Å; T318-V427 PolarHBondContact O-N 2.89Å; T318-I429 HydrophobicContact CG2-CG2 4.28Å
319Y94.3Very high86.7Confident7 Ų741.6 Ų41.63%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-96.490.3176.2-71.7-83.4000108.8V297 I317 C425 K426 A451 E455 V456 N459V297-Y319 HydrophobicContact CG1-CD2 3.69Å; V297-Y319 HydrophobicContact CG1-CE2 3.83Å; V297-Y319 HydrophobicContact CG2-CE2 4.29Å; I317-Y319 HydrophobicContact CG2-CD2 4.31Å; I317-Y319 HydrophobicContact CG2-CE2 3.94Å; Y319-C425 WeakPolarHBondContact CA-O 3.41Å; Y319-K426 HydrophobicContact CD1-CB 4.26Å; Y319-K426 HydrophobicContact CD1-CG 4.43Å; Y319-K426 HydrophobicContact CE1-CB 3.96Å; Y319-K426 HydrophobicContact CE1-CD 4.12Å; Y319-K426 HydrophobicContact CE1-CG 3.84Å; Y319-K426 WeakPolarHBondContact OH-CE 3.49Å; Y319-A451 HydrophobicContact CD1-CB 3.91Å; Y319-A451 HydrophobicContact CE1-CB 4.28Å; Y319-E455 HydrophobicContact CE1-CB 4.24Å; Y319-E455 PolarHBondContact OH-OE2 3.1Å; Y319-V456 HydrophobicContact CD1-CG2 3.66Å; Y319-V456 HydrophobicContact CE1-CG2 4.16Å; Y319-V456 HydrophobicContact CG-CG2 4.36Å; Y319-N459 HydrophobicContact CD2-CB 4.19Å; Y319-N459 HydrophobicContact CE2-CB 3.78Å; Y319-N459 PolarHBondContact OH-ND2 3.23Å
320S94.4Very high86.8Confident0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-140.4164.2-161.858.50000111.3T318 V377 T378 C425 V427T318-S320 WeakPolarHBondContact CG2-OG 3.33Å; T318-S320 PolarHBondContact O-N 3.34Å; S320-V377 WeakPolarHBondContact OG-CG1 3.33Å; S320-T378 CarbonylContact C-O 3.5Å; S320-T378 WeakPolarHBondContact CB-O 3.49Å; S320-C425 PolarHBondContact N-O 3.48Å; S320-C425 WeakPolarHBondContact O-CA 3.29Å; S320-C425 PolarHBondContact O-N 3.42Å; S320-C425 VanDerWaalsContact O-O 3.13Å; S320-V427 WeakPolarHBondContact OG-CG2 3.46Å
321F94.8Very high87.4Confident54 Ų5436 Ų3624%0.23720%0.201CC..EExtended strand (participates in β ladder)trans-90.6142.2173.5-54.9-80.7000110.5S323 V377 T378 L422 R424F321-S323 PolarHBondContact O-N 3.15Å; F321-V377 WeakPolarHBondContact O-CA 3.27Å; F321-T378 WeakPolarHBondContact CD2-O 3.47Å; F321-T378 PolarHBondContact N-O 3.38Å; F321-T378 PolarHBondContact O-N 2.58Å; F321-L422 WeakPolarHBondContact CD1-O 3.49Å; F321-L422 WeakPolarHBondContact CE1-O 3.37Å; F321-R424 HydrophobicContact CD1-CB 4.19Å; F321-R424 HydrophobicContact CE1-CB 3.88Å
322I95.1Very high87.9Confident4 Ų436 Ų362%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-76.2105158.5-59.3-163.8000106.8K324 L325 V375 D376 I420 L421 L422I322-K324 WeakPolarHBondContact CG2-O 3.47Å; I322-L325 HydrophobicContact CG2-CB 3.86Å; I322-V375 HydrophobicContact CG2-CB 4.15Å; I322-V375 HydrophobicContact CG2-CG1 4.34Å; I322-D376 CarbonylContact C-O 3.45Å; I322-D376 WeakPolarHBondContact CA-O 3.43Å; I322-I420 HydrophobicContact CD1-CG2 3.82Å; I322-I420 HydrophobicContact CG1-CG2 4.32Å; I322-L421 WeakPolarHBondContact O-CD1 3.09Å; I322-L422 PolarHBondContact O-N 2.7Å
323S93.8Very high88.1Confident43 Ų4337.9 Ų37.930%0.30121%0.21SC..EExtended strand (participates in β ladder)trans-92.9-13.2-176.257.50000113.6F321 D376 T378F321-S323 PolarHBondContact O-N 3.15Å; S323-D376 PolarHBondContact N-O 3.22Å; S323-D376 WeakPolarHBondContact OG-CB 3.47Å; S323-D376 PolarHBondContact OG-O 3.2Å; S323-T378 WeakPolarHBondContact CB-OG1 3.49Å; S323-T378 PolarHBondContact OG-OG1 3.43Å
324K93.5Very high88.3Confident86 Ų8634.9 Ų34.937%0.37419%0.191SC..EExtended strand (participates in β ladder)trans-141.5125.6173.5-173.4-176.2175.9-1750109.6I322 D326 V375 D376I322-K324 WeakPolarHBondContact CG2-O 3.47Å; K324-D326 WeakPolarHBondContact CE-OD2 3.3Å; K324-D326 IonicContact NZ-OD2 2.76Å; K324-V375 VanDerWaalsContact O-CA 3.26Å; K324-V375 WeakPolarHBondContact O-CA 3.33Å; K324-V375 WeakPolarHBondContact O-CB 3.23Å; K324-D376 HydrophobicContact CB-CB 3.62Å; K324-D376 PolarHBondContact O-N 3.38Å
325L92.3Very high88.3Confident3 Ų334.8 Ų34.82%0.01619%0.191CC..  trans-155.6111.9178.7175.162.3000108.4I322 L327 L373 V375 K417 L421I322-L325 HydrophobicContact CG2-CB 3.86Å; L325-L327 HydrophobicContact CD1-CD2 3.94Å; L325-L327 HydrophobicContact CD1-CG 4.04Å; L325-L327 HydrophobicContact CD2-CD1 4.11Å; L325-L327 HydrophobicContact CD2-CG 4.3Å; L325-L327 HydrophobicContact CG-CD1 4.29Å; L325-L327 HydrophobicContact CG-CD2 4.38Å; L325-L327 HydrophobicContact CG-CG 3.92Å; L325-L373 HydrophobicContact CD1-CD1 4.2Å; L325-V375 HydrophobicContact CD1-CG1 3.76Å; L325-K417 VanDerWaalsContact O-CD 3.23Å; L325-K417 WeakPolarHBondContact O-CD 3.47Å; L325-K417 WeakPolarHBondContact O-CE 3.32Å; L325-K417 PolarHBondContact O-NZ 2.93Å; L325-L421 HydrophobicContact CB-CD1 3.86Å
326D87.8Confident87.9Confident63 Ų6338 Ų3834%0.33720%0.201SC..  trans-106.677.8-171.5-63.2-33.2000110.7K324 T329 V334K324-D326 WeakPolarHBondContact CE-OD2 3.3Å; K324-D326 IonicContact NZ-OD2 2.76Å; D326-T329 HydrophobicContact CB-CG2 4.15Å; D326-V334 WeakPolarHBondContact O-CG2 3.3Å
327L88.9Confident87.2Confident0 Ų038.6 Ų38.60%021%0.205CC..  trans-92.4-23176.7-57.9-179.8000113.6L325 T329 V334 L373 L398 F405 M416 K417L325-L327 HydrophobicContact CD1-CD2 3.94Å; L325-L327 HydrophobicContact CD1-CG 4.04Å; L325-L327 HydrophobicContact CD2-CD1 4.11Å; L325-L327 HydrophobicContact CD2-CG 4.3Å; L325-L327 HydrophobicContact CG-CD1 4.29Å; L325-L327 HydrophobicContact CG-CD2 4.38Å; L325-L327 HydrophobicContact CG-CG 3.92Å; L327-T329 PolarHBondContact O-N 3.16Å; L327-V334 HydrophobicContact CD2-CG1 4.27Å; L327-L373 HydrophobicContact CD2-CD1 3.77Å; L327-L373 HydrophobicContact CD2-CD2 3.94Å; L327-L398 HydrophobicContact CD1-CD1 4.45Å; L327-L398 HydrophobicContact CD1-CD2 3.57Å; L327-L398 HydrophobicContact CD2-CD1 4.03Å; L327-L398 HydrophobicContact CD2-CD2 4.29Å; L327-F405 HydrophobicContact CB-CE2 4.22Å; L327-F405 HydrophobicContact CB-CZ 4.17Å; L327-F405 HydrophobicContact CD2-CE2 4.24Å; L327-F405 HydrophobicContact CD2-CZ 4.37Å; L327-M416 HydrophobicContact CD1-CB 4.45Å; L327-M416 HydrophobicContact CD1-CG 4.06Å; L327-M416 HydrophobicContact CD1-SD 4.23Å; L327-K417 HydrophobicContact CB-CB 4.26Å; L327-K417 HydrophobicContact CD1-CB 4.07Å; L327-K417 HydrophobicContact CG-CB 4.36Å
328D83.6Confident86.3Confident57 Ų5741.1 Ų41.131%0.30521%0.214SC..SBendtrans-83.815.4-177.852.3-22.8000112.6T414 K417D328-T414 WeakPolarHBondContact CB-OG1 3.36Å; D328-K417 WeakPolarHBondContact OD1-CD 3.4Å; D328-K417 IonicContact OD1-NZ 2.87Å; D328-K417 PolarHBondContact OD1-NZ 3.02Å; D328-K417 IonicContact OD2-NZ 3.07Å; D328-K417 PolarHBondContact OD2-NZ 3.13Å
329T78.4Confident85.1Confident46 Ų4641.2 Ų41.228%0.28222%0.215SC..SBendtrans-102.3-178.5174.668.20000111D326 L327 V331D326-T329 HydrophobicContact CB-CG2 4.15Å; L327-T329 PolarHBondContact O-N 3.16Å; T329-V331 PolarHBondContact O-N 3.12Å
330S81.8Confident83.9Confident57 Ų5742.8 Ų42.840%0.39923%0.226SC..  trans-57.4137.1178.562.70000111.6S332 K333S330-S332 PolarHBondContact O-N 3.28Å; S330-S332 PolarHBondContact OG-OG 2.88Å; S330-K333 WeakPolarHBondContact O-CB 3.24Å; S330-K333 PolarHBondContact O-N 2.85Å; S330-K333 WeakPolarHBondContact OG-CG 3.33Å
331V82.6Confident82.5Confident39 Ų3946.5 Ų46.524%0.23624%0.243CC..Hα-helixtrans-49.7-38-178.9179.40000112.6T329 K333 V334 I335 V406T329-V331 PolarHBondContact O-N 3.12Å; V331-K333 PolarHBondContact O-N 3.19Å; V331-K333 VanDerWaalsContact O-N 3.13Å; V331-V334 PolarHBondContact O-N 3.31Å; V331-I335 HydrophobicContact CG1-CB 4.41Å; V331-I335 HydrophobicContact CG1-CD1 4Å; V331-I335 HydrophobicContact CG1-CG1 4.43Å; V331-I335 PolarHBondContact O-N 3.37Å; V331-V406 HydrophobicContact CG1-CG2 3.91Å
332S77.6Confident80.7Confident91 Ų9145.5 Ų45.564%0.63624%0.242SC*.Hα-helixtrans-63.7-14.3178.656.50000115.2S330S330-S332 PolarHBondContact O-N 3.28Å; S330-S332 PolarHBondContact OG-OG 2.88Å
333K79.4Confident79Confident137 Ų13750.8 Ų50.860%0.59626%0.262SS*.Hα-helixtrans-91.4-20.4173.1-66.9178.8-177.5177.90112.8S330 V331S330-K333 WeakPolarHBondContact O-CB 3.24Å; S330-K333 PolarHBondContact O-N 2.85Å; S330-K333 WeakPolarHBondContact OG-CG 3.33Å; V331-K333 PolarHBondContact O-N 3.19Å; V331-K333 VanDerWaalsContact O-N 3.13Å
334V83.1Confident77.5Confident1 Ų154.3 Ų54.31%0.00627%0.269CS..Hα-helixtrans-99.9-41.2-174.71740000111.3D326 L327 V331 F371 D372 L373 F405D326-V334 WeakPolarHBondContact O-CG2 3.3Å; L327-V334 HydrophobicContact CD2-CG1 4.27Å; V331-V334 PolarHBondContact O-N 3.31Å; V334-F371 HydrophobicContact CG1-CD1 3.59Å; V334-F371 HydrophobicContact CG1-CE1 3.75Å; V334-F371 WeakPolarHBondContact O-CA 3.48Å; V334-D372 PolarHBondContact O-N 3.01Å; V334-L373 HydrophobicContact CB-CD2 4.23Å; V334-L373 HydrophobicContact CG1-CD2 3.78Å; V334-L373 HydrophobicContact CG1-CG 4.38Å; V334-L373 HydrophobicContact CG2-CD2 4.16Å; V334-F405 HydrophobicContact CB-CE1 4Å; V334-F405 HydrophobicContact CB-CZ 4.31Å; V334-F405 HydrophobicContact CG1-CD1 4.27Å; V334-F405 HydrophobicContact CG1-CE1 3.55Å; V334-F405 HydrophobicContact CG1-CE2 4.43Å; V334-F405 HydrophobicContact CG1-CZ 3.65Å; V334-F405 HydrophobicContact CG2-CE1 4.4Å; V334-F405 HydrophobicContact CG2-CZ 4.37Å
335I84.4Confident76.2Confident16 Ų1655 Ų558%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-108.3134.6179.3-62.6176.7000108.3V331 F371 P402 F405 V406V331-I335 HydrophobicContact CG1-CB 4.41Å; V331-I335 HydrophobicContact CG1-CD1 4Å; V331-I335 HydrophobicContact CG1-CG1 4.43Å; V331-I335 PolarHBondContact O-N 3.37Å; I335-F371 HydrophobicContact CG1-CD1 4.17Å; I335-F371 HydrophobicContact CG1-CE1 4.19Å; I335-P402 HydrophobicContact CD1-CB 4Å; I335-P402 WeakPolarHBondContact CD1-O 3.43Å; I335-F405 HydrophobicContact CD1-CB 4.31Å; I335-F405 HydrophobicContact CD1-CD1 3.75Å; I335-F405 HydrophobicContact CD1-CG 4.42Å; I335-F405 HydrophobicContact CG1-CD1 4.29Å; I335-V406 HydrophobicContact CD1-CG2 3.67Å
336R79.9Confident75.2Confident87 Ų8755.2 Ų55.233%0.32828%0.276SS..EExtended strand (participates in β ladder)trans-127138.3173.6-68.5-159-171.2161.3-0.8112.4G370 D372R336-G370 PolarHBondContact N-O 3.34Å; R336-G370 PolarHBondContact O-N 2.89Å; R336-D372 HydrophobicContact CB-CB 4.07Å; R336-D372 WeakPolarHBondContact CD-OD2 3.4Å; R336-D372 HydrophobicContact CG-CB 3.9Å; R336-D372 IonicContact CZ-OD2 3.66Å; R336-D372 VanDerWaalsContact CZ-OD2 3.24Å; R336-D372 IonicContact NE-OD2 2.7Å; R336-D372 PolarHBondContact NE-OD2 3.41Å; R336-D372 IonicContact NH1-OD2 2.58Å; R336-D372 PolarHBondContact NH1-OD2 3.02Å
337S78.3Confident74.3Confident12 Ų1256.6 Ų56.68%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-92.6125.9178.3-580000108.7V346 E348 T369S337-V346 WeakPolarHBondContact CB-O 3.39Å; S337-V346 PolarHBondContact O-N 3.34Å; S337-E348 PolarHBondContact OG-OE1 3.04Å; S337-T369 WeakPolarHBondContact OG-CG2 3.46Å
338R74.8Confident73Confident61 Ų6162.8 Ų62.823%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-126.1143.6179.9-70.8-180174.287.9-1.4109.9S340 R343 Y344 V367 T368 D372R338-S340 PolarHBondContact O-N 2.77Å; R338-R343 WeakPolarHBondContact CD-O 3.41Å; R338-R343 WeakPolarHBondContact CG-O 3.19Å; R338-Y344 CarbonylContact C-O 3.54Å; R338-Y344 VanDerWaalsContact CA-O 3.26Å; R338-Y344 WeakPolarHBondContact CA-O 3.48Å; R338-V367 CarbonylContact O-C 3.52Å; R338-V367 WeakPolarHBondContact O-CA 3.2Å; R338-T368 PolarHBondContact N-O 3.4Å; R338-T368 PolarHBondContact O-N 3.07Å; R338-D372 IonicContact CZ-OD2 2.66Å; R338-D372 IonicContact NH1-OD2 2.81Å; R338-D372 IonicContact NH2-OD1 2.67Å; R338-D372 PolarHBondContact NH2-OD1 3.47Å; R338-D372 IonicContact NH2-OD2 3.02Å; R338-D372 PolarHBondContact NH2-OD2 3.05Å
339C68.3Low71.9Confident2 Ų268.2 Ų68.21%0.01434%0.335CS..EExtended strand (participates in β ladder)trans-58.2129.5172.9179.70000109.7K341 R343 Y344 V346 C353 C358 L365C339-K341 PolarHBondContact O-N 2.77Å; C339-R343 WeakPolarHBondContact O-CA 3.13Å; C339-R343 PolarHBondContact O-N 2.85Å; C339-Y344 PolarHBondContact N-O 2.96Å; C339-V346 HydrophobicContact CB-CG1 4.18Å; C339-C353 HydrophobicContact CB-CB 4.36Å; C339-C358 VanDerWaalsContact SG-SG 3.67Å; C339-L365 HydrophobicContact CB-CD1 3.95Å
340S68.8Low71.1Confident39 Ų3969.2 Ų69.227%0.27334%0.338SS..THydrogen-bonded Turntrans-58.4-29.3178.464.20000112.5R338 T366R338-S340 PolarHBondContact O-N 2.77Å; S340-T366 WeakPolarHBondContact CB-O 3.43Å; S340-T366 PolarHBondContact N-O 2.94Å; S340-T366 VanDerWaalsContact OG-CB 3.32Å; S340-T366 WeakPolarHBondContact OG-CB 3.42Å; S340-T366 PolarHBondContact OG-O 3.3Å; S340-T366 VanDerWaalsContact OG-O 3.12Å; S340-T366 PolarHBondContact OG-OG1 3.29Å
341K65.1Low70.4Confident78 Ų7874.9 Ų74.934%0.33936%0.359SS..THydrogen-bonded Turntrans-87.5-51-173.5-61.9-178.1177.1177.70113.6C339 P359 G360C339-K341 PolarHBondContact O-N 2.77Å; K341-P359 HydrophobicContact CB-CG 4.24Å; K341-G360 VanDerWaalsContact CD-CA 3.48Å
342C56.7Low69.7Low34 Ų3475.5 Ų75.523%0.2337%0.365CS..THydrogen-bonded Turntrans-109.9-0.9-177.270.60000114Y344 C353 C358C342-Y344 PolarHBondContact O-N 2.71Å; C342-Y344 WeakPolarHBondContact SG-CB 3.31Å; C342-C353 PolarHBondContact SG-SG 2.76Å; C342-C358 HydrophobicContact CB-CB 4.02Å; C342-C358 PolarHBondContact SG-SG 3.17Å
343R61.1Low69.2Low114 Ų11472 Ų7243%0.4334%0.34SS..  trans57.211.3-176.5-54.9-60.2-167.41791115.3R338 C339 T368R338-R343 WeakPolarHBondContact CD-O 3.41Å; R338-R343 WeakPolarHBondContact CG-O 3.19Å; C339-R343 WeakPolarHBondContact O-CA 3.13Å; C339-R343 PolarHBondContact O-N 2.85Å; R343-T368 VanDerWaalsContact NH1-CB 3.33Å; R343-T368 PolarHBondContact NH1-OG1 3.47Å
344Y60.5Low68.6Low117 Ų11768.6 Ų68.646%0.45933%0.333SS..  trans-64.3139.7175.2-166.2-98.8000110.5R338 C339 C342 V346 S354 N355R338-Y344 CarbonylContact C-O 3.54Å; R338-Y344 VanDerWaalsContact CA-O 3.26Å; R338-Y344 WeakPolarHBondContact CA-O 3.48Å; C339-Y344 PolarHBondContact N-O 2.96Å; C342-Y344 PolarHBondContact O-N 2.71Å; C342-Y344 WeakPolarHBondContact SG-CB 3.31Å; Y344-V346 PolarHBondContact O-N 2.98Å; Y344-S354 WeakPolarHBondContact CE1-OG 3.43Å; Y344-N355 HydrophobicContact CD1-CB 3.93Å; Y344-N355 HydrophobicContact CD2-CB 3.9Å; Y344-N355 HydrophobicContact CE1-CB 4.48Å; Y344-N355 HydrophobicContact CE2-CB 4.44Å; Y344-N355 HydrophobicContact CG-CB 3.62Å
345Q66.5Low67.6Low100 Ų10070.5 Ų70.547%0.46734%0.344SS..BIsolated β-bridgetrans-65.9123.6178-177176-25.900109.4
346V72.6Confident66.4Low9 Ų976.9 Ų76.96%0.05538%0.383CS..  trans-122.3148.1-177.7-69.50000109S337 C339 Y344 L365 V367S337-V346 WeakPolarHBondContact CB-O 3.39Å; S337-V346 PolarHBondContact O-N 3.34Å; C339-V346 HydrophobicContact CB-CG1 4.18Å; Y344-V346 PolarHBondContact O-N 2.98Å; V346-L365 HydrophobicContact CB-CD2 3.99Å; V346-L365 HydrophobicContact CG1-CD1 4.08Å; V346-L365 HydrophobicContact CG1-CD2 4.25Å; V346-L365 HydrophobicContact CG2-CD1 4.41Å; V346-L365 HydrophobicContact CG2-CD2 3.95Å; V346-V367 HydrophobicContact CG2-CG1 4.23Å; V346-V367 HydrophobicContact CG2-CG2 4.09Å
347N68.2Low65.3Low92 Ų9276.5 Ų76.549%0.49240%0.399SS..  trans-89139.3168-162.511.6000108.2E349 I350N347-E349 PolarHBondContact O-N 3.24Å; N347-E349 VanDerWaalsContact O-N 3.12Å; N347-I350 HydrophobicContact CB-CD1 3.97Å; N347-I350 HydrophobicContact CB-CG1 4.19Å; N347-I350 PolarHBondContact O-N 2.93Å; N347-I350 VanDerWaalsContact O-N 3.1Å
348E60.7Low64.1Low129 Ų12976.4 Ų76.460%0.60340%0.398SS*.THydrogen-bonded Turntrans-64-19.6-173.5-70.2179.2177.300113.2S337 I350S337-E348 PolarHBondContact OG-OE1 3.04Å; E348-I350 PolarHBondContact O-N 2.97Å
349E60.5Low63.3Low172 Ų17278.6 Ų78.680%0.80442%0.42SS*.THydrogen-bonded Turntrans-73.5-8.6177.2-61177.9177.300113.8N347N347-E349 PolarHBondContact O-N 3.24Å; N347-E349 VanDerWaalsContact O-N 3.12Å
350I63.2Low62.9Low67 Ų6778.8 Ų78.834%0.34442%0.423SS..  trans-99.5123.9-175-48174.2000109.6N347 E348 S352 L365N347-I350 HydrophobicContact CB-CD1 3.97Å; N347-I350 HydrophobicContact CB-CG1 4.19Å; N347-I350 PolarHBondContact O-N 2.93Å; N347-I350 VanDerWaalsContact O-N 3.1Å; E348-I350 PolarHBondContact O-N 2.97Å; I350-S352 VanDerWaalsContact C-N 3.29Å; I350-S352 WeakPolarHBondContact CG2-O 3.5Å; I350-S352 PolarHBondContact O-N 3.49Å; I350-L365 WeakPolarHBondContact O-CD2 3.33Å
351Q65.6Low62.7Low176 Ų17679.2 Ų79.282%0.82243%0.433SS*.SBendtrans-78.1-9.4-176.8-66-178-10.400114.4L365Q351-L365 WeakPolarHBondContact O-CB 3.26Å; Q351-L365 PolarHBondContact O-N 2.88Å
352S68Low62.3Low52 Ų5283.5 Ų83.536%0.36446%0.46SS..SBendtrans-138.6159.4179.161.30000111.2I350 S354I350-S352 VanDerWaalsContact C-N 3.29Å; I350-S352 WeakPolarHBondContact CG2-O 3.5Å; I350-S352 PolarHBondContact O-N 3.49Å; S352-S354 PolarHBondContact O-N 2.92Å
353C67.1Low62.7Low17 Ų1787.4 Ų87.412%0.11547%0.474CS..  trans-75124.4179-171.20000110.4C339 C342 N355 C358 L365C339-C353 HydrophobicContact CB-CB 4.36Å; C342-C353 PolarHBondContact SG-SG 2.76Å; C353-N355 PolarHBondContact O-N 3.39Å; C353-C358 HydrophobicContact CB-CB 4Å; C353-L365 HydrophobicContact CB-CD1 3.91Å
354S67.6Low63Low66 Ų6687.2 Ų87.246%0.46249%0.488SS..SBendtrans-70.1-8.3178.454.20000114.4Y344 S352 T356Y344-S354 WeakPolarHBondContact CE1-OG 3.43Å; S352-S354 PolarHBondContact O-N 2.92Å; S354-T356 PolarHBondContact O-N 2.89Å
355N61.8Low63.4Low41 Ų4183.1 Ų83.122%0.21947%0.474CS..  trans-79.3111.9174.8-177.18.1000110.3Y344 C353 A357 C358Y344-N355 HydrophobicContact CD1-CB 3.93Å; Y344-N355 HydrophobicContact CD2-CB 3.9Å; Y344-N355 HydrophobicContact CE1-CB 4.48Å; Y344-N355 HydrophobicContact CE2-CB 4.44Å; Y344-N355 HydrophobicContact CG-CB 3.62Å; C353-N355 PolarHBondContact O-N 3.39Å; N355-A357 PolarHBondContact O-N 2.93Å; N355-A357 VanDerWaalsContact O-N 3.16Å; N355-A357 PolarHBondContact OD1-N 2.86Å; N355-A357 VanDerWaalsContact OD1-N 3.12Å; N355-C358 HydrophobicContact CB-CB 4.2Å; N355-C358 WeakPolarHBondContact O-CB 3.46Å; N355-C358 PolarHBondContact O-N 2.83Å
356T60Low63.7Low150 Ų15081.8 Ų81.892%0.9247%0.473SS*.THydrogen-bonded Turntrans-65.1-15.6179.753.20000113.9S354S354-T356 PolarHBondContact O-N 2.89Å
357A56.1Low63.8Low78 Ų7884 Ų8465%0.64549%0.486SS*.THydrogen-bonded Turntrans-96.68.2172.900000113.1N355N355-A357 PolarHBondContact O-N 2.93Å; N355-A357 VanDerWaalsContact O-N 3.16Å; N355-A357 PolarHBondContact OD1-N 2.86Å; N355-A357 VanDerWaalsContact OD1-N 3.12Å
358C53.6Low64Low11 Ų1182.6 Ų82.67%0.07448%0.481CS..  trans-70127.4177.7-174.30000110.3C339 C342 C353 N355 G360 G361C339-C358 VanDerWaalsContact SG-SG 3.67Å; C342-C358 HydrophobicContact CB-CB 4.02Å; C342-C358 PolarHBondContact SG-SG 3.17Å; C353-C358 HydrophobicContact CB-CB 4Å; N355-C358 HydrophobicContact CB-CB 4.2Å; N355-C358 WeakPolarHBondContact O-CB 3.46Å; N355-C358 PolarHBondContact O-N 2.83Å; C358-G360 PolarHBondContact O-N 2.98Å; C358-G360 PolarHBondContact SG-N 2.91Å; C358-G361 PolarHBondContact O-N 3.17Å
359P57.4Low65Low106 Ų10679.1 Ų79.169%0.68847%0.469SS*.THydrogen-bonded Turntrans-65-5.4176.826.8-32.3000112.8K341K341-P359 HydrophobicContact CB-CG 4.24Å
360G59.5Low66.1Low7 Ų771.4 Ų71.47%0.07244%0.436CS..THydrogen-bonded Turntrans-79.5-17.5175.700000116K341 C358 D362 Q363K341-G360 VanDerWaalsContact CD-CA 3.48Å; C358-G360 PolarHBondContact O-N 2.98Å; C358-G360 PolarHBondContact SG-N 2.91Å; G360-D362 PolarHBondContact O-N 2.93Å; G360-Q363 WeakPolarHBondContact O-CB 3.42Å; G360-Q363 WeakPolarHBondContact O-CG 3.37Å; G360-Q363 PolarHBondContact O-N 3.32Å
361G65.3Low67Low48 Ų4868.3 Ų68.350%0.49542%0.42SS..THydrogen-bonded Turntrans44.6-127.1-178.700000113.6C358 Q363C358-G361 PolarHBondContact O-N 3.17Å; G361-Q363 VanDerWaalsContact C-N 3.32Å
362D57.2Low67.9Low167 Ų16760.9 Ų60.989%0.89339%0.386SS*.THydrogen-bonded Turntrans-83.35.8177.3-68.7-33.7000114.7G360G360-D362 PolarHBondContact O-N 2.93Å
363Q64.3Low68.7Low116 Ų11658.8 Ų58.854%0.54237%0.37SS..SBendtrans-70.6148.9177.4-63.2-177.87.100110.7G360 G361 L365G360-Q363 WeakPolarHBondContact O-CB 3.42Å; G360-Q363 WeakPolarHBondContact O-CG 3.37Å; G360-Q363 PolarHBondContact O-N 3.32Å; G361-Q363 VanDerWaalsContact C-N 3.32Å; Q363-L365 PolarHBondContact O-N 3.37Å
364P66.9Low69.6Low110 Ų11062.8 Ų62.871%0.71439%0.39SS*.PPolyproline II helixtrans-54.8131.4-179.519.3-30.9000110.9T366P364-T366 PolarHBondContact O-N 2.87Å; P364-T366 VanDerWaalsContact O-N 3.11Å
365L69.8Low70.8Confident31 Ų3159.6 Ų59.616%0.16237%0.368CS..PPolyproline II helixtrans-60.1116.2-178.7179.167.2000109.9C339 V346 I350 Q351 C353 Q363 V367C339-L365 HydrophobicContact CB-CD1 3.95Å; V346-L365 HydrophobicContact CB-CD2 3.99Å; V346-L365 HydrophobicContact CG1-CD1 4.08Å; V346-L365 HydrophobicContact CG1-CD2 4.25Å; V346-L365 HydrophobicContact CG2-CD1 4.41Å; V346-L365 HydrophobicContact CG2-CD2 3.95Å; I350-L365 WeakPolarHBondContact O-CD2 3.33Å; Q351-L365 WeakPolarHBondContact O-CB 3.26Å; Q351-L365 PolarHBondContact O-N 2.88Å; C353-L365 HydrophobicContact CB-CD1 3.91Å; Q363-L365 PolarHBondContact O-N 3.37Å; L365-V367 HydrophobicContact CD1-CG2 4.38Å; L365-V367 HydrophobicContact CD2-CG2 3.64Å; L365-V367 HydrophobicContact CG-CG2 3.6Å
366T71.8Confident72.3Confident72 Ų7258.8 Ų58.844%0.44236%0.363SS..PPolyproline II helixtrans-96.4129.1164.9380000107.9S340 P364S340-T366 WeakPolarHBondContact CB-O 3.43Å; S340-T366 PolarHBondContact N-O 2.94Å; S340-T366 VanDerWaalsContact OG-CB 3.32Å; S340-T366 WeakPolarHBondContact OG-CB 3.42Å; S340-T366 PolarHBondContact OG-O 3.3Å; S340-T366 VanDerWaalsContact OG-O 3.12Å; S340-T366 PolarHBondContact OG-OG1 3.29Å; P364-T366 PolarHBondContact O-N 2.87Å; P364-T366 VanDerWaalsContact O-N 3.11Å
367V74.5Confident74Confident56 Ų5651.7 Ų51.734%0.33932%0.32SS..EExtended strand (participates in β ladder)trans-114.3138.6-171.7-178.10000109.1R338 V346 L365 T369R338-V367 CarbonylContact O-C 3.52Å; R338-V367 WeakPolarHBondContact O-CA 3.2Å; V346-V367 HydrophobicContact CG2-CG1 4.23Å; V346-V367 HydrophobicContact CG2-CG2 4.09Å; L365-V367 HydrophobicContact CD1-CG2 4.38Å; L365-V367 HydrophobicContact CD2-CG2 3.64Å; L365-V367 HydrophobicContact CG-CG2 3.6Å; V367-T369 HydrophobicContact CG1-CG2 4.25Å
368T73.1Confident75.8Confident62 Ų6249.2 Ų49.238%0.3830%0.297SS..EExtended strand (participates in β ladder)trans-107.3117.8162-51.40000107.8R338 R343R338-T368 PolarHBondContact N-O 3.4Å; R338-T368 PolarHBondContact O-N 3.07Å; R343-T368 VanDerWaalsContact NH1-CB 3.33Å; R343-T368 PolarHBondContact NH1-OG1 3.47Å
369T80.8Confident77.7Confident56 Ų5649.4 Ų49.434%0.34430%0.297SS..EExtended strand (participates in β ladder)trans-89.3142.6171.943.60000109.3S337 V367S337-T369 WeakPolarHBondContact OG-CG2 3.46Å; V367-T369 HydrophobicContact CG1-CG2 4.25Å
370G83.9Confident79.3Confident11 Ų1150.6 Ų50.611%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-169162.7175.900000112R336R336-G370 PolarHBondContact N-O 3.34Å; R336-G370 PolarHBondContact O-N 2.89Å
371F82.9Confident80.9Confident1 Ų152.6 Ų52.60%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-62.5138.1174.3-70.2-74.5000111.4V334 I335 L373 N390 G391 A394 E395 L398 C400 P402 F405V334-F371 HydrophobicContact CG1-CD1 3.59Å; V334-F371 HydrophobicContact CG1-CE1 3.75Å; V334-F371 WeakPolarHBondContact O-CA 3.48Å; I335-F371 HydrophobicContact CG1-CD1 4.17Å; I335-F371 HydrophobicContact CG1-CE1 4.19Å; F371-L373 HydrophobicContact CD1-CD1 4.35Å; F371-N390 VanDerWaalsContact O-CA 3.28Å; F371-N390 WeakPolarHBondContact O-CA 3.49Å; F371-G391 PolarHBondContact O-N 2.79Å; F371-A394 HydrophobicContact CB-CB 3.5Å; F371-A394 VanDerWaalsContact CB-CB 3.5Å; F371-A394 HydrophobicContact CD2-CB 4.15Å; F371-A394 HydrophobicContact CG-CB 4Å; F371-E395 HydrophobicContact CD2-CG 3.68Å; F371-E395 HydrophobicContact CE2-CG 3.83Å; F371-L398 HydrophobicContact CD1-CD1 4.13Å; F371-L398 HydrophobicContact CE1-CD1 3.82Å; F371-L398 HydrophobicContact CE2-CD1 4.35Å; F371-L398 HydrophobicContact CZ-CD1 3.93Å; F371-C400 WeakPolarHBondContact CE2-O 3.33Å; F371-P402 HydrophobicContact CD2-CG 4.09Å; F371-P402 HydrophobicContact CE2-CG 4.03Å; F371-F405 HydrophobicContact CE1-CB 4.05Å; F371-F405 HydrophobicContact CE1-CD1 4.02Å; F371-F405 AromaticContact CE1-CD2 3.81Å; F371-F405 HydrophobicContact CE1-CD2 3.81Å; F371-F405 HydrophobicContact CE1-CE1 4.45Å; F371-F405 HydrophobicContact CE1-CE2 4.25Å; F371-F405 AromaticContact CE1-CG 3.68Å; F371-F405 HydrophobicContact CE1-CG 3.68Å; F371-F405 HydrophobicContact CZ-CB 3.67Å; F371-F405 AromaticContact CZ-CD2 3.94Å; F371-F405 HydrophobicContact CZ-CD2 3.94Å; F371-F405 AromaticContact CZ-CG 3.79Å; F371-F405 HydrophobicContact CZ-CG 3.79Å
372D83.3Confident82.1Confident21 Ų2151.3 Ų51.311%0.11229%0.291CS..EExtended strand (participates in β ladder)trans-136.875.5174-170.129.3000109.5V334 R336 R338 N390V334-D372 PolarHBondContact O-N 3.01Å; R336-D372 HydrophobicContact CB-CB 4.07Å; R336-D372 WeakPolarHBondContact CD-OD2 3.4Å; R336-D372 HydrophobicContact CG-CB 3.9Å; R336-D372 IonicContact CZ-OD2 3.66Å; R336-D372 VanDerWaalsContact CZ-OD2 3.24Å; R336-D372 IonicContact NE-OD2 2.7Å; R336-D372 PolarHBondContact NE-OD2 3.41Å; R336-D372 IonicContact NH1-OD2 2.58Å; R336-D372 PolarHBondContact NH1-OD2 3.02Å; R338-D372 IonicContact CZ-OD2 2.66Å; R338-D372 IonicContact NH1-OD2 2.81Å; R338-D372 IonicContact NH2-OD1 2.67Å; R338-D372 PolarHBondContact NH2-OD1 3.47Å; R338-D372 IonicContact NH2-OD2 3.02Å; R338-D372 PolarHBondContact NH2-OD2 3.05Å; D372-N390 WeakPolarHBondContact CA-OD1 3.15Å; D372-N390 VanDerWaalsContact OD1-CG 3.27Å; D372-N390 PolarHBondContact OD1-ND2 2.78Å; D372-N390 PolarHBondContact OD1-OD1 2.99Å
373L85.5Confident83.9Confident8 Ų845.5 Ų45.54%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-99.1146.3-173.2-66.8164.9000111.4L325 L327 V334 F371 L389 N390 L398L325-L373 HydrophobicContact CD1-CD1 4.2Å; L327-L373 HydrophobicContact CD2-CD1 3.77Å; L327-L373 HydrophobicContact CD2-CD2 3.94Å; V334-L373 HydrophobicContact CB-CD2 4.23Å; V334-L373 HydrophobicContact CG1-CD2 3.78Å; V334-L373 HydrophobicContact CG1-CG 4.38Å; V334-L373 HydrophobicContact CG2-CD2 4.16Å; F371-L373 HydrophobicContact CD1-CD1 4.35Å; L373-L389 HydrophobicContact CB-CB 4.22Å; L373-L389 WeakPolarHBondContact CB-O 3.4Å; L373-L389 HydrophobicContact CD1-CD2 4.4Å; L373-L389 PolarHBondContact N-O 3.45Å; L373-L389 VanDerWaalsContact N-O 3.07Å; L373-L389 PolarHBondContact O-N 3.39Å; L373-N390 PolarHBondContact N-OD1 2.96Å; L373-N390 VanDerWaalsContact N-OD1 3.16Å; L373-N390 PolarHBondContact O-OD1 2.89Å; L373-L398 HydrophobicContact CD1-CD1 4.06Å
374L87.1Confident85.2Confident100 Ų10040.1 Ų40.152%0.52424%0.236SC..EExtended strand (participates in β ladder)trans-110.9120.2166.5-66.1177.4000108.9C387L374-C387 WeakPolarHBondContact CA-O 3.44Å
375V91.4Very high86.2Confident0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans-118.4151.4-178.6-60.10000111.4I322 K324 L325 V377 S386 C387 L389 V445I322-V375 HydrophobicContact CG2-CB 4.15Å; I322-V375 HydrophobicContact CG2-CG1 4.34Å; K324-V375 VanDerWaalsContact O-CA 3.26Å; K324-V375 WeakPolarHBondContact O-CA 3.33Å; K324-V375 WeakPolarHBondContact O-CB 3.23Å; L325-V375 HydrophobicContact CD1-CG1 3.76Å; V375-V377 HydrophobicContact CG2-CG2 4.4Å; V375-S386 PolarHBondContact O-N 3.25Å; V375-C387 HydrophobicContact CG2-CB 4.08Å; V375-C387 PolarHBondContact N-O 2.89Å; V375-C387 WeakPolarHBondContact O-CB 3.37Å; V375-C387 PolarHBondContact O-N 2.81Å; V375-L389 HydrophobicContact CG1-CB 4.2Å; V375-L389 HydrophobicContact CG1-CD2 3.94Å; V375-L389 HydrophobicContact CG2-CB 4.15Å; V375-V445 HydrophobicContact CG2-CG2 4.19Å
376D94Very high87Confident23 Ų2342.1 Ų42.112%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-103132.6169.8-66.9-10.6000109.2I322 S323 K324 T383 L384 Q385 S386I322-D376 CarbonylContact C-O 3.45Å; I322-D376 WeakPolarHBondContact CA-O 3.43Å; S323-D376 PolarHBondContact N-O 3.22Å; S323-D376 WeakPolarHBondContact OG-CB 3.47Å; S323-D376 PolarHBondContact OG-O 3.2Å; K324-D376 HydrophobicContact CB-CB 3.62Å; K324-D376 PolarHBondContact O-N 3.38Å; D376-T383 HydrophobicContact CB-CG2 3.95Å; D376-L384 WeakPolarHBondContact CA-O 3.38Å; D376-Q385 VanDerWaalsContact OD1-CA 3.24Å; D376-Q385 WeakPolarHBondContact OD1-CA 3.5Å; D376-S386 PolarHBondContact OD1-N 3.1Å
377V94.8Very high87.7Confident1 Ų138.7 Ų38.71%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-110.3117.5-178.2-178.90000108.1T318 S320 F321 V375 T383 L384 C387T318-V377 HydrophobicContact CG2-CG1 4.03Å; S320-V377 WeakPolarHBondContact OG-CG1 3.33Å; F321-V377 WeakPolarHBondContact O-CA 3.27Å; V375-V377 HydrophobicContact CG2-CG2 4.4Å; V377-T383 CarbonylContact O-C 3.56Å; V377-T383 WeakPolarHBondContact O-CA 3.43Å; V377-L384 HydrophobicContact CB-CB 4.46Å; V377-L384 PolarHBondContact N-O 3.13Å; V377-L384 PolarHBondContact O-N 2.84Å; V377-C387 HydrophobicContact CG2-CB 4.33Å
378T94.8Very high88.3Confident27 Ų2736.9 Ų36.917%0.16621%0.212CC..EExtended strand (participates in β ladder)trans-126135.1-172-63.50000111.9S320 F321 S323 G382 T383S320-T378 CarbonylContact C-O 3.5Å; S320-T378 WeakPolarHBondContact CB-O 3.49Å; F321-T378 WeakPolarHBondContact CD2-O 3.47Å; F321-T378 PolarHBondContact N-O 3.38Å; F321-T378 PolarHBondContact O-N 2.58Å; S323-T378 WeakPolarHBondContact CB-OG1 3.49Å; S323-T378 PolarHBondContact OG-OG1 3.43Å; T378-G382 WeakPolarHBondContact CA-O 2.83Å; T378-T383 WeakPolarHBondContact CG2-OG1 3.35Å; T378-T383 WeakPolarHBondContact OG1-CB 3.03Å; T378-T383 WeakPolarHBondContact OG1-CG2 3.44Å; T378-T383 PolarHBondContact OG1-OG1 2.7Å
379D93.6Very high88.8Confident14 Ų1434 Ų348%0.07519%0.194CC..EExtended strand (participates in β ladder)trans-125.9-168.5165.974.93.9000110.8T299 V300 T381 G382T299-D379 VanDerWaalsContact CA-OD2 3.24Å; T299-D379 WeakPolarHBondContact CA-OD2 3.23Å; T299-D379 WeakPolarHBondContact CB-OD2 3.42Å; V300-D379 WeakPolarHBondContact CB-OD1 2.97Å; V300-D379 HydrophobicContact CG2-CB 4.07Å; V300-D379 VanDerWaalsContact CG2-CG 3.46Å; V300-D379 PolarHBondContact N-OD2 2.77Å; D379-T381 PolarHBondContact O-N 3.22Å; D379-T381 WeakPolarHBondContact OD1-CA 3.37Å; D379-T381 WeakPolarHBondContact OD1-CB 3.08Å; D379-T381 PolarHBondContact OD1-N 3.35Å; D379-T381 PolarHBondContact OD1-OG1 3.42Å; D379-T381 PolarHBondContact OD2-OG1 2.72Å; D379-G382 PolarHBondContact N-O 3.33Å; D379-G382 PolarHBondContact O-N 3.39Å; D379-G382 PolarHBondContact OD1-N 2.88Å
380H91.2Very high88.9Confident131 Ų13133.7 Ų33.761%0.60619%0.19SC*.THydrogen-bonded Turntrans-69.3-11.8179.667.2-77.2000114.2
381T92.1Very high88.8Confident49 Ų4934.3 Ų34.330%0.30120%0.197SC..THydrogen-bonded Turntrans-102.8-14-178.873.20000113.2T299 V300 S301 D379T299-T381 WeakPolarHBondContact CB-OG1 3.35Å; T299-T381 HydrophobicContact CG2-CG2 3.92Å; V300-T381 PolarHBondContact N-OG1 3.39Å; S301-T381 PolarHBondContact N-OG1 3.35Å; S301-T381 WeakPolarHBondContact OG-CB 2.95Å; S301-T381 PolarHBondContact OG-OG1 3.14Å; D379-T381 PolarHBondContact O-N 3.22Å; D379-T381 WeakPolarHBondContact OD1-CA 3.37Å; D379-T381 WeakPolarHBondContact OD1-CB 3.08Å; D379-T381 PolarHBondContact OD1-N 3.35Å; D379-T381 PolarHBondContact OD1-OG1 3.42Å; D379-T381 PolarHBondContact OD2-OG1 2.72Å
382G92.1Very high88.7Confident22 Ų2238.6 Ų38.623%0.22722%0.223CC..EExtended strand (participates in β ladder)trans152.2-166.816900000113.9T378 D379T378-G382 WeakPolarHBondContact CA-O 2.83Å; D379-G382 PolarHBondContact N-O 3.33Å; D379-G382 PolarHBondContact O-N 3.39Å; D379-G382 PolarHBondContact OD1-N 2.88Å
383T94Very high88.8Confident44 Ų4438.5 Ų38.527%0.2722%0.223SC..EExtended strand (participates in β ladder)trans-118.6129.1-177.3-56.80000112K304 D376 V377 T378 Q385K304-T383 WeakPolarHBondContact CE-O 3.28Å; K304-T383 PolarHBondContact NZ-O 3.02Å; D376-T383 HydrophobicContact CB-CG2 3.95Å; V377-T383 CarbonylContact O-C 3.56Å; V377-T383 WeakPolarHBondContact O-CA 3.43Å; T378-T383 WeakPolarHBondContact CG2-OG1 3.35Å; T378-T383 WeakPolarHBondContact OG1-CB 3.03Å; T378-T383 WeakPolarHBondContact OG1-CG2 3.44Å; T378-T383 PolarHBondContact OG1-OG1 2.7Å; T383-Q385 HydrophobicContact CG2-CG 3.91Å
384L91.1Very high88.9Confident3 Ų338.1 Ų38.12%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-94.1111.7166.3-172.168.3000109.1V300 D376 V377 C387 I429 I431 M441V300-L384 HydrophobicContact CG1-CB 4.1Å; D376-L384 WeakPolarHBondContact CA-O 3.38Å; V377-L384 HydrophobicContact CB-CB 4.46Å; V377-L384 PolarHBondContact N-O 3.13Å; V377-L384 PolarHBondContact O-N 2.84Å; L384-C387 WeakPolarHBondContact CD2-SG 3.28Å; L384-C387 VanDerWaalsContact CG-SG 3.54Å; L384-I429 HydrophobicContact CD2-CD1 3.33Å; L384-I431 HydrophobicContact CD2-CD1 3.52Å; L384-M441 HydrophobicContact CD1-CE 3.97Å; L384-M441 HydrophobicContact CD1-CG 4.26Å; L384-M441 HydrophobicContact CD1-SD 3.8Å
385Q89.1Confident88.9Confident118 Ų11836 Ų3655%0.55121%0.208SC*.EExtended strand (participates in β ladder)trans-89.9148.3-171-64.9177.3-39.900112.3D376 T383 C387D376-Q385 VanDerWaalsContact OD1-CA 3.24Å; D376-Q385 WeakPolarHBondContact OD1-CA 3.5Å; T383-Q385 HydrophobicContact CG2-CG 3.91Å; Q385-C387 PolarHBondContact O-N 3.48Å
386S85.3Confident88.8Confident65 Ų6544.3 Ų44.346%0.45525%0.245SC..EExtended strand (participates in β ladder)trans56.545.2169.9-53.10000113.7V375 D376V375-S386 PolarHBondContact O-N 3.25Å; D376-S386 PolarHBondContact OD1-N 3.1Å
387C86.8Confident88.6Confident0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-73.2135.7170.6-58.90000109.8L374 V375 V377 L384 Q385 G443 V445L374-C387 WeakPolarHBondContact CA-O 3.44Å; V375-C387 HydrophobicContact CG2-CB 4.08Å; V375-C387 PolarHBondContact N-O 2.89Å; V375-C387 WeakPolarHBondContact O-CB 3.37Å; V375-C387 PolarHBondContact O-N 2.81Å; V377-C387 HydrophobicContact CG2-CB 4.33Å; L384-C387 WeakPolarHBondContact CD2-SG 3.28Å; L384-C387 VanDerWaalsContact CG-SG 3.54Å; Q385-C387 PolarHBondContact O-N 3.48Å; C387-G443 CarbonylContact C-O 3.55Å; C387-G443 VanDerWaalsContact CA-O 3.3Å; C387-G443 WeakPolarHBondContact CA-O 3.31Å; C387-V445 HydrophobicContact CB-CG2 4.2Å
388S86.8Confident88.4Confident19 Ų1944.8 Ų44.813%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-76.2133.4175.855.30000111.3G443 N444 V445S388-G443 PolarHBondContact N-O 3.08Å; S388-G443 PolarHBondContact OG-O 2.92Å; S388-N444 PolarHBondContact O-OD1 2.62Å; S388-N444 WeakPolarHBondContact OG-CA 3.5Å; S388-N444 WeakPolarHBondContact OG-CB 3.41Å; S388-N444 PolarHBondContact OG-OD1 2.69Å; S388-V445 PolarHBondContact O-N 3.44Å
389L85.4Confident88.1Confident1 Ų146.7 Ų46.71%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-130.296.6173.4174.863.4000107.9L373 V375 V393 A394 T397 V445L373-L389 HydrophobicContact CB-CB 4.22Å; L373-L389 WeakPolarHBondContact CB-O 3.4Å; L373-L389 HydrophobicContact CD1-CD2 4.4Å; L373-L389 PolarHBondContact N-O 3.45Å; L373-L389 VanDerWaalsContact N-O 3.07Å; L373-L389 PolarHBondContact O-N 3.39Å; V375-L389 HydrophobicContact CG1-CB 4.2Å; V375-L389 HydrophobicContact CG1-CD2 3.94Å; V375-L389 HydrophobicContact CG2-CB 4.15Å; L389-V393 HydrophobicContact CD1-CB 4.42Å; L389-V393 HydrophobicContact CD1-CG1 3.81Å; L389-A394 HydrophobicContact CD1-CB 4.24Å; L389-A394 HydrophobicContact CG-CB 3.89Å; L389-T397 HydrophobicContact CD2-CG2 4.34Å; L389-V445 HydrophobicContact CD1-CB 4.03Å; L389-V445 HydrophobicContact CD1-CG1 3.91Å
390N83Confident88Confident49 Ų4946.5 Ų46.526%0.26227%0.272SS..EExtended strand (participates in β ladder)trans-130.4156.1-163.2-64.9-0.3000112.8F371 D372 L373 V393F371-N390 VanDerWaalsContact O-CA 3.28Å; F371-N390 WeakPolarHBondContact O-CA 3.49Å; D372-N390 WeakPolarHBondContact CA-OD1 3.15Å; D372-N390 VanDerWaalsContact OD1-CG 3.27Å; D372-N390 PolarHBondContact OD1-ND2 2.78Å; D372-N390 PolarHBondContact OD1-OD1 2.99Å; L373-N390 PolarHBondContact N-OD1 2.96Å; L373-N390 VanDerWaalsContact N-OD1 3.16Å; L373-N390 PolarHBondContact O-OD1 2.89Å; N390-V393 PolarHBondContact O-N 2.82Å
391G81Confident87.8Confident25 Ų2542.7 Ų42.726%0.25826%0.257SS..Hα-helixtrans55.4-137.6171.900000113.6F371 V393 A394 E395F371-G391 PolarHBondContact O-N 2.79Å; G391-V393 PolarHBondContact O-N 2.88Å; G391-A394 WeakPolarHBondContact O-CB 3.48Å; G391-A394 PolarHBondContact O-N 3.34Å; G391-E395 WeakPolarHBondContact O-CG 3.12Å; G391-E395 PolarHBondContact O-N 2.84Å
392T80.8Confident87.6Confident91 Ų9140.9 Ų40.956%0.55825%0.246SC*.Hα-helixtrans-61.2-27.1-175.757.40000113.8E395 K396T392-E395 PolarHBondContact O-N 2.95Å; T392-K396 WeakPolarHBondContact O-CB 3.27Å; T392-K396 VanDerWaalsContact O-CG 3.31Å; T392-K396 WeakPolarHBondContact O-CG 3.34Å; T392-K396 PolarHBondContact O-N 2.79Å
393V85.8Confident87.4Confident18 Ų1847.3 Ų47.311%0.10927%0.27CS..Hα-helixtrans-66.8-44174.9-176.20000110.2L389 N390 G391 T397 V445 L446L389-V393 HydrophobicContact CD1-CB 4.42Å; L389-V393 HydrophobicContact CD1-CG1 3.81Å; N390-V393 PolarHBondContact O-N 2.82Å; G391-V393 PolarHBondContact O-N 2.88Å; V393-T397 WeakPolarHBondContact O-CB 3.2Å; V393-T397 PolarHBondContact O-N 2.85Å; V393-T397 PolarHBondContact O-OG1 3.38Å; V393-V445 HydrophobicContact CG1-CG1 4.25Å; V393-L446 VanDerWaalsContact CG1-O 3.31Å; V393-L446 WeakPolarHBondContact CG1-O 3.42Å; V393-L446 WeakPolarHBondContact CG2-O 3.38Å
394A86.9Confident87.2Confident0 Ų049.7 Ų49.70%028%0.278CS..Hα-helixtrans-65.7-43.4175.700000111.1F371 L389 G391 K396 T397 L398F371-A394 HydrophobicContact CB-CB 3.5Å; F371-A394 VanDerWaalsContact CB-CB 3.5Å; F371-A394 HydrophobicContact CD2-CB 4.15Å; F371-A394 HydrophobicContact CG-CB 4Å; L389-A394 HydrophobicContact CD1-CB 4.24Å; L389-A394 HydrophobicContact CG-CB 3.89Å; G391-A394 WeakPolarHBondContact O-CB 3.48Å; G391-A394 PolarHBondContact O-N 3.34Å; A394-K396 PolarHBondContact O-N 2.89Å; A394-T397 PolarHBondContact O-N 3.05Å; A394-T397 VanDerWaalsContact O-N 3.16Å; A394-L398 WeakPolarHBondContact O-CB 3.3Å; A394-L398 VanDerWaalsContact O-CG 3.29Å; A394-L398 WeakPolarHBondContact O-CG 3.45Å; A394-L398 PolarHBondContact O-N 2.81Å
395E87.9Confident87.2Confident55 Ų5549.5 Ų49.526%0.25728%0.277SS..Hα-helixtrans-57.5-47.4177.5-66.3170.9-155.800111.8F371 G391 T392 L398 G399 C400F371-E395 HydrophobicContact CD2-CG 3.68Å; F371-E395 HydrophobicContact CE2-CG 3.83Å; G391-E395 WeakPolarHBondContact O-CG 3.12Å; G391-E395 PolarHBondContact O-N 2.84Å; T392-E395 PolarHBondContact O-N 2.95Å; E395-L398 PolarHBondContact O-N 2.9Å; E395-G399 WeakPolarHBondContact O-CA 3.35Å; E395-G399 PolarHBondContact O-N 2.8Å; E395-C400 WeakPolarHBondContact CA-O 3.47Å; E395-C400 PolarHBondContact O-N 2.76Å; E395-C400 VanDerWaalsContact O-N 3.16Å
396K88.5Confident87.2Confident175 Ų17547.8 Ų47.876%0.76128%0.275SS*.Hα-helixtrans-64.5-40.3176.2-73177.2-178.8-178.70112.3T392 A394 G399T392-K396 WeakPolarHBondContact O-CB 3.27Å; T392-K396 VanDerWaalsContact O-CG 3.31Å; T392-K396 WeakPolarHBondContact O-CG 3.34Å; T392-K396 PolarHBondContact O-N 2.79Å; A394-K396 PolarHBondContact O-N 2.89Å; K396-G399 PolarHBondContact O-N 3.18Å
397T90.1Very high87.4Confident18 Ų1849.2 Ų49.211%0.1128%0.284CS..Hα-helixtrans-64.8-44.8179.4-57.70000110.5L389 V393 A394 I420 C448L389-T397 HydrophobicContact CD2-CG2 4.34Å; V393-T397 WeakPolarHBondContact O-CB 3.2Å; V393-T397 PolarHBondContact O-N 2.85Å; V393-T397 PolarHBondContact O-OG1 3.38Å; A394-T397 PolarHBondContact O-N 3.05Å; A394-T397 VanDerWaalsContact O-N 3.16Å; T397-I420 HydrophobicContact CG2-CD1 4Å; T397-I420 WeakPolarHBondContact O-CD1 3.27Å; T397-C448 HydrophobicContact CG2-CB 3.85Å
398L90.6Very high87.6Confident16 Ų1651 Ų518%0.08429%0.294CS..Hα-helixtrans-80.8-19.3-179.1-62.7178.6000113.2L327 F371 L373 A394 E395 C400 M416 I420L327-L398 HydrophobicContact CD1-CD1 4.45Å; L327-L398 HydrophobicContact CD1-CD2 3.57Å; L327-L398 HydrophobicContact CD2-CD1 4.03Å; L327-L398 HydrophobicContact CD2-CD2 4.29Å; F371-L398 HydrophobicContact CD1-CD1 4.13Å; F371-L398 HydrophobicContact CE1-CD1 3.82Å; F371-L398 HydrophobicContact CE2-CD1 4.35Å; F371-L398 HydrophobicContact CZ-CD1 3.93Å; L373-L398 HydrophobicContact CD1-CD1 4.06Å; A394-L398 WeakPolarHBondContact O-CB 3.3Å; A394-L398 VanDerWaalsContact O-CG 3.29Å; A394-L398 WeakPolarHBondContact O-CG 3.45Å; A394-L398 PolarHBondContact O-N 2.81Å; E395-L398 PolarHBondContact O-N 2.9Å; L398-C400 VanDerWaalsContact C-N 3.28Å; L398-C400 HydrophobicContact CB-CB 4.49Å; L398-M416 HydrophobicContact CB-SD 4.06Å; L398-M416 HydrophobicContact CD2-SD 4.41Å; L398-I420 HydrophobicContact CD2-CD1 4.25Å
399G89.2Confident87.8Confident67 Ų6753.7 Ų53.769%0.69131%0.31SS*.THydrogen-bonded Turntrans65.931.3-173.600000112.8E395 K396E395-G399 WeakPolarHBondContact O-CA 3.35Å; E395-G399 PolarHBondContact O-N 2.8Å; K396-G399 PolarHBondContact O-N 3.18Å
400C90Very high88Confident10 Ų1060.1 Ų60.17%0.06834%0.34CS..  trans-151.2139-172.6-177.60000110.1F371 E395 L398 E404 M416F371-C400 WeakPolarHBondContact CE2-O 3.33Å; E395-C400 WeakPolarHBondContact CA-O 3.47Å; E395-C400 PolarHBondContact O-N 2.76Å; E395-C400 VanDerWaalsContact O-N 3.16Å; L398-C400 VanDerWaalsContact C-N 3.28Å; L398-C400 HydrophobicContact CB-CB 4.49Å; C400-E404 WeakPolarHBondContact CA-OE2 3.31Å; C400-E404 WeakPolarHBondContact SG-CB 3.42Å; C400-M416 HydrophobicContact CB-CE 3.58Å; C400-M416 HydrophobicContact CB-SD 4.26Å
401N88.5Confident88.4Confident51 Ų5164.2 Ų64.227%0.27336%0.361SS..  trans-87.4165.7174.571.849.8000111.8E403 E404 F405N401-E403 VanDerWaalsContact C-N 3.32Å; N401-E403 PolarHBondContact O-N 2.91Å; N401-E403 WeakPolarHBondContact OD1-CB 3.36Å; N401-E403 PolarHBondContact OD1-N 2.97Å; N401-E403 VanDerWaalsContact OD1-N 3.07Å; N401-E404 VanDerWaalsContact CG-CD 3.46Å; N401-E404 PolarHBondContact N-OE2 2.81Å; N401-E404 WeakPolarHBondContact ND2-CG 3.39Å; N401-E404 PolarHBondContact ND2-OE1 2.72Å; N401-E404 PolarHBondContact ND2-OE2 3.15Å; N401-E404 PolarHBondContact O-N 3.4Å; N401-E404 WeakPolarHBondContact OD1-CB 3.44Å; N401-E404 WeakPolarHBondContact OD1-CG 3.37Å; N401-E404 PolarHBondContact OD1-N 2.74Å; N401-F405 WeakPolarHBondContact O-CB 3.5Å; N401-F405 PolarHBondContact O-N 3.25Å
402P86.8Confident88.9Confident12 Ų1267.6 Ų67.68%0.07837%0.371CS..Hα-helixtrans-61.1-36.2-177.6-25.235.6000114I335 F371 F405 V406I335-P402 HydrophobicContact CD1-CB 4Å; I335-P402 WeakPolarHBondContact CD1-O 3.43Å; F371-P402 HydrophobicContact CD2-CG 4.09Å; F371-P402 HydrophobicContact CE2-CG 4.03Å; P402-F405 PolarHBondContact O-N 2.95Å; P402-V406 VanDerWaalsContact O-CG2 3.28Å; P402-V406 WeakPolarHBondContact O-CG2 3.43Å; P402-V406 PolarHBondContact O-N 2.95Å; P402-V406 VanDerWaalsContact O-N 3.14Å
403E87.6Confident89.5Confident157 Ų15764.2 Ų64.273%0.73435%0.347SS*.Hα-helixtrans-67.8-45.2-179.1-61.4-179.1176.900111.4N401 F405 V406 S407N401-E403 VanDerWaalsContact C-N 3.32Å; N401-E403 PolarHBondContact O-N 2.91Å; N401-E403 WeakPolarHBondContact OD1-CB 3.36Å; N401-E403 PolarHBondContact OD1-N 2.97Å; N401-E403 VanDerWaalsContact OD1-N 3.07Å; E403-F405 VanDerWaalsContact C-N 3.34Å; E403-F405 PolarHBondContact O-N 3.24Å; E403-V406 PolarHBondContact O-N 3.13Å; E403-S407 PolarHBondContact O-N 2.85Å
404E89.9Confident89.8Confident93 Ų9365.3 Ų65.344%0.43535%0.354SS..Hα-helixtrans-58.3-46.4172.2-73.1167-176.400110.7C400 N401 V406 S407 L408C400-E404 WeakPolarHBondContact CA-OE2 3.31Å; C400-E404 WeakPolarHBondContact SG-CB 3.42Å; N401-E404 VanDerWaalsContact CG-CD 3.46Å; N401-E404 PolarHBondContact N-OE2 2.81Å; N401-E404 WeakPolarHBondContact ND2-CG 3.39Å; N401-E404 PolarHBondContact ND2-OE1 2.72Å; N401-E404 PolarHBondContact ND2-OE2 3.15Å; N401-E404 PolarHBondContact O-N 3.4Å; N401-E404 WeakPolarHBondContact OD1-CB 3.44Å; N401-E404 WeakPolarHBondContact OD1-CG 3.37Å; N401-E404 PolarHBondContact OD1-N 2.74Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 2.87Å; E404-S407 WeakPolarHBondContact O-CB 3.26Å; E404-S407 PolarHBondContact O-N 3.16Å; E404-S407 PolarHBondContact O-OG 2.88Å; E404-L408 PolarHBondContact O-N 3.26Å
405F90.8Very high90Very high0 Ų067.9 Ų67.90%038%0.376CS..Hα-helixtrans-61.7-36.5-177.5-174.8-88.9000113.4L327 V334 I335 F371 N401 P402 E403 S407 L408 R413 M416L327-F405 HydrophobicContact CB-CE2 4.22Å; L327-F405 HydrophobicContact CB-CZ 4.17Å; L327-F405 HydrophobicContact CD2-CE2 4.24Å; L327-F405 HydrophobicContact CD2-CZ 4.37Å; V334-F405 HydrophobicContact CB-CE1 4Å; V334-F405 HydrophobicContact CB-CZ 4.31Å; V334-F405 HydrophobicContact CG1-CD1 4.27Å; V334-F405 HydrophobicContact CG1-CE1 3.55Å; V334-F405 HydrophobicContact CG1-CE2 4.43Å; V334-F405 HydrophobicContact CG1-CZ 3.65Å; V334-F405 HydrophobicContact CG2-CE1 4.4Å; V334-F405 HydrophobicContact CG2-CZ 4.37Å; I335-F405 HydrophobicContact CD1-CB 4.31Å; I335-F405 HydrophobicContact CD1-CD1 3.75Å; I335-F405 HydrophobicContact CD1-CG 4.42Å; I335-F405 HydrophobicContact CG1-CD1 4.29Å; F371-F405 HydrophobicContact CE1-CB 4.05Å; F371-F405 HydrophobicContact CE1-CD1 4.02Å; F371-F405 AromaticContact CE1-CD2 3.81Å; F371-F405 HydrophobicContact CE1-CD2 3.81Å; F371-F405 HydrophobicContact CE1-CE1 4.45Å; F371-F405 HydrophobicContact CE1-CE2 4.25Å; F371-F405 AromaticContact CE1-CG 3.68Å; F371-F405 HydrophobicContact CE1-CG 3.68Å; F371-F405 HydrophobicContact CZ-CB 3.67Å; F371-F405 AromaticContact CZ-CD2 3.94Å; F371-F405 HydrophobicContact CZ-CD2 3.94Å; F371-F405 AromaticContact CZ-CG 3.79Å; F371-F405 HydrophobicContact CZ-CG 3.79Å; N401-F405 WeakPolarHBondContact O-CB 3.5Å; N401-F405 PolarHBondContact O-N 3.25Å; P402-F405 PolarHBondContact O-N 2.95Å; E403-F405 VanDerWaalsContact C-N 3.34Å; E403-F405 PolarHBondContact O-N 3.24Å; F405-S407 PolarHBondContact O-N 3.38Å; F405-L408 HydrophobicContact CD2-CD1 4.29Å; F405-L408 PolarHBondContact O-N 2.95Å; F405-R413 HydrophobicContact CD2-CG 4.49Å; F405-R413 HydrophobicContact CE1-CG 4.48Å; F405-R413 HydrophobicContact CE2-CG 3.88Å; F405-R413 HydrophobicContact CZ-CG 3.87Å; F405-R413 PolarHBondContact O-NE 3.46Å; F405-R413 VanDerWaalsContact O-NE 3.15Å; F405-R413 PolarHBondContact O-NH2 3.19Å; F405-M416 HydrophobicContact CD2-SD 4.2Å; F405-M416 HydrophobicContact CE2-SD 4.3Å
406V89.6Confident90.2Very high82 Ų8266.3 Ų66.350%0.49737%0.369SS..Hα-helixtrans-62.1-35.7175.1174.70000110.8V331 I335 P402 E403 E404 L408 R413V331-V406 HydrophobicContact CG1-CG2 3.91Å; I335-V406 HydrophobicContact CD1-CG2 3.67Å; P402-V406 VanDerWaalsContact O-CG2 3.28Å; P402-V406 WeakPolarHBondContact O-CG2 3.43Å; P402-V406 PolarHBondContact O-N 2.95Å; P402-V406 VanDerWaalsContact O-N 3.14Å; E403-V406 PolarHBondContact O-N 3.13Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 2.87Å; V406-L408 VanDerWaalsContact C-N 3.33Å; V406-L408 PolarHBondContact O-N 3.08Å; V406-R413 PolarHBondContact O-NH2 3.5Å
407S90.3Very high90.4Very high94 Ų9459 Ų5966%0.65734%0.337SS*.Hα-helixtrans-76-16.2-179.975.90000114.6E403 E404 F405E403-S407 PolarHBondContact O-N 2.85Å; E404-S407 WeakPolarHBondContact O-CB 3.26Å; E404-S407 PolarHBondContact O-N 3.16Å; E404-S407 PolarHBondContact O-OG 2.88Å; F405-S407 PolarHBondContact O-N 3.38Å
408L90.7Very high90.5Very high38 Ų3865.2 Ų65.220%0.19936%0.358CS..SBendtrans-71.8143.3179.5-61.7178.9000112.6E404 F405 V406 E412 R413 M416E404-L408 PolarHBondContact O-N 3.26Å; F405-L408 HydrophobicContact CD2-CD1 4.29Å; F405-L408 PolarHBondContact O-N 2.95Å; V406-L408 VanDerWaalsContact C-N 3.33Å; V406-L408 PolarHBondContact O-N 3.08Å; L408-E412 HydrophobicContact CB-CB 4.13Å; L408-E412 HydrophobicContact CD2-CB 4.16Å; L408-R413 HydrophobicContact CB-CG 3.88Å; L408-R413 HydrophobicContact CD1-CG 4.37Å; L408-R413 PolarHBondContact O-NE 2.9Å; L408-R413 PolarHBondContact O-NH2 3Å; L408-M416 HydrophobicContact CD1-CE 3.55Å
409T91.1Very high90.6Very high76 Ų7671.6 Ų71.647%0.46639%0.385SS..  trans-70.4163.3168.561.40000111.8D411 E412 R413T409-D411 VanDerWaalsContact C-N 3.26Å; T409-D411 PolarHBondContact O-N 2.98Å; T409-E412 WeakPolarHBondContact CB-OE2 3.23Å; T409-E412 PolarHBondContact N-OE2 3.27Å; T409-E412 PolarHBondContact O-N 2.95Å; T409-E412 WeakPolarHBondContact OG1-CB 3.45Å; T409-E412 VanDerWaalsContact OG1-CD 3.27Å; T409-E412 VanDerWaalsContact OG1-CG 3.23Å; T409-E412 WeakPolarHBondContact OG1-CG 3.35Å; T409-E412 PolarHBondContact OG1-N 2.84Å; T409-E412 PolarHBondContact OG1-OE2 3.01Å; T409-R413 WeakPolarHBondContact O-CG 3.22Å; T409-R413 PolarHBondContact O-N 2.92Å
410E89.3Confident90.7Very high136 Ų13669.2 Ų69.264%0.63636%0.357SS*.Hα-helixtrans-59.6-37.3176-67.6-174166.300112.2R413 T414E410-R413 PolarHBondContact O-N 3.31Å; E410-T414 WeakPolarHBondContact O-CB 3.27Å; E410-T414 PolarHBondContact O-N 2.98Å; E410-T414 PolarHBondContact O-OG1 3.49Å
411D91Very high90.9Very high135 Ų13569.5 Ų69.572%0.72236%0.357SS*.Hα-helixtrans-66.3-41.3177.1-71.2-26.3000111.9T409 T414 A415T409-D411 VanDerWaalsContact C-N 3.26Å; T409-D411 PolarHBondContact O-N 2.98Å; D411-T414 WeakPolarHBondContact O-CB 3.35Å; D411-T414 PolarHBondContact O-N 2.8Å; D411-A415 WeakPolarHBondContact O-CB 3.09Å; D411-A415 PolarHBondContact O-N 2.85Å
412E92.4Very high91.1Very high96 Ų9671.9 Ų71.945%0.44937%0.37SS..Hα-helixtrans-67.3-39.6176.6-72.7165.9140.300112.1L408 T409 T414 A415 M416L408-E412 HydrophobicContact CB-CB 4.13Å; L408-E412 HydrophobicContact CD2-CB 4.16Å; T409-E412 WeakPolarHBondContact CB-OE2 3.23Å; T409-E412 PolarHBondContact N-OE2 3.27Å; T409-E412 PolarHBondContact O-N 2.95Å; T409-E412 WeakPolarHBondContact OG1-CB 3.45Å; T409-E412 VanDerWaalsContact OG1-CD 3.27Å; T409-E412 VanDerWaalsContact OG1-CG 3.23Å; T409-E412 WeakPolarHBondContact OG1-CG 3.35Å; T409-E412 PolarHBondContact OG1-N 2.84Å; T409-E412 PolarHBondContact OG1-OE2 3.01Å; E412-T414 VanDerWaalsContact C-N 3.33Å; E412-A415 PolarHBondContact O-N 3.05Å; E412-M416 WeakPolarHBondContact O-CB 3.47Å; E412-M416 PolarHBondContact O-N 2.84Å
413R93.3Very high91.3Very high19 Ų1976 Ų767%0.07239%0.388CS..Hα-helixtrans-64.5-39.3173.2-69.7178.6-173.9142.211.2111.7F405 V406 L408 T409 E410 M416 K417F405-R413 HydrophobicContact CD2-CG 4.49Å; F405-R413 HydrophobicContact CE1-CG 4.48Å; F405-R413 HydrophobicContact CE2-CG 3.88Å; F405-R413 HydrophobicContact CZ-CG 3.87Å; F405-R413 PolarHBondContact O-NE 3.46Å; F405-R413 VanDerWaalsContact O-NE 3.15Å; F405-R413 PolarHBondContact O-NH2 3.19Å; V406-R413 PolarHBondContact O-NH2 3.5Å; L408-R413 HydrophobicContact CB-CG 3.88Å; L408-R413 HydrophobicContact CD1-CG 4.37Å; L408-R413 PolarHBondContact O-NE 2.9Å; L408-R413 PolarHBondContact O-NH2 3Å; T409-R413 WeakPolarHBondContact O-CG 3.22Å; T409-R413 PolarHBondContact O-N 2.92Å; E410-R413 PolarHBondContact O-N 3.31Å; R413-M416 WeakPolarHBondContact O-CB 3.35Å; R413-M416 PolarHBondContact O-N 2.94Å; R413-K417 PolarHBondContact O-N 2.8Å
414T91.6Very high91.6Very high41 Ų4173.2 Ų73.225%0.25237%0.371SS..Hα-helixtrans-63.5-46.2174.7-59.60000110.5D328 E410 D411 E412 M416 K417 W418D328-T414 WeakPolarHBondContact CB-OG1 3.36Å; E410-T414 WeakPolarHBondContact O-CB 3.27Å; E410-T414 PolarHBondContact O-N 2.98Å; E410-T414 PolarHBondContact O-OG1 3.49Å; D411-T414 WeakPolarHBondContact O-CB 3.35Å; D411-T414 PolarHBondContact O-N 2.8Å; E412-T414 VanDerWaalsContact C-N 3.33Å; T414-M416 VanDerWaalsContact C-N 3.3Å; T414-M416 PolarHBondContact O-N 2.71Å; T414-K417 WeakPolarHBondContact O-CB 3.22Å; T414-K417 PolarHBondContact O-N 2.74Å; T414-W418 PolarHBondContact O-N 2.89Å; T414-W418 VanDerWaalsContact O-N 3.11Å
415A92Very high91.8Very high55 Ų5568.8 Ų68.846%0.45535%0.35SS..Hα-helixtrans-59.8-39.7175.300000112.1D411 E412 W418 K419D411-A415 WeakPolarHBondContact O-CB 3.09Å; D411-A415 PolarHBondContact O-N 2.85Å; E412-A415 PolarHBondContact O-N 3.05Å; A415-W418 PolarHBondContact O-N 3.18Å; A415-K419 PolarHBondContact O-N 3.07Å
416M91.6Very high92Very high22 Ų2270.2 Ų70.211%0.10836%0.356CS..Hα-helixtrans-63.5-45.4175-177.2-178.3-72.200112.3L327 L398 C400 F405 L408 E412 R413 T414 W418 K419L327-M416 HydrophobicContact CD1-CB 4.45Å; L327-M416 HydrophobicContact CD1-CG 4.06Å; L327-M416 HydrophobicContact CD1-SD 4.23Å; L398-M416 HydrophobicContact CB-SD 4.06Å; L398-M416 HydrophobicContact CD2-SD 4.41Å; C400-M416 HydrophobicContact CB-CE 3.58Å; C400-M416 HydrophobicContact CB-SD 4.26Å; F405-M416 HydrophobicContact CD2-SD 4.2Å; F405-M416 HydrophobicContact CE2-SD 4.3Å; L408-M416 HydrophobicContact CD1-CE 3.55Å; E412-M416 WeakPolarHBondContact O-CB 3.47Å; E412-M416 PolarHBondContact O-N 2.84Å; R413-M416 WeakPolarHBondContact O-CB 3.35Å; R413-M416 PolarHBondContact O-N 2.94Å; T414-M416 VanDerWaalsContact C-N 3.3Å; T414-M416 PolarHBondContact O-N 2.71Å; M416-W418 VanDerWaalsContact C-N 3.29Å; M416-W418 PolarHBondContact O-N 2.71Å; M416-K419 WeakPolarHBondContact O-CB 3.47Å; M416-K419 PolarHBondContact O-N 2.94Å; M416-K419 VanDerWaalsContact O-N 3.13Å
417K92.4Very high92.2Very high22 Ų2266.4 Ų66.410%0.09633%0.333CS..Hα-helixtrans-53.7-47.2175.2169.6179.8173.7171.90111.1L325 L327 D328 R413 T414 K419 I420 L421L325-K417 VanDerWaalsContact O-CD 3.23Å; L325-K417 WeakPolarHBondContact O-CD 3.47Å; L325-K417 WeakPolarHBondContact O-CE 3.32Å; L325-K417 PolarHBondContact O-NZ 2.93Å; L327-K417 HydrophobicContact CB-CB 4.26Å; L327-K417 HydrophobicContact CD1-CB 4.07Å; L327-K417 HydrophobicContact CG-CB 4.36Å; D328-K417 WeakPolarHBondContact OD1-CD 3.4Å; D328-K417 IonicContact OD1-NZ 2.87Å; D328-K417 PolarHBondContact OD1-NZ 3.02Å; D328-K417 IonicContact OD2-NZ 3.07Å; D328-K417 PolarHBondContact OD2-NZ 3.13Å; R413-K417 PolarHBondContact O-N 2.8Å; T414-K417 WeakPolarHBondContact O-CB 3.22Å; T414-K417 PolarHBondContact O-N 2.74Å; K417-K419 PolarHBondContact O-N 2.88Å; K417-I420 PolarHBondContact O-N 3.05Å; K417-L421 HydrophobicContact CD-CD2 4.45Å; K417-L421 HydrophobicContact CG-CB 4.2Å; K417-L421 HydrophobicContact CG-CD2 4.07Å; K417-L421 WeakPolarHBondContact O-CB 3.23Å; K417-L421 PolarHBondContact O-N 3.48Å
418W92.5Very high92.4Very high147 Ų14763.3 Ų63.356%0.55731%0.307SS*.Hα-helixtrans-70.3-12.8-178.3-69.9116.9000115T414 A415 M416 I420 L421T414-W418 PolarHBondContact O-N 2.89Å; T414-W418 VanDerWaalsContact O-N 3.11Å; A415-W418 PolarHBondContact O-N 3.18Å; M416-W418 VanDerWaalsContact C-N 3.29Å; M416-W418 PolarHBondContact O-N 2.71Å; W418-I420 PolarHBondContact O-N 2.98Å; W418-L421 HydrophobicContact CE3-CB 4.5Å; W418-L421 HydrophobicContact CE3-CD2 4Å; W418-L421 HydrophobicContact CH2-CD2 4.01Å; W418-L421 HydrophobicContact CZ3-CD2 3.71Å
419K91.2Very high92.4Very high150 Ų15061.5 Ų61.565%0.65230%0.298SS*.THydrogen-bonded Turntrans-70.4-18.4173-70.3177.6-178.6177.80113.5A415 M416 K417A415-K419 PolarHBondContact O-N 3.07Å; M416-K419 WeakPolarHBondContact O-CB 3.47Å; M416-K419 PolarHBondContact O-N 2.94Å; M416-K419 VanDerWaalsContact O-N 3.13Å; K417-K419 PolarHBondContact O-N 2.88Å
420I91.7Very high92.3Very high17 Ų1758.5 Ų58.59%0.08728%0.278CS..THydrogen-bonded Turntrans-131.8-33.7-170.8-54.6174.2000111.5I322 T397 L398 K417 W418 L422 E423I322-I420 HydrophobicContact CD1-CG2 3.82Å; I322-I420 HydrophobicContact CG1-CG2 4.32Å; T397-I420 HydrophobicContact CG2-CD1 4Å; T397-I420 WeakPolarHBondContact O-CD1 3.27Å; L398-I420 HydrophobicContact CD2-CD1 4.25Å; K417-I420 PolarHBondContact O-N 3.05Å; W418-I420 PolarHBondContact O-N 2.98Å; I420-L422 PolarHBondContact O-N 3.09Å; I420-E423 WeakPolarHBondContact O-CB 3.48Å; I420-E423 PolarHBondContact O-N 2.67Å; I420-E423 VanDerWaalsContact O-N 3.09Å
421L93.9Very high92.2Very high16 Ų1652 Ų528%0.08425%0.248CC..BIsolated β-bridgetrans-61.5128.7178.4-173.776.8000110.2I322 L325 K417 W418 E423I322-L421 WeakPolarHBondContact O-CD1 3.09Å; L325-L421 HydrophobicContact CB-CD1 3.86Å; K417-L421 HydrophobicContact CD-CD2 4.45Å; K417-L421 HydrophobicContact CG-CB 4.2Å; K417-L421 HydrophobicContact CG-CD2 4.07Å; K417-L421 WeakPolarHBondContact O-CB 3.23Å; K417-L421 PolarHBondContact O-N 3.48Å; W418-L421 HydrophobicContact CE3-CB 4.5Å; W418-L421 HydrophobicContact CE3-CD2 4Å; W418-L421 HydrophobicContact CH2-CD2 4.01Å; W418-L421 HydrophobicContact CZ3-CD2 3.71Å; L421-E423 PolarHBondContact O-N 3.13Å; L421-E423 VanDerWaalsContact O-N 3.13Å
422L92.6Very high91.7Very high102 Ų10247 Ų4753%0.53423%0.225SC..THydrogen-bonded Turntrans60.58.9-175.1-57.3176.1000115.4F321 I322 I420F321-L422 WeakPolarHBondContact CD1-O 3.49Å; F321-L422 WeakPolarHBondContact CE1-O 3.37Å; I322-L422 PolarHBondContact O-N 2.7Å; I420-L422 PolarHBondContact O-N 3.09Å
423E92.6Very high90.8Very high98 Ų9844.8 Ų44.846%0.45822%0.219SC..SBendtrans-85.7145.8167-68.5-58.9147.500110.5I420 L421 C425 L450I420-E423 WeakPolarHBondContact O-CB 3.48Å; I420-E423 PolarHBondContact O-N 2.67Å; I420-E423 VanDerWaalsContact O-N 3.09Å; L421-E423 PolarHBondContact O-N 3.13Å; L421-E423 VanDerWaalsContact O-N 3.13Å; E423-C425 PolarHBondContact O-N 3.38Å; E423-C425 PolarHBondContact O-SG 2.84Å; E423-C425 VanDerWaalsContact O-SG 3.38Å; E423-L450 HydrophobicContact CB-CD2 3.63Å; E423-L450 HydrophobicContact CG-CD2 4.32Å
424R93.1Very high89.7Confident99 Ų9944.6 Ų44.637%0.37422%0.221SC..EExtended strand (participates in β ladder)trans-76.1118.9-179-174.6162.8-81.5116.5-11.7109.4F321 A451 V456F321-R424 HydrophobicContact CD1-CB 4.19Å; F321-R424 HydrophobicContact CE1-CB 3.88Å; R424-A451 HydrophobicContact CG-CB 4.13Å; R424-A451 WeakPolarHBondContact O-CB 3.4Å; R424-A451 PolarHBondContact O-N 3.44Å; R424-V456 HydrophobicContact CG-CG2 4.36Å
425C94.5Very high88.3Confident0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-114.3148-175.6-62.50000111.4Y319 S320 E423 V427 S449Y319-C425 WeakPolarHBondContact CA-O 3.41Å; S320-C425 PolarHBondContact N-O 3.48Å; S320-C425 WeakPolarHBondContact O-CA 3.29Å; S320-C425 PolarHBondContact O-N 3.42Å; S320-C425 VanDerWaalsContact O-O 3.13Å; E423-C425 PolarHBondContact O-N 3.38Å; E423-C425 PolarHBondContact O-SG 2.84Å; E423-C425 VanDerWaalsContact O-SG 3.38Å; C425-V427 HydrophobicContact CB-CG2 3.84Å; C425-S449 CarbonylContact C-O 3.52Å; C425-S449 WeakPolarHBondContact CA-O 3.35Å; C425-S449 WeakPolarHBondContact CB-O 3.36Å
426K94.9Very high86.4Confident30 Ų3056.2 Ų56.213%0.1327%0.271CS..EExtended strand (participates in β ladder)trans-87.3109.7162.6-174.9178.8-169.5167.60106.9I317 Y319 Y428 S449 A451 E455I317-K426 HydrophobicContact CG2-CG 3.92Å; Y319-K426 HydrophobicContact CD1-CB 4.26Å; Y319-K426 HydrophobicContact CD1-CG 4.43Å; Y319-K426 HydrophobicContact CE1-CB 3.96Å; Y319-K426 HydrophobicContact CE1-CD 4.12Å; Y319-K426 HydrophobicContact CE1-CG 3.84Å; Y319-K426 WeakPolarHBondContact OH-CE 3.49Å; K426-Y428 HydrophobicContact CD-CE2 4.12Å; K426-Y428 VanDerWaalsContact CE-OH 3.31Å; K426-Y428 WeakPolarHBondContact CE-OH 3.46Å; K426-Y428 HydrophobicContact CG-CE2 4.16Å; K426-S449 PolarHBondContact N-O 2.49Å; K426-S449 PolarHBondContact O-N 3.1Å; K426-A451 HydrophobicContact CB-CB 4.4Å; K426-E455 WeakPolarHBondContact CD-OE2 3.34Å; K426-E455 WeakPolarHBondContact CE-OE2 3.2Å; K426-E455 IonicContact NZ-OE1 2.81Å; K426-E455 PolarHBondContact NZ-OE1 3.48Å; K426-E455 IonicContact NZ-OE2 3.37Å; K426-E455 PolarHBondContact NZ-OE2 3.07Å
427V94.6Very high85Confident1 Ų157.2 Ų57.21%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-112.4114.9-175-172.40000108.7I317 T318 S320 C425 I429 V445I317-V427 CarbonylContact C-O 3.59Å; I317-V427 WeakPolarHBondContact CA-O 3.39Å; T318-V427 HydrophobicContact CG2-CB 3.96Å; T318-V427 PolarHBondContact N-O 2.93Å; T318-V427 PolarHBondContact O-N 2.89Å; S320-V427 WeakPolarHBondContact OG-CG2 3.46Å; C425-V427 HydrophobicContact CB-CG2 3.84Å; V427-I429 HydrophobicContact CG1-CB 4.42Å; V427-V445 HydrophobicContact CG1-CG1 3.98Å; V427-V445 HydrophobicContact CG1-CG2 4.19Å
428Y93.6Very high83.5Confident29 Ų2968.6 Ų68.611%0.11432%0.323CS..EExtended strand (participates in β ladder)trans-82.8119.8166.7-66-97.7000107.6V291 I294 I317 K426 L446 Q447V291-Y428 HydrophobicContact CG1-CD1 3.41Å; V291-Y428 VanDerWaalsContact CG1-CD1 3.41Å; V291-Y428 HydrophobicContact CG1-CD2 3.86Å; V291-Y428 HydrophobicContact CG1-CE1 3.65Å; V291-Y428 HydrophobicContact CG1-CE2 4.07Å; V291-Y428 HydrophobicContact CG1-CG 3.51Å; I294-Y428 HydrophobicContact CB-CD1 4.01Å; I294-Y428 HydrophobicContact CB-CE1 4.29Å; I294-Y428 HydrophobicContact CD1-CD1 4.14Å; I294-Y428 HydrophobicContact CG2-CD1 4.22Å; I317-Y428 HydrophobicContact CD1-CD1 4.27Å; I317-Y428 HydrophobicContact CD1-CE1 3.66Å; I317-Y428 HydrophobicContact CG1-CD1 3.61Å; I317-Y428 HydrophobicContact CG1-CE1 3.52Å; I317-Y428 HydrophobicContact CG1-CG 4.36Å; K426-Y428 HydrophobicContact CD-CE2 4.12Å; K426-Y428 VanDerWaalsContact CE-OH 3.31Å; K426-Y428 WeakPolarHBondContact CE-OH 3.46Å; K426-Y428 HydrophobicContact CG-CE2 4.16Å; Y428-L446 PolarHBondContact O-N 3.02Å; Y428-Q447 HydrophobicContact CD2-CB 3.78Å; Y428-Q447 HydrophobicContact CD2-CG 4.15Å; Y428-Q447 HydrophobicContact CG-CB 4.27Å; Y428-Q447 PolarHBondContact N-O 3.12Å; Y428-Q447 PolarHBondContact O-N 2.92Å
429I91.5Very high82.2Confident0 Ų063.6 Ų63.60%031%0.31CS..EExtended strand (participates in β ladder)trans-130.3140.7-172-164.5163.9000111.2L303 C315 G316 T318 L384 V427 I431L303-I429 HydrophobicContact CD1-CG2 3.86Å; L303-I429 HydrophobicContact CD2-CG2 4.45Å; C315-I429 CarbonylContact C-O 3.35Å; C315-I429 WeakPolarHBondContact CA-O 3.42Å; G316-I429 PolarHBondContact N-O 2.94Å; G316-I429 PolarHBondContact O-N 2.86Å; T318-I429 HydrophobicContact CG2-CG2 4.28Å; L384-I429 HydrophobicContact CD2-CD1 3.33Å; V427-I429 HydrophobicContact CG1-CB 4.42Å; I429-I431 HydrophobicContact CD1-CD1 3.9Å; I429-I431 HydrophobicContact CG1-CD1 3.87Å; I429-I431 HydrophobicContact CG2-CD1 4.45Å
430K87.6Confident81.2Confident13 Ų1358.3 Ų58.36%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-109.9129172.2178.3177.3176.6-178.50109.5P286 G287 V313 F314 G443 N444 L446P286-K430 VanDerWaalsContact C-NZ 3.33Å; P286-K430 WeakPolarHBondContact O-CE 3.16Å; P286-K430 PolarHBondContact O-NZ 3.45Å; G287-K430 VanDerWaalsContact O-CE 3.26Å; G287-K430 WeakPolarHBondContact O-CE 3.38Å; G287-K430 PolarHBondContact O-NZ 3.27Å; V313-K430 HydrophobicContact CG1-CD 4.19Å; V313-K430 HydrophobicContact CG1-CG 3.76Å; F314-K430 WeakPolarHBondContact O-CA 3.5Å; K430-G443 CarbonylContact O-C 3.6Å; K430-G443 WeakPolarHBondContact O-CA 3.23Å; K430-N444 HydrophobicContact CB-CB 4.45Å; K430-N444 PolarHBondContact N-O 2.94Å; K430-N444 PolarHBondContact O-N 2.91Å; K430-L446 HydrophobicContact CB-CD1 4.03Å; K430-L446 HydrophobicContact CB-CD2 4.07Å; K430-L446 HydrophobicContact CB-CG 4.04Å; K430-L446 HydrophobicContact CD-CD2 4.31Å
431I87.1Confident80.6Confident0 Ų058 Ų580%030%0.296CS..EExtended strand (participates in β ladder)trans-112.5126.4-179.4-53.3-61.5000108.8L303 A307 V313 F314 L384 I429 M441L303-I431 HydrophobicContact CD2-CG1 4.33Å; A307-I431 HydrophobicContact CB-CG2 3.75Å; V313-I431 WeakPolarHBondContact CA-O 3.35Å; V313-I431 WeakPolarHBondContact CG1-O 3.45Å; F314-I431 HydrophobicContact CD1-CB 4.3Å; F314-I431 HydrophobicContact CE1-CB 3.74Å; F314-I431 HydrophobicContact CE1-CG1 4.46Å; F314-I431 HydrophobicContact CE1-CG2 3.85Å; F314-I431 HydrophobicContact CE2-CB 4.03Å; F314-I431 HydrophobicContact CE2-CG1 3.93Å; F314-I431 HydrophobicContact CZ-CB 3.59Å; F314-I431 HydrophobicContact CZ-CG1 3.81Å; F314-I431 HydrophobicContact CZ-CG2 3.86Å; F314-I431 PolarHBondContact N-O 2.68Å; F314-I431 VanDerWaalsContact N-O 3.11Å; F314-I431 PolarHBondContact O-N 3.47Å; L384-I431 HydrophobicContact CD2-CD1 3.52Å; I429-I431 HydrophobicContact CD1-CD1 3.9Å; I429-I431 HydrophobicContact CG1-CD1 3.87Å; I429-I431 HydrophobicContact CG2-CD1 4.45Å; I431-M441 HydrophobicContact CG2-CB 4.22Å; I431-M441 HydrophobicContact CG2-SD 4.22Å
432A80.3Confident80Confident30 Ų3064.7 Ų64.725%0.24832%0.32CS..EExtended strand (participates in β ladder)trans-122.5134.7174.500000110.3V313 S434 M441 R442V313-A432 HydrophobicContact CG1-CB 4.48Å; V313-A432 HydrophobicContact CG2-CB 3.86Å; A432-S434 PolarHBondContact O-N 2.82Å; A432-M441 CarbonylContact O-C 3.56Å; A432-M441 WeakPolarHBondContact O-CA 3.33Å; A432-R442 PolarHBondContact N-O 3.35Å; A432-R442 PolarHBondContact O-N 2.7Å
433P73.8Confident79.7Confident49 Ų4959.9 Ų59.932%0.31830%0.296SS..EExtended strand (participates in β ladder)trans-60.1137.1172.8-26.837.8000111.6P311P311-P433 WeakPolarHBondContact O-CG 3.32Å
434S71.4Confident79.4Confident15 Ų1557.1 Ų57.111%0.10528%0.284CS..  trans-145.189.3-177.5174.50000109.6A432 K436 S437 G440A432-S434 PolarHBondContact O-N 2.82Å; S434-K436 PolarHBondContact O-N 2.9Å; S434-S437 WeakPolarHBondContact O-CB 3.21Å; S434-S437 PolarHBondContact O-N 3.42Å; S434-G440 CarbonylContact C-O 3.51Å; S434-G440 PolarHBondContact N-O 2.85Å; S434-G440 CarbonylContact O-C 3.56Å; S434-G440 WeakPolarHBondContact O-CA 3.13Å
435P61.7Low79.3Confident130 Ų13052.5 Ų52.584%0.84427%0.267SS*.THydrogen-bonded Turntrans-58.8-22.8-177.2-22.931.7000114
436K52.8Low78.9Confident210 Ų21053 Ų5391%0.91327%0.27SS*.THydrogen-bonded Turntrans-83.8-8.9177.9-60.8-175.5179.6-1790113.7S434S434-K436 PolarHBondContact O-N 2.9Å
437S61.8Low78.8Confident44 Ų4455.6 Ų55.631%0.30828%0.282SS..SBendtrans-86.5147178.2178.30000110.3S434 S439 G440 M441S434-S437 WeakPolarHBondContact O-CB 3.21Å; S434-S437 PolarHBondContact O-N 3.42Å; S437-S439 PolarHBondContact O-N 2.79Å; S437-S439 PolarHBondContact OG-N 2.98Å; S437-S439 PolarHBondContact OG-OG 2.84Å; S437-G440 PolarHBondContact O-N 3.42Å; S437-M441 WeakPolarHBondContact CB-O 3.3Å; S437-M441 PolarHBondContact OG-O 3.45Å; S437-M441 VanDerWaalsContact OG-O 3.1Å
438R61.2Low78.7Confident261 Ų26156 Ų5699%0.98529%0.285SS*.THydrogen-bonded Turntrans-58-30.8173.8-73.4-174.8177.4-177.8-0.6112.8
439S64.8Low78.6Confident42 Ų4257.1 Ų57.129%0.29430%0.297SS..THydrogen-bonded Turntrans-87.9-3.8177.758.90000113.5S437 M441S437-S439 PolarHBondContact O-N 2.79Å; S437-S439 PolarHBondContact OG-N 2.98Å; S437-S439 PolarHBondContact OG-OG 2.84Å; S439-M441 PolarHBondContact O-N 3.47Å; S439-M441 PolarHBondContact OG-O 2.96Å
440G70.6Confident78.7Confident39 Ų3962.2 Ų62.240%0.40232%0.324SS..SBendtrans70.2-0.5-172.700000114.7S434 S437S434-G440 CarbonylContact C-O 3.51Å; S434-G440 PolarHBondContact N-O 2.85Å; S434-G440 CarbonylContact O-C 3.56Å; S434-G440 WeakPolarHBondContact O-CA 3.13Å; S437-G440 PolarHBondContact O-N 3.42Å
441M78.9Confident78.9Confident9 Ų962.4 Ų62.44%0.04433%0.328CS..EExtended strand (participates in β ladder)trans-143.5167.3-177.568.9-167.9130.100111.5K304 A307 L384 I431 A432 S437 S439K304-M441 HydrophobicContact CB-CE 3.96Å; K304-M441 HydrophobicContact CD-CE 4.13Å; K304-M441 HydrophobicContact CG-CE 3.51Å; K304-M441 HydrophobicContact CG-SD 4.35Å; A307-M441 HydrophobicContact CB-CB 4.37Å; A307-M441 HydrophobicContact CB-SD 3.86Å; L384-M441 HydrophobicContact CD1-CE 3.97Å; L384-M441 HydrophobicContact CD1-CG 4.26Å; L384-M441 HydrophobicContact CD1-SD 3.8Å; I431-M441 HydrophobicContact CG2-CB 4.22Å; I431-M441 HydrophobicContact CG2-SD 4.22Å; A432-M441 CarbonylContact O-C 3.56Å; A432-M441 WeakPolarHBondContact O-CA 3.33Å; S437-M441 WeakPolarHBondContact CB-O 3.3Å; S437-M441 PolarHBondContact OG-O 3.45Å; S437-M441 VanDerWaalsContact OG-O 3.1Å; S439-M441 PolarHBondContact O-N 3.47Å; S439-M441 PolarHBondContact OG-O 2.96Å
442R80.9Confident79.1Confident157 Ų15766.6 Ų66.659%0.59235%0.35SS*.EExtended strand (participates in β ladder)trans-131125.2174.5-173.5-179.8-63.8-177.3-0.2109.1A432A432-R442 PolarHBondContact N-O 3.35Å; A432-R442 PolarHBondContact O-N 2.7Å
443G85.6Confident79.4Confident2 Ų270.2 Ų70.22%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-94.1139.9171.800000111.2C387 S388 K430C387-G443 CarbonylContact C-O 3.55Å; C387-G443 VanDerWaalsContact CA-O 3.3Å; C387-G443 WeakPolarHBondContact CA-O 3.31Å; S388-G443 PolarHBondContact N-O 3.08Å; S388-G443 PolarHBondContact OG-O 2.92Å; K430-G443 CarbonylContact O-C 3.6Å; K430-G443 WeakPolarHBondContact O-CA 3.23Å
444N87.4Confident79.9Confident39 Ų3969.6 Ų69.621%0.20937%0.373CS..EExtended strand (participates in β ladder)trans-127.4122.9170.6-169.110.3000109.3S388 K430 L446S388-N444 PolarHBondContact O-OD1 2.62Å; S388-N444 WeakPolarHBondContact OG-CA 3.5Å; S388-N444 WeakPolarHBondContact OG-CB 3.41Å; S388-N444 PolarHBondContact OG-OD1 2.69Å; K430-N444 HydrophobicContact CB-CB 4.45Å; K430-N444 PolarHBondContact N-O 2.94Å; K430-N444 PolarHBondContact O-N 2.91Å; N444-L446 PolarHBondContact O-N 2.86Å
445V89.9Confident80.6Confident3 Ų372 Ų722%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-76.9120177.6-179.40000108.3V375 C387 S388 L389 V393 V427 C448V375-V445 HydrophobicContact CG2-CG2 4.19Å; C387-V445 HydrophobicContact CB-CG2 4.2Å; S388-V445 PolarHBondContact O-N 3.44Å; L389-V445 HydrophobicContact CD1-CB 4.03Å; L389-V445 HydrophobicContact CD1-CG1 3.91Å; V393-V445 HydrophobicContact CG1-CG1 4.25Å; V427-V445 HydrophobicContact CG1-CG1 3.98Å; V427-V445 HydrophobicContact CG1-CG2 4.19Å; V445-C448 HydrophobicContact CG1-CB 3.95Å
446L87.3Confident81.7Confident11 Ų1166.9 Ų66.96%0.05835%0.35CS..EExtended strand (participates in β ladder)trans-89.7-35.3178.6-58.9-177.6000111.5V291 I294 V393 Y428 K430 N444V291-L446 HydrophobicContact CG2-CB 4.18Å; I294-L446 HydrophobicContact CD1-CD1 3.71Å; V393-L446 VanDerWaalsContact CG1-O 3.31Å; V393-L446 WeakPolarHBondContact CG1-O 3.42Å; V393-L446 WeakPolarHBondContact CG2-O 3.38Å; Y428-L446 PolarHBondContact O-N 3.02Å; K430-L446 HydrophobicContact CB-CD1 4.03Å; K430-L446 HydrophobicContact CB-CD2 4.07Å; K430-L446 HydrophobicContact CB-CG 4.04Å; K430-L446 HydrophobicContact CD-CD2 4.31Å; N444-L446 PolarHBondContact O-N 2.86Å
447Q91.4Very high83.2Confident83 Ų8364.4 Ų64.439%0.38834%0.339SS..EExtended strand (participates in β ladder)trans-159.3143.2175.1-179.8168.5-22.600109.5V291 Y428V291-Q447 HydrophobicContact CG1-CB 4.12Å; Y428-Q447 HydrophobicContact CD2-CB 3.78Å; Y428-Q447 HydrophobicContact CD2-CG 4.15Å; Y428-Q447 HydrophobicContact CG-CB 4.27Å; Y428-Q447 PolarHBondContact N-O 3.12Å; Y428-Q447 PolarHBondContact O-N 2.92Å
448C92.5Very high84.2Confident10 Ų1069.3 Ų69.37%0.06836%0.357CS..EExtended strand (participates in β ladder)trans-139.7130.9176-178.20000109.9T397 V445T397-C448 HydrophobicContact CG2-CB 3.85Å; V445-C448 HydrophobicContact CG1-CB 3.95Å
449S92.7Very high85.1Confident53 Ų5359.2 Ų59.237%0.37132%0.322SS..EExtended strand (participates in β ladder)trans-144.6161.8172.965.90000110C425 K426 A451C425-S449 CarbonylContact C-O 3.52Å; C425-S449 WeakPolarHBondContact CA-O 3.35Å; C425-S449 WeakPolarHBondContact CB-O 3.36Å; K426-S449 PolarHBondContact N-O 2.49Å; K426-S449 PolarHBondContact O-N 3.1Å; S449-A451 PolarHBondContact O-N 3.09Å
450L93.2Very high85.5Confident106 Ų10659 Ų5956%0.55532%0.317SS*.EExtended strand (participates in β ladder)trans-56.9136.5168.8-66.3175.2000109.5E423E423-L450 HydrophobicContact CB-CD2 3.63Å; E423-L450 HydrophobicContact CG-CD2 4.32Å
451A91.5Very high85.4Confident18 Ų1860.9 Ų60.915%0.14932%0.324CS..PPolyproline II helixtrans-80137.5-177.800000110.6Y319 R424 K426 S449 V456Y319-A451 HydrophobicContact CD1-CB 3.91Å; Y319-A451 HydrophobicContact CE1-CB 4.28Å; R424-A451 HydrophobicContact CG-CB 4.13Å; R424-A451 WeakPolarHBondContact O-CB 3.4Å; R424-A451 PolarHBondContact O-N 3.44Å; K426-A451 HydrophobicContact CB-CB 4.4Å; S449-A451 PolarHBondContact O-N 3.09Å; A451-V456 HydrophobicContact CB-CG2 3.51Å
452D90.6Very high84.6Confident88 Ų8864.2 Ų64.247%0.47135%0.353SS..PPolyproline II helixtrans-68.6127.6169.2177.6-95.4000110.2G454 E455 V456D452-G454 PolarHBondContact O-N 2.95Å; D452-G454 WeakPolarHBondContact OD1-CA 3.32Å; D452-G454 PolarHBondContact OD1-N 3.24Å; D452-E455 HydrophobicContact CB-CB 4.2Å; D452-E455 HydrophobicContact CB-CG 4.06Å; D452-E455 PolarHBondContact O-N 2.68Å; D452-E455 PolarHBondContact OD1-N 2.85Å; D452-V456 WeakPolarHBondContact O-CG2 3.42Å; D452-V456 PolarHBondContact O-N 3.21Å
453P87.3Confident83.7Confident106 Ų10658.5 Ų58.569%0.68833%0.334SS*.Hα-helixtrans-58.9-30.4-179.1-26.134.8000114.3K457P453-K457 PolarHBondContact O-N 2.9Å; P453-K457 VanDerWaalsContact O-N 3.13Å
454G85.3Confident82.1Confident35 Ų3569.1 Ų69.136%0.36138%0.383SS..Hα-helixtrans-68.8-47.7176.400000111.9D452 V456 K457 Q458D452-G454 PolarHBondContact O-N 2.95Å; D452-G454 WeakPolarHBondContact OD1-CA 3.32Å; D452-G454 PolarHBondContact OD1-N 3.24Å; G454-V456 VanDerWaalsContact C-N 3.35Å; G454-V456 PolarHBondContact O-N 3.18Å; G454-K457 PolarHBondContact O-N 3.05Å; G454-Q458 WeakPolarHBondContact O-CG 3.47Å; G454-Q458 PolarHBondContact O-N 3.43Å; G454-Q458 VanDerWaalsContact O-N 3.11Å
455E85.1Confident81.8Confident66 Ų6670.7 Ų70.731%0.30839%0.392SS..Hα-helixtrans-59.4-44.3174-73.2-167.1-178.900112Y319 K426 D452 K457 Q458 N459Y319-E455 HydrophobicContact CE1-CB 4.24Å; Y319-E455 PolarHBondContact OH-OE2 3.1Å; K426-E455 WeakPolarHBondContact CD-OE2 3.34Å; K426-E455 WeakPolarHBondContact CE-OE2 3.2Å; K426-E455 IonicContact NZ-OE1 2.81Å; K426-E455 PolarHBondContact NZ-OE1 3.48Å; K426-E455 IonicContact NZ-OE2 3.37Å; K426-E455 PolarHBondContact NZ-OE2 3.07Å; D452-E455 HydrophobicContact CB-CB 4.2Å; D452-E455 HydrophobicContact CB-CG 4.06Å; D452-E455 PolarHBondContact O-N 2.68Å; D452-E455 PolarHBondContact OD1-N 2.85Å; E455-K457 VanDerWaalsContact C-N 3.31Å; E455-K457 PolarHBondContact O-N 2.88Å; E455-Q458 PolarHBondContact O-N 3.3Å; E455-N459 PolarHBondContact O-N 2.84Å; E455-N459 PolarHBondContact O-ND2 3.31Å; E455-N459 VanDerWaalsContact O-ND2 3.14Å
456V84.6Confident81.4Confident23 Ų2374.2 Ų74.214%0.13941%0.411CS..Hα-helixtrans-59.3-45.5179.1173.10000110.2Y319 R424 A451 D452 G454 Q458 M460Y319-V456 HydrophobicContact CD1-CG2 3.66Å; Y319-V456 HydrophobicContact CE1-CG2 4.16Å; Y319-V456 HydrophobicContact CG-CG2 4.36Å; R424-V456 HydrophobicContact CG-CG2 4.36Å; A451-V456 HydrophobicContact CB-CG2 3.51Å; D452-V456 WeakPolarHBondContact O-CG2 3.42Å; D452-V456 PolarHBondContact O-N 3.21Å; G454-V456 VanDerWaalsContact C-N 3.35Å; G454-V456 PolarHBondContact O-N 3.18Å; V456-Q458 PolarHBondContact O-N 2.79Å; V456-M460 HydrophobicContact CG1-CG 3.88Å; V456-M460 WeakPolarHBondContact O-CB 3.48Å; V456-M460 VanDerWaalsContact O-CG 3.27Å; V456-M460 WeakPolarHBondContact O-CG 3.11Å; V456-M460 PolarHBondContact O-N 2.97Å
457K84.5Confident81.1Confident158 Ų15877.7 Ų77.769%0.68743%0.431SS*.Hα-helixtrans-61.2-45.3179.1-175.7-179.4177.6-177.40111.5P453 G454 E455 S461P453-K457 PolarHBondContact O-N 2.9Å; P453-K457 VanDerWaalsContact O-N 3.13Å; G454-K457 PolarHBondContact O-N 3.05Å; E455-K457 VanDerWaalsContact C-N 3.31Å; E455-K457 PolarHBondContact O-N 2.88Å; K457-S461 VanDerWaalsContact O-CB 3.31Å; K457-S461 WeakPolarHBondContact O-CB 3.41Å; K457-S461 PolarHBondContact O-N 3.33Å; K457-S461 PolarHBondContact O-OG 2.8Å
458Q82.1Confident80.5Confident147 Ų14777.4 Ų77.469%0.68743%0.434SS*.Hα-helixtrans-64.1-46.5-178.7-71.4175.3-4.300112G454 E455 V456G454-Q458 WeakPolarHBondContact O-CG 3.47Å; G454-Q458 PolarHBondContact O-N 3.43Å; G454-Q458 VanDerWaalsContact O-N 3.11Å; E455-Q458 PolarHBondContact O-N 3.3Å; V456-Q458 PolarHBondContact O-N 2.79Å
459N81.1Confident79.7Confident49 Ų4981.6 Ų81.626%0.26246%0.457SS..Hα-helixtrans-81.7-37.4-174-69.3-52.6000113.1V297 Y319 E455 A462 L463V297-N459 HydrophobicContact CG1-CB 4.46Å; Y319-N459 HydrophobicContact CD2-CB 4.19Å; Y319-N459 HydrophobicContact CE2-CB 3.78Å; Y319-N459 PolarHBondContact OH-ND2 3.23Å; E455-N459 PolarHBondContact O-N 2.84Å; E455-N459 PolarHBondContact O-ND2 3.31Å; E455-N459 VanDerWaalsContact O-ND2 3.14Å; N459-A462 PolarHBondContact O-N 3.42Å; N459-L463 WeakPolarHBondContact O-CD1 3.17Å; N459-L463 WeakPolarHBondContact O-CG 3.15Å; N459-L463 PolarHBondContact O-N 3.06Å
460M73.8Confident78.9Confident38 Ų3883.5 Ų83.519%0.18746%0.462CS..Hα-helixtrans-72.1-29.7178.9-68.3-69.4-115.300112.6V456 A462 L463V456-M460 HydrophobicContact CG1-CG 3.88Å; V456-M460 WeakPolarHBondContact O-CB 3.48Å; V456-M460 VanDerWaalsContact O-CG 3.27Å; V456-M460 WeakPolarHBondContact O-CG 3.11Å; V456-M460 PolarHBondContact O-N 2.97Å; M460-A462 PolarHBondContact O-N 2.72Å; M460-L463 PolarHBondContact O-N 3.21Å
461S68Low77.8Confident78 Ų7881.9 Ų81.955%0.54546%0.456SS..Hα-helixtrans-68-22.6172.1-67.40000113.1K457K457-S461 VanDerWaalsContact O-CB 3.31Å; K457-S461 WeakPolarHBondContact O-CB 3.41Å; K457-S461 PolarHBondContact O-N 3.33Å; K457-S461 PolarHBondContact O-OG 2.8Å
462A61.1Low76.8Confident78 Ų7886.8 Ų86.865%0.64548%0.479SS*.THydrogen-bonded Turntrans-88.7-9.8177.500000113.7N459 M460N459-A462 PolarHBondContact O-N 3.42Å; M460-A462 PolarHBondContact O-N 2.72Å
463L63.1Low75.6Confident38 Ų3886.8 Ų86.820%0.19948%0.48CS..  trans-108.41.6-175.9-70.5166.5000113.7V297 T299 N459 M460V297-L463 HydrophobicContact CB-CD1 4.16Å; V297-L463 HydrophobicContact CG1-CD1 3.59Å; T299-L463 HydrophobicContact CG2-CB 4.33Å; N459-L463 WeakPolarHBondContact O-CD1 3.17Å; N459-L463 WeakPolarHBondContact O-CG 3.15Å; N459-L463 PolarHBondContact O-N 3.06Å; M460-L463 PolarHBondContact O-N 3.21Å
464Q51.6Low74.6Confident225 Ų22585 Ų85100%1.05146%0.461SS*.  trans-74.10166.5-73.1-175.3-26.900110.2

Retrieved 464 of 464 residues in 1159.3 ms (Link to these results)

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