A0A3Q0KCL0_SCHMA Loading...

Ras-related protein Rab-13

AlphaFold DB (Q26554), UniProt , Accession A0A3Q0KCL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M41.6Very low79.5Confident243 Ų24395.5 Ų95.5100%1.19750%0.499SS*.  0123.50-74.5178-175.600108.3K3M1-K3 PolarHBondContact O-N 3.37Å
2A51.9Low80.9Confident102 Ų10287.6 Ų87.684%0.84346%0.457SS*.PPolyproline II helixtrans-62121.2175.700000109.4K4A2-K4 PolarHBondContact O-N 3.28Å
3K59.3Low82Confident205 Ų20580.8 Ų80.889%0.89142%0.422SS*.PPolyproline II helixtrans-58.1122.1177.5-168.7175.1-177.9179.80107.8M1 S5M1-K3 PolarHBondContact O-N 3.37Å; K3-S5 PolarHBondContact O-N 3.42Å
4K69.6Low83Confident159 Ų15975.1 Ų75.169%0.69139%0.392SS*.PPolyproline II helixtrans-54.9128.9174.8-74.4-174.2179179.30107.9A2 Y6A2-K4 PolarHBondContact O-N 3.28Å; K4-Y6 PolarHBondContact O-N 3.1Å; K4-Y6 VanDerWaalsContact O-N 3.14Å
5S86.3Confident83.7Confident76 Ų7670.1 Ų70.153%0.53137%0.366SS..SBendtrans-77.811.2-176.656.70000113.9K3 K57K3-S5 PolarHBondContact O-N 3.42Å; S5-K57 WeakPolarHBondContact O-CD 3.33Å; S5-K57 WeakPolarHBondContact O-CE 3.38Å; S5-K57 PolarHBondContact O-NZ 2.8Å
6Y90.8Very high84.4Confident52 Ų5265.8 Ų65.820%0.20434%0.343CS..  trans-155.3152-175.661.4-91.7000110.2K4 A8 L9 K57 K59K4-Y6 PolarHBondContact O-N 3.1Å; K4-Y6 VanDerWaalsContact O-N 3.14Å; Y6-A8 WeakPolarHBondContact CD2-O 3.46Å; Y6-L9 HydrophobicContact CD2-CB 4.44Å; Y6-L9 HydrophobicContact CE2-CB 3.74Å; Y6-K57 CarbonylContact C-O 3.54Å; Y6-K57 WeakPolarHBondContact CA-O 3.49Å; Y6-K57 WeakPolarHBondContact CB-O 3.49Å; Y6-K59 HydrophobicContact CD1-CB 4.31Å; Y6-K59 HydrophobicContact CD1-CD 4.23Å; Y6-K59 VanDerWaalsContact CD1-CE 3.48Å; Y6-K59 HydrophobicContact CD2-CB 4.2Å; Y6-K59 HydrophobicContact CE1-CD 4.17Å; Y6-K59 HydrophobicContact CG-CB 3.99Å
7D92.8Very high84.8Confident103 Ų10363.3 Ų63.355%0.55133%0.331SS*.SBendtrans-88.4-29.1-178.3-56.7-62000112.7K56 K57D7-K56 HydrophobicContact CB-CB 4.22Å; D7-K56 HydrophobicContact CB-CG 4.46Å; D7-K56 WeakPolarHBondContact OD2-CA 3.34Å; D7-K57 PolarHBondContact N-O 2.91Å; D7-K57 PolarHBondContact OD2-N 2.65Å
8A94.3Very high85.2Confident9 Ų961.4 Ų61.47%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-144.6150.2179.400000112.4Y6 F10 K57 I58 K59Y6-A8 WeakPolarHBondContact CD2-O 3.46Å; A8-F10 HydrophobicContact CB-CD1 4.28Å; A8-F10 HydrophobicContact CB-CE1 3.65Å; A8-F10 HydrophobicContact CB-CZ 3.9Å; A8-K57 PolarHBondContact N-O 3.45Å; A8-I58 HydrophobicContact CB-CG1 4.37Å; A8-I58 HydrophobicContact CB-CG2 4.38Å; A8-K59 PolarHBondContact O-N 3.47Å
9L95Very high85.5Confident66 Ų6659.5 Ų59.535%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-121.6117.1174.2179.269.1000108Y6 K59 Q61Y6-L9 HydrophobicContact CD2-CB 4.44Å; Y6-L9 HydrophobicContact CE2-CB 3.74Å; L9-K59 CarbonylContact C-O 3.57Å; L9-K59 WeakPolarHBondContact CA-O 3.34Å; L9-K59 HydrophobicContact CD1-CB 3.82Å; L9-K59 HydrophobicContact CD1-CD 3.81Å; L9-K59 HydrophobicContact CD1-CG 3.72Å; L9-K59 WeakPolarHBondContact CD1-O 2.79Å; L9-Q61 HydrophobicContact CD1-CG 3.75Å
10F96.6Very high86Confident6 Ų656.6 Ų56.63%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-115.8133179.7-60.8-20.7000111.4A8 I58 K59 L60 Q61 M83 T167 I170 L171A8-F10 HydrophobicContact CB-CD1 4.28Å; A8-F10 HydrophobicContact CB-CE1 3.65Å; A8-F10 HydrophobicContact CB-CZ 3.9Å; F10-I58 HydrophobicContact CD2-CG2 3.49Å; F10-I58 VanDerWaalsContact CD2-CG2 3.49Å; F10-I58 HydrophobicContact CE2-CD1 3.88Å; F10-I58 HydrophobicContact CE2-CG2 3.69Å; F10-I58 HydrophobicContact CG-CG2 3.97Å; F10-I58 HydrophobicContact CZ-CD1 4.4Å; F10-I58 HydrophobicContact CZ-CG2 4.33Å; F10-K59 PolarHBondContact N-O 2.77Å; F10-L60 HydrophobicContact CB-CD2 3.98Å; F10-L60 HydrophobicContact CD2-CD2 4.15Å; F10-Q61 WeakPolarHBondContact O-CB 3.39Å; F10-Q61 PolarHBondContact O-N 3.42Å; F10-M83 HydrophobicContact CB-SD 4.28Å; F10-M83 HydrophobicContact CD1-CE 3.45Å; F10-M83 VanDerWaalsContact CD1-CE 3.45Å; F10-M83 HydrophobicContact CD1-SD 3.59Å; F10-M83 VanDerWaalsContact CD1-SD 3.59Å; F10-M83 HydrophobicContact CE1-CE 3.66Å; F10-M83 HydrophobicContact CE1-SD 4.39Å; F10-M83 HydrophobicContact CG-CE 4.4Å; F10-M83 HydrophobicContact CG-SD 4.29Å; F10-T167 HydrophobicContact CD2-CG2 3.89Å; F10-T167 HydrophobicContact CE2-CG2 3.97Å; F10-I170 HydrophobicContact CB-CD1 4.5Å; F10-I170 HydrophobicContact CB-CG2 4.45Å; F10-I170 HydrophobicContact CD1-CG2 3.79Å; F10-I170 HydrophobicContact CD2-CB 4.04Å; F10-I170 HydrophobicContact CD2-CD1 4.35Å; F10-I170 HydrophobicContact CD2-CG2 3.63Å; F10-I170 HydrophobicContact CE1-CG2 3.82Å; F10-I170 HydrophobicContact CE2-CB 3.99Å; F10-I170 HydrophobicContact CE2-CG2 3.66Å; F10-I170 HydrophobicContact CG-CG2 3.72Å; F10-I170 HydrophobicContact CZ-CB 4.48Å; F10-I170 HydrophobicContact CZ-CG2 3.78Å; F10-L171 HydrophobicContact CE2-CB 4.15Å; F10-L171 HydrophobicContact CZ-CB 4.17Å; F10-L171 HydrophobicContact CZ-CD1 4.01Å
11K95.8Very high86.5Confident30 Ų3054.4 Ų54.413%0.1330%0.295CS..EExtended strand (participates in β ladder)trans-95.5118173.1-174-178.6-177.6-1660109.5Q61 Y78 R80 G81 M83 G84K11-Q61 CarbonylContact C-O 3.6Å; K11-Q61 WeakPolarHBondContact CA-O 3.38Å; K11-Y78 WeakPolarHBondContact CE-O 3.09Å; K11-Y78 PolarHBondContact NZ-O 3.24Å; K11-R80 PolarHBondContact NZ-O 2.6Å; K11-G81 WeakPolarHBondContact CB-O 3.26Å; K11-M83 PolarHBondContact O-N 3.24Å; K11-G84 PolarHBondContact O-N 2.98Å
12I96.9Very high89Confident0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-111.9133.4175.9-63.3174.4000108.7L14 L60 Q61 I62 W63 G84 M86 L166 I170I12-L14 HydrophobicContact CG2-CD2 4.24Å; I12-L60 HydrophobicContact CD1-CD1 4.44Å; I12-L60 HydrophobicContact CD1-CD2 4.07Å; I12-Q61 PolarHBondContact N-O 3Å; I12-I62 HydrophobicContact CB-CG2 4.48Å; I12-I62 HydrophobicContact CG2-CG2 4.38Å; I12-I62 WeakPolarHBondContact O-CA 3.23Å; I12-W63 PolarHBondContact O-N 2.84Å; I12-G84 VanDerWaalsContact CA-O 3.3Å; I12-G84 WeakPolarHBondContact CA-O 3.25Å; I12-M86 HydrophobicContact CG2-CG 4.27Å; I12-M86 HydrophobicContact CG2-SD 4.37Å; I12-L166 HydrophobicContact CD1-CD2 4.28Å; I12-L166 HydrophobicContact CG1-CD2 4.35Å; I12-L166 HydrophobicContact CG2-CD2 3.88Å; I12-I170 HydrophobicContact CD1-CD1 4.45Å; I12-I170 HydrophobicContact CG1-CD1 4.14Å
13L95.4Very high91Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-111.5130.4176.3-172.367.8000110I15 W63 T65 I74 Y79 G84 I85 M86L13-I15 HydrophobicContact CD2-CG2 3.69Å; L13-I15 HydrophobicContact CG-CG2 3.71Å; L13-W63 HydrophobicContact CD1-CB 3.66Å; L13-T65 HydrophobicContact CD1-CG2 3.53Å; L13-T65 HydrophobicContact CG-CG2 4.33Å; L13-I74 HydrophobicContact CD2-CG2 4.44Å; L13-Y79 HydrophobicContact CD2-CD1 4.04Å; L13-Y79 HydrophobicContact CD2-CD2 4.47Å; L13-Y79 HydrophobicContact CD2-CE1 4.07Å; L13-Y79 HydrophobicContact CD2-CE2 4.49Å; L13-Y79 HydrophobicContact CD2-CG 4.26Å; L13-G84 PolarHBondContact N-O 3.21Å; L13-I85 HydrophobicContact CB-CG1 4.31Å; L13-I85 WeakPolarHBondContact O-CA 3.46Å; L13-M86 PolarHBondContact O-N 3.48Å
14L95.6Very high92.7Very high1 Ų132.6 Ų32.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-96.6122.4172.2-50.1-176.2000108.7I12 K22 L26 I62 W63 D64 T65 M86 I88 F163I12-L14 HydrophobicContact CG2-CD2 4.24Å; L14-K22 HydrophobicContact CB-CB 4.26Å; L14-K22 HydrophobicContact CB-CD 4.41Å; L14-L26 HydrophobicContact CD1-CB 3.87Å; L14-I62 HydrophobicContact CD1-CG2 4.01Å; L14-I62 HydrophobicContact CD2-CG2 4.09Å; L14-I62 HydrophobicContact CG-CG2 3.92Å; L14-W63 PolarHBondContact N-O 3.24Å; L14-D64 HydrophobicContact CD1-CB 4.34Å; L14-T65 WeakPolarHBondContact O-CG2 3.25Å; L14-T65 PolarHBondContact O-OG1 2.73Å; L14-M86 HydrophobicContact CD2-CB 3.75Å; L14-M86 HydrophobicContact CD2-CG 4.05Å; L14-M86 HydrophobicContact CD2-SD 3.73Å; L14-I88 HydrophobicContact CB-CD1 4.04Å; L14-I88 HydrophobicContact CD2-CD1 4.35Å; L14-F163 HydrophobicContact CD2-CE1 4.27Å; L14-F163 HydrophobicContact CD2-CZ 4.37Å
15I94.1Very high94Very high0 Ų025.2 Ų25.20%015%0.151CC..EExtended strand (participates in β ladder)trans-130.3162-179.765.6168.8000111.2L13 I74 I85 M86 L87 I88 W103 T107L13-I15 HydrophobicContact CD2-CG2 3.69Å; L13-I15 HydrophobicContact CG-CG2 3.71Å; I15-I74 HydrophobicContact CB-CD1 4.21Å; I15-I74 HydrophobicContact CG2-CD1 3.56Å; I15-I85 HydrophobicContact CD1-CG2 3.54Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-M86 PolarHBondContact N-O 2.95Å; I15-L87 HydrophobicContact CD1-CB 4.33Å; I15-L87 HydrophobicContact CD1-CD1 4.01Å; I15-L87 HydrophobicContact CG1-CB 4.08Å; I15-L87 HydrophobicContact CG1-CD1 3.77Å; I15-I88 WeakPolarHBondContact O-CD1 3.26Å; I15-I88 PolarHBondContact O-N 2.91Å; I15-W103 HydrophobicContact CB-CE3 4.06Å; I15-W103 HydrophobicContact CB-CZ3 4.24Å; I15-W103 HydrophobicContact CD1-CB 4.33Å; I15-W103 HydrophobicContact CD1-CE3 4.21Å; I15-T107 WeakPolarHBondContact CD1-OG1 3.46Å
16G94.2Very high94.5Very high0 Ų021.6 Ų21.60%013%0.126CC..  trans134.9170.5-175.200000111.5K22 I88 W103G16-K22 PolarHBondContact O-NZ 3.35Å; G16-I88 WeakPolarHBondContact CA-O 3.36Å; G16-W103 VanDerWaalsContact C-CZ2 3.41Å; G16-W103 WeakPolarHBondContact O-CZ2 3.16Å
17D92.3Very high94.6Very high24 Ų2420.4 Ų20.413%0.12812%0.124CC..  trans-61.5166.1-174.7-74.29.8000113.4V20 K22 T96 N99 W103D17-V20 HydrophobicContact CB-CG1 3.8Å; D17-V20 VanDerWaalsContact O-CG2 3.26Å; D17-V20 WeakPolarHBondContact O-CG2 3.46Å; D17-K22 PolarHBondContact O-NZ 2.77Å; D17-T96 HydrophobicContact CB-CG2 3.87Å; D17-N99 PolarHBondContact OD2-ND2 2.88Å; D17-W103 PolarHBondContact OD1-NE1 2.98Å
18S91.1Very high94.8Very high30 Ų3017.2 Ų17.221%0.2110%0.104CC..THydrogen-bonded Turntrans-60143.4169-163.60000110.3V20 G67 Q68S18-V20 PolarHBondContact O-N 3.14Å; S18-G67 WeakPolarHBondContact CB-O 3.38Å; S18-G67 PolarHBondContact N-O 3.09Å; S18-G67 VanDerWaalsContact N-O 3.07Å; S18-Q68 PolarHBondContact OG-NE2 3.22Å
19G91.8Very high94.9Very high25 Ų2517.1 Ų17.126%0.25810%0.102SC..THydrogen-bonded Turntrans77.8-6.6174.500000116.8G21 F38 K123G19-G21 PolarHBondContact O-N 3.21Å; G19-F38 VanDerWaalsContact CA-CE2 3.47Å; G19-K123 VanDerWaalsContact O-CE 3.31Å; G19-K123 WeakPolarHBondContact O-CE 3.31Å; G19-K123 PolarHBondContact O-NZ 2.9Å
20V95.3Very high94.9Very high0 Ų015.8 Ų15.80%010%0.097CC..SBendtrans-68.7-15.9178.8-55.60000113.7D17 S18 K22 I88 D90 T96 N122D17-V20 HydrophobicContact CB-CG1 3.8Å; D17-V20 VanDerWaalsContact O-CG2 3.26Å; D17-V20 WeakPolarHBondContact O-CG2 3.46Å; S18-V20 PolarHBondContact O-N 3.14Å; V20-K22 HydrophobicContact CG2-CD 4.28Å; V20-K22 HydrophobicContact CG2-CG 3.58Å; V20-I88 HydrophobicContact CB-CG2 4.15Å; V20-I88 HydrophobicContact CG2-CB 4Å; V20-I88 HydrophobicContact CG2-CG2 3.8Å; V20-D90 HydrophobicContact CB-CB 4.4Å; V20-D90 HydrophobicContact CG1-CB 4.28Å; V20-T96 HydrophobicContact CG1-CG2 3.73Å; V20-N122 PolarHBondContact O-ND2 3.47Å
21G95Very high94.8Very high11 Ų1120 Ų2011%0.11312%0.116CC..  trans98.626.4174.300000115.8G19 C24 L25G19-G21 PolarHBondContact O-N 3.21Å; G21-C24 PolarHBondContact O-N 3.24Å; G21-L25 WeakPolarHBondContact O-CG 3.44Å; G21-L25 PolarHBondContact O-N 2.99Å
22K95.1Very high94.7Very high9 Ų923 Ų234%0.03913%0.131CC..Hα-helixtrans-54-54176.1-52.9-170.8-67.9-76.50112.4L14 G16 D17 V20 C24 L25 L26 D64 T65 I88L14-K22 HydrophobicContact CB-CB 4.26Å; L14-K22 HydrophobicContact CB-CD 4.41Å; G16-K22 PolarHBondContact O-NZ 3.35Å; D17-K22 PolarHBondContact O-NZ 2.77Å; V20-K22 HydrophobicContact CG2-CD 4.28Å; V20-K22 HydrophobicContact CG2-CG 3.58Å; K22-C24 VanDerWaalsContact C-N 3.32Å; K22-C24 PolarHBondContact O-N 3.36Å; K22-L25 PolarHBondContact O-N 3.16Å; K22-L26 PolarHBondContact O-N 3.04Å; K22-D64 WeakPolarHBondContact CB-OD1 3.21Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; K22-I88 HydrophobicContact CD-CD1 4.37Å; K22-I88 HydrophobicContact CG-CB 4.32Å; K22-I88 HydrophobicContact CG-CD1 3.99Å
23T93.8Very high94.5Very high41 Ų4124.9 Ų24.925%0.25214%0.144SC..Hα-helixtrans-59.4-41.8175.9-45.70000111.9L25 L26 V27 T41 D64T23-L25 PolarHBondContact O-N 2.96Å; T23-L26 PolarHBondContact O-N 3.04Å; T23-V27 HydrophobicContact CG2-CG2 4.29Å; T23-V27 WeakPolarHBondContact O-CB 3.49Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.35Å; T23-V27 PolarHBondContact O-N 3.25Å; T23-T41 PolarHBondContact OG1-OG1 3.36Å; T23-D64 VanDerWaalsContact CA-OD2 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.33Å; T23-D64 VanDerWaalsContact CB-OD2 3.22Å; T23-D64 WeakPolarHBondContact CB-OD2 3.46Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.43Å; T23-D64 PolarHBondContact N-OD1 3.43Å; T23-D64 PolarHBondContact OG1-OD2 3.01Å
24C95.4Very high94.2Very high42 Ų4228.2 Ų28.228%0.28416%0.159SC..Hα-helixtrans-65.1-39.4179-54.50000111.8G21 K22 R28 F34 A153G21-C24 PolarHBondContact O-N 3.24Å; K22-C24 VanDerWaalsContact C-N 3.32Å; K22-C24 PolarHBondContact O-N 3.36Å; C24-R28 WeakPolarHBondContact O-CB 3.36Å; C24-R28 PolarHBondContact O-N 3.42Å; C24-F34 HydrophobicContact CB-CD2 4.38Å; C24-F34 HydrophobicContact CB-CE2 4.2Å; C24-A153 HydrophobicContact CB-CB 3.62Å
25L96.5Very high93.8Very high4 Ų432.2 Ų32.22%0.02118%0.183CC..Hα-helixtrans-64.3-43.9173.8-74.4169.8000111.2G21 K22 T23 R28 Y29 I88 I120 N122 A153 V159G21-L25 WeakPolarHBondContact O-CG 3.44Å; G21-L25 PolarHBondContact O-N 2.99Å; K22-L25 PolarHBondContact O-N 3.16Å; T23-L25 PolarHBondContact O-N 2.96Å; L25-R28 PolarHBondContact O-N 2.99Å; L25-Y29 WeakPolarHBondContact O-CB 3.42Å; L25-Y29 PolarHBondContact O-N 3.45Å; L25-I88 HydrophobicContact CD1-CG1 4.04Å; L25-I88 HydrophobicContact CD1-CG2 3.98Å; L25-I120 HydrophobicContact CD1-CG2 4.14Å; L25-N122 HydrophobicContact CD1-CB 4.27Å; L25-A153 HydrophobicContact CD2-CB 4Å; L25-A153 HydrophobicContact CG-CB 4.22Å; L25-V159 HydrophobicContact CD2-CG1 4.35Å; L25-V159 HydrophobicContact CD2-CG2 3.77Å
26L95.8Very high93.1Very high1 Ų137.5 Ų37.51%0.00522%0.218CC..Hα-helixtrans-61.4-51.5177.5178.854.9000111.8L14 K22 T23 R28 Y29 V30 K47 I62 D64L14-L26 HydrophobicContact CD1-CB 3.87Å; K22-L26 PolarHBondContact O-N 3.04Å; T23-L26 PolarHBondContact O-N 3.04Å; L26-R28 VanDerWaalsContact C-N 3.35Å; L26-Y29 PolarHBondContact O-N 3.34Å; L26-V30 HydrophobicContact CD1-CG2 3.71Å; L26-V30 WeakPolarHBondContact O-CB 3.47Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 3.02Å; L26-K47 HydrophobicContact CD1-CB 4.08Å; L26-K47 HydrophobicContact CD1-CG 4.26Å; L26-K47 HydrophobicContact CD2-CB 4.18Å; L26-K47 HydrophobicContact CD2-CG 3.74Å; L26-K47 HydrophobicContact CG-CB 4.35Å; L26-K47 HydrophobicContact CG-CG 3.98Å; L26-I62 HydrophobicContact CD1-CB 3.75Å; L26-I62 HydrophobicContact CD1-CD1 3.77Å; L26-I62 HydrophobicContact CD1-CG1 4.37Å; L26-I62 HydrophobicContact CD1-CG2 3.61Å; L26-I62 HydrophobicContact CD2-CG2 4.48Å; L26-D64 HydrophobicContact CD2-CB 3.6Å
27V94.3Very high92.4Very high27 Ų2742.1 Ų42.116%0.16425%0.246CC..Hα-helixtrans-61.7-44.8178.91700000110.2T23 Y29 V30 E31 S33T23-V27 HydrophobicContact CG2-CG2 4.29Å; T23-V27 WeakPolarHBondContact O-CB 3.49Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.35Å; T23-V27 PolarHBondContact O-N 3.25Å; V27-Y29 VanDerWaalsContact C-N 3.31Å; V27-Y29 PolarHBondContact O-N 3.29Å; V27-V30 PolarHBondContact O-N 3.17Å; V27-E31 HydrophobicContact CG1-CB 4.37Å; V27-E31 WeakPolarHBondContact O-CA 3.48Å; V27-E31 WeakPolarHBondContact O-CB 3.5Å; V27-E31 PolarHBondContact O-N 3.4Å; V27-S33 WeakPolarHBondContact CG1-OG 3.35Å
28R96.6Very high91.6Very high36 Ų3647.1 Ų47.114%0.13627%0.267CS..Hα-helixtrans-57.9-45.7176175.857.175-176.510.3111.3C24 L25 L26 E32 S33 A153 K154 S156 V159C24-R28 WeakPolarHBondContact O-CB 3.36Å; C24-R28 PolarHBondContact O-N 3.42Å; L25-R28 PolarHBondContact O-N 2.99Å; L26-R28 VanDerWaalsContact C-N 3.35Å; R28-E32 VanDerWaalsContact NH1-C 3.27Å; R28-E32 PolarHBondContact NH1-O 2.88Å; R28-E32 VanDerWaalsContact O-CA 3.25Å; R28-E32 WeakPolarHBondContact O-CA 3.43Å; R28-E32 PolarHBondContact O-N 3.08Å; R28-E32 VanDerWaalsContact O-N 3.08Å; R28-S33 WeakPolarHBondContact CA-O 3.5Å; R28-A153 PolarHBondContact NE-O 2.77Å; R28-A153 PolarHBondContact NH2-O 3.13Å; R28-K154 PolarHBondContact NH2-O 2.83Å; R28-S156 WeakPolarHBondContact CD-OG 3.34Å; R28-V159 HydrophobicContact CB-CG1 4.29Å; R28-V159 HydrophobicContact CG-CB 4.2Å; R28-V159 HydrophobicContact CG-CG1 3.96Å; R28-V159 HydrophobicContact CG-CG2 4Å
29Y97.1Very high90.9Very high6 Ų651.9 Ų51.92%0.02429%0.288CS..Hα-helixtrans-68.4-39.1-179.6178.4-122.3000113.2L25 L26 V27 K49 I51 L60 I62 H160 F163L25-Y29 WeakPolarHBondContact O-CB 3.42Å; L25-Y29 PolarHBondContact O-N 3.45Å; L26-Y29 PolarHBondContact O-N 3.34Å; V27-Y29 VanDerWaalsContact C-N 3.31Å; V27-Y29 PolarHBondContact O-N 3.29Å; Y29-K49 HydrophobicContact CD1-CD 4.1Å; Y29-K49 HydrophobicContact CE1-CB 4.48Å; Y29-K49 HydrophobicContact CE1-CD 3.74Å; Y29-K49 HydrophobicContact CE1-CG 4.36Å; Y29-K49 HydrophobicContact CE2-CD 4.39Å; Y29-K49 PolarHBondContact O-NZ 3.24Å; Y29-I51 WeakPolarHBondContact OH-CG2 3.21Å; Y29-L60 HydrophobicContact CE1-CD1 4.1Å; Y29-L60 WeakPolarHBondContact OH-CD1 3.44Å; Y29-I62 HydrophobicContact CD1-CD1 3.81Å; Y29-I62 HydrophobicContact CE1-CD1 3.8Å; Y29-H160 AromaticContact CD2-CE1 3.86Å; Y29-H160 AromaticContact CD2-ND1 3.6Å; Y29-H160 AromaticContact CE2-ND1 3.52Å; Y29-F163 VanDerWaalsContact CB-CE2 3.43Å; Y29-F163 HydrophobicContact CD1-CB 4.21Å; Y29-F163 AromaticContact CD1-CD1 3.8Å; Y29-F163 HydrophobicContact CD1-CD1 3.8Å; Y29-F163 AromaticContact CD1-CD2 3.57Å; Y29-F163 HydrophobicContact CD1-CD2 3.57Å; Y29-F163 HydrophobicContact CD1-CE1 4.01Å; Y29-F163 AromaticContact CD1-CE2 3.81Å; Y29-F163 HydrophobicContact CD1-CE2 3.81Å; Y29-F163 AromaticContact CD1-CG 3.58Å; Y29-F163 HydrophobicContact CD1-CG 3.58Å; Y29-F163 HydrophobicContact CD1-CZ 4.02Å; Y29-F163 HydrophobicContact CD2-CB 4.1Å; Y29-F163 AromaticContact CD2-CD2 3.63Å; Y29-F163 HydrophobicContact CD2-CD2 3.63Å; Y29-F163 HydrophobicContact CD2-CE2 4.34Å; Y29-F163 HydrophobicContact CD2-CG 4.01Å; Y29-F163 HydrophobicContact CE1-CB 3.8Å; Y29-F163 AromaticContact CE1-CD1 3.79Å; Y29-F163 HydrophobicContact CE1-CD1 3.79Å; Y29-F163 HydrophobicContact CE1-CD2 4.07Å; Y29-F163 HydrophobicContact CE1-CE1 4.39Å; Y29-F163 AromaticContact CE1-CG 3.61Å; Y29-F163 HydrophobicContact CE1-CG 3.61Å; Y29-F163 HydrophobicContact CE2-CB 3.71Å; Y29-F163 HydrophobicContact CE2-CD2 4.14Å; Y29-F163 HydrophobicContact CE2-CG 4.06Å; Y29-F163 HydrophobicContact CG-CB 4.34Å; Y29-F163 HydrophobicContact CG-CD1 4.4Å; Y29-F163 AromaticContact CG-CD2 3.31Å; Y29-F163 HydrophobicContact CG-CD2 3.31Å; Y29-F163 AromaticContact CG-CE2 3.61Å; Y29-F163 HydrophobicContact CG-CE2 3.61Å; Y29-F163 AromaticContact CG-CG 3.77Å; Y29-F163 HydrophobicContact CG-CG 3.77Å; Y29-F163 HydrophobicContact CG-CZ 4.27Å; Y29-F163 AromaticContact CZ-CG 3.85Å
30V95.1Very high90.3Very high39 Ų3952.7 Ų52.724%0.23629%0.29CS..Hα-helixtrans-86.7-40.4-173.6176.10000112.1L26 V27 K47 K49 I62L26-V30 HydrophobicContact CD1-CG2 3.71Å; L26-V30 WeakPolarHBondContact O-CB 3.47Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 3.02Å; V27-V30 PolarHBondContact O-N 3.17Å; V30-K47 HydrophobicContact CG1-CB 4.47Å; V30-K47 HydrophobicContact CG1-CD 4.44Å; V30-K47 HydrophobicContact CG2-CB 4.06Å; V30-K49 HydrophobicContact CG2-CB 4.34Å; V30-K49 HydrophobicContact CG2-CD 4.37Å; V30-I62 HydrophobicContact CG2-CD1 4.47Å
31E93.4Very high89.1Confident94 Ų9454.2 Ų54.244%0.43930%0.299SS..Hα-helixtrans-114.1-3.3-167.6-56.7178.2-170.600113.2V27 S33 K47V27-E31 HydrophobicContact CG1-CB 4.37Å; V27-E31 WeakPolarHBondContact O-CA 3.48Å; V27-E31 WeakPolarHBondContact O-CB 3.5Å; V27-E31 PolarHBondContact O-N 3.4Å; E31-S33 PolarHBondContact O-N 3.5Å; E31-S33 VanDerWaalsContact O-N 3.07Å; E31-K47 IonicContact OE1-NZ 2.74Å; E31-K47 PolarHBondContact OE1-NZ 3.5Å
32E93.4Very high88.1Confident92 Ų9261.2 Ų61.243%0.4333%0.333SS..SBendtrans52.827.3-175-59.4-56.8145.400113.6R28 H160R28-E32 VanDerWaalsContact NH1-C 3.27Å; R28-E32 PolarHBondContact NH1-O 2.88Å; R28-E32 VanDerWaalsContact O-CA 3.25Å; R28-E32 WeakPolarHBondContact O-CA 3.43Å; R28-E32 PolarHBondContact O-N 3.08Å; R28-E32 VanDerWaalsContact O-N 3.08Å; E32-H160 IonicContact OE1-CD2 3.58Å; E32-H160 IonicContact OE1-CE1 4Å; E32-H160 PolarHBondContact OE1-CE1 2.9Å; E32-H160 IonicContact OE1-NE2 2.65Å; E32-H160 PolarHBondContact OE1-NE2 3.13Å; E32-H160 IonicContact OE2-NE2 3.64Å; E32-H160 PolarHBondContact OE2-NE2 2.98Å
33S92.9Very high87Confident41 Ų4162.8 Ų62.829%0.28735%0.351SS..  trans-118.2163.3-177.575.70000111.5V27 R28 E31V27-S33 WeakPolarHBondContact CG1-OG 3.35Å; R28-S33 WeakPolarHBondContact CA-O 3.5Å; E31-S33 PolarHBondContact O-N 3.5Å; E31-S33 VanDerWaalsContact O-N 3.07Å
34F90Very high86.3Confident69 Ų6963.2 Ų63.230%0.30335%0.351SS..  trans-146.1126.9173.4175.3-96.5000110.1C24 P36 A153 K154C24-F34 HydrophobicContact CB-CD2 4.38Å; C24-F34 HydrophobicContact CB-CE2 4.2Å; F34-P36 HydrophobicContact CE1-CB 3.93Å; F34-A153 HydrophobicContact CD2-CB 4.22Å; F34-A153 HydrophobicContact CE2-CB 4.22Å; F34-K154 HydrophobicContact CD1-CG 4.22Å; F34-K154 HydrophobicContact CD2-CB 4.47Å; F34-K154 HydrophobicContact CE1-CB 4.12Å; F34-K154 HydrophobicContact CE1-CG 3.8Å; F34-K154 HydrophobicContact CE2-CB 4.05Å; F34-K154 HydrophobicContact CZ-CB 3.86Å; F34-K154 HydrophobicContact CZ-CG 4.03Å
35V85.8Confident85.8Confident85 Ų8564.5 Ų64.552%0.51536%0.355SS..  trans-108.1117.3175.1-1780000107.5T37V35-T37 PolarHBondContact O-N 2.65Å
36P79.9Confident85.3Confident112 Ų11267.6 Ų67.673%0.72737%0.369SS*.  trans-70.5-17.2-176.827.8-34.3000113.2F34 F38F34-P36 HydrophobicContact CE1-CB 3.93Å; P36-F38 PolarHBondContact O-N 3.05Å
37T79.6Confident85.1Confident96 Ų9670.2 Ų70.259%0.58938%0.38SS*.SBendtrans-72.3120.9-179.7-49.60000110.7V35 I39V35-T37 PolarHBondContact O-N 2.65Å; T37-I39 HydrophobicContact CG2-CG1 4.25Å; T37-I39 PolarHBondContact O-N 3.02Å; T37-I39 VanDerWaalsContact O-N 3.15Å
38F75.5Confident85.1Confident130 Ų13073 Ų7357%0.5739%0.393SS*.  trans-73.2106.4172.5180-111.2000110.3G19 P36 S40G19-F38 VanDerWaalsContact CA-CE2 3.47Å; P36-F38 PolarHBondContact O-N 3.05Å; F38-S40 VanDerWaalsContact CE1-OG 3.29Å; F38-S40 WeakPolarHBondContact CE1-OG 3.33Å; F38-S40 WeakPolarHBondContact CZ-OG 3.42Å
39I77Confident85.1Confident129 Ų12973.4 Ų73.466%0.66240%0.396SS*.  trans-106.8118.2168.2-57.6175.8000106.5T37 T41T37-I39 HydrophobicContact CG2-CG1 4.25Å; T37-I39 PolarHBondContact O-N 3.02Å; T37-I39 VanDerWaalsContact O-N 3.15Å; I39-T41 PolarHBondContact O-N 3.47Å
40S79.1Confident85Confident42 Ų4276 Ų7629%0.29441%0.412SS..PPolyproline II helixtrans-63124.1175.8-75.70000109.8F38 I42 Q68F38-S40 VanDerWaalsContact CE1-OG 3.29Å; F38-S40 WeakPolarHBondContact CE1-OG 3.33Å; F38-S40 WeakPolarHBondContact CZ-OG 3.42Å; S40-I42 PolarHBondContact O-N 3.03Å; S40-Q68 PolarHBondContact OG-NE2 3.47Å; S40-Q68 VanDerWaalsContact OG-NE2 3.13Å
41T70.9Confident85.1Confident32 Ų3275.5 Ų75.520%0.19641%0.408CS..PPolyproline II helixtrans-62.4124.6172.5-43.80000109.1T23 I39 A66T23-T41 PolarHBondContact OG1-OG1 3.36Å; I39-T41 PolarHBondContact O-N 3.47Å; T41-A66 WeakPolarHBondContact O-CB 3.41Å
42I72.4Confident85.2Confident159 Ų15978.5 Ų78.582%0.81542%0.422SS*.PPolyproline II helixtrans-98121.5174.3-59.7175.6000107.1S40 I44S40-I42 PolarHBondContact O-N 3.03Å; I42-I44 PolarHBondContact O-N 3.31Å
43G72.9Confident85.3Confident41 Ų4174.7 Ų74.742%0.42341%0.405SS..SBendtrans72.1-127-179.100000112.6A66G43-A66 WeakPolarHBondContact O-CB 3.36Å; G43-A66 PolarHBondContact O-N 3.31Å
44I78Confident85.4Confident51 Ų5177.7 Ų77.726%0.26241%0.414SS..EExtended strand (participates in β ladder)trans-137.3131.9-177.4-62-169.2000109.2I42 W63 D64 T65 Y78I42-I44 PolarHBondContact O-N 3.31Å; I44-W63 HydrophobicContact CG2-CE3 3.83Å; I44-D64 VanDerWaalsContact CA-O 3.29Å; I44-D64 WeakPolarHBondContact CA-O 3.33Å; I44-D64 WeakPolarHBondContact CG2-O 3.48Å; I44-T65 HydrophobicContact CD1-CG2 4Å; I44-T65 HydrophobicContact CG1-CG2 4.37Å; I44-Y78 HydrophobicContact CD1-CD1 3.51Å; I44-Y78 HydrophobicContact CD1-CD2 3.49Å; I44-Y78 VanDerWaalsContact CD1-CD2 3.49Å; I44-Y78 HydrophobicContact CD1-CE1 3.35Å; I44-Y78 HydrophobicContact CD1-CE2 3.29Å; I44-Y78 HydrophobicContact CD1-CG 3.59Å; I44-Y78 HydrophobicContact CG1-CE1 4.49Å; I44-Y78 HydrophobicContact CG1-CE2 4.48Å
45D84.7Confident85.6Confident68 Ų6877.5 Ų77.536%0.36443%0.431SS..EExtended strand (participates in β ladder)trans-101.8156.7170-165.915.7000110.2D64D45-D64 HydrophobicContact CB-CB 4.42Å; D45-D64 PolarHBondContact N-O 3.37Å; D45-D64 PolarHBondContact O-N 2.81Å
46F86Confident86Confident70 Ų7077 Ų7731%0.30742%0.423SS..EExtended strand (participates in β ladder)trans-141124.8-175.2169.1-96.9000110.8I48 Q61 I62 W63F46-I48 HydrophobicContact CD1-CG1 4.42Å; F46-I48 HydrophobicContact CE1-CD1 3.63Å; F46-I48 HydrophobicContact CE1-CG1 3.4Å; F46-I48 HydrophobicContact CE2-CG1 4.41Å; F46-I48 HydrophobicContact CZ-CD1 3.73Å; F46-I48 HydrophobicContact CZ-CG1 3.41Å; F46-I48 VanDerWaalsContact CZ-CG1 3.41Å; F46-Q61 HydrophobicContact CE2-CB 3.61Å; F46-Q61 HydrophobicContact CE2-CG 3.7Å; F46-Q61 HydrophobicContact CZ-CB 4.11Å; F46-Q61 HydrophobicContact CZ-CG 3.66Å; F46-I62 WeakPolarHBondContact CA-O 3.41Å; F46-W63 AromaticContact CD2-CD1 3.99Å; F46-W63 AromaticContact CD2-CD2 3.82Å; F46-W63 HydrophobicContact CD2-CD2 3.82Å; F46-W63 AromaticContact CD2-CE2 3.52Å; F46-W63 HydrophobicContact CD2-CE3 4.4Å; F46-W63 HydrophobicContact CD2-CG 4.12Å; F46-W63 HydrophobicContact CD2-CH2 4.48Å; F46-W63 AromaticContact CD2-CZ2 3.9Å; F46-W63 HydrophobicContact CD2-CZ2 3.9Å; F46-W63 AromaticContact CD2-NE1 3.61Å; F46-W63 HydrophobicContact CE2-CD2 4.46Å; F46-W63 AromaticContact CE2-CE2 3.73Å; F46-W63 AromaticContact CE2-CZ2 3.97Å; F46-W63 HydrophobicContact CE2-CZ2 3.97Å; F46-W63 AromaticContact CE2-NE1 3.55Å
47K93.1Very high86.8Confident55 Ų5576.5 Ų76.524%0.23941%0.409CS..EExtended strand (participates in β ladder)trans-122147.2175.2-61.1-82.1178.7170.70110.4L26 V30 E31 I62L26-K47 HydrophobicContact CD1-CB 4.08Å; L26-K47 HydrophobicContact CD1-CG 4.26Å; L26-K47 HydrophobicContact CD2-CB 4.18Å; L26-K47 HydrophobicContact CD2-CG 3.74Å; L26-K47 HydrophobicContact CG-CB 4.35Å; L26-K47 HydrophobicContact CG-CG 3.98Å; V30-K47 HydrophobicContact CG1-CB 4.47Å; V30-K47 HydrophobicContact CG1-CD 4.44Å; V30-K47 HydrophobicContact CG2-CB 4.06Å; E31-K47 IonicContact OE1-NZ 2.74Å; E31-K47 PolarHBondContact OE1-NZ 3.5Å; K47-I62 PolarHBondContact N-O 3.38Å; K47-I62 PolarHBondContact O-N 3.38Å
48I94.4Very high87.6Confident85 Ų8571.9 Ų71.944%0.43638%0.381SS..EExtended strand (participates in β ladder)trans-111.2129.9171.8-61.5179.9000108.7F46 K59 L60 Q61F46-I48 HydrophobicContact CD1-CG1 4.42Å; F46-I48 HydrophobicContact CE1-CD1 3.63Å; F46-I48 HydrophobicContact CE1-CG1 3.4Å; F46-I48 HydrophobicContact CE2-CG1 4.41Å; F46-I48 HydrophobicContact CZ-CD1 3.73Å; F46-I48 HydrophobicContact CZ-CG1 3.41Å; F46-I48 VanDerWaalsContact CZ-CG1 3.41Å; I48-K59 HydrophobicContact CG2-CD 3.88Å; I48-K59 HydrophobicContact CG2-CG 3.62Å; I48-L60 VanDerWaalsContact CA-O 3.29Å; I48-L60 WeakPolarHBondContact CA-O 3.35Å; I48-Q61 HydrophobicContact CG1-CG 4.48Å
49K95.4Very high88.7Confident46 Ų4668 Ų6820%0.236%0.363CS..EExtended strand (participates in β ladder)trans-131131.2169.1179.5156.4173.21620109.2Y29 V30 I51 L60Y29-K49 HydrophobicContact CD1-CD 4.1Å; Y29-K49 HydrophobicContact CE1-CB 4.48Å; Y29-K49 HydrophobicContact CE1-CD 3.74Å; Y29-K49 HydrophobicContact CE1-CG 4.36Å; Y29-K49 HydrophobicContact CE2-CD 4.39Å; Y29-K49 PolarHBondContact O-NZ 3.24Å; V30-K49 HydrophobicContact CG2-CB 4.34Å; V30-K49 HydrophobicContact CG2-CD 4.37Å; K49-I51 HydrophobicContact CG-CG2 3.98Å; K49-L60 PolarHBondContact N-O 3.32Å; K49-L60 VanDerWaalsContact N-O 3.1Å; K49-L60 WeakPolarHBondContact O-CA 3.22Å; K49-L60 WeakPolarHBondContact O-CB 3.4Å; K49-L60 PolarHBondContact O-N 3.37Å
50T96.1Very high89.6Confident60 Ų6061.9 Ų61.937%0.36833%0.332SS..EExtended strand (participates in β ladder)trans-100.8127.5173.3-55.80000108.4K57 I58T50-K57 HydrophobicContact CG2-CD 4.13Å; T50-K57 VanDerWaalsContact CG2-CE 3.5Å; T50-K57 HydrophobicContact CG2-CG 3.48Å; T50-K57 VanDerWaalsContact CG2-CG 3.48Å; T50-I58 CarbonylContact C-O 3.44Å; T50-I58 WeakPolarHBondContact CA-O 3.49Å
51I96.3Very high90.4Very high29 Ų2962.1 Ų62.115%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-121.5165.7177.669168.9000110.4Y29 K49 L53 K57 I58 L60 T167Y29-I51 WeakPolarHBondContact OH-CG2 3.21Å; K49-I51 HydrophobicContact CG-CG2 3.98Å; I51-L53 HydrophobicContact CD1-CB 4.4Å; I51-K57 CarbonylContact O-C 3.5Å; I51-K57 WeakPolarHBondContact O-CA 3.38Å; I51-I58 HydrophobicContact CG1-CB 4.23Å; I51-I58 PolarHBondContact N-O 3.09Å; I51-I58 PolarHBondContact O-N 2.87Å; I51-L60 HydrophobicContact CD1-CD1 4.11Å; I51-L60 HydrophobicContact CG1-CD1 4.38Å; I51-L60 HydrophobicContact CG2-CD1 4.44Å; I51-T167 HydrophobicContact CD1-CG2 3.96Å
52E96.3Very high91.6Very high157 Ų15760.6 Ų60.673%0.73432%0.319SS*.EExtended strand (participates in β ladder)trans-110.4125.5167.2-171.7172.8164.900108.7K56E52-K56 WeakPolarHBondContact CA-O 3.23Å
53L95.7Very high92.7Very high12 Ų1256 Ų566%0.06329%0.292CS..EExtended strand (participates in β ladder)trans-141.9126.2-179.8-174.767.9000108.9I51 G55 K56 I58 E164 T167 R168 L171I51-L53 HydrophobicContact CD1-CB 4.4Å; L53-G55 PolarHBondContact O-N 3.33Å; L53-K56 PolarHBondContact N-O 3.41Å; L53-K56 PolarHBondContact O-N 3.04Å; L53-I58 HydrophobicContact CB-CD1 3.92Å; L53-I58 HydrophobicContact CD2-CD1 4.27Å; L53-E164 HydrophobicContact CD1-CG 3.8Å; L53-T167 HydrophobicContact CD2-CG2 3.71Å; L53-R168 HydrophobicContact CD2-CB 4.01Å; L53-L171 HydrophobicContact CD2-CD2 4.47Å
54E95Very high93.5Very high104 Ų10454 Ų5449%0.48627%0.271SS..THydrogen-bonded Turntrans51.342.7-179-61.6178.4-176.700112.7K56 R168 L171 H172E54-K56 PolarHBondContact O-N 2.7Å; E54-R168 IonicContact OE1-NE 3.65Å; E54-L171 HydrophobicContact CB-CD2 4.15Å; E54-H172 IonicContact OE1-CD2 3.99Å; E54-H172 IonicContact OE1-CE1 3.58Å; E54-H172 IonicContact OE1-NE2 2.88Å; E54-H172 PolarHBondContact OE1-NE2 2.91Å; E54-H172 IonicContact OE2-CD2 3.6Å; E54-H172 IonicContact OE2-NE2 3.08Å; E54-H172 PolarHBondContact OE2-NE2 3.5Å; E54-H172 VanDerWaalsContact OE2-NE2 3.08Å
55G94.1Very high93.8Very high64 Ų6451.7 Ų51.766%0.6626%0.259SS*.THydrogen-bonded Turntrans70.68.6-179.800000115.1L53L53-G55 PolarHBondContact O-N 3.33Å
56K94.3Very high93.4Very high76 Ų7649.6 Ų49.633%0.3325%0.251SS..EExtended strand (participates in β ladder)trans-110.4135.7177.3-67.8170.4-176.4162.70110.4D7 E52 L53 E54 I58 L171D7-K56 HydrophobicContact CB-CB 4.22Å; D7-K56 HydrophobicContact CB-CG 4.46Å; D7-K56 WeakPolarHBondContact OD2-CA 3.34Å; E52-K56 WeakPolarHBondContact CA-O 3.23Å; L53-K56 PolarHBondContact N-O 3.41Å; L53-K56 PolarHBondContact O-N 3.04Å; E54-K56 PolarHBondContact O-N 2.7Å; K56-I58 HydrophobicContact CB-CG1 4.25Å; K56-I58 PolarHBondContact O-N 2.79Å; K56-L171 HydrophobicContact CD-CD1 3.74Å; K56-L171 HydrophobicContact CD-CD2 4.25Å
57K96.1Very high92.1Very high100 Ų10046.8 Ų46.844%0.43524%0.242SC..EExtended strand (participates in β ladder)trans-84.3108.8172.1-173.1164.3175.7-178.60109.6S5 Y6 D7 A8 T50 I51S5-K57 WeakPolarHBondContact O-CD 3.33Å; S5-K57 WeakPolarHBondContact O-CE 3.38Å; S5-K57 PolarHBondContact O-NZ 2.8Å; Y6-K57 CarbonylContact C-O 3.54Å; Y6-K57 WeakPolarHBondContact CA-O 3.49Å; Y6-K57 WeakPolarHBondContact CB-O 3.49Å; D7-K57 PolarHBondContact N-O 2.91Å; D7-K57 PolarHBondContact OD2-N 2.65Å; A8-K57 PolarHBondContact N-O 3.45Å; T50-K57 HydrophobicContact CG2-CD 4.13Å; T50-K57 VanDerWaalsContact CG2-CE 3.5Å; T50-K57 HydrophobicContact CG2-CG 3.48Å; T50-K57 VanDerWaalsContact CG2-CG 3.48Å; I51-K57 CarbonylContact O-C 3.5Å; I51-K57 WeakPolarHBondContact O-CA 3.38Å
58I97Very high90.4Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-109.4123.8-173.5-54.7178.6000109.3A8 F10 T50 I51 L53 K56 L60 T167 L171A8-I58 HydrophobicContact CB-CG1 4.37Å; A8-I58 HydrophobicContact CB-CG2 4.38Å; F10-I58 HydrophobicContact CD2-CG2 3.49Å; F10-I58 VanDerWaalsContact CD2-CG2 3.49Å; F10-I58 HydrophobicContact CE2-CD1 3.88Å; F10-I58 HydrophobicContact CE2-CG2 3.69Å; F10-I58 HydrophobicContact CG-CG2 3.97Å; F10-I58 HydrophobicContact CZ-CD1 4.4Å; F10-I58 HydrophobicContact CZ-CG2 4.33Å; T50-I58 CarbonylContact C-O 3.44Å; T50-I58 WeakPolarHBondContact CA-O 3.49Å; I51-I58 HydrophobicContact CG1-CB 4.23Å; I51-I58 PolarHBondContact N-O 3.09Å; I51-I58 PolarHBondContact O-N 2.87Å; L53-I58 HydrophobicContact CB-CD1 3.92Å; L53-I58 HydrophobicContact CD2-CD1 4.27Å; K56-I58 HydrophobicContact CB-CG1 4.25Å; K56-I58 PolarHBondContact O-N 2.79Å; I58-L60 HydrophobicContact CG2-CD2 3.81Å; I58-T167 HydrophobicContact CD1-CG2 3.88Å; I58-T167 HydrophobicContact CG2-CG2 4.21Å; I58-L171 HydrophobicContact CD1-CD1 4.25Å; I58-L171 HydrophobicContact CD1-CD2 4.14Å
59K96.8Very high88.3Confident48 Ų4846.5 Ų46.521%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-90.1115171.4-174.6174.8-66.6-174.90109.3Y6 A8 L9 F10 I48Y6-K59 HydrophobicContact CD1-CB 4.31Å; Y6-K59 HydrophobicContact CD1-CD 4.23Å; Y6-K59 VanDerWaalsContact CD1-CE 3.48Å; Y6-K59 HydrophobicContact CD2-CB 4.2Å; Y6-K59 HydrophobicContact CE1-CD 4.17Å; Y6-K59 HydrophobicContact CG-CB 3.99Å; A8-K59 PolarHBondContact O-N 3.47Å; L9-K59 CarbonylContact C-O 3.57Å; L9-K59 WeakPolarHBondContact CA-O 3.34Å; L9-K59 HydrophobicContact CD1-CB 3.82Å; L9-K59 HydrophobicContact CD1-CD 3.81Å; L9-K59 HydrophobicContact CD1-CG 3.72Å; L9-K59 WeakPolarHBondContact CD1-O 2.79Å; F10-K59 PolarHBondContact N-O 2.77Å; I48-K59 HydrophobicContact CG2-CD 3.88Å; I48-K59 HydrophobicContact CG2-CG 3.62Å
60L97.3Very high86Confident0 Ų054 Ų540%027%0.267CS..EExtended strand (participates in β ladder)trans-90.5131.3174.1-55.7-179.7000109.8F10 I12 Y29 I48 K49 I51 I58 I62 T167F10-L60 HydrophobicContact CB-CD2 3.98Å; F10-L60 HydrophobicContact CD2-CD2 4.15Å; I12-L60 HydrophobicContact CD1-CD1 4.44Å; I12-L60 HydrophobicContact CD1-CD2 4.07Å; Y29-L60 HydrophobicContact CE1-CD1 4.1Å; Y29-L60 WeakPolarHBondContact OH-CD1 3.44Å; I48-L60 VanDerWaalsContact CA-O 3.29Å; I48-L60 WeakPolarHBondContact CA-O 3.35Å; K49-L60 PolarHBondContact N-O 3.32Å; K49-L60 VanDerWaalsContact N-O 3.1Å; K49-L60 WeakPolarHBondContact O-CA 3.22Å; K49-L60 WeakPolarHBondContact O-CB 3.4Å; K49-L60 PolarHBondContact O-N 3.37Å; I51-L60 HydrophobicContact CD1-CD1 4.11Å; I51-L60 HydrophobicContact CG1-CD1 4.38Å; I51-L60 HydrophobicContact CG2-CD1 4.44Å; I58-L60 HydrophobicContact CG2-CD2 3.81Å; L60-I62 HydrophobicContact CB-CD1 4.32Å; L60-I62 HydrophobicContact CB-CG1 4.07Å; L60-T167 HydrophobicContact CD2-CG2 3.92Å
61Q96.2Very high83.9Confident48 Ų4859 Ų5922%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-109.5100.8171.3-83-165.6-5.300107.4L9 F10 K11 I12 F46 I48L9-Q61 HydrophobicContact CD1-CG 3.75Å; F10-Q61 WeakPolarHBondContact O-CB 3.39Å; F10-Q61 PolarHBondContact O-N 3.42Å; K11-Q61 CarbonylContact C-O 3.6Å; K11-Q61 WeakPolarHBondContact CA-O 3.38Å; I12-Q61 PolarHBondContact N-O 3Å; F46-Q61 HydrophobicContact CE2-CB 3.61Å; F46-Q61 HydrophobicContact CE2-CG 3.7Å; F46-Q61 HydrophobicContact CZ-CB 4.11Å; F46-Q61 HydrophobicContact CZ-CG 3.66Å; I48-Q61 HydrophobicContact CG1-CG 4.48Å
62I96.1Very high81.9Confident0 Ų063.2 Ų63.20%030%0.303CS..EExtended strand (participates in β ladder)trans-106.3119.8-171.6-47.1167000108.8I12 L14 L26 Y29 V30 F46 K47 L60 F163I12-I62 HydrophobicContact CB-CG2 4.48Å; I12-I62 HydrophobicContact CG2-CG2 4.38Å; I12-I62 WeakPolarHBondContact O-CA 3.23Å; L14-I62 HydrophobicContact CD1-CG2 4.01Å; L14-I62 HydrophobicContact CD2-CG2 4.09Å; L14-I62 HydrophobicContact CG-CG2 3.92Å; L26-I62 HydrophobicContact CD1-CB 3.75Å; L26-I62 HydrophobicContact CD1-CD1 3.77Å; L26-I62 HydrophobicContact CD1-CG1 4.37Å; L26-I62 HydrophobicContact CD1-CG2 3.61Å; L26-I62 HydrophobicContact CD2-CG2 4.48Å; Y29-I62 HydrophobicContact CD1-CD1 3.81Å; Y29-I62 HydrophobicContact CE1-CD1 3.8Å; V30-I62 HydrophobicContact CG2-CD1 4.47Å; F46-I62 WeakPolarHBondContact CA-O 3.41Å; K47-I62 PolarHBondContact N-O 3.38Å; K47-I62 PolarHBondContact O-N 3.38Å; L60-I62 HydrophobicContact CB-CD1 4.32Å; L60-I62 HydrophobicContact CB-CG1 4.07Å; I62-F163 HydrophobicContact CD1-CD1 4.14Å; I62-F163 HydrophobicContact CD1-CE1 3.83Å; I62-F163 HydrophobicContact CG1-CE1 4.48Å; I62-F163 HydrophobicContact CG2-CE1 4.07Å
63W93.8Very high79.9Confident62 Ų6260.4 Ų60.424%0.23530%0.296CS..EExtended strand (participates in β ladder)trans-104.2111.7-176.1-64.974.9000108.9I12 L13 L14 I44 F46 Y78I12-W63 PolarHBondContact O-N 2.84Å; L13-W63 HydrophobicContact CD1-CB 3.66Å; L14-W63 PolarHBondContact N-O 3.24Å; I44-W63 HydrophobicContact CG2-CE3 3.83Å; F46-W63 AromaticContact CD2-CD1 3.99Å; F46-W63 AromaticContact CD2-CD2 3.82Å; F46-W63 HydrophobicContact CD2-CD2 3.82Å; F46-W63 AromaticContact CD2-CE2 3.52Å; F46-W63 HydrophobicContact CD2-CE3 4.4Å; F46-W63 HydrophobicContact CD2-CG 4.12Å; F46-W63 HydrophobicContact CD2-CH2 4.48Å; F46-W63 AromaticContact CD2-CZ2 3.9Å; F46-W63 HydrophobicContact CD2-CZ2 3.9Å; F46-W63 AromaticContact CD2-NE1 3.61Å; F46-W63 HydrophobicContact CE2-CD2 4.46Å; F46-W63 AromaticContact CE2-CE2 3.73Å; F46-W63 AromaticContact CE2-CZ2 3.97Å; F46-W63 HydrophobicContact CE2-CZ2 3.97Å; F46-W63 AromaticContact CE2-NE1 3.55Å; W63-Y78 HydrophobicContact CE3-CD1 4.24Å; W63-Y78 HydrophobicContact CZ3-CD1 4.3Å; W63-Y78 HydrophobicContact CZ3-CE1 4.28Å
64D91.1Very high78.3Confident0 Ų060.8 Ų60.80%030%0.298CS..EExtended strand (participates in β ladder)trans-94.7118.4177.2179.139.7000110.4L14 K22 T23 L26 I44 D45L14-D64 HydrophobicContact CD1-CB 4.34Å; K22-D64 WeakPolarHBondContact CB-OD1 3.21Å; T23-D64 VanDerWaalsContact CA-OD2 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.33Å; T23-D64 VanDerWaalsContact CB-OD2 3.22Å; T23-D64 WeakPolarHBondContact CB-OD2 3.46Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.43Å; T23-D64 PolarHBondContact N-OD1 3.43Å; T23-D64 PolarHBondContact OG1-OD2 3.01Å; L26-D64 HydrophobicContact CD2-CB 3.6Å; I44-D64 VanDerWaalsContact CA-O 3.29Å; I44-D64 WeakPolarHBondContact CA-O 3.33Å; I44-D64 WeakPolarHBondContact CG2-O 3.48Å; D45-D64 HydrophobicContact CB-CB 4.42Å; D45-D64 PolarHBondContact N-O 3.37Å; D45-D64 PolarHBondContact O-N 2.81Å
65T84.7Confident76.9Confident1 Ų158.4 Ų58.41%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-96.7141.2-174.764.70000111.9L13 L14 K22 I44 G67 I74L13-T65 HydrophobicContact CD1-CG2 3.53Å; L13-T65 HydrophobicContact CG-CG2 4.33Å; L14-T65 WeakPolarHBondContact O-CG2 3.25Å; L14-T65 PolarHBondContact O-OG1 2.73Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; I44-T65 HydrophobicContact CD1-CG2 4Å; I44-T65 HydrophobicContact CG1-CG2 4.37Å; T65-G67 PolarHBondContact O-N 2.93Å; T65-I74 HydrophobicContact CG2-CD1 3.87Å; T65-I74 HydrophobicContact CG2-CG1 4.33Å; T65-I74 WeakPolarHBondContact OG1-CD1 3.29Å
66A74.7Confident76Confident24 Ų2458.2 Ų58.220%0.19828%0.28CS..PPolyproline II helixtrans-58.8128166.800000110T41 G43 Q68T41-A66 WeakPolarHBondContact O-CB 3.41Å; G43-A66 WeakPolarHBondContact O-CB 3.36Å; G43-A66 PolarHBondContact O-N 3.31Å; A66-Q68 PolarHBondContact O-N 3Å
67G59.3Low75.4Confident11 Ų1157.2 Ų57.211%0.11328%0.282CS..  trans-83.63.4174.600000114.2S18 T65 E69S18-G67 WeakPolarHBondContact CB-O 3.38Å; S18-G67 PolarHBondContact N-O 3.09Å; S18-G67 VanDerWaalsContact N-O 3.07Å; T65-G67 PolarHBondContact O-N 2.93Å; G67-E69 PolarHBondContact O-N 3.41Å
68Q57.7Low74.8Confident44 Ų4456.1 Ų56.121%0.20628%0.276CS..  trans-78.1111.5-172.9-75.7-85.8-1200111.3S18 S40 A66 R70 F71S18-Q68 PolarHBondContact OG-NE2 3.22Å; S40-Q68 PolarHBondContact OG-NE2 3.47Å; S40-Q68 VanDerWaalsContact OG-NE2 3.13Å; A66-Q68 PolarHBondContact O-N 3Å; Q68-R70 PolarHBondContact O-N 3.36Å; Q68-R70 VanDerWaalsContact O-N 3.16Å; Q68-F71 PolarHBondContact O-N 2.96Å
69E49.4Very low74.4Confident91 Ų9156.2 Ų56.243%0.42528%0.276SS..G310 helixtrans-44.6-34.5174.559.1-69.816000114.2G67 F71 H72G67-E69 PolarHBondContact O-N 3.41Å; E69-F71 PolarHBondContact O-N 2.72Å; E69-H72 VanDerWaalsContact CB-CE1 3.46Å; E69-H72 WeakPolarHBondContact CB-CE1 3.46Å; E69-H72 WeakPolarHBondContact O-CA 3.44Å; E69-H72 WeakPolarHBondContact O-CB 3.37Å; E69-H72 PolarHBondContact O-CD2 2.87Å; E69-H72 PolarHBondContact O-CE1 3.22Å; E69-H72 VanDerWaalsContact O-CE1 3.31Å; E69-H72 PolarHBondContact O-N 3.47Å; E69-H72 PolarHBondContact O-ND1 3.31Å; E69-H72 VanDerWaalsContact O-ND1 3.16Å; E69-H72 PolarHBondContact O-NE2 2.88Å; E69-H72 VanDerWaalsContact O-NE2 3.14Å
70R47.5Very low74Confident203 Ų20362.3 Ų62.377%0.76630%0.298SS*.G310 helixtrans-61.5-15-179.6-72.4-174-69.9162.1-1115.1Q68Q68-R70 PolarHBondContact O-N 3.36Å; Q68-R70 VanDerWaalsContact O-N 3.16Å
71F52.1Low73.6Confident164 Ų16465 Ų6572%0.71933%0.326SS*.G310 helixtrans-108.2-2.4174-62.2-72000114.6Q68 E69 T73Q68-F71 PolarHBondContact O-N 2.96Å; E69-F71 PolarHBondContact O-N 2.72Å; F71-T73 PolarHBondContact O-N 2.66Å
72H53.7Low73.5Confident118 Ų11863.2 Ų63.255%0.54632%0.319SS..  trans30.5-7.4172-88-42.7000123.1E69 R106E69-H72 VanDerWaalsContact CB-CE1 3.46Å; E69-H72 WeakPolarHBondContact CB-CE1 3.46Å; E69-H72 WeakPolarHBondContact O-CA 3.44Å; E69-H72 WeakPolarHBondContact O-CB 3.37Å; E69-H72 PolarHBondContact O-CD2 2.87Å; E69-H72 PolarHBondContact O-CE1 3.22Å; E69-H72 VanDerWaalsContact O-CE1 3.31Å; E69-H72 PolarHBondContact O-N 3.47Å; E69-H72 PolarHBondContact O-ND1 3.31Å; E69-H72 VanDerWaalsContact O-ND1 3.16Å; E69-H72 PolarHBondContact O-NE2 2.88Å; E69-H72 VanDerWaalsContact O-NE2 3.14Å; H72-R106 PolarHBondContact O-NH1 3.01Å
73T54.8Low73.5Confident98 Ų9866 Ų6660%0.60133%0.332SS*.  trans-135.392.8-170.9-49.40000107.7F71 T75F71-T73 PolarHBondContact O-N 2.66Å; T73-T75 HydrophobicContact CG2-CG2 4.1Å; T73-T75 PolarHBondContact O-N 2.67Å
74I62.2Low73.7Confident20 Ų2063 Ų6310%0.10332%0.321CS..  trans-56.3105.5145.7-59.7-178.5000104.3L13 I15 T65 Y78 Y79 W103L13-I74 HydrophobicContact CD2-CG2 4.44Å; I15-I74 HydrophobicContact CB-CD1 4.21Å; I15-I74 HydrophobicContact CG2-CD1 3.56Å; T65-I74 HydrophobicContact CG2-CD1 3.87Å; T65-I74 HydrophobicContact CG2-CG1 4.33Å; T65-I74 WeakPolarHBondContact OG1-CD1 3.29Å; I74-Y78 HydrophobicContact CG2-CD2 3.97Å; I74-Y78 HydrophobicContact CG2-CG 4.3Å; I74-Y79 HydrophobicContact CB-CE2 3.84Å; I74-Y79 HydrophobicContact CG2-CD2 3.77Å; I74-Y79 HydrophobicContact CG2-CE2 3.43Å; I74-Y79 VanDerWaalsContact CG2-CE2 3.43Å; I74-W103 HydrophobicContact CD1-CH2 4.11Å; I74-W103 HydrophobicContact CD1-CZ3 3.56Å; I74-W103 HydrophobicContact CG1-CZ3 4.25Å
75T66.7Low74Confident55 Ų5563.1 Ų63.134%0.33732%0.322SS..  trans-62.8150-177.648.50000109.6T73 S77 Y78T73-T75 HydrophobicContact CG2-CG2 4.1Å; T73-T75 PolarHBondContact O-N 2.67Å; T75-S77 WeakPolarHBondContact CB-OG 3.45Å; T75-S77 PolarHBondContact O-N 2.94Å; T75-S77 PolarHBondContact OG1-OG 2.77Å; T75-Y78 PolarHBondContact O-N 2.9Å; T75-Y78 WeakPolarHBondContact OG1-CD2 3.38Å; T75-Y78 WeakPolarHBondContact OG1-CE2 3.41Å
76S75.1Confident74.6Confident60 Ų6063.2 Ų63.242%0.4232%0.322SS..Hα-helixtrans-49.5-25.7174.357.10000112.7Y78 Y79 R80S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 3.48Å; S76-Y79 PolarHBondContact O-N 2.84Å; S76-R80 PolarHBondContact O-N 2.63Å
77S81.1Confident75.7Confident55 Ų5562.2 Ų62.239%0.38531%0.314SS..Hα-helixtrans-59.4-33174.461.40000114.5T75T75-S77 WeakPolarHBondContact CB-OG 3.45Å; T75-S77 PolarHBondContact O-N 2.94Å; T75-S77 PolarHBondContact OG1-OG 2.77Å
78Y83.7Confident77.5Confident76 Ų7661.8 Ų61.830%0.29831%0.309SS..Hα-helixtrans-79.9-38.4179.5-61.9-63000111.9K11 I44 W63 I74 T75 S76 R80K11-Y78 WeakPolarHBondContact CE-O 3.09Å; K11-Y78 PolarHBondContact NZ-O 3.24Å; I44-Y78 HydrophobicContact CD1-CD1 3.51Å; I44-Y78 HydrophobicContact CD1-CD2 3.49Å; I44-Y78 VanDerWaalsContact CD1-CD2 3.49Å; I44-Y78 HydrophobicContact CD1-CE1 3.35Å; I44-Y78 HydrophobicContact CD1-CE2 3.29Å; I44-Y78 HydrophobicContact CD1-CG 3.59Å; I44-Y78 HydrophobicContact CG1-CE1 4.49Å; I44-Y78 HydrophobicContact CG1-CE2 4.48Å; W63-Y78 HydrophobicContact CE3-CD1 4.24Å; W63-Y78 HydrophobicContact CZ3-CD1 4.3Å; W63-Y78 HydrophobicContact CZ3-CE1 4.28Å; I74-Y78 HydrophobicContact CG2-CD2 3.97Å; I74-Y78 HydrophobicContact CG2-CG 4.3Å; T75-Y78 PolarHBondContact O-N 2.9Å; T75-Y78 WeakPolarHBondContact OG1-CD2 3.38Å; T75-Y78 WeakPolarHBondContact OG1-CE2 3.41Å; S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 3.48Å; Y78-R80 VanDerWaalsContact C-N 3.25Å; Y78-R80 PolarHBondContact O-N 3.1Å
79Y89Confident79.4Confident3 Ų359.7 Ų59.71%0.01230%0.299CS..Hα-helixtrans-63.4-33.2171.1-74.8-86.4000112L13 I74 S76 G81 A82 I85 T107 L110 A111L13-Y79 HydrophobicContact CD2-CD1 4.04Å; L13-Y79 HydrophobicContact CD2-CD2 4.47Å; L13-Y79 HydrophobicContact CD2-CE1 4.07Å; L13-Y79 HydrophobicContact CD2-CE2 4.49Å; L13-Y79 HydrophobicContact CD2-CG 4.26Å; I74-Y79 HydrophobicContact CB-CE2 3.84Å; I74-Y79 HydrophobicContact CG2-CD2 3.77Å; I74-Y79 HydrophobicContact CG2-CE2 3.43Å; I74-Y79 VanDerWaalsContact CG2-CE2 3.43Å; S76-Y79 PolarHBondContact O-N 2.84Å; Y79-G81 PolarHBondContact O-N 3.13Å; Y79-G81 VanDerWaalsContact O-N 3.16Å; Y79-A82 VanDerWaalsContact O-CB 3.27Å; Y79-A82 WeakPolarHBondContact O-CB 3.37Å; Y79-A82 PolarHBondContact O-N 2.63Å; Y79-I85 HydrophobicContact CD1-CD1 3.87Å; Y79-I85 HydrophobicContact CE1-CD1 3.93Å; Y79-T107 HydrophobicContact CE1-CG2 4.45Å; Y79-L110 WeakPolarHBondContact CB-O 3.37Å; Y79-L110 HydrophobicContact CD1-CB 4.2Å; Y79-L110 HydrophobicContact CD2-CB 3.72Å; Y79-L110 HydrophobicContact CD2-CD1 3.69Å; Y79-L110 HydrophobicContact CD2-CG 4.37Å; Y79-L110 HydrophobicContact CE2-CB 4.22Å; Y79-L110 HydrophobicContact CE2-CD1 3.59Å; Y79-L110 HydrophobicContact CG-CB 3.69Å; Y79-A111 HydrophobicContact CD1-CB 3.92Å
80R86.9Confident81.8Confident176 Ų17655.9 Ų55.966%0.66428%0.281SS*.THydrogen-bonded Turntrans-56.2122.3178.1-172.7176.9-66.4141.40.9111.2K11 S76 Y78 A82K11-R80 PolarHBondContact NZ-O 2.6Å; S76-R80 PolarHBondContact O-N 2.63Å; Y78-R80 VanDerWaalsContact C-N 3.25Å; Y78-R80 PolarHBondContact O-N 3.1Å; R80-A82 PolarHBondContact O-N 3.13Å
81G90Very high84.2Confident57 Ų5746.2 Ų46.259%0.58825%0.245SC*.THydrogen-bonded Turntrans74.25.4179.900000114.8K11 Y79 M83K11-G81 WeakPolarHBondContact CB-O 3.26Å; Y79-G81 PolarHBondContact O-N 3.13Å; Y79-G81 VanDerWaalsContact O-N 3.16Å; G81-M83 PolarHBondContact O-N 2.85Å
82A94.2Very high86.4Confident9 Ų940 Ų407%0.07422%0.221CC..  trans-62.6131.816800000108.7Y79 R80 I85 V115Y79-A82 VanDerWaalsContact O-CB 3.27Å; Y79-A82 WeakPolarHBondContact O-CB 3.37Å; Y79-A82 PolarHBondContact O-N 2.63Å; R80-A82 PolarHBondContact O-N 3.13Å; A82-I85 HydrophobicContact CB-CG1 4.38Å; A82-V115 HydrophobicContact CB-CG2 4.31Å; A82-V115 WeakPolarHBondContact O-CG2 3.46Å
83M96.4Very high88.5Confident58 Ų5836 Ų3629%0.28621%0.206SC..SBendtrans-102.2-27.9176.6-61.1177.971.100110.9F10 K11 G81 E116 I170 S174F10-M83 HydrophobicContact CB-SD 4.28Å; F10-M83 HydrophobicContact CD1-CE 3.45Å; F10-M83 VanDerWaalsContact CD1-CE 3.45Å; F10-M83 HydrophobicContact CD1-SD 3.59Å; F10-M83 VanDerWaalsContact CD1-SD 3.59Å; F10-M83 HydrophobicContact CE1-CE 3.66Å; F10-M83 HydrophobicContact CE1-SD 4.39Å; F10-M83 HydrophobicContact CG-CE 4.4Å; F10-M83 HydrophobicContact CG-SD 4.29Å; K11-M83 PolarHBondContact O-N 3.24Å; G81-M83 PolarHBondContact O-N 2.85Å; M83-E116 PolarHBondContact O-N 3.35Å; M83-I170 HydrophobicContact CB-CD1 4.3Å; M83-I170 HydrophobicContact CB-CG1 4.46Å; M83-I170 HydrophobicContact CB-CG2 3.78Å; M83-I170 HydrophobicContact CE-CG2 3.68Å; M83-S174 WeakPolarHBondContact CE-OG 3.49Å
84G97.6Very high90.6Very high0 Ų034.9 Ų34.90%019%0.191CC..EExtended strand (participates in β ladder)trans-135.2151.217000000112.5K11 I12 L13 E116K11-G84 PolarHBondContact O-N 2.98Å; I12-G84 VanDerWaalsContact CA-O 3.3Å; I12-G84 WeakPolarHBondContact CA-O 3.25Å; L13-G84 PolarHBondContact N-O 3.21Å; G84-E116 CarbonylContact C-O 3.55Å; G84-E116 VanDerWaalsContact CA-O 3.26Å; G84-E116 WeakPolarHBondContact CA-O 3.45Å
85I96.8Very high92.3Very high3 Ų340.3 Ų40.32%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-130.8125.2175.7-64.4172.7000108L13 I15 Y79 A82 T107 A111 V115 E116 K117 L118L13-I85 HydrophobicContact CB-CG1 4.31Å; L13-I85 WeakPolarHBondContact O-CA 3.46Å; I15-I85 HydrophobicContact CD1-CG2 3.54Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; Y79-I85 HydrophobicContact CD1-CD1 3.87Å; Y79-I85 HydrophobicContact CE1-CD1 3.93Å; A82-I85 HydrophobicContact CB-CG1 4.38Å; I85-T107 HydrophobicContact CD1-CG2 3.5Å; I85-A111 HydrophobicContact CD1-CB 3.94Å; I85-V115 HydrophobicContact CD1-CG1 3.95Å; I85-V115 HydrophobicContact CD1-CG2 3.81Å; I85-V115 HydrophobicContact CG1-CG2 3.76Å; I85-E116 PolarHBondContact N-O 2.54Å; I85-K117 WeakPolarHBondContact O-CA 3.24Å; I85-L118 PolarHBondContact O-N 3.34Å
86M97.9Very high93.7Very high2 Ų238.2 Ų38.21%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-99.9118167.3-61178.571.700107.7I12 L13 L14 I15 I88 L118 I120 A162 F163 L166I12-M86 HydrophobicContact CG2-CG 4.27Å; I12-M86 HydrophobicContact CG2-SD 4.37Å; L13-M86 PolarHBondContact O-N 3.48Å; L14-M86 HydrophobicContact CD2-CB 3.75Å; L14-M86 HydrophobicContact CD2-CG 4.05Å; L14-M86 HydrophobicContact CD2-SD 3.73Å; I15-M86 PolarHBondContact N-O 2.95Å; M86-I88 HydrophobicContact CB-CD1 3.92Å; M86-I88 VanDerWaalsContact O-CD1 3.24Å; M86-I88 WeakPolarHBondContact O-CD1 3.42Å; M86-L118 WeakPolarHBondContact CA-O 3.46Å; M86-L118 HydrophobicContact CE-CD2 4.44Å; M86-I120 HydrophobicContact CE-CD1 3.91Å; M86-I120 HydrophobicContact CE-CG1 3.72Å; M86-A162 HydrophobicContact CE-CB 3.76Å; M86-F163 HydrophobicContact CE-CE2 4.45Å; M86-F163 HydrophobicContact CE-CZ 4.43Å; M86-F163 HydrophobicContact SD-CD1 3.77Å; M86-F163 HydrophobicContact SD-CE1 3.56Å; M86-F163 VanDerWaalsContact SD-CE1 3.56Å; M86-F163 HydrophobicContact SD-CE2 4.46Å; M86-F163 HydrophobicContact SD-CG 4.32Å; M86-F163 HydrophobicContact SD-CZ 3.94Å; M86-L166 HydrophobicContact CG-CD2 3.35Å; M86-L166 HydrophobicContact SD-CD2 4.13Å
87L96.9Very high94.8Very high4 Ų436.3 Ų36.32%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-98.6116174.1174.254.3000108.6I15 V100 W103 M104 L118 L119 I120I15-L87 HydrophobicContact CD1-CB 4.33Å; I15-L87 HydrophobicContact CD1-CD1 4.01Å; I15-L87 HydrophobicContact CG1-CB 4.08Å; I15-L87 HydrophobicContact CG1-CD1 3.77Å; L87-V100 HydrophobicContact CD2-CB 4.36Å; L87-V100 HydrophobicContact CD2-CG1 3.71Å; L87-W103 HydrophobicContact CD1-CB 3.43Å; L87-W103 VanDerWaalsContact CD1-CB 3.43Å; L87-W103 HydrophobicContact CD1-CD2 4.45Å; L87-W103 HydrophobicContact CD1-CG 3.67Å; L87-W103 HydrophobicContact CD2-CB 3.92Å; L87-W103 HydrophobicContact CG-CB 4.36Å; L87-M104 HydrophobicContact CD2-CG 3.59Å; L87-M104 HydrophobicContact CD2-SD 3.58Å; L87-M104 VanDerWaalsContact CD2-SD 3.58Å; L87-L118 PolarHBondContact N-O 2.87Å; L87-L119 HydrophobicContact CB-CD1 4.3Å; L87-L119 HydrophobicContact CD2-CD1 4.18Å; L87-L119 HydrophobicContact CG-CD1 3.94Å; L87-I120 PolarHBondContact O-N 3.49Å
88I98Very high95.6Very high2 Ų237.9 Ų37.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-111.2131.8-171.9-55.5103.5000110.3L14 I15 G16 V20 K22 L25 M86 I120 N122L14-I88 HydrophobicContact CB-CD1 4.04Å; L14-I88 HydrophobicContact CD2-CD1 4.35Å; I15-I88 WeakPolarHBondContact O-CD1 3.26Å; I15-I88 PolarHBondContact O-N 2.91Å; G16-I88 WeakPolarHBondContact CA-O 3.36Å; V20-I88 HydrophobicContact CB-CG2 4.15Å; V20-I88 HydrophobicContact CG2-CB 4Å; V20-I88 HydrophobicContact CG2-CG2 3.8Å; K22-I88 HydrophobicContact CD-CD1 4.37Å; K22-I88 HydrophobicContact CG-CB 4.32Å; K22-I88 HydrophobicContact CG-CD1 3.99Å; L25-I88 HydrophobicContact CD1-CG1 4.04Å; L25-I88 HydrophobicContact CD1-CG2 3.98Å; M86-I88 HydrophobicContact CB-CD1 3.92Å; M86-I88 VanDerWaalsContact O-CD1 3.24Å; M86-I88 WeakPolarHBondContact O-CD1 3.42Å; I88-I120 WeakPolarHBondContact CA-O 3.19Å; I88-I120 HydrophobicContact CB-CB 4.44Å; I88-I120 HydrophobicContact CG1-CB 3.9Å; I88-I120 HydrophobicContact CG1-CG1 4.32Å; I88-I120 HydrophobicContact CG1-CG2 4.31Å; I88-I120 HydrophobicContact CG2-CB 4.46Å; I88-I120 HydrophobicContact CG2-CG2 4.33Å; I88-N122 HydrophobicContact CG2-CB 3.79Å
89Y98.2Very high96.2Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-123.9168.2166.178.1-88.5000110.8I91 F97 V100 L119 I120 A121 N122 V132 G137 F148Y89-I91 HydrophobicContact CE2-CG2 4.17Å; Y89-F97 HydrophobicContact CD1-CD2 4.31Å; Y89-F97 HydrophobicContact CD2-CB 3.82Å; Y89-F97 HydrophobicContact CD2-CD2 4.09Å; Y89-F97 HydrophobicContact CD2-CG 4.45Å; Y89-F97 HydrophobicContact CE1-CD2 4.03Å; Y89-F97 HydrophobicContact CE2-CB 4.16Å; Y89-F97 AromaticContact CE2-CD2 3.82Å; Y89-F97 HydrophobicContact CE2-CD2 3.82Å; Y89-F97 HydrophobicContact CE2-CG 4.41Å; Y89-F97 HydrophobicContact CG-CB 4.32Å; Y89-F97 HydrophobicContact CG-CD2 4.32Å; Y89-F97 AromaticContact CZ-CD2 3.77Å; Y89-V100 HydrophobicContact CD1-CG2 4.22Å; Y89-V100 HydrophobicContact CG-CG2 4.41Å; Y89-L119 HydrophobicContact CD1-CD1 3.98Å; Y89-L119 HydrophobicContact CD1-CG 4.34Å; Y89-L119 HydrophobicContact CE1-CD1 4.31Å; Y89-L119 HydrophobicContact CE1-CD2 4.3Å; Y89-L119 HydrophobicContact CE1-CG 4.18Å; Y89-I120 WeakPolarHBondContact CD1-O 3.49Å; Y89-I120 PolarHBondContact N-O 3.26Å; Y89-A121 HydrophobicContact CD1-CB 4.37Å; Y89-A121 HydrophobicContact CE1-CB 3.53Å; Y89-A121 HydrophobicContact CE2-CB 3.94Å; Y89-A121 WeakPolarHBondContact OH-CB 3.15Å; Y89-N122 PolarHBondContact O-N 2.97Å; Y89-V132 HydrophobicContact CE2-CB 4.01Å; Y89-V132 HydrophobicContact CE2-CG1 3.8Å; Y89-V132 HydrophobicContact CE2-CG2 4.23Å; Y89-G137 WeakPolarHBondContact OH-CA 3.35Å; Y89-F148 HydrophobicContact CE1-CE2 4.17Å
90D98.2Very high96.5Very high10 Ų1036.5 Ų36.55%0.05319%0.189CC..EExtended strand (participates in β ladder)trans-104.4122.9178.8-179.7-3.8000110.5V20 T92 S93 T96 K123V20-D90 HydrophobicContact CB-CB 4.4Å; V20-D90 HydrophobicContact CG1-CB 4.28Å; D90-T92 PolarHBondContact O-N 3.15Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 PolarHBondContact OD1-N 3.45Å; D90-T92 PolarHBondContact OD1-OG1 3.4Å; D90-T92 VanDerWaalsContact OD1-OG1 3.06Å; D90-T92 PolarHBondContact OD2-OG1 3.33Å; D90-S93 PolarHBondContact O-N 3Å; D90-T96 PolarHBondContact N-OG1 3.21Å; D90-T96 PolarHBondContact O-OG1 3.46Å; D90-K123 WeakPolarHBondContact OD1-CD 3.25Å; D90-K123 WeakPolarHBondContact OD2-CD 3.18Å; D90-K123 VanDerWaalsContact OD2-CE 3.23Å; D90-K123 WeakPolarHBondContact OD2-CE 3.26Å; D90-K123 IonicContact OD2-NZ 2.67Å; D90-K123 PolarHBondContact OD2-NZ 3.2Å
91I98.7Very high97Very high0 Ų032.8 Ų32.80%018%0.179CC..THydrogen-bonded Turntrans-62.3-17.9179.364.7149.8000113.8Y89 A121 N122 K123 R130 V131 V132Y89-I91 HydrophobicContact CE2-CG2 4.17Å; I91-A121 HydrophobicContact CG2-CB 3.62Å; I91-N122 WeakPolarHBondContact CG1-O 3.08Å; I91-N122 PolarHBondContact N-O 3.29Å; I91-N122 VanDerWaalsContact N-O 3.13Å; I91-K123 WeakPolarHBondContact CD1-O 3.39Å; I91-K123 HydrophobicContact CG1-CB 4.45Å; I91-K123 WeakPolarHBondContact CG1-O 3.33Å; I91-R130 HydrophobicContact CD1-CB 4.15Å; I91-R130 HydrophobicContact CD1-CG 4.2Å; I91-V131 PolarHBondContact O-N 2.91Å; I91-V132 PolarHBondContact O-N 3.08Å; I91-V132 VanDerWaalsContact O-N 3.15Å
92T98.5Very high97.1Very high35 Ų3533.1 Ų33.122%0.21517%0.17CC..THydrogen-bonded Turntrans-93.93.9177.978.70000112.6D90 M126 N129 V131D90-T92 PolarHBondContact O-N 3.15Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 PolarHBondContact OD1-N 3.45Å; D90-T92 PolarHBondContact OD1-OG1 3.4Å; D90-T92 VanDerWaalsContact OD1-OG1 3.06Å; D90-T92 PolarHBondContact OD2-OG1 3.33Å; T92-M126 HydrophobicContact CG2-CB 3.58Å; T92-M126 HydrophobicContact CG2-CE 4.2Å; T92-M126 HydrophobicContact CG2-CG 4.42Å; T92-M126 HydrophobicContact CG2-SD 4.13Å; T92-N129 WeakPolarHBondContact CA-O 3.34Å; T92-N129 WeakPolarHBondContact CB-O 3.21Å; T92-N129 HydrophobicContact CG2-CB 3.75Å; T92-V131 VanDerWaalsContact C-CG2 3.45Å
93S98.1Very high97.1Very high33 Ų3333.7 Ų33.723%0.23117%0.17CC..  trans-135.7102.3178.7-176.30000112.3D90 Q95 T96 F97D90-S93 PolarHBondContact O-N 3Å; S93-Q95 PolarHBondContact O-N 3.18Å; S93-T96 PolarHBondContact O-N 2.84Å; S93-T96 VanDerWaalsContact O-N 3.09Å; S93-T96 PolarHBondContact O-OG1 2.9Å; S93-T96 WeakPolarHBondContact OG-CG2 3.3Å; S93-F97 PolarHBondContact O-N 2.92Å
94R98.3Very high97Very high74 Ų7431.1 Ų31.128%0.27916%0.157SC..Hα-helixtrans-53.5-42.5176.1176.253.858.2173.58.4112.1T96 F97 D98 V131 E136R94-T96 VanDerWaalsContact C-N 3.27Å; R94-T96 PolarHBondContact O-N 3.07Å; R94-F97 VanDerWaalsContact NH1-CE1 3.31Å; R94-F97 WeakPolarHBondContact O-CA 3.46Å; R94-F97 WeakPolarHBondContact O-CB 3.44Å; R94-F97 PolarHBondContact O-N 2.8Å; R94-D98 VanDerWaalsContact CD-OD1 3.25Å; R94-D98 WeakPolarHBondContact CD-OD1 3.43Å; R94-D98 WeakPolarHBondContact CG-OD2 3.27Å; R94-D98 PolarHBondContact O-N 2.88Å; R94-V131 HydrophobicContact CB-CG2 4.11Å; R94-V131 VanDerWaalsContact N-CG2 3.32Å; R94-V131 PolarHBondContact NH2-O 3.47Å; R94-E136 IonicContact CZ-OE1 3.13Å; R94-E136 IonicContact CZ-OE2 3.99Å; R94-E136 IonicContact NH1-OE1 2.75Å; R94-E136 PolarHBondContact NH1-OE1 2.91Å; R94-E136 IonicContact NH1-OE2 3.99Å; R94-E136 IonicContact NH2-OE1 2.7Å; R94-E136 PolarHBondContact NH2-OE1 2.74Å; R94-E136 IonicContact NH2-OE2 3.04Å; R94-E136 PolarHBondContact NH2-OE2 3.01Å
95Q97.5Very high96.8Very high135 Ų13535 Ų3563%0.63118%0.178SC*.Hα-helixtrans-55.4-41.9178.9-176.5-1798.400112.4S93 F97 D98 N99S93-Q95 PolarHBondContact O-N 3.18Å; Q95-F97 VanDerWaalsContact C-N 3.28Å; Q95-F97 PolarHBondContact O-N 3.08Å; Q95-D98 PolarHBondContact O-N 3.37Å; Q95-N99 WeakPolarHBondContact O-CB 3.42Å; Q95-N99 PolarHBondContact O-N 2.79Å; Q95-N99 PolarHBondContact O-ND2 2.83Å
96T97.2Very high96.4Very high11 Ų1138.7 Ų38.77%0.06719%0.192CC..Hα-helixtrans-69.4-29.3-179.5690000112.4D17 V20 D90 S93 R94D17-T96 HydrophobicContact CB-CG2 3.87Å; V20-T96 HydrophobicContact CG1-CG2 3.73Å; D90-T96 PolarHBondContact N-OG1 3.21Å; D90-T96 PolarHBondContact O-OG1 3.46Å; S93-T96 PolarHBondContact O-N 2.84Å; S93-T96 VanDerWaalsContact O-N 3.09Å; S93-T96 PolarHBondContact O-OG1 2.9Å; S93-T96 WeakPolarHBondContact OG-CG2 3.3Å; R94-T96 VanDerWaalsContact C-N 3.27Å; R94-T96 PolarHBondContact O-N 3.07Å
97F98.6Very high96.2Very high19 Ų1938.7 Ų38.78%0.08319%0.192CC..Hα-helixtrans-73-44.5172.8173.5-97.8000111.5Y89 S93 R94 Q95 N99 V100 V132 E136 K140Y89-F97 HydrophobicContact CD1-CD2 4.31Å; Y89-F97 HydrophobicContact CD2-CB 3.82Å; Y89-F97 HydrophobicContact CD2-CD2 4.09Å; Y89-F97 HydrophobicContact CD2-CG 4.45Å; Y89-F97 HydrophobicContact CE1-CD2 4.03Å; Y89-F97 HydrophobicContact CE2-CB 4.16Å; Y89-F97 AromaticContact CE2-CD2 3.82Å; Y89-F97 HydrophobicContact CE2-CD2 3.82Å; Y89-F97 HydrophobicContact CE2-CG 4.41Å; Y89-F97 HydrophobicContact CG-CB 4.32Å; Y89-F97 HydrophobicContact CG-CD2 4.32Å; Y89-F97 AromaticContact CZ-CD2 3.77Å; S93-F97 PolarHBondContact O-N 2.92Å; R94-F97 VanDerWaalsContact NH1-CE1 3.31Å; R94-F97 WeakPolarHBondContact O-CA 3.46Å; R94-F97 WeakPolarHBondContact O-CB 3.44Å; R94-F97 PolarHBondContact O-N 2.8Å; Q95-F97 VanDerWaalsContact C-N 3.28Å; Q95-F97 PolarHBondContact O-N 3.08Å; F97-N99 PolarHBondContact O-N 2.8Å; F97-V100 WeakPolarHBondContact O-CB 3.46Å; F97-V100 WeakPolarHBondContact O-CG2 3.14Å; F97-V100 PolarHBondContact O-N 3.31Å; F97-V132 HydrophobicContact CB-CG1 4.27Å; F97-V132 HydrophobicContact CB-CG2 3.74Å; F97-V132 HydrophobicContact CD1-CG1 4.25Å; F97-V132 HydrophobicContact CD2-CG1 3.7Å; F97-V132 HydrophobicContact CE2-CG1 4.04Å; F97-V132 HydrophobicContact CG-CG1 3.8Å; F97-V132 HydrophobicContact CG-CG2 4.12Å; F97-V132 HydrophobicContact CZ-CG1 4.41Å; F97-E136 HydrophobicContact CE1-CB 4.49Å; F97-E136 HydrophobicContact CZ-CB 4.01Å; F97-K140 HydrophobicContact CE2-CB 3.83Å; F97-K140 HydrophobicContact CE2-CG 4.04Å; F97-K140 HydrophobicContact CZ-CB 3.83Å; F97-K140 HydrophobicContact CZ-CG 4.07Å
98D97.6Very high95.9Very high88 Ų8842.8 Ų42.847%0.47121%0.21SC..Hα-helixtrans-61.8-36.4178-60-21.6000111R94 Q95 V100 Q101R94-D98 VanDerWaalsContact CD-OD1 3.25Å; R94-D98 WeakPolarHBondContact CD-OD1 3.43Å; R94-D98 WeakPolarHBondContact CG-OD2 3.27Å; R94-D98 PolarHBondContact O-N 2.88Å; Q95-D98 PolarHBondContact O-N 3.37Å; D98-V100 PolarHBondContact O-N 3.25Å; D98-Q101 PolarHBondContact O-N 2.9Å
99N95.9Very high95.6Very high50 Ų5047.3 Ų47.327%0.26724%0.242SC..THydrogen-bonded Turntrans-67.9-12.4175.9-76.7-21.4000114.6D17 Q95 F97 Q101 T102 W103D17-N99 PolarHBondContact OD2-ND2 2.88Å; Q95-N99 WeakPolarHBondContact O-CB 3.42Å; Q95-N99 PolarHBondContact O-N 2.79Å; Q95-N99 PolarHBondContact O-ND2 2.83Å; F97-N99 PolarHBondContact O-N 2.8Å; N99-Q101 PolarHBondContact O-N 2.77Å; N99-T102 WeakPolarHBondContact O-CB 3.29Å; N99-T102 PolarHBondContact O-N 2.8Å; N99-W103 PolarHBondContact O-N 2.74Å; N99-W103 VanDerWaalsContact O-N 3.1Å
100V96.1Very high95.2Very high1 Ų150.4 Ų50.41%0.00626%0.258CS..Hα-helixtrans-52.6-39.8174.1166.80000110.7L87 Y89 F97 D98 T102 W103 M104 L119 K140 Y144L87-V100 HydrophobicContact CD2-CB 4.36Å; L87-V100 HydrophobicContact CD2-CG1 3.71Å; Y89-V100 HydrophobicContact CD1-CG2 4.22Å; Y89-V100 HydrophobicContact CG-CG2 4.41Å; F97-V100 WeakPolarHBondContact O-CB 3.46Å; F97-V100 WeakPolarHBondContact O-CG2 3.14Å; F97-V100 PolarHBondContact O-N 3.31Å; D98-V100 PolarHBondContact O-N 3.25Å; V100-T102 PolarHBondContact O-N 2.92Å; V100-W103 PolarHBondContact O-N 3.06Å; V100-M104 HydrophobicContact CG1-CG 4.21Å; V100-M104 WeakPolarHBondContact O-CB 3.19Å; V100-M104 WeakPolarHBondContact O-CG 3.5Å; V100-M104 PolarHBondContact O-N 2.99Å; V100-L119 HydrophobicContact CG1-CD1 3.91Å; V100-L119 HydrophobicContact CG2-CD1 4.03Å; V100-K140 HydrophobicContact CG1-CG 4.07Å; V100-Y144 HydrophobicContact CG1-CE2 4.37Å
101Q95.6Very high94.8Very high98 Ų9850.7 Ų50.746%0.45826%0.261SS..Hα-helixtrans-60.5-44.4177.9-179.9172.234.200112.1D98 N99 W103 M104 N105 Y144D98-Q101 PolarHBondContact O-N 2.9Å; N99-Q101 PolarHBondContact O-N 2.77Å; Q101-W103 VanDerWaalsContact C-N 3.34Å; Q101-W103 PolarHBondContact O-N 3.31Å; Q101-M104 PolarHBondContact O-N 3.05Å; Q101-N105 WeakPolarHBondContact O-CB 3.39Å; Q101-N105 PolarHBondContact O-N 2.75Å; Q101-N105 PolarHBondContact O-ND2 3.33Å; Q101-Y144 WeakPolarHBondContact CA-OH 3.38Å; Q101-Y144 WeakPolarHBondContact CG-OH 3.46Å
102T93.5Very high94.4Very high63 Ų6353.7 Ų53.739%0.38728%0.282SS..Hα-helixtrans-61.8-43.2177.1-60.40000111.3N99 V100 R106N99-T102 WeakPolarHBondContact O-CB 3.29Å; N99-T102 PolarHBondContact O-N 2.8Å; V100-T102 PolarHBondContact O-N 2.92Å; T102-R106 WeakPolarHBondContact O-CG 3.42Å; T102-R106 PolarHBondContact O-N 2.96Å; T102-R106 VanDerWaalsContact O-N 3.13Å
103W93.3Very high93.9Very high22 Ų2258.8 Ų58.88%0.08331%0.308CS..Hα-helixtrans-65.6-39.7176.8-72.9110000112.9I15 G16 D17 I74 L87 N99 V100 Q101 R106 T107I15-W103 HydrophobicContact CB-CE3 4.06Å; I15-W103 HydrophobicContact CB-CZ3 4.24Å; I15-W103 HydrophobicContact CD1-CB 4.33Å; I15-W103 HydrophobicContact CD1-CE3 4.21Å; G16-W103 VanDerWaalsContact C-CZ2 3.41Å; G16-W103 WeakPolarHBondContact O-CZ2 3.16Å; D17-W103 PolarHBondContact OD1-NE1 2.98Å; I74-W103 HydrophobicContact CD1-CH2 4.11Å; I74-W103 HydrophobicContact CD1-CZ3 3.56Å; I74-W103 HydrophobicContact CG1-CZ3 4.25Å; L87-W103 HydrophobicContact CD1-CB 3.43Å; L87-W103 VanDerWaalsContact CD1-CB 3.43Å; L87-W103 HydrophobicContact CD1-CD2 4.45Å; L87-W103 HydrophobicContact CD1-CG 3.67Å; L87-W103 HydrophobicContact CD2-CB 3.92Å; L87-W103 HydrophobicContact CG-CB 4.36Å; N99-W103 PolarHBondContact O-N 2.74Å; N99-W103 VanDerWaalsContact O-N 3.1Å; V100-W103 PolarHBondContact O-N 3.06Å; Q101-W103 VanDerWaalsContact C-N 3.34Å; Q101-W103 PolarHBondContact O-N 3.31Å; W103-R106 PolarHBondContact O-N 3.07Å; W103-T107 WeakPolarHBondContact O-CB 3.19Å; W103-T107 PolarHBondContact O-N 2.92Å; W103-T107 PolarHBondContact O-OG1 3.42Å
104M94.4Very high93.5Very high3 Ų362 Ų622%0.01532%0.32CS..Hα-helixtrans-66.5-45176.9-74.8-57.1-70.900111.8L87 V100 Q101 R106 T107 F108 K117 Y144 I146L87-M104 HydrophobicContact CD2-CG 3.59Å; L87-M104 HydrophobicContact CD2-SD 3.58Å; L87-M104 VanDerWaalsContact CD2-SD 3.58Å; V100-M104 HydrophobicContact CG1-CG 4.21Å; V100-M104 WeakPolarHBondContact O-CB 3.19Å; V100-M104 WeakPolarHBondContact O-CG 3.5Å; V100-M104 PolarHBondContact O-N 2.99Å; Q101-M104 PolarHBondContact O-N 3.05Å; M104-R106 VanDerWaalsContact C-N 3.29Å; M104-R106 PolarHBondContact O-N 2.78Å; M104-T107 WeakPolarHBondContact O-CA 3.47Å; M104-T107 WeakPolarHBondContact O-CB 3.26Å; M104-T107 PolarHBondContact O-N 3.01Å; M104-F108 HydrophobicContact CB-CE2 4.23Å; M104-F108 HydrophobicContact CE-CE1 4.39Å; M104-F108 HydrophobicContact CE-CE2 3.84Å; M104-F108 HydrophobicContact CE-CZ 3.61Å; M104-F108 WeakPolarHBondContact O-CD2 3.33Å; M104-F108 PolarHBondContact O-N 3.36Å; M104-K117 HydrophobicContact CE-CD 4.03Å; M104-Y144 HydrophobicContact CB-CD1 4.31Å; M104-Y144 HydrophobicContact CB-CE1 3.94Å; M104-Y144 HydrophobicContact CB-CE2 4.15Å; M104-Y144 HydrophobicContact CE-CD1 3.97Å; M104-Y144 HydrophobicContact CE-CD2 4.15Å; M104-Y144 HydrophobicContact CE-CG 3.68Å; M104-Y144 HydrophobicContact CG-CD1 4.42Å; M104-Y144 HydrophobicContact CG-CD2 3.88Å; M104-Y144 HydrophobicContact CG-CE1 4.34Å; M104-Y144 HydrophobicContact CG-CE2 3.78Å; M104-Y144 HydrophobicContact CG-CG 4.22Å; M104-I146 HydrophobicContact CE-CD1 3.98Å; M104-I146 HydrophobicContact CE-CG2 4.34Å; M104-I146 HydrophobicContact SD-CD1 4.15Å
105N92.9Very high93.4Very high81 Ų8158.7 Ų58.743%0.43331%0.308SS..Hα-helixtrans-58.5-41.8176.1-69.7-13.3000111.8Q101 S109Q101-N105 WeakPolarHBondContact O-CB 3.39Å; Q101-N105 PolarHBondContact O-N 2.75Å; Q101-N105 PolarHBondContact O-ND2 3.33Å; N105-S109 WeakPolarHBondContact O-CB 3.39Å; N105-S109 PolarHBondContact O-N 3.28Å; N105-S109 VanDerWaalsContact O-N 3.09Å; N105-S109 PolarHBondContact O-OG 2.97Å
106R89.8Confident93.4Very high82 Ų8254.1 Ų54.131%0.30929%0.286SS..Hα-helixtrans-64.1-42.8173.5-71.6172.6-179.2-162.3-5.2111.7H72 T102 W103 M104 S109 L110H72-R106 PolarHBondContact O-NH1 3.01Å; T102-R106 WeakPolarHBondContact O-CG 3.42Å; T102-R106 PolarHBondContact O-N 2.96Å; T102-R106 VanDerWaalsContact O-N 3.13Å; W103-R106 PolarHBondContact O-N 3.07Å; M104-R106 VanDerWaalsContact C-N 3.29Å; M104-R106 PolarHBondContact O-N 2.78Å; R106-S109 PolarHBondContact O-N 2.96Å; R106-S109 VanDerWaalsContact O-N 3.13Å; R106-L110 HydrophobicContact CB-CD1 4.5Å; R106-L110 WeakPolarHBondContact O-CB 3.46Å; R106-L110 VanDerWaalsContact O-CG 3.29Å; R106-L110 WeakPolarHBondContact O-CG 3.17Å; R106-L110 PolarHBondContact O-N 3.33Å
107T92.2Very high93.4Very high1 Ų155.2 Ų55.21%0.00629%0.29CS..Hα-helixtrans-60-47178.1-63.20000111.3I15 Y79 I85 W103 M104 S109 L110 A111 K117I15-T107 WeakPolarHBondContact CD1-OG1 3.46Å; Y79-T107 HydrophobicContact CE1-CG2 4.45Å; I85-T107 HydrophobicContact CD1-CG2 3.5Å; W103-T107 WeakPolarHBondContact O-CB 3.19Å; W103-T107 PolarHBondContact O-N 2.92Å; W103-T107 PolarHBondContact O-OG1 3.42Å; M104-T107 WeakPolarHBondContact O-CA 3.47Å; M104-T107 WeakPolarHBondContact O-CB 3.26Å; M104-T107 PolarHBondContact O-N 3.01Å; T107-S109 PolarHBondContact O-N 3.16Å; T107-L110 PolarHBondContact O-N 2.9Å; T107-A111 HydrophobicContact CG2-CB 4.22Å; T107-A111 WeakPolarHBondContact O-CB 3.4Å; T107-A111 PolarHBondContact O-N 2.98Å; T107-K117 HydrophobicContact CG2-CD 4.08Å
108F92.2Very high93.4Very high91 Ų9154.6 Ų54.640%0.39929%0.288SS..Hα-helixtrans-63.3-30.2175.5-67.4-52.4000113.1M104 K117 Y144M104-F108 HydrophobicContact CB-CE2 4.23Å; M104-F108 HydrophobicContact CE-CE1 4.39Å; M104-F108 HydrophobicContact CE-CE2 3.84Å; M104-F108 HydrophobicContact CE-CZ 3.61Å; M104-F108 WeakPolarHBondContact O-CD2 3.33Å; M104-F108 PolarHBondContact O-N 3.36Å; F108-K117 HydrophobicContact CE1-CD 4.48Å; F108-Y144 AromaticContact CE2-CD1 3.76Å; F108-Y144 HydrophobicContact CE2-CD1 3.76Å; F108-Y144 HydrophobicContact CE2-CE1 4.12Å; F108-Y144 HydrophobicContact CZ-CD1 4.08Å
109S91.1Very high93.5Very high97 Ų9750.4 Ų50.468%0.67827%0.265SS*.Hα-helixtrans-81.7-25.9180-56.10000113.9N105 R106 T107N105-S109 WeakPolarHBondContact O-CB 3.39Å; N105-S109 PolarHBondContact O-N 3.28Å; N105-S109 VanDerWaalsContact O-N 3.09Å; N105-S109 PolarHBondContact O-OG 2.97Å; R106-S109 PolarHBondContact O-N 2.96Å; R106-S109 VanDerWaalsContact O-N 3.13Å; T107-S109 PolarHBondContact O-N 3.16Å
110L89.3Confident93.6Very high65 Ų6548 Ų4834%0.3425%0.252SS..Hα-helixtrans-117.1-24.8-167.4-61.5176.4000114.4Y79 R106 T107Y79-L110 WeakPolarHBondContact CB-O 3.37Å; Y79-L110 HydrophobicContact CD1-CB 4.2Å; Y79-L110 HydrophobicContact CD2-CB 3.72Å; Y79-L110 HydrophobicContact CD2-CD1 3.69Å; Y79-L110 HydrophobicContact CD2-CG 4.37Å; Y79-L110 HydrophobicContact CE2-CB 4.22Å; Y79-L110 HydrophobicContact CE2-CD1 3.59Å; Y79-L110 HydrophobicContact CG-CB 3.69Å; R106-L110 HydrophobicContact CB-CD1 4.5Å; R106-L110 WeakPolarHBondContact O-CB 3.46Å; R106-L110 VanDerWaalsContact O-CG 3.29Å; R106-L110 WeakPolarHBondContact O-CG 3.17Å; R106-L110 PolarHBondContact O-N 3.33Å; T107-L110 PolarHBondContact O-N 2.9Å
111A90.5Very high93.7Very high15 Ų1548 Ų4812%0.12425%0.252CS..SBendtrans-95.3164.1-17900000111.7Y79 I85 T107 V115Y79-A111 HydrophobicContact CD1-CB 3.92Å; I85-A111 HydrophobicContact CD1-CB 3.94Å; T107-A111 HydrophobicContact CG2-CB 4.22Å; T107-A111 WeakPolarHBondContact O-CB 3.4Å; T107-A111 PolarHBondContact O-N 2.98Å; A111-V115 HydrophobicContact CB-CB 4.35Å; A111-V115 HydrophobicContact CB-CG1 3.72Å
112S89.5Confident93.9Very high63 Ų6343.5 Ų43.544%0.44123%0.231SC..  trans-66.1143.3166.7-171.20000109.9E114 V115S112-E114 PolarHBondContact O-N 3.16Å; S112-E114 WeakPolarHBondContact OG-CB 3.2Å; S112-V115 WeakPolarHBondContact O-CB 3.43Å; S112-V115 WeakPolarHBondContact O-CG1 3.43Å; S112-V115 PolarHBondContact O-N 2.96Å
113N89.3Confident94.1Very high142 Ų14242.9 Ų42.976%0.75922%0.223SC*.THydrogen-bonded Turntrans-53.2-31.5173.7-70.2-20.3000112.1V115N113-V115 PolarHBondContact O-N 2.8Å
114E90Very high94.4Very high102 Ų10243 Ų4348%0.47723%0.227SC..THydrogen-bonded Turntrans-70.9-5179.9-74.4-169.4160.300116.3S112 R177S112-E114 PolarHBondContact O-N 3.16Å; S112-E114 WeakPolarHBondContact OG-CB 3.2Å; E114-R177 VanDerWaalsContact CB-NH1 3.32Å; E114-R177 VanDerWaalsContact CD-NE 3.28Å; E114-R177 PolarHBondContact O-NH2 3.04Å; E114-R177 VanDerWaalsContact O-NH2 3.13Å; E114-R177 IonicContact OE1-CZ 2.94Å; E114-R177 IonicContact OE1-NE 2.63Å; E114-R177 PolarHBondContact OE1-NE 3.03Å; E114-R177 VanDerWaalsContact OE1-NE 3.13Å; E114-R177 IonicContact OE1-NH1 3.4Å; E114-R177 IonicContact OE2-CZ 3.48Å; E114-R177 IonicContact OE2-NE 3.9Å; E114-R177 IonicContact OE2-NH1 3.17Å; E114-R177 PolarHBondContact OE2-NH1 3.43Å; E114-R177 IonicContact OE2-NH2 3.78Å
115V94.9Very high94.5Very high4 Ų445.3 Ų45.32%0.02424%0.24CC..  trans-74.7132.7-17975.50000110.5A82 I85 A111 S112 N113 K117A82-V115 HydrophobicContact CB-CG2 4.31Å; A82-V115 WeakPolarHBondContact O-CG2 3.46Å; I85-V115 HydrophobicContact CD1-CG1 3.95Å; I85-V115 HydrophobicContact CD1-CG2 3.81Å; I85-V115 HydrophobicContact CG1-CG2 3.76Å; A111-V115 HydrophobicContact CB-CB 4.35Å; A111-V115 HydrophobicContact CB-CG1 3.72Å; S112-V115 WeakPolarHBondContact O-CB 3.43Å; S112-V115 WeakPolarHBondContact O-CG1 3.43Å; S112-V115 PolarHBondContact O-N 2.96Å; N113-V115 PolarHBondContact O-N 2.8Å; V115-K117 HydrophobicContact CG1-CD 4.4Å; V115-K117 VanDerWaalsContact CG1-CE 3.48Å; V115-K117 HydrophobicContact CG1-CG 4.11Å; V115-K117 PolarHBondContact O-NZ 3.16Å
116E97.6Very high94.7Very high38 Ų3844.2 Ų44.218%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-73.1145.9171.7-64.7-45.2113.600111.2M83 G84 I85 L166 A169 I170 N173M83-E116 PolarHBondContact O-N 3.35Å; G84-E116 CarbonylContact C-O 3.55Å; G84-E116 VanDerWaalsContact CA-O 3.26Å; G84-E116 WeakPolarHBondContact CA-O 3.45Å; I85-E116 PolarHBondContact N-O 2.54Å; E116-L166 HydrophobicContact CB-CD1 3.53Å; E116-A169 HydrophobicContact CB-CB 4.39Å; E116-A169 HydrophobicContact CG-CB 3.88Å; E116-I170 HydrophobicContact CB-CG1 3.83Å; E116-I170 HydrophobicContact CG-CB 4.34Å; E116-I170 HydrophobicContact CG-CG1 3.7Å; E116-N173 PolarHBondContact OE1-ND2 3.15Å
117K97.9Very high95Very high34 Ų3443.5 Ų43.515%0.14824%0.244CC..EExtended strand (participates in β ladder)trans-135.5137.8-174.2-59.3170.9-160.170.70109.2I85 M104 T107 F108 V115 I146I85-K117 WeakPolarHBondContact O-CA 3.24Å; M104-K117 HydrophobicContact CE-CD 4.03Å; T107-K117 HydrophobicContact CG2-CD 4.08Å; F108-K117 HydrophobicContact CE1-CD 4.48Å; V115-K117 HydrophobicContact CG1-CD 4.4Å; V115-K117 VanDerWaalsContact CG1-CE 3.48Å; V115-K117 HydrophobicContact CG1-CG 4.11Å; V115-K117 PolarHBondContact O-NZ 3.16Å; K117-I146 HydrophobicContact CB-CB 4.15Å; K117-I146 HydrophobicContact CB-CG2 3.61Å; K117-I146 HydrophobicContact CD-CG2 4.17Å; K117-I146 HydrophobicContact CG-CG2 4.49Å
118L98.5Very high95.3Very high7 Ų751.2 Ų51.24%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-136.8123.5177.5-17862.4000109.3I85 M86 L87 I120 G147 A162 L166I85-L118 PolarHBondContact O-N 3.34Å; M86-L118 WeakPolarHBondContact CA-O 3.46Å; M86-L118 HydrophobicContact CE-CD2 4.44Å; L87-L118 PolarHBondContact N-O 2.87Å; L118-I120 HydrophobicContact CD2-CD1 3.69Å; L118-I120 HydrophobicContact CG-CD1 3.68Å; L118-I120 HydrophobicContact CG-CG1 4.34Å; L118-G147 VanDerWaalsContact CD1-C 3.45Å; L118-A162 HydrophobicContact CD2-CB 4.21Å; L118-A162 VanDerWaalsContact CD2-O 3.25Å; L118-A162 WeakPolarHBondContact CD2-O 3.15Å; L118-L166 HydrophobicContact CB-CD1 4.3Å; L118-L166 HydrophobicContact CD2-CB 4.1Å
119L98.7Very high95.6Very high0 Ų050.2 Ų50.20%028%0.279CS..EExtended strand (participates in β ladder)trans-85.3128.4173.2-175.164.8000109.8L87 Y89 V100 K140 A141 I146 G147 F148 L149L87-L119 HydrophobicContact CB-CD1 4.3Å; L87-L119 HydrophobicContact CD2-CD1 4.18Å; L87-L119 HydrophobicContact CG-CD1 3.94Å; Y89-L119 HydrophobicContact CD1-CD1 3.98Å; Y89-L119 HydrophobicContact CD1-CG 4.34Å; Y89-L119 HydrophobicContact CE1-CD1 4.31Å; Y89-L119 HydrophobicContact CE1-CD2 4.3Å; Y89-L119 HydrophobicContact CE1-CG 4.18Å; V100-L119 HydrophobicContact CG1-CD1 3.91Å; V100-L119 HydrophobicContact CG2-CD1 4.03Å; L119-K140 HydrophobicContact CD2-CB 4.34Å; L119-K140 HydrophobicContact CD2-CG 4.5Å; L119-A141 HydrophobicContact CB-CB 4.23Å; L119-A141 HydrophobicContact CD2-CB 4Å; L119-I146 HydrophobicContact CB-CD1 3.88Å; L119-I146 HydrophobicContact CB-CG1 4.43Å; L119-G147 PolarHBondContact N-O 2.87Å; L119-F148 HydrophobicContact CB-CD2 4.17Å; L119-F148 HydrophobicContact CD2-CD2 4.01Å; L119-F148 HydrophobicContact CD2-CE2 4.36Å; L119-F148 HydrophobicContact CG-CD2 4.05Å; L119-F148 HydrophobicContact CG-CE2 4.45Å; L119-F148 WeakPolarHBondContact O-CA 3.38Å; L119-L149 PolarHBondContact O-N 2.67Å
120I98.8Very high95.9Very high0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-119.9121.6-178.7-57.3-62.3000110.2L25 M86 L87 I88 Y89 L118 L149 T151 A162L25-I120 HydrophobicContact CD1-CG2 4.14Å; M86-I120 HydrophobicContact CE-CD1 3.91Å; M86-I120 HydrophobicContact CE-CG1 3.72Å; L87-I120 PolarHBondContact O-N 3.49Å; I88-I120 WeakPolarHBondContact CA-O 3.19Å; I88-I120 HydrophobicContact CB-CB 4.44Å; I88-I120 HydrophobicContact CG1-CB 3.9Å; I88-I120 HydrophobicContact CG1-CG1 4.32Å; I88-I120 HydrophobicContact CG1-CG2 4.31Å; I88-I120 HydrophobicContact CG2-CB 4.46Å; I88-I120 HydrophobicContact CG2-CG2 4.33Å; Y89-I120 WeakPolarHBondContact CD1-O 3.49Å; Y89-I120 PolarHBondContact N-O 3.26Å; L118-I120 HydrophobicContact CD2-CD1 3.69Å; L118-I120 HydrophobicContact CG-CD1 3.68Å; L118-I120 HydrophobicContact CG-CG1 4.34Å; I120-L149 WeakPolarHBondContact CA-O 3.29Å; I120-L149 HydrophobicContact CD1-CB 4.06Å; I120-T151 HydrophobicContact CD1-CG2 4.35Å; I120-T151 HydrophobicContact CG2-CG2 3.72Å; I120-T151 WeakPolarHBondContact CG2-OG1 3.23Å; I120-A162 HydrophobicContact CD1-CB 3.73Å
121A98.8Very high96.4Very high0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-93.199.8167.700000109.1Y89 I91 F148 L149 E150 T151Y89-A121 HydrophobicContact CD1-CB 4.37Å; Y89-A121 HydrophobicContact CE1-CB 3.53Å; Y89-A121 HydrophobicContact CE2-CB 3.94Å; Y89-A121 WeakPolarHBondContact OH-CB 3.15Å; I91-A121 HydrophobicContact CG2-CB 3.62Å; A121-F148 HydrophobicContact CB-CE2 3.84Å; A121-F148 HydrophobicContact CB-CZ 3.93Å; A121-L149 PolarHBondContact N-O 2.91Å; A121-E150 HydrophobicContact CB-CB 4.42Å; A121-E150 HydrophobicContact CB-CG 3.98Å; A121-E150 CarbonylContact O-C 3.56Å; A121-E150 VanDerWaalsContact O-CA 3.26Å; A121-E150 WeakPolarHBondContact O-CA 3.33Å; A121-T151 PolarHBondContact O-N 2.78Å
122N98.7Very high96.7Very high3 Ų348.9 Ų48.92%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-87.2167.1-177.7-168.228000111.9V20 L25 I88 Y89 I91 T151 A153V20-N122 PolarHBondContact O-ND2 3.47Å; L25-N122 HydrophobicContact CD1-CB 4.27Å; I88-N122 HydrophobicContact CG2-CB 3.79Å; Y89-N122 PolarHBondContact O-N 2.97Å; I91-N122 WeakPolarHBondContact CG1-O 3.08Å; I91-N122 PolarHBondContact N-O 3.29Å; I91-N122 VanDerWaalsContact N-O 3.13Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 WeakPolarHBondContact CA-O 3.4Å; N122-T151 PolarHBondContact OD1-O 2.96Å; N122-T151 PolarHBondContact OD1-OG1 2.79Å; N122-A153 PolarHBondContact OD1-N 2.92Å
123K98.1Very high97.2Very high50 Ų5048 Ų4822%0.21725%0.253CS..  trans68.133-179.7-45.3-167.9-165.4166.90113.8G19 D90 I91 D125 M126 T151G19-K123 VanDerWaalsContact O-CE 3.31Å; G19-K123 WeakPolarHBondContact O-CE 3.31Å; G19-K123 PolarHBondContact O-NZ 2.9Å; D90-K123 WeakPolarHBondContact OD1-CD 3.25Å; D90-K123 WeakPolarHBondContact OD2-CD 3.18Å; D90-K123 VanDerWaalsContact OD2-CE 3.23Å; D90-K123 WeakPolarHBondContact OD2-CE 3.26Å; D90-K123 IonicContact OD2-NZ 2.67Å; D90-K123 PolarHBondContact OD2-NZ 3.2Å; I91-K123 WeakPolarHBondContact CD1-O 3.39Å; I91-K123 HydrophobicContact CG1-CB 4.45Å; I91-K123 WeakPolarHBondContact CG1-O 3.33Å; K123-D125 WeakPolarHBondContact CA-OD1 3.22Å; K123-D125 PolarHBondContact O-N 3.22Å; K123-M126 HydrophobicContact CB-CG 4.38Å; K123-M126 HydrophobicContact CB-SD 4.26Å; K123-M126 HydrophobicContact CD-SD 4.09Å; K123-M126 WeakPolarHBondContact O-CB 3.48Å; K123-M126 PolarHBondContact O-N 2.86Å; K123-T151 PolarHBondContact N-O 2.86Å
124C98.3Very high97.6Very high24 Ų2446.9 Ų46.916%0.16224%0.239CC..THydrogen-bonded Turntrans-61.7-14.9178.272.10000114.3M126 E150 T151C124-M126 PolarHBondContact O-N 2.78Å; C124-E150 HydrophobicContact CB-CB 4Å; C124-T151 PolarHBondContact N-O 3.3Å; C124-T151 PolarHBondContact SG-O 3.47Å
125D98Very high98Very high53 Ų5345.3 Ų45.328%0.28323%0.232SC..THydrogen-bonded Turntrans-66.3-21.6169.461.7-75.6000113.6K123 A127 S152 K154K123-D125 WeakPolarHBondContact CA-OD1 3.22Å; K123-D125 PolarHBondContact O-N 3.22Å; D125-A127 PolarHBondContact O-N 2.86Å; D125-S152 VanDerWaalsContact OD1-CB 3.25Å; D125-S152 WeakPolarHBondContact OD1-CB 3.45Å; D125-S152 PolarHBondContact OD1-OG 3.18Å; D125-K154 WeakPolarHBondContact OD2-CD 3.26Å
126M97Very high98.2Very high58 Ų5848.1 Ų48.129%0.28624%0.244SC..  trans-89.644.8179-60.2-174.36600112.1T92 K123 C124 H128 N129 R130T92-M126 HydrophobicContact CG2-CB 3.58Å; T92-M126 HydrophobicContact CG2-CE 4.2Å; T92-M126 HydrophobicContact CG2-CG 4.42Å; T92-M126 HydrophobicContact CG2-SD 4.13Å; K123-M126 HydrophobicContact CB-CG 4.38Å; K123-M126 HydrophobicContact CB-SD 4.26Å; K123-M126 HydrophobicContact CD-SD 4.09Å; K123-M126 WeakPolarHBondContact O-CB 3.48Å; K123-M126 PolarHBondContact O-N 2.86Å; C124-M126 PolarHBondContact O-N 2.78Å; M126-H128 PolarHBondContact O-N 2.7Å; M126-H128 VanDerWaalsContact O-N 3.08Å; M126-N129 HydrophobicContact CE-CB 4.37Å; M126-N129 WeakPolarHBondContact CE-OD1 3.31Å; M126-N129 PolarHBondContact O-N 2.83Å; M126-R130 PolarHBondContact O-N 3.45Å
127A96.2Very high98.2Very high67 Ų6746.3 Ų46.355%0.55424%0.236SC*.G310 helixtrans-55.2-32.4-174.400000113.9D125 N129 R130D125-A127 PolarHBondContact O-N 2.86Å; A127-N129 VanDerWaalsContact C-N 3.32Å; A127-N129 PolarHBondContact O-N 2.84Å; A127-R130 VanDerWaalsContact O-CB 3.3Å; A127-R130 WeakPolarHBondContact O-CB 3.29Å; A127-R130 PolarHBondContact O-N 3.02Å
128H97.4Very high98.3Very high162 Ų16249.3 Ų49.375%0.7525%0.246SC*.G310 helixtrans-72.7-19.2178.166.7-75.5000114.2M126M126-H128 PolarHBondContact O-N 2.7Å; M126-H128 VanDerWaalsContact O-N 3.08Å
129N98Very high98.3Very high71 Ų7153.7 Ų53.738%0.3827%0.267SS..G310 helixtrans-104.28.5174.2-57.7110.2000112.4T92 M126 A127 V131T92-N129 WeakPolarHBondContact CA-O 3.34Å; T92-N129 WeakPolarHBondContact CB-O 3.21Å; T92-N129 HydrophobicContact CG2-CB 3.75Å; M126-N129 HydrophobicContact CE-CB 4.37Å; M126-N129 WeakPolarHBondContact CE-OD1 3.31Å; M126-N129 PolarHBondContact O-N 2.83Å; A127-N129 VanDerWaalsContact C-N 3.32Å; A127-N129 PolarHBondContact O-N 2.84Å; N129-V131 PolarHBondContact O-N 3.3Å
130R98.5Very high98.2Very high74 Ų7455 Ų5528%0.27927%0.272SS..  trans-60.9126.8-177.4179.6180-72-91.99.5110.2I91 M126 A127 V132 E150I91-R130 HydrophobicContact CD1-CB 4.15Å; I91-R130 HydrophobicContact CD1-CG 4.2Å; M126-R130 PolarHBondContact O-N 3.45Å; A127-R130 VanDerWaalsContact O-CB 3.3Å; A127-R130 WeakPolarHBondContact O-CB 3.29Å; A127-R130 PolarHBondContact O-N 3.02Å; R130-V132 VanDerWaalsContact CD-O 3.27Å; R130-V132 WeakPolarHBondContact CD-O 3.43Å; R130-V132 WeakPolarHBondContact CG-O 3.22Å; R130-V132 PolarHBondContact NH1-O 3.11Å; R130-E150 IonicContact CZ-OE1 2.88Å; R130-E150 VanDerWaalsContact CZ-OE1 3.28Å; R130-E150 IonicContact CZ-OE2 3.28Å; R130-E150 IonicContact NH1-OE1 3.06Å; R130-E150 PolarHBondContact NH1-OE1 3.29Å; R130-E150 IonicContact NH1-OE2 2.7Å; R130-E150 VanDerWaalsContact NH2-CD 3.25Å; R130-E150 IonicContact NH2-OE1 3.88Å; R130-E150 PolarHBondContact NH2-OE1 2.86Å; R130-E150 IonicContact NH2-OE2 3.01Å; R130-E150 PolarHBondContact NH2-OE2 2.53Å
131V98.7Very high98.2Very high74 Ų7455.1 Ų55.145%0.44827%0.273SS..  trans-119.4-8.1172.3-57.20000112.7I91 T92 R94 N129I91-V131 PolarHBondContact O-N 2.91Å; T92-V131 VanDerWaalsContact C-CG2 3.45Å; R94-V131 HydrophobicContact CB-CG2 4.11Å; R94-V131 VanDerWaalsContact N-CG2 3.32Å; R94-V131 PolarHBondContact NH2-O 3.47Å; N129-V131 PolarHBondContact O-N 3.3Å
132V98.6Very high98.2Very high0 Ų060.7 Ų60.70%030%0.299CS..SBendtrans-119120.1172.8-171.80000108.8Y89 I91 F97 R130 E136Y89-V132 HydrophobicContact CE2-CB 4.01Å; Y89-V132 HydrophobicContact CE2-CG1 3.8Å; Y89-V132 HydrophobicContact CE2-CG2 4.23Å; I91-V132 PolarHBondContact O-N 3.08Å; I91-V132 VanDerWaalsContact O-N 3.15Å; F97-V132 HydrophobicContact CB-CG1 4.27Å; F97-V132 HydrophobicContact CB-CG2 3.74Å; F97-V132 HydrophobicContact CD1-CG1 4.25Å; F97-V132 HydrophobicContact CD2-CG1 3.7Å; F97-V132 HydrophobicContact CE2-CG1 4.04Å; F97-V132 HydrophobicContact CG-CG1 3.8Å; F97-V132 HydrophobicContact CG-CG2 4.12Å; F97-V132 HydrophobicContact CZ-CG1 4.41Å; R130-V132 VanDerWaalsContact CD-O 3.27Å; R130-V132 WeakPolarHBondContact CD-O 3.43Å; R130-V132 WeakPolarHBondContact CG-O 3.22Å; R130-V132 PolarHBondContact NH1-O 3.11Å; V132-E136 HydrophobicContact CG1-CB 4.11Å
133S98.5Very high98.1Very high44 Ų4466.1 Ų66.131%0.30832%0.324SS..  trans-71.6156.7178.366.60000111.8E135 E136 G137S133-E135 PolarHBondContact O-N 2.94Å; S133-E136 WeakPolarHBondContact CB-OE2 3.27Å; S133-E136 PolarHBondContact N-OE2 3.32Å; S133-E136 PolarHBondContact O-N 3.28Å; S133-E136 WeakPolarHBondContact OG-CG 3.06Å; S133-E136 PolarHBondContact OG-N 2.99Å; S133-E136 PolarHBondContact OG-OE2 3.43Å; S133-G137 PolarHBondContact O-N 2.7Å
134Y98.5Very high98Very high120 Ų12065.5 Ų65.547%0.47132%0.321SS..Hα-helixtrans-54.5-40.5171.6179.5-86.4000111.2G137 R138 F148 E150Y134-G137 PolarHBondContact O-N 2.94Å; Y134-R138 HydrophobicContact CE1-CB 4.29Å; Y134-R138 WeakPolarHBondContact O-CB 3.45Å; Y134-R138 PolarHBondContact O-N 3.31Å; Y134-F148 HydrophobicContact CD1-CE1 4.46Å; Y134-F148 AromaticContact CD2-CE1 3.83Å; Y134-F148 HydrophobicContact CD2-CE1 3.83Å; Y134-F148 HydrophobicContact CE1-CE1 4.28Å; Y134-F148 HydrophobicContact CE2-CD1 4.19Å; Y134-F148 AromaticContact CE2-CE1 3.6Å; Y134-F148 HydrophobicContact CE2-CE1 3.6Å; Y134-F148 HydrophobicContact CG-CE1 4.24Å; Y134-F148 AromaticContact CZ-CE1 3.84Å; Y134-E150 HydrophobicContact CD2-CG 3.59Å; Y134-E150 HydrophobicContact CE2-CG 3.92Å
135E98.5Very high97.9Very high69 Ų6967.7 Ų67.732%0.32235%0.348SS..Hα-helixtrans-65.9-42.7-176.5-174.556.5-156.500112.3S133 G137 R138 Q139S133-E135 PolarHBondContact O-N 2.94Å; E135-G137 VanDerWaalsContact C-N 3.32Å; E135-G137 PolarHBondContact O-N 3.2Å; E135-R138 PolarHBondContact O-N 3.21Å; E135-R138 IonicContact OE1-CZ 3.65Å; E135-R138 IonicContact OE1-NE 3.92Å; E135-R138 IonicContact OE1-NH2 3.13Å; E135-R138 PolarHBondContact OE1-NH2 3.35Å; E135-R138 IonicContact OE2-CZ 3.62Å; E135-R138 VanDerWaalsContact OE2-CZ 3.23Å; E135-R138 IonicContact OE2-NE 3.23Å; E135-R138 PolarHBondContact OE2-NE 2.8Å; E135-R138 IonicContact OE2-NH2 3.58Å; E135-R138 PolarHBondContact OE2-NH2 2.92Å; E135-Q139 HydrophobicContact CG-CG 4.42Å; E135-Q139 WeakPolarHBondContact O-CB 3.46Å; E135-Q139 VanDerWaalsContact O-CG 3.26Å; E135-Q139 WeakPolarHBondContact O-CG 3.46Å; E135-Q139 PolarHBondContact O-N 3.01Å; E135-Q139 WeakPolarHBondContact OE1-CG 3.44Å; E135-Q139 PolarHBondContact OE1-NE2 2.99Å
136E98.5Very high97.9Very high62 Ų6266.5 Ų66.529%0.2934%0.341SS..Hα-helixtrans-61.4-42174.1-72168.699.600111.8R94 F97 V132 S133 K140R94-E136 IonicContact CZ-OE1 3.13Å; R94-E136 IonicContact CZ-OE2 3.99Å; R94-E136 IonicContact NH1-OE1 2.75Å; R94-E136 PolarHBondContact NH1-OE1 2.91Å; R94-E136 IonicContact NH1-OE2 3.99Å; R94-E136 IonicContact NH2-OE1 2.7Å; R94-E136 PolarHBondContact NH2-OE1 2.74Å; R94-E136 IonicContact NH2-OE2 3.04Å; R94-E136 PolarHBondContact NH2-OE2 3.01Å; F97-E136 HydrophobicContact CE1-CB 4.49Å; F97-E136 HydrophobicContact CZ-CB 4.01Å; V132-E136 HydrophobicContact CG1-CB 4.11Å; S133-E136 WeakPolarHBondContact CB-OE2 3.27Å; S133-E136 PolarHBondContact N-OE2 3.32Å; S133-E136 PolarHBondContact O-N 3.28Å; S133-E136 WeakPolarHBondContact OG-CG 3.06Å; S133-E136 PolarHBondContact OG-N 2.99Å; S133-E136 PolarHBondContact OG-OE2 3.43Å; E136-K140 VanDerWaalsContact O-CB 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.35Å; E136-K140 PolarHBondContact O-N 2.89Å
137G98.6Very high97.9Very high0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-59.1-47.9174.300000112.7Y89 S133 Y134 E135 K140 A141Y89-G137 WeakPolarHBondContact OH-CA 3.35Å; S133-G137 PolarHBondContact O-N 2.7Å; Y134-G137 PolarHBondContact O-N 2.94Å; E135-G137 VanDerWaalsContact C-N 3.32Å; E135-G137 PolarHBondContact O-N 3.2Å; G137-K140 PolarHBondContact O-N 3.04Å; G137-A141 PolarHBondContact O-N 2.89Å; G137-A141 VanDerWaalsContact O-N 3.11Å
138R98.6Very high98Very high97 Ų9763.3 Ų63.337%0.36632%0.323SS..Hα-helixtrans-62.5-50.9178.3-176-179.169.9142.96111.8Y134 E135 K140 A141 E142 F148Y134-R138 HydrophobicContact CE1-CB 4.29Å; Y134-R138 WeakPolarHBondContact O-CB 3.45Å; Y134-R138 PolarHBondContact O-N 3.31Å; E135-R138 PolarHBondContact O-N 3.21Å; E135-R138 IonicContact OE1-CZ 3.65Å; E135-R138 IonicContact OE1-NE 3.92Å; E135-R138 IonicContact OE1-NH2 3.13Å; E135-R138 PolarHBondContact OE1-NH2 3.35Å; E135-R138 IonicContact OE2-CZ 3.62Å; E135-R138 VanDerWaalsContact OE2-CZ 3.23Å; E135-R138 IonicContact OE2-NE 3.23Å; E135-R138 PolarHBondContact OE2-NE 2.8Å; E135-R138 IonicContact OE2-NH2 3.58Å; E135-R138 PolarHBondContact OE2-NH2 2.92Å; R138-K140 VanDerWaalsContact C-N 3.26Å; R138-K140 PolarHBondContact O-N 3.3Å; R138-A141 WeakPolarHBondContact O-CB 3.15Å; R138-A141 PolarHBondContact O-N 2.93Å; R138-A141 VanDerWaalsContact O-N 3.08Å; R138-E142 IonicContact NE-OE1 2.74Å; R138-E142 WeakPolarHBondContact O-CG 3.37Å; R138-E142 PolarHBondContact O-N 2.94Å; R138-F148 HydrophobicContact CB-CD1 3.91Å; R138-F148 HydrophobicContact CB-CE1 4.16Å
139Q98.5Very high98.1Very high100 Ų10056.2 Ų56.247%0.46729%0.291SS..Hα-helixtrans-58.8-39.5178.9-73175.44.600111.6E135 A141 E142 E143E135-Q139 HydrophobicContact CG-CG 4.42Å; E135-Q139 WeakPolarHBondContact O-CB 3.46Å; E135-Q139 VanDerWaalsContact O-CG 3.26Å; E135-Q139 WeakPolarHBondContact O-CG 3.46Å; E135-Q139 PolarHBondContact O-N 3.01Å; E135-Q139 WeakPolarHBondContact OE1-CG 3.44Å; E135-Q139 PolarHBondContact OE1-NE2 2.99Å; Q139-A141 VanDerWaalsContact C-N 3.34Å; Q139-A141 PolarHBondContact O-N 2.95Å; Q139-E142 PolarHBondContact O-N 3.18Å; Q139-E143 PolarHBondContact O-N 3.41Å
140K98.2Very high98.1Very high27 Ų2754.1 Ų54.112%0.11728%0.278CS..Hα-helixtrans-65.4-36.7176.5-167.252.8159171.10112.6F97 V100 L119 E136 G137 R138 E143 Y144F97-K140 HydrophobicContact CE2-CB 3.83Å; F97-K140 HydrophobicContact CE2-CG 4.04Å; F97-K140 HydrophobicContact CZ-CB 3.83Å; F97-K140 HydrophobicContact CZ-CG 4.07Å; V100-K140 HydrophobicContact CG1-CG 4.07Å; L119-K140 HydrophobicContact CD2-CB 4.34Å; L119-K140 HydrophobicContact CD2-CG 4.5Å; E136-K140 VanDerWaalsContact O-CB 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.35Å; E136-K140 PolarHBondContact O-N 2.89Å; G137-K140 PolarHBondContact O-N 3.04Å; R138-K140 VanDerWaalsContact C-N 3.26Å; R138-K140 PolarHBondContact O-N 3.3Å; K140-E143 VanDerWaalsContact CD-OE2 3.22Å; K140-E143 WeakPolarHBondContact CD-OE2 3.3Å; K140-E143 VanDerWaalsContact NZ-CD 3.33Å; K140-E143 IonicContact NZ-OE1 3.13Å; K140-E143 PolarHBondContact NZ-OE1 3.37Å; K140-E143 VanDerWaalsContact NZ-OE1 3.13Å; K140-E143 IonicContact NZ-OE2 2.77Å; K140-E143 PolarHBondContact NZ-OE2 2.82Å; K140-Y144 HydrophobicContact CD-CD2 4.46Å; K140-Y144 HydrophobicContact CD-CE2 3.82Å; K140-Y144 HydrophobicContact CG-CE2 4.23Å; K140-Y144 PolarHBondContact NZ-OH 2.84Å; K140-Y144 WeakPolarHBondContact O-CD2 3.47Å
141A98.3Very high98.1Very high2 Ų250.6 Ų50.62%0.01727%0.265CS..Hα-helixtrans-69.7-39.8174.700000112.1L119 G137 R138 Q139 Y144 G145 I146 F148L119-A141 HydrophobicContact CB-CB 4.23Å; L119-A141 HydrophobicContact CD2-CB 4Å; G137-A141 PolarHBondContact O-N 2.89Å; G137-A141 VanDerWaalsContact O-N 3.11Å; R138-A141 WeakPolarHBondContact O-CB 3.15Å; R138-A141 PolarHBondContact O-N 2.93Å; R138-A141 VanDerWaalsContact O-N 3.08Å; Q139-A141 VanDerWaalsContact C-N 3.34Å; Q139-A141 PolarHBondContact O-N 2.95Å; A141-Y144 CarbonylContact O-C 3.44Å; A141-Y144 PolarHBondContact O-N 3.21Å; A141-G145 PolarHBondContact O-N 3.43Å; A141-I146 HydrophobicContact CB-CG1 4.04Å; A141-I146 PolarHBondContact O-N 3.39Å; A141-F148 HydrophobicContact CB-CB 3.65Å; A141-F148 HydrophobicContact CB-CD2 4.44Å; A141-F148 HydrophobicContact CB-CG 4.32Å
142E97.9Very high98.1Very high117 Ų11747 Ų4755%0.54724%0.244SC..Hα-helixtrans-61.3-41.3174.6-71.9173.2-176.600111.8R138 Q139 Y144 G145R138-E142 IonicContact NE-OE1 2.74Å; R138-E142 WeakPolarHBondContact O-CG 3.37Å; R138-E142 PolarHBondContact O-N 2.94Å; Q139-E142 PolarHBondContact O-N 3.18Å; E142-Y144 PolarHBondContact O-N 3.41Å; E142-G145 PolarHBondContact O-N 3.42Å
143E97.2Very high98.1Very high117 Ų11747.2 Ų47.255%0.54725%0.245SC..Hα-helixtrans-53.4-37.1174.3-174-166.6142.900112.4Q139 K140Q139-E143 PolarHBondContact O-N 3.41Å; K140-E143 VanDerWaalsContact CD-OE2 3.22Å; K140-E143 WeakPolarHBondContact CD-OE2 3.3Å; K140-E143 VanDerWaalsContact NZ-CD 3.33Å; K140-E143 IonicContact NZ-OE1 3.13Å; K140-E143 PolarHBondContact NZ-OE1 3.37Å; K140-E143 VanDerWaalsContact NZ-OE1 3.13Å; K140-E143 IonicContact NZ-OE2 2.77Å; K140-E143 PolarHBondContact NZ-OE2 2.82Å
144Y96.1Very high98Very high37 Ų3750.9 Ų50.915%0.14526%0.255CS..Hα-helixtrans-96.1-3.3178.9-65.8-62.4000114.3V100 Q101 M104 F108 K140 A141 E142V100-Y144 HydrophobicContact CG1-CE2 4.37Å; Q101-Y144 WeakPolarHBondContact CA-OH 3.38Å; Q101-Y144 WeakPolarHBondContact CG-OH 3.46Å; M104-Y144 HydrophobicContact CB-CD1 4.31Å; M104-Y144 HydrophobicContact CB-CE1 3.94Å; M104-Y144 HydrophobicContact CB-CE2 4.15Å; M104-Y144 HydrophobicContact CE-CD1 3.97Å; M104-Y144 HydrophobicContact CE-CD2 4.15Å; M104-Y144 HydrophobicContact CE-CG 3.68Å; M104-Y144 HydrophobicContact CG-CD1 4.42Å; M104-Y144 HydrophobicContact CG-CD2 3.88Å; M104-Y144 HydrophobicContact CG-CE1 4.34Å; M104-Y144 HydrophobicContact CG-CE2 3.78Å; M104-Y144 HydrophobicContact CG-CG 4.22Å; F108-Y144 AromaticContact CE2-CD1 3.76Å; F108-Y144 HydrophobicContact CE2-CD1 3.76Å; F108-Y144 HydrophobicContact CE2-CE1 4.12Å; F108-Y144 HydrophobicContact CZ-CD1 4.08Å; K140-Y144 HydrophobicContact CD-CD2 4.46Å; K140-Y144 HydrophobicContact CD-CE2 3.82Å; K140-Y144 HydrophobicContact CG-CE2 4.23Å; K140-Y144 PolarHBondContact NZ-OH 2.84Å; K140-Y144 WeakPolarHBondContact O-CD2 3.47Å; A141-Y144 CarbonylContact O-C 3.44Å; A141-Y144 PolarHBondContact O-N 3.21Å; E142-Y144 PolarHBondContact O-N 3.41Å
145G96.2Very high97.9Very high71 Ų7148.2 Ų48.273%0.73225%0.254SS*.THydrogen-bonded Turntrans63.737.3-175.800000113.8A141 E142A141-G145 PolarHBondContact O-N 3.43Å; E142-G145 PolarHBondContact O-N 3.42Å
146I97.2Very high97.8Very high27 Ų2746.7 Ų46.714%0.13825%0.251CS..  trans-119.1161.7-178.166.4175.2000111.4M104 K117 L119 A141M104-I146 HydrophobicContact CE-CD1 3.98Å; M104-I146 HydrophobicContact CE-CG2 4.34Å; M104-I146 HydrophobicContact SD-CD1 4.15Å; K117-I146 HydrophobicContact CB-CB 4.15Å; K117-I146 HydrophobicContact CB-CG2 3.61Å; K117-I146 HydrophobicContact CD-CG2 4.17Å; K117-I146 HydrophobicContact CG-CG2 4.49Å; L119-I146 HydrophobicContact CB-CD1 3.88Å; L119-I146 HydrophobicContact CB-CG1 4.43Å; A141-I146 HydrophobicContact CB-CG1 4.04Å; A141-I146 PolarHBondContact O-N 3.39Å
147G97.5Very high97.9Very high34 Ų3446.4 Ų46.435%0.35125%0.254SS..EExtended strand (participates in β ladder)trans-67.3161.1175.500000112.9L118 L119L118-G147 VanDerWaalsContact CD1-C 3.45Å; L119-G147 PolarHBondContact N-O 2.87Å
148F98.7Very high97.8Very high24 Ų2449.4 Ų49.411%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-139.2133.8177.7179.3-116.4000112.5Y89 L119 A121 Y134 R138 A141 E150Y89-F148 HydrophobicContact CE1-CE2 4.17Å; L119-F148 HydrophobicContact CB-CD2 4.17Å; L119-F148 HydrophobicContact CD2-CD2 4.01Å; L119-F148 HydrophobicContact CD2-CE2 4.36Å; L119-F148 HydrophobicContact CG-CD2 4.05Å; L119-F148 HydrophobicContact CG-CE2 4.45Å; L119-F148 WeakPolarHBondContact O-CA 3.38Å; A121-F148 HydrophobicContact CB-CE2 3.84Å; A121-F148 HydrophobicContact CB-CZ 3.93Å; Y134-F148 HydrophobicContact CD1-CE1 4.46Å; Y134-F148 AromaticContact CD2-CE1 3.83Å; Y134-F148 HydrophobicContact CD2-CE1 3.83Å; Y134-F148 HydrophobicContact CE1-CE1 4.28Å; Y134-F148 HydrophobicContact CE2-CD1 4.19Å; Y134-F148 AromaticContact CE2-CE1 3.6Å; Y134-F148 HydrophobicContact CE2-CE1 3.6Å; Y134-F148 HydrophobicContact CG-CE1 4.24Å; Y134-F148 AromaticContact CZ-CE1 3.84Å; R138-F148 HydrophobicContact CB-CD1 3.91Å; R138-F148 HydrophobicContact CB-CE1 4.16Å; A141-F148 HydrophobicContact CB-CB 3.65Å; A141-F148 HydrophobicContact CB-CD2 4.44Å; A141-F148 HydrophobicContact CB-CG 4.32Å; F148-E150 HydrophobicContact CE1-CG 4.33Å; F148-E150 HydrophobicContact CZ-CG 4.1Å
149L98.5Very high97.8Very high14 Ų1444.8 Ų44.87%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-142146.4168.9-71.7174.9000111.6L119 I120 A121 K161 A162 E165L119-L149 PolarHBondContact O-N 2.67Å; I120-L149 WeakPolarHBondContact CA-O 3.29Å; I120-L149 HydrophobicContact CD1-CB 4.06Å; A121-L149 PolarHBondContact N-O 2.91Å; L149-K161 HydrophobicContact CD1-CG 4.16Å; L149-K161 HydrophobicContact CD2-CD 4.4Å; L149-A162 HydrophobicContact CD1-CB 3.81Å; L149-E165 WeakPolarHBondContact CD1-OE2 3.45Å
150E98.7Very high97.8Very high26 Ų2643.5 Ų43.512%0.12125%0.246CC..EExtended strand (participates in β ladder)trans-90.1140.5160.7-57.1-154.3149.200110.9A121 C124 R130 Y134 F148 N158A121-E150 HydrophobicContact CB-CB 4.42Å; A121-E150 HydrophobicContact CB-CG 3.98Å; A121-E150 CarbonylContact O-C 3.56Å; A121-E150 VanDerWaalsContact O-CA 3.26Å; A121-E150 WeakPolarHBondContact O-CA 3.33Å; C124-E150 HydrophobicContact CB-CB 4Å; R130-E150 IonicContact CZ-OE1 2.88Å; R130-E150 VanDerWaalsContact CZ-OE1 3.28Å; R130-E150 IonicContact CZ-OE2 3.28Å; R130-E150 IonicContact NH1-OE1 3.06Å; R130-E150 PolarHBondContact NH1-OE1 3.29Å; R130-E150 IonicContact NH1-OE2 2.7Å; R130-E150 VanDerWaalsContact NH2-CD 3.25Å; R130-E150 IonicContact NH2-OE1 3.88Å; R130-E150 PolarHBondContact NH2-OE1 2.86Å; R130-E150 IonicContact NH2-OE2 3.01Å; R130-E150 PolarHBondContact NH2-OE2 2.53Å; Y134-E150 HydrophobicContact CD2-CG 3.59Å; Y134-E150 HydrophobicContact CE2-CG 3.92Å; F148-E150 HydrophobicContact CE1-CG 4.33Å; F148-E150 HydrophobicContact CZ-CG 4.1Å; E150-N158 VanDerWaalsContact O-CB 3.22Å; E150-N158 WeakPolarHBondContact O-CB 3.31Å; E150-N158 PolarHBondContact O-ND2 3.33Å
151T98.8Very high97.8Very high0 Ų046.9 Ų46.90%026%0.261CS..  trans-134.8158.9-17961.50000111.5I120 A121 N122 K123 C124 T157 N158 A162I120-T151 HydrophobicContact CD1-CG2 4.35Å; I120-T151 HydrophobicContact CG2-CG2 3.72Å; I120-T151 WeakPolarHBondContact CG2-OG1 3.23Å; A121-T151 PolarHBondContact O-N 2.78Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 WeakPolarHBondContact CA-O 3.4Å; N122-T151 PolarHBondContact OD1-O 2.96Å; N122-T151 PolarHBondContact OD1-OG1 2.79Å; K123-T151 PolarHBondContact N-O 2.86Å; C124-T151 PolarHBondContact N-O 3.3Å; C124-T151 PolarHBondContact SG-O 3.47Å; T151-T157 CarbonylContact C-O 3.58Å; T151-T157 VanDerWaalsContact CA-O 3.26Å; T151-T157 WeakPolarHBondContact CA-O 3.5Å; T151-N158 HydrophobicContact CG2-CB 4.07Å; T151-A162 HydrophobicContact CG2-CB 4.07Å
152S98.4Very high97.8Very high0 Ų046.8 Ų46.80%026%0.26CS..BIsolated β-bridgetrans-134.3114.5162.8172.50000109.3D125 K154 S155 S156 T157 V159D125-S152 VanDerWaalsContact OD1-CB 3.25Å; D125-S152 WeakPolarHBondContact OD1-CB 3.45Å; D125-S152 PolarHBondContact OD1-OG 3.18Å; S152-K154 PolarHBondContact O-N 3.31Å; S152-K154 PolarHBondContact OG-N 3.37Å; S152-K154 VanDerWaalsContact OG-N 3.16Å; S152-S155 WeakPolarHBondContact CB-OG 3.38Å; S152-S155 PolarHBondContact OG-N 2.87Å; S152-S155 PolarHBondContact OG-OG 3.25Å; S152-S156 CarbonylContact O-C 3.36Å; S152-S156 WeakPolarHBondContact O-CA 3.47Å; S152-S156 PolarHBondContact O-N 3.04Å; S152-T157 PolarHBondContact N-O 2.79Å; S152-T157 PolarHBondContact O-N 2.93Å; S152-T157 VanDerWaalsContact O-N 3.15Å; S152-V159 WeakPolarHBondContact O-CG2 3.11Å
153A97.6Very high97.8Very high3 Ų341.2 Ų41.23%0.02523%0.234CC..THydrogen-bonded Turntrans-59.9-31.6168.100000112.1C24 L25 R28 F34 N122C24-A153 HydrophobicContact CB-CB 3.62Å; L25-A153 HydrophobicContact CD2-CB 4Å; L25-A153 HydrophobicContact CG-CB 4.22Å; R28-A153 PolarHBondContact NE-O 2.77Å; R28-A153 PolarHBondContact NH2-O 3.13Å; F34-A153 HydrophobicContact CD2-CB 4.22Å; F34-A153 HydrophobicContact CE2-CB 4.22Å; N122-A153 PolarHBondContact OD1-N 2.92Å
154K97.1Very high97.9Very high122 Ų12239.6 Ų39.653%0.5323%0.227SC..THydrogen-bonded Turntrans-68.7-55.2-178-173.3-173.8-175.8-179.90111.4R28 F34 D125 S152R28-K154 PolarHBondContact NH2-O 2.83Å; F34-K154 HydrophobicContact CD1-CG 4.22Å; F34-K154 HydrophobicContact CD2-CB 4.47Å; F34-K154 HydrophobicContact CE1-CB 4.12Å; F34-K154 HydrophobicContact CE1-CG 3.8Å; F34-K154 HydrophobicContact CE2-CB 4.05Å; F34-K154 HydrophobicContact CZ-CB 3.86Å; F34-K154 HydrophobicContact CZ-CG 4.03Å; D125-K154 WeakPolarHBondContact OD2-CD 3.26Å; S152-K154 PolarHBondContact O-N 3.31Å; S152-K154 PolarHBondContact OG-N 3.37Å; S152-K154 VanDerWaalsContact OG-N 3.16Å
155S96.7Very high97.9Very high64 Ų6440.8 Ų40.845%0.44823%0.233SC..THydrogen-bonded Turntrans-902.6-179.261.70000114.2S152 T157S152-S155 WeakPolarHBondContact CB-OG 3.38Å; S152-S155 PolarHBondContact OG-N 2.87Å; S152-S155 PolarHBondContact OG-OG 3.25Å; S155-T157 PolarHBondContact O-N 2.87Å; S155-T157 PolarHBondContact OG-OG1 3.09Å
156S97.5Very high98Very high36 Ų3637.6 Ų37.625%0.25220%0.2SC..THydrogen-bonded Turntrans62.213.8-173.3-153.20000114.5R28 S152 N158 V159R28-S156 WeakPolarHBondContact CD-OG 3.34Å; S152-S156 CarbonylContact O-C 3.36Å; S152-S156 WeakPolarHBondContact O-CA 3.47Å; S152-S156 PolarHBondContact O-N 3.04Å; S156-N158 PolarHBondContact O-N 3.04Å; S156-V159 PolarHBondContact O-N 3.13Å
157T98.6Very high98.1Very high57 Ų5736.3 Ų36.335%0.3519%0.193SC..BIsolated β-bridgetrans-62.4122.9-179.5-57.20000110.2T151 S152 S155 V159T151-T157 CarbonylContact C-O 3.58Å; T151-T157 VanDerWaalsContact CA-O 3.26Å; T151-T157 WeakPolarHBondContact CA-O 3.5Å; S152-T157 PolarHBondContact N-O 2.79Å; S152-T157 PolarHBondContact O-N 2.93Å; S152-T157 VanDerWaalsContact O-N 3.15Å; S155-T157 PolarHBondContact O-N 2.87Å; S155-T157 PolarHBondContact OG-OG1 3.09Å; T157-V159 PolarHBondContact O-N 3.33Å
158N98.5Very high98.1Very high62 Ų6238.1 Ų38.133%0.33219%0.189SC..THydrogen-bonded Turntrans55.811177.8-65.8-32.3000116.5E150 T151 S156 K161 A162E150-N158 VanDerWaalsContact O-CB 3.22Å; E150-N158 WeakPolarHBondContact O-CB 3.31Å; E150-N158 PolarHBondContact O-ND2 3.33Å; T151-N158 HydrophobicContact CG2-CB 4.07Å; S156-N158 PolarHBondContact O-N 3.04Å; N158-K161 HydrophobicContact CB-CB 4.42Å; N158-K161 PolarHBondContact O-N 3.08Å; N158-A162 WeakPolarHBondContact O-CB 3.09Å; N158-A162 PolarHBondContact O-N 2.86Å
159V98.5Very high98Very high1 Ų138.4 Ų38.41%0.00620%0.196CC..Hα-helixtrans-63.3-53.4-177.31780000110.9L25 R28 S152 S156 T157 K161 A162 F163L25-V159 HydrophobicContact CD2-CG1 4.35Å; L25-V159 HydrophobicContact CD2-CG2 3.77Å; R28-V159 HydrophobicContact CB-CG1 4.29Å; R28-V159 HydrophobicContact CG-CB 4.2Å; R28-V159 HydrophobicContact CG-CG1 3.96Å; R28-V159 HydrophobicContact CG-CG2 4Å; S152-V159 WeakPolarHBondContact O-CG2 3.11Å; S156-V159 PolarHBondContact O-N 3.13Å; T157-V159 PolarHBondContact O-N 3.33Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.33Å; V159-A162 PolarHBondContact O-N 2.85Å; V159-F163 HydrophobicContact CG1-CD2 4.32Å; V159-F163 HydrophobicContact CG1-CE2 4.2Å; V159-F163 WeakPolarHBondContact O-CD2 2.83Å; V159-F163 PolarHBondContact O-N 3.47Å
160H97.8Very high97.9Very high72 Ų7238 Ų3833%0.33319%0.194SC..Hα-helixtrans-59.8-44.9175.8-76.2-85.9000112.2Y29 E32 A162 F163 E164Y29-H160 AromaticContact CD2-CE1 3.86Å; Y29-H160 AromaticContact CD2-ND1 3.6Å; Y29-H160 AromaticContact CE2-ND1 3.52Å; E32-H160 IonicContact OE1-CD2 3.58Å; E32-H160 IonicContact OE1-CE1 4Å; E32-H160 PolarHBondContact OE1-CE1 2.9Å; E32-H160 IonicContact OE1-NE2 2.65Å; E32-H160 PolarHBondContact OE1-NE2 3.13Å; E32-H160 IonicContact OE2-NE2 3.64Å; E32-H160 PolarHBondContact OE2-NE2 2.98Å; H160-A162 VanDerWaalsContact C-N 3.28Å; H160-A162 PolarHBondContact O-N 3.33Å; H160-F163 PolarHBondContact O-N 3.15Å; H160-E164 WeakPolarHBondContact O-CB 3.18Å; H160-E164 PolarHBondContact O-N 3.33Å
161K98.2Very high97.8Very high98 Ų9837.1 Ų37.143%0.42619%0.19SC..Hα-helixtrans-55.5-43.5178.5-176.6176.2173.3178.70111.6L149 N158 V159 E164 E165L149-K161 HydrophobicContact CD1-CG 4.16Å; L149-K161 HydrophobicContact CD2-CD 4.4Å; N158-K161 HydrophobicContact CB-CB 4.42Å; N158-K161 PolarHBondContact O-N 3.08Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.33Å; K161-E164 PolarHBondContact O-N 3.24Å; K161-E165 WeakPolarHBondContact CE-OE1 3.09Å; K161-E165 HydrophobicContact CG-CG 4.3Å; K161-E165 IonicContact NZ-OE1 2.67Å; K161-E165 WeakPolarHBondContact O-CB 3.49Å; K161-E165 WeakPolarHBondContact O-CG 3.25Å; K161-E165 PolarHBondContact O-N 3.13Å
162A98.6Very high97.6Very high1 Ų140.7 Ų40.71%0.00821%0.207CC..Hα-helixtrans-63.5-45.617900000113.2M86 L118 I120 L149 T151 N158 V159 H160 L166M86-A162 HydrophobicContact CE-CB 3.76Å; L118-A162 HydrophobicContact CD2-CB 4.21Å; L118-A162 VanDerWaalsContact CD2-O 3.25Å; L118-A162 WeakPolarHBondContact CD2-O 3.15Å; I120-A162 HydrophobicContact CD1-CB 3.73Å; L149-A162 HydrophobicContact CD1-CB 3.81Å; T151-A162 HydrophobicContact CG2-CB 4.07Å; N158-A162 WeakPolarHBondContact O-CB 3.09Å; N158-A162 PolarHBondContact O-N 2.86Å; V159-A162 PolarHBondContact O-N 2.85Å; H160-A162 VanDerWaalsContact C-N 3.28Å; H160-A162 PolarHBondContact O-N 3.33Å; A162-L166 PolarHBondContact O-N 3.08Å
163F98.3Very high97.2Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-66.9-37.7176-77.7-79.6000112.1L14 Y29 I62 M86 V159 H160 T167L14-F163 HydrophobicContact CD2-CE1 4.27Å; L14-F163 HydrophobicContact CD2-CZ 4.37Å; Y29-F163 VanDerWaalsContact CB-CE2 3.43Å; Y29-F163 HydrophobicContact CD1-CB 4.21Å; Y29-F163 AromaticContact CD1-CD1 3.8Å; Y29-F163 HydrophobicContact CD1-CD1 3.8Å; Y29-F163 AromaticContact CD1-CD2 3.57Å; Y29-F163 HydrophobicContact CD1-CD2 3.57Å; Y29-F163 HydrophobicContact CD1-CE1 4.01Å; Y29-F163 AromaticContact CD1-CE2 3.81Å; Y29-F163 HydrophobicContact CD1-CE2 3.81Å; Y29-F163 AromaticContact CD1-CG 3.58Å; Y29-F163 HydrophobicContact CD1-CG 3.58Å; Y29-F163 HydrophobicContact CD1-CZ 4.02Å; Y29-F163 HydrophobicContact CD2-CB 4.1Å; Y29-F163 AromaticContact CD2-CD2 3.63Å; Y29-F163 HydrophobicContact CD2-CD2 3.63Å; Y29-F163 HydrophobicContact CD2-CE2 4.34Å; Y29-F163 HydrophobicContact CD2-CG 4.01Å; Y29-F163 HydrophobicContact CE1-CB 3.8Å; Y29-F163 AromaticContact CE1-CD1 3.79Å; Y29-F163 HydrophobicContact CE1-CD1 3.79Å; Y29-F163 HydrophobicContact CE1-CD2 4.07Å; Y29-F163 HydrophobicContact CE1-CE1 4.39Å; Y29-F163 AromaticContact CE1-CG 3.61Å; Y29-F163 HydrophobicContact CE1-CG 3.61Å; Y29-F163 HydrophobicContact CE2-CB 3.71Å; Y29-F163 HydrophobicContact CE2-CD2 4.14Å; Y29-F163 HydrophobicContact CE2-CG 4.06Å; Y29-F163 HydrophobicContact CG-CB 4.34Å; Y29-F163 HydrophobicContact CG-CD1 4.4Å; Y29-F163 AromaticContact CG-CD2 3.31Å; Y29-F163 HydrophobicContact CG-CD2 3.31Å; Y29-F163 AromaticContact CG-CE2 3.61Å; Y29-F163 HydrophobicContact CG-CE2 3.61Å; Y29-F163 AromaticContact CG-CG 3.77Å; Y29-F163 HydrophobicContact CG-CG 3.77Å; Y29-F163 HydrophobicContact CG-CZ 4.27Å; Y29-F163 AromaticContact CZ-CG 3.85Å; I62-F163 HydrophobicContact CD1-CD1 4.14Å; I62-F163 HydrophobicContact CD1-CE1 3.83Å; I62-F163 HydrophobicContact CG1-CE1 4.48Å; I62-F163 HydrophobicContact CG2-CE1 4.07Å; M86-F163 HydrophobicContact CE-CE2 4.45Å; M86-F163 HydrophobicContact CE-CZ 4.43Å; M86-F163 HydrophobicContact SD-CD1 3.77Å; M86-F163 HydrophobicContact SD-CE1 3.56Å; M86-F163 VanDerWaalsContact SD-CE1 3.56Å; M86-F163 HydrophobicContact SD-CE2 4.46Å; M86-F163 HydrophobicContact SD-CG 4.32Å; M86-F163 HydrophobicContact SD-CZ 3.94Å; V159-F163 HydrophobicContact CG1-CD2 4.32Å; V159-F163 HydrophobicContact CG1-CE2 4.2Å; V159-F163 WeakPolarHBondContact O-CD2 2.83Å; V159-F163 PolarHBondContact O-N 3.47Å; H160-F163 PolarHBondContact O-N 3.15Å; F163-T167 VanDerWaalsContact O-CB 3.23Å; F163-T167 WeakPolarHBondContact O-CB 3.18Å; F163-T167 PolarHBondContact O-N 3.25Å; F163-T167 PolarHBondContact O-OG1 2.89Å
164E97.7Very high96.6Very high82 Ų8244.2 Ų44.238%0.38323%0.227SC..Hα-helixtrans-68.8-44.8178.8-168.1-175.312400112.4L53 H160 K161 T167 R168L53-E164 HydrophobicContact CD1-CG 3.8Å; H160-E164 WeakPolarHBondContact O-CB 3.18Å; H160-E164 PolarHBondContact O-N 3.33Å; K161-E164 PolarHBondContact O-N 3.24Å; E164-T167 PolarHBondContact O-N 2.91Å; E164-R168 WeakPolarHBondContact O-CB 3.12Å; E164-R168 PolarHBondContact O-N 3.44Å; E164-R168 IonicContact OE1-CZ 3.6Å; E164-R168 IonicContact OE1-NH1 2.7Å; E164-R168 IonicContact OE1-NH2 3.76Å; E164-R168 PolarHBondContact OE1-NH2 2.95Å
165E97.9Very high95.7Very high62 Ų6240.5 Ų40.529%0.2922%0.217SC..Hα-helixtrans-60-47.7176.9-79.6-173.5-171.100111.6L149 K161 T167 R168 A169L149-E165 WeakPolarHBondContact CD1-OE2 3.45Å; K161-E165 WeakPolarHBondContact CE-OE1 3.09Å; K161-E165 HydrophobicContact CG-CG 4.3Å; K161-E165 IonicContact NZ-OE1 2.67Å; K161-E165 WeakPolarHBondContact O-CB 3.49Å; K161-E165 WeakPolarHBondContact O-CG 3.25Å; K161-E165 PolarHBondContact O-N 3.13Å; E165-T167 PolarHBondContact O-N 2.92Å; E165-R168 PolarHBondContact O-N 2.67Å; E165-A169 PolarHBondContact O-N 3.21Å
166L98.2Very high94.5Very high4 Ų441.4 Ų41.42%0.02122%0.216CC..Hα-helixtrans-62.8-43.9175.4-178.361.6000111.2I12 M86 E116 L118 A162 R168 A169 I170I12-L166 HydrophobicContact CD1-CD2 4.28Å; I12-L166 HydrophobicContact CG1-CD2 4.35Å; I12-L166 HydrophobicContact CG2-CD2 3.88Å; M86-L166 HydrophobicContact CG-CD2 3.35Å; M86-L166 HydrophobicContact SD-CD2 4.13Å; E116-L166 HydrophobicContact CB-CD1 3.53Å; L118-L166 HydrophobicContact CB-CD1 4.3Å; L118-L166 HydrophobicContact CD2-CB 4.1Å; A162-L166 PolarHBondContact O-N 3.08Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.99Å; L166-A169 PolarHBondContact O-N 3.18Å; L166-I170 HydrophobicContact CD1-CD1 4.48Å; L166-I170 HydrophobicContact CG-CD1 4.11Å; L166-I170 VanDerWaalsContact O-CG1 3.23Å; L166-I170 WeakPolarHBondContact O-CG1 3.47Å; L166-I170 PolarHBondContact O-N 2.9Å
167T98Very high93.1Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-62.9-38.8179.6-59.80000112F10 I51 L53 I58 L60 F163 E164 E165 I170 L171F10-T167 HydrophobicContact CD2-CG2 3.89Å; F10-T167 HydrophobicContact CE2-CG2 3.97Å; I51-T167 HydrophobicContact CD1-CG2 3.96Å; L53-T167 HydrophobicContact CD2-CG2 3.71Å; I58-T167 HydrophobicContact CD1-CG2 3.88Å; I58-T167 HydrophobicContact CG2-CG2 4.21Å; L60-T167 HydrophobicContact CD2-CG2 3.92Å; F163-T167 VanDerWaalsContact O-CB 3.23Å; F163-T167 WeakPolarHBondContact O-CB 3.18Å; F163-T167 PolarHBondContact O-N 3.25Å; F163-T167 PolarHBondContact O-OG1 2.89Å; E164-T167 PolarHBondContact O-N 2.91Å; E165-T167 PolarHBondContact O-N 2.92Å; T167-I170 PolarHBondContact O-N 2.66Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 PolarHBondContact O-N 3.06Å
168R97.6Very high91.6Very high72 Ų7248.8 Ų48.827%0.27223%0.231SC..Hα-helixtrans-64.1-47.4175.5-174.6179.9-68104.1-0.9111.4L53 E54 E164 E165 L166 I170 L171 H172L53-R168 HydrophobicContact CD2-CB 4.01Å; E54-R168 IonicContact OE1-NE 3.65Å; E164-R168 WeakPolarHBondContact O-CB 3.12Å; E164-R168 PolarHBondContact O-N 3.44Å; E164-R168 IonicContact OE1-CZ 3.6Å; E164-R168 IonicContact OE1-NH1 2.7Å; E164-R168 IonicContact OE1-NH2 3.76Å; E164-R168 PolarHBondContact OE1-NH2 2.95Å; E165-R168 PolarHBondContact O-N 2.67Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.99Å; R168-I170 VanDerWaalsContact C-N 3.29Å; R168-I170 PolarHBondContact O-N 2.93Å; R168-L171 WeakPolarHBondContact O-CB 3.46Å; R168-L171 PolarHBondContact O-N 2.79Å; R168-L171 VanDerWaalsContact O-N 3.09Å; R168-H172 PolarHBondContact O-CD2 3.26Å; R168-H172 PolarHBondContact O-N 2.84Å
169A97Very high89.9Confident31 Ų3152.2 Ų52.226%0.25625%0.245SC..Hα-helixtrans-57.2-44.5176.400000111.4E116 E165 L166 L171 H172 N173E116-A169 HydrophobicContact CB-CB 4.39Å; E116-A169 HydrophobicContact CG-CB 3.88Å; E165-A169 PolarHBondContact O-N 3.21Å; L166-A169 PolarHBondContact O-N 3.18Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 3.28Å; A169-H172 PolarHBondContact O-N 2.85Å; A169-N173 PolarHBondContact O-N 3.47Å
170I97.1Very high88.1Confident4 Ų457.7 Ų57.72%0.02127%0.271CS..Hα-helixtrans-61.8-43.1176.5-63.6165.9000110.7F10 I12 M83 E116 L166 T167 R168 S174F10-I170 HydrophobicContact CB-CD1 4.5Å; F10-I170 HydrophobicContact CB-CG2 4.45Å; F10-I170 HydrophobicContact CD1-CG2 3.79Å; F10-I170 HydrophobicContact CD2-CB 4.04Å; F10-I170 HydrophobicContact CD2-CD1 4.35Å; F10-I170 HydrophobicContact CD2-CG2 3.63Å; F10-I170 HydrophobicContact CE1-CG2 3.82Å; F10-I170 HydrophobicContact CE2-CB 3.99Å; F10-I170 HydrophobicContact CE2-CG2 3.66Å; F10-I170 HydrophobicContact CG-CG2 3.72Å; F10-I170 HydrophobicContact CZ-CB 4.48Å; F10-I170 HydrophobicContact CZ-CG2 3.78Å; I12-I170 HydrophobicContact CD1-CD1 4.45Å; I12-I170 HydrophobicContact CG1-CD1 4.14Å; M83-I170 HydrophobicContact CB-CD1 4.3Å; M83-I170 HydrophobicContact CB-CG1 4.46Å; M83-I170 HydrophobicContact CB-CG2 3.78Å; M83-I170 HydrophobicContact CE-CG2 3.68Å; E116-I170 HydrophobicContact CB-CG1 3.83Å; E116-I170 HydrophobicContact CG-CB 4.34Å; E116-I170 HydrophobicContact CG-CG1 3.7Å; L166-I170 HydrophobicContact CD1-CD1 4.48Å; L166-I170 HydrophobicContact CG-CD1 4.11Å; L166-I170 VanDerWaalsContact O-CG1 3.23Å; L166-I170 WeakPolarHBondContact O-CG1 3.47Å; L166-I170 PolarHBondContact O-N 2.9Å; T167-I170 PolarHBondContact O-N 2.66Å; R168-I170 VanDerWaalsContact C-N 3.29Å; R168-I170 PolarHBondContact O-N 2.93Å; I170-S174 WeakPolarHBondContact O-CB 3.38Å; I170-S174 PolarHBondContact O-N 3.3Å; I170-S174 PolarHBondContact O-OG 2.75Å
171L95.7Very high86.3Confident8 Ų858.1 Ų58.14%0.04228%0.282CS..Hα-helixtrans-62.9-44.4-179.2-178.363.6000111.7F10 L53 E54 K56 I58 T167 R168 A169 S174 S175F10-L171 HydrophobicContact CE2-CB 4.15Å; F10-L171 HydrophobicContact CZ-CB 4.17Å; F10-L171 HydrophobicContact CZ-CD1 4.01Å; L53-L171 HydrophobicContact CD2-CD2 4.47Å; E54-L171 HydrophobicContact CB-CD2 4.15Å; K56-L171 HydrophobicContact CD-CD1 3.74Å; K56-L171 HydrophobicContact CD-CD2 4.25Å; I58-L171 HydrophobicContact CD1-CD1 4.25Å; I58-L171 HydrophobicContact CD1-CD2 4.14Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 PolarHBondContact O-N 3.06Å; R168-L171 WeakPolarHBondContact O-CB 3.46Å; R168-L171 PolarHBondContact O-N 2.79Å; R168-L171 VanDerWaalsContact O-N 3.09Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 3.28Å; L171-S174 PolarHBondContact O-N 2.7Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 2.71Å
172H94.7Very high84.4Confident75 Ų7556.2 Ų56.235%0.34728%0.281SS..Hα-helixtrans-65.4-47.3179-67.7-179000110.6E54 R168 A169 S174 S175 I176E54-H172 IonicContact OE1-CD2 3.99Å; E54-H172 IonicContact OE1-CE1 3.58Å; E54-H172 IonicContact OE1-NE2 2.88Å; E54-H172 PolarHBondContact OE1-NE2 2.91Å; E54-H172 IonicContact OE2-CD2 3.6Å; E54-H172 IonicContact OE2-NE2 3.08Å; E54-H172 PolarHBondContact OE2-NE2 3.5Å; E54-H172 VanDerWaalsContact OE2-NE2 3.08Å; R168-H172 PolarHBondContact O-CD2 3.26Å; R168-H172 PolarHBondContact O-N 2.84Å; A169-H172 PolarHBondContact O-N 2.85Å; H172-S174 VanDerWaalsContact C-N 3.33Å; H172-S174 PolarHBondContact O-N 3.39Å; H172-S175 WeakPolarHBondContact O-CB 3.42Å; H172-S175 PolarHBondContact O-N 3.02Å; H172-S175 PolarHBondContact O-OG 3.21Å; H172-I176 WeakPolarHBondContact O-CG1 3.49Å; H172-I176 PolarHBondContact O-N 3.22Å; H172-I176 VanDerWaalsContact O-N 3.09Å
173N91Very high82.4Confident54 Ų5459.9 Ų59.929%0.28930%0.303SS..Hα-helixtrans-68.2-32.4178.8-76.12.5000113E116 A169 S175 R177E116-N173 PolarHBondContact OE1-ND2 3.15Å; A169-N173 PolarHBondContact O-N 3.47Å; N173-S175 VanDerWaalsContact C-N 3.31Å; N173-S175 PolarHBondContact O-N 3.3Å; N173-R177 PolarHBondContact O-N 3.44Å
174S84.6Confident80.5Confident24 Ų2464.4 Ų64.417%0.16833%0.331CS..Hα-helixtrans-67.5-31.1171.7-61.20000112.8M83 I170 L171 H172 R178M83-S174 WeakPolarHBondContact CE-OG 3.49Å; I170-S174 WeakPolarHBondContact O-CB 3.38Å; I170-S174 PolarHBondContact O-N 3.3Å; I170-S174 PolarHBondContact O-OG 2.75Å; L171-S174 PolarHBondContact O-N 2.7Å; H172-S174 VanDerWaalsContact C-N 3.33Å; H172-S174 PolarHBondContact O-N 3.39Å; S174-R178 WeakPolarHBondContact O-CG 3.39Å
175S76.7Confident78.3Confident44 Ų4463.6 Ų63.631%0.30833%0.331SS..Hα-helixtrans-74.2-40.7178.973.40000112.2L171 H172 N173 R177 R178 H179L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 2.71Å; H172-S175 WeakPolarHBondContact O-CB 3.42Å; H172-S175 PolarHBondContact O-N 3.02Å; H172-S175 PolarHBondContact O-OG 3.21Å; N173-S175 VanDerWaalsContact C-N 3.31Å; N173-S175 PolarHBondContact O-N 3.3Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 3.47Å; S175-R178 PolarHBondContact O-N 3.46Å; S175-H179 PolarHBondContact O-CD2 2.91Å; S175-H179 PolarHBondContact O-N 3.28Å
176I71.8Confident76.1Confident83 Ų8366.9 Ų66.943%0.42635%0.347SS..Hα-helixtrans-58.5-45.8177-66.9166.2000110.3H172 R178 H179 E180H172-I176 WeakPolarHBondContact O-CG1 3.49Å; H172-I176 PolarHBondContact O-N 3.22Å; H172-I176 VanDerWaalsContact O-N 3.09Å; I176-R178 VanDerWaalsContact C-N 3.33Å; I176-R178 PolarHBondContact O-N 3.31Å; I176-H179 WeakPolarHBondContact O-CA 3.33Å; I176-H179 WeakPolarHBondContact O-CB 3.44Å; I176-H179 PolarHBondContact O-N 2.79Å; I176-E180 HydrophobicContact CG2-CG 4.45Å; I176-E180 PolarHBondContact O-N 3.42Å
177R69.4Low74Confident83 Ų8371.4 Ų71.431%0.31337%0.374SS..Hα-helixtrans-66.5-30.7-179.5-66.6-170.3-162.1135.121.3114.6E114 N173 S175 H179 S181E114-R177 VanDerWaalsContact CB-NH1 3.32Å; E114-R177 VanDerWaalsContact CD-NE 3.28Å; E114-R177 PolarHBondContact O-NH2 3.04Å; E114-R177 VanDerWaalsContact O-NH2 3.13Å; E114-R177 IonicContact OE1-CZ 2.94Å; E114-R177 IonicContact OE1-NE 2.63Å; E114-R177 PolarHBondContact OE1-NE 3.03Å; E114-R177 VanDerWaalsContact OE1-NE 3.13Å; E114-R177 IonicContact OE1-NH1 3.4Å; E114-R177 IonicContact OE2-CZ 3.48Å; E114-R177 IonicContact OE2-NE 3.9Å; E114-R177 IonicContact OE2-NH1 3.17Å; E114-R177 PolarHBondContact OE2-NH1 3.43Å; E114-R177 IonicContact OE2-NH2 3.78Å; N173-R177 PolarHBondContact O-N 3.44Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 3.47Å; R177-H179 VanDerWaalsContact C-N 3.28Å; R177-H179 PolarHBondContact O-N 3.44Å; R177-S181 WeakPolarHBondContact O-CB 3.46Å; R177-S181 PolarHBondContact O-N 3Å
178R67.3Low71.8Confident164 Ų16479 Ų7962%0.61941%0.409SS*.Hα-helixtrans-66.5-34.1173.2-70.7-178.3-170.5173.23.3111.2S174 S175 I176 S182S174-R178 WeakPolarHBondContact O-CG 3.39Å; S175-R178 PolarHBondContact O-N 3.46Å; I176-R178 VanDerWaalsContact C-N 3.33Å; I176-R178 PolarHBondContact O-N 3.31Å; R178-S182 PolarHBondContact O-N 3.1Å; R178-S182 PolarHBondContact O-OG 2.76Å
179H63Low69.6Low134 Ų13484.8 Ų84.862%0.6243%0.431SS*.Hα-helixtrans-75-39175.7-83.4-75.3000112.9S175 I176 R177 S182 T183S175-H179 PolarHBondContact O-CD2 2.91Å; S175-H179 PolarHBondContact O-N 3.28Å; I176-H179 WeakPolarHBondContact O-CA 3.33Å; I176-H179 WeakPolarHBondContact O-CB 3.44Å; I176-H179 PolarHBondContact O-N 2.79Å; R177-H179 VanDerWaalsContact C-N 3.28Å; R177-H179 PolarHBondContact O-N 3.44Å; H179-S182 WeakPolarHBondContact CA-OG 3.44Å; H179-S182 PolarHBondContact O-N 3.09Å; H179-S182 PolarHBondContact O-OG 3.28Å; H179-T183 PolarHBondContact O-N 3.34Å; H179-T183 PolarHBondContact O-OG1 3.24Å
180E60.7Low67.6Low117 Ų11790.4 Ų90.455%0.54746%0.456SS..Hα-helixtrans-67.1-43.2176.7-71.1177.3168.500112I176 S182 T183 V184I176-E180 HydrophobicContact CG2-CG 4.45Å; I176-E180 PolarHBondContact O-N 3.42Å; E180-S182 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.03Å; E180-T183 PolarHBondContact O-N 3.25Å; E180-T183 VanDerWaalsContact O-N 3.16Å; E180-V184 WeakPolarHBondContact O-CG2 3.29Å; E180-V184 PolarHBondContact O-N 3.42Å
181S59.6Low65.3Low81 Ų8194 Ų9457%0.56649%0.486SS*.Hα-helixtrans-65.2-32.9178.5-169.50000112.7R177 T185R177-S181 WeakPolarHBondContact O-CB 3.46Å; R177-S181 PolarHBondContact O-N 3Å; S181-T185 PolarHBondContact O-N 3.07Å; S181-T185 PolarHBondContact O-OG1 3.45Å
182S56.8Low63Low58 Ų58101.6 Ų101.641%0.40652%0.521SS..Hα-helixtrans-74.6-31.3174.141.40000113R178 H179 E180 Q186R178-S182 PolarHBondContact O-N 3.1Å; R178-S182 PolarHBondContact O-OG 2.76Å; H179-S182 WeakPolarHBondContact CA-OG 3.44Å; H179-S182 PolarHBondContact O-N 3.09Å; H179-S182 PolarHBondContact O-OG 3.28Å; E180-S182 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.03Å; S182-Q186 PolarHBondContact O-N 3.16Å
183T57.8Low61Low78 Ų78103.5 Ų103.548%0.47954%0.541SS..Hα-helixtrans-71.2-44175.7-51.60000111.6H179 E180 T185 Q186 V187H179-T183 PolarHBondContact O-N 3.34Å; H179-T183 PolarHBondContact O-OG1 3.24Å; E180-T183 PolarHBondContact O-N 3.25Å; E180-T183 VanDerWaalsContact O-N 3.16Å; T183-T185 VanDerWaalsContact C-N 3.27Å; T183-T185 PolarHBondContact O-N 3.3Å; T183-Q186 PolarHBondContact O-N 3.21Å; T183-V187 WeakPolarHBondContact O-CG2 3.47Å; T183-V187 PolarHBondContact O-N 2.75Å
184V58Low58.9Low94 Ų94107 Ų10757%0.5757%0.566SS**Hα-helixtrans-62.8-35.4176.5176.40000111.6E180 Q186 V187 H188E180-V184 WeakPolarHBondContact O-CG2 3.29Å; E180-V184 PolarHBondContact O-N 3.42Å; V184-Q186 VanDerWaalsContact C-N 3.3Å; V184-Q186 PolarHBondContact O-N 2.63Å; V184-V187 PolarHBondContact O-N 3.31Å; V184-H188 PolarHBondContact O-N 3.14Å
185T52.4Low57.1Low65 Ų65113.8 Ų113.840%0.39960%0.601SS.*Hα-helixtrans-67.1-29.1174.8-53.30000112.4S181 T183S181-T185 PolarHBondContact O-N 3.07Å; S181-T185 PolarHBondContact O-OG1 3.45Å; T183-T185 VanDerWaalsContact C-N 3.27Å; T183-T185 PolarHBondContact O-N 3.3Å
186Q51.2Low55.9Low132 Ų132116.9 Ų116.962%0.61762%0.623SS**Hα-helixtrans-78.2-37.8174.5-78.7-172.9-2.400112.7S182 T183 V184 H188 R189 L190S182-Q186 PolarHBondContact O-N 3.16Å; T183-Q186 PolarHBondContact O-N 3.21Å; V184-Q186 VanDerWaalsContact C-N 3.3Å; V184-Q186 PolarHBondContact O-N 2.63Å; Q186-H188 VanDerWaalsContact C-N 3.31Å; Q186-H188 PolarHBondContact O-N 3.13Å; Q186-R189 PolarHBondContact O-N 2.83Å; Q186-R189 VanDerWaalsContact O-N 3.1Å; Q186-L190 PolarHBondContact O-N 2.92Å
187V54Low55.1Low98 Ų98120 Ų12059%0.59464%0.638SS**Hα-helixtrans-64.8-36.6177.51800000111.2T183 V184 R189 L190T183-V187 WeakPolarHBondContact O-CG2 3.47Å; T183-V187 PolarHBondContact O-N 2.75Å; V184-V187 PolarHBondContact O-N 3.31Å; V187-R189 VanDerWaalsContact C-N 3.27Å; V187-R189 PolarHBondContact O-N 3.16Å; V187-L190 PolarHBondContact O-N 2.92Å
188H51.6Low54.1Low159 Ų159121.3 Ų121.374%0.73666%0.661SS**THydrogen-bonded Turntrans-70.3-18.4174.7-112-66.8000114.5V184 Q186V184-H188 PolarHBondContact O-N 3.14Å; Q186-H188 VanDerWaalsContact C-N 3.31Å; Q186-H188 PolarHBondContact O-N 3.13Å
189R52.1Low53.2Low195 Ų195117.5 Ų117.574%0.73667%0.672SS**THydrogen-bonded Turntrans-91.4-11.7175.8-73.1-172.9-152.8-175.44.9114.2Q186 V187Q186-R189 PolarHBondContact O-N 2.83Å; Q186-R189 VanDerWaalsContact O-N 3.1Å; V187-R189 VanDerWaalsContact C-N 3.27Å; V187-R189 PolarHBondContact O-N 3.16Å
190L54.8Low52.6Low148 Ų148117.5 Ų117.578%0.77568%0.682SS**SBendtrans-96.23.1-179.4-71.4165.9000113.2Q186 V187Q186-L190 PolarHBondContact O-N 2.92Å; V187-L190 PolarHBondContact O-N 2.92Å
191A48.7Very low52.3Low79 Ų79117.6 Ų117.665%0.65369%0.694SS**  trans-109.856.4176.300000111.4
192E47Very low51.9Low168 Ų168119.3 Ų119.379%0.78571%0.705SS**  trans-112.4121.4161.3-76.1-174.7171.800108.6
193P51.9Low51.2Low116 Ų116121.6 Ų121.675%0.75372%0.72SS**  trans-71.9148.4177.729-31.6000110.9
194P47.4Very low51.1Low127 Ų127125.2 Ų125.283%0.82574%0.743SS**  trans-71.5137.2-176.928.8-32.8000112.1
195N46.5Very low50.7Low166 Ų166128.2 Ų128.289%0.88879%0.792SS**  trans-40.2132.3174.7-79.2-34.8000114.9
196S52.3Low50.6Low110 Ų110131.4 Ų131.477%0.76981%0.812SS**  trans-107.8100.6159.161.30000111.2
197I54.5Low50.6Low148 Ų148131.3 Ų131.376%0.75982%0.822SS**  60.7102.8124.3-58.5167.4000118.8
198S49.3Very low50.4Low111 Ų111133.2 Ų133.278%0.77684%0.835SS**  trans38.7126.7134.971.70000121.8
199G48.7Very low50.3Low84 Ų84131.6 Ų131.687%0.86684%0.841SS**  trans-168.784.6160.900000112.1
200T49.7Very low50.2Low133 Ų133127.7 Ų127.782%0.81685%0.847SS**  trans-66.2137.8175.8-420000111.8
201C54.8Low49.9Very low119 Ų119126.3 Ų126.380%0.80485%0.852SS**  159.2158.5106.5-1410000113.5
202C51.2Low50Low117 Ų117129.7 Ų129.779%0.79187%0.867SS**  trans-81.3163.9-154-61.10000117.6
203S42.1Very low50.2Low106 Ų106126.8 Ų126.874%0.74187%0.873SS**  trans-58.5138164.9480000115.6
204T54.2Low50.1Low155 Ų155127.7 Ų127.795%0.95188%0.883SS**  trans-173.912913221.10000110.1
205G50.4Low50.4Low156 Ų156127.7 Ų127.7100%1.60889%0.888SS**  trans157.80178.800000110.9

Retrieved 205 of 205 residues in 189.6 ms (Link to these results)

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