A0A087X8G9_POEFO Loading...

Haloacid dehalogenase-like hydrolase domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087X8G9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 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
1M36.6Very low73.9Confident242 Ų24291.3 Ų91.3100%1.19249%0.488SS*.  01120-63.1-168.7-157.800107.2G3M1-G3 PolarHBondContact O-N 3.16Å
2A40.4Very low76Confident106 Ų10683.7 Ų83.788%0.87645%0.447SS*.  trans-68.4115.9175.600000107.6R4A2-R4 PolarHBondContact O-N 3Å
3G45.8Very low77.6Confident66 Ų6677.7 Ų77.768%0.6842%0.415SS*.  trans-54.5132.7178.800000110M1 R5M1-G3 PolarHBondContact O-N 3.16Å; G3-R5 PolarHBondContact O-N 3.31Å
4R53.3Low78.9Confident221 Ų22172.2 Ų72.283%0.83439%0.386SS*.  trans-49.8115.9169.6-101.1177.6168.6170-6.4107.5A2 A6A2-R4 PolarHBondContact O-N 3Å; R4-A6 PolarHBondContact O-N 3.39Å
5R65.7Low79.7Confident189 Ų18971.8 Ų71.871%0.71339%0.391SS*.PPolyproline II helixtrans-64.8122.8170.1-76.1-178.2177.9172.63.1106.9G3 L7 S197G3-R5 PolarHBondContact O-N 3.31Å; R5-L7 PolarHBondContact O-N 3.21Å; R5-S197 PolarHBondContact NH1-OG 3.01Å
6A84.8Confident80.4Confident70 Ų7067.5 Ų67.558%0.57937%0.369SS*.PPolyproline II helixtrans-66.8130.8-179.600000110R4R4-A6 PolarHBondContact O-N 3.39Å
7L95.2Very high81.3Confident17 Ų1763.5 Ų63.59%0.08935%0.347CS..PPolyproline II helixtrans-67.9130.3172.9-175.475.2000109R5 V10 V40 V200 I254 L258 L259R5-L7 PolarHBondContact O-N 3.21Å; L7-V10 HydrophobicContact CD2-CG2 4.3Å; L7-V40 HydrophobicContact CD2-CG1 4.35Å; L7-V40 HydrophobicContact CG-CG1 4.39Å; L7-V200 HydrophobicContact CD1-CB 3.97Å; L7-V200 HydrophobicContact CD1-CG1 3.92Å; L7-V200 HydrophobicContact CD2-CG1 3.92Å; L7-I254 HydrophobicContact CD2-CG2 3.61Å; L7-L258 HydrophobicContact CB-CB 4.38Å; L7-L258 HydrophobicContact CD2-CB 3.97Å; L7-L258 HydrophobicContact CD2-CD1 4.26Å; L7-L259 HydrophobicContact CB-CD2 3.93Å; L7-L259 HydrophobicContact CD2-CD2 4.21Å; L7-L259 HydrophobicContact CG-CD2 4.48Å
8K96.5Very high82.2Confident93 Ų9360.1 Ų60.140%0.40433%0.328SS..  trans-115.7-26-179.7-68.1-179.1176.6166.10113.5V40 A41 C194 E198K8-V40 WeakPolarHBondContact O-CA 3.49Å; K8-A41 PolarHBondContact O-N 2.95Å; K8-C194 WeakPolarHBondContact CB-SG 3.39Å; K8-E198 HydrophobicContact CB-CB 4.27Å; K8-E198 HydrophobicContact CD-CB 4.29Å; K8-E198 HydrophobicContact CD-CG 4.47Å; K8-E198 WeakPolarHBondContact CE-OE1 3.4Å; K8-E198 HydrophobicContact CG-CB 4.3Å; K8-E198 PolarHBondContact N-O 3.13Å; K8-E198 IonicContact NZ-OE1 3.8Å; K8-E198 PolarHBondContact NZ-OE1 3.4Å; K8-E198 IonicContact NZ-OE2 2.75Å
9A97.8Very high82.8Confident0 Ų057.1 Ų57.10%031%0.311CS..EExtended strand (participates in β ladder)trans-139.7146.5-175.700000113.1A41 L189 L192 C194 E198 A199 V200A9-A41 CarbonylContact C-O 3.44Å; A9-A41 VanDerWaalsContact CA-O 3.31Å; A9-A41 WeakPolarHBondContact CA-O 3.5Å; A9-A41 HydrophobicContact CB-CB 4.46Å; A9-L189 HydrophobicContact CB-CD2 3.86Å; A9-L192 HydrophobicContact CB-CD1 3.81Å; A9-C194 HydrophobicContact CB-CB 4.3Å; A9-E198 PolarHBondContact N-O 2.98Å; A9-A199 HydrophobicContact CB-CB 4.12Å; A9-A199 VanDerWaalsContact O-CA 3.25Å; A9-A199 WeakPolarHBondContact O-CA 3.3Å; A9-V200 PolarHBondContact O-N 3.03Å; A9-V200 VanDerWaalsContact O-N 3.09Å
10V98.4Very high83.1Confident0 Ų057.6 Ų57.60%032%0.316CS..EExtended strand (participates in β ladder)trans-120.2117.4170.6-173.50000108.4L7 I12 L35 V40 A41 K43 V200 I202 I254L7-V10 HydrophobicContact CD2-CG2 4.3Å; V10-I12 HydrophobicContact CG1-CD1 4.23Å; V10-I12 HydrophobicContact CG1-CG1 3.7Å; V10-L35 HydrophobicContact CB-CD2 4.12Å; V10-L35 HydrophobicContact CG1-CD2 4.03Å; V10-L35 HydrophobicContact CG2-CD1 4.18Å; V10-L35 HydrophobicContact CG2-CD2 4.13Å; V10-V40 HydrophobicContact CG2-CB 4.42Å; V10-V40 HydrophobicContact CG2-CG2 4.16Å; V10-A41 PolarHBondContact N-O 2.78Å; V10-K43 PolarHBondContact O-N 2.87Å; V10-V200 CarbonylContact C-O 3.56Å; V10-V200 WeakPolarHBondContact CA-O 3.26Å; V10-V200 HydrophobicContact CB-CG1 4.25Å; V10-V200 HydrophobicContact CG1-CG1 3.98Å; V10-V200 HydrophobicContact CG2-CG1 3.88Å; V10-I202 HydrophobicContact CG1-CD1 3.74Å; V10-I202 HydrophobicContact CG1-CG1 4.15Å; V10-I254 HydrophobicContact CG1-CD1 4.2Å; V10-I254 HydrophobicContact CG2-CD1 4.34Å
11L98.6Very high83.1Confident0 Ų061.4 Ų61.40%033%0.332CS..EExtended strand (participates in β ladder)trans-88.6130.1166.7-59.9-167.6000108.9K43 V45 F185 A188 L189 V200 M201 I202 M218L11-K43 VanDerWaalsContact CA-O 3.31Å; L11-K43 WeakPolarHBondContact CA-O 3.32Å; L11-K43 HydrophobicContact CD2-CB 3.64Å; L11-K43 HydrophobicContact CD2-CG 4.14Å; L11-V45 HydrophobicContact CB-CG1 4.46Å; L11-V45 HydrophobicContact CB-CG2 4.37Å; L11-V45 HydrophobicContact CD1-CG1 4.35Å; L11-V45 HydrophobicContact CD2-CG1 4.33Å; L11-F185 HydrophobicContact CD1-CD1 4.13Å; L11-A188 HydrophobicContact CD1-CB 3.92Å; L11-A188 HydrophobicContact CD2-CB 4.2Å; L11-L189 HydrophobicContact CD1-CD2 4.25Å; L11-L189 HydrophobicContact CD1-CG 4.23Å; L11-L189 HydrophobicContact CD2-CD2 3.81Å; L11-L189 HydrophobicContact CD2-CG 4.47Å; L11-L189 HydrophobicContact CG-CD2 4.03Å; L11-V200 PolarHBondContact N-O 2.98Å; L11-M201 HydrophobicContact CB-SD 3.59Å; L11-M201 VanDerWaalsContact CB-SD 3.59Å; L11-M201 CarbonylContact O-C 3.58Å; L11-M201 WeakPolarHBondContact O-CA 3.49Å; L11-I202 PolarHBondContact O-N 3.11Å; L11-M218 HydrophobicContact CB-CE 4.05Å; L11-M218 HydrophobicContact CD1-CE 3.46Å; L11-M218 VanDerWaalsContact CD1-CE 3.46Å; L11-M218 HydrophobicContact CD1-SD 3.98Å; L11-M218 HydrophobicContact CG-CE 3.56Å
12I98.6Very high85.5Confident0 Ų055.6 Ų55.60%031%0.306CS..EExtended strand (participates in β ladder)trans-124.7118.1-174.1-53.3173.1000108.5V10 T17 L18 L32 L35 V42 K43 F44 V45 F247V10-I12 HydrophobicContact CG1-CD1 4.23Å; V10-I12 HydrophobicContact CG1-CG1 3.7Å; I12-T17 HydrophobicContact CG2-CG2 4.27Å; I12-L18 HydrophobicContact CG2-CD1 3.99Å; I12-L18 HydrophobicContact CG2-CD2 3.97Å; I12-L18 HydrophobicContact CG2-CG 3.85Å; I12-L32 HydrophobicContact CD1-CD1 4.12Å; I12-L35 HydrophobicContact CD1-CD2 4Å; I12-V42 HydrophobicContact CD1-CG1 3.5Å; I12-V42 HydrophobicContact CG1-CG1 4.37Å; I12-K43 PolarHBondContact N-O 3.27Å; I12-F44 HydrophobicContact CB-CD1 4.14Å; I12-F44 HydrophobicContact CD1-CE1 4.14Å; I12-F44 HydrophobicContact CG2-CD1 4.46Å; I12-F44 CarbonylContact O-C 3.54Å; I12-F44 WeakPolarHBondContact O-CA 3.3Å; I12-V45 PolarHBondContact O-N 3.19Å; I12-F247 HydrophobicContact CD1-CE2 3.79Å; I12-F247 HydrophobicContact CD1-CZ 3.97Å; I12-F247 HydrophobicContact CG1-CE2 4.13Å; I12-F247 HydrophobicContact CG2-CD2 4.04Å; I12-F247 HydrophobicContact CG2-CE2 3.62Å; I12-F247 HydrophobicContact CG2-CZ 4.4Å
13D97.9Very high87.9Confident6 Ų655.3 Ų55.33%0.03229%0.293CS..EExtended strand (participates in β ladder)trans-64.7152.6168.3-178.865.6000111.3S15 T17 V45 K179 M201 I202D13-S15 PolarHBondContact OD2-N 3.01Å; D13-T17 VanDerWaalsContact O-CB 3.28Å; D13-T17 WeakPolarHBondContact O-CB 3.44Å; D13-T17 PolarHBondContact OD2-OG1 3.27Å; D13-V45 WeakPolarHBondContact CA-O 3.1Å; D13-K179 IonicContact OD1-NZ 2.61Å; D13-K179 PolarHBondContact OD1-NZ 3.29Å; D13-M201 HydrophobicContact CB-CE 3.69Å; D13-I202 PolarHBondContact N-O 3.19Å
14L95.3Very high90.3Very high1 Ų153 Ų531%0.00527%0.268CS..  trans-91.5-67.1-178.3-65.6-179.1000112.8G16 T17 L18 H19 F44 V45 T46 L60L14-G16 PolarHBondContact O-N 3.34Å; L14-T17 PolarHBondContact O-N 3.32Å; L14-L18 HydrophobicContact CD2-CD1 3.86Å; L14-L18 PolarHBondContact O-N 2.9Å; L14-H19 PolarHBondContact O-CD2 3.04Å; L14-H19 VanDerWaalsContact O-CD2 3.32Å; L14-H19 PolarHBondContact O-N 3.25Å; L14-F44 HydrophobicContact CD2-CB 3.8Å; L14-F44 HydrophobicContact CD2-CD1 3.91Å; L14-F44 HydrophobicContact CD2-CG 4.14Å; L14-F44 HydrophobicContact CG-CB 4.4Å; L14-V45 PolarHBondContact N-O 3.36Å; L14-T46 HydrophobicContact CD1-CG2 3.76Å; L14-L60 HydrophobicContact CD1-CD1 3.95Å; L14-L60 HydrophobicContact CD2-CD1 3.64Å; L14-L60 HydrophobicContact CD2-CD2 4.32Å; L14-L60 HydrophobicContact CG-CD1 4.42Å
15S91.5Very high92.3Very high66 Ų6642.9 Ų42.946%0.46223%0.231SC..BIsolated β-bridgetrans-87114.3-167.7169.60000110.7D13D13-S15 PolarHBondContact OD2-N 3.01Å
16G90Very high93.9Very high3 Ų339.5 Ų39.53%0.03123%0.233CC..THydrogen-bonded Turntrans101.9-16.1-174.100000112.6L14 H19 D204 T225 G226L14-G16 PolarHBondContact O-N 3.34Å; G16-H19 PolarHBondContact N-O 2.78Å; G16-D204 WeakPolarHBondContact CA-OD2 3.37Å; G16-T225 CarbonylContact O-C 3.48Å; G16-T225 WeakPolarHBondContact O-CB 3.34Å; G16-T225 PolarHBondContact O-OG1 3.36Å; G16-G226 VanDerWaalsContact CA-CA 3.48Å; G16-G226 PolarHBondContact O-N 2.73Å
17T96.9Very high94.5Very high0 Ų037.8 Ų37.80%022%0.222CC..THydrogen-bonded Turntrans-110.8-55.5-177.5-58.50000112.4I12 D13 L14 V25 I202 G203 D204 V223 F247I12-T17 HydrophobicContact CG2-CG2 4.27Å; D13-T17 VanDerWaalsContact O-CB 3.28Å; D13-T17 WeakPolarHBondContact O-CB 3.44Å; D13-T17 PolarHBondContact OD2-OG1 3.27Å; L14-T17 PolarHBondContact O-N 3.32Å; T17-V25 WeakPolarHBondContact O-CG2 3.47Å; T17-I202 HydrophobicContact CG2-CG2 3.96Å; T17-G203 WeakPolarHBondContact OG1-CA 3.42Å; T17-D204 PolarHBondContact OG1-N 3.42Å; T17-V223 HydrophobicContact CG2-CG2 4.19Å; T17-F247 HydrophobicContact CG2-CB 4.22Å; T17-F247 HydrophobicContact CG2-CD2 4.11Å; T17-F247 WeakPolarHBondContact O-CB 3.37Å
18L96.6Very high94.6Very high1 Ų137 Ų371%0.00522%0.218CC..THydrogen-bonded Turntrans-92-32.9175.5-69.1-177.3000112.5I12 L14 V25 A28 F44 F65 F247I12-L18 HydrophobicContact CG2-CD1 3.99Å; I12-L18 HydrophobicContact CG2-CD2 3.97Å; I12-L18 HydrophobicContact CG2-CG 3.85Å; L14-L18 HydrophobicContact CD2-CD1 3.86Å; L14-L18 PolarHBondContact O-N 2.9Å; L18-V25 PolarHBondContact O-N 2.69Å; L18-A28 HydrophobicContact CD2-CB 4.35Å; L18-F44 HydrophobicContact CD1-CD1 3.76Å; L18-F44 HydrophobicContact CD1-CE1 3.71Å; L18-F65 HydrophobicContact CB-CE1 4.33Å; L18-F65 HydrophobicContact CB-CE2 4.42Å; L18-F65 HydrophobicContact CB-CZ 3.94Å; L18-F65 HydrophobicContact CD2-CE1 4.1Å; L18-F65 HydrophobicContact CD2-CZ 4.48Å; L18-F65 WeakPolarHBondContact O-CZ 3.25Å; L18-F247 HydrophobicContact CD2-CD1 3.57Å; L18-F247 HydrophobicContact CD2-CD2 3.91Å; L18-F247 HydrophobicContact CD2-CE1 3.54Å; L18-F247 HydrophobicContact CD2-CE2 3.9Å; L18-F247 HydrophobicContact CD2-CG 3.75Å; L18-F247 HydrophobicContact CD2-CZ 3.72Å
19H93.6Very high94.7Very high3 Ų334.7 Ų34.71%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-148.1153.6-178.669.296.9000111L14 G16 E21 T23 L63L14-H19 PolarHBondContact O-CD2 3.04Å; L14-H19 VanDerWaalsContact O-CD2 3.32Å; L14-H19 PolarHBondContact O-N 3.25Å; G16-H19 PolarHBondContact N-O 2.78Å; H19-E21 PolarHBondContact ND1-O 3.48Å; H19-T23 CarbonylContact C-O 3.49Å; H19-T23 VanDerWaalsContact CA-O 3.23Å; H19-T23 WeakPolarHBondContact CA-O 3.42Å; H19-T23 WeakPolarHBondContact CB-O 3.42Å; H19-L63 HydrophobicContact CB-CD1 3.71Å
20V88.2Confident94.7Very high68 Ų6840 Ų4041%0.41224%0.237SC..EExtended strand (participates in β ladder)trans-118115.6168.1-1790000106.7D22 T23V20-D22 PolarHBondContact O-N 3.48Å; V20-T23 PolarHBondContact N-O 3.31Å; V20-T23 PolarHBondContact O-N 3.44Å
21E84.2Confident94.7Very high137 Ų13740 Ų4064%0.6424%0.237SC*.THydrogen-bonded Turntrans51.9-124.3-169.5-56.1-173.717000110.6H19 T23H19-E21 PolarHBondContact ND1-O 3.48Å; E21-T23 VanDerWaalsContact C-N 3.34Å
22D86.5Confident94.7Very high120 Ų12040 Ų4064%0.64224%0.237SC*.THydrogen-bonded Turntrans-94.719.2-179-59.8-45.9000113V20 L63V20-D22 PolarHBondContact O-N 3.48Å; D22-L63 WeakPolarHBondContact O-CD2 3.33Å
23T91Very high94.6Very high100 Ų10043 Ų4361%0.61325%0.254SS*.EExtended strand (participates in β ladder)trans-121.8124.6179.7-56.30000110.7H19 V20 E21H19-T23 CarbonylContact C-O 3.49Å; H19-T23 VanDerWaalsContact CA-O 3.23Å; H19-T23 WeakPolarHBondContact CA-O 3.42Å; H19-T23 WeakPolarHBondContact CB-O 3.42Å; V20-T23 PolarHBondContact N-O 3.31Å; V20-T23 PolarHBondContact O-N 3.44Å; E21-T23 VanDerWaalsContact C-N 3.34Å
24A96.2Very high94.6Very high19 Ų1947.1 Ų47.116%0.15727%0.269CS..EExtended strand (participates in β ladder)trans-65.5144.7173.800000111.2F65A24-F65 HydrophobicContact CB-CE2 3.97Å; A24-F65 HydrophobicContact CB-CZ 4.04Å
25V96.2Very high94.7Very high7 Ų747.1 Ų47.14%0.04227%0.268CS..PPolyproline II helixtrans-61.4131.6168.6169.70000108.1T17 L18 G27 A28 T225T17-V25 WeakPolarHBondContact O-CG2 3.47Å; L18-V25 PolarHBondContact O-N 2.69Å; V25-G27 PolarHBondContact O-N 3.1Å; V25-A28 HydrophobicContact CB-CB 4.08Å; V25-A28 WeakPolarHBondContact O-CB 3.42Å; V25-A28 PolarHBondContact O-N 3.29Å; V25-T225 HydrophobicContact CG1-CG2 4.08Å; V25-T225 HydrophobicContact CG2-CG2 4.27Å
26P97.7Very high94.9Very high119 Ų11947.5 Ų47.577%0.77326%0.26SS*.THydrogen-bonded Turntrans-52.4125.5-176.7-29.635.9000112.7A28 P248P26-A28 VanDerWaalsContact C-N 3.29Å; P26-A28 PolarHBondContact O-N 2.98Å; P26-P248 WeakPolarHBondContact O-CG 3.38Å
27G97.8Very high95.1Very high34 Ų3455.2 Ų55.235%0.35130%0.295SS..THydrogen-bonded Turntrans77.73.4-18000000115.5V25 Q29 D30 A31V25-G27 PolarHBondContact O-N 3.1Å; G27-Q29 PolarHBondContact O-N 2.8Å; G27-D30 PolarHBondContact O-N 2.91Å; G27-A31 WeakPolarHBondContact O-CB 3.31Å; G27-A31 PolarHBondContact O-N 3.16Å
28A97.9Very high95Very high0 Ų056.4 Ų56.40%031%0.305CS..Hα-helixtrans-65.1-36.7-176.600000113.3L18 V25 P26 A31 L32 F65 F247L18-A28 HydrophobicContact CD2-CB 4.35Å; V25-A28 HydrophobicContact CB-CB 4.08Å; V25-A28 WeakPolarHBondContact O-CB 3.42Å; V25-A28 PolarHBondContact O-N 3.29Å; P26-A28 VanDerWaalsContact C-N 3.29Å; P26-A28 PolarHBondContact O-N 2.98Å; A28-A31 PolarHBondContact O-N 3.4Å; A28-L32 WeakPolarHBondContact O-CB 3.48Å; A28-L32 PolarHBondContact O-N 3Å; A28-F65 HydrophobicContact CB-CE1 3.82Å; A28-F65 HydrophobicContact CB-CZ 3.79Å; A28-F247 HydrophobicContact CB-CD1 3.95Å; A28-F247 WeakPolarHBondContact O-CE1 3.41Å
29Q97.9Very high94.8Very high45 Ų4562.2 Ų62.221%0.2135%0.345CS..Hα-helixtrans-63.2-49.5177.3-61.588.6-23.700111.1G27 A31 L32 N33 L63 F65G27-Q29 PolarHBondContact O-N 2.8Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.3Å; Q29-L32 PolarHBondContact O-N 3.45Å; Q29-N33 PolarHBondContact O-N 3.21Å; Q29-N33 PolarHBondContact O-ND2 3.21Å; Q29-L63 PolarHBondContact NE2-O 3.49Å; Q29-F65 HydrophobicContact CB-CE1 4.44Å; Q29-F65 HydrophobicContact CG-CD1 3.95Å; Q29-F65 HydrophobicContact CG-CE1 3.86Å; Q29-F65 HydrophobicContact CG-CG 4.33Å; Q29-F65 HydrophobicContact CG-CZ 4.14Å
30D98Very high94.9Very high110 Ų11062.9 Ų62.959%0.58835%0.35SS*.Hα-helixtrans-64.4-38.3178.8-66.9-25.2000111.8G27 N33 R34G27-D30 PolarHBondContact O-N 2.91Å; D30-N33 PolarHBondContact O-N 3Å; D30-R34 WeakPolarHBondContact O-CG 3.38Å; D30-R34 PolarHBondContact O-N 3.23Å
31A98.3Very high95.2Very high0 Ų061.3 Ų61.30%034%0.344CS..Hα-helixtrans-62.7-45.5173.600000111.9G27 A28 Q29 N33 R34 L35 F247 P248 V251G27-A31 WeakPolarHBondContact O-CB 3.31Å; G27-A31 PolarHBondContact O-N 3.16Å; A28-A31 PolarHBondContact O-N 3.4Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.3Å; A31-N33 VanDerWaalsContact C-N 3.33Å; A31-N33 PolarHBondContact O-N 3.13Å; A31-R34 PolarHBondContact O-N 3.45Å; A31-L35 PolarHBondContact O-N 3.31Å; A31-F247 HydrophobicContact CB-CD1 4.03Å; A31-F247 HydrophobicContact CB-CE1 3.81Å; A31-P248 HydrophobicContact CB-CB 3.94Å; A31-P248 HydrophobicContact CB-CG 3.98Å; A31-V251 HydrophobicContact CB-CB 4.16Å; A31-V251 HydrophobicContact CB-CG1 4.38Å; A31-V251 HydrophobicContact CB-CG2 4.05Å; A31-V251 WeakPolarHBondContact O-CG1 3.44Å
32L98.1Very high95.8Very high0 Ų055.3 Ų55.30%032%0.316CS..Hα-helixtrans-60.4-43.8176.6178.763.3000111.3I12 A28 Q29 R34 L35 R36 V42 F44 F65 F247I12-L32 HydrophobicContact CD1-CD1 4.12Å; A28-L32 WeakPolarHBondContact O-CB 3.48Å; A28-L32 PolarHBondContact O-N 3Å; Q29-L32 PolarHBondContact O-N 3.45Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 2.77Å; L32-L35 PolarHBondContact O-N 2.96Å; L32-R36 HydrophobicContact CD1-CG 4.49Å; L32-R36 WeakPolarHBondContact O-CG 3.27Å; L32-R36 PolarHBondContact O-N 2.92Å; L32-V42 HydrophobicContact CD1-CG1 4.2Å; L32-F44 HydrophobicContact CD1-CE1 4.04Å; L32-F44 HydrophobicContact CD1-CZ 3.89Å; L32-F44 HydrophobicContact CD2-CE1 4.15Å; L32-F44 HydrophobicContact CD2-CZ 3.85Å; L32-F65 HydrophobicContact CD2-CD1 3.82Å; L32-F247 HydrophobicContact CB-CE1 4.22Å; L32-F247 HydrophobicContact CB-CZ 4.42Å
33N97.4Very high96.4Very high65 Ų6550 Ų5035%0.34829%0.288SS..Hα-helixtrans-60.2-42.4177.5-72-21.7000112.1Q29 D30 A31 R36 Q37Q29-N33 PolarHBondContact O-N 3.21Å; Q29-N33 PolarHBondContact O-ND2 3.21Å; D30-N33 PolarHBondContact O-N 3Å; A31-N33 VanDerWaalsContact C-N 3.33Å; A31-N33 PolarHBondContact O-N 3.13Å; N33-R36 PolarHBondContact O-N 3.11Å; N33-Q37 WeakPolarHBondContact O-CG 3.14Å; N33-Q37 PolarHBondContact O-N 2.82Å
34R97.4Very high96.7Very high92 Ų9245.2 Ų45.235%0.34726%0.258SS..Hα-helixtrans-64.2-41.6174.4-70.8-176.3-63.31472.9112.2D30 A31 L32 R36 Q37 E252 L255D30-R34 WeakPolarHBondContact O-CG 3.38Å; D30-R34 PolarHBondContact O-N 3.23Å; A31-R34 PolarHBondContact O-N 3.45Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 2.77Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.18Å; R34-Q37 PolarHBondContact O-N 3.4Å; R34-E252 IonicContact CZ-OE2 3.71Å; R34-E252 IonicContact NH1-OE2 2.69Å; R34-E252 PolarHBondContact NH1-OE2 3.42Å; R34-E252 IonicContact NH2-OE2 3.91Å; R34-L255 HydrophobicContact CB-CD1 4.16Å
35L97Very high96.8Very high0 Ų044.3 Ų44.30%025%0.251CS..Hα-helixtrans-62.1-40.2176.9-173.763.8000111.6V10 I12 A31 L32 Q37 A38 V40 V42 V251 I254 L255V10-L35 HydrophobicContact CB-CD2 4.12Å; V10-L35 HydrophobicContact CG1-CD2 4.03Å; V10-L35 HydrophobicContact CG2-CD1 4.18Å; V10-L35 HydrophobicContact CG2-CD2 4.13Å; I12-L35 HydrophobicContact CD1-CD2 4Å; A31-L35 PolarHBondContact O-N 3.31Å; L32-L35 PolarHBondContact O-N 2.96Å; L35-Q37 VanDerWaalsContact C-N 3.25Å; L35-Q37 PolarHBondContact O-N 3.1Å; L35-A38 WeakPolarHBondContact O-CB 3.23Å; L35-A38 PolarHBondContact O-N 2.62Å; L35-A38 VanDerWaalsContact O-N 3.1Å; L35-V40 HydrophobicContact CD1-CG2 3.83Å; L35-V40 HydrophobicContact CG-CG2 4.2Å; L35-V42 HydrophobicContact CD2-CG2 3.92Å; L35-V42 HydrophobicContact CG-CG2 4.16Å; L35-V251 HydrophobicContact CB-CG1 4.01Å; L35-V251 HydrophobicContact CB-CG2 4.39Å; L35-V251 HydrophobicContact CD1-CG1 4.5Å; L35-V251 HydrophobicContact CD2-CG2 4.33Å; L35-I254 HydrophobicContact CD1-CG2 4.18Å; L35-L255 HydrophobicContact CD1-CD2 4.43Å
36R95.3Very high96.7Very high74 Ų7444.6 Ų44.628%0.27925%0.253SS..Hα-helixtrans-65.1-24.6176.6-74.7-174.6174.8-714.1114.1L32 N33 R34 A38 D66 E71L32-R36 HydrophobicContact CD1-CG 4.49Å; L32-R36 WeakPolarHBondContact O-CG 3.27Å; L32-R36 PolarHBondContact O-N 2.92Å; N33-R36 PolarHBondContact O-N 3.11Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.18Å; R36-A38 PolarHBondContact O-N 2.86Å; R36-D66 PolarHBondContact NE-O 3.48Å; R36-D66 VanDerWaalsContact NE-O 3.09Å; R36-D66 PolarHBondContact NH2-O 2.91Å; R36-E71 IonicContact CZ-OE1 3.1Å; R36-E71 IonicContact CZ-OE2 3.15Å; R36-E71 IonicContact NH1-OE1 3.79Å; R36-E71 PolarHBondContact NH1-OE1 3.11Å; R36-E71 IonicContact NH1-OE2 2.7Å; R36-E71 VanDerWaalsContact NH2-CD 3.29Å; R36-E71 IonicContact NH2-OE1 2.76Å; R36-E71 PolarHBondContact NH2-OE1 2.9Å; R36-E71 VanDerWaalsContact NH2-OE1 3.15Å; R36-E71 IonicContact NH2-OE2 3.75Å; R36-E71 PolarHBondContact NH2-OE2 2.73Å
37Q95.9Very high96.5Very high166 Ų16640.4 Ų40.478%0.77622%0.224SC*.THydrogen-bonded Turntrans-76.4-11.8175.2-70174.51.300112.6N33 R34 L35N33-Q37 WeakPolarHBondContact O-CG 3.14Å; N33-Q37 PolarHBondContact O-N 2.82Å; R34-Q37 PolarHBondContact O-N 3.4Å; L35-Q37 VanDerWaalsContact C-N 3.25Å; L35-Q37 PolarHBondContact O-N 3.1Å
38A94.4Very high96.1Very high25 Ų2539.4 Ų39.421%0.20721%0.211CC..SBendtrans-90.5164177.300000112.1L35 R36 V40 L255 L259L35-A38 WeakPolarHBondContact O-CB 3.23Å; L35-A38 PolarHBondContact O-N 2.62Å; L35-A38 VanDerWaalsContact O-N 3.1Å; R36-A38 PolarHBondContact O-N 2.86Å; A38-V40 HydrophobicContact CB-CG2 4.38Å; A38-V40 PolarHBondContact O-N 2.61Å; A38-L255 HydrophobicContact CB-CD2 3.66Å; A38-L259 HydrophobicContact CB-CD1 3.6Å
39S91.3Very high95.5Very high122 Ų12239.7 Ų39.785%0.85321%0.213SC*.SBendtrans-79.751.9-178.7-55.30000113.4
40V95.3Very high94.9Very high18 Ų1840.4 Ų40.411%0.10922%0.215CC..  trans-129.7144.3175.6-68.70000111.5L7 K8 V10 L35 A38 L259L7-V40 HydrophobicContact CD2-CG1 4.35Å; L7-V40 HydrophobicContact CG-CG1 4.39Å; K8-V40 WeakPolarHBondContact O-CA 3.49Å; V10-V40 HydrophobicContact CG2-CB 4.42Å; V10-V40 HydrophobicContact CG2-CG2 4.16Å; L35-V40 HydrophobicContact CD1-CG2 3.83Å; L35-V40 HydrophobicContact CG-CG2 4.2Å; A38-V40 HydrophobicContact CB-CG2 4.38Å; A38-V40 PolarHBondContact O-N 2.61Å; V40-L259 HydrophobicContact CG1-CD1 3.81Å; V40-L259 HydrophobicContact CG1-CD2 3.39Å; V40-L259 HydrophobicContact CG1-CG 4.2Å; V40-L259 HydrophobicContact CG2-CD1 4.37Å
41A96.4Very high94.3Very high35 Ų3538.2 Ų38.229%0.28920%0.202SC..EExtended strand (participates in β ladder)trans-75.9144.2167.300000110.6K8 A9 V10 L192K8-A41 PolarHBondContact O-N 2.95Å; A9-A41 CarbonylContact C-O 3.44Å; A9-A41 VanDerWaalsContact CA-O 3.31Å; A9-A41 WeakPolarHBondContact CA-O 3.5Å; A9-A41 HydrophobicContact CB-CB 4.46Å; V10-A41 PolarHBondContact N-O 2.78Å; A41-L192 HydrophobicContact CB-CD1 3.94Å; A41-L192 HydrophobicContact CB-CD2 3.96Å; A41-L192 HydrophobicContact CB-CG 4.39Å
42V96.8Very high94Very high10 Ų1038.2 Ų38.26%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-114.8133.5174.6175.40000108.9I12 L32 L35 F44I12-V42 HydrophobicContact CD1-CG1 3.5Å; I12-V42 HydrophobicContact CG1-CG1 4.37Å; L32-V42 HydrophobicContact CD1-CG1 4.2Å; L35-V42 HydrophobicContact CD2-CG2 3.92Å; L35-V42 HydrophobicContact CG-CG2 4.16Å; V42-F44 HydrophobicContact CG1-CE1 4.07Å; V42-F44 HydrophobicContact CG1-CE2 4.08Å; V42-F44 HydrophobicContact CG1-CZ 3.76Å
43K97.8Very high93.8Very high8 Ų840.2 Ų40.24%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-135.4128.8170.7-175.888.8102.5171.90108.9V10 L11 I12 K70 E71 F73 A188 D191 L192V10-K43 PolarHBondContact O-N 2.87Å; L11-K43 VanDerWaalsContact CA-O 3.31Å; L11-K43 WeakPolarHBondContact CA-O 3.32Å; L11-K43 HydrophobicContact CD2-CB 3.64Å; L11-K43 HydrophobicContact CD2-CG 4.14Å; I12-K43 PolarHBondContact N-O 3.27Å; K43-K70 PolarHBondContact NZ-O 3.24Å; K43-K70 VanDerWaalsContact NZ-O 3.16Å; K43-E71 CarbonylContact C-O 3.55Å; K43-E71 WeakPolarHBondContact CA-O 3.37Å; K43-E71 WeakPolarHBondContact CD-O 3.43Å; K43-E71 WeakPolarHBondContact CG-O 3.46Å; K43-F73 HydrophobicContact CD-CB 4.31Å; K43-F73 HydrophobicContact CG-CB 4.28Å; K43-A188 WeakPolarHBondContact CE-O 3.12Å; K43-D191 IonicContact NZ-OD2 3.71Å; K43-D191 PolarHBondContact NZ-OD2 3.34Å; K43-L192 HydrophobicContact CB-CD1 4.12Å
44F98Very high93.6Very high0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-88.6133.1177.7-55.6-78.4000109.7I12 L14 L18 L32 V42 L67 E71 I72 F73I12-F44 HydrophobicContact CB-CD1 4.14Å; I12-F44 HydrophobicContact CD1-CE1 4.14Å; I12-F44 HydrophobicContact CG2-CD1 4.46Å; I12-F44 CarbonylContact O-C 3.54Å; I12-F44 WeakPolarHBondContact O-CA 3.3Å; L14-F44 HydrophobicContact CD2-CB 3.8Å; L14-F44 HydrophobicContact CD2-CD1 3.91Å; L14-F44 HydrophobicContact CD2-CG 4.14Å; L14-F44 HydrophobicContact CG-CB 4.4Å; L18-F44 HydrophobicContact CD1-CD1 3.76Å; L18-F44 HydrophobicContact CD1-CE1 3.71Å; L32-F44 HydrophobicContact CD1-CE1 4.04Å; L32-F44 HydrophobicContact CD1-CZ 3.89Å; L32-F44 HydrophobicContact CD2-CE1 4.15Å; L32-F44 HydrophobicContact CD2-CZ 3.85Å; V42-F44 HydrophobicContact CG1-CE1 4.07Å; V42-F44 HydrophobicContact CG1-CE2 4.08Å; V42-F44 HydrophobicContact CG1-CZ 3.76Å; F44-L67 HydrophobicContact CD2-CB 4.15Å; F44-L67 HydrophobicContact CD2-CD1 4.32Å; F44-L67 HydrophobicContact CE2-CB 3.48Å; F44-L67 VanDerWaalsContact CE2-CB 3.48Å; F44-L67 HydrophobicContact CE2-CD1 4.44Å; F44-L67 HydrophobicContact CE2-CG 4.49Å; F44-L67 HydrophobicContact CZ-CB 4.01Å; F44-E71 HydrophobicContact CD2-CB 3.8Å; F44-E71 HydrophobicContact CE2-CB 3.97Å; F44-E71 PolarHBondContact N-O 2.86Å; F44-I72 HydrophobicContact CB-CG1 4.39Å; F44-F73 PolarHBondContact O-N 3.46Å
45V97.6Very high93.4Very high0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-126.2143.1-176.6-64.80000111.6L11 I12 D13 L14 F73 F184 A188 M201L11-V45 HydrophobicContact CB-CG1 4.46Å; L11-V45 HydrophobicContact CB-CG2 4.37Å; L11-V45 HydrophobicContact CD1-CG1 4.35Å; L11-V45 HydrophobicContact CD2-CG1 4.33Å; I12-V45 PolarHBondContact O-N 3.19Å; D13-V45 WeakPolarHBondContact CA-O 3.1Å; L14-V45 PolarHBondContact N-O 3.36Å; V45-F73 VanDerWaalsContact CA-O 3.28Å; V45-F73 WeakPolarHBondContact CA-O 3.28Å; V45-F73 HydrophobicContact CG1-CB 4.35Å; V45-F184 HydrophobicContact CB-CE1 3.77Å; V45-F184 HydrophobicContact CB-CZ 3.89Å; V45-F184 HydrophobicContact CG1-CE1 4.08Å; V45-F184 HydrophobicContact CG1-CZ 4.34Å; V45-F184 HydrophobicContact CG2-CE1 4.37Å; V45-A188 HydrophobicContact CG1-CB 3.84Å; V45-M201 HydrophobicContact CG2-CE 3.62Å; V45-M201 HydrophobicContact CG2-SD 3.81Å
46T95.3Very high93.2Very high14 Ų1439.4 Ų39.49%0.08621%0.206CC..EExtended strand (participates in β ladder)trans-155.9144.4176-177.60000113.2L14 T48 L56 F73 T74 S75L14-T46 HydrophobicContact CD1-CG2 3.76Å; T46-T48 HydrophobicContact CG2-CG2 4Å; T46-T48 PolarHBondContact O-N 3.42Å; T46-L56 HydrophobicContact CG2-CD1 3.71Å; T46-F73 PolarHBondContact N-O 2.93Å; T46-T74 HydrophobicContact CG2-CG2 3.86Å; T46-T74 CarbonylContact O-C 3.54Å; T46-T74 WeakPolarHBondContact O-CA 3.37Å; T46-S75 PolarHBondContact O-N 2.91Å
47N92.3Very high93.1Very high30 Ų3036.8 Ų36.816%0.1620%0.197CC..  trans-86.159.2168.8-92.79.1000110.7S75 G178 K179N47-S75 VanDerWaalsContact CA-OG 3.29Å; N47-S75 WeakPolarHBondContact CA-OG 3.27Å; N47-G178 VanDerWaalsContact OD1-CA 3.26Å; N47-G178 WeakPolarHBondContact OD1-CA 3.2Å; N47-K179 WeakPolarHBondContact ND2-CB 3.33Å; N47-K179 PolarHBondContact ND2-N 2.84Å; N47-K179 PolarHBondContact ND2-O 2.75Å; N47-K179 PolarHBondContact OD1-N 3.37Å
48T89.2Confident93Very high13 Ų1331.9 Ų31.98%0.0817%0.174CC..  trans-82147.1171.7-171.50000110.9T46 E51 L56 T74 S75 L76T46-T48 HydrophobicContact CG2-CG2 4Å; T46-T48 PolarHBondContact O-N 3.42Å; T48-E51 WeakPolarHBondContact CG2-O 3.45Å; T48-E51 PolarHBondContact OG1-N 3.33Å; T48-L56 HydrophobicContact CG2-CD1 3.77Å; T48-T74 HydrophobicContact CG2-CG2 3.79Å; T48-S75 PolarHBondContact N-OG 2.97Å; T48-S75 PolarHBondContact O-OG 2.94Å; T48-L76 HydrophobicContact CG2-CD1 4.2Å; T48-L76 HydrophobicContact CG2-CG 4.41Å
49T85.2Confident92.9Very high7 Ų732.8 Ų32.84%0.04317%0.172CC..SBendtrans-133-2.3173.9-179.40000113G116 L117 H144T49-G116 WeakPolarHBondContact OG1-CA 3.47Å; T49-L117 HydrophobicContact CG2-CB 3.42Å; T49-L117 VanDerWaalsContact CG2-CB 3.42Å; T49-L117 PolarHBondContact OG1-N 3.19Å; T49-H144 VanDerWaalsContact CG2-NE2 3.31Å; T49-H144 WeakPolarHBondContact CG2-NE2 3.1Å
50K84.9Confident93.1Very high60 Ų6027 Ų2726%0.26113%0.132SC..SBendtrans-119.5-24.9-174.7-65.3-178.6-73-178.90112.8E95 S97 A98 L117K50-E95 WeakPolarHBondContact CD-OE1 3.46Å; K50-E95 HydrophobicContact CG-CB 4.41Å; K50-E95 HydrophobicContact CG-CG 4.14Å; K50-S97 CarbonylContact O-C 3.6Å; K50-S97 VanDerWaalsContact O-CB 3.32Å; K50-S97 WeakPolarHBondContact O-CB 3.33Å; K50-S97 PolarHBondContact O-OG 3.1Å; K50-A98 PolarHBondContact O-N 3.23Å; K50-L117 HydrophobicContact CD-CD2 4.01Å; K50-L117 HydrophobicContact CD-CG 4.4Å
51E86.6Confident93.1Very high64 Ų6430.6 Ų30.630%0.29915%0.148SC..SBendtrans-115.1128.3-172.4-61.2179.7129.700109.9T48 L56 R59 L76T48-E51 WeakPolarHBondContact CG2-O 3.45Å; T48-E51 PolarHBondContact OG1-N 3.33Å; E51-L56 HydrophobicContact CB-CD2 4.12Å; E51-L56 HydrophobicContact CB-CG 4.11Å; E51-L56 VanDerWaalsContact OE2-CD2 3.31Å; E51-L56 WeakPolarHBondContact OE2-CD2 3.5Å; E51-R59 IonicContact OE1-CZ 2.62Å; E51-R59 IonicContact OE1-NH1 3.38Å; E51-R59 PolarHBondContact OE1-NH1 3.28Å; E51-R59 IonicContact OE2-CZ 3.9Å; E51-R59 VanDerWaalsContact OE2-CZ 3.31Å; E51-R59 IonicContact OE2-NH1 2.71Å; E51-R59 PolarHBondContact OE2-NH1 3.07Å; E51-R59 IonicContact OE2-NH2 2.63Å; E51-R59 PolarHBondContact OE2-NH2 2.86Å; E51-R59 VanDerWaalsContact OE2-NH2 3.1Å; E51-L76 WeakPolarHBondContact O-CD1 3.42Å
52S92.2Very high93Very high0 Ų037.5 Ų37.50%017%0.166CC..  trans-60.8160.2169.4710000112.1R54 N55 L56 S97 E100 D101S52-R54 VanDerWaalsContact C-N 3.28Å; S52-R54 PolarHBondContact O-N 3.05Å; S52-N55 PolarHBondContact O-N 3.33Å; S52-N55 PolarHBondContact OG-N 2.82Å; S52-N55 PolarHBondContact OG-ND2 3.32Å; S52-L56 WeakPolarHBondContact O-CG 3.43Å; S52-L56 PolarHBondContact O-N 3.13Å; S52-S97 WeakPolarHBondContact CB-O 3.29Å; S52-S97 PolarHBondContact N-O 3.41Å; S52-E100 WeakPolarHBondContact CB-OE2 3.34Å; S52-E100 PolarHBondContact OG-OE2 3.07Å; S52-D101 WeakPolarHBondContact CA-OD1 3.47Å; S52-D101 WeakPolarHBondContact CB-OD1 3.37Å
53K93.5Very high93Very high41 Ų4138.1 Ų38.118%0.17817%0.169CC..Hα-helixtrans-57.9-40.3176.3-168.3178.4-61.5-166.60112.4L56 L57 E69 I72 S77 D101K53-L56 PolarHBondContact O-N 3.04Å; K53-L57 WeakPolarHBondContact O-CB 3.25Å; K53-L57 PolarHBondContact O-N 3.37Å; K53-E69 HydrophobicContact CD-CG 3.62Å; K53-E69 HydrophobicContact CG-CG 3.88Å; K53-I72 HydrophobicContact CD-CB 4.18Å; K53-I72 HydrophobicContact CD-CG2 4.48Å; K53-I72 WeakPolarHBondContact CE-O 3.48Å; K53-I72 HydrophobicContact CG-CB 3.9Å; K53-I72 HydrophobicContact CG-CD1 4.26Å; K53-I72 HydrophobicContact CG-CG2 3.91Å; K53-I72 PolarHBondContact NZ-O 2.79Å; K53-S77 WeakPolarHBondContact CE-OG 3.31Å; K53-S77 PolarHBondContact NZ-OG 3.46Å; K53-S77 VanDerWaalsContact NZ-OG 3.13Å; K53-D101 PolarHBondContact N-OD1 3.14Å; K53-D101 PolarHBondContact N-OD2 3.02Å
54R93.7Very high92.9Very high92 Ų9244 Ų4435%0.34720%0.201SC..Hα-helixtrans-62.5-47.5176.3-175.1-17756.970.415.7111.8S52 L56 L57 E58 E100S52-R54 VanDerWaalsContact C-N 3.28Å; S52-R54 PolarHBondContact O-N 3.05Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 3.47Å; R54-L57 WeakPolarHBondContact O-CB 3.41Å; R54-L57 PolarHBondContact O-N 2.74Å; R54-E58 IonicContact CZ-OE1 3.96Å; R54-E58 IonicContact NH1-OE1 2.66Å; R54-E58 PolarHBondContact NH1-OE1 3.36Å; R54-E58 IonicContact NH1-OE2 2.71Å; R54-E58 WeakPolarHBondContact O-CG 3.1Å; R54-E58 PolarHBondContact O-N 3.06Å; R54-E100 IonicContact CZ-OE1 3.25Å; R54-E100 IonicContact CZ-OE2 2.78Å; R54-E100 IonicContact NE-OE1 2.71Å; R54-E100 PolarHBondContact NE-OE1 2.83Å; R54-E100 IonicContact NE-OE2 2.76Å; R54-E100 PolarHBondContact NE-OE2 3.32Å; R54-E100 IonicContact NH2-OE1 3.87Å; R54-E100 IonicContact NH2-OE2 3.69Å; R54-E100 PolarHBondContact NH2-OE2 2.97Å
55N92Very high92.8Very high47 Ų4744.3 Ų44.325%0.25120%0.202SC..Hα-helixtrans-62.7-39.1179-71.3-19.4000111.8S52 R59S52-N55 PolarHBondContact O-N 3.33Å; S52-N55 PolarHBondContact OG-N 2.82Å; S52-N55 PolarHBondContact OG-ND2 3.32Å; N55-R59 PolarHBondContact O-N 2.87Å; N55-R59 VanDerWaalsContact O-N 3.09Å
56L92.8Very high92.6Very high1 Ų149.3 Ų49.31%0.00523%0.229CC..Hα-helixtrans-61.6-46.5173.2-74177000112.2T46 T48 E51 S52 K53 R54 R59 L60 T74T46-L56 HydrophobicContact CG2-CD1 3.71Å; T48-L56 HydrophobicContact CG2-CD1 3.77Å; E51-L56 HydrophobicContact CB-CD2 4.12Å; E51-L56 HydrophobicContact CB-CG 4.11Å; E51-L56 VanDerWaalsContact OE2-CD2 3.31Å; E51-L56 WeakPolarHBondContact OE2-CD2 3.5Å; S52-L56 WeakPolarHBondContact O-CG 3.43Å; S52-L56 PolarHBondContact O-N 3.13Å; K53-L56 PolarHBondContact O-N 3.04Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 3.47Å; L56-R59 PolarHBondContact O-N 2.82Å; L56-L60 WeakPolarHBondContact O-CG 3.26Å; L56-L60 PolarHBondContact O-N 3.12Å; L56-T74 HydrophobicContact CD1-CG2 3.68Å
57L94.8Very high92.4Very high20 Ų2048.9 Ų48.911%0.10523%0.226CC..Hα-helixtrans-58-51.8177.9176.263.3000111.2K53 R54 R59 L60 Q61 L67 E69 I72K53-L57 WeakPolarHBondContact O-CB 3.25Å; K53-L57 PolarHBondContact O-N 3.37Å; R54-L57 WeakPolarHBondContact O-CB 3.41Å; R54-L57 PolarHBondContact O-N 2.74Å; L57-R59 VanDerWaalsContact C-N 3.29Å; L57-R59 PolarHBondContact O-N 2.92Å; L57-L60 PolarHBondContact O-N 3.16Å; L57-Q61 HydrophobicContact CD1-CG 4.15Å; L57-Q61 HydrophobicContact CG-CG 4.46Å; L57-Q61 WeakPolarHBondContact O-CB 3.17Å; L57-Q61 WeakPolarHBondContact O-CG 3.23Å; L57-Q61 PolarHBondContact O-N 3.35Å; L57-L67 HydrophobicContact CD1-CD1 3.47Å; L57-L67 VanDerWaalsContact CD1-CD1 3.47Å; L57-L67 HydrophobicContact CD1-CG 3.66Å; L57-L67 WeakPolarHBondContact CD1-O 3.4Å; L57-E69 HydrophobicContact CD2-CB 3.88Å; L57-E69 HydrophobicContact CD2-CG 4.4Å; L57-I72 HydrophobicContact CB-CD1 3.84Å; L57-I72 HydrophobicContact CD1-CD1 4.19Å
58E94.1Very high92.5Very high62 Ų6252.1 Ų52.129%0.2924%0.24SC..Hα-helixtrans-58.5-41.1179.6-72.9178.3-162.700112R54 Q61 R62R54-E58 IonicContact CZ-OE1 3.96Å; R54-E58 IonicContact NH1-OE1 2.66Å; R54-E58 PolarHBondContact NH1-OE1 3.36Å; R54-E58 IonicContact NH1-OE2 2.71Å; R54-E58 WeakPolarHBondContact O-CG 3.1Å; R54-E58 PolarHBondContact O-N 3.06Å; E58-Q61 PolarHBondContact O-N 2.77Å; E58-R62 WeakPolarHBondContact O-CG 3.23Å; E58-R62 PolarHBondContact O-N 3.32Å; E58-R62 IonicContact OE2-NH2 3.04Å; E58-R62 PolarHBondContact OE2-NH2 3.48Å
59R92.2Very high92.6Very high45 Ų4556.4 Ų56.417%0.1726%0.259CS..Hα-helixtrans-62.3-48.4176.5-176.817667.3-152.5-4.2111.4E51 N55 L56 L57 Q61 R62 L63E51-R59 IonicContact OE1-CZ 2.62Å; E51-R59 IonicContact OE1-NH1 3.38Å; E51-R59 PolarHBondContact OE1-NH1 3.28Å; E51-R59 IonicContact OE2-CZ 3.9Å; E51-R59 VanDerWaalsContact OE2-CZ 3.31Å; E51-R59 IonicContact OE2-NH1 2.71Å; E51-R59 PolarHBondContact OE2-NH1 3.07Å; E51-R59 IonicContact OE2-NH2 2.63Å; E51-R59 PolarHBondContact OE2-NH2 2.86Å; E51-R59 VanDerWaalsContact OE2-NH2 3.1Å; N55-R59 PolarHBondContact O-N 2.87Å; N55-R59 VanDerWaalsContact O-N 3.09Å; L56-R59 PolarHBondContact O-N 2.82Å; L57-R59 VanDerWaalsContact C-N 3.29Å; L57-R59 PolarHBondContact O-N 2.92Å; R59-Q61 VanDerWaalsContact C-N 3.31Å; R59-Q61 PolarHBondContact O-N 3.07Å; R59-R62 WeakPolarHBondContact O-CB 3.04Å; R59-R62 PolarHBondContact O-N 3.03Å; R59-L63 PolarHBondContact O-N 2.93Å
60L94.3Very high93Very high0 Ų063.1 Ų63.10%029%0.288CS..Hα-helixtrans-66-35.1-179-67170000111.9L14 L56 L57 L63 N64 F65 L67L14-L60 HydrophobicContact CD1-CD1 3.95Å; L14-L60 HydrophobicContact CD2-CD1 3.64Å; L14-L60 HydrophobicContact CD2-CD2 4.32Å; L14-L60 HydrophobicContact CG-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CG 3.26Å; L56-L60 PolarHBondContact O-N 3.12Å; L57-L60 PolarHBondContact O-N 3.16Å; L60-L63 CarbonylContact O-C 3.54Å; L60-L63 WeakPolarHBondContact O-CA 3.43Å; L60-L63 WeakPolarHBondContact O-CB 3.25Å; L60-L63 PolarHBondContact O-N 2.7Å; L60-L63 VanDerWaalsContact O-N 3.11Å; L60-N64 PolarHBondContact O-N 2.84Å; L60-F65 HydrophobicContact CB-CB 4.44Å; L60-F65 HydrophobicContact CD2-CD2 4.26Å; L60-F65 PolarHBondContact O-N 3.04Å; L60-F65 VanDerWaalsContact O-N 3.1Å; L60-L67 HydrophobicContact CB-CD1 4.26Å; L60-L67 HydrophobicContact CB-CD2 3.52Å; L60-L67 HydrophobicContact CB-CG 4.46Å; L60-L67 HydrophobicContact CD1-CD1 3.68Å; L60-L67 HydrophobicContact CD1-CD2 4.13Å; L60-L67 HydrophobicContact CG-CD2 4.45Å
61Q95.2Very high93.5Very high94 Ų9461.5 Ų61.544%0.43928%0.281SS..Hα-helixtrans-65-38.1173.3-73.9176.7-18.700112.3L57 E58 R59 L63 N64L57-Q61 HydrophobicContact CD1-CG 4.15Å; L57-Q61 HydrophobicContact CG-CG 4.46Å; L57-Q61 WeakPolarHBondContact O-CB 3.17Å; L57-Q61 WeakPolarHBondContact O-CG 3.23Å; L57-Q61 PolarHBondContact O-N 3.35Å; E58-Q61 PolarHBondContact O-N 2.77Å; R59-Q61 VanDerWaalsContact C-N 3.31Å; R59-Q61 PolarHBondContact O-N 3.07Å; Q61-L63 PolarHBondContact O-N 3.19Å; Q61-N64 WeakPolarHBondContact O-CA 3.32Å; Q61-N64 PolarHBondContact O-N 3.43Å
62R95.8Very high94Very high179 Ų17958.5 Ų58.568%0.67527%0.267SS*.Hα-helixtrans-63.7-24.5172-69.2174.8-147.6154.46.7112.9E58 R59 N64E58-R62 WeakPolarHBondContact O-CG 3.23Å; E58-R62 PolarHBondContact O-N 3.32Å; E58-R62 IonicContact OE2-NH2 3.04Å; E58-R62 PolarHBondContact OE2-NH2 3.48Å; R59-R62 WeakPolarHBondContact O-CB 3.04Å; R59-R62 PolarHBondContact O-N 3.03Å; R62-N64 PolarHBondContact O-N 3.24Å
63L95.1Very high94.2Very high24 Ų2459.1 Ų59.113%0.12627%0.27CS..THydrogen-bonded Turntrans-84.99.5171.4-60.9179.3000113H19 D22 Q29 R59 L60 Q61 F65H19-L63 HydrophobicContact CB-CD1 3.71Å; D22-L63 WeakPolarHBondContact O-CD2 3.33Å; Q29-L63 PolarHBondContact NE2-O 3.49Å; R59-L63 PolarHBondContact O-N 2.93Å; L60-L63 CarbonylContact O-C 3.54Å; L60-L63 WeakPolarHBondContact O-CA 3.43Å; L60-L63 WeakPolarHBondContact O-CB 3.25Å; L60-L63 PolarHBondContact O-N 2.7Å; L60-L63 VanDerWaalsContact O-N 3.11Å; Q61-L63 PolarHBondContact O-N 3.19Å; L63-F65 VanDerWaalsContact C-N 3.29Å; L63-F65 HydrophobicContact CB-CD2 3.76Å; L63-F65 HydrophobicContact CB-CE2 3.91Å; L63-F65 HydrophobicContact CD1-CE2 4.41Å; L63-F65 PolarHBondContact O-N 3.32Å
64N96Very high94.4Very high132 Ų13257.2 Ų57.271%0.70626%0.262SS*.THydrogen-bonded Turntrans62.728.1-179.5-52.6-59.4000114.3L60 Q61 R62L60-N64 PolarHBondContact O-N 2.84Å; Q61-N64 WeakPolarHBondContact O-CA 3.32Å; Q61-N64 PolarHBondContact O-N 3.43Å; R62-N64 PolarHBondContact O-N 3.24Å
65F96.4Very high94.5Very high6 Ų652.8 Ų52.83%0.02625%0.245CC..  trans-82.9130.4166.7-69.1-78.4000110.2L18 A24 A28 Q29 L32 L60 L63 L67L18-F65 HydrophobicContact CB-CE1 4.33Å; L18-F65 HydrophobicContact CB-CE2 4.42Å; L18-F65 HydrophobicContact CB-CZ 3.94Å; L18-F65 HydrophobicContact CD2-CE1 4.1Å; L18-F65 HydrophobicContact CD2-CZ 4.48Å; L18-F65 WeakPolarHBondContact O-CZ 3.25Å; A24-F65 HydrophobicContact CB-CE2 3.97Å; A24-F65 HydrophobicContact CB-CZ 4.04Å; A28-F65 HydrophobicContact CB-CE1 3.82Å; A28-F65 HydrophobicContact CB-CZ 3.79Å; Q29-F65 HydrophobicContact CB-CE1 4.44Å; Q29-F65 HydrophobicContact CG-CD1 3.95Å; Q29-F65 HydrophobicContact CG-CE1 3.86Å; Q29-F65 HydrophobicContact CG-CG 4.33Å; Q29-F65 HydrophobicContact CG-CZ 4.14Å; L32-F65 HydrophobicContact CD2-CD1 3.82Å; L60-F65 HydrophobicContact CB-CB 4.44Å; L60-F65 HydrophobicContact CD2-CD2 4.26Å; L60-F65 PolarHBondContact O-N 3.04Å; L60-F65 VanDerWaalsContact O-N 3.1Å; L63-F65 VanDerWaalsContact C-N 3.29Å; L63-F65 HydrophobicContact CB-CD2 3.76Å; L63-F65 HydrophobicContact CB-CE2 3.91Å; L63-F65 HydrophobicContact CD1-CE2 4.41Å; L63-F65 PolarHBondContact O-N 3.32Å; F65-L67 HydrophobicContact CB-CD2 3.38Å; F65-L67 WeakPolarHBondContact O-CD2 3.44Å; F65-L67 PolarHBondContact O-N 2.98Å
66D92.4Very high94.8Very high104 Ų10450.6 Ų50.656%0.55623%0.233SC*.  trans-85103.1170.7-176.419.8000109.9R36R36-D66 PolarHBondContact NE-O 3.48Å; R36-D66 VanDerWaalsContact NE-O 3.09Å; R36-D66 PolarHBondContact NH2-O 2.91Å
67L93Very high95Very high5 Ų551.1 Ų51.13%0.02624%0.237CC..  trans-146156176.162.7138000112F44 L57 L60 F65 E71 I72F44-L67 HydrophobicContact CD2-CB 4.15Å; F44-L67 HydrophobicContact CD2-CD1 4.32Å; F44-L67 HydrophobicContact CE2-CB 3.48Å; F44-L67 VanDerWaalsContact CE2-CB 3.48Å; F44-L67 HydrophobicContact CE2-CD1 4.44Å; F44-L67 HydrophobicContact CE2-CG 4.49Å; F44-L67 HydrophobicContact CZ-CB 4.01Å; L57-L67 HydrophobicContact CD1-CD1 3.47Å; L57-L67 VanDerWaalsContact CD1-CD1 3.47Å; L57-L67 HydrophobicContact CD1-CG 3.66Å; L57-L67 WeakPolarHBondContact CD1-O 3.4Å; L60-L67 HydrophobicContact CB-CD1 4.26Å; L60-L67 HydrophobicContact CB-CD2 3.52Å; L60-L67 HydrophobicContact CB-CG 4.46Å; L60-L67 HydrophobicContact CD1-CD1 3.68Å; L60-L67 HydrophobicContact CD1-CD2 4.13Å; L60-L67 HydrophobicContact CG-CD2 4.45Å; F65-L67 HydrophobicContact CB-CD2 3.38Å; F65-L67 WeakPolarHBondContact O-CD2 3.44Å; F65-L67 PolarHBondContact O-N 2.98Å; L67-E71 WeakPolarHBondContact CA-OE2 3.33Å; L67-I72 HydrophobicContact CD1-CD1 3.59Å; L67-I72 HydrophobicContact CD1-CG1 3.81Å
68Q92.7Very high95.1Very high99 Ų9950.1 Ų50.146%0.46323%0.232SC..  trans-110.9151.3177-58.9-176.2-6.700110.4K70 E71Q68-K70 VanDerWaalsContact C-N 3.26Å; Q68-K70 HydrophobicContact CB-CG 4.21Å; Q68-K70 PolarHBondContact O-N 3.49Å; Q68-E71 HydrophobicContact CB-CG 4.25Å; Q68-E71 PolarHBondContact N-OE2 3.32Å; Q68-E71 WeakPolarHBondContact O-CB 3.11Å; Q68-E71 PolarHBondContact O-N 3.21Å
69E92.9Very high95.3Very high103 Ų10347.2 Ų47.248%0.48122%0.218SC..G310 helixtrans-54.2-41-179.2-164.6179.1167.300113.2K53 L57 E71 I72K53-E69 HydrophobicContact CD-CG 3.62Å; K53-E69 HydrophobicContact CG-CG 3.88Å; L57-E69 HydrophobicContact CD2-CB 3.88Å; L57-E69 HydrophobicContact CD2-CG 4.4Å; E69-E71 PolarHBondContact O-N 3.13Å; E69-E71 VanDerWaalsContact O-N 3.11Å; E69-I72 PolarHBondContact O-N 2.93Å
70K93.6Very high95.6Very high148 Ų14847.9 Ų47.964%0.64322%0.221SC*.G310 helixtrans-61.8-19.517972.6-175-171.4-158.30114.3K43 Q68 I72K43-K70 PolarHBondContact NZ-O 3.24Å; K43-K70 VanDerWaalsContact NZ-O 3.16Å; Q68-K70 VanDerWaalsContact C-N 3.26Å; Q68-K70 HydrophobicContact CB-CG 4.21Å; Q68-K70 PolarHBondContact O-N 3.49Å; K70-I72 VanDerWaalsContact C-N 3.33Å
71E95.1Very high95.7Very high25 Ų2550.1 Ų50.112%0.11724%0.236CC..G310 helixtrans-84.5-11.5178.5-57.7177.5122.900111.5R36 K43 F44 L67 Q68 E69R36-E71 IonicContact CZ-OE1 3.1Å; R36-E71 IonicContact CZ-OE2 3.15Å; R36-E71 IonicContact NH1-OE1 3.79Å; R36-E71 PolarHBondContact NH1-OE1 3.11Å; R36-E71 IonicContact NH1-OE2 2.7Å; R36-E71 VanDerWaalsContact NH2-CD 3.29Å; R36-E71 IonicContact NH2-OE1 2.76Å; R36-E71 PolarHBondContact NH2-OE1 2.9Å; R36-E71 VanDerWaalsContact NH2-OE1 3.15Å; R36-E71 IonicContact NH2-OE2 3.75Å; R36-E71 PolarHBondContact NH2-OE2 2.73Å; K43-E71 CarbonylContact C-O 3.55Å; K43-E71 WeakPolarHBondContact CA-O 3.37Å; K43-E71 WeakPolarHBondContact CD-O 3.43Å; K43-E71 WeakPolarHBondContact CG-O 3.46Å; F44-E71 HydrophobicContact CD2-CB 3.8Å; F44-E71 HydrophobicContact CE2-CB 3.97Å; F44-E71 PolarHBondContact N-O 2.86Å; L67-E71 WeakPolarHBondContact CA-OE2 3.33Å; Q68-E71 HydrophobicContact CB-CG 4.25Å; Q68-E71 PolarHBondContact N-OE2 3.32Å; Q68-E71 WeakPolarHBondContact O-CB 3.11Å; Q68-E71 PolarHBondContact O-N 3.21Å; E69-E71 PolarHBondContact O-N 3.13Å; E69-E71 VanDerWaalsContact O-N 3.11Å
72I96.6Very high95.8Very high1 Ų146.9 Ų46.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-94.4126.1178.6-57.7163.8000110.4F44 K53 L57 L67 E69 K70 T74F44-I72 HydrophobicContact CB-CG1 4.39Å; K53-I72 HydrophobicContact CD-CB 4.18Å; K53-I72 HydrophobicContact CD-CG2 4.48Å; K53-I72 WeakPolarHBondContact CE-O 3.48Å; K53-I72 HydrophobicContact CG-CB 3.9Å; K53-I72 HydrophobicContact CG-CD1 4.26Å; K53-I72 HydrophobicContact CG-CG2 3.91Å; K53-I72 PolarHBondContact NZ-O 2.79Å; L57-I72 HydrophobicContact CB-CD1 3.84Å; L57-I72 HydrophobicContact CD1-CD1 4.19Å; L67-I72 HydrophobicContact CD1-CD1 3.59Å; L67-I72 HydrophobicContact CD1-CG1 3.81Å; E69-I72 PolarHBondContact O-N 2.93Å; K70-I72 VanDerWaalsContact C-N 3.33Å; I72-T74 HydrophobicContact CG2-CG2 3.79Å
73F97.2Very high95.9Very high14 Ų1438.4 Ų38.46%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-120.8117.1170.5-172.8-100.1000110.5K43 F44 V45 T46 A78 F184 Q187 A188K43-F73 HydrophobicContact CD-CB 4.31Å; K43-F73 HydrophobicContact CG-CB 4.28Å; F44-F73 PolarHBondContact O-N 3.46Å; V45-F73 VanDerWaalsContact CA-O 3.28Å; V45-F73 WeakPolarHBondContact CA-O 3.28Å; V45-F73 HydrophobicContact CG1-CB 4.35Å; T46-F73 PolarHBondContact N-O 2.93Å; F73-A78 HydrophobicContact CE1-CB 4.13Å; F73-A78 HydrophobicContact CZ-CB 3.82Å; F73-F184 HydrophobicContact CD1-CD2 4.31Å; F73-F184 HydrophobicContact CD1-CE1 4.44Å; F73-F184 AromaticContact CD1-CE2 3.85Å; F73-F184 HydrophobicContact CD1-CE2 3.85Å; F73-F184 AromaticContact CD1-CZ 3.92Å; F73-F184 HydrophobicContact CD1-CZ 3.92Å; F73-F184 AromaticContact CE1-CD2 3.77Å; F73-F184 HydrophobicContact CE1-CD2 3.77Å; F73-F184 AromaticContact CE1-CE2 3.74Å; F73-F184 HydrophobicContact CE1-CE2 3.74Å; F73-F184 HydrophobicContact CE1-CG 4.28Å; F73-F184 HydrophobicContact CE1-CZ 4.21Å; F73-F184 WeakPolarHBondContact CE1-O 3.19Å; F73-Q187 HydrophobicContact CE1-CB 4.13Å; F73-Q187 HydrophobicContact CE2-CB 4.16Å; F73-Q187 HydrophobicContact CZ-CB 3.51Å; F73-A188 HydrophobicContact CB-CB 4.36Å; F73-A188 HydrophobicContact CD1-CB 3.63Å; F73-A188 HydrophobicContact CE1-CB 4.14Å; F73-A188 HydrophobicContact CG-CB 4.06Å
74T97.2Very high96Very high0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-107.5161.3-176.962.10000111T46 T48 L56 I72 L76 S77 A78 D101T46-T74 HydrophobicContact CG2-CG2 3.86Å; T46-T74 CarbonylContact O-C 3.54Å; T46-T74 WeakPolarHBondContact O-CA 3.37Å; T48-T74 HydrophobicContact CG2-CG2 3.79Å; L56-T74 HydrophobicContact CD1-CG2 3.68Å; I72-T74 HydrophobicContact CG2-CG2 3.79Å; T74-L76 PolarHBondContact O-N 2.99Å; T74-L76 PolarHBondContact OG1-N 3.35Å; T74-S77 PolarHBondContact N-OG 3.1Å; T74-S77 WeakPolarHBondContact O-CA 3.24Å; T74-S77 VanDerWaalsContact O-CB 3.26Å; T74-S77 WeakPolarHBondContact O-CB 3.34Å; T74-S77 PolarHBondContact O-N 3.43Å; T74-S77 PolarHBondContact OG1-N 2.98Å; T74-S77 PolarHBondContact OG1-OG 3.48Å; T74-A78 PolarHBondContact O-N 2.69Å; T74-D101 PolarHBondContact OG1-OD2 3.4Å
75S96.4Very high96Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-62.5-24.1167.845.70000112.8T46 N47 T48 A79 I143T46-S75 PolarHBondContact O-N 2.91Å; N47-S75 VanDerWaalsContact CA-OG 3.29Å; N47-S75 WeakPolarHBondContact CA-OG 3.27Å; T48-S75 PolarHBondContact N-OG 2.97Å; T48-S75 PolarHBondContact O-OG 2.94Å; S75-A79 PolarHBondContact O-N 3.4Å; S75-I143 VanDerWaalsContact CB-CG2 3.46Å; S75-I143 WeakPolarHBondContact OG-CG2 3.5Å
76L97.4Very high96.1Very high0 Ų047.4 Ų47.40%023%0.225CC..Hα-helixtrans-67.2-41.2168-59.7175.5000111.6T48 E51 T74 A78 A79 R80 A98 D101 F102 I143T48-L76 HydrophobicContact CG2-CD1 4.2Å; T48-L76 HydrophobicContact CG2-CG 4.41Å; E51-L76 WeakPolarHBondContact O-CD1 3.42Å; T74-L76 PolarHBondContact O-N 2.99Å; T74-L76 PolarHBondContact OG1-N 3.35Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.86Å; L76-A79 WeakPolarHBondContact O-CB 3.28Å; L76-A79 PolarHBondContact O-N 3.01Å; L76-R80 WeakPolarHBondContact O-CB 3.42Å; L76-R80 PolarHBondContact O-N 3.18Å; L76-A98 HydrophobicContact CD1-CB 3.64Å; L76-A98 HydrophobicContact CD2-CB 4.29Å; L76-D101 HydrophobicContact CB-CB 4.11Å; L76-D101 WeakPolarHBondContact CB-OD2 3.06Å; L76-D101 HydrophobicContact CD1-CB 4.34Å; L76-F102 HydrophobicContact CD2-CE2 3.96Å; L76-F102 HydrophobicContact CD2-CZ 4.13Å; L76-I143 HydrophobicContact CD2-CD1 4.01Å; L76-I143 HydrophobicContact CD2-CG1 4.19Å; L76-I143 HydrophobicContact CD2-CG2 4.32Å
77S96.6Very high96.3Very high12 Ų1250.7 Ų50.78%0.08424%0.237CC..Hα-helixtrans-60.1-44.5173.4-56.20000110.8K53 T74 A79 R80 S81K53-S77 WeakPolarHBondContact CE-OG 3.31Å; K53-S77 PolarHBondContact NZ-OG 3.46Å; K53-S77 VanDerWaalsContact NZ-OG 3.13Å; T74-S77 PolarHBondContact N-OG 3.1Å; T74-S77 WeakPolarHBondContact O-CA 3.24Å; T74-S77 VanDerWaalsContact O-CB 3.26Å; T74-S77 WeakPolarHBondContact O-CB 3.34Å; T74-S77 PolarHBondContact O-N 3.43Å; T74-S77 PolarHBondContact OG1-N 2.98Å; T74-S77 PolarHBondContact OG1-OG 3.48Å; S77-A79 PolarHBondContact O-N 3.43Å; S77-R80 PolarHBondContact O-N 3.03Å; S77-S81 PolarHBondContact O-N 3.01Å; S77-S81 PolarHBondContact O-OG 3.03Å; S77-S81 VanDerWaalsContact O-OG 3.13Å
78A97.4Very high96.5Very high0 Ų052.9 Ų52.90%025%0.247CC..Hα-helixtrans-61.5-42.417600000112.4F73 T74 L76 S81 L82 V177 F184F73-A78 HydrophobicContact CE1-CB 4.13Å; F73-A78 HydrophobicContact CZ-CB 3.82Å; T74-A78 PolarHBondContact O-N 2.69Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.86Å; A78-S81 PolarHBondContact O-N 3.49Å; A78-L82 PolarHBondContact O-N 3.16Å; A78-V177 HydrophobicContact CB-CB 4.1Å; A78-V177 HydrophobicContact CB-CG2 4.43Å; A78-F184 HydrophobicContact CB-CD2 4.23Å
79A98.1Very high96.8Very high0 Ų051.2 Ų51.20%024%0.238CC..Hα-helixtrans-61.6-47.517500000111.9S75 L76 S77 L82 L83 F102 I143 V177S75-A79 PolarHBondContact O-N 3.4Å; L76-A79 WeakPolarHBondContact O-CB 3.28Å; L76-A79 PolarHBondContact O-N 3.01Å; S77-A79 PolarHBondContact O-N 3.43Å; A79-L82 PolarHBondContact O-N 3.04Å; A79-L83 WeakPolarHBondContact O-CG 3.34Å; A79-L83 PolarHBondContact O-N 3.36Å; A79-F102 HydrophobicContact CB-CE1 4.13Å; A79-F102 HydrophobicContact CB-CZ 4.15Å; A79-I143 HydrophobicContact CB-CD1 3.34Å; A79-V177 HydrophobicContact CB-CG2 3.88Å
80R97.7Very high97.1Very high60 Ų6046.3 Ų46.323%0.22622%0.216CC..Hα-helixtrans-58.2-49.5176.9-172.4-158.9173.987.510.7111.3L76 S77 L82 L83 E84 D101 F102 T103 I105L76-R80 WeakPolarHBondContact O-CB 3.42Å; L76-R80 PolarHBondContact O-N 3.18Å; S77-R80 PolarHBondContact O-N 3.03Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 2.87Å; R80-L83 WeakPolarHBondContact O-CB 3.37Å; R80-L83 PolarHBondContact O-N 2.96Å; R80-L83 VanDerWaalsContact O-N 3.11Å; R80-E84 IonicContact CZ-OE1 2.95Å; R80-E84 VanDerWaalsContact CZ-OE1 3.27Å; R80-E84 IonicContact NE-OE1 3.79Å; R80-E84 PolarHBondContact NE-OE1 3.26Å; R80-E84 IonicContact NE-OE2 3.71Å; R80-E84 IonicContact NH2-OE1 3.84Å; R80-E84 PolarHBondContact NH2-OE1 3.3Å; R80-E84 WeakPolarHBondContact O-CG 3.47Å; R80-E84 PolarHBondContact O-N 3.33Å; R80-D101 WeakPolarHBondContact CD-O 3.34Å; R80-D101 PolarHBondContact NH1-O 3.24Å; R80-F102 HydrophobicContact CB-CD1 4.37Å; R80-F102 HydrophobicContact CB-CE1 4.32Å; R80-T103 PolarHBondContact NH1-O 2.96Å; R80-T103 PolarHBondContact NH2-O 3.41Å; R80-T103 VanDerWaalsContact NH2-O 3.1Å; R80-I105 HydrophobicContact CG-CD1 4.17Å; R80-I105 HydrophobicContact CG-CG1 4.27Å
81S96.8Very high97.3Very high47 Ų4740.4 Ų40.433%0.32919%0.191SC..Hα-helixtrans-60-37.3178.5-63.50000112.2S77 A78 Q85S77-S81 PolarHBondContact O-N 3.01Å; S77-S81 PolarHBondContact O-OG 3.03Å; S77-S81 VanDerWaalsContact O-OG 3.13Å; A78-S81 PolarHBondContact O-N 3.49Å; S81-Q85 VanDerWaalsContact O-CB 3.25Å; S81-Q85 WeakPolarHBondContact O-CB 3.3Å; S81-Q85 PolarHBondContact O-N 3.49Å
82L97.7Very high97.4Very high26 Ų2640.7 Ų40.714%0.13619%0.193CC..Hα-helixtrans-65.5-43.3174.6-18062.5000111.9A78 A79 R80 Q85 K86 I141 T175 V177A78-L82 PolarHBondContact O-N 3.16Å; A79-L82 PolarHBondContact O-N 3.04Å; R80-L82 VanDerWaalsContact C-N 3.26Å; R80-L82 PolarHBondContact O-N 2.87Å; L82-Q85 PolarHBondContact O-N 2.81Å; L82-K86 HydrophobicContact CD1-CG 3.91Å; L82-K86 HydrophobicContact CG-CG 4.49Å; L82-K86 WeakPolarHBondContact O-CB 3.48Å; L82-K86 VanDerWaalsContact O-CG 3.28Å; L82-K86 WeakPolarHBondContact O-CG 3.36Å; L82-K86 PolarHBondContact O-N 3.26Å; L82-I141 HydrophobicContact CD2-CD1 3.99Å; L82-I141 HydrophobicContact CD2-CG1 4.15Å; L82-I141 HydrophobicContact CD2-CG2 4.12Å; L82-I141 HydrophobicContact CG-CD1 4.45Å; L82-T175 HydrophobicContact CD2-CG2 3.91Å; L82-V177 HydrophobicContact CD2-CG1 3.62Å
83L98.2Very high97.5Very high1 Ų140.9 Ų40.91%0.00519%0.194CC..Hα-helixtrans-61-47176.3-69.2167.2000111.5A79 R80 K86 Q87 H88 P90 F102 I105 A112 V114 I141A79-L83 WeakPolarHBondContact O-CG 3.34Å; A79-L83 PolarHBondContact O-N 3.36Å; R80-L83 WeakPolarHBondContact O-CB 3.37Å; R80-L83 PolarHBondContact O-N 2.96Å; R80-L83 VanDerWaalsContact O-N 3.11Å; L83-K86 CarbonylContact O-C 3.48Å; L83-K86 PolarHBondContact O-N 3.07Å; L83-Q87 WeakPolarHBondContact O-CA 3.48Å; L83-Q87 PolarHBondContact O-N 3.14Å; L83-H88 HydrophobicContact CD2-CB 3.88Å; L83-H88 PolarHBondContact O-N 3.05Å; L83-H88 VanDerWaalsContact O-N 3.11Å; L83-P90 HydrophobicContact CD1-CB 4.09Å; L83-P90 HydrophobicContact CD1-CG 3.74Å; L83-P90 HydrophobicContact CD2-CB 3.88Å; L83-P90 HydrophobicContact CD2-CG 4.18Å; L83-F102 HydrophobicContact CD1-CD1 3.93Å; L83-F102 HydrophobicContact CD1-CE1 3.86Å; L83-I105 HydrophobicContact CD1-CG2 4.48Å; L83-A112 HydrophobicContact CD2-CB 4.44Å; L83-V114 HydrophobicContact CD1-CG2 4.09Å; L83-V114 HydrophobicContact CD2-CG2 3.99Å; L83-V114 HydrophobicContact CG-CG2 4.36Å; L83-I141 HydrophobicContact CD2-CD1 3.96Å
84E97.3Very high97.4Very high95 Ų9540.2 Ų40.244%0.44419%0.192SC..Hα-helixtrans-63-43.7178.5-71173.4160.200111.4R80 K86 Q87 I105R80-E84 IonicContact CZ-OE1 2.95Å; R80-E84 VanDerWaalsContact CZ-OE1 3.27Å; R80-E84 IonicContact NE-OE1 3.79Å; R80-E84 PolarHBondContact NE-OE1 3.26Å; R80-E84 IonicContact NE-OE2 3.71Å; R80-E84 IonicContact NH2-OE1 3.84Å; R80-E84 PolarHBondContact NH2-OE1 3.3Å; R80-E84 WeakPolarHBondContact O-CG 3.47Å; R80-E84 PolarHBondContact O-N 3.33Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.28Å; E84-Q87 PolarHBondContact O-N 2.97Å; E84-I105 HydrophobicContact CG-CD1 3.58Å
85Q96.6Very high97.3Very high137 Ų13742.8 Ų42.864%0.6420%0.203SC*.Hα-helixtrans-62.8-37.3177.6-176.5-174.40.400112.5S81 L82S81-Q85 VanDerWaalsContact O-CB 3.25Å; S81-Q85 WeakPolarHBondContact O-CB 3.3Å; S81-Q85 PolarHBondContact O-N 3.49Å; L82-Q85 PolarHBondContact O-N 2.81Å
86K97.2Very high97.1Very high119 Ų11948.3 Ų48.352%0.51723%0.233SC..Hα-helixtrans-92.7-7.2-178.5-62.5-65.1-176.3176.70113.5L82 L83 E84 H88L82-K86 HydrophobicContact CD1-CG 3.91Å; L82-K86 HydrophobicContact CG-CG 4.49Å; L82-K86 WeakPolarHBondContact O-CB 3.48Å; L82-K86 VanDerWaalsContact O-CG 3.28Å; L82-K86 WeakPolarHBondContact O-CG 3.36Å; L82-K86 PolarHBondContact O-N 3.26Å; L83-K86 CarbonylContact O-C 3.48Å; L83-K86 PolarHBondContact O-N 3.07Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.28Å; K86-H88 WeakPolarHBondContact CB-CD2 3.19Å; K86-H88 PolarHBondContact O-N 2.81Å
87Q97.1Very high96.8Very high173 Ų17350.8 Ų50.881%0.80825%0.25SS*.THydrogen-bonded Turntrans5635.3-176-53-176.9-64.300113.1L83 E84L83-Q87 WeakPolarHBondContact O-CA 3.48Å; L83-Q87 PolarHBondContact O-N 3.14Å; E84-Q87 PolarHBondContact O-N 2.97Å
88H97.9Very high96.7Very high51 Ų5150.2 Ų50.224%0.23625%0.246CC..  trans-85.4148.9178.6-78.9-50.1000112.5L83 K86 D111 A112L83-H88 HydrophobicContact CD2-CB 3.88Å; L83-H88 PolarHBondContact O-N 3.05Å; L83-H88 VanDerWaalsContact O-N 3.11Å; K86-H88 WeakPolarHBondContact CB-CD2 3.19Å; K86-H88 PolarHBondContact O-N 2.81Å; H88-D111 WeakPolarHBondContact CA-OD1 3.43Å; H88-D111 IonicContact CE1-OD2 3.88Å; H88-D111 IonicContact CG-OD1 3.72Å; H88-D111 IonicContact ND1-OD1 3.25Å; H88-D111 PolarHBondContact ND1-OD1 3.11Å; H88-D111 IonicContact ND1-OD2 3.04Å; H88-D111 PolarHBondContact ND1-OD2 3.23Å; H88-A112 HydrophobicContact CB-CB 3.77Å
89K98.3Very high96.6Very high63 Ų6353.3 Ų53.327%0.27426%0.262SS..  trans-103.2109.7171.7-57.2-170.5-170.3-166.50109.2D106 S108 P110 D111 A112K89-D106 VanDerWaalsContact CA-O 3.23Å; K89-D106 WeakPolarHBondContact CA-O 3.47Å; K89-D106 VanDerWaalsContact CB-O 3.23Å; K89-D106 WeakPolarHBondContact CB-O 3.37Å; K89-D106 HydrophobicContact CD-CB 4.27Å; K89-D106 WeakPolarHBondContact CD-OD2 3.5Å; K89-D106 WeakPolarHBondContact CE-OD2 3.4Å; K89-D106 HydrophobicContact CG-CB 4.33Å; K89-D106 WeakPolarHBondContact CG-O 3.35Å; K89-D106 IonicContact NZ-OD2 2.73Å; K89-D106 PolarHBondContact NZ-OD2 3.35Å; K89-S108 WeakPolarHBondContact CD-O 3.45Å; K89-P110 CarbonylContact O-C 3.55Å; K89-P110 WeakPolarHBondContact O-CA 3.31Å; K89-P110 WeakPolarHBondContact O-CB 3.43Å; K89-D111 PolarHBondContact N-OD1 2.88Å; K89-D111 PolarHBondContact O-N 2.91Å; K89-D111 VanDerWaalsContact O-OD1 3.11Å; K89-A112 PolarHBondContact O-N 3.47Å
90P98.4Very high96.4Very high1 Ų156.9 Ų56.91%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-87.1142.1-170.533.5-35.9000113.2L83 L92 I105 D106 T107 A112 V114L83-P90 HydrophobicContact CD1-CB 4.09Å; L83-P90 HydrophobicContact CD1-CG 3.74Å; L83-P90 HydrophobicContact CD2-CB 3.88Å; L83-P90 HydrophobicContact CD2-CG 4.18Å; P90-L92 HydrophobicContact CB-CD2 3.79Å; P90-L92 HydrophobicContact CB-CG 4.13Å; P90-L92 HydrophobicContact CG-CD1 4.45Å; P90-L92 HydrophobicContact CG-CD2 3.68Å; P90-L92 HydrophobicContact CG-CG 3.88Å; P90-L92 PolarHBondContact O-N 3.5Å; P90-I105 VanDerWaalsContact CD-CG2 3.46Å; P90-I105 HydrophobicContact CG-CG2 3.87Å; P90-D106 WeakPolarHBondContact CD-O 3.44Å; P90-T107 HydrophobicContact CG-CG2 4.2Å; P90-A112 CarbonylContact C-O 3.54Å; P90-A112 WeakPolarHBondContact CA-O 3.4Å; P90-V114 HydrophobicContact CB-CB 4.42Å; P90-V114 HydrophobicContact CB-CG2 3.69Å
91L98.4Very high96.3Very high24 Ų2455 Ų5513%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-75.6110.4145.8176.567.7000107.3L93 P110 A112 V114 K129 A130 M133L91-L93 HydrophobicContact CD2-CD2 4.35Å; L91-L93 HydrophobicContact CG-CD2 4.28Å; L91-L93 HydrophobicContact CG-CG 4.44Å; L91-P110 HydrophobicContact CB-CB 4.09Å; L91-P110 HydrophobicContact CB-CG 4.24Å; L91-P110 VanDerWaalsContact N-CB 3.35Å; L91-A112 PolarHBondContact N-O 2.8Å; L91-V114 PolarHBondContact O-N 3.05Å; L91-K129 HydrophobicContact CD1-CD 4.43Å; L91-K129 HydrophobicContact CD2-CD 4.27Å; L91-K129 HydrophobicContact CD2-CG 4.29Å; L91-A130 HydrophobicContact CD2-CB 4.08Å; L91-M133 HydrophobicContact CB-CE 3.81Å; L91-M133 HydrophobicContact CB-SD 3.94Å; L91-M133 HydrophobicContact CD2-SD 3.66Å; L91-M133 HydrophobicContact CG-SD 4.38Å
92L98.1Very high96.4Very high30 Ų3053 Ų5316%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-88.5110.5179.6-64172000110.2P90 V94 L99 F102 T107 V114P90-L92 HydrophobicContact CB-CD2 3.79Å; P90-L92 HydrophobicContact CB-CG 4.13Å; P90-L92 HydrophobicContact CG-CD1 4.45Å; P90-L92 HydrophobicContact CG-CD2 3.68Å; P90-L92 HydrophobicContact CG-CG 3.88Å; P90-L92 PolarHBondContact O-N 3.5Å; L92-V94 HydrophobicContact CB-CG2 4.21Å; L92-L99 HydrophobicContact CB-CD2 4.17Å; L92-L99 HydrophobicContact CD1-CD2 3.79Å; L92-F102 HydrophobicContact CD1-CB 3.86Å; L92-F102 HydrophobicContact CD1-CD2 4.19Å; L92-F102 HydrophobicContact CD1-CG 3.99Å; L92-F102 HydrophobicContact CD2-CD1 3.93Å; L92-F102 HydrophobicContact CD2-CD2 4.09Å; L92-F102 HydrophobicContact CD2-CE1 4.03Å; L92-F102 HydrophobicContact CD2-CE2 4.18Å; L92-F102 HydrophobicContact CD2-CG 3.96Å; L92-F102 HydrophobicContact CD2-CZ 4.16Å; L92-T107 HydrophobicContact CD1-CG2 4Å; L92-T107 HydrophobicContact CG-CG2 4.5Å; L92-V114 HydrophobicContact CD2-CB 3.97Å; L92-V114 HydrophobicContact CD2-CG1 4.28Å; L92-V114 HydrophobicContact CD2-CG2 4.28Å
93L97.6Very high96.3Very high5 Ų556.5 Ų56.53%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-102.767167.2-57-177.8000108.9L91 V113 V114 I115 G116 A118 H121 A130L91-L93 HydrophobicContact CD2-CD2 4.35Å; L91-L93 HydrophobicContact CG-CD2 4.28Å; L91-L93 HydrophobicContact CG-CG 4.44Å; L93-V113 HydrophobicContact CD1-CG1 4.39Å; L93-V114 PolarHBondContact N-O 2.86Å; L93-I115 HydrophobicContact CB-CB 4.42Å; L93-I115 HydrophobicContact CB-CG1 4.38Å; L93-G116 PolarHBondContact O-N 3.2Å; L93-A118 WeakPolarHBondContact O-CB 3.3Å; L93-H121 HydrophobicContact CD2-CB 4.24Å; L93-A130 HydrophobicContact CD1-CB 3.95Å
94V96Very high96.2Very high1 Ų160 Ų601%0.00632%0.318CS..SBendtrans-127.9165.6178.6-58.70000108.8L92 A98 L99 F102 V114 H121L92-V94 HydrophobicContact CB-CG2 4.21Å; V94-A98 HydrophobicContact CB-CB 4.3Å; V94-A98 HydrophobicContact CG2-CB 4.23Å; V94-L99 HydrophobicContact CG2-CD2 3.66Å; V94-L99 HydrophobicContact CG2-CG 4.4Å; V94-F102 HydrophobicContact CG1-CE2 4.46Å; V94-F102 HydrophobicContact CG2-CE2 4.31Å; V94-V114 HydrophobicContact CG1-CG1 4.41Å; V94-H121 PolarHBondContact O-CD2 2.93Å; V94-H121 VanDerWaalsContact O-CD2 3.29Å
95E93.9Very high96.2Very high53 Ų5356.8 Ų56.825%0.24830%0.303CS..  trans-70.1151.2172.8-78.4-154.8-15400112.5K50 S97 A98 P119K50-E95 WeakPolarHBondContact CD-OE1 3.46Å; K50-E95 HydrophobicContact CG-CB 4.41Å; K50-E95 HydrophobicContact CG-CG 4.14Å; E95-S97 PolarHBondContact O-N 3.4Å; E95-S97 VanDerWaalsContact O-N 3.16Å; E95-A98 WeakPolarHBondContact O-CA 3.27Å; E95-A98 VanDerWaalsContact O-CB 3.31Å; E95-A98 WeakPolarHBondContact O-CB 3.35Å; E95-A98 PolarHBondContact O-N 2.92Å; E95-P119 VanDerWaalsContact OE1-CD 3.23Å; E95-P119 WeakPolarHBondContact OE1-CD 3.48Å
96D92.6Very high96.2Very high117 Ų11753.9 Ų53.963%0.62629%0.292SS*.G310 helixtrans-53.7-38.4-178.6-72.6-9.4000112.6A98 L99D96-A98 PolarHBondContact O-N 2.95Å; D96-A98 VanDerWaalsContact O-N 3.16Å; D96-L99 HydrophobicContact CB-CD1 4.39Å; D96-L99 WeakPolarHBondContact O-CB 3.5Å; D96-L99 PolarHBondContact O-N 3Å
97S91.9Very high96.2Very high51 Ų5151.8 Ų51.836%0.35729%0.289SS..G310 helixtrans-68.6-8.9177.548.10000114.7K50 S52 E95K50-S97 CarbonylContact O-C 3.6Å; K50-S97 VanDerWaalsContact O-CB 3.32Å; K50-S97 WeakPolarHBondContact O-CB 3.33Å; K50-S97 PolarHBondContact O-OG 3.1Å; S52-S97 WeakPolarHBondContact CB-O 3.29Å; S52-S97 PolarHBondContact N-O 3.41Å; E95-S97 PolarHBondContact O-N 3.4Å; E95-S97 VanDerWaalsContact O-N 3.16Å
98A93.9Very high96.1Very high0 Ų046.2 Ų46.20%027%0.27CS..G310 helixtrans-97.1-14.6171.900000112.9K50 L76 V94 E95 D96 E100 D101K50-A98 PolarHBondContact O-N 3.23Å; L76-A98 HydrophobicContact CD1-CB 3.64Å; L76-A98 HydrophobicContact CD2-CB 4.29Å; V94-A98 HydrophobicContact CB-CB 4.3Å; V94-A98 HydrophobicContact CG2-CB 4.23Å; E95-A98 WeakPolarHBondContact O-CA 3.27Å; E95-A98 VanDerWaalsContact O-CB 3.31Å; E95-A98 WeakPolarHBondContact O-CB 3.35Å; E95-A98 PolarHBondContact O-N 2.92Å; D96-A98 PolarHBondContact O-N 2.95Å; D96-A98 VanDerWaalsContact O-N 3.16Å; A98-E100 PolarHBondContact O-N 2.86Å; A98-D101 PolarHBondContact O-N 3.41Å; A98-D101 VanDerWaalsContact O-N 3.16Å
99L94.5Very high96Very high65 Ų6552 Ų5234%0.3430%0.297SS..G310 helixtrans-62.8-28-176.7-66176000112.9L92 V94 D96 D101 F102 T103L92-L99 HydrophobicContact CB-CD2 4.17Å; L92-L99 HydrophobicContact CD1-CD2 3.79Å; V94-L99 HydrophobicContact CG2-CD2 3.66Å; V94-L99 HydrophobicContact CG2-CG 4.4Å; D96-L99 HydrophobicContact CB-CD1 4.39Å; D96-L99 WeakPolarHBondContact O-CB 3.5Å; D96-L99 PolarHBondContact O-N 3Å; L99-D101 PolarHBondContact O-N 3.23Å; L99-F102 WeakPolarHBondContact O-CA 3.34Å; L99-F102 PolarHBondContact O-N 3.32Å; L99-T103 PolarHBondContact O-N 3.15Å
100E95.3Very high96Very high76 Ų7650.8 Ų50.836%0.35530%0.295SS..G310 helixtrans-53.4-38.5175.5-177.5177.5-163.200112S52 R54 A98 F102 T103S52-E100 WeakPolarHBondContact CB-OE2 3.34Å; S52-E100 PolarHBondContact OG-OE2 3.07Å; R54-E100 IonicContact CZ-OE1 3.25Å; R54-E100 IonicContact CZ-OE2 2.78Å; R54-E100 IonicContact NE-OE1 2.71Å; R54-E100 PolarHBondContact NE-OE1 2.83Å; R54-E100 IonicContact NE-OE2 2.76Å; R54-E100 PolarHBondContact NE-OE2 3.32Å; R54-E100 IonicContact NH2-OE1 3.87Å; R54-E100 IonicContact NH2-OE2 3.69Å; R54-E100 PolarHBondContact NH2-OE2 2.97Å; A98-E100 PolarHBondContact O-N 2.86Å; E100-F102 PolarHBondContact O-N 3.43Å; E100-T103 WeakPolarHBondContact O-CB 3.25Å; E100-T103 PolarHBondContact O-N 2.9Å; E100-T103 VanDerWaalsContact O-N 3.11Å; E100-T103 PolarHBondContact O-OG1 3Å
101D95.7Very high96Very high20 Ų2054 Ų5411%0.10731%0.312CS..G310 helixtrans-68.4-15.8179.2-82.820.5000112.4S52 K53 T74 L76 R80 A98 L99S52-D101 WeakPolarHBondContact CA-OD1 3.47Å; S52-D101 WeakPolarHBondContact CB-OD1 3.37Å; K53-D101 PolarHBondContact N-OD1 3.14Å; K53-D101 PolarHBondContact N-OD2 3.02Å; T74-D101 PolarHBondContact OG1-OD2 3.4Å; L76-D101 HydrophobicContact CB-CB 4.11Å; L76-D101 WeakPolarHBondContact CB-OD2 3.06Å; L76-D101 HydrophobicContact CD1-CB 4.34Å; R80-D101 WeakPolarHBondContact CD-O 3.34Å; R80-D101 PolarHBondContact NH1-O 3.24Å; A98-D101 PolarHBondContact O-N 3.41Å; A98-D101 VanDerWaalsContact O-N 3.16Å; L99-D101 PolarHBondContact O-N 3.23Å
102F96.9Very high96Very high6 Ų652.8 Ų52.83%0.02631%0.306CS..G310 helixtrans-103.37.3176.4-60.3-81.5000113.3L76 A79 R80 L83 L92 V94 L99 E100 G104 I105 V114L76-F102 HydrophobicContact CD2-CE2 3.96Å; L76-F102 HydrophobicContact CD2-CZ 4.13Å; A79-F102 HydrophobicContact CB-CE1 4.13Å; A79-F102 HydrophobicContact CB-CZ 4.15Å; R80-F102 HydrophobicContact CB-CD1 4.37Å; R80-F102 HydrophobicContact CB-CE1 4.32Å; L83-F102 HydrophobicContact CD1-CD1 3.93Å; L83-F102 HydrophobicContact CD1-CE1 3.86Å; L92-F102 HydrophobicContact CD1-CB 3.86Å; L92-F102 HydrophobicContact CD1-CD2 4.19Å; L92-F102 HydrophobicContact CD1-CG 3.99Å; L92-F102 HydrophobicContact CD2-CD1 3.93Å; L92-F102 HydrophobicContact CD2-CD2 4.09Å; L92-F102 HydrophobicContact CD2-CE1 4.03Å; L92-F102 HydrophobicContact CD2-CE2 4.18Å; L92-F102 HydrophobicContact CD2-CG 3.96Å; L92-F102 HydrophobicContact CD2-CZ 4.16Å; V94-F102 HydrophobicContact CG1-CE2 4.46Å; V94-F102 HydrophobicContact CG2-CE2 4.31Å; L99-F102 WeakPolarHBondContact O-CA 3.34Å; L99-F102 PolarHBondContact O-N 3.32Å; E100-F102 PolarHBondContact O-N 3.43Å; F102-G104 PolarHBondContact O-N 3.47Å; F102-I105 HydrophobicContact CB-CG1 4.47Å; F102-I105 VanDerWaalsContact O-CB 3.31Å; F102-I105 WeakPolarHBondContact O-CB 3.35Å; F102-I105 WeakPolarHBondContact O-CG1 3.36Å; F102-I105 PolarHBondContact O-N 3Å; F102-V114 HydrophobicContact CZ-CG1 4.39Å
103T96.1Very high96.1Very high98 Ų9851.4 Ų51.460%0.60130%0.299SS*.THydrogen-bonded Turntrans-53.6131177.2-56.70000111R80 L99 E100 I105R80-T103 PolarHBondContact NH1-O 2.96Å; R80-T103 PolarHBondContact NH2-O 3.41Å; R80-T103 VanDerWaalsContact NH2-O 3.1Å; L99-T103 PolarHBondContact O-N 3.15Å; E100-T103 WeakPolarHBondContact O-CB 3.25Å; E100-T103 PolarHBondContact O-N 2.9Å; E100-T103 VanDerWaalsContact O-N 3.11Å; E100-T103 PolarHBondContact O-OG1 3Å; T103-I105 VanDerWaalsContact C-N 3.33Å
104G96.3Very high96.1Very high75 Ų7551.1 Ų51.177%0.77330%0.298SS*.THydrogen-bonded Turntrans85.7-4-178.100000115.2F102F102-G104 PolarHBondContact O-N 3.47Å
105I97.1Very high96.2Very high27 Ų2751.1 Ų51.114%0.13830%0.297CS..  trans-80.6129.7165.4-56.8-61.8000108.6R80 L83 E84 P90 F102 T103 T107R80-I105 HydrophobicContact CG-CD1 4.17Å; R80-I105 HydrophobicContact CG-CG1 4.27Å; L83-I105 HydrophobicContact CD1-CG2 4.48Å; E84-I105 HydrophobicContact CG-CD1 3.58Å; P90-I105 VanDerWaalsContact CD-CG2 3.46Å; P90-I105 HydrophobicContact CG-CG2 3.87Å; F102-I105 HydrophobicContact CB-CG1 4.47Å; F102-I105 VanDerWaalsContact O-CB 3.31Å; F102-I105 WeakPolarHBondContact O-CB 3.35Å; F102-I105 WeakPolarHBondContact O-CG1 3.36Å; F102-I105 PolarHBondContact O-N 3Å; T103-I105 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.48Å
106D97.4Very high96.4Very high77 Ų7748.6 Ų48.641%0.41229%0.285SS..  trans-71.6123.3174.4-176.67.8000110K89 P90 S108K89-D106 VanDerWaalsContact CA-O 3.23Å; K89-D106 WeakPolarHBondContact CA-O 3.47Å; K89-D106 VanDerWaalsContact CB-O 3.23Å; K89-D106 WeakPolarHBondContact CB-O 3.37Å; K89-D106 HydrophobicContact CD-CB 4.27Å; K89-D106 WeakPolarHBondContact CD-OD2 3.5Å; K89-D106 WeakPolarHBondContact CE-OD2 3.4Å; K89-D106 HydrophobicContact CG-CB 4.33Å; K89-D106 WeakPolarHBondContact CG-O 3.35Å; K89-D106 IonicContact NZ-OD2 2.73Å; K89-D106 PolarHBondContact NZ-OD2 3.35Å; P90-D106 WeakPolarHBondContact CD-O 3.44Å; D106-S108 VanDerWaalsContact CG-OG 3.23Å; D106-S108 VanDerWaalsContact OD1-CB 3.26Å; D106-S108 WeakPolarHBondContact OD1-CB 3.36Å; D106-S108 PolarHBondContact OD1-N 3.29Å; D106-S108 PolarHBondContact OD1-OG 3.26Å; D106-S108 PolarHBondContact OD2-OG 3Å; D106-S108 VanDerWaalsContact OD2-OG 3.1Å
107T97.1Very high96.5Very high74 Ų7443.4 Ų43.445%0.45426%0.258SS..  trans-112.37.4177.864.40000112.5P90 L92 I105P90-T107 HydrophobicContact CG-CG2 4.2Å; L92-T107 HydrophobicContact CD1-CG2 4Å; L92-T107 HydrophobicContact CG-CG2 4.5Å; I105-T107 PolarHBondContact O-N 3.48Å
108S95.7Very high96.6Very high56 Ų5641 Ų4139%0.39224%0.241SC..SBendtrans-70.4141.4172670000110K89 D106K89-S108 WeakPolarHBondContact CD-O 3.45Å; D106-S108 VanDerWaalsContact CG-OG 3.23Å; D106-S108 VanDerWaalsContact OD1-CB 3.26Å; D106-S108 WeakPolarHBondContact OD1-CB 3.36Å; D106-S108 PolarHBondContact OD1-N 3.29Å; D106-S108 PolarHBondContact OD1-OG 3.26Å; D106-S108 PolarHBondContact OD2-OG 3Å; D106-S108 VanDerWaalsContact OD2-OG 3.1Å
109E95.8Very high96.6Very high172 Ų17243.8 Ų43.880%0.80426%0.259SS*.SBendtrans46.661.6178.3-59.1-178159.500112.9
110P97.7Very high96.6Very high38 Ų3847.2 Ų47.225%0.24728%0.278CS..  trans-66.6139.5-166.529.3-37.2000112.1K89 L91 M133K89-P110 CarbonylContact O-C 3.55Å; K89-P110 WeakPolarHBondContact O-CA 3.31Å; K89-P110 WeakPolarHBondContact O-CB 3.43Å; L91-P110 HydrophobicContact CB-CB 4.09Å; L91-P110 HydrophobicContact CB-CG 4.24Å; L91-P110 VanDerWaalsContact N-CB 3.35Å; P110-M133 HydrophobicContact CB-CE 3.8Å; P110-M133 HydrophobicContact CG-CE 3.87Å; P110-M133 HydrophobicContact CG-SD 4.23Å; P110-M133 WeakPolarHBondContact O-CE 3.36Å
111D98.3Very high96.6Very high68 Ų6846.3 Ų46.336%0.36427%0.274SS..  trans-119.21.2-178.874.4-15.1000113H88 K89 A138 P139H88-D111 WeakPolarHBondContact CA-OD1 3.43Å; H88-D111 IonicContact CE1-OD2 3.88Å; H88-D111 IonicContact CG-OD1 3.72Å; H88-D111 IonicContact ND1-OD1 3.25Å; H88-D111 PolarHBondContact ND1-OD1 3.11Å; H88-D111 IonicContact ND1-OD2 3.04Å; H88-D111 PolarHBondContact ND1-OD2 3.23Å; K89-D111 PolarHBondContact N-OD1 2.88Å; K89-D111 PolarHBondContact O-N 2.91Å; K89-D111 VanDerWaalsContact O-OD1 3.11Å; D111-A138 VanDerWaalsContact O-CA 3.3Å; D111-A138 WeakPolarHBondContact O-CA 3.39Å; D111-A138 WeakPolarHBondContact O-CB 3.37Å; D111-P139 WeakPolarHBondContact O-CD 3.45Å
112A98.7Very high96.6Very high0 Ų046.8 Ų46.80%028%0.275CS..EExtended strand (participates in β ladder)trans-135.2158174.400000110.9L83 H88 K89 P90 L91 M133 P139L83-A112 HydrophobicContact CD2-CB 4.44Å; H88-A112 HydrophobicContact CB-CB 3.77Å; K89-A112 PolarHBondContact O-N 3.47Å; P90-A112 CarbonylContact C-O 3.54Å; P90-A112 WeakPolarHBondContact CA-O 3.4Å; L91-A112 PolarHBondContact N-O 2.8Å; A112-M133 WeakPolarHBondContact O-CE 3.46Å; A112-P139 HydrophobicContact CB-CG 3.85Å
113V98.8Very high96.6Very high0 Ų049.2 Ų49.20%029%0.288CS..EExtended strand (participates in β ladder)trans-116.2120.9173177.90000108.8L93 A130 M133 I134 P139 L140 I141L93-V113 HydrophobicContact CD1-CG1 4.39Å; V113-A130 HydrophobicContact CG1-CB 3.84Å; V113-A130 HydrophobicContact CG2-CB 4.09Å; V113-M133 HydrophobicContact CG2-CB 4.13Å; V113-M133 HydrophobicContact CG2-CE 3.93Å; V113-M133 HydrophobicContact CG2-SD 4.32Å; V113-I134 HydrophobicContact CB-CG1 4.47Å; V113-I134 HydrophobicContact CG2-CD1 4.37Å; V113-I134 HydrophobicContact CG2-CG1 4Å; V113-P139 PolarHBondContact N-O 2.84Å; V113-L140 HydrophobicContact CB-CD1 4.15Å; V113-L140 HydrophobicContact CG1-CD1 3.84Å; V113-I141 PolarHBondContact O-N 3.01Å
114V98.6Very high96.7Very high0 Ų052.7 Ų52.70%029%0.291CS..EExtended strand (participates in β ladder)trans-107.7124.9171.1178.30000108.6L83 P90 L91 L92 L93 V94 F102 I141 I143L83-V114 HydrophobicContact CD1-CG2 4.09Å; L83-V114 HydrophobicContact CD2-CG2 3.99Å; L83-V114 HydrophobicContact CG-CG2 4.36Å; P90-V114 HydrophobicContact CB-CB 4.42Å; P90-V114 HydrophobicContact CB-CG2 3.69Å; L91-V114 PolarHBondContact O-N 3.05Å; L92-V114 HydrophobicContact CD2-CB 3.97Å; L92-V114 HydrophobicContact CD2-CG1 4.28Å; L92-V114 HydrophobicContact CD2-CG2 4.28Å; L93-V114 PolarHBondContact N-O 2.86Å; V94-V114 HydrophobicContact CG1-CG1 4.41Å; F102-V114 HydrophobicContact CZ-CG1 4.39Å; V114-I141 CarbonylContact C-O 3.56Å; V114-I141 VanDerWaalsContact CA-O 3.3Å; V114-I141 WeakPolarHBondContact CA-O 3.46Å; V114-I141 HydrophobicContact CG2-CB 4.16Å; V114-I141 HydrophobicContact CG2-CD1 4.28Å; V114-I141 HydrophobicContact CG2-CG2 4.45Å; V114-I143 HydrophobicContact CG1-CD1 3.73Å; V114-I143 HydrophobicContact CG1-CG1 4.34Å
115I98.4Very high96.8Very high0 Ų055.7 Ų55.70%029%0.285CS..EExtended strand (participates in β ladder)trans-123.4119.6-177.7-176.9166.9000111.5L93 F122 L140 I141 A142 I143 F162 V163 L166L93-I115 HydrophobicContact CB-CB 4.42Å; L93-I115 HydrophobicContact CB-CG1 4.38Å; I115-F122 HydrophobicContact CD1-CE1 3.85Å; I115-F122 HydrophobicContact CD1-CZ 4.27Å; I115-F122 HydrophobicContact CG1-CE1 3.97Å; I115-F122 HydrophobicContact CG1-CZ 4.24Å; I115-L140 HydrophobicContact CG2-CD1 3.7Å; I115-I141 WeakPolarHBondContact CG2-O 3.38Å; I115-I141 PolarHBondContact N-O 2.81Å; I115-A142 HydrophobicContact CG2-CB 4.11Å; I115-I143 PolarHBondContact O-N 3.37Å; I115-F162 HydrophobicContact CD1-CB 4.01Å; I115-V163 HydrophobicContact CD1-CG2 4.18Å; I115-V163 HydrophobicContact CG1-CG2 4.26Å; I115-V163 HydrophobicContact CG2-CG2 3.65Å; I115-L166 HydrophobicContact CD1-CD1 3.98Å
116G97Very high96.9Very high0 Ų055.7 Ų55.70%029%0.288CS..  trans-109.9-169169.900000111.4T49 L93 A118 F122 P159T49-G116 WeakPolarHBondContact OG1-CA 3.47Å; L93-G116 PolarHBondContact O-N 3.2Å; G116-A118 PolarHBondContact O-N 2.92Å; G116-F122 WeakPolarHBondContact O-CZ 3.07Å; G116-P159 WeakPolarHBondContact O-CB 3.05Å
117L95.3Very high96.9Very high8 Ų853.8 Ų53.84%0.04228%0.277CS..  trans-78.2112.3165.2177.759.8000108.2T49 K50 P119 F122 Y149 P159T49-L117 HydrophobicContact CG2-CB 3.42Å; T49-L117 VanDerWaalsContact CG2-CB 3.42Å; T49-L117 PolarHBondContact OG1-N 3.19Å; K50-L117 HydrophobicContact CD-CD2 4.01Å; K50-L117 HydrophobicContact CD-CG 4.4Å; L117-P119 HydrophobicContact CD1-CG 4.34Å; L117-P119 HydrophobicContact CG-CG 4.47Å; L117-F122 HydrophobicContact CD1-CE2 3.88Å; L117-Y149 HydrophobicContact CD1-CE1 4.41Å; L117-Y149 HydrophobicContact CD2-CD1 3.82Å; L117-Y149 HydrophobicContact CD2-CE1 3.41Å; L117-Y149 VanDerWaalsContact CD2-CE1 3.41Å; L117-Y149 HydrophobicContact CD2-CE2 4.48Å; L117-P159 HydrophobicContact CB-CB 4.39Å; L117-P159 HydrophobicContact CB-CG 4.38Å
118A95.2Very high97Very high1 Ų151.9 Ų51.91%0.00826%0.264CS..  trans-141.575.6-174.700000110.3L93 G116 D120 H121 F122L93-A118 WeakPolarHBondContact O-CB 3.3Å; G116-A118 PolarHBondContact O-N 2.92Å; A118-D120 VanDerWaalsContact C-N 3.26Å; A118-D120 PolarHBondContact O-N 2.78Å; A118-H121 HydrophobicContact CB-CB 3.95Å; A118-H121 CarbonylContact O-C 3.56Å; A118-H121 WeakPolarHBondContact O-CA 3.26Å; A118-H121 PolarHBondContact O-N 3.29Å; A118-F122 HydrophobicContact CB-CE1 4.25Å; A118-F122 WeakPolarHBondContact O-CD1 3.44Å; A118-F122 VanDerWaalsContact O-CG 3.26Å; A118-F122 WeakPolarHBondContact O-CG 3.18Å; A118-F122 PolarHBondContact O-N 3.49Å; A118-F122 VanDerWaalsContact O-N 3.1Å
119P93.8Very high97.2Very high59 Ų5954.6 Ų54.638%0.38327%0.269SS..G310 helixtrans-53-41.5-171.2-27.336.5000113.6E95 L117 H121 F122E95-P119 VanDerWaalsContact OE1-CD 3.23Å; E95-P119 WeakPolarHBondContact OE1-CD 3.48Å; L117-P119 HydrophobicContact CD1-CG 4.34Å; L117-P119 HydrophobicContact CG-CG 4.47Å; P119-H121 PolarHBondContact O-N 3.11Å; P119-F122 PolarHBondContact O-N 3.46Å; P119-F122 VanDerWaalsContact O-N 3.13Å
120D93.3Very high97.3Very high137 Ų13746.4 Ų46.473%0.73323%0.231SC*.G310 helixtrans-68.6-22.6-179.6-63.7-26000112.9A118 N123A118-D120 VanDerWaalsContact C-N 3.26Å; A118-D120 PolarHBondContact O-N 2.78Å; D120-N123 PolarHBondContact O-ND2 2.92Å
121H94.6Very high97.3Very high57 Ų5747 Ų4726%0.26423%0.23SC..G310 helixtrans-94.9-5.7175.7-62.9-61.9000113.4L93 V94 A118 P119 N123 S126L93-H121 HydrophobicContact CD2-CB 4.24Å; V94-H121 PolarHBondContact O-CD2 2.93Å; V94-H121 VanDerWaalsContact O-CD2 3.29Å; A118-H121 HydrophobicContact CB-CB 3.95Å; A118-H121 CarbonylContact O-C 3.56Å; A118-H121 WeakPolarHBondContact O-CA 3.26Å; A118-H121 PolarHBondContact O-N 3.29Å; P119-H121 PolarHBondContact O-N 3.11Å; H121-N123 PolarHBondContact O-N 3.41Å; H121-S126 WeakPolarHBondContact O-CB 3.28Å
122F96.8Very high97.4Very high29 Ų2951 Ų5113%0.12724%0.24CC..  trans-87.653.5-179-70.9-12.1000112.6I115 G116 L117 A118 P119 L127 P159 F162I115-F122 HydrophobicContact CD1-CE1 3.85Å; I115-F122 HydrophobicContact CD1-CZ 4.27Å; I115-F122 HydrophobicContact CG1-CE1 3.97Å; I115-F122 HydrophobicContact CG1-CZ 4.24Å; G116-F122 WeakPolarHBondContact O-CZ 3.07Å; L117-F122 HydrophobicContact CD1-CE2 3.88Å; A118-F122 HydrophobicContact CB-CE1 4.25Å; A118-F122 WeakPolarHBondContact O-CD1 3.44Å; A118-F122 VanDerWaalsContact O-CG 3.26Å; A118-F122 WeakPolarHBondContact O-CG 3.18Å; A118-F122 PolarHBondContact O-N 3.49Å; A118-F122 VanDerWaalsContact O-N 3.1Å; P119-F122 PolarHBondContact O-N 3.46Å; P119-F122 VanDerWaalsContact O-N 3.13Å; F122-L127 HydrophobicContact CD1-CD2 4.4Å; F122-P159 HydrophobicContact CZ-CB 4.44Å; F122-F162 HydrophobicContact CB-CD1 3.92Å; F122-F162 HydrophobicContact CB-CE1 3.59Å; F122-F162 HydrophobicContact CB-CE2 4.49Å; F122-F162 HydrophobicContact CB-CG 4.5Å; F122-F162 HydrophobicContact CB-CZ 3.9Å; F122-F162 HydrophobicContact CD1-CB 4.39Å; F122-F162 HydrophobicContact CD1-CD1 4.2Å; F122-F162 HydrophobicContact CD1-CG 4.12Å; F122-F162 AromaticContact CD2-CD1 3.91Å; F122-F162 HydrophobicContact CD2-CD1 3.91Å; F122-F162 AromaticContact CD2-CD2 3.32Å; F122-F162 HydrophobicContact CD2-CD2 3.32Å; F122-F162 AromaticContact CD2-CE1 3.83Å; F122-F162 HydrophobicContact CD2-CE1 3.83Å; F122-F162 AromaticContact CD2-CE2 3.22Å; F122-F162 HydrophobicContact CD2-CE2 3.22Å; F122-F162 AromaticContact CD2-CG 3.66Å; F122-F162 HydrophobicContact CD2-CG 3.66Å; F122-F162 AromaticContact CD2-CZ 3.48Å; F122-F162 HydrophobicContact CD2-CZ 3.48Å; F122-F162 VanDerWaalsContact CD2-CZ 3.48Å; F122-F162 HydrophobicContact CE1-CB 4.06Å; F122-F162 HydrophobicContact CE1-CD2 4.42Å; F122-F162 HydrophobicContact CE1-CG 4.13Å; F122-F162 HydrophobicContact CE2-CB 4.23Å; F122-F162 HydrophobicContact CE2-CD1 4.36Å; F122-F162 AromaticContact CE2-CD2 3.13Å; F122-F162 HydrophobicContact CE2-CD2 3.13Å; F122-F162 AromaticContact CE2-CE2 3.44Å; F122-F162 HydrophobicContact CE2-CE2 3.44Å; F122-F162 VanDerWaalsContact CE2-CE2 3.44Å; F122-F162 AromaticContact CE2-CG 3.65Å; F122-F162 HydrophobicContact CE2-CG 3.65Å; F122-F162 HydrophobicContact CE2-CZ 4.17Å; F122-F162 AromaticContact CG-CD1 3.77Å; F122-F162 HydrophobicContact CG-CD1 3.77Å; F122-F162 HydrophobicContact CG-CD2 4.02Å; F122-F162 AromaticContact CG-CE1 3.82Å; F122-F162 HydrophobicContact CG-CE1 3.82Å; F122-F162 HydrophobicContact CG-CE2 4.07Å; F122-F162 AromaticContact CG-CG 3.86Å; F122-F162 HydrophobicContact CG-CG 3.86Å; F122-F162 AromaticContact CG-CZ 3.96Å; F122-F162 HydrophobicContact CG-CZ 3.96Å; F122-F162 HydrophobicContact CZ-CB 3.92Å; F122-F162 AromaticContact CZ-CD2 3.71Å; F122-F162 HydrophobicContact CZ-CD2 3.71Å; F122-F162 HydrophobicContact CZ-CE2 4.42Å; F122-F162 AromaticContact CZ-CG 3.85Å; F122-F162 HydrophobicContact CZ-CG 3.85Å
123N97.4Very high97.4Very high57 Ų5752.2 Ų52.231%0.30525%0.246SC..SBendtrans-114.2162.4174.659.266.7000111D120 H121 Q125 S126 L127D120-N123 PolarHBondContact O-ND2 2.92Å; H121-N123 PolarHBondContact O-N 3.41Å; N123-Q125 VanDerWaalsContact C-N 3.29Å; N123-Q125 PolarHBondContact O-N 3.43Å; N123-Q125 PolarHBondContact OD1-N 2.87Å; N123-S126 PolarHBondContact ND2-OG 2.81Å; N123-S126 PolarHBondContact O-N 2.98Å; N123-S126 WeakPolarHBondContact OD1-CB 3.4Å; N123-S126 PolarHBondContact OD1-N 3.38Å; N123-S126 PolarHBondContact OD1-OG 3.14Å; N123-L127 WeakPolarHBondContact O-CB 3.47Å; N123-L127 WeakPolarHBondContact O-CG 3.46Å; N123-L127 PolarHBondContact O-N 3.28Å
124Y98.3Very high97.4Very high171 Ų17152.9 Ų52.967%0.67125%0.249SC*.Hα-helixtrans-55.3-42.9-175.9-179.2-92.7000112.5N128Y124-N128 HydrophobicContact CD1-CB 4.44Å; Y124-N128 HydrophobicContact CE1-CB 4.19Å; Y124-N128 WeakPolarHBondContact O-CB 3.06Å; Y124-N128 PolarHBondContact O-N 3.09Å
125Q98.4Very high97.4Very high138 Ų13857.7 Ų57.765%0.64527%0.274SS*.Hα-helixtrans-63.7-46.9-175.9-67.179.2-2.800111.5N123 K129N123-Q125 VanDerWaalsContact C-N 3.29Å; N123-Q125 PolarHBondContact O-N 3.43Å; N123-Q125 PolarHBondContact OD1-N 2.87Å; Q125-K129 PolarHBondContact O-N 3.3Å
126S97.9Very high97.3Very high27 Ų2764.6 Ų64.619%0.18931%0.311CS..Hα-helixtrans-68.4-44.6-179.4-550000111.4H121 N123 K129 A130H121-S126 WeakPolarHBondContact O-CB 3.28Å; N123-S126 PolarHBondContact ND2-OG 2.81Å; N123-S126 PolarHBondContact O-N 2.98Å; N123-S126 WeakPolarHBondContact OD1-CB 3.4Å; N123-S126 PolarHBondContact OD1-N 3.38Å; N123-S126 PolarHBondContact OD1-OG 3.14Å; S126-K129 WeakPolarHBondContact O-CB 3.26Å; S126-K129 PolarHBondContact O-N 3.01Å; S126-A130 PolarHBondContact O-N 3.1Å; S126-A130 VanDerWaalsContact O-N 3.07Å
127L98.6Very high97.4Very high38 Ų3867.5 Ų67.520%0.19934%0.341CS..Hα-helixtrans-66.2-39.9177.5-66.3173.1000112F122 N123 K129 A130 F131 F162 L166F122-L127 HydrophobicContact CD1-CD2 4.4Å; N123-L127 WeakPolarHBondContact O-CB 3.47Å; N123-L127 WeakPolarHBondContact O-CG 3.46Å; N123-L127 PolarHBondContact O-N 3.28Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.27Å; L127-A130 PolarHBondContact O-N 2.76Å; L127-F131 VanDerWaalsContact O-CB 3.27Å; L127-F131 WeakPolarHBondContact O-CB 3.48Å; L127-F131 PolarHBondContact O-N 2.98Å; L127-F162 HydrophobicContact CD1-CD1 3.99Å; L127-L166 HydrophobicContact CD2-CD1 4.47Å
128N98.8Very high97.5Very high33 Ų3367.7 Ų67.718%0.17634%0.344CS..Hα-helixtrans-69-30.4177.5-172.254.1000112.2Y124 R132Y124-N128 HydrophobicContact CD1-CB 4.44Å; Y124-N128 HydrophobicContact CE1-CB 4.19Å; Y124-N128 WeakPolarHBondContact O-CB 3.06Å; Y124-N128 PolarHBondContact O-N 3.09Å; N128-R132 WeakPolarHBondContact O-CG 3.46Å; N128-R132 PolarHBondContact O-N 2.65Å; N128-R132 VanDerWaalsContact O-N 3.13Å
129K98.6Very high97.7Very high113 Ų11369.6 Ų69.649%0.49136%0.356SS..Hα-helixtrans-64.2-51.3169.9-178.1-177.7177-176.70110.8L91 Q125 S126 L127 F131 R132 M133L91-K129 HydrophobicContact CD1-CD 4.43Å; L91-K129 HydrophobicContact CD2-CD 4.27Å; L91-K129 HydrophobicContact CD2-CG 4.29Å; Q125-K129 PolarHBondContact O-N 3.3Å; S126-K129 WeakPolarHBondContact O-CB 3.26Å; S126-K129 PolarHBondContact O-N 3.01Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.27Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 2.84Å; K129-R132 PolarHBondContact O-N 3.01Å; K129-M133 HydrophobicContact CG-SD 4.46Å; K129-M133 WeakPolarHBondContact O-CG 3.44Å; K129-M133 PolarHBondContact O-N 3.23Å; K129-M133 VanDerWaalsContact O-N 3.16Å
130A98.7Very high97.9Very high0 Ų067 Ų670%034%0.339CS..Hα-helixtrans-58.3-45.5176.500000112L91 L93 V113 S126 L127 R132 M133 I134 L166L91-A130 HydrophobicContact CD2-CB 4.08Å; L93-A130 HydrophobicContact CD1-CB 3.95Å; V113-A130 HydrophobicContact CG1-CB 3.84Å; V113-A130 HydrophobicContact CG2-CB 4.09Å; S126-A130 PolarHBondContact O-N 3.1Å; S126-A130 VanDerWaalsContact O-N 3.07Å; L127-A130 PolarHBondContact O-N 2.76Å; A130-R132 PolarHBondContact O-N 3.42Å; A130-M133 WeakPolarHBondContact O-CB 3.34Å; A130-M133 PolarHBondContact O-N 3.29Å; A130-I134 WeakPolarHBondContact O-CD1 3.28Å; A130-I134 VanDerWaalsContact O-CG1 3.23Å; A130-I134 WeakPolarHBondContact O-CG1 3.47Å; A130-I134 PolarHBondContact O-N 2.7Å; A130-L166 HydrophobicContact CB-CD1 4.31Å; A130-L166 HydrophobicContact CB-CD2 4.35Å
131F98.8Very high98.2Very high51 Ų5160.7 Ų60.722%0.22431%0.305CS..Hα-helixtrans-52.2-50.1175.1164.8-110.2000112.8L127 K129 M133 I134 L135 L166 A169 T170L127-F131 VanDerWaalsContact O-CB 3.27Å; L127-F131 WeakPolarHBondContact O-CB 3.48Å; L127-F131 PolarHBondContact O-N 2.98Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 2.84Å; F131-M133 PolarHBondContact O-N 3.09Å; F131-I134 PolarHBondContact O-N 2.82Å; F131-L135 HydrophobicContact CD1-CD1 4.43Å; F131-L135 HydrophobicContact CD2-CG 4.37Å; F131-L135 HydrophobicContact CE1-CD1 3.69Å; F131-L135 HydrophobicContact CE1-CG 4.49Å; F131-L135 HydrophobicContact CE2-CD1 3.78Å; F131-L135 HydrophobicContact CE2-CD2 4.14Å; F131-L135 HydrophobicContact CE2-CG 3.86Å; F131-L135 HydrophobicContact CZ-CD1 3.32Å; F131-L135 HydrophobicContact CZ-CD2 4.42Å; F131-L135 HydrophobicContact CZ-CG 3.95Å; F131-L135 PolarHBondContact O-N 3.13Å; F131-L166 HydrophobicContact CB-CD2 4Å; F131-A169 HydrophobicContact CD2-CB 3.75Å; F131-A169 HydrophobicContact CE2-CB 3.75Å; F131-A169 WeakPolarHBondContact CE2-O 3.47Å; F131-T170 HydrophobicContact CD2-CG2 3.44Å; F131-T170 VanDerWaalsContact CD2-CG2 3.44Å; F131-T170 HydrophobicContact CE2-CG2 3.72Å
132R98.8Very high98.4Very high153 Ų15358 Ų5858%0.57729%0.293SS*.Hα-helixtrans-62.5-43.1179.1-73.6173.5178.7173.9-2112.2N128 K129 A130 I134 L135 D136N128-R132 WeakPolarHBondContact O-CG 3.46Å; N128-R132 PolarHBondContact O-N 2.65Å; N128-R132 VanDerWaalsContact O-N 3.13Å; K129-R132 PolarHBondContact O-N 3.01Å; A130-R132 PolarHBondContact O-N 3.42Å; R132-I134 VanDerWaalsContact C-N 3.27Å; R132-I134 PolarHBondContact O-N 3.2Å; R132-L135 WeakPolarHBondContact O-CB 3.26Å; R132-L135 PolarHBondContact O-N 3.1Å; R132-D136 PolarHBondContact O-N 2.92Å
133M98.8Very high98.4Very high25 Ų2556.6 Ų56.612%0.12329%0.287CS..Hα-helixtrans-58.9-41.6175.6-67.8172.955.200111.7L91 P110 A112 V113 K129 A130 F131 D136 G137 A138L91-M133 HydrophobicContact CB-CE 3.81Å; L91-M133 HydrophobicContact CB-SD 3.94Å; L91-M133 HydrophobicContact CD2-SD 3.66Å; L91-M133 HydrophobicContact CG-SD 4.38Å; P110-M133 HydrophobicContact CB-CE 3.8Å; P110-M133 HydrophobicContact CG-CE 3.87Å; P110-M133 HydrophobicContact CG-SD 4.23Å; P110-M133 WeakPolarHBondContact O-CE 3.36Å; A112-M133 WeakPolarHBondContact O-CE 3.46Å; V113-M133 HydrophobicContact CG2-CB 4.13Å; V113-M133 HydrophobicContact CG2-CE 3.93Å; V113-M133 HydrophobicContact CG2-SD 4.32Å; K129-M133 HydrophobicContact CG-SD 4.46Å; K129-M133 WeakPolarHBondContact O-CG 3.44Å; K129-M133 PolarHBondContact O-N 3.23Å; K129-M133 VanDerWaalsContact O-N 3.16Å; A130-M133 WeakPolarHBondContact O-CB 3.34Å; A130-M133 PolarHBondContact O-N 3.29Å; F131-M133 PolarHBondContact O-N 3.09Å; M133-D136 CarbonylContact O-C 3.53Å; M133-D136 PolarHBondContact O-N 3.18Å; M133-G137 PolarHBondContact O-N 3.02Å; M133-A138 HydrophobicContact CB-CB 3.93Å; M133-A138 WeakPolarHBondContact O-CB 3.49Å; M133-A138 PolarHBondContact O-N 2.84Å
134I98.7Very high98.3Very high14 Ų1454.9 Ų54.97%0.07228%0.277CS..Hα-helixtrans-67.3-39.2179.2-62157.6000111V113 A130 F131 R132 D136 G137 L140 L166 T170 C172V113-I134 HydrophobicContact CB-CG1 4.47Å; V113-I134 HydrophobicContact CG2-CD1 4.37Å; V113-I134 HydrophobicContact CG2-CG1 4Å; A130-I134 WeakPolarHBondContact O-CD1 3.28Å; A130-I134 VanDerWaalsContact O-CG1 3.23Å; A130-I134 WeakPolarHBondContact O-CG1 3.47Å; A130-I134 PolarHBondContact O-N 2.7Å; F131-I134 PolarHBondContact O-N 2.82Å; R132-I134 VanDerWaalsContact C-N 3.27Å; R132-I134 PolarHBondContact O-N 3.2Å; I134-D136 PolarHBondContact O-N 2.88Å; I134-G137 PolarHBondContact O-N 3.4Å; I134-L140 HydrophobicContact CD1-CB 4.14Å; I134-L140 HydrophobicContact CD1-CD1 4.01Å; I134-L140 HydrophobicContact CD1-CD2 4.24Å; I134-L140 HydrophobicContact CD1-CG 4.35Å; I134-L140 HydrophobicContact CG1-CB 4.36Å; I134-L166 HydrophobicContact CD1-CB 4.24Å; I134-L166 HydrophobicContact CD1-CD1 4.32Å; I134-L166 HydrophobicContact CD1-CD2 4.31Å; I134-T170 HydrophobicContact CB-CG2 3.95Å; I134-T170 HydrophobicContact CG2-CG2 3.65Å; I134-C172 HydrophobicContact CG2-CB 4.35Å
135L98.4Very high98.1Very high100 Ų10050.4 Ų50.452%0.52426%0.261SS..Hα-helixtrans-60.9-34.7172.1-72.7-176.2000112.6F131 R132 G137 T170F131-L135 HydrophobicContact CD1-CD1 4.43Å; F131-L135 HydrophobicContact CD2-CG 4.37Å; F131-L135 HydrophobicContact CE1-CD1 3.69Å; F131-L135 HydrophobicContact CE1-CG 4.49Å; F131-L135 HydrophobicContact CE2-CD1 3.78Å; F131-L135 HydrophobicContact CE2-CD2 4.14Å; F131-L135 HydrophobicContact CE2-CG 3.86Å; F131-L135 HydrophobicContact CZ-CD1 3.32Å; F131-L135 HydrophobicContact CZ-CD2 4.42Å; F131-L135 HydrophobicContact CZ-CG 3.95Å; F131-L135 PolarHBondContact O-N 3.13Å; R132-L135 WeakPolarHBondContact O-CB 3.26Å; R132-L135 PolarHBondContact O-N 3.1Å; L135-G137 PolarHBondContact O-N 3.3Å; L135-T170 HydrophobicContact CD2-CG2 4.17Å; L135-T170 HydrophobicContact CG-CG2 4.39Å
136D98.1Very high97.8Very high145 Ų14545.5 Ų45.578%0.77524%0.244SC*.THydrogen-bonded Turntrans-77.11.6175.4-64-24.8000112.9R132 M133 I134R132-D136 PolarHBondContact O-N 2.92Å; M133-D136 CarbonylContact O-C 3.53Å; M133-D136 PolarHBondContact O-N 3.18Å; I134-D136 PolarHBondContact O-N 2.88Å
137G97.8Very high97.3Very high62 Ų6253.3 Ų53.364%0.63927%0.269SS*.THydrogen-bonded Turntrans103.93.5173.400000115.5M133 I134 L135M133-G137 PolarHBondContact O-N 3.02Å; I134-G137 PolarHBondContact O-N 3.4Å; L135-G137 PolarHBondContact O-N 3.3Å
138A98.6Very high96.6Very high12 Ų1258.3 Ų58.310%0.09929%0.286CS..  trans-63.6133176.800000111.3D111 M133D111-A138 VanDerWaalsContact O-CA 3.3Å; D111-A138 WeakPolarHBondContact O-CA 3.39Å; D111-A138 WeakPolarHBondContact O-CB 3.37Å; M133-A138 HydrophobicContact CB-CB 3.93Å; M133-A138 WeakPolarHBondContact O-CB 3.49Å; M133-A138 PolarHBondContact O-N 2.84Å
139P98.5Very high95.8Very high41 Ų4159.6 Ų59.627%0.26629%0.289SS..  trans-67.9138175.327.8-33.9000111.2D111 A112 V113D111-P139 WeakPolarHBondContact O-CD 3.45Å; A112-P139 HydrophobicContact CB-CG 3.85Å; V113-P139 PolarHBondContact N-O 2.84Å
140L98.8Very high94.7Very high4 Ų461.6 Ų61.62%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-90.1115.2169.6179.758.9000109.7V113 I115 I134 L166 E167 A174 T175V113-L140 HydrophobicContact CB-CD1 4.15Å; V113-L140 HydrophobicContact CG1-CD1 3.84Å; I115-L140 HydrophobicContact CG2-CD1 3.7Å; I134-L140 HydrophobicContact CD1-CB 4.14Å; I134-L140 HydrophobicContact CD1-CD1 4.01Å; I134-L140 HydrophobicContact CD1-CD2 4.24Å; I134-L140 HydrophobicContact CD1-CG 4.35Å; I134-L140 HydrophobicContact CG1-CB 4.36Å; L140-L166 HydrophobicContact CD1-CD1 4.09Å; L140-L166 HydrophobicContact CD2-CB 3.88Å; L140-E167 HydrophobicContact CD2-CG 4.02Å; L140-A174 HydrophobicContact CB-CB 4.39Å; L140-A174 HydrophobicContact CD2-CB 3.82Å; L140-A174 HydrophobicContact CG-CB 3.75Å; L140-A174 CarbonylContact O-C 3.59Å; L140-A174 VanDerWaalsContact O-CA 3.27Å; L140-A174 WeakPolarHBondContact O-CA 3.48Å; L140-T175 PolarHBondContact O-N 3.3Å
141I98.8Very high93.9Very high4 Ų467.1 Ų67.12%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-110.8116.7178.7-59.4168.8000108.2L82 L83 V113 V114 I115 T175 V177L82-I141 HydrophobicContact CD2-CD1 3.99Å; L82-I141 HydrophobicContact CD2-CG1 4.15Å; L82-I141 HydrophobicContact CD2-CG2 4.12Å; L82-I141 HydrophobicContact CG-CD1 4.45Å; L83-I141 HydrophobicContact CD2-CD1 3.96Å; V113-I141 PolarHBondContact O-N 3.01Å; V114-I141 CarbonylContact C-O 3.56Å; V114-I141 VanDerWaalsContact CA-O 3.3Å; V114-I141 WeakPolarHBondContact CA-O 3.46Å; V114-I141 HydrophobicContact CG2-CB 4.16Å; V114-I141 HydrophobicContact CG2-CD1 4.28Å; V114-I141 HydrophobicContact CG2-CG2 4.45Å; I115-I141 WeakPolarHBondContact CG2-O 3.38Å; I115-I141 PolarHBondContact N-O 2.81Å; I141-T175 CarbonylContact C-O 3.5Å; I141-T175 WeakPolarHBondContact CA-O 3.46Å; I141-V177 HydrophobicContact CG2-CG1 3.87Å; I141-V177 HydrophobicContact CG2-CG2 4.44Å
142A98.4Very high93Very high0 Ų074.3 Ų74.30%035%0.35CS..EExtended strand (participates in β ladder)trans-103.5127.3178.100000110.6I115 H144 K145 V163 A174 T175 V176 V177I115-A142 HydrophobicContact CG2-CB 4.11Å; A142-H144 VanDerWaalsContact C-N 3.3Å; A142-H144 PolarHBondContact O-N 3.49Å; A142-K145 HydrophobicContact CB-CG 4.31Å; A142-V163 HydrophobicContact CB-CG1 3.83Å; A142-V163 HydrophobicContact CB-CG2 3.8Å; A142-A174 HydrophobicContact CB-CB 3.96Å; A142-T175 PolarHBondContact N-O 2.89Å; A142-V176 HydrophobicContact CB-CG2 4.37Å; A142-V176 WeakPolarHBondContact O-CA 3.12Å; A142-V177 PolarHBondContact O-N 2.95Å
143I97.6Very high92.4Very high0 Ų072.8 Ų72.80%035%0.353CS..SBendtrans-59-46.1176-56.2-56.7000109.9S75 L76 A79 V114 I115 V177 G178S75-I143 VanDerWaalsContact CB-CG2 3.46Å; S75-I143 WeakPolarHBondContact OG-CG2 3.5Å; L76-I143 HydrophobicContact CD2-CD1 4.01Å; L76-I143 HydrophobicContact CD2-CG1 4.19Å; L76-I143 HydrophobicContact CD2-CG2 4.32Å; A79-I143 HydrophobicContact CB-CD1 3.34Å; V114-I143 HydrophobicContact CG1-CD1 3.73Å; V114-I143 HydrophobicContact CG1-CG1 4.34Å; I115-I143 PolarHBondContact O-N 3.37Å; I143-V177 HydrophobicContact CD1-CG2 4.36Å; I143-G178 VanDerWaalsContact O-CA 3.28Å; I143-G178 WeakPolarHBondContact O-CA 3.33Å; I143-G178 PolarHBondContact O-N 3.43Å
144H94.5Very high91.7Very high21 Ų2172.6 Ų72.610%0.09736%0.357CS..  trans-161.6168.4169.463.2100.1000109.9T49 A142 A146 P159T49-H144 VanDerWaalsContact CG2-NE2 3.31Å; T49-H144 WeakPolarHBondContact CG2-NE2 3.1Å; A142-H144 VanDerWaalsContact C-N 3.3Å; A142-H144 PolarHBondContact O-N 3.49Å; H144-A146 VanDerWaalsContact ND1-CB 3.34Å; H144-A146 WeakPolarHBondContact ND1-CB 3.48Å; H144-A146 PolarHBondContact ND1-N 2.89Å; H144-P159 WeakPolarHBondContact CE1-CG 3.26Å; H144-P159 WeakPolarHBondContact O-CG 3.3Å
145K94.9Very high90.8Very high78 Ų7877.4 Ų77.434%0.33938%0.383SS..  trans-116.836.8-178.7-65.7-177.570.7172.40113.6A142 R147 V163 E167 V176A142-K145 HydrophobicContact CB-CG 4.31Å; K145-R147 PolarHBondContact O-N 2.85Å; K145-V163 HydrophobicContact CD-CG1 3.94Å; K145-V163 HydrophobicContact CG-CB 4.37Å; K145-V163 HydrophobicContact CG-CG1 3.98Å; K145-E167 IonicContact NZ-OE1 3.55Å; K145-E167 PolarHBondContact NZ-OE1 2.99Å; K145-E167 IonicContact NZ-OE2 3.6Å; K145-E167 PolarHBondContact NZ-OE2 3.25Å; K145-V176 HydrophobicContact CD-CG2 3.52Å; K145-V176 HydrophobicContact CG-CG2 3.82Å
146A91.1Very high90.4Very high34 Ų3473.7 Ų73.728%0.28137%0.366SS..  trans-58.8131177.300000110.3H144 G158 G160H144-A146 VanDerWaalsContact ND1-CB 3.34Å; H144-A146 WeakPolarHBondContact ND1-CB 3.48Å; H144-A146 PolarHBondContact ND1-N 2.89Å; A146-G158 WeakPolarHBondContact O-CA 3.44Å; A146-G160 WeakPolarHBondContact O-CA 3.25Å; A146-G160 PolarHBondContact O-N 3.16Å
147R88.1Confident90.2Very high191 Ų19171.9 Ų71.972%0.72136%0.356SS*.SBendtrans-65.4-43.9-178.9-65.7179.1179.6130.2-0.9111.6K145 G158K145-R147 PolarHBondContact O-N 2.85Å; R147-G158 PolarHBondContact O-N 3.29Å; R147-G158 VanDerWaalsContact O-N 3.09Å
148Y84.9Confident89.9Confident143 Ų14369 Ų6956%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-153.9167.3-178.451.7-102.2000109.9L155 A156Y148-L155 HydrophobicContact CD2-CD1 4.43Å; Y148-L155 HydrophobicContact CD2-CD2 3.91Å; Y148-L155 HydrophobicContact CE2-CD1 4.47Å; Y148-L155 HydrophobicContact CE2-CD2 4.23Å; Y148-A156 CarbonylContact C-O 3.52Å; Y148-A156 WeakPolarHBondContact CA-O 3.46Å; Y148-A156 WeakPolarHBondContact CB-O 3.34Å
149Y82Confident89.8Confident60 Ų6068.4 Ų68.424%0.23532%0.321CS..EExtended strand (participates in β ladder)trans-135.9160.7169.472.7-73.3000110.2L117 R151 A156 L157L117-Y149 HydrophobicContact CD1-CE1 4.41Å; L117-Y149 HydrophobicContact CD2-CD1 3.82Å; L117-Y149 HydrophobicContact CD2-CE1 3.41Å; L117-Y149 VanDerWaalsContact CD2-CE1 3.41Å; L117-Y149 HydrophobicContact CD2-CE2 4.48Å; Y149-R151 HydrophobicContact CD2-CG 4.04Å; Y149-R151 HydrophobicContact CE2-CG 3.32Å; Y149-R151 WeakPolarHBondContact OH-CD 3.5Å; Y149-A156 HydrophobicContact CD1-CB 4.24Å; Y149-A156 HydrophobicContact CE1-CB 3.68Å; Y149-A156 PolarHBondContact N-O 2.98Å; Y149-A156 PolarHBondContact O-N 2.96Å; Y149-L157 WeakPolarHBondContact CE1-O 3.43Å
150K75.2Confident89.7Confident155 Ų15566.7 Ų66.767%0.67431%0.311SS*.EExtended strand (participates in β ladder)trans-87.3130.6178.2-171.869.2-179.3-178.30110L155K150-L155 HydrophobicContact CD-CD2 3.92Å
151R80.4Confident89.7Confident117 Ų11769 Ų6944%0.44233%0.326SS..EExtended strand (participates in β ladder)trans-115.7171.1167.9-65.3172.160.5153.30.2109.8Y149 D153 G154 A156Y149-R151 HydrophobicContact CD2-CG 4.04Å; Y149-R151 HydrophobicContact CE2-CG 3.32Å; Y149-R151 WeakPolarHBondContact OH-CD 3.5Å; R151-D153 WeakPolarHBondContact CB-OD1 3.39Å; R151-D153 IonicContact CZ-OD1 2.93Å; R151-D153 IonicContact CZ-OD2 3.27Å; R151-D153 IonicContact NE-OD1 2.79Å; R151-D153 PolarHBondContact NE-OD1 3.13Å; R151-D153 IonicContact NE-OD2 3.05Å; R151-D153 IonicContact NH2-OD1 2.59Å; R151-D153 IonicContact NH2-OD2 2.65Å; R151-D153 PolarHBondContact O-N 3.11Å; R151-G154 PolarHBondContact N-O 3.04Å; R151-G154 PolarHBondContact O-N 3.16Å; R151-A156 HydrophobicContact CG-CB 4.05Å
152K80.3Confident89.7Confident201 Ų20171 Ų7187%0.87434%0.335SS*.THydrogen-bonded Turntrans-56.9-34.8174-64.4-173.5179.1-177.20112.6
153D86.8Confident89.7Confident122 Ų12271 Ų7165%0.65234%0.335SS*.THydrogen-bonded Turntrans-92.5-2.9-177.458.6-31.3000114.5R151R151-D153 WeakPolarHBondContact CB-OD1 3.39Å; R151-D153 IonicContact CZ-OD1 2.93Å; R151-D153 IonicContact CZ-OD2 3.27Å; R151-D153 IonicContact NE-OD1 2.79Å; R151-D153 PolarHBondContact NE-OD1 3.13Å; R151-D153 IonicContact NE-OD2 3.05Å; R151-D153 IonicContact NH2-OD1 2.59Å; R151-D153 IonicContact NH2-OD2 2.65Å; R151-D153 PolarHBondContact O-N 3.11Å
154G83.1Confident89.8Confident20 Ų2074.2 Ų74.221%0.20636%0.355CS..EExtended strand (participates in β ladder)trans141-161.2179.100000114.1R151R151-G154 PolarHBondContact N-O 3.04Å; R151-G154 PolarHBondContact O-N 3.16Å
155L81.6Confident90Very high116 Ų11675.2 Ų75.261%0.60737%0.37SS*.EExtended strand (participates in β ladder)trans-81.8136.6170.2-64.7178000109.1Y148 K150Y148-L155 HydrophobicContact CD2-CD1 4.43Å; Y148-L155 HydrophobicContact CD2-CD2 3.91Å; Y148-L155 HydrophobicContact CE2-CD1 4.47Å; Y148-L155 HydrophobicContact CE2-CD2 4.23Å; K150-L155 HydrophobicContact CD-CD2 3.92Å
156A88.6Confident90.1Very high22 Ų2271.9 Ų71.918%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-124.8154173.500000110.9Y148 Y149 R151 G158Y148-A156 CarbonylContact C-O 3.52Å; Y148-A156 WeakPolarHBondContact CA-O 3.46Å; Y148-A156 WeakPolarHBondContact CB-O 3.34Å; Y149-A156 HydrophobicContact CD1-CB 4.24Å; Y149-A156 HydrophobicContact CE1-CB 3.68Å; Y149-A156 PolarHBondContact N-O 2.98Å; Y149-A156 PolarHBondContact O-N 2.96Å; R151-A156 HydrophobicContact CG-CB 4.05Å; A156-G158 PolarHBondContact O-N 3.5Å
157L93.8Very high90.5Very high106 Ų10671.4 Ų71.456%0.55535%0.348SS*.EExtended strand (participates in β ladder)trans-59.4134.4178.1-63.5174.7000110.5Y149 P161 F162Y149-L157 WeakPolarHBondContact CE1-O 3.43Å; L157-P161 HydrophobicContact CD2-CG 4.05Å; L157-F162 HydrophobicContact CB-CE2 4.16Å; L157-F162 HydrophobicContact CD1-CE2 4.4Å; L157-F162 HydrophobicContact CD1-CZ 4.24Å
158G92.8Very high91Very high1 Ų172.3 Ų72.31%0.0135%0.353CS..  trans-83.7-169.3169.200000110.9A146 R147 A156 G160 P161 F162A146-G158 WeakPolarHBondContact O-CA 3.44Å; R147-G158 PolarHBondContact O-N 3.29Å; R147-G158 VanDerWaalsContact O-N 3.09Å; A156-G158 PolarHBondContact O-N 3.5Å; G158-G160 VanDerWaalsContact C-N 3.32Å; G158-P161 WeakPolarHBondContact O-CD 3.38Å; G158-F162 WeakPolarHBondContact O-CD2 3.43Å
159P96.2Very high91.7Very high1 Ų168 Ų681%0.00635%0.347CS..SBendtrans-73.5-24.6174.128.7-31.7000112.8G116 L117 F122 H144 F162 V163G116-P159 WeakPolarHBondContact O-CB 3.05Å; L117-P159 HydrophobicContact CB-CB 4.39Å; L117-P159 HydrophobicContact CB-CG 4.38Å; F122-P159 HydrophobicContact CZ-CB 4.44Å; H144-P159 WeakPolarHBondContact CE1-CG 3.26Å; H144-P159 WeakPolarHBondContact O-CG 3.3Å; P159-F162 PolarHBondContact O-N 3.16Å; P159-V163 WeakPolarHBondContact O-CG2 3.31Å; P159-V163 PolarHBondContact O-N 3.06Å
160G96.6Very high92.4Very high4 Ų466.3 Ų66.34%0.04134%0.343CS..Hα-helixtrans-51.8-46.7-174.900000115A146 G158 F162 V163 T164A146-G160 WeakPolarHBondContact O-CA 3.25Å; A146-G160 PolarHBondContact O-N 3.16Å; G158-G160 VanDerWaalsContact C-N 3.32Å; G160-F162 VanDerWaalsContact C-N 3.32Å; G160-F162 PolarHBondContact O-N 3.23Å; G160-V163 PolarHBondContact O-N 2.85Å; G160-T164 VanDerWaalsContact O-CB 3.3Å; G160-T164 WeakPolarHBondContact O-CB 3.44Å; G160-T164 PolarHBondContact O-N 3.16Å; G160-T164 PolarHBondContact O-OG1 2.76Å
161P98.4Very high93.5Very high53 Ų5366.6 Ų66.634%0.34435%0.352SS..Hα-helixtrans-55.7-41.4174.2-28.636.3000114.2L157 G158 G165L157-P161 HydrophobicContact CD2-CG 4.05Å; G158-P161 WeakPolarHBondContact O-CD 3.38Å; P161-G165 PolarHBondContact O-N 3.1Å
162F98.6Very high94.3Very high46 Ų4662.8 Ų62.820%0.20234%0.343CS..Hα-helixtrans-76.2-39.7-178.6-57.4-85.6000111.8I115 F122 L127 L157 G158 P159 G160 T164 G165 L166I115-F162 HydrophobicContact CD1-CB 4.01Å; F122-F162 HydrophobicContact CB-CD1 3.92Å; F122-F162 HydrophobicContact CB-CE1 3.59Å; F122-F162 HydrophobicContact CB-CE2 4.49Å; F122-F162 HydrophobicContact CB-CG 4.5Å; F122-F162 HydrophobicContact CB-CZ 3.9Å; F122-F162 HydrophobicContact CD1-CB 4.39Å; F122-F162 HydrophobicContact CD1-CD1 4.2Å; F122-F162 HydrophobicContact CD1-CG 4.12Å; F122-F162 AromaticContact CD2-CD1 3.91Å; F122-F162 HydrophobicContact CD2-CD1 3.91Å; F122-F162 AromaticContact CD2-CD2 3.32Å; F122-F162 HydrophobicContact CD2-CD2 3.32Å; F122-F162 AromaticContact CD2-CE1 3.83Å; F122-F162 HydrophobicContact CD2-CE1 3.83Å; F122-F162 AromaticContact CD2-CE2 3.22Å; F122-F162 HydrophobicContact CD2-CE2 3.22Å; F122-F162 AromaticContact CD2-CG 3.66Å; F122-F162 HydrophobicContact CD2-CG 3.66Å; F122-F162 AromaticContact CD2-CZ 3.48Å; F122-F162 HydrophobicContact CD2-CZ 3.48Å; F122-F162 VanDerWaalsContact CD2-CZ 3.48Å; F122-F162 HydrophobicContact CE1-CB 4.06Å; F122-F162 HydrophobicContact CE1-CD2 4.42Å; F122-F162 HydrophobicContact CE1-CG 4.13Å; F122-F162 HydrophobicContact CE2-CB 4.23Å; F122-F162 HydrophobicContact CE2-CD1 4.36Å; F122-F162 AromaticContact CE2-CD2 3.13Å; F122-F162 HydrophobicContact CE2-CD2 3.13Å; F122-F162 AromaticContact CE2-CE2 3.44Å; F122-F162 HydrophobicContact CE2-CE2 3.44Å; F122-F162 VanDerWaalsContact CE2-CE2 3.44Å; F122-F162 AromaticContact CE2-CG 3.65Å; F122-F162 HydrophobicContact CE2-CG 3.65Å; F122-F162 HydrophobicContact CE2-CZ 4.17Å; F122-F162 AromaticContact CG-CD1 3.77Å; F122-F162 HydrophobicContact CG-CD1 3.77Å; F122-F162 HydrophobicContact CG-CD2 4.02Å; F122-F162 AromaticContact CG-CE1 3.82Å; F122-F162 HydrophobicContact CG-CE1 3.82Å; F122-F162 HydrophobicContact CG-CE2 4.07Å; F122-F162 AromaticContact CG-CG 3.86Å; F122-F162 HydrophobicContact CG-CG 3.86Å; F122-F162 AromaticContact CG-CZ 3.96Å; F122-F162 HydrophobicContact CG-CZ 3.96Å; F122-F162 HydrophobicContact CZ-CB 3.92Å; F122-F162 AromaticContact CZ-CD2 3.71Å; F122-F162 HydrophobicContact CZ-CD2 3.71Å; F122-F162 HydrophobicContact CZ-CE2 4.42Å; F122-F162 AromaticContact CZ-CG 3.85Å; F122-F162 HydrophobicContact CZ-CG 3.85Å; L127-F162 HydrophobicContact CD1-CD1 3.99Å; L157-F162 HydrophobicContact CB-CE2 4.16Å; L157-F162 HydrophobicContact CD1-CE2 4.4Å; L157-F162 HydrophobicContact CD1-CZ 4.24Å; G158-F162 WeakPolarHBondContact O-CD2 3.43Å; P159-F162 PolarHBondContact O-N 3.16Å; G160-F162 VanDerWaalsContact C-N 3.32Å; G160-F162 PolarHBondContact O-N 3.23Å; F162-T164 VanDerWaalsContact C-N 3.33Å; F162-T164 PolarHBondContact O-N 3.19Å; F162-G165 PolarHBondContact O-N 3.05Å; F162-L166 PolarHBondContact O-N 3.32Å; F162-L166 VanDerWaalsContact O-N 3.1Å
163V98.6Very high95.1Very high0 Ų062.2 Ų62.20%034%0.34CS..Hα-helixtrans-56.7-49.8170177.60000110.1I115 A142 K145 P159 G160 G165 L166 E167 A174I115-V163 HydrophobicContact CD1-CG2 4.18Å; I115-V163 HydrophobicContact CG1-CG2 4.26Å; I115-V163 HydrophobicContact CG2-CG2 3.65Å; A142-V163 HydrophobicContact CB-CG1 3.83Å; A142-V163 HydrophobicContact CB-CG2 3.8Å; K145-V163 HydrophobicContact CD-CG1 3.94Å; K145-V163 HydrophobicContact CG-CB 4.37Å; K145-V163 HydrophobicContact CG-CG1 3.98Å; P159-V163 WeakPolarHBondContact O-CG2 3.31Å; P159-V163 PolarHBondContact O-N 3.06Å; G160-V163 PolarHBondContact O-N 2.85Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 2.94Å; V163-L166 PolarHBondContact O-N 3.23Å; V163-E167 HydrophobicContact CG1-CG 4.4Å; V163-E167 WeakPolarHBondContact O-CG 2.94Å; V163-E167 PolarHBondContact O-N 3.11Å; V163-A174 HydrophobicContact CG1-CB 3.65Å
164T98.6Very high95.7Very high68 Ų6857.1 Ų57.142%0.41732%0.315SS..Hα-helixtrans-66.8-34.3-177.7-51.70000111.4G160 F162 E167 Y168G160-T164 VanDerWaalsContact O-CB 3.3Å; G160-T164 WeakPolarHBondContact O-CB 3.44Å; G160-T164 PolarHBondContact O-N 3.16Å; G160-T164 PolarHBondContact O-OG1 2.76Å; F162-T164 VanDerWaalsContact C-N 3.33Å; F162-T164 PolarHBondContact O-N 3.19Å; T164-E167 PolarHBondContact O-N 2.93Å; T164-Y168 VanDerWaalsContact O-CB 3.25Å; T164-Y168 WeakPolarHBondContact O-CB 3.45Å; T164-Y168 PolarHBondContact O-N 3.12Å
165G98.6Very high96.4Very high41 Ų4159.7 Ų59.742%0.42333%0.327SS..Hα-helixtrans-61.4-42.617300000112.6P161 F162 V163 A169P161-G165 PolarHBondContact O-N 3.1Å; F162-G165 PolarHBondContact O-N 3.05Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 2.94Å; G165-A169 VanDerWaalsContact O-CB 3.31Å; G165-A169 WeakPolarHBondContact O-CB 3.31Å; G165-A169 PolarHBondContact O-N 3.14Å
166L98.8Very high97.2Very high8 Ų855.2 Ų55.24%0.04230%0.304CS..Hα-helixtrans-68.1-44.9175.2-69.9171.4000112I115 L127 A130 F131 I134 L140 F162 V163 Y168 A169 T170I115-L166 HydrophobicContact CD1-CD1 3.98Å; L127-L166 HydrophobicContact CD2-CD1 4.47Å; A130-L166 HydrophobicContact CB-CD1 4.31Å; A130-L166 HydrophobicContact CB-CD2 4.35Å; F131-L166 HydrophobicContact CB-CD2 4Å; I134-L166 HydrophobicContact CD1-CB 4.24Å; I134-L166 HydrophobicContact CD1-CD1 4.32Å; I134-L166 HydrophobicContact CD1-CD2 4.31Å; L140-L166 HydrophobicContact CD1-CD1 4.09Å; L140-L166 HydrophobicContact CD2-CB 3.88Å; F162-L166 PolarHBondContact O-N 3.32Å; F162-L166 VanDerWaalsContact O-N 3.1Å; V163-L166 PolarHBondContact O-N 3.23Å; L166-Y168 VanDerWaalsContact C-N 3.33Å; L166-Y168 PolarHBondContact O-N 3.26Å; L166-A169 PolarHBondContact O-N 2.59Å; L166-T170 WeakPolarHBondContact O-CB 3.29Å; L166-T170 WeakPolarHBondContact O-CG2 3.31Å; L166-T170 PolarHBondContact O-N 2.87Å; L166-T170 VanDerWaalsContact O-N 3.1Å; L166-T170 PolarHBondContact O-OG1 3.46Å
167E98.8Very high97.6Very high24 Ų2454.5 Ų54.511%0.11230%0.297CS..Hα-helixtrans-55.4-48.9174.1-73177.1152.400111.1L140 K145 V163 T164 A169 T170 D171 C172 A174L140-E167 HydrophobicContact CD2-CG 4.02Å; K145-E167 IonicContact NZ-OE1 3.55Å; K145-E167 PolarHBondContact NZ-OE1 2.99Å; K145-E167 IonicContact NZ-OE2 3.6Å; K145-E167 PolarHBondContact NZ-OE2 3.25Å; V163-E167 HydrophobicContact CG1-CG 4.4Å; V163-E167 WeakPolarHBondContact O-CG 2.94Å; V163-E167 PolarHBondContact O-N 3.11Å; T164-E167 PolarHBondContact O-N 2.93Å; E167-A169 PolarHBondContact O-N 2.62Å; E167-T170 PolarHBondContact O-N 2.91Å; E167-T170 PolarHBondContact O-OG1 3.44Å; E167-D171 WeakPolarHBondContact O-CA 3.4Å; E167-D171 PolarHBondContact O-N 3.34Å; E167-C172 WeakPolarHBondContact CA-O 3.41Å; E167-C172 VanDerWaalsContact CB-O 3.25Å; E167-C172 WeakPolarHBondContact CB-O 3.44Å; E167-C172 WeakPolarHBondContact CG-O 3.31Å; E167-C172 PolarHBondContact O-N 3.33Å; E167-A174 HydrophobicContact CG-CB 4.23Å; E167-A174 VanDerWaalsContact OE1-CB 3.32Å; E167-A174 WeakPolarHBondContact OE1-CB 3.4Å; E167-A174 PolarHBondContact OE1-N 3.45Å
168Y98.8Very high97.8Very high210 Ų21049.4 Ų49.482%0.82427%0.271SS*.Hα-helixtrans-62.6-43.6178.9-178.8-91.5000112.3T164 L166 T170T164-Y168 VanDerWaalsContact O-CB 3.25Å; T164-Y168 WeakPolarHBondContact O-CB 3.45Å; T164-Y168 PolarHBondContact O-N 3.12Å; L166-Y168 VanDerWaalsContact C-N 3.33Å; L166-Y168 PolarHBondContact O-N 3.26Å; Y168-T170 PolarHBondContact O-N 2.78Å
169A98.5Very high97.9Very high53 Ų5349.8 Ų49.844%0.43827%0.272SS..Hα-helixtrans-66.5-26.1-178.800000113F131 G165 L166 E167F131-A169 HydrophobicContact CD2-CB 3.75Å; F131-A169 HydrophobicContact CE2-CB 3.75Å; F131-A169 WeakPolarHBondContact CE2-O 3.47Å; G165-A169 VanDerWaalsContact O-CB 3.31Å; G165-A169 WeakPolarHBondContact O-CB 3.31Å; G165-A169 PolarHBondContact O-N 3.14Å; L166-A169 PolarHBondContact O-N 2.59Å; E167-A169 PolarHBondContact O-N 2.62Å
170T98.5Very high97.9Very high24 Ų2452.3 Ų52.315%0.14729%0.289CS..Hα-helixtrans-112.8-3.4-171.957.80000114F131 I134 L135 L166 E167 Y168 C172F131-T170 HydrophobicContact CD2-CG2 3.44Å; F131-T170 VanDerWaalsContact CD2-CG2 3.44Å; F131-T170 HydrophobicContact CE2-CG2 3.72Å; I134-T170 HydrophobicContact CB-CG2 3.95Å; I134-T170 HydrophobicContact CG2-CG2 3.65Å; L135-T170 HydrophobicContact CD2-CG2 4.17Å; L135-T170 HydrophobicContact CG-CG2 4.39Å; L166-T170 WeakPolarHBondContact O-CB 3.29Å; L166-T170 WeakPolarHBondContact O-CG2 3.31Å; L166-T170 PolarHBondContact O-N 2.87Å; L166-T170 VanDerWaalsContact O-N 3.1Å; L166-T170 PolarHBondContact O-OG1 3.46Å; E167-T170 PolarHBondContact O-N 2.91Å; E167-T170 PolarHBondContact O-OG1 3.44Å; Y168-T170 PolarHBondContact O-N 2.78Å; T170-C172 PolarHBondContact O-N 2.63Å; T170-C172 VanDerWaalsContact O-N 3.16Å; T170-C172 WeakPolarHBondContact OG1-CB 3.28Å; T170-C172 PolarHBondContact OG1-SG 2.99Å
171D97.8Very high98Very high161 Ų16156 Ų5686%0.86131%0.305SS*.THydrogen-bonded Turntrans51.429.2-170-158.831.7000113.3E167E167-D171 WeakPolarHBondContact O-CA 3.4Å; E167-D171 PolarHBondContact O-N 3.34Å
172C96.8Very high97.9Very high37 Ų3759.1 Ų59.125%0.2531%0.313CS..  trans-104.4167.1178.4970000111I134 E167 T170I134-C172 HydrophobicContact CG2-CB 4.35Å; E167-C172 WeakPolarHBondContact CA-O 3.41Å; E167-C172 VanDerWaalsContact CB-O 3.25Å; E167-C172 WeakPolarHBondContact CB-O 3.44Å; E167-C172 WeakPolarHBondContact CG-O 3.31Å; E167-C172 PolarHBondContact O-N 3.33Å; T170-C172 PolarHBondContact O-N 2.63Å; T170-C172 VanDerWaalsContact O-N 3.16Å; T170-C172 WeakPolarHBondContact OG1-CB 3.28Å; T170-C172 PolarHBondContact OG1-SG 2.99Å
173K97.9Very high97.8Very high190 Ų19060.2 Ų60.283%0.82632%0.324SS*.  trans-114.6134.4168.5-70.1-172178.3179.90110.2
174A98.3Very high97.8Very high15 Ų1560.2 Ų60.212%0.12432%0.324CS..  trans-69.7140.317400000110.3L140 A142 V163 E167 V176L140-A174 HydrophobicContact CB-CB 4.39Å; L140-A174 HydrophobicContact CD2-CB 3.82Å; L140-A174 HydrophobicContact CG-CB 3.75Å; L140-A174 CarbonylContact O-C 3.59Å; L140-A174 VanDerWaalsContact O-CA 3.27Å; L140-A174 WeakPolarHBondContact O-CA 3.48Å; A142-A174 HydrophobicContact CB-CB 3.96Å; V163-A174 HydrophobicContact CG1-CB 3.65Å; E167-A174 HydrophobicContact CG-CB 4.23Å; E167-A174 VanDerWaalsContact OE1-CB 3.32Å; E167-A174 WeakPolarHBondContact OE1-CB 3.4Å; E167-A174 PolarHBondContact OE1-N 3.45Å; A174-V176 PolarHBondContact O-N 2.86Å
175T98.3Very high97.7Very high73 Ų7357 Ų5745%0.44830%0.304SS..EExtended strand (participates in β ladder)trans-77.2107.9162.7-60.20000107.9L82 L140 I141 A142 V177L82-T175 HydrophobicContact CD2-CG2 3.91Å; L140-T175 PolarHBondContact O-N 3.3Å; I141-T175 CarbonylContact C-O 3.5Å; I141-T175 WeakPolarHBondContact CA-O 3.46Å; A142-T175 PolarHBondContact N-O 2.89Å; T175-V177 HydrophobicContact CG2-CG1 4.45Å
176V98.2Very high97.6Very high23 Ų2357.5 Ų57.514%0.13930%0.299CS..EExtended strand (participates in β ladder)trans-81.2136.9174-174.40000108.6A142 K145 A174 E181A142-V176 HydrophobicContact CB-CG2 4.37Å; A142-V176 WeakPolarHBondContact O-CA 3.12Å; K145-V176 HydrophobicContact CD-CG2 3.52Å; K145-V176 HydrophobicContact CG-CG2 3.82Å; A174-V176 PolarHBondContact O-N 2.86Å; V176-E181 HydrophobicContact CB-CG 3.82Å; V176-E181 HydrophobicContact CG1-CG 3.87Å; V176-E181 WeakPolarHBondContact O-CG 3.48Å
177V97.8Very high97.5Very high6 Ų659.2 Ų59.24%0.03631%0.307CS..  trans-115.6-18.1-177.9-63.40000114.3A78 A79 L82 I141 A142 I143 T175 F184A78-V177 HydrophobicContact CB-CB 4.1Å; A78-V177 HydrophobicContact CB-CG2 4.43Å; A79-V177 HydrophobicContact CB-CG2 3.88Å; L82-V177 HydrophobicContact CD2-CG1 3.62Å; I141-V177 HydrophobicContact CG2-CG1 3.87Å; I141-V177 HydrophobicContact CG2-CG2 4.44Å; A142-V177 PolarHBondContact O-N 2.95Å; I143-V177 HydrophobicContact CD1-CG2 4.36Å; T175-V177 HydrophobicContact CG2-CG1 4.45Å; V177-F184 WeakPolarHBondContact O-CD2 3.41Å
178G96.8Very high97.4Very high0 Ų058.1 Ų58.10%030%0.301CS..SBendtrans-83.6179.8174.500000113.6N47 I143 E181N47-G178 VanDerWaalsContact OD1-CA 3.26Å; N47-G178 WeakPolarHBondContact OD1-CA 3.2Å; I143-G178 VanDerWaalsContact O-CA 3.28Å; I143-G178 WeakPolarHBondContact O-CA 3.33Å; I143-G178 PolarHBondContact O-N 3.43Å; G178-E181 VanDerWaalsContact O-CB 3.24Å; G178-E181 WeakPolarHBondContact O-CB 3.33Å; G178-E181 WeakPolarHBondContact O-CG 3Å; G178-E181 PolarHBondContact O-N 3.43Å
179K96.4Very high97.3Very high9 Ų948.2 Ų48.24%0.03926%0.263CS..THydrogen-bonded Turntrans-53.3142.1168.6-59.6-180-73.7-177.30110.7D13 N47 F184 F185 D208 D209D13-K179 IonicContact OD1-NZ 2.61Å; D13-K179 PolarHBondContact OD1-NZ 3.29Å; N47-K179 WeakPolarHBondContact ND2-CB 3.33Å; N47-K179 PolarHBondContact ND2-N 2.84Å; N47-K179 PolarHBondContact ND2-O 2.75Å; N47-K179 PolarHBondContact OD1-N 3.37Å; K179-F184 HydrophobicContact CD-CD1 4.25Å; K179-F184 HydrophobicContact CD-CE1 3.79Å; K179-F184 HydrophobicContact CD-CZ 4.4Å; K179-F184 HydrophobicContact CG-CD1 3.39Å; K179-F184 HydrophobicContact CG-CE1 3.37Å; K179-F184 HydrophobicContact CG-CG 4.04Å; K179-F184 HydrophobicContact CG-CZ 4.01Å; K179-F185 HydrophobicContact CB-CZ 4.32Å; K179-F185 HydrophobicContact CD-CE1 4.29Å; K179-F185 HydrophobicContact CD-CZ 4.12Å; K179-F185 HydrophobicContact CG-CE1 4.27Å; K179-F185 HydrophobicContact CG-CE2 4.35Å; K179-F185 HydrophobicContact CG-CZ 3.8Å; K179-D208 HydrophobicContact CB-CB 4.12Å; K179-D208 WeakPolarHBondContact CB-O 3.31Å; K179-D209 VanDerWaalsContact CD-OD1 3.26Å; K179-D209 WeakPolarHBondContact CD-OD1 3.49Å; K179-D209 VanDerWaalsContact CE-OD1 3.3Å; K179-D209 WeakPolarHBondContact CE-OD1 3.39Å; K179-D209 IonicContact NZ-OD1 3.31Å; K179-D209 PolarHBondContact NZ-OD1 3.48Å
180P95.8Very high97.1Very high54 Ų5449.3 Ų49.335%0.35127%0.267SS..THydrogen-bonded Turncis-87.214.46.533-34.3000115.5K182 G212P180-K182 PolarHBondContact O-N 2.71Å; P180-G212 WeakPolarHBondContact O-CA 3.34Å
181E97.3Very high96.6Very high80 Ų8053.9 Ų53.937%0.37429%0.291SS..  trans-62.5133.7-171.7-64.4-62.5146.200112.3V176 G178 T183 F184 F185V176-E181 HydrophobicContact CB-CG 3.82Å; V176-E181 HydrophobicContact CG1-CG 3.87Å; V176-E181 WeakPolarHBondContact O-CG 3.48Å; G178-E181 VanDerWaalsContact O-CB 3.24Å; G178-E181 WeakPolarHBondContact O-CB 3.33Å; G178-E181 WeakPolarHBondContact O-CG 3Å; G178-E181 PolarHBondContact O-N 3.43Å; E181-T183 PolarHBondContact O-N 2.57Å; E181-T183 VanDerWaalsContact O-N 3.16Å; E181-F184 VanDerWaalsContact O-CB 3.25Å; E181-F184 WeakPolarHBondContact O-CB 3.35Å; E181-F184 PolarHBondContact O-N 2.9Å; E181-F185 WeakPolarHBondContact O-CD2 3.29Å
182K96.6Very high96.4Very high119 Ų11948.7 Ų48.752%0.51726%0.263SS..Hα-helixtrans-55.4-37.6-179.5175.5170-179.1174.80112P180 F184 F185 T186 A216P180-K182 PolarHBondContact O-N 2.71Å; K182-F184 VanDerWaalsContact C-N 3.27Å; K182-F184 PolarHBondContact O-N 3.4Å; K182-F185 PolarHBondContact O-N 3.15Å; K182-T186 HydrophobicContact CG-CG2 4.22Å; K182-T186 PolarHBondContact O-N 2.72Å; K182-T186 PolarHBondContact O-OG1 2.75Å; K182-A216 HydrophobicContact CB-CB 4.48Å; K182-A216 HydrophobicContact CG-CB 3.9Å
183T96.6Very high96Very high70 Ų7050.2 Ų50.243%0.42928%0.284SS..Hα-helixtrans-57.1-40178.947.30000111.7E181 F185 T186 Q187E181-T183 PolarHBondContact O-N 2.57Å; E181-T183 VanDerWaalsContact O-N 3.16Å; T183-F185 PolarHBondContact O-N 3.25Å; T183-T186 VanDerWaalsContact CA-OG1 3.31Å; T183-T186 WeakPolarHBondContact CA-OG1 3.38Å; T183-T186 PolarHBondContact O-N 2.8Å; T183-T186 PolarHBondContact O-OG1 3.17Å; T183-Q187 WeakPolarHBondContact O-CB 3.28Å; T183-Q187 VanDerWaalsContact O-CG 3.28Å; T183-Q187 WeakPolarHBondContact O-CG 3.17Å; T183-Q187 PolarHBondContact O-N 3.29Å
184F98Very high95.8Very high0 Ų042 Ų420%025%0.251CS..Hα-helixtrans-56.7-52177.3-179.3-91.4000111.6V45 F73 A78 V177 K179 E181 K182 Q187 A188V45-F184 HydrophobicContact CB-CE1 3.77Å; V45-F184 HydrophobicContact CB-CZ 3.89Å; V45-F184 HydrophobicContact CG1-CE1 4.08Å; V45-F184 HydrophobicContact CG1-CZ 4.34Å; V45-F184 HydrophobicContact CG2-CE1 4.37Å; F73-F184 HydrophobicContact CD1-CD2 4.31Å; F73-F184 HydrophobicContact CD1-CE1 4.44Å; F73-F184 AromaticContact CD1-CE2 3.85Å; F73-F184 HydrophobicContact CD1-CE2 3.85Å; F73-F184 AromaticContact CD1-CZ 3.92Å; F73-F184 HydrophobicContact CD1-CZ 3.92Å; F73-F184 AromaticContact CE1-CD2 3.77Å; F73-F184 HydrophobicContact CE1-CD2 3.77Å; F73-F184 AromaticContact CE1-CE2 3.74Å; F73-F184 HydrophobicContact CE1-CE2 3.74Å; F73-F184 HydrophobicContact CE1-CG 4.28Å; F73-F184 HydrophobicContact CE1-CZ 4.21Å; F73-F184 WeakPolarHBondContact CE1-O 3.19Å; A78-F184 HydrophobicContact CB-CD2 4.23Å; V177-F184 WeakPolarHBondContact O-CD2 3.41Å; K179-F184 HydrophobicContact CD-CD1 4.25Å; K179-F184 HydrophobicContact CD-CE1 3.79Å; K179-F184 HydrophobicContact CD-CZ 4.4Å; K179-F184 HydrophobicContact CG-CD1 3.39Å; K179-F184 HydrophobicContact CG-CE1 3.37Å; K179-F184 HydrophobicContact CG-CG 4.04Å; K179-F184 HydrophobicContact CG-CZ 4.01Å; E181-F184 VanDerWaalsContact O-CB 3.25Å; E181-F184 WeakPolarHBondContact O-CB 3.35Å; E181-F184 PolarHBondContact O-N 2.9Å; K182-F184 VanDerWaalsContact C-N 3.27Å; K182-F184 PolarHBondContact O-N 3.4Å; F184-Q187 PolarHBondContact O-N 2.96Å; F184-A188 WeakPolarHBondContact O-CB 3.41Å; F184-A188 PolarHBondContact O-N 3.03Å
185F98.1Very high95.6Very high0 Ų043.4 Ų43.40%026%0.26CS..Hα-helixtrans-66.3-41.2-179.3-61.7-78.2000112L11 K179 E181 K182 T183 Q187 A188 L189 M201 D208 A213 A216 M218L11-F185 HydrophobicContact CD1-CD1 4.13Å; K179-F185 HydrophobicContact CB-CZ 4.32Å; K179-F185 HydrophobicContact CD-CE1 4.29Å; K179-F185 HydrophobicContact CD-CZ 4.12Å; K179-F185 HydrophobicContact CG-CE1 4.27Å; K179-F185 HydrophobicContact CG-CE2 4.35Å; K179-F185 HydrophobicContact CG-CZ 3.8Å; E181-F185 WeakPolarHBondContact O-CD2 3.29Å; K182-F185 PolarHBondContact O-N 3.15Å; T183-F185 PolarHBondContact O-N 3.25Å; F185-Q187 PolarHBondContact O-N 3.36Å; F185-A188 PolarHBondContact O-N 3.06Å; F185-L189 WeakPolarHBondContact O-CG 3.42Å; F185-L189 PolarHBondContact O-N 3.32Å; F185-M201 HydrophobicContact CE1-CG 4.29Å; F185-M201 HydrophobicContact CE1-SD 4.3Å; F185-D208 WeakPolarHBondContact CZ-O 2.89Å; F185-A213 HydrophobicContact CD1-CB 3.94Å; F185-A213 HydrophobicContact CE1-CB 3.73Å; F185-A213 HydrophobicContact CG-CB 4.49Å; F185-A213 HydrophobicContact CZ-CB 4.13Å; F185-A216 HydrophobicContact CB-CB 3.91Å; F185-A216 HydrophobicContact CD2-CB 4.29Å; F185-A216 HydrophobicContact CG-CB 4.34Å; F185-M218 HydrophobicContact CB-SD 4.02Å; F185-M218 HydrophobicContact CD1-SD 4Å; F185-M218 HydrophobicContact CG-SD 4.28Å
186T96.8Very high95.5Very high52 Ų5241.3 Ų41.332%0.31925%0.247SC..Hα-helixtrans-67.3-35.6178.353.20000112.7K182 T183 L189 S190 P196K182-T186 HydrophobicContact CG-CG2 4.22Å; K182-T186 PolarHBondContact O-N 2.72Å; K182-T186 PolarHBondContact O-OG1 2.75Å; T183-T186 VanDerWaalsContact CA-OG1 3.31Å; T183-T186 WeakPolarHBondContact CA-OG1 3.38Å; T183-T186 PolarHBondContact O-N 2.8Å; T183-T186 PolarHBondContact O-OG1 3.17Å; T186-L189 PolarHBondContact O-N 2.89Å; T186-S190 PolarHBondContact O-N 3.38Å; T186-P196 HydrophobicContact CG2-CG 4Å
187Q96.5Very high95.5Very high44 Ų4442.6 Ų42.621%0.20626%0.258CS..Hα-helixtrans-70.6-39.5174.1-74.7177.4-13.700111.3F73 T183 F184 F185 L189 S190F73-Q187 HydrophobicContact CE1-CB 4.13Å; F73-Q187 HydrophobicContact CE2-CB 4.16Å; F73-Q187 HydrophobicContact CZ-CB 3.51Å; T183-Q187 WeakPolarHBondContact O-CB 3.28Å; T183-Q187 VanDerWaalsContact O-CG 3.28Å; T183-Q187 WeakPolarHBondContact O-CG 3.17Å; T183-Q187 PolarHBondContact O-N 3.29Å; F184-Q187 PolarHBondContact O-N 2.96Å; F185-Q187 PolarHBondContact O-N 3.36Å; Q187-L189 PolarHBondContact O-N 3.04Å; Q187-L189 VanDerWaalsContact O-N 3.15Å; Q187-S190 PolarHBondContact O-N 2.97Å; Q187-S190 VanDerWaalsContact O-N 3.14Å; Q187-S190 PolarHBondContact O-OG 3.07Å
188A96.8Very high95.4Very high0 Ų044.2 Ų44.20%027%0.265CS..Hα-helixtrans-58.7-29.7175.200000112.8L11 K43 V45 F73 F184 F185L11-A188 HydrophobicContact CD1-CB 3.92Å; L11-A188 HydrophobicContact CD2-CB 4.2Å; K43-A188 WeakPolarHBondContact CE-O 3.12Å; V45-A188 HydrophobicContact CG1-CB 3.84Å; F73-A188 HydrophobicContact CB-CB 4.36Å; F73-A188 HydrophobicContact CD1-CB 3.63Å; F73-A188 HydrophobicContact CE1-CB 4.14Å; F73-A188 HydrophobicContact CG-CB 4.06Å; F184-A188 WeakPolarHBondContact O-CB 3.41Å; F184-A188 PolarHBondContact O-N 3.03Å; F185-A188 PolarHBondContact O-N 3.06Å
189L96.7Very high95.5Very high2 Ų244.3 Ų44.31%0.0127%0.266CS..Hα-helixtrans-90.8-13.8179.2-66.1173000114.5A9 L11 F185 T186 Q187 D191 L192 G193 P196 A199 M218A9-L189 HydrophobicContact CB-CD2 3.86Å; L11-L189 HydrophobicContact CD1-CD2 4.25Å; L11-L189 HydrophobicContact CD1-CG 4.23Å; L11-L189 HydrophobicContact CD2-CD2 3.81Å; L11-L189 HydrophobicContact CD2-CG 4.47Å; L11-L189 HydrophobicContact CG-CD2 4.03Å; F185-L189 WeakPolarHBondContact O-CG 3.42Å; F185-L189 PolarHBondContact O-N 3.32Å; T186-L189 PolarHBondContact O-N 2.89Å; Q187-L189 PolarHBondContact O-N 3.04Å; Q187-L189 VanDerWaalsContact O-N 3.15Å; L189-D191 VanDerWaalsContact C-N 3.34Å; L189-D191 PolarHBondContact O-N 2.92Å; L189-L192 HydrophobicContact CD2-CD1 4.26Å; L189-L192 WeakPolarHBondContact O-CB 3.09Å; L189-L192 PolarHBondContact O-N 2.89Å; L189-G193 PolarHBondContact O-N 3.49Å; L189-P196 HydrophobicContact CD1-CB 4.37Å; L189-P196 HydrophobicContact CD1-CG 4.26Å; L189-A199 HydrophobicContact CD1-CB 3.88Å; L189-A199 HydrophobicContact CD2-CB 3.73Å; L189-A199 HydrophobicContact CG-CB 4.49Å; L189-M218 HydrophobicContact CD1-CE 4.35Å; L189-M218 HydrophobicContact CD1-SD 4.33Å
190S92.9Very high95.6Very high77 Ų7743.9 Ų43.954%0.53826%0.264SS..Hα-helixtrans-60-43.9-169.860.90000112.4T186 Q187 L192 G193T186-S190 PolarHBondContact O-N 3.38Å; Q187-S190 PolarHBondContact O-N 2.97Å; Q187-S190 VanDerWaalsContact O-N 3.14Å; Q187-S190 PolarHBondContact O-OG 3.07Å; S190-L192 PolarHBondContact O-N 2.93Å; S190-G193 PolarHBondContact O-N 3.44Å
191D88.4Confident95.7Very high120 Ų12041.3 Ų41.364%0.64225%0.247SC*.THydrogen-bonded Turntrans-72-14.7-178.6-50.1-26.1000112.8K43 L189K43-D191 IonicContact NZ-OD2 3.71Å; K43-D191 PolarHBondContact NZ-OD2 3.34Å; L189-D191 VanDerWaalsContact C-N 3.34Å; L189-D191 PolarHBondContact O-N 2.92Å
192L93Very high95.8Very high52 Ų5237.5 Ų37.527%0.27223%0.229SC..THydrogen-bonded Turntrans-91-7178.7-53.8-176.8000112.2A9 A41 K43 L189 S190 C194A9-L192 HydrophobicContact CB-CD1 3.81Å; A41-L192 HydrophobicContact CB-CD1 3.94Å; A41-L192 HydrophobicContact CB-CD2 3.96Å; A41-L192 HydrophobicContact CB-CG 4.39Å; K43-L192 HydrophobicContact CB-CD1 4.12Å; L189-L192 HydrophobicContact CD2-CD1 4.26Å; L189-L192 WeakPolarHBondContact O-CB 3.09Å; L189-L192 PolarHBondContact O-N 2.89Å; S190-L192 PolarHBondContact O-N 2.93Å; L192-C194 HydrophobicContact CB-CB 4.34Å; L192-C194 PolarHBondContact O-N 2.92Å; L192-C194 PolarHBondContact O-SG 3.48Å
193G89.6Confident95.9Very high68 Ų6831.9 Ų31.970%0.70121%0.205SC*.THydrogen-bonded Turntrans60.528.2-176.300000113.4L189 S190L189-G193 PolarHBondContact O-N 3.49Å; S190-G193 PolarHBondContact O-N 3.44Å
194C92.4Very high95.9Very high19 Ų1928.7 Ų28.713%0.12819%0.185CC..  trans-110.4138.3-174.9-67.40000111.1K8 A9 L192K8-C194 WeakPolarHBondContact CB-SG 3.39Å; A9-C194 HydrophobicContact CB-CB 4.3Å; L192-C194 HydrophobicContact CB-CB 4.34Å; L192-C194 PolarHBondContact O-N 2.92Å; L192-C194 PolarHBondContact O-SG 3.48Å
195S94.9Very high95.7Very high43 Ų4330 Ų3030%0.30119%0.192SC..  trans-76.9154.2168.370.60000110.6S197 E198S195-S197 PolarHBondContact O-N 3.44Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S195-S197 PolarHBondContact OG-OG 2.76Å; S195-S197 VanDerWaalsContact OG-OG 3.12Å; S195-E198 WeakPolarHBondContact CB-OE2 3.33Å; S195-E198 PolarHBondContact N-OE2 3.33Å; S195-E198 PolarHBondContact O-N 2.96Å; S195-E198 WeakPolarHBondContact OG-CG 3.42Å; S195-E198 PolarHBondContact OG-OE2 3.41Å
196P96.7Very high95.7Very high29 Ų2930.1 Ų30.119%0.18819%0.193CC..G310 helixtrans-52.1-35.5174.1-29.636.5000113.4T186 L189 E198 A199 A216 G217 M218T186-P196 HydrophobicContact CG2-CG 4Å; L189-P196 HydrophobicContact CD1-CB 4.37Å; L189-P196 HydrophobicContact CD1-CG 4.26Å; P196-E198 PolarHBondContact O-N 2.81Å; P196-E198 VanDerWaalsContact O-N 3.14Å; P196-A199 PolarHBondContact O-N 3.29Å; P196-A216 WeakPolarHBondContact CB-O 3.48Å; P196-A216 WeakPolarHBondContact CG-O 3.35Å; P196-G217 CarbonylContact C-O 3.44Å; P196-M218 HydrophobicContact CB-CG 3.86Å; P196-M218 VanDerWaalsContact O-CA 3.27Å; P196-M218 WeakPolarHBondContact O-CA 3.33Å; P196-M218 WeakPolarHBondContact O-CG 3.45Å
197S96.6Very high95.6Very high51 Ų5134.3 Ų34.336%0.35720%0.203SC..G310 helixtrans-70-7.2179.973.30000115.4R5 S195 G217R5-S197 PolarHBondContact NH1-OG 3.01Å; S195-S197 PolarHBondContact O-N 3.44Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S195-S197 PolarHBondContact OG-OG 2.76Å; S195-S197 VanDerWaalsContact OG-OG 3.12Å; S197-G217 VanDerWaalsContact CA-O 3.29Å; S197-G217 WeakPolarHBondContact CA-O 3.47Å; S197-G217 PolarHBondContact N-O 3.49Å
198E96.8Very high95.5Very high40 Ų4034.5 Ų34.519%0.18721%0.205CC..G310 helixtrans-108.413.2175.7-62.2164.3122.400111.2K8 A9 S195 P196K8-E198 HydrophobicContact CB-CB 4.27Å; K8-E198 HydrophobicContact CD-CB 4.29Å; K8-E198 HydrophobicContact CD-CG 4.47Å; K8-E198 WeakPolarHBondContact CE-OE1 3.4Å; K8-E198 HydrophobicContact CG-CB 4.3Å; K8-E198 PolarHBondContact N-O 3.13Å; K8-E198 IonicContact NZ-OE1 3.8Å; K8-E198 PolarHBondContact NZ-OE1 3.4Å; K8-E198 IonicContact NZ-OE2 2.75Å; A9-E198 PolarHBondContact N-O 2.98Å; S195-E198 WeakPolarHBondContact CB-OE2 3.33Å; S195-E198 PolarHBondContact N-OE2 3.33Å; S195-E198 PolarHBondContact O-N 2.96Å; S195-E198 WeakPolarHBondContact OG-CG 3.42Å; S195-E198 PolarHBondContact OG-OE2 3.41Å; P196-E198 PolarHBondContact O-N 2.81Å; P196-E198 VanDerWaalsContact O-N 3.14Å
199A98.1Very high95.5Very high2 Ų234.5 Ų34.52%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-128.3153.7-176.200000112.7A9 L189 P196 M218 L219A9-A199 HydrophobicContact CB-CB 4.12Å; A9-A199 VanDerWaalsContact O-CA 3.25Å; A9-A199 WeakPolarHBondContact O-CA 3.3Å; L189-A199 HydrophobicContact CD1-CB 3.88Å; L189-A199 HydrophobicContact CD2-CB 3.73Å; L189-A199 HydrophobicContact CG-CB 4.49Å; P196-A199 PolarHBondContact O-N 3.29Å; A199-M218 HydrophobicContact CB-CE 3.47Å; A199-M218 VanDerWaalsContact CB-CE 3.47Å; A199-M218 HydrophobicContact CB-CG 4.36Å; A199-M218 WeakPolarHBondContact O-CB 3.37Å; A199-L219 PolarHBondContact O-N 3.35Å; A199-L219 VanDerWaalsContact O-N 3.1Å
200V98.5Very high95.6Very high0 Ų034.4 Ų34.40%021%0.205CC..EExtended strand (participates in β ladder)trans-123.1137.5171.966.60000109.7L7 A9 V10 L11 L219 I221 I254L7-V200 HydrophobicContact CD1-CB 3.97Å; L7-V200 HydrophobicContact CD1-CG1 3.92Å; L7-V200 HydrophobicContact CD2-CG1 3.92Å; A9-V200 PolarHBondContact O-N 3.03Å; A9-V200 VanDerWaalsContact O-N 3.09Å; V10-V200 CarbonylContact C-O 3.56Å; V10-V200 WeakPolarHBondContact CA-O 3.26Å; V10-V200 HydrophobicContact CB-CG1 4.25Å; V10-V200 HydrophobicContact CG1-CG1 3.98Å; V10-V200 HydrophobicContact CG2-CG1 3.88Å; L11-V200 PolarHBondContact N-O 2.98Å; V200-L219 CarbonylContact C-O 3.57Å; V200-L219 VanDerWaalsContact CA-O 3.3Å; V200-L219 WeakPolarHBondContact CA-O 3.18Å; V200-L219 HydrophobicContact CB-CB 4.16Å; V200-L219 HydrophobicContact CG2-CB 3.83Å; V200-I221 HydrophobicContact CG2-CD1 3.68Å; V200-I221 HydrophobicContact CG2-CG1 3.75Å; V200-I254 HydrophobicContact CG1-CD1 3.78Å; V200-I254 HydrophobicContact CG1-CG1 4.25Å
201M98.7Very high95.9Very high0 Ų031.1 Ų31.10%018%0.183CC..EExtended strand (participates in β ladder)trans-99.9133.6171.8176.760.8-172.900109.6L11 D13 V45 F185 D209 A213 M218 L219 G220 I221L11-M201 HydrophobicContact CB-SD 3.59Å; L11-M201 VanDerWaalsContact CB-SD 3.59Å; L11-M201 CarbonylContact O-C 3.58Å; L11-M201 WeakPolarHBondContact O-CA 3.49Å; D13-M201 HydrophobicContact CB-CE 3.69Å; V45-M201 HydrophobicContact CG2-CE 3.62Å; V45-M201 HydrophobicContact CG2-SD 3.81Å; F185-M201 HydrophobicContact CE1-CG 4.29Å; F185-M201 HydrophobicContact CE1-SD 4.3Å; M201-D209 HydrophobicContact CE-CB 3.64Å; M201-D209 HydrophobicContact CG-CB 4.32Å; M201-A213 HydrophobicContact CB-CB 3.36Å; M201-A213 HydrophobicContact CG-CB 3.77Å; M201-M218 HydrophobicContact CB-CE 4.09Å; M201-L219 PolarHBondContact N-O 3.26Å; M201-G220 CarbonylContact O-C 3.37Å; M201-G220 WeakPolarHBondContact O-CA 3.48Å; M201-I221 PolarHBondContact O-N 2.92Å
202I98.9Very high96.3Very high0 Ų025.4 Ų25.40%015%0.153CC..EExtended strand (participates in β ladder)trans-113.8123.3169.8-49.4171000107.9V10 L11 D13 T17 I221 V223 F247 A250 I254V10-I202 HydrophobicContact CG1-CD1 3.74Å; V10-I202 HydrophobicContact CG1-CG1 4.15Å; L11-I202 PolarHBondContact O-N 3.11Å; D13-I202 PolarHBondContact N-O 3.19Å; T17-I202 HydrophobicContact CG2-CG2 3.96Å; I202-I221 WeakPolarHBondContact CA-O 3.39Å; I202-I221 HydrophobicContact CG1-CB 4.41Å; I202-I221 HydrophobicContact CG1-CD1 4.44Å; I202-V223 HydrophobicContact CG2-CG1 3.64Å; I202-F247 HydrophobicContact CD1-CD2 4.03Å; I202-F247 HydrophobicContact CD1-CE2 3.84Å; I202-F247 HydrophobicContact CG2-CD2 4.14Å; I202-A250 HydrophobicContact CD1-CB 3.98Å; I202-A250 HydrophobicContact CG1-CB 4.32Å; I202-A250 HydrophobicContact CG2-CB 3.88Å; I202-I254 HydrophobicContact CD1-CD1 3.67Å; I202-I254 HydrophobicContact CG1-CD1 4.26Å
203G98.4Very high96.5Very high0 Ų023 Ų230%014%0.14CC..EExtended strand (participates in β ladder)trans-158.7167.5-179.200000113.9T17 D209 I221 L222 V223T17-G203 WeakPolarHBondContact OG1-CA 3.42Å; G203-D209 WeakPolarHBondContact CA-OD2 3.32Å; G203-I221 PolarHBondContact N-O 3.37Å; G203-I221 VanDerWaalsContact N-O 3.12Å; G203-L222 WeakPolarHBondContact O-CA 3.45Å; G203-V223 WeakPolarHBondContact O-CG2 3.32Å; G203-V223 PolarHBondContact O-N 3.42Å
204D96.6Very high97Very high4 Ų421.2 Ų21.22%0.02111%0.113CC..SBendtrans-99.2-11.7-178.882-33.1000112.8G16 T17 D209 V223 G226 K227G16-D204 WeakPolarHBondContact CA-OD2 3.37Å; T17-D204 PolarHBondContact OG1-N 3.42Å; D204-D209 PolarHBondContact N-OD2 2.95Å; D204-D209 VanDerWaalsContact N-OD2 3.14Å; D204-V223 HydrophobicContact CB-CG2 4.03Å; D204-G226 WeakPolarHBondContact OD2-CA 3.35Å; D204-K227 WeakPolarHBondContact OD2-CG 3.35Å; D204-K227 PolarHBondContact OD2-N 3.19Å
205D95.4Very high97.2Very high28 Ų2825.9 Ų25.915%0.1514%0.137CC..  trans-95.7114.9174.2-157.8-49.6000112R207 D208 D209 V210 K227D205-R207 VanDerWaalsContact C-N 3.25Å; D205-R207 PolarHBondContact O-N 2.66Å; D205-R207 WeakPolarHBondContact OD1-CA 3.4Å; D205-R207 PolarHBondContact OD1-N 3.25Å; D205-D208 HydrophobicContact CB-CB 3.91Å; D205-D208 PolarHBondContact OD1-N 2.74Å; D205-D209 HydrophobicContact CB-CB 4.35Å; D205-D209 WeakPolarHBondContact CB-OD2 3.47Å; D205-D209 PolarHBondContact N-OD2 3.48Å; D205-D209 VanDerWaalsContact O-CB 3.29Å; D205-D209 WeakPolarHBondContact O-CB 3.23Å; D205-D209 PolarHBondContact O-N 3.36Å; D205-D209 VanDerWaalsContact O-N 3.11Å; D205-V210 PolarHBondContact O-N 3.13Å; D205-V210 VanDerWaalsContact O-N 3.14Å; D205-K227 WeakPolarHBondContact OD2-CE 3.32Å; D205-K227 IonicContact OD2-NZ 3.9Å; D205-K227 PolarHBondContact OD2-NZ 3.41Å
206A96.3Very high97.3Very high2 Ų224.1 Ų24.12%0.01713%0.125CC..Iπ-helixtrans-57.1-38.4174.400000112.7G211 L222 D232 I236A206-G211 PolarHBondContact O-N 2.99Å; A206-L222 HydrophobicContact CB-CD1 4.31Å; A206-L222 HydrophobicContact CB-CD2 4.04Å; A206-D232 HydrophobicContact CB-CB 4.19Å; A206-D232 WeakPolarHBondContact CB-O 3.28Å; A206-I236 HydrophobicContact CB-CG2 4.5Å; A206-I236 WeakPolarHBondContact O-CD1 3.49Å; A206-I236 VanDerWaalsContact O-CG2 3.28Å; A206-I236 WeakPolarHBondContact O-CG2 3.43Å
207R95.4Very high97.4Very high140 Ų14024.7 Ų24.753%0.52814%0.136SC..Iπ-helixtrans-88.3-54.7-176.2-64.8179.1179.1-136.5-5.1111.8D205 G212 I236D205-R207 VanDerWaalsContact C-N 3.25Å; D205-R207 PolarHBondContact O-N 2.66Å; D205-R207 WeakPolarHBondContact OD1-CA 3.4Å; D205-R207 PolarHBondContact OD1-N 3.25Å; R207-G212 PolarHBondContact O-N 3.4Å; R207-I236 HydrophobicContact CG-CG2 3.98Å
208D94.8Very high97.4Very high47 Ų4722.7 Ų22.725%0.25112%0.121SC..Iπ-helixtrans-71.9-44.1-171.4-72.90.8000110.9K179 F185 D205K179-D208 HydrophobicContact CB-CB 4.12Å; K179-D208 WeakPolarHBondContact CB-O 3.31Å; F185-D208 WeakPolarHBondContact CZ-O 2.89Å; D205-D208 HydrophobicContact CB-CB 3.91Å; D205-D208 PolarHBondContact OD1-N 2.74Å
209D97.4Very high97.5Very high1 Ų123.9 Ų23.91%0.00513%0.129CC..Iπ-helixtrans-86.4-64.2-177.7-57.9-38.5000111.2K179 M201 G203 D204 D205 A213K179-D209 VanDerWaalsContact CD-OD1 3.26Å; K179-D209 WeakPolarHBondContact CD-OD1 3.49Å; K179-D209 VanDerWaalsContact CE-OD1 3.3Å; K179-D209 WeakPolarHBondContact CE-OD1 3.39Å; K179-D209 IonicContact NZ-OD1 3.31Å; K179-D209 PolarHBondContact NZ-OD1 3.48Å; M201-D209 HydrophobicContact CE-CB 3.64Å; M201-D209 HydrophobicContact CG-CB 4.32Å; G203-D209 WeakPolarHBondContact CA-OD2 3.32Å; D204-D209 PolarHBondContact N-OD2 2.95Å; D204-D209 VanDerWaalsContact N-OD2 3.14Å; D205-D209 HydrophobicContact CB-CB 4.35Å; D205-D209 WeakPolarHBondContact CB-OD2 3.47Å; D205-D209 PolarHBondContact N-OD2 3.48Å; D205-D209 VanDerWaalsContact O-CB 3.29Å; D205-D209 WeakPolarHBondContact O-CB 3.23Å; D205-D209 PolarHBondContact O-N 3.36Å; D205-D209 VanDerWaalsContact O-N 3.11Å; D209-A213 WeakPolarHBondContact O-CB 3.46Å; D209-A213 PolarHBondContact O-N 2.93Å
210V98.3Very high97.5Very high0 Ų023.8 Ų23.80%013%0.128CC..Iπ-helixtrans-76.6-50.6-167.6174.30000111.2D205 A213 Q214 L222 I236 P240D205-V210 PolarHBondContact O-N 3.13Å; D205-V210 VanDerWaalsContact O-N 3.14Å; V210-A213 PolarHBondContact O-N 2.96Å; V210-Q214 WeakPolarHBondContact O-CB 3.34Å; V210-Q214 WeakPolarHBondContact O-CG 3.18Å; V210-Q214 PolarHBondContact O-N 3.18Å; V210-L222 HydrophobicContact CG2-CB 3.99Å; V210-L222 HydrophobicContact CG2-CD1 4.11Å; V210-I236 HydrophobicContact CB-CD1 4.24Å; V210-I236 HydrophobicContact CG1-CD1 3.64Å; V210-P240 HydrophobicContact CG1-CB 3.78Å; V210-P240 HydrophobicContact CG1-CG 3.97Å
211G97.9Very high97.5Very high7 Ų723.8 Ų23.87%0.07213%0.128CC..Iπ-helixtrans-61.2-46.6177.600000111.9A206 Q214 N215A206-G211 PolarHBondContact O-N 2.99Å; G211-Q214 PolarHBondContact O-N 2.96Å; G211-N215 WeakPolarHBondContact O-CB 3.27Å; G211-N215 PolarHBondContact O-N 3.2Å; G211-N215 PolarHBondContact O-ND2 3.17Å
212G97.5Very high97.6Very high1 Ų123.8 Ų23.81%0.0113%0.128CC..Hα-helixtrans-56.6-50.3174.600000112.8P180 R207 N215 A216P180-G212 WeakPolarHBondContact O-CA 3.34Å; R207-G212 PolarHBondContact O-N 3.4Å; G212-N215 PolarHBondContact O-N 3.44Å; G212-A216 PolarHBondContact O-N 3.1Å
213A98.3Very high97.5Very high0 Ų023.8 Ų23.80%013%0.128CC..Hα-helixtrans-64.8-43179.400000112.9F185 M201 D209 V210 N215 A216 G217 M218F185-A213 HydrophobicContact CD1-CB 3.94Å; F185-A213 HydrophobicContact CE1-CB 3.73Å; F185-A213 HydrophobicContact CG-CB 4.49Å; F185-A213 HydrophobicContact CZ-CB 4.13Å; M201-A213 HydrophobicContact CB-CB 3.36Å; M201-A213 HydrophobicContact CG-CB 3.77Å; D209-A213 WeakPolarHBondContact O-CB 3.46Å; D209-A213 PolarHBondContact O-N 2.93Å; V210-A213 PolarHBondContact O-N 2.96Å; A213-N215 VanDerWaalsContact C-N 3.35Å; A213-N215 PolarHBondContact O-N 2.94Å; A213-A216 CarbonylContact O-C 3.55Å; A213-A216 WeakPolarHBondContact O-CA 3.38Å; A213-A216 WeakPolarHBondContact O-CB 3.41Å; A213-A216 PolarHBondContact O-N 2.76Å; A213-G217 PolarHBondContact O-N 2.78Å; A213-G217 VanDerWaalsContact O-N 3.13Å; A213-M218 HydrophobicContact CB-CB 4.09Å; A213-M218 HydrophobicContact CB-CG 4.39Å; A213-M218 HydrophobicContact CB-SD 3.76Å; A213-M218 WeakPolarHBondContact O-CB 3.31Å; A213-M218 PolarHBondContact O-N 3.1Å
214Q98.4Very high97.5Very high31 Ų3128 Ų2815%0.14515%0.146CC..Hα-helixtrans-64.2-39.8177.6-76.9-179.6-16100111.8V210 G211 A216 G217 M218 P238 P239 P240 Y241V210-Q214 WeakPolarHBondContact O-CB 3.34Å; V210-Q214 WeakPolarHBondContact O-CG 3.18Å; V210-Q214 PolarHBondContact O-N 3.18Å; G211-Q214 PolarHBondContact O-N 2.96Å; Q214-A216 PolarHBondContact O-N 3.32Å; Q214-G217 WeakPolarHBondContact O-CA 3.39Å; Q214-G217 PolarHBondContact O-N 3.3Å; Q214-M218 WeakPolarHBondContact CA-O 3.42Å; Q214-P238 PolarHBondContact NE2-O 2.66Å; Q214-P239 PolarHBondContact NE2-O 2.68Å; Q214-P239 PolarHBondContact OE1-O 2.93Å; Q214-P240 VanDerWaalsContact OE1-CA 3.32Å; Q214-Y241 VanDerWaalsContact OE1-N 3.11Å
215N97.6Very high97.4Very high118 Ų11829.2 Ų29.263%0.63115%0.154SC*.Hα-helixtrans-65.9-26.4173-70.6-22.8000112.7G211 G212 A213 G217G211-N215 WeakPolarHBondContact O-CB 3.27Å; G211-N215 PolarHBondContact O-N 3.2Å; G211-N215 PolarHBondContact O-ND2 3.17Å; G212-N215 PolarHBondContact O-N 3.44Å; A213-N215 VanDerWaalsContact C-N 3.35Å; A213-N215 PolarHBondContact O-N 2.94Å; N215-G217 VanDerWaalsContact C-N 3.27Å
216A97.4Very high97.2Very high6 Ų629.3 Ų29.35%0.0516%0.162CC..Hα-helixtrans-75.5-15.7170.500000113.2K182 F185 P196 G212 A213 Q214K182-A216 HydrophobicContact CB-CB 4.48Å; K182-A216 HydrophobicContact CG-CB 3.9Å; F185-A216 HydrophobicContact CB-CB 3.91Å; F185-A216 HydrophobicContact CD2-CB 4.29Å; F185-A216 HydrophobicContact CG-CB 4.34Å; P196-A216 WeakPolarHBondContact CB-O 3.48Å; P196-A216 WeakPolarHBondContact CG-O 3.35Å; G212-A216 PolarHBondContact O-N 3.1Å; A213-A216 CarbonylContact O-C 3.55Å; A213-A216 WeakPolarHBondContact O-CA 3.38Å; A213-A216 WeakPolarHBondContact O-CB 3.41Å; A213-A216 PolarHBondContact O-N 2.76Å; Q214-A216 PolarHBondContact O-N 3.32Å
217G97.3Very high96.8Very high41 Ų4134 Ų3442%0.42318%0.181SC..THydrogen-bonded Turntrans105.411.717900000114.8P196 S197 A213 Q214 N215P196-G217 CarbonylContact C-O 3.44Å; S197-G217 VanDerWaalsContact CA-O 3.29Å; S197-G217 WeakPolarHBondContact CA-O 3.47Å; S197-G217 PolarHBondContact N-O 3.49Å; A213-G217 PolarHBondContact O-N 2.78Å; A213-G217 VanDerWaalsContact O-N 3.13Å; Q214-G217 WeakPolarHBondContact O-CA 3.39Å; Q214-G217 PolarHBondContact O-N 3.3Å; N215-G217 VanDerWaalsContact C-N 3.27Å
218M98.3Very high96.6Very high9 Ų927.9 Ų27.94%0.04416%0.159CC..  trans-86.8165.3177.5-53.717471.500111.9L11 F185 L189 P196 A199 M201 A213 Q214L11-M218 HydrophobicContact CB-CE 4.05Å; L11-M218 HydrophobicContact CD1-CE 3.46Å; L11-M218 VanDerWaalsContact CD1-CE 3.46Å; L11-M218 HydrophobicContact CD1-SD 3.98Å; L11-M218 HydrophobicContact CG-CE 3.56Å; F185-M218 HydrophobicContact CB-SD 4.02Å; F185-M218 HydrophobicContact CD1-SD 4Å; F185-M218 HydrophobicContact CG-SD 4.28Å; L189-M218 HydrophobicContact CD1-CE 4.35Å; L189-M218 HydrophobicContact CD1-SD 4.33Å; P196-M218 HydrophobicContact CB-CG 3.86Å; P196-M218 VanDerWaalsContact O-CA 3.27Å; P196-M218 WeakPolarHBondContact O-CA 3.33Å; P196-M218 WeakPolarHBondContact O-CG 3.45Å; A199-M218 HydrophobicContact CB-CE 3.47Å; A199-M218 VanDerWaalsContact CB-CE 3.47Å; A199-M218 HydrophobicContact CB-CG 4.36Å; A199-M218 WeakPolarHBondContact O-CB 3.37Å; M201-M218 HydrophobicContact CB-CE 4.09Å; A213-M218 HydrophobicContact CB-CB 4.09Å; A213-M218 HydrophobicContact CB-CG 4.39Å; A213-M218 HydrophobicContact CB-SD 3.76Å; A213-M218 WeakPolarHBondContact O-CB 3.31Å; A213-M218 PolarHBondContact O-N 3.1Å; Q214-M218 WeakPolarHBondContact CA-O 3.42Å
219L98.4Very high96.6Very high64 Ų6433.2 Ų33.234%0.33518%0.175SC..EExtended strand (participates in β ladder)trans-76.5147.5156.2-64.7179.4000109.5A199 V200 M201 Y241 L258A199-L219 PolarHBondContact O-N 3.35Å; A199-L219 VanDerWaalsContact O-N 3.1Å; V200-L219 CarbonylContact C-O 3.57Å; V200-L219 VanDerWaalsContact CA-O 3.3Å; V200-L219 WeakPolarHBondContact CA-O 3.18Å; V200-L219 HydrophobicContact CB-CB 4.16Å; V200-L219 HydrophobicContact CG2-CB 3.83Å; M201-L219 PolarHBondContact N-O 3.26Å; L219-Y241 HydrophobicContact CB-CD1 4.3Å; L219-Y241 HydrophobicContact CB-CG 4.32Å; L219-Y241 HydrophobicContact CD1-CD1 4.25Å; L219-Y241 HydrophobicContact CD1-CD2 4.49Å; L219-Y241 HydrophobicContact CD1-CE1 4.2Å; L219-Y241 HydrophobicContact CD1-CE2 4.46Å; L219-Y241 HydrophobicContact CD1-CG 4.39Å; L219-Y241 HydrophobicContact CD2-CD2 3.91Å; L219-Y241 HydrophobicContact CD2-CG 3.95Å; L219-Y241 HydrophobicContact CG-CG 4.46Å; L219-L258 HydrophobicContact CD1-CD1 4.11Å; L219-L258 HydrophobicContact CD1-CD2 4.12Å
220G98.5Very high96.5Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-127.8125.5176.800000112.3M201 Y241 L242M201-G220 CarbonylContact O-C 3.37Å; M201-G220 WeakPolarHBondContact O-CA 3.48Å; G220-Y241 WeakPolarHBondContact O-CB 3.42Å; G220-Y241 PolarHBondContact O-N 2.69Å; G220-L242 PolarHBondContact O-N 3.42Å
221I98.8Very high96.3Very high0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-108.2116.7176.4-58.2173.1000108.2V200 M201 I202 G203 Y241 L242 A250 I254V200-I221 HydrophobicContact CG2-CD1 3.68Å; V200-I221 HydrophobicContact CG2-CG1 3.75Å; M201-I221 PolarHBondContact O-N 2.92Å; I202-I221 WeakPolarHBondContact CA-O 3.39Å; I202-I221 HydrophobicContact CG1-CB 4.41Å; I202-I221 HydrophobicContact CG1-CD1 4.44Å; G203-I221 PolarHBondContact N-O 3.37Å; G203-I221 VanDerWaalsContact N-O 3.12Å; I221-Y241 HydrophobicContact CG1-CD1 4.19Å; I221-L242 WeakPolarHBondContact CA-O 3.43Å; I221-L242 HydrophobicContact CG1-CB 4.15Å; I221-L242 HydrophobicContact CG2-CB 4.15Å; I221-L242 HydrophobicContact CG2-CD2 4.07Å; I221-L242 HydrophobicContact CG2-CG 4.28Å; I221-A250 HydrophobicContact CD1-CB 4.36Å; I221-A250 HydrophobicContact CG2-CB 3.71Å; I221-I254 HydrophobicContact CD1-CD1 3.97Å; I221-I254 HydrophobicContact CD1-CG1 3.86Å
222L98.8Very high96.1Very high0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-87.6123.6175.3-173.760.1000109.8G203 A206 V210 Y228 E233 P240 L242 T243 C244G203-L222 WeakPolarHBondContact O-CA 3.45Å; A206-L222 HydrophobicContact CB-CD1 4.31Å; A206-L222 HydrophobicContact CB-CD2 4.04Å; V210-L222 HydrophobicContact CG2-CB 3.99Å; V210-L222 HydrophobicContact CG2-CD1 4.11Å; L222-Y228 HydrophobicContact CD1-CD2 4.45Å; L222-Y228 HydrophobicContact CD2-CD2 3.88Å; L222-Y228 HydrophobicContact CD2-CE2 3.87Å; L222-Y228 HydrophobicContact CG-CD2 4.06Å; L222-Y228 HydrophobicContact CG-CE2 4.39Å; L222-E233 HydrophobicContact CD2-CB 3.94Å; L222-P240 HydrophobicContact CB-CB 3.96Å; L222-P240 HydrophobicContact CB-CG 3.9Å; L222-P240 HydrophobicContact CD2-CG 3.93Å; L222-L242 PolarHBondContact N-O 2.97Å; L222-T243 HydrophobicContact CB-CG2 4.26Å; L222-T243 HydrophobicContact CD2-CG2 4.33Å; L222-T243 HydrophobicContact CG-CG2 4.38Å; L222-T243 CarbonylContact O-C 3.34Å; L222-T243 VanDerWaalsContact O-CA 3.27Å; L222-T243 WeakPolarHBondContact O-CA 3.36Å; L222-C244 PolarHBondContact O-N 2.84Å
223V98.6Very high96Very high0 Ų042.8 Ų42.80%023%0.225CC..EExtended strand (participates in β ladder)trans-95.5146.6172.1-610000110.9T17 I202 G203 D204 T225 C244 A250T17-V223 HydrophobicContact CG2-CG2 4.19Å; I202-V223 HydrophobicContact CG2-CG1 3.64Å; G203-V223 WeakPolarHBondContact O-CG2 3.32Å; G203-V223 PolarHBondContact O-N 3.42Å; D204-V223 HydrophobicContact CB-CG2 4.03Å; V223-T225 VanDerWaalsContact C-N 3.27Å; V223-T225 VanDerWaalsContact CG2-OG1 3.31Å; V223-T225 WeakPolarHBondContact CG2-OG1 3Å; V223-T225 PolarHBondContact O-N 2.8Å; V223-C244 CarbonylContact C-O 3.6Å; V223-C244 WeakPolarHBondContact CA-O 3.37Å; V223-A250 HydrophobicContact CG1-CB 4.38Å
224K97.6Very high95.9Very high89 Ų8951.4 Ų51.439%0.38726%0.258SS..SBendtrans-87.611.6179.8-61.2-175.8179-174.40114.3Y228 T243 C244 N245K224-Y228 HydrophobicContact CB-CD1 3.78Å; K224-Y228 HydrophobicContact CB-CE1 3.95Å; K224-Y228 HydrophobicContact CB-CG 4.21Å; K224-Y228 HydrophobicContact CD-CE1 4.01Å; K224-Y228 HydrophobicContact CG-CD1 3.94Å; K224-Y228 HydrophobicContact CG-CD2 4.35Å; K224-Y228 HydrophobicContact CG-CE1 3.67Å; K224-Y228 HydrophobicContact CG-CE2 4.08Å; K224-Y228 HydrophobicContact CG-CG 4.29Å; K224-T243 HydrophobicContact CG-CG2 4.11Å; K224-C244 WeakPolarHBondContact CG-O 3.37Å; K224-C244 PolarHBondContact N-O 3.05Å; K224-N245 PolarHBondContact N-O 3.09Å
225T94.8Very high95.8Very high29 Ų2955 Ų5518%0.17827%0.273CS..SBendtrans-84.5177.3171.148.70000111.1G16 V25 V223 K227 Y228G16-T225 CarbonylContact O-C 3.48Å; G16-T225 WeakPolarHBondContact O-CB 3.34Å; G16-T225 PolarHBondContact O-OG1 3.36Å; V25-T225 HydrophobicContact CG1-CG2 4.08Å; V25-T225 HydrophobicContact CG2-CG2 4.27Å; V223-T225 VanDerWaalsContact C-N 3.27Å; V223-T225 VanDerWaalsContact CG2-OG1 3.31Å; V223-T225 WeakPolarHBondContact CG2-OG1 3Å; V223-T225 PolarHBondContact O-N 2.8Å; T225-K227 PolarHBondContact O-N 2.76Å; T225-Y228 WeakPolarHBondContact O-CB 3.47Å; T225-Y228 PolarHBondContact O-N 2.9Å
226G90.9Very high95.7Very high31 Ų3150.7 Ų50.732%0.3225%0.25SC..THydrogen-bonded Turntrans66.2-129.4173.200000114.3G16 D204G16-G226 VanDerWaalsContact CA-CA 3.48Å; G16-G226 PolarHBondContact O-N 2.73Å; D204-G226 WeakPolarHBondContact OD2-CA 3.35Å
227K87.3Confident95.6Very high99 Ų9957.4 Ų57.443%0.4329%0.285SS..THydrogen-bonded Turntrans-89.4-3.7-174.779.2-159.7175-1760114D204 D205 T225 R229D204-K227 WeakPolarHBondContact OD2-CG 3.35Å; D204-K227 PolarHBondContact OD2-N 3.19Å; D205-K227 WeakPolarHBondContact OD2-CE 3.32Å; D205-K227 IonicContact OD2-NZ 3.9Å; D205-K227 PolarHBondContact OD2-NZ 3.41Å; T225-K227 PolarHBondContact O-N 2.76Å; K227-R229 PolarHBondContact O-N 3.33Å
228Y92.3Very high95.6Very high13 Ų1358.9 Ų58.95%0.05129%0.287CS..  trans-48.3139.6174.4170.9-85.5000111.2L222 K224 T225 D232 E233 T243L222-Y228 HydrophobicContact CD1-CD2 4.45Å; L222-Y228 HydrophobicContact CD2-CD2 3.88Å; L222-Y228 HydrophobicContact CD2-CE2 3.87Å; L222-Y228 HydrophobicContact CG-CD2 4.06Å; L222-Y228 HydrophobicContact CG-CE2 4.39Å; K224-Y228 HydrophobicContact CB-CD1 3.78Å; K224-Y228 HydrophobicContact CB-CE1 3.95Å; K224-Y228 HydrophobicContact CB-CG 4.21Å; K224-Y228 HydrophobicContact CD-CE1 4.01Å; K224-Y228 HydrophobicContact CG-CD1 3.94Å; K224-Y228 HydrophobicContact CG-CD2 4.35Å; K224-Y228 HydrophobicContact CG-CE1 3.67Å; K224-Y228 HydrophobicContact CG-CE2 4.08Å; K224-Y228 HydrophobicContact CG-CG 4.29Å; T225-Y228 WeakPolarHBondContact O-CB 3.47Å; T225-Y228 PolarHBondContact O-N 2.9Å; Y228-D232 HydrophobicContact CD2-CB 3.89Å; Y228-D232 HydrophobicContact CE2-CB 3.96Å; Y228-E233 PolarHBondContact OH-OE2 2.95Å; Y228-E233 VanDerWaalsContact OH-OE2 3.04Å; Y228-T243 HydrophobicContact CE2-CG2 4.41Å
229R94.1Very high95.6Very high158 Ų15862.3 Ų62.360%0.59631%0.31SS*.  trans-127.9151.3169.4-59.8-64.7176.1-108.24.3109.8K227 G231 D232K227-R229 PolarHBondContact O-N 3.33Å; R229-G231 PolarHBondContact O-N 3.19Å; R229-G231 VanDerWaalsContact O-N 3.17Å; R229-D232 PolarHBondContact N-OD2 3.4Å; R229-D232 WeakPolarHBondContact O-CB 3.38Å; R229-D232 PolarHBondContact O-N 3.09Å
230D95.3Very high95.6Very high143 Ų14359.9 Ų59.977%0.76530%0.298SS*.THydrogen-bonded Turntrans-55.5123.5179.6-76.5-22.1000111.7
231G94.4Very high95.6Very high10 Ų1064.6 Ų64.610%0.10332%0.317CS..THydrogen-bonded Turntrans93.7-0.1-175.900000115.4R229 E233 R234R229-G231 PolarHBondContact O-N 3.19Å; R229-G231 VanDerWaalsContact O-N 3.17Å; G231-E233 WeakPolarHBondContact CA-OE2 3.48Å; G231-E233 PolarHBondContact N-OE2 3.03Å; G231-E233 VanDerWaalsContact N-OE2 3.07Å; G231-E233 PolarHBondContact O-N 3.34Å; G231-R234 VanDerWaalsContact CA-CZ 3.43Å; G231-R234 WeakPolarHBondContact O-CB 3.41Å; G231-R234 PolarHBondContact O-N 3.25Å
232D93.4Very high95.6Very high15 Ų1566.7 Ų66.78%0.0833%0.327CS..G310 helixtrans-59.4-32.3172.9-78.12.6000112.3A206 Y228 R229 R234 K235A206-D232 HydrophobicContact CB-CB 4.19Å; A206-D232 WeakPolarHBondContact CB-O 3.28Å; Y228-D232 HydrophobicContact CD2-CB 3.89Å; Y228-D232 HydrophobicContact CE2-CB 3.96Å; R229-D232 PolarHBondContact N-OD2 3.4Å; R229-D232 WeakPolarHBondContact O-CB 3.38Å; R229-D232 PolarHBondContact O-N 3.09Å; D232-R234 PolarHBondContact O-N 2.71Å; D232-R234 VanDerWaalsContact O-N 3.1Å; D232-K235 HydrophobicContact CB-CD 4.35Å; D232-K235 VanDerWaalsContact O-CB 3.26Å; D232-K235 WeakPolarHBondContact O-CB 3.36Å; D232-K235 PolarHBondContact O-N 3.24Å; D232-K235 WeakPolarHBondContact OD1-CE 3.41Å; D232-K235 IonicContact OD1-NZ 2.78Å; D232-K235 PolarHBondContact OD1-NZ 2.71Å; D232-K235 IonicContact OD2-NZ 3.98Å
233E95.6Very high95.6Very high42 Ų4268.7 Ų68.720%0.19634%0.34CS..G310 helixtrans-60-20.1174.872.1-76.9-177.700113.4L222 Y228 G231 P240 T243L222-E233 HydrophobicContact CD2-CB 3.94Å; Y228-E233 PolarHBondContact OH-OE2 2.95Å; Y228-E233 VanDerWaalsContact OH-OE2 3.04Å; G231-E233 WeakPolarHBondContact CA-OE2 3.48Å; G231-E233 PolarHBondContact N-OE2 3.03Å; G231-E233 VanDerWaalsContact N-OE2 3.07Å; G231-E233 PolarHBondContact O-N 3.34Å; E233-P240 HydrophobicContact CB-CG 4.06Å; E233-P240 VanDerWaalsContact O-CD 3.28Å; E233-P240 WeakPolarHBondContact O-CD 3.35Å; E233-T243 HydrophobicContact CB-CG2 4.5Å
234R97Very high95.6Very high181 Ų18169.5 Ų69.568%0.68335%0.345SS*.G310 helixtrans-93.5-0.7176.3-62.3-174.9-71.4-76.30.8113.5G231 D232 I236G231-R234 VanDerWaalsContact CA-CZ 3.43Å; G231-R234 WeakPolarHBondContact O-CB 3.41Å; G231-R234 PolarHBondContact O-N 3.25Å; D232-R234 PolarHBondContact O-N 2.71Å; D232-R234 VanDerWaalsContact O-N 3.1Å; R234-I236 VanDerWaalsContact C-N 3.28Å; R234-I236 PolarHBondContact O-N 3.29Å
235K94.5Very high95.6Very high107 Ų10770.3 Ų70.347%0.46535%0.354SS..SBendtrans-80.8-7-178.9-68.8179175.61710113.7D232D232-K235 HydrophobicContact CB-CD 4.35Å; D232-K235 VanDerWaalsContact O-CB 3.26Å; D232-K235 WeakPolarHBondContact O-CB 3.36Å; D232-K235 PolarHBondContact O-N 3.24Å; D232-K235 WeakPolarHBondContact OD1-CE 3.41Å; D232-K235 IonicContact OD1-NZ 2.78Å; D232-K235 PolarHBondContact OD1-NZ 2.71Å; D232-K235 IonicContact OD2-NZ 3.98Å
236I97.2Very high95.8Very high27 Ų2770 Ų7014%0.13835%0.352CS..SBendtrans-128.5154.1-179.762.3166.4000110.6A206 R207 V210 R234 P240A206-I236 HydrophobicContact CB-CG2 4.5Å; A206-I236 WeakPolarHBondContact O-CD1 3.49Å; A206-I236 VanDerWaalsContact O-CG2 3.28Å; A206-I236 WeakPolarHBondContact O-CG2 3.43Å; R207-I236 HydrophobicContact CG-CG2 3.98Å; V210-I236 HydrophobicContact CB-CD1 4.24Å; V210-I236 HydrophobicContact CG1-CD1 3.64Å; R234-I236 VanDerWaalsContact C-N 3.28Å; R234-I236 PolarHBondContact O-N 3.29Å; I236-P240 HydrophobicContact CD1-CG 4.07Å
237D95.4Very high96.2Very high148 Ų14868.5 Ų68.579%0.79134%0.337SS*.SBendtrans-138.1123.5173.2-176.441.2000108.3
238P96.9Very high96.7Very high72 Ų7264.7 Ų64.747%0.46832%0.323SS..SBendcis-64.1156.6-2.427.3-33.6000113.1Q214Q214-P238 PolarHBondContact NE2-O 2.66Å
239P97.9Very high97Very high80 Ų8067.3 Ų67.352%0.51934%0.338SS..PPolyproline II helixtrans-63.2166.7177.728.5-36000111.5Q214 Y241Q214-P239 PolarHBondContact NE2-O 2.68Å; Q214-P239 PolarHBondContact OE1-O 2.93Å; P239-Y241 PolarHBondContact O-N 3.31Å
240P98.5Very high97.2Very high14 Ų1459.8 Ų59.89%0.09131%0.309CS..PPolyproline II helixtrans-51.1139.3171.4-23.932.7000111.3V210 Q214 L222 E233 I236 L242V210-P240 HydrophobicContact CG1-CB 3.78Å; V210-P240 HydrophobicContact CG1-CG 3.97Å; Q214-P240 VanDerWaalsContact OE1-CA 3.32Å; L222-P240 HydrophobicContact CB-CB 3.96Å; L222-P240 HydrophobicContact CB-CG 3.9Å; L222-P240 HydrophobicContact CD2-CG 3.93Å; E233-P240 HydrophobicContact CB-CG 4.06Å; E233-P240 VanDerWaalsContact O-CD 3.28Å; E233-P240 WeakPolarHBondContact O-CD 3.35Å; I236-P240 HydrophobicContact CD1-CG 4.07Å; P240-L242 WeakPolarHBondContact CB-O 3.47Å; P240-L242 PolarHBondContact O-N 3.23Å
241Y98.4Very high97.4Very high99 Ų9953 Ų5339%0.38827%0.273SS..SBendtrans-54.6-38.5171.7163.5-106.2000111.7Q214 L219 G220 I221 P239 H253 L258Q214-Y241 VanDerWaalsContact OE1-N 3.11Å; L219-Y241 HydrophobicContact CB-CD1 4.3Å; L219-Y241 HydrophobicContact CB-CG 4.32Å; L219-Y241 HydrophobicContact CD1-CD1 4.25Å; L219-Y241 HydrophobicContact CD1-CD2 4.49Å; L219-Y241 HydrophobicContact CD1-CE1 4.2Å; L219-Y241 HydrophobicContact CD1-CE2 4.46Å; L219-Y241 HydrophobicContact CD1-CG 4.39Å; L219-Y241 HydrophobicContact CD2-CD2 3.91Å; L219-Y241 HydrophobicContact CD2-CG 3.95Å; L219-Y241 HydrophobicContact CG-CG 4.46Å; G220-Y241 WeakPolarHBondContact O-CB 3.42Å; G220-Y241 PolarHBondContact O-N 2.69Å; I221-Y241 HydrophobicContact CG1-CD1 4.19Å; P239-Y241 PolarHBondContact O-N 3.31Å; Y241-H253 AromaticContact CE1-CD2 3.95Å; Y241-H253 AromaticContact CE1-NE2 3.42Å; Y241-H253 WeakPolarHBondContact CE1-NE2 3.49Å; Y241-H253 AromaticContact CZ-NE2 3.65Å; Y241-H253 PolarHBondContact OH-NE2 3.1Å; Y241-L258 HydrophobicContact CE1-CD1 4.18Å; Y241-L258 HydrophobicContact CE1-CD2 4.45Å; Y241-L258 WeakPolarHBondContact OH-CD2 3.39Å
242L98.6Very high97.6Very high43 Ų4355 Ų5523%0.22528%0.28CS..EExtended strand (participates in β ladder)trans-143.2146.8171.717868.1000109.6G220 I221 L222 P240 C244 H253G220-L242 PolarHBondContact O-N 3.42Å; I221-L242 WeakPolarHBondContact CA-O 3.43Å; I221-L242 HydrophobicContact CG1-CB 4.15Å; I221-L242 HydrophobicContact CG2-CB 4.15Å; I221-L242 HydrophobicContact CG2-CD2 4.07Å; I221-L242 HydrophobicContact CG2-CG 4.28Å; L222-L242 PolarHBondContact N-O 2.97Å; P240-L242 WeakPolarHBondContact CB-O 3.47Å; P240-L242 PolarHBondContact O-N 3.23Å; L242-C244 HydrophobicContact CD2-CB 4.22Å; L242-C244 HydrophobicContact CG-CB 4.33Å; L242-H253 HydrophobicContact CD2-CB 3.76Å; L242-H253 VanDerWaalsContact CD2-CG 3.49Å
243T98.8Very high97.8Very high43 Ų4356.3 Ų56.326%0.26429%0.285SS..EExtended strand (participates in β ladder)trans-120.6123.1162.6-550000108.8L222 K224 Y228 E233L222-T243 HydrophobicContact CB-CG2 4.26Å; L222-T243 HydrophobicContact CD2-CG2 4.33Å; L222-T243 HydrophobicContact CG-CG2 4.38Å; L222-T243 CarbonylContact O-C 3.34Å; L222-T243 VanDerWaalsContact O-CA 3.27Å; L222-T243 WeakPolarHBondContact O-CA 3.36Å; K224-T243 HydrophobicContact CG-CG2 4.11Å; Y228-T243 HydrophobicContact CE2-CG2 4.41Å; E233-T243 HydrophobicContact CB-CG2 4.5Å
244C98.5Very high97.9Very high16 Ų1654.3 Ų54.311%0.10828%0.276CS..EExtended strand (participates in β ladder)trans-135166.3-176.562.80000111.7L222 V223 K224 L242 S246 D249L222-C244 PolarHBondContact O-N 2.84Å; V223-C244 CarbonylContact C-O 3.6Å; V223-C244 WeakPolarHBondContact CA-O 3.37Å; K224-C244 WeakPolarHBondContact CG-O 3.37Å; K224-C244 PolarHBondContact N-O 3.05Å; L242-C244 HydrophobicContact CD2-CB 4.22Å; L242-C244 HydrophobicContact CG-CB 4.33Å; C244-S246 PolarHBondContact O-N 3.27Å; C244-S246 PolarHBondContact SG-O 2.81Å; C244-D249 HydrophobicContact CB-CB 3.88Å
245N98.3Very high97.9Very high107 Ų10748 Ų4857%0.57226%0.256SS*.SBendtrans-69-36.3-169.7-61.1-39.4000112.6K224 D249K224-N245 PolarHBondContact N-O 3.09Å; N245-D249 WeakPolarHBondContact CB-OD2 3.47Å
246S98.4Very high98Very high21 Ų2151.4 Ų51.415%0.14727%0.265CS..SBendtrans-153.7171.4-172.668.20000113C244 P248 D249 A250C244-S246 PolarHBondContact O-N 3.27Å; C244-S246 PolarHBondContact SG-O 2.81Å; S246-P248 WeakPolarHBondContact OG-CD 3.13Å; S246-D249 PolarHBondContact N-OD2 3.26Å; S246-D249 PolarHBondContact O-N 2.79Å; S246-D249 PolarHBondContact OG-OD2 3.43Å; S246-A250 PolarHBondContact O-N 2.99Å
247F98.7Very high97.9Very high0 Ų053.2 Ų53.20%028%0.275CS..Hα-helixtrans-56.4-44.3173.3170.7-99.5000113.5I12 T17 L18 A28 A31 L32 I202 D249 A250 V251I12-F247 HydrophobicContact CD1-CE2 3.79Å; I12-F247 HydrophobicContact CD1-CZ 3.97Å; I12-F247 HydrophobicContact CG1-CE2 4.13Å; I12-F247 HydrophobicContact CG2-CD2 4.04Å; I12-F247 HydrophobicContact CG2-CE2 3.62Å; I12-F247 HydrophobicContact CG2-CZ 4.4Å; T17-F247 HydrophobicContact CG2-CB 4.22Å; T17-F247 HydrophobicContact CG2-CD2 4.11Å; T17-F247 WeakPolarHBondContact O-CB 3.37Å; L18-F247 HydrophobicContact CD2-CD1 3.57Å; L18-F247 HydrophobicContact CD2-CD2 3.91Å; L18-F247 HydrophobicContact CD2-CE1 3.54Å; L18-F247 HydrophobicContact CD2-CE2 3.9Å; L18-F247 HydrophobicContact CD2-CG 3.75Å; L18-F247 HydrophobicContact CD2-CZ 3.72Å; A28-F247 HydrophobicContact CB-CD1 3.95Å; A28-F247 WeakPolarHBondContact O-CE1 3.41Å; A31-F247 HydrophobicContact CB-CD1 4.03Å; A31-F247 HydrophobicContact CB-CE1 3.81Å; L32-F247 HydrophobicContact CB-CE1 4.22Å; L32-F247 HydrophobicContact CB-CZ 4.42Å; I202-F247 HydrophobicContact CD1-CD2 4.03Å; I202-F247 HydrophobicContact CD1-CE2 3.84Å; I202-F247 HydrophobicContact CG2-CD2 4.14Å; F247-D249 VanDerWaalsContact C-N 3.3Å; F247-D249 PolarHBondContact O-N 3.22Å; F247-A250 WeakPolarHBondContact O-CB 3.23Å; F247-A250 PolarHBondContact O-N 3.43Å; F247-A250 VanDerWaalsContact O-N 3.11Å; F247-V251 HydrophobicContact CD1-CG2 4.29Å; F247-V251 HydrophobicContact CD2-CG2 4.33Å; F247-V251 HydrophobicContact CE1-CG2 3.77Å; F247-V251 HydrophobicContact CE2-CG2 3.79Å; F247-V251 HydrophobicContact CZ-CG2 3.48Å; F247-V251 VanDerWaalsContact CZ-CG2 3.48Å; F247-V251 PolarHBondContact O-N 3.03Å
248P98.8Very high97.8Very high20 Ų2047.8 Ų47.813%0.1325%0.246CC..Hα-helixtrans-54.4-39.4172.7-30.335.5000115.3P26 A31 S246 A250 V251 E252P26-P248 WeakPolarHBondContact O-CG 3.38Å; A31-P248 HydrophobicContact CB-CB 3.94Å; A31-P248 HydrophobicContact CB-CG 3.98Å; S246-P248 WeakPolarHBondContact OG-CD 3.13Å; P248-A250 VanDerWaalsContact C-N 3.35Å; P248-V251 PolarHBondContact O-N 3.43Å; P248-E252 PolarHBondContact O-N 3.44Å
249D98.8Very high97.5Very high67 Ų6749.3 Ų49.336%0.35825%0.25SC..Hα-helixtrans-67.2-38.2177.2-55.8-59.6000111.4C244 N245 S246 F247 E252 H253C244-D249 HydrophobicContact CB-CB 3.88Å; N245-D249 WeakPolarHBondContact CB-OD2 3.47Å; S246-D249 PolarHBondContact N-OD2 3.26Å; S246-D249 PolarHBondContact O-N 2.79Å; S246-D249 PolarHBondContact OG-OD2 3.43Å; F247-D249 VanDerWaalsContact C-N 3.3Å; F247-D249 PolarHBondContact O-N 3.22Å; D249-E252 PolarHBondContact O-N 2.9Å; D249-H253 PolarHBondContact O-N 2.96Å
250A98.7Very high97.5Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-63-45175.200000111.3I202 I221 V223 S246 F247 P248 H253 I254I202-A250 HydrophobicContact CD1-CB 3.98Å; I202-A250 HydrophobicContact CG1-CB 4.32Å; I202-A250 HydrophobicContact CG2-CB 3.88Å; I221-A250 HydrophobicContact CD1-CB 4.36Å; I221-A250 HydrophobicContact CG2-CB 3.71Å; V223-A250 HydrophobicContact CG1-CB 4.38Å; S246-A250 PolarHBondContact O-N 2.99Å; F247-A250 WeakPolarHBondContact O-CB 3.23Å; F247-A250 PolarHBondContact O-N 3.43Å; F247-A250 VanDerWaalsContact O-N 3.11Å; P248-A250 VanDerWaalsContact C-N 3.35Å; A250-H253 PolarHBondContact O-N 3.44Å; A250-I254 WeakPolarHBondContact O-CG1 3.37Å; A250-I254 PolarHBondContact O-N 3.46Å
251V98.6Very high97.4Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-60.4-47.1176170.60000110.9A31 L35 F247 P248 H253 I254 L255A31-V251 HydrophobicContact CB-CB 4.16Å; A31-V251 HydrophobicContact CB-CG1 4.38Å; A31-V251 HydrophobicContact CB-CG2 4.05Å; A31-V251 WeakPolarHBondContact O-CG1 3.44Å; L35-V251 HydrophobicContact CB-CG1 4.01Å; L35-V251 HydrophobicContact CB-CG2 4.39Å; L35-V251 HydrophobicContact CD1-CG1 4.5Å; L35-V251 HydrophobicContact CD2-CG2 4.33Å; F247-V251 HydrophobicContact CD1-CG2 4.29Å; F247-V251 HydrophobicContact CD2-CG2 4.33Å; F247-V251 HydrophobicContact CE1-CG2 3.77Å; F247-V251 HydrophobicContact CE2-CG2 3.79Å; F247-V251 HydrophobicContact CZ-CG2 3.48Å; F247-V251 VanDerWaalsContact CZ-CG2 3.48Å; F247-V251 PolarHBondContact O-N 3.03Å; P248-V251 PolarHBondContact O-N 3.43Å; V251-H253 VanDerWaalsContact C-N 3.26Å; V251-H253 PolarHBondContact O-N 3.42Å; V251-I254 PolarHBondContact O-N 3.11Å; V251-L255 HydrophobicContact CG1-CD1 3.78Å; V251-L255 HydrophobicContact CG1-CG 4.15Å; V251-L255 WeakPolarHBondContact O-CG 3.43Å; V251-L255 PolarHBondContact O-N 3.28Å
252E98.4Very high97.4Very high53 Ų5346.8 Ų46.825%0.24824%0.236CC..Hα-helixtrans-58.5-41.2178.4-168.564.3-154.300111.6R34 P248 D249 R256R34-E252 IonicContact CZ-OE2 3.71Å; R34-E252 IonicContact NH1-OE2 2.69Å; R34-E252 PolarHBondContact NH1-OE2 3.42Å; R34-E252 IonicContact NH2-OE2 3.91Å; P248-E252 PolarHBondContact O-N 3.44Å; D249-E252 PolarHBondContact O-N 2.9Å; E252-R256 WeakPolarHBondContact O-CB 3.46Å; E252-R256 WeakPolarHBondContact O-CG 3.33Å; E252-R256 PolarHBondContact O-N 3.21Å; E252-R256 VanDerWaalsContact O-N 3.13Å; E252-R256 IonicContact OE1-CZ 3.56Å; E252-R256 IonicContact OE1-NE 3.38Å; E252-R256 PolarHBondContact OE1-NE 3.04Å; E252-R256 IonicContact OE1-NH2 2.89Å; E252-R256 PolarHBondContact OE1-NH2 3.44Å
253H98.4Very high97.3Very high43 Ų4347 Ų4720%0.19924%0.236CC..Hα-helixtrans-63.9-44.5176.3-177.380.5000112.6Y241 L242 D249 A250 V251 R256 N257Y241-H253 AromaticContact CE1-CD2 3.95Å; Y241-H253 AromaticContact CE1-NE2 3.42Å; Y241-H253 WeakPolarHBondContact CE1-NE2 3.49Å; Y241-H253 AromaticContact CZ-NE2 3.65Å; Y241-H253 PolarHBondContact OH-NE2 3.1Å; L242-H253 HydrophobicContact CD2-CB 3.76Å; L242-H253 VanDerWaalsContact CD2-CG 3.49Å; D249-H253 PolarHBondContact O-N 2.96Å; A250-H253 PolarHBondContact O-N 3.44Å; V251-H253 VanDerWaalsContact C-N 3.26Å; V251-H253 PolarHBondContact O-N 3.42Å; H253-R256 PolarHBondContact O-N 3.42Å; H253-N257 PolarHBondContact ND1-ND2 2.85Å; H253-N257 VanDerWaalsContact ND1-ND2 3.13Å; H253-N257 WeakPolarHBondContact O-CB 3.21Å; H253-N257 PolarHBondContact O-N 3.47Å; H253-N257 PolarHBondContact O-ND2 3.21Å
254I97.8Very high97.2Very high0 Ų047.3 Ų47.30%024%0.235CC..Hα-helixtrans-59.2-51.2177.8-70.6164000110.1L7 V10 L35 V200 I202 I221 A250 V251 R256 N257 L258 L259L7-I254 HydrophobicContact CD2-CG2 3.61Å; V10-I254 HydrophobicContact CG1-CD1 4.2Å; V10-I254 HydrophobicContact CG2-CD1 4.34Å; L35-I254 HydrophobicContact CD1-CG2 4.18Å; V200-I254 HydrophobicContact CG1-CD1 3.78Å; V200-I254 HydrophobicContact CG1-CG1 4.25Å; I202-I254 HydrophobicContact CD1-CD1 3.67Å; I202-I254 HydrophobicContact CG1-CD1 4.26Å; I221-I254 HydrophobicContact CD1-CD1 3.97Å; I221-I254 HydrophobicContact CD1-CG1 3.86Å; A250-I254 WeakPolarHBondContact O-CG1 3.37Å; A250-I254 PolarHBondContact O-N 3.46Å; V251-I254 PolarHBondContact O-N 3.11Å; I254-R256 VanDerWaalsContact C-N 3.27Å; I254-R256 PolarHBondContact O-N 3.22Å; I254-N257 PolarHBondContact O-N 3.41Å; I254-L258 HydrophobicContact CG1-CD1 4.13Å; I254-L258 HydrophobicContact CG2-CB 4.47Å; I254-L258 PolarHBondContact O-N 2.9Å; I254-L259 HydrophobicContact CG2-CD1 4.23Å; I254-L259 HydrophobicContact CG2-CG 4.3Å; I254-L259 PolarHBondContact O-N 3.48Å
255L97.1Very high97.1Very high49 Ų4949.3 Ų49.326%0.25724%0.243SC..Hα-helixtrans-61.5-32.9-177.7-67.9176000113R34 L35 A38 V251 L259R34-L255 HydrophobicContact CB-CD1 4.16Å; L35-L255 HydrophobicContact CD1-CD2 4.43Å; A38-L255 HydrophobicContact CB-CD2 3.66Å; V251-L255 HydrophobicContact CG1-CD1 3.78Å; V251-L255 HydrophobicContact CG1-CG 4.15Å; V251-L255 WeakPolarHBondContact O-CG 3.43Å; V251-L255 PolarHBondContact O-N 3.28Å; L255-L259 HydrophobicContact CD2-CD1 4.11Å
256R96.1Very high97Very high178 Ų17845.2 Ų45.267%0.67222%0.22SC*.Hα-helixtrans-87.9-30.5-178.3-71.1-177.2-174.6-174.56.7114.6E252 H253 I254E252-R256 WeakPolarHBondContact O-CB 3.46Å; E252-R256 WeakPolarHBondContact O-CG 3.33Å; E252-R256 PolarHBondContact O-N 3.21Å; E252-R256 VanDerWaalsContact O-N 3.13Å; E252-R256 IonicContact OE1-CZ 3.56Å; E252-R256 IonicContact OE1-NE 3.38Å; E252-R256 PolarHBondContact OE1-NE 3.04Å; E252-R256 IonicContact OE1-NH2 2.89Å; E252-R256 PolarHBondContact OE1-NH2 3.44Å; H253-R256 PolarHBondContact O-N 3.42Å; I254-R256 VanDerWaalsContact C-N 3.27Å; I254-R256 PolarHBondContact O-N 3.22Å
257N94.9Very high96.9Very high64 Ų6447.1 Ų47.134%0.34223%0.225SC..Hα-helixtrans-122.1-21.4-163.9-59.3-79.9000114.6H253 I254H253-N257 PolarHBondContact ND1-ND2 2.85Å; H253-N257 VanDerWaalsContact ND1-ND2 3.13Å; H253-N257 WeakPolarHBondContact O-CB 3.21Å; H253-N257 PolarHBondContact O-N 3.47Å; H253-N257 PolarHBondContact O-ND2 3.21Å; I254-N257 PolarHBondContact O-N 3.41Å
258L93.4Very high96.8Very high34 Ų3451 Ų5118%0.17824%0.244CC..THydrogen-bonded Turntrans-114.8-13-174.1-61.2-176000113.8L7 L219 Y241 I254L7-L258 HydrophobicContact CB-CB 4.38Å; L7-L258 HydrophobicContact CD2-CB 3.97Å; L7-L258 HydrophobicContact CD2-CD1 4.26Å; L219-L258 HydrophobicContact CD1-CD1 4.11Å; L219-L258 HydrophobicContact CD1-CD2 4.12Å; Y241-L258 HydrophobicContact CE1-CD1 4.18Å; Y241-L258 HydrophobicContact CE1-CD2 4.45Å; Y241-L258 WeakPolarHBondContact OH-CD2 3.39Å; I254-L258 HydrophobicContact CG1-CD1 4.13Å; I254-L258 HydrophobicContact CG2-CB 4.47Å; I254-L258 PolarHBondContact O-N 2.9Å
259L90.3Very high96.6Very high104 Ų10453.8 Ų53.855%0.54525%0.254SS..  trans-116.40174-58-178.6000110L7 A38 V40 I254 L255L7-L259 HydrophobicContact CB-CD2 3.93Å; L7-L259 HydrophobicContact CD2-CD2 4.21Å; L7-L259 HydrophobicContact CG-CD2 4.48Å; A38-L259 HydrophobicContact CB-CD1 3.6Å; V40-L259 HydrophobicContact CG1-CD1 3.81Å; V40-L259 HydrophobicContact CG1-CD2 3.39Å; V40-L259 HydrophobicContact CG1-CG 4.2Å; V40-L259 HydrophobicContact CG2-CD1 4.37Å; I254-L259 HydrophobicContact CG2-CD1 4.23Å; I254-L259 HydrophobicContact CG2-CG 4.3Å; I254-L259 PolarHBondContact O-N 3.48Å; L255-L259 HydrophobicContact CD2-CD1 4.11Å

Retrieved 259 of 259 residues in 238 ms (Link to these results)

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