A0A087YJD4_POEFO Loading...

DNA polymerase kappa

AlphaFold DB , UniProt , Accession A0A087YJD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 592 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
1M95.4Very high98Very high205 Ų205125 Ų125100%1.0159%0.594SS**  0-69.10-64-177.7-164.800111.5F3 R4M1-F3 PolarHBondContact O-N 2.66Å; M1-F3 VanDerWaalsContact O-N 3.12Å; M1-R4 WeakPolarHBondContact O-CA 3.4Å; M1-R4 WeakPolarHBondContact O-CB 3.46Å; M1-R4 PolarHBondContact O-N 2.72Å
2R98Very high98Very high58 Ų58121.3 Ų121.322%0.21959%0.586CS.*Hα-helixtrans-36.6-54.8-176.2-71.4170.248-111.8-17.8115.5R4 I5 E6 A13 N34R2-R4 VanDerWaalsContact C-N 3.32Å; R2-R4 PolarHBondContact O-N 3.32Å; R2-I5 WeakPolarHBondContact O-CA 3.38Å; R2-I5 WeakPolarHBondContact O-CB 3.49Å; R2-I5 PolarHBondContact O-N 2.72Å; R2-E6 PolarHBondContact O-N 2.68Å; R2-A13 WeakPolarHBondContact CD-O 3.47Å; R2-A13 HydrophobicContact CG-CB 4.4Å; R2-A13 WeakPolarHBondContact CG-O 3.23Å; R2-A13 PolarHBondContact NE-O 2.93Å; R2-N34 VanDerWaalsContact CZ-O 3.29Å; R2-N34 PolarHBondContact NH2-O 2.92Å; R2-N34 PolarHBondContact NH2-OD1 3.01Å
3F98.2Very high98Very high137 Ų137113.8 Ų113.860%0.60156%0.556SS**Hα-helixtrans-49.4-43.3174.4176.9-104.2000114.5M1 I5 E6 Q7M1-F3 PolarHBondContact O-N 2.66Å; M1-F3 VanDerWaalsContact O-N 3.12Å; F3-I5 PolarHBondContact O-N 3.32Å; F3-E6 PolarHBondContact O-N 3.17Å; F3-Q7 HydrophobicContact CD1-CG 4.22Å; F3-Q7 HydrophobicContact CD2-CG 3.92Å; F3-Q7 HydrophobicContact CE1-CG 3.9Å; F3-Q7 HydrophobicContact CE2-CG 3.58Å; F3-Q7 HydrophobicContact CG-CG 4.24Å; F3-Q7 HydrophobicContact CZ-CG 3.57Å; F3-Q7 WeakPolarHBondContact O-CB 3.49Å; F3-Q7 WeakPolarHBondContact O-CG 3.26Å; F3-Q7 PolarHBondContact O-N 3.35Å
4R98.5Very high98Very high204 Ų204107.8 Ų107.877%0.7753%0.531SS*.Hα-helixtrans-70.5-16.9177.6-71.9-177.762.8-167-0.5113.9M1 R2 K8M1-R4 WeakPolarHBondContact O-CA 3.4Å; M1-R4 WeakPolarHBondContact O-CB 3.46Å; M1-R4 PolarHBondContact O-N 2.72Å; R2-R4 VanDerWaalsContact C-N 3.32Å; R2-R4 PolarHBondContact O-N 3.32Å; R4-K8 VanDerWaalsContact O-CB 3.32Å; R4-K8 WeakPolarHBondContact O-CB 3.43Å
5I98.3Very high98.1Very high75 Ų75102.9 Ų102.939%0.38552%0.515SS..Hα-helixtrans-80.7-56.1171.8-58.5172.1000107.4R2 F3 Q7 K8 T9 A13R2-I5 WeakPolarHBondContact O-CA 3.38Å; R2-I5 WeakPolarHBondContact O-CB 3.49Å; R2-I5 PolarHBondContact O-N 2.72Å; F3-I5 PolarHBondContact O-N 3.32Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 2.86Å; I5-K8 PolarHBondContact O-N 3.01Å; I5-T9 PolarHBondContact O-N 2.94Å; I5-T9 PolarHBondContact O-OG1 2.87Å; I5-T9 VanDerWaalsContact O-OG1 3.07Å; I5-A13 HydrophobicContact CD1-CB 3.95Å
6E98.4Very high98.1Very high61 Ų6197.8 Ų97.829%0.28550%0.496SS..Hα-helixtrans-51.5-46.5178.7-168166.9-126.800112.5R2 F3 K8 T10 L11 N34R2-E6 PolarHBondContact O-N 2.68Å; F3-E6 PolarHBondContact O-N 3.17Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.41Å; E6-T10 VanDerWaalsContact O-CA 3.23Å; E6-T10 WeakPolarHBondContact O-CA 3.46Å; E6-T10 PolarHBondContact O-N 3Å; E6-L11 WeakPolarHBondContact CA-O 3.37Å; E6-N34 PolarHBondContact OE1-ND2 3.03Å; E6-N34 VanDerWaalsContact OE1-ND2 3.08Å
7Q98.4Very high98.1Very high138 Ų13896.8 Ų96.865%0.64549%0.491SS*.Hα-helixtrans-70.8-20.4176.1-65.8-65.9-69.200114.8F3 I5F3-Q7 HydrophobicContact CD1-CG 4.22Å; F3-Q7 HydrophobicContact CD2-CG 3.92Å; F3-Q7 HydrophobicContact CE1-CG 3.9Å; F3-Q7 HydrophobicContact CE2-CG 3.58Å; F3-Q7 HydrophobicContact CG-CG 4.24Å; F3-Q7 HydrophobicContact CZ-CG 3.57Å; F3-Q7 WeakPolarHBondContact O-CB 3.49Å; F3-Q7 WeakPolarHBondContact O-CG 3.26Å; F3-Q7 PolarHBondContact O-N 3.35Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 2.86Å
8K98.5Very high98.1Very high180 Ų18092.8 Ų92.878%0.78348%0.476SS*.Hα-helixtrans-98.8-30.8-178.6-177.3172.2179.4-178.20113.2R4 I5 E6R4-K8 VanDerWaalsContact O-CB 3.32Å; R4-K8 WeakPolarHBondContact O-CB 3.43Å; I5-K8 PolarHBondContact O-N 3.01Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.41Å
9T98.1Very high98.1Very high69 Ų6990.7 Ų90.742%0.42347%0.469SS..Hα-helixtrans-124.4-3.3-17265.80000113.8I5 L11I5-T9 PolarHBondContact O-N 2.94Å; I5-T9 PolarHBondContact O-OG1 2.87Å; I5-T9 VanDerWaalsContact O-OG1 3.07Å; T9-L11 PolarHBondContact O-N 3.35Å; T9-L11 VanDerWaalsContact O-N 3.11Å; T9-L11 PolarHBondContact OG1-N 2.95Å
10T98Very high98.1Very high132 Ų13287 Ų8781%0.8145%0.449SS*.SBendtrans59.915.5-173.5-17.60000113.8E6E6-T10 VanDerWaalsContact O-CA 3.23Å; E6-T10 WeakPolarHBondContact O-CA 3.46Å; E6-T10 PolarHBondContact O-N 3Å
11L98.3Very high98Very high116 Ų11686.8 Ų86.861%0.60745%0.447SS*.  trans-113.2136.9-179.2-62.8175.2000111.4E6 T9E6-L11 WeakPolarHBondContact CA-O 3.37Å; T9-L11 PolarHBondContact O-N 3.35Å; T9-L11 VanDerWaalsContact O-N 3.11Å; T9-L11 PolarHBondContact OG1-N 2.95Å
12T97.9Very high98Very high80 Ų8077.6 Ų77.649%0.49140%0.402SS..  trans-78.9156.8176.769.40000112N34T12-N34 VanDerWaalsContact CB-CG 3.46Å; T12-N34 HydrophobicContact CG2-CB 4.14Å; T12-N34 VanDerWaalsContact CG2-ND2 3.35Å; T12-N34 WeakPolarHBondContact CG2-ND2 3.4Å
13A98.1Very high98Very high25 Ų2574.9 Ų74.921%0.20739%0.392CS..  trans-142.6144.2179.600000111.8R2 I5 N34R2-A13 WeakPolarHBondContact CD-O 3.47Å; R2-A13 HydrophobicContact CG-CB 4.4Å; R2-A13 WeakPolarHBondContact CG-O 3.23Å; R2-A13 PolarHBondContact NE-O 2.93Å; I5-A13 HydrophobicContact CD1-CB 3.95Å; A13-N34 PolarHBondContact O-OD1 3.36Å
14S98.3Very high98Very high29 Ų2969.5 Ų69.520%0.20337%0.373CS..  trans-105.4149.1172.1-67.40000111.8S28 N31 N34 G35S14-S28 WeakPolarHBondContact CB-O 3.16Å; S14-N31 PolarHBondContact OG-O 3.45Å; S14-N34 PolarHBondContact OG-N 3.41Å; S14-G35 WeakPolarHBondContact CA-O 3.46Å; S14-G35 VanDerWaalsContact CB-O 3.26Å; S14-G35 WeakPolarHBondContact CB-O 3.23Å; S14-G35 PolarHBondContact OG-N 3.21Å; S14-G35 PolarHBondContact OG-O 3.01Å
15A98.5Very high98Very high34 Ų3463.9 Ų63.928%0.28135%0.354SS..EExtended strand (participates in β ladder)trans-137.5143.4-175.700000112.8G35 Q36 Y37A15-G35 PolarHBondContact N-O 3.11Å; A15-Q36 HydrophobicContact CB-CB 4.18Å; A15-Q36 CarbonylContact O-C 3.56Å; A15-Q36 WeakPolarHBondContact O-CA 3.29Å; A15-Q36 WeakPolarHBondContact O-CB 3.2Å; A15-Y37 PolarHBondContact O-N 3.45Å
16G98.2Very high98Very high21 Ų2160.9 Ų60.922%0.21634%0.339CS..EExtended strand (participates in β ladder)trans-116.5137.717400000110.2Y37G16-Y37 WeakPolarHBondContact CA-O 3.47Å
17I98.5Very high98Very high82 Ų8258 Ų5842%0.42133%0.326SS..EExtended strand (participates in β ladder)trans-127117.3-179.5-55.3170.6000107.1Y37 R38 L39I17-Y37 PolarHBondContact N-O 2.8Å; I17-R38 HydrophobicContact CB-CB 4.09Å; I17-R38 HydrophobicContact CB-CG 4.1Å; I17-R38 HydrophobicContact CG2-CG 4.01Å; I17-R38 CarbonylContact O-C 3.56Å; I17-R38 WeakPolarHBondContact O-CA 3.45Å; I17-L39 PolarHBondContact O-N 3.38Å
18A98.3Very high97.9Very high25 Ų2552.5 Ų52.521%0.20730%0.303CS..  trans-157.8170.4-177.300000111N20 L23 A24 L39A18-N20 VanDerWaalsContact C-N 3.3Å; A18-N20 PolarHBondContact O-N 3.04Å; A18-L23 HydrophobicContact CB-CB 3.5Å; A18-L23 VanDerWaalsContact CB-CB 3.5Å; A18-A24 HydrophobicContact CB-CB 4.2Å; A18-L39 HydrophobicContact CB-CB 3.97Å; A18-L39 HydrophobicContact CB-CD2 4.26Å
19P97.9Very high97.9Very high53 Ų5347.8 Ų47.834%0.34429%0.286SS..SBendtrans-65.2-21.4-176.2-27.338.4000116.5P41 V46P19-P41 HydrophobicContact CG-CB 4.06Å; P19-V46 HydrophobicContact CG-CG2 4.14Å
20N97.5Very high97.8Very high15 Ų1550.2 Ų50.28%0.0829%0.291CS..SBendtrans-146.3168.1-178.365.556.8000112.3A18 M22 L23 A24 G105 S107 S108 T109A18-N20 VanDerWaalsContact C-N 3.3Å; A18-N20 PolarHBondContact O-N 3.04Å; N20-M22 PolarHBondContact O-N 2.86Å; N20-M22 PolarHBondContact OD1-N 3.08Å; N20-L23 WeakPolarHBondContact ND2-CD1 3.42Å; N20-L23 PolarHBondContact O-N 3.47Å; N20-L23 WeakPolarHBondContact OD1-CG 3.41Å; N20-L23 PolarHBondContact OD1-N 3.1Å; N20-A24 WeakPolarHBondContact O-CB 3.13Å; N20-A24 PolarHBondContact O-N 2.96Å; N20-G105 PolarHBondContact ND2-O 3.19Å; N20-S107 WeakPolarHBondContact OD1-CB 3.46Å; N20-S108 WeakPolarHBondContact CB-O 3.33Å; N20-T109 HydrophobicContact CB-CG2 4.21Å
21M96.2Very high97.7Very high83 Ų8347 Ų4741%0.40927%0.269SS..Hα-helixtrans-61.7-39.5-172.7-68.2173.969.600113.6K25 S108 I111M21-K25 WeakPolarHBondContact O-CB 3.2Å; M21-K25 PolarHBondContact O-N 2.72Å; M21-S108 WeakPolarHBondContact CG-O 3.31Å; M21-S108 PolarHBondContact N-O 3.09Å; M21-I111 HydrophobicContact CE-CG1 4.32Å; M21-I111 HydrophobicContact CG-CG1 4.21Å; M21-I111 HydrophobicContact SD-CG1 3.91Å
22M97Very high97.7Very high13 Ų1347.2 Ų47.26%0.06427%0.265CS..Hα-helixtrans-64.5-54.2178.8179.5-88.9-70.600111N20 A24 K25 V26 I50 V58 S107N20-M22 PolarHBondContact O-N 2.86Å; N20-M22 PolarHBondContact OD1-N 3.08Å; M22-A24 VanDerWaalsContact C-N 3.28Å; M22-A24 PolarHBondContact O-N 3.12Å; M22-K25 PolarHBondContact O-N 2.98Å; M22-K25 VanDerWaalsContact O-N 3.13Å; M22-V26 WeakPolarHBondContact O-CG2 3.23Å; M22-V26 PolarHBondContact O-N 2.91Å; M22-V26 HydrophobicContact SD-CG2 4.31Å; M22-I50 HydrophobicContact CE-CD1 4.21Å; M22-V58 HydrophobicContact CG-CG1 3.97Å; M22-V58 HydrophobicContact SD-CG1 4.07Å; M22-S107 WeakPolarHBondContact CB-OG 3.47Å
23L98Very high97.7Very high0 Ų049 Ų490%028%0.278CS..Hα-helixtrans-59.2-40.9178.2-67.5172.9000111.2A18 N20 K25 V26 C27 L39 V46 F49 I50 G105A18-L23 HydrophobicContact CB-CB 3.5Å; A18-L23 VanDerWaalsContact CB-CB 3.5Å; N20-L23 WeakPolarHBondContact ND2-CD1 3.42Å; N20-L23 PolarHBondContact O-N 3.47Å; N20-L23 WeakPolarHBondContact OD1-CG 3.41Å; N20-L23 PolarHBondContact OD1-N 3.1Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.26Å; L23-V26 PolarHBondContact O-N 2.75Å; L23-C27 WeakPolarHBondContact O-CB 3.24Å; L23-C27 PolarHBondContact O-N 2.97Å; L23-C27 PolarHBondContact O-SG 3.16Å; L23-L39 HydrophobicContact CB-CD2 4.13Å; L23-L39 HydrophobicContact CD1-CD2 3.89Å; L23-L39 HydrophobicContact CD2-CD2 3.95Å; L23-L39 HydrophobicContact CG-CD2 4.22Å; L23-V46 HydrophobicContact CD1-CG1 3.8Å; L23-V46 HydrophobicContact CD1-CG2 4.01Å; L23-F49 HydrophobicContact CD2-CD1 4.16Å; L23-F49 HydrophobicContact CD2-CE1 4.29Å; L23-I50 HydrophobicContact CD2-CD1 3.68Å; L23-I50 HydrophobicContact CD2-CG1 3.91Å; L23-G105 WeakPolarHBondContact CD1-O 3.46Å
24A98Very high97.6Very high25 Ų2550.3 Ų50.321%0.20728%0.281CS..Hα-helixtrans-64.2-37.8178.600000112.2A18 N20 M22 C27 S28A18-A24 HydrophobicContact CB-CB 4.2Å; N20-A24 WeakPolarHBondContact O-CB 3.13Å; N20-A24 PolarHBondContact O-N 2.96Å; M22-A24 VanDerWaalsContact C-N 3.28Å; M22-A24 PolarHBondContact O-N 3.12Å; A24-C27 PolarHBondContact O-N 2.76Å; A24-S28 PolarHBondContact O-N 3.34Å
25K97.8Very high97.6Very high86 Ų8649.9 Ų49.937%0.37428%0.281SS..Hα-helixtrans-68.5-35174.5176.763.7-150.6760112.6M21 M22 L23 S28 D29 C59M21-K25 WeakPolarHBondContact O-CB 3.2Å; M21-K25 PolarHBondContact O-N 2.72Å; M22-K25 PolarHBondContact O-N 2.98Å; M22-K25 VanDerWaalsContact O-N 3.13Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.26Å; K25-S28 PolarHBondContact O-OG 3.38Å; K25-S28 VanDerWaalsContact O-OG 3.05Å; K25-D29 IonicContact NZ-OD1 2.64Å; K25-D29 PolarHBondContact NZ-OD1 2.89Å; K25-D29 IonicContact NZ-OD2 2.81Å; K25-D29 PolarHBondContact NZ-OD2 3.19Å; K25-C59 HydrophobicContact CG-CB 4.46Å
26V97.6Very high97.6Very high12 Ų1252.9 Ų52.97%0.07329%0.29CS..Hα-helixtrans-69.3-44.3173-177.60000110.3M22 L23 S28 D29 K30 F49 L53M22-V26 WeakPolarHBondContact O-CG2 3.23Å; M22-V26 PolarHBondContact O-N 2.91Å; M22-V26 HydrophobicContact SD-CG2 4.31Å; L23-V26 PolarHBondContact O-N 2.75Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.48Å; V26-D29 PolarHBondContact O-N 2.84Å; V26-K30 PolarHBondContact O-N 3.46Å; V26-F49 HydrophobicContact CB-CE1 4.34Å; V26-F49 HydrophobicContact CB-CZ 4.4Å; V26-F49 HydrophobicContact CG1-CE1 3.9Å; V26-F49 HydrophobicContact CG1-CZ 3.78Å; V26-L53 HydrophobicContact CG1-CD1 3.72Å; V26-L53 HydrophobicContact CG1-CD2 4.05Å; V26-L53 HydrophobicContact CG2-CD2 4.27Å
27C98.1Very high97.6Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-61.2-33.2179.6-68.50000113.3L23 A24 D29 K30 Y37L23-C27 WeakPolarHBondContact O-CB 3.24Å; L23-C27 PolarHBondContact O-N 2.97Å; L23-C27 PolarHBondContact O-SG 3.16Å; A24-C27 PolarHBondContact O-N 2.76Å; C27-D29 PolarHBondContact O-N 3.04Å; C27-K30 PolarHBondContact O-N 3.05Å; C27-Y37 HydrophobicContact CB-CD1 3.92Å
28S98Very high97.6Very high23 Ų2358.5 Ų58.516%0.16130%0.299CS..Hα-helixtrans-71.8-13.5-179.467.60000114.6S14 A24 K25 V26 K32S14-S28 WeakPolarHBondContact CB-O 3.16Å; A24-S28 PolarHBondContact O-N 3.34Å; K25-S28 PolarHBondContact O-OG 3.38Å; K25-S28 VanDerWaalsContact O-OG 3.05Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.48Å; S28-K32 WeakPolarHBondContact O-CE 3.37Å
29D97.2Very high97.6Very high80 Ų8057.5 Ų57.543%0.42829%0.291SS..Hα-helixtrans-97-24.1174.2-64.9-8.4000113.1K25 V26 C27 N31 K32K25-D29 IonicContact NZ-OD1 2.64Å; K25-D29 PolarHBondContact NZ-OD1 2.89Å; K25-D29 IonicContact NZ-OD2 2.81Å; K25-D29 PolarHBondContact NZ-OD2 3.19Å; V26-D29 PolarHBondContact O-N 2.84Å; C27-D29 PolarHBondContact O-N 3.04Å; D29-N31 VanDerWaalsContact C-N 3.35Å; D29-N31 PolarHBondContact O-N 2.84Å; D29-K32 HydrophobicContact CB-CD 4.29Å; D29-K32 PolarHBondContact O-N 2.94Å; D29-K32 WeakPolarHBondContact OD1-CE 3.37Å; D29-K32 IonicContact OD1-NZ 3.73Å
30K95.9Very high97.6Very high121 Ų12157.4 Ų57.453%0.52629%0.29SS..Hα-helixtrans-60.6-39.3-173.3-176.9172.3170.164.90113.7V26 C27 Y37 F49V26-K30 PolarHBondContact O-N 3.46Å; C27-K30 PolarHBondContact O-N 3.05Å; K30-Y37 HydrophobicContact CD-CD1 4.04Å; K30-Y37 HydrophobicContact CD-CD2 3.85Å; K30-Y37 HydrophobicContact CD-CE1 4.01Å; K30-Y37 HydrophobicContact CD-CE2 3.85Å; K30-Y37 HydrophobicContact CD-CG 3.95Å; K30-Y37 VanDerWaalsContact CE-CE2 3.49Å; K30-F49 HydrophobicContact CD-CE2 4.12Å
31N97.1Very high97.6Very high64 Ų6461.1 Ų61.134%0.34232%0.315SS..THydrogen-bonded Turntrans-113.854.9179.8-68.83000110.4S14 D29 G35 Q36S14-N31 PolarHBondContact OG-O 3.45Å; D29-N31 VanDerWaalsContact C-N 3.35Å; D29-N31 PolarHBondContact O-N 2.84Å; N31-G35 CarbonylContact O-C 3.38Å; N31-G35 VanDerWaalsContact O-C 3.24Å; N31-G35 WeakPolarHBondContact O-CA 3.37Å; N31-G35 PolarHBondContact O-N 3.04Å; N31-Q36 PolarHBondContact ND2-O 3.19Å
32K97.4Very high97.7Very high121 Ų12160.4 Ų60.453%0.52632%0.315SS..THydrogen-bonded Turntrans-95.2147.9168.7-77.7178.2179.1-68.40110.6S28 D29S28-K32 WeakPolarHBondContact O-CE 3.37Å; D29-K32 HydrophobicContact CB-CD 4.29Å; D29-K32 PolarHBondContact O-N 2.94Å; D29-K32 WeakPolarHBondContact OD1-CE 3.37Å; D29-K32 IonicContact OD1-NZ 3.73Å
33P97.4Very high97.7Very high118 Ų11868 Ų6877%0.76634%0.343SS*.THydrogen-bonded Turncis-80.6167.1-8.834.9-35.8000112.7G35P33-G35 PolarHBondContact O-N 2.87Å
34N97.2Very high97.7Very high52 Ų5273 Ų7328%0.27837%0.366SS..THydrogen-bonded Turntrans41.717.4177.2-153.310.9000118.6R2 E6 T12 A13 S14R2-N34 VanDerWaalsContact CZ-O 3.29Å; R2-N34 PolarHBondContact NH2-O 2.92Å; R2-N34 PolarHBondContact NH2-OD1 3.01Å; E6-N34 PolarHBondContact OE1-ND2 3.03Å; E6-N34 VanDerWaalsContact OE1-ND2 3.08Å; T12-N34 VanDerWaalsContact CB-CG 3.46Å; T12-N34 HydrophobicContact CG2-CB 4.14Å; T12-N34 VanDerWaalsContact CG2-ND2 3.35Å; T12-N34 WeakPolarHBondContact CG2-ND2 3.4Å; A13-N34 PolarHBondContact O-OD1 3.36Å; S14-N34 PolarHBondContact OG-N 3.41Å
35G97.4Very high97.7Very high20 Ų2072.8 Ų72.821%0.20637%0.365CS..  trans-100176.117300000113.4S14 A15 N31 P33S14-G35 WeakPolarHBondContact CA-O 3.46Å; S14-G35 VanDerWaalsContact CB-O 3.26Å; S14-G35 WeakPolarHBondContact CB-O 3.23Å; S14-G35 PolarHBondContact OG-N 3.21Å; S14-G35 PolarHBondContact OG-O 3.01Å; A15-G35 PolarHBondContact N-O 3.11Å; N31-G35 CarbonylContact O-C 3.38Å; N31-G35 VanDerWaalsContact O-C 3.24Å; N31-G35 WeakPolarHBondContact O-CA 3.37Å; N31-G35 PolarHBondContact O-N 3.04Å; P33-G35 PolarHBondContact O-N 2.87Å
36Q98.4Very high97.8Very high97 Ų9769.3 Ų69.345%0.45335%0.351SS..EExtended strand (participates in β ladder)trans-138.5153.7170.166.2-17253.100110.4A15 N31A15-Q36 HydrophobicContact CB-CB 4.18Å; A15-Q36 CarbonylContact O-C 3.56Å; A15-Q36 WeakPolarHBondContact O-CA 3.29Å; A15-Q36 WeakPolarHBondContact O-CB 3.2Å; N31-Q36 PolarHBondContact ND2-O 3.19Å
37Y98.4Very high97.8Very high66 Ų6670.4 Ų70.426%0.25936%0.356SS..EExtended strand (participates in β ladder)trans-132.8135.1176.6-172.7-97.6000110.7A15 G16 I17 C27 K30 L39 F49A15-Y37 PolarHBondContact O-N 3.45Å; G16-Y37 WeakPolarHBondContact CA-O 3.47Å; I17-Y37 PolarHBondContact N-O 2.8Å; C27-Y37 HydrophobicContact CB-CD1 3.92Å; K30-Y37 HydrophobicContact CD-CD1 4.04Å; K30-Y37 HydrophobicContact CD-CD2 3.85Å; K30-Y37 HydrophobicContact CD-CE1 4.01Å; K30-Y37 HydrophobicContact CD-CE2 3.85Å; K30-Y37 HydrophobicContact CD-CG 3.95Å; K30-Y37 VanDerWaalsContact CE-CE2 3.49Å; Y37-L39 HydrophobicContact CE1-CB 4.37Å; Y37-F49 HydrophobicContact CD1-CE2 4.48Å; Y37-F49 HydrophobicContact CE1-CD2 4.14Å; Y37-F49 AromaticContact CE1-CE2 3.75Å; Y37-F49 HydrophobicContact CE1-CE2 3.75Å
38R98.4Very high97.8Very high154 Ų15474.5 Ų74.558%0.58138%0.378SS*.EExtended strand (participates in β ladder)trans-114.4117.6174178.2176.4179.7-110.64.5109.5I17I17-R38 HydrophobicContact CB-CB 4.09Å; I17-R38 HydrophobicContact CB-CG 4.1Å; I17-R38 HydrophobicContact CG2-CG 4.01Å; I17-R38 CarbonylContact O-C 3.56Å; I17-R38 WeakPolarHBondContact O-CA 3.45Å
39L98.3Very high97.7Very high5 Ų574.8 Ų74.83%0.02638%0.376CS..  trans-82.2122.8165-172.861000108.3I17 A18 L23 Y37 A45 V46 F49I17-L39 PolarHBondContact O-N 3.38Å; A18-L39 HydrophobicContact CB-CB 3.97Å; A18-L39 HydrophobicContact CB-CD2 4.26Å; L23-L39 HydrophobicContact CB-CD2 4.13Å; L23-L39 HydrophobicContact CD1-CD2 3.89Å; L23-L39 HydrophobicContact CD2-CD2 3.95Å; L23-L39 HydrophobicContact CG-CD2 4.22Å; Y37-L39 HydrophobicContact CE1-CB 4.37Å; L39-A45 WeakPolarHBondContact CD1-O 3.36Å; L39-V46 HydrophobicContact CD2-CG2 4.07Å; L39-V46 HydrophobicContact CG-CG2 4.37Å; L39-F49 HydrophobicContact CD1-CB 3.63Å; L39-F49 HydrophobicContact CD1-CD2 3.89Å; L39-F49 HydrophobicContact CD1-CG 3.79Å; L39-F49 HydrophobicContact CD2-CB 4.39Å; L39-F49 HydrophobicContact CD2-CD1 4.09Å; L39-F49 HydrophobicContact CD2-CG 4.15Å
40P98.3Very high97.7Very high51 Ų5171 Ų7133%0.33136%0.356SS..  trans-57.9145.5175.6-25.634.7000112.2T42 A45P40-T42 PolarHBondContact O-N 3.32Å; P40-A45 HydrophobicContact CB-CB 3.88Å; P40-A45 HydrophobicContact CG-CB 4.01Å
41P97.3Very high97.7Very high92 Ų9269.7 Ų69.760%0.59735%0.351SS*.SBendtrans-83.343.5-179.836.9-37.4000112.8P19P19-P41 HydrophobicContact CG-CB 4.06Å
42T98.3Very high97.6Very high69 Ų6973.8 Ų73.842%0.42337%0.366SS..SBendtrans-111.1150172.760.80000109.5P40 E44 A45 V46P40-T42 PolarHBondContact O-N 3.32Å; T42-E44 PolarHBondContact O-N 3.36Å; T42-A45 WeakPolarHBondContact OG1-CB 3.37Å; T42-A45 PolarHBondContact OG1-N 2.81Å; T42-V46 WeakPolarHBondContact O-CG2 3.4Å; T42-V46 PolarHBondContact O-N 2.89Å; T42-V46 VanDerWaalsContact O-N 3.16Å
43R97.9Very high97.6Very high171 Ų17168.8 Ų68.865%0.64535%0.345SS*.Hα-helixtrans-62.9-35.8-178.3171.2-177.5171.7-79.4-1.4110.7V46 M47R43-V46 PolarHBondContact O-N 3.29Å; R43-M47 HydrophobicContact CG-CG 4.21Å; R43-M47 WeakPolarHBondContact O-CB 3.47Å; R43-M47 WeakPolarHBondContact O-CG 3.22Å; R43-M47 PolarHBondContact O-N 3.14Å
44E98.2Very high97.7Very high105 Ų10566.1 Ų66.149%0.49133%0.328SS..Hα-helixtrans-64.6-53.4-175.9-6356.4-118.400109.1T42 V46 M47 D48T42-E44 PolarHBondContact O-N 3.36Å; E44-V46 VanDerWaalsContact C-N 3.32Å; E44-V46 PolarHBondContact O-N 3.22Å; E44-M47 PolarHBondContact O-N 3.48Å; E44-D48 WeakPolarHBondContact O-CB 3.23Å; E44-D48 PolarHBondContact O-N 2.74Å
45A98.1Very high97.7Very high21 Ų2163.8 Ų63.817%0.17432%0.315CS..Hα-helixtrans-63.3-36.3177.500000112.8L39 P40 T42 F49L39-A45 WeakPolarHBondContact CD1-O 3.36Å; P40-A45 HydrophobicContact CB-CB 3.88Å; P40-A45 HydrophobicContact CG-CB 4.01Å; T42-A45 WeakPolarHBondContact OG1-CB 3.37Å; T42-A45 PolarHBondContact OG1-N 2.81Å; A45-F49 VanDerWaalsContact O-CB 3.26Å; A45-F49 WeakPolarHBondContact O-CB 3.01Å; A45-F49 PolarHBondContact O-N 2.61Å; A45-F49 VanDerWaalsContact O-N 3.13Å
46V98.2Very high97.6Very high14 Ų1467.9 Ų67.99%0.08533%0.325CS..Hα-helixtrans-65.4-44.2174.7170.30000111.3P19 L23 L39 T42 R43 E44 F49 I50P19-V46 HydrophobicContact CG-CG2 4.14Å; L23-V46 HydrophobicContact CD1-CG1 3.8Å; L23-V46 HydrophobicContact CD1-CG2 4.01Å; L39-V46 HydrophobicContact CD2-CG2 4.07Å; L39-V46 HydrophobicContact CG-CG2 4.37Å; T42-V46 WeakPolarHBondContact O-CG2 3.4Å; T42-V46 PolarHBondContact O-N 2.89Å; T42-V46 VanDerWaalsContact O-N 3.16Å; R43-V46 PolarHBondContact O-N 3.29Å; E44-V46 VanDerWaalsContact C-N 3.32Å; E44-V46 PolarHBondContact O-N 3.22Å; V46-F49 PolarHBondContact O-N 3.25Å; V46-I50 HydrophobicContact CG1-CG1 4.43Å; V46-I50 WeakPolarHBondContact O-CB 3.25Å; V46-I50 WeakPolarHBondContact O-CG1 3.35Å; V46-I50 PolarHBondContact O-N 3.04Å
47M97.8Very high97.6Very high35 Ų3570.2 Ų70.217%0.17233%0.333CS..Hα-helixtrans-69.3-43.4179.6-69.9-69.6166.200111.8R43 E44 F49 I50 Q51 L104R43-M47 HydrophobicContact CG-CG 4.21Å; R43-M47 WeakPolarHBondContact O-CB 3.47Å; R43-M47 WeakPolarHBondContact O-CG 3.22Å; R43-M47 PolarHBondContact O-N 3.14Å; E44-M47 PolarHBondContact O-N 3.48Å; M47-F49 PolarHBondContact O-N 3.38Å; M47-I50 PolarHBondContact O-N 3.48Å; M47-Q51 WeakPolarHBondContact O-CB 3.31Å; M47-Q51 VanDerWaalsContact O-CG 3.27Å; M47-Q51 WeakPolarHBondContact O-CG 3.37Å; M47-Q51 PolarHBondContact O-N 3.34Å; M47-L104 HydrophobicContact CE-CD2 4.47Å; M47-L104 WeakPolarHBondContact CE-O 3.46Å
48D97.8Very high97.5Very high86 Ų8667.2 Ų67.246%0.4632%0.322SS..Hα-helixtrans-57.8-35.6174-89.7-36.9000113E44 K52E44-D48 WeakPolarHBondContact O-CB 3.23Å; E44-D48 PolarHBondContact O-N 2.74Å; D48-K52 WeakPolarHBondContact O-CD 3.36Å; D48-K52 IonicContact OD1-NZ 3.77Å; D48-K52 PolarHBondContact OD1-NZ 2.9Å
49F97.6Very high97.3Very high28 Ų2864 Ų6412%0.12332%0.322CS..Hα-helixtrans-75.8-44.9176.8-178-89000111.9L23 V26 K30 Y37 L39 A45 V46 M47 L53L23-F49 HydrophobicContact CD2-CD1 4.16Å; L23-F49 HydrophobicContact CD2-CE1 4.29Å; V26-F49 HydrophobicContact CB-CE1 4.34Å; V26-F49 HydrophobicContact CB-CZ 4.4Å; V26-F49 HydrophobicContact CG1-CE1 3.9Å; V26-F49 HydrophobicContact CG1-CZ 3.78Å; K30-F49 HydrophobicContact CD-CE2 4.12Å; Y37-F49 HydrophobicContact CD1-CE2 4.48Å; Y37-F49 HydrophobicContact CE1-CD2 4.14Å; Y37-F49 AromaticContact CE1-CE2 3.75Å; Y37-F49 HydrophobicContact CE1-CE2 3.75Å; L39-F49 HydrophobicContact CD1-CB 3.63Å; L39-F49 HydrophobicContact CD1-CD2 3.89Å; L39-F49 HydrophobicContact CD1-CG 3.79Å; L39-F49 HydrophobicContact CD2-CB 4.39Å; L39-F49 HydrophobicContact CD2-CD1 4.09Å; L39-F49 HydrophobicContact CD2-CG 4.15Å; A45-F49 VanDerWaalsContact O-CB 3.26Å; A45-F49 WeakPolarHBondContact O-CB 3.01Å; A45-F49 PolarHBondContact O-N 2.61Å; A45-F49 VanDerWaalsContact O-N 3.13Å; V46-F49 PolarHBondContact O-N 3.25Å; M47-F49 PolarHBondContact O-N 3.38Å; F49-L53 HydrophobicContact CE1-CD2 4.35Å; F49-L53 PolarHBondContact O-N 3.45Å
50I96.9Very high97Very high1 Ų166.5 Ų66.51%0.00535%0.349CS..Hα-helixtrans-70.2-45.4-177.4-77.8-69.7000112.3M22 L23 V46 M47 K52 L53 C77M22-I50 HydrophobicContact CE-CD1 4.21Å; L23-I50 HydrophobicContact CD2-CD1 3.68Å; L23-I50 HydrophobicContact CD2-CG1 3.91Å; V46-I50 HydrophobicContact CG1-CG1 4.43Å; V46-I50 WeakPolarHBondContact O-CB 3.25Å; V46-I50 WeakPolarHBondContact O-CG1 3.35Å; V46-I50 PolarHBondContact O-N 3.04Å; M47-I50 PolarHBondContact O-N 3.48Å; I50-K52 PolarHBondContact O-N 3.48Å; I50-K52 VanDerWaalsContact O-N 3.1Å; I50-L53 HydrophobicContact CD1-CD2 4.03Å; I50-L53 VanDerWaalsContact O-CB 3.3Å; I50-L53 WeakPolarHBondContact O-CB 3.42Å; I50-L53 PolarHBondContact O-N 2.96Å; I50-C77 HydrophobicContact CG2-CB 3.81Å; I50-C77 WeakPolarHBondContact O-CB 3.28Å
51Q95.3Very high96.9Very high93 Ų9364.2 Ų64.244%0.43533%0.334SS..Hα-helixtrans-57.4-32.4-177.9-71.7172.730.100112.6M47 S78M47-Q51 WeakPolarHBondContact O-CB 3.31Å; M47-Q51 VanDerWaalsContact O-CG 3.27Å; M47-Q51 WeakPolarHBondContact O-CG 3.37Å; M47-Q51 PolarHBondContact O-N 3.34Å; Q51-S78 WeakPolarHBondContact O-CB 3.21Å
52K95.7Very high96.9Very high151 Ų15161.2 Ų61.266%0.65732%0.32SS*.THydrogen-bonded Turntrans-93.93-178.8-60.6166.8-166.4144.50113D48 I50D48-K52 WeakPolarHBondContact O-CD 3.36Å; D48-K52 IonicContact OD1-NZ 3.77Å; D48-K52 PolarHBondContact OD1-NZ 2.9Å; I50-K52 PolarHBondContact O-N 3.48Å; I50-K52 VanDerWaalsContact O-N 3.1Å
53L97.3Very high96.8Very high15 Ų1565 Ų658%0.07933%0.33CS..SBendtrans-87.4124-177.6-170.665.2000110.7V26 F49 I50 K57 V58 T76 C77V26-L53 HydrophobicContact CG1-CD1 3.72Å; V26-L53 HydrophobicContact CG1-CD2 4.05Å; V26-L53 HydrophobicContact CG2-CD2 4.27Å; F49-L53 HydrophobicContact CE1-CD2 4.35Å; F49-L53 PolarHBondContact O-N 3.45Å; I50-L53 HydrophobicContact CD1-CD2 4.03Å; I50-L53 VanDerWaalsContact O-CB 3.3Å; I50-L53 WeakPolarHBondContact O-CB 3.42Å; I50-L53 PolarHBondContact O-N 2.96Å; L53-K57 HydrophobicContact CD1-CB 3.77Å; L53-K57 HydrophobicContact CD1-CG 4.32Å; L53-K57 HydrophobicContact CG-CB 4.28Å; L53-V58 HydrophobicContact CD2-CG2 3.7Å; L53-V58 HydrophobicContact CG-CG2 4.41Å; L53-T76 CarbonylContact O-C 3.59Å; L53-T76 WeakPolarHBondContact O-CA 3.42Å; L53-C77 PolarHBondContact O-N 3.17Å
54P97.9Very high96.8Very high63 Ų6362 Ų6241%0.40933%0.331SS..BIsolated β-bridgetrans-64.9134.7170.1-20.633.2000110.3R56 K57 T75P54-R56 PolarHBondContact O-N 3.11Å; P54-K57 HydrophobicContact CB-CG 4.46Å; P54-K57 WeakPolarHBondContact O-CB 3.39Å; P54-K57 PolarHBondContact O-N 3.34Å; P54-T75 WeakPolarHBondContact CA-O 3.43Å
55V97.1Very high96.7Very high2 Ų259 Ų591%0.01232%0.321CS..G310 helixtrans-53.2-35.8-174.3-63.10000112.3K57 V58 I61 L69 I74 T75 T76 L80V55-K57 PolarHBondContact O-N 3.09Å; V55-V58 WeakPolarHBondContact O-CB 3.3Å; V55-V58 WeakPolarHBondContact O-CG2 3.42Å; V55-V58 PolarHBondContact O-N 3.26Å; V55-I61 HydrophobicContact CB-CD1 3.88Å; V55-I61 HydrophobicContact CB-CG2 4.45Å; V55-I61 HydrophobicContact CG2-CG2 4.33Å; V55-L69 HydrophobicContact CB-CD1 4.41Å; V55-L69 HydrophobicContact CG2-CD1 4.19Å; V55-I74 HydrophobicContact CG1-CG2 4.16Å; V55-T75 PolarHBondContact N-O 2.92Å; V55-T76 VanDerWaalsContact CG1-C 3.47Å; V55-T76 WeakPolarHBondContact CG1-O 3.26Å; V55-L80 HydrophobicContact CG1-CD1 3.76Å; V55-L80 HydrophobicContact CG1-CD2 4.46Å; V55-L80 HydrophobicContact CG1-CG 3.85Å
56R97.4Very high96.7Very high107 Ų10760.6 Ų60.640%0.40433%0.325SS..G310 helixtrans-63.5-19.9-179.7-174.655.3176.1100.614.8115.5P54 V58 I61 E66P54-R56 PolarHBondContact O-N 3.11Å; R56-V58 VanDerWaalsContact C-N 3.25Å; R56-I61 WeakPolarHBondContact CD-O 3.49Å; R56-I61 PolarHBondContact NH1-O 2.67Å; R56-E66 HydrophobicContact CB-CG 4.34Å; R56-E66 WeakPolarHBondContact CB-OE1 3.25Å; R56-E66 VanDerWaalsContact CD-CD 3.44Å; R56-E66 WeakPolarHBondContact CD-OE2 3.24Å; R56-E66 VanDerWaalsContact CG-CD 3.41Å; R56-E66 HydrophobicContact CG-CG 4.49Å; R56-E66 WeakPolarHBondContact CG-OE1 3.03Å; R56-E66 WeakPolarHBondContact CG-OE2 3.47Å; R56-E66 IonicContact NE-OE2 3.93Å; R56-E66 PolarHBondContact NE-OE2 2.68Å; R56-E66 VanDerWaalsContact NE-OE2 3.08Å
57K96.9Very high96.7Very high145 Ų14563.2 Ų63.263%0.6334%0.336SS*.G310 helixtrans-78-11.5175.1-64.3-62-174.9-177.90112.8L53 P54 V55L53-K57 HydrophobicContact CD1-CB 3.77Å; L53-K57 HydrophobicContact CD1-CG 4.32Å; L53-K57 HydrophobicContact CG-CB 4.28Å; P54-K57 HydrophobicContact CB-CG 4.46Å; P54-K57 WeakPolarHBondContact O-CB 3.39Å; P54-K57 PolarHBondContact O-N 3.34Å; V55-K57 PolarHBondContact O-N 3.09Å
58V96.3Very high96.7Very high3 Ų366 Ų662%0.01835%0.35CS..SBendtrans-84.2135.4-178.5-1720000110.9M22 L53 V55 R56 G60 I61 I102M22-V58 HydrophobicContact CG-CG1 3.97Å; M22-V58 HydrophobicContact SD-CG1 4.07Å; L53-V58 HydrophobicContact CD2-CG2 3.7Å; L53-V58 HydrophobicContact CG-CG2 4.41Å; V55-V58 WeakPolarHBondContact O-CB 3.3Å; V55-V58 WeakPolarHBondContact O-CG2 3.42Å; V55-V58 PolarHBondContact O-N 3.26Å; R56-V58 VanDerWaalsContact C-N 3.25Å; V58-G60 PolarHBondContact O-N 2.93Å; V58-I61 HydrophobicContact CB-CD1 4.42Å; V58-I61 PolarHBondContact O-N 3.33Å; V58-I102 HydrophobicContact CB-CD1 4.45Å; V58-I102 HydrophobicContact CB-CG2 4.4Å; V58-I102 HydrophobicContact CG1-CD1 3.62Å; V58-I102 HydrophobicContact CG1-CG1 3.74Å; V58-I102 HydrophobicContact CG1-CG2 3.98Å; V58-I102 HydrophobicContact CG2-CG2 3.89Å
59C93.8Very high96.7Very high86 Ų8662 Ų6258%0.58133%0.328SS*.THydrogen-bonded Turntrans-65.7123176.5-170.70000110.4K25K25-C59 HydrophobicContact CG-CB 4.46Å
60G93.1Very high96.6Very high58 Ų5864 Ų6460%0.59834%0.34SS*.THydrogen-bonded Turntrans116.9-32.9-172.500000112.7V58 G62V58-G60 PolarHBondContact O-N 2.93Å; G60-G62 PolarHBondContact O-N 3.35Å
61I96.7Very high96.7Very high4 Ų468 Ų682%0.02137%0.373CS..  trans-89.899.6-177.8-58.4-173.5000109.8V55 R56 V58 E66 L69 F99 I102V55-I61 HydrophobicContact CB-CD1 3.88Å; V55-I61 HydrophobicContact CB-CG2 4.45Å; V55-I61 HydrophobicContact CG2-CG2 4.33Å; R56-I61 WeakPolarHBondContact CD-O 3.49Å; R56-I61 PolarHBondContact NH1-O 2.67Å; V58-I61 HydrophobicContact CB-CD1 4.42Å; V58-I61 PolarHBondContact O-N 3.33Å; I61-E66 HydrophobicContact CG2-CB 4.37Å; I61-L69 HydrophobicContact CD1-CD1 4.17Å; I61-L69 HydrophobicContact CG2-CD1 4.45Å; I61-F99 HydrophobicContact CD1-CE1 4.41Å; I61-I102 HydrophobicContact CD1-CD1 4.02Å; I61-I102 HydrophobicContact CG1-CD1 4.37Å
62G96.6Very high96.8Very high29 Ų2966 Ų6630%0.29937%0.365SS..  trans-88.9177.7173.700000113.4G60 V64 S65 E66G60-G62 PolarHBondContact O-N 3.35Å; G62-V64 PolarHBondContact O-N 3.21Å; G62-V64 VanDerWaalsContact O-N 3.16Å; G62-S65 PolarHBondContact O-N 2.89Å; G62-E66 WeakPolarHBondContact O-CB 3.08Å; G62-E66 PolarHBondContact O-N 2.88Å
63K96.6Very high96.8Very high148 Ų14861.1 Ų61.164%0.64336%0.358SS*.Hα-helixtrans-49.3-41.5-179.5-76.8-166.7174.5-166.90113.4K67K63-K67 WeakPolarHBondContact O-CB 3.48Å; K63-K67 PolarHBondContact O-N 2.8Å
64V97.2Very high96.9Very high109 Ų10960.4 Ų60.466%0.66135%0.354SS*.Hα-helixtrans-69.6-51.1-177.3-1790000110.9G62 E66 K67 M68G62-V64 PolarHBondContact O-N 3.21Å; G62-V64 VanDerWaalsContact O-N 3.16Å; V64-E66 VanDerWaalsContact C-N 3.28Å; V64-E66 PolarHBondContact O-N 3.16Å; V64-K67 PolarHBondContact O-N 2.87Å; V64-K67 VanDerWaalsContact O-N 3.12Å; V64-M68 HydrophobicContact CG1-SD 4.24Å; V64-M68 WeakPolarHBondContact O-CG 2.89Å; V64-M68 PolarHBondContact O-N 3.08Å
65S96.8Very high96.9Very high41 Ų4161 Ų6129%0.28736%0.357SS..Hα-helixtrans-61.3-37.2176.7-46.70000112G62 M68 L69G62-S65 PolarHBondContact O-N 2.89Å; S65-M68 PolarHBondContact O-N 2.67Å; S65-L69 WeakPolarHBondContact O-CB 3.37Å; S65-L69 WeakPolarHBondContact O-CG 3.29Å; S65-L69 PolarHBondContact O-N 2.65Å
66E97.6Very high96.9Very high54 Ų5462.5 Ų62.525%0.25237%0.366SS..Hα-helixtrans-59.2-50.6170.1167.5177.9-138.100111.7R56 I61 G62 V64 M68 L69 N70R56-E66 HydrophobicContact CB-CG 4.34Å; R56-E66 WeakPolarHBondContact CB-OE1 3.25Å; R56-E66 VanDerWaalsContact CD-CD 3.44Å; R56-E66 WeakPolarHBondContact CD-OE2 3.24Å; R56-E66 VanDerWaalsContact CG-CD 3.41Å; R56-E66 HydrophobicContact CG-CG 4.49Å; R56-E66 WeakPolarHBondContact CG-OE1 3.03Å; R56-E66 WeakPolarHBondContact CG-OE2 3.47Å; R56-E66 IonicContact NE-OE2 3.93Å; R56-E66 PolarHBondContact NE-OE2 2.68Å; R56-E66 VanDerWaalsContact NE-OE2 3.08Å; I61-E66 HydrophobicContact CG2-CB 4.37Å; G62-E66 WeakPolarHBondContact O-CB 3.08Å; G62-E66 PolarHBondContact O-N 2.88Å; V64-E66 VanDerWaalsContact C-N 3.28Å; V64-E66 PolarHBondContact O-N 3.16Å; E66-M68 VanDerWaalsContact C-N 3.34Å; E66-M68 PolarHBondContact O-N 2.83Å; E66-L69 PolarHBondContact O-N 2.91Å; E66-N70 VanDerWaalsContact O-CB 3.29Å; E66-N70 WeakPolarHBondContact O-CB 3.48Å; E66-N70 PolarHBondContact O-N 2.84Å; E66-N70 PolarHBondContact O-ND2 2.82Å; E66-N70 PolarHBondContact O-OD1 3.25Å
67K97.9Very high96.9Very high70 Ų7057.5 Ų57.530%0.30435%0.347SS..Hα-helixtrans-61.5-39.5177.5-170.7172.7177.81790112.3K63 V64 A71 L522 E525K63-K67 WeakPolarHBondContact O-CB 3.48Å; K63-K67 PolarHBondContact O-N 2.8Å; V64-K67 PolarHBondContact O-N 2.87Å; V64-K67 VanDerWaalsContact O-N 3.12Å; K67-A71 WeakPolarHBondContact O-CB 2.92Å; K67-A71 PolarHBondContact O-N 2.92Å; K67-L522 PolarHBondContact NZ-O 3.38Å; K67-E525 IonicContact NZ-OE2 3.05Å; K67-E525 PolarHBondContact NZ-OE2 3.33Å
68M97.6Very high96.9Very high94 Ų9451.6 Ų51.646%0.46332%0.324SS..Hα-helixtrans-65.8-43.8175.8-67.2176.378.100112.7V64 S65 E66 A71 F91V64-M68 HydrophobicContact CG1-SD 4.24Å; V64-M68 WeakPolarHBondContact O-CG 2.89Å; V64-M68 PolarHBondContact O-N 3.08Å; S65-M68 PolarHBondContact O-N 2.67Å; E66-M68 VanDerWaalsContact C-N 3.34Å; E66-M68 PolarHBondContact O-N 2.83Å; M68-A71 PolarHBondContact O-N 2.94Å; M68-F91 HydrophobicContact CB-CZ 4.48Å; M68-F91 HydrophobicContact CE-CE1 3.8Å; M68-F91 HydrophobicContact CE-CZ 4.21Å
69L97.4Very high97Very high0 Ų052.6 Ų52.60%033%0.33CS..Hα-helixtrans-68.3-42.3177.4-72.2172.2000111.2V55 I61 S65 E66 A71 L72 G73 I74 L80 L87 F99V55-L69 HydrophobicContact CB-CD1 4.41Å; V55-L69 HydrophobicContact CG2-CD1 4.19Å; I61-L69 HydrophobicContact CD1-CD1 4.17Å; I61-L69 HydrophobicContact CG2-CD1 4.45Å; S65-L69 WeakPolarHBondContact O-CB 3.37Å; S65-L69 WeakPolarHBondContact O-CG 3.29Å; S65-L69 PolarHBondContact O-N 2.65Å; E66-L69 PolarHBondContact O-N 2.91Å; L69-A71 VanDerWaalsContact C-N 3.26Å; L69-A71 PolarHBondContact O-N 2.84Å; L69-L72 CarbonylContact O-C 3.24Å; L69-L72 WeakPolarHBondContact O-CA 3.11Å; L69-L72 WeakPolarHBondContact O-CB 3.42Å; L69-L72 PolarHBondContact O-N 3.4Å; L69-G73 PolarHBondContact O-N 2.9Å; L69-I74 CarbonylContact C-O 3.6Å; L69-I74 HydrophobicContact CB-CB 4.07Å; L69-I74 HydrophobicContact CB-CG2 4.18Å; L69-I74 HydrophobicContact CD2-CB 4.44Å; L69-I74 HydrophobicContact CD2-CD1 3.92Å; L69-I74 HydrophobicContact CD2-CG2 4.24Å; L69-I74 WeakPolarHBondContact O-CB 3.46Å; L69-I74 PolarHBondContact O-N 2.98Å; L69-L80 HydrophobicContact CD1-CD2 4.17Å; L69-L80 HydrophobicContact CD2-CD2 3.92Å; L69-L87 HydrophobicContact CD2-CD2 3.85Å; L69-F99 HydrophobicContact CD1-CE1 4.27Å; L69-F99 HydrophobicContact CD1-CZ 4.39Å; L69-F99 HydrophobicContact CD2-CE2 4.26Å; L69-F99 HydrophobicContact CD2-CZ 4.34Å
70N97.6Very high97.1Very high70 Ų7048.5 Ų48.537%0.37430%0.302SS..Hα-helixtrans-60-35.4175.2-71-13.7000112.1E66 L72 G73 I74E66-N70 VanDerWaalsContact O-CB 3.29Å; E66-N70 WeakPolarHBondContact O-CB 3.48Å; E66-N70 PolarHBondContact O-N 2.84Å; E66-N70 PolarHBondContact O-ND2 2.82Å; E66-N70 PolarHBondContact O-OD1 3.25Å; N70-L72 PolarHBondContact O-N 3.28Å; N70-G73 WeakPolarHBondContact O-CA 3.35Å; N70-G73 PolarHBondContact O-N 3.29Å; N70-I74 PolarHBondContact N-O 3.11Å; N70-I74 PolarHBondContact OD1-O 2.99Å
71A97.6Very high97.1Very high86 Ų8648.7 Ų48.771%0.71129%0.294SS*.THydrogen-bonded Turntrans-66.7-17.9174.600000113.8K67 M68 L69K67-A71 WeakPolarHBondContact O-CB 2.92Å; K67-A71 PolarHBondContact O-N 2.92Å; M68-A71 PolarHBondContact O-N 2.94Å; L69-A71 VanDerWaalsContact C-N 3.26Å; L69-A71 PolarHBondContact O-N 2.84Å
72L97.1Very high97.1Very high51 Ų5157.2 Ų57.227%0.26733%0.326SS..THydrogen-bonded Turntrans-94.24.8169.1-57.1176000112.3L69 N70 I74 Q83 L86 L87 L90 F91L69-L72 CarbonylContact O-C 3.24Å; L69-L72 WeakPolarHBondContact O-CA 3.11Å; L69-L72 WeakPolarHBondContact O-CB 3.42Å; L69-L72 PolarHBondContact O-N 3.4Å; N70-L72 PolarHBondContact O-N 3.28Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 HydrophobicContact CB-CD1 4.03Å; L72-I74 HydrophobicContact CB-CG1 4.2Å; L72-I74 HydrophobicContact CD1-CD1 4.32Å; L72-Q83 PolarHBondContact O-NE2 3.42Å; L72-Q83 PolarHBondContact O-OE1 3.43Å; L72-L86 HydrophobicContact CD2-CD2 4.49Å; L72-L87 HydrophobicContact CD1-CD2 4Å; L72-L90 HydrophobicContact CD1-CD1 3.83Å; L72-L90 HydrophobicContact CD2-CD1 3.8Å; L72-L90 HydrophobicContact CG-CD1 4.5Å; L72-F91 HydrophobicContact CD1-CE2 3.97Å
73G97.3Very high97Very high49 Ų4958.2 Ų58.251%0.50532%0.323SS..THydrogen-bonded Turntrans76.215-174.200000114.6L69 N70L69-G73 PolarHBondContact O-N 2.9Å; N70-G73 WeakPolarHBondContact O-CA 3.35Å; N70-G73 PolarHBondContact O-N 3.29Å
74I98.1Very high97Very high0 Ų052.4 Ų52.40%030%0.298CS..  trans-95.1106.5-178.2-60.7169.5000109.7V55 L69 N70 L72 D79 L80 Q83 L87V55-I74 HydrophobicContact CG1-CG2 4.16Å; L69-I74 CarbonylContact C-O 3.6Å; L69-I74 HydrophobicContact CB-CB 4.07Å; L69-I74 HydrophobicContact CB-CG2 4.18Å; L69-I74 HydrophobicContact CD2-CB 4.44Å; L69-I74 HydrophobicContact CD2-CD1 3.92Å; L69-I74 HydrophobicContact CD2-CG2 4.24Å; L69-I74 WeakPolarHBondContact O-CB 3.46Å; L69-I74 PolarHBondContact O-N 2.98Å; N70-I74 PolarHBondContact N-O 3.11Å; N70-I74 PolarHBondContact OD1-O 2.99Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 HydrophobicContact CB-CD1 4.03Å; L72-I74 HydrophobicContact CB-CG1 4.2Å; L72-I74 HydrophobicContact CD1-CD1 4.32Å; I74-D79 HydrophobicContact CB-CB 4.19Å; I74-D79 HydrophobicContact CG1-CB 4.3Å; I74-D79 HydrophobicContact CG2-CB 3.95Å; I74-L80 HydrophobicContact CG2-CD2 3.61Å; I74-L80 HydrophobicContact CG2-CG 3.8Å; I74-Q83 HydrophobicContact CD1-CB 3.82Å; I74-Q83 HydrophobicContact CD1-CG 4.2Å; I74-Q83 HydrophobicContact CG1-CB 4.24Å; I74-Q83 VanDerWaalsContact CG1-CD 3.43Å; I74-Q83 HydrophobicContact CG1-CG 4.09Å; I74-L87 HydrophobicContact CD1-CD1 4.14Å; I74-L87 HydrophobicContact CD1-CD2 3.75Å; I74-L87 HydrophobicContact CD1-CG 4.16Å
75T97.6Very high97Very high76 Ų7650.7 Ų50.747%0.46630%0.295SS..  trans-112.9-29.3179680000112.9P54 V55 D79P54-T75 WeakPolarHBondContact CA-O 3.43Å; V55-T75 PolarHBondContact N-O 2.92Å; T75-D79 PolarHBondContact N-OD2 3.36Å; T75-D79 PolarHBondContact OG1-OD2 3.41Å
76T98.1Very high97Very high33 Ų3352.3 Ų52.320%0.20230%0.301CS..BIsolated β-bridgetrans-114.7163.2-179.870.40000112.4L53 V55 S78 D79 L80L53-T76 CarbonylContact O-C 3.59Å; L53-T76 WeakPolarHBondContact O-CA 3.42Å; V55-T76 VanDerWaalsContact CG1-C 3.47Å; V55-T76 WeakPolarHBondContact CG1-O 3.26Å; T76-S78 PolarHBondContact O-N 3.1Å; T76-S78 WeakPolarHBondContact OG1-CB 3.29Å; T76-S78 PolarHBondContact OG1-N 3.16Å; T76-D79 WeakPolarHBondContact CB-OD2 3.38Å; T76-D79 PolarHBondContact N-OD2 3.21Å; T76-D79 PolarHBondContact O-N 2.79Å; T76-D79 VanDerWaalsContact O-N 3.11Å; T76-D79 PolarHBondContact OG1-N 3.07Å; T76-D79 PolarHBondContact OG1-OD2 3.36Å; T76-L80 PolarHBondContact O-N 2.97Å
77C97.2Very high97Very high1 Ų149.8 Ų49.81%0.00729%0.289CS..Hα-helixtrans-70.2-13171.8-56.90000113.3I50 L53 L80 S81 I102I50-C77 HydrophobicContact CG2-CB 3.81Å; I50-C77 WeakPolarHBondContact O-CB 3.28Å; L53-C77 PolarHBondContact O-N 3.17Å; C77-L80 HydrophobicContact CB-CD1 4.36Å; C77-S81 PolarHBondContact O-N 3.04Å; C77-I102 HydrophobicContact CB-CG2 4.38Å
78S97.1Very high97Very high21 Ų2148.7 Ų48.715%0.14729%0.29CS..Hα-helixtrans-68.2-43.4165.3-175.10000110.9Q51 T76 L80 S81 R82Q51-S78 WeakPolarHBondContact O-CB 3.21Å; T76-S78 PolarHBondContact O-N 3.1Å; T76-S78 WeakPolarHBondContact OG1-CB 3.29Å; T76-S78 PolarHBondContact OG1-N 3.16Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.3Å; S78-S81 PolarHBondContact O-N 3.4Å; S78-S81 VanDerWaalsContact O-N 3.08Å; S78-S81 PolarHBondContact O-OG 3.42Å; S78-R82 PolarHBondContact O-N 3.18Å
79D97.3Very high97Very high25 Ų2551.2 Ų51.213%0.13430%0.304CS..Hα-helixtrans-65.4-36.3179.3-50-44.3000111.4I74 T75 T76 S81 R82 Q83I74-D79 HydrophobicContact CB-CB 4.19Å; I74-D79 HydrophobicContact CG1-CB 4.3Å; I74-D79 HydrophobicContact CG2-CB 3.95Å; T75-D79 PolarHBondContact N-OD2 3.36Å; T75-D79 PolarHBondContact OG1-OD2 3.41Å; T76-D79 WeakPolarHBondContact CB-OD2 3.38Å; T76-D79 PolarHBondContact N-OD2 3.21Å; T76-D79 PolarHBondContact O-N 2.79Å; T76-D79 VanDerWaalsContact O-N 3.11Å; T76-D79 PolarHBondContact OG1-N 3.07Å; T76-D79 PolarHBondContact OG1-OD2 3.36Å; D79-S81 PolarHBondContact O-N 2.85Å; D79-R82 PolarHBondContact O-N 3.06Å; D79-R82 IonicContact OD1-NH1 3.4Å; D79-Q83 PolarHBondContact O-N 2.89Å
80L95.9Very high97Very high0 Ų056 Ų560%033%0.33CS..Hα-helixtrans-53.3-50.7169.3-72.3176000111.2V55 L69 I74 T76 C77 S78 R82 Q83 M84 L87 F99 I102V55-L80 HydrophobicContact CG1-CD1 3.76Å; V55-L80 HydrophobicContact CG1-CD2 4.46Å; V55-L80 HydrophobicContact CG1-CG 3.85Å; L69-L80 HydrophobicContact CD1-CD2 4.17Å; L69-L80 HydrophobicContact CD2-CD2 3.92Å; I74-L80 HydrophobicContact CG2-CD2 3.61Å; I74-L80 HydrophobicContact CG2-CG 3.8Å; T76-L80 PolarHBondContact O-N 2.97Å; C77-L80 HydrophobicContact CB-CD1 4.36Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.3Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.38Å; L80-Q83 PolarHBondContact O-N 3.28Å; L80-M84 HydrophobicContact CB-CE 4.5Å; L80-M84 WeakPolarHBondContact O-CE 3.36Å; L80-M84 PolarHBondContact O-N 3.2Å; L80-M84 VanDerWaalsContact O-N 3.17Å; L80-L87 HydrophobicContact CD2-CD1 3.71Å; L80-F99 HydrophobicContact CD2-CB 4.19Å; L80-F99 HydrophobicContact CD2-CD1 4.49Å; L80-F99 HydrophobicContact CD2-CG 4.25Å; L80-I102 HydrophobicContact CD1-CB 4.43Å; L80-I102 HydrophobicContact CD1-CG2 3.83Å
81S93.3Very high97Very high61 Ų6154.5 Ų54.543%0.42732%0.32SS..Hα-helixtrans-61.3-35-179.567.90000113.2C77 S78 D79C77-S81 PolarHBondContact O-N 3.04Å; S78-S81 PolarHBondContact O-N 3.4Å; S78-S81 VanDerWaalsContact O-N 3.08Å; S78-S81 PolarHBondContact O-OG 3.42Å; D79-S81 PolarHBondContact O-N 2.85Å
82R96.5Very high97Very high183 Ų18353.3 Ų53.369%0.69131%0.307SS*.Hα-helixtrans-71.6-39.2-179.2-69.9167171.1174.6-7.2111.9S78 D79 L80S78-R82 PolarHBondContact O-N 3.18Å; D79-R82 PolarHBondContact O-N 3.06Å; D79-R82 IonicContact OD1-NH1 3.4Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.38Å
83Q96.4Very high97Very high51 Ų5157.6 Ų57.624%0.23833%0.325CS..Hα-helixtrans-96.19.5-175.4-61.5-16126.400114.4L72 I74 D79 L80 A85 L86 L87L72-Q83 PolarHBondContact O-NE2 3.42Å; L72-Q83 PolarHBondContact O-OE1 3.43Å; I74-Q83 HydrophobicContact CD1-CB 3.82Å; I74-Q83 HydrophobicContact CD1-CG 4.2Å; I74-Q83 HydrophobicContact CG1-CB 4.24Å; I74-Q83 VanDerWaalsContact CG1-CD 3.43Å; I74-Q83 HydrophobicContact CG1-CG 4.09Å; D79-Q83 PolarHBondContact O-N 2.89Å; L80-Q83 PolarHBondContact O-N 3.28Å; Q83-A85 PolarHBondContact O-N 3.45Å; Q83-A85 VanDerWaalsContact O-N 3.09Å; Q83-L86 WeakPolarHBondContact O-CB 3.23Å; Q83-L86 PolarHBondContact O-N 2.89Å; Q83-L87 PolarHBondContact O-N 3.24Å
84M96Very high97Very high25 Ų2560.6 Ų60.612%0.12333%0.334CS..Hα-helixtrans-55.7-35-171.4-165.459.553.800114.3L80 L87 S88 W96 F99 L100L80-M84 HydrophobicContact CB-CE 4.5Å; L80-M84 WeakPolarHBondContact O-CE 3.36Å; L80-M84 PolarHBondContact O-N 3.2Å; L80-M84 VanDerWaalsContact O-N 3.17Å; M84-L87 HydrophobicContact CE-CD1 4.19Å; M84-L87 PolarHBondContact O-N 2.96Å; M84-L87 HydrophobicContact SD-CB 4.46Å; M84-L87 HydrophobicContact SD-CD1 4.29Å; M84-S88 PolarHBondContact O-N 3.08Å; M84-W96 HydrophobicContact SD-CE3 4.41Å; M84-F99 HydrophobicContact CE-CB 4.2Å; M84-F99 HydrophobicContact SD-CB 4.45Å; M84-L100 VanDerWaalsContact CE-CA 3.49Å; M84-L100 HydrophobicContact CE-CB 3.99Å; M84-L100 HydrophobicContact CE-CD1 4.28Å; M84-L100 HydrophobicContact CG-CB 4.45Å; M84-L100 HydrophobicContact CG-CD1 4.19Å; M84-L100 HydrophobicContact SD-CB 3.74Å; M84-L100 HydrophobicContact SD-CD1 4.43Å
85A96.9Very high96.9Very high73 Ų7362.4 Ų62.460%0.60335%0.346SS*.Hα-helixtrans-62.1-46.5175.100000112Q83 S88 L89Q83-A85 PolarHBondContact O-N 3.45Å; Q83-A85 VanDerWaalsContact O-N 3.09Å; A85-S88 PolarHBondContact O-N 3.26Å; A85-S88 PolarHBondContact O-OG 3.26Å; A85-L89 PolarHBondContact O-N 3.07Å
86L97.4Very high96.9Very high76 Ų7661.6 Ų61.640%0.39834%0.335SS..Hα-helixtrans-63.8-42.5174.9-179.162.4000111.4L72 Q83 S88 L89 L90L72-L86 HydrophobicContact CD2-CD2 4.49Å; Q83-L86 WeakPolarHBondContact O-CB 3.23Å; Q83-L86 PolarHBondContact O-N 2.89Å; L86-S88 PolarHBondContact O-N 3Å; L86-L89 PolarHBondContact O-N 3.06Å; L86-L89 VanDerWaalsContact O-N 3.08Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CG 3.98Å; L86-L90 HydrophobicContact CD2-CD1 4.29Å; L86-L90 HydrophobicContact CG-CD1 3.76Å; L86-L90 HydrophobicContact CG-CG 4.25Å; L86-L90 WeakPolarHBondContact O-CG 3.32Å; L86-L90 PolarHBondContact O-N 3.31Å
87L97.5Very high96.8Very high0 Ų063.4 Ų63.40%034%0.341CS..Hα-helixtrans-59.7-35.4176.1-65.4175.9000112.3L69 L72 I74 L80 Q83 M84 L89 L90 F91 W96 F99L69-L87 HydrophobicContact CD2-CD2 3.85Å; L72-L87 HydrophobicContact CD1-CD2 4Å; I74-L87 HydrophobicContact CD1-CD1 4.14Å; I74-L87 HydrophobicContact CD1-CD2 3.75Å; I74-L87 HydrophobicContact CD1-CG 4.16Å; L80-L87 HydrophobicContact CD2-CD1 3.71Å; Q83-L87 PolarHBondContact O-N 3.24Å; M84-L87 HydrophobicContact CE-CD1 4.19Å; M84-L87 PolarHBondContact O-N 2.96Å; M84-L87 HydrophobicContact SD-CB 4.46Å; M84-L87 HydrophobicContact SD-CD1 4.29Å; L87-L89 PolarHBondContact O-N 3.03Å; L87-L90 PolarHBondContact O-N 3.36Å; L87-F91 HydrophobicContact CB-CD2 4.44Å; L87-F91 HydrophobicContact CD2-CD2 3.76Å; L87-F91 HydrophobicContact CD2-CE2 3.51Å; L87-F91 WeakPolarHBondContact O-CB 3.38Å; L87-F91 PolarHBondContact O-N 3.43Å; L87-W96 HydrophobicContact CB-CB 4.42Å; L87-F99 HydrophobicContact CB-CD2 4.5Å; L87-F99 HydrophobicContact CD1-CB 4.25Å; L87-F99 HydrophobicContact CD1-CD2 4.06Å; L87-F99 HydrophobicContact CD1-CG 4.49Å; L87-F99 HydrophobicContact CD2-CD2 4.33Å
88S97.5Very high96.8Very high48 Ų4866.7 Ų66.734%0.33636%0.356SS..Hα-helixtrans-70.6-17.1177.675.90000114.7M84 A85 L86M84-S88 PolarHBondContact O-N 3.08Å; A85-S88 PolarHBondContact O-N 3.26Å; A85-S88 PolarHBondContact O-OG 3.26Å; L86-S88 PolarHBondContact O-N 3Å
89L97.8Very high96.8Very high146 Ų14666.2 Ų66.276%0.76435%0.351SS*.Hα-helixtrans-95.2-33.7175.3-62.5173.6000112.5A85 L86 L87A85-L89 PolarHBondContact O-N 3.07Å; L86-L89 PolarHBondContact O-N 3.06Å; L86-L89 VanDerWaalsContact O-N 3.08Å; L87-L89 PolarHBondContact O-N 3.03Å
90L97.6Very high96.8Very high101 Ų10167.7 Ų67.753%0.52936%0.359SS..Hα-helixtrans-89.1-24.8-176.1-64.9-178.6000114.5L72 L86 L87L72-L90 HydrophobicContact CD1-CD1 3.83Å; L72-L90 HydrophobicContact CD2-CD1 3.8Å; L72-L90 HydrophobicContact CG-CD1 4.5Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CG 3.98Å; L86-L90 HydrophobicContact CD2-CD1 4.29Å; L86-L90 HydrophobicContact CG-CD1 3.76Å; L86-L90 HydrophobicContact CG-CG 4.25Å; L86-L90 WeakPolarHBondContact O-CG 3.32Å; L86-L90 PolarHBondContact O-N 3.31Å; L87-L90 PolarHBondContact O-N 3.36Å
91F97.2Very high96.9Very high38 Ų3872.1 Ų72.117%0.16738%0.379CS..SBendtrans-118.9156.4-173.2-68-93.3000112.7M68 L72 L87 F99M68-F91 HydrophobicContact CB-CZ 4.48Å; M68-F91 HydrophobicContact CE-CE1 3.8Å; M68-F91 HydrophobicContact CE-CZ 4.21Å; L72-F91 HydrophobicContact CD1-CE2 3.97Å; L87-F91 HydrophobicContact CB-CD2 4.44Å; L87-F91 HydrophobicContact CD2-CD2 3.76Å; L87-F91 HydrophobicContact CD2-CE2 3.51Å; L87-F91 WeakPolarHBondContact O-CB 3.38Å; L87-F91 PolarHBondContact O-N 3.43Å; F91-F99 HydrophobicContact CB-CE2 4.49Å; F91-F99 AromaticContact CD1-CE2 3.93Å; F91-F99 HydrophobicContact CD1-CE2 3.93Å; F91-F99 HydrophobicContact CD1-CZ 4.44Å; F91-F99 HydrophobicContact CD2-CE2 4.13Å; F91-F99 HydrophobicContact CE1-CE2 4.14Å; F91-F99 HydrophobicContact CE1-CZ 4.41Å; F91-F99 HydrophobicContact CE2-CE2 4.33Å; F91-F99 AromaticContact CG-CE2 3.93Å; F91-F99 HydrophobicContact CG-CE2 3.93Å; F91-F99 HydrophobicContact CZ-CE2 4.33Å
92S97.6Very high97.1Very high62 Ų6269.3 Ų69.343%0.43436%0.36SS..  trans-56.8152.6174.968.50000112.1T94 S95 W96S92-T94 PolarHBondContact O-N 3.48Å; S92-T94 VanDerWaalsContact O-N 3.14Å; S92-T94 PolarHBondContact OG-OG1 3.39Å; S92-S95 WeakPolarHBondContact O-CA 3.36Å; S92-S95 WeakPolarHBondContact O-CB 3.49Å; S92-S95 PolarHBondContact O-N 2.63Å; S92-S95 WeakPolarHBondContact OG-CB 3.41Å; S92-S95 PolarHBondContact OG-N 3.04Å; S92-S95 PolarHBondContact OG-OG 2.82Å; S92-W96 PolarHBondContact O-N 3.17Å
93E96.8Very high97.1Very high140 Ų14061 Ų6165%0.65433%0.329SS*.Hα-helixtrans-49.8-42.2177.1-175.1-176.8179.500112.8S95 H97E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.03Å; E93-H97 WeakPolarHBondContact CG-ND1 3.3Å; E93-H97 VanDerWaalsContact O-CB 3.32Å; E93-H97 WeakPolarHBondContact O-CB 3.35Å; E93-H97 PolarHBondContact O-N 3.39Å; E93-H97 PolarHBondContact O-ND1 2.94Å; E93-H97 IonicContact OE1-CE1 2.75Å
94T97.3Very high97.1Very high112 Ų11262.1 Ų62.169%0.68734%0.337SS*.Hα-helixtrans-62.5-33.1175.9470000113.8S92 H98S92-T94 PolarHBondContact O-N 3.48Å; S92-T94 VanDerWaalsContact O-N 3.14Å; S92-T94 PolarHBondContact OG-OG1 3.39Å; T94-H98 WeakPolarHBondContact O-CB 3.22Å; T94-H98 PolarHBondContact O-N 3.47Å
95S97Very high97.2Very high38 Ų3861 Ų6127%0.26633%0.332SS..Hα-helixtrans-84.2-47.3-174.9-600000111.5S92 E93 H98 F99S92-S95 WeakPolarHBondContact O-CA 3.36Å; S92-S95 WeakPolarHBondContact O-CB 3.49Å; S92-S95 PolarHBondContact O-N 2.63Å; S92-S95 WeakPolarHBondContact OG-CB 3.41Å; S92-S95 PolarHBondContact OG-N 3.04Å; S92-S95 PolarHBondContact OG-OG 2.82Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 3.03Å; S95-H98 WeakPolarHBondContact O-CB 3.47Å; S95-H98 PolarHBondContact O-N 2.75Å; S95-F99 WeakPolarHBondContact O-CD2 3.48Å; S95-F99 VanDerWaalsContact O-CG 3.31Å; S95-F99 WeakPolarHBondContact O-CG 3.46Å; S95-F99 PolarHBondContact O-N 2.77Å
96W96.4Very high97.2Very high59 Ų5962.1 Ų62.122%0.22333%0.327CS..Hα-helixtrans-71.2-34.3179.978.5-109.6000112.2M84 L87 S92 H98 F99 L100M84-W96 HydrophobicContact SD-CE3 4.41Å; L87-W96 HydrophobicContact CB-CB 4.42Å; S92-W96 PolarHBondContact O-N 3.17Å; W96-H98 VanDerWaalsContact C-N 3.28Å; W96-H98 PolarHBondContact O-N 2.88Å; W96-F99 PolarHBondContact O-N 3.37Å; W96-L100 HydrophobicContact CZ3-CD2 3.95Å; W96-L100 PolarHBondContact O-N 3.28Å
97H96.9Very high97.1Very high72 Ų7260.8 Ų60.833%0.33332%0.324SS..Hα-helixtrans-61-37.3169.7-81.4113.4000112.2E93 L100 Q101E93-H97 WeakPolarHBondContact CG-ND1 3.3Å; E93-H97 VanDerWaalsContact O-CB 3.32Å; E93-H97 WeakPolarHBondContact O-CB 3.35Å; E93-H97 PolarHBondContact O-N 3.39Å; E93-H97 PolarHBondContact O-ND1 2.94Å; E93-H97 IonicContact OE1-CE1 2.75Å; H97-L100 PolarHBondContact O-N 3.37Å; H97-Q101 WeakPolarHBondContact O-CG 3.26Å; H97-Q101 PolarHBondContact O-N 3.21Å
98H96.9Very high96.9Very high69 Ų6963.5 Ų63.532%0.31934%0.343SS..Hα-helixtrans-65.7-43.6174.5-17949000111.2T94 S95 W96 L100 Q101 I102T94-H98 WeakPolarHBondContact O-CB 3.22Å; T94-H98 PolarHBondContact O-N 3.47Å; S95-H98 WeakPolarHBondContact O-CB 3.47Å; S95-H98 PolarHBondContact O-N 2.75Å; W96-H98 VanDerWaalsContact C-N 3.28Å; W96-H98 PolarHBondContact O-N 2.88Å; H98-L100 VanDerWaalsContact C-N 3.35Å; H98-L100 PolarHBondContact O-N 2.79Å; H98-Q101 PolarHBondContact O-N 2.93Å; H98-I102 VanDerWaalsContact O-CG1 3.26Å; H98-I102 WeakPolarHBondContact O-CG1 3.45Å; H98-I102 PolarHBondContact O-N 3.47Å
99F97.5Very high96.8Very high11 Ų1167 Ų675%0.04836%0.362CS..Hα-helixtrans-61-39.5173.8-61.1-29.4000112.8I61 L69 L80 M84 L87 F91 S95 W96 I102 S103I61-F99 HydrophobicContact CD1-CE1 4.41Å; L69-F99 HydrophobicContact CD1-CE1 4.27Å; L69-F99 HydrophobicContact CD1-CZ 4.39Å; L69-F99 HydrophobicContact CD2-CE2 4.26Å; L69-F99 HydrophobicContact CD2-CZ 4.34Å; L80-F99 HydrophobicContact CD2-CB 4.19Å; L80-F99 HydrophobicContact CD2-CD1 4.49Å; L80-F99 HydrophobicContact CD2-CG 4.25Å; M84-F99 HydrophobicContact CE-CB 4.2Å; M84-F99 HydrophobicContact SD-CB 4.45Å; L87-F99 HydrophobicContact CB-CD2 4.5Å; L87-F99 HydrophobicContact CD1-CB 4.25Å; L87-F99 HydrophobicContact CD1-CD2 4.06Å; L87-F99 HydrophobicContact CD1-CG 4.49Å; L87-F99 HydrophobicContact CD2-CD2 4.33Å; F91-F99 HydrophobicContact CB-CE2 4.49Å; F91-F99 AromaticContact CD1-CE2 3.93Å; F91-F99 HydrophobicContact CD1-CE2 3.93Å; F91-F99 HydrophobicContact CD1-CZ 4.44Å; F91-F99 HydrophobicContact CD2-CE2 4.13Å; F91-F99 HydrophobicContact CE1-CE2 4.14Å; F91-F99 HydrophobicContact CE1-CZ 4.41Å; F91-F99 HydrophobicContact CE2-CE2 4.33Å; F91-F99 AromaticContact CG-CE2 3.93Å; F91-F99 HydrophobicContact CG-CE2 3.93Å; F91-F99 HydrophobicContact CZ-CE2 4.33Å; S95-F99 WeakPolarHBondContact O-CD2 3.48Å; S95-F99 VanDerWaalsContact O-CG 3.31Å; S95-F99 WeakPolarHBondContact O-CG 3.46Å; S95-F99 PolarHBondContact O-N 2.77Å; W96-F99 PolarHBondContact O-N 3.37Å; F99-I102 WeakPolarHBondContact O-CB 3.39Å; F99-I102 PolarHBondContact O-N 3.44Å; F99-S103 PolarHBondContact O-N 3.34Å; F99-S103 PolarHBondContact O-OG 2.62Å
100L97.2Very high96.7Very high56 Ų5666.1 Ų66.129%0.29335%0.354SS..Hα-helixtrans-65.4-42.3175.6179.256.3000112.4M84 W96 H97 H98 I102 S103 L104M84-L100 VanDerWaalsContact CE-CA 3.49Å; M84-L100 HydrophobicContact CE-CB 3.99Å; M84-L100 HydrophobicContact CE-CD1 4.28Å; M84-L100 HydrophobicContact CG-CB 4.45Å; M84-L100 HydrophobicContact CG-CD1 4.19Å; M84-L100 HydrophobicContact SD-CB 3.74Å; M84-L100 HydrophobicContact SD-CD1 4.43Å; W96-L100 HydrophobicContact CZ3-CD2 3.95Å; W96-L100 PolarHBondContact O-N 3.28Å; H97-L100 PolarHBondContact O-N 3.37Å; H98-L100 VanDerWaalsContact C-N 3.35Å; H98-L100 PolarHBondContact O-N 2.79Å; L100-I102 VanDerWaalsContact C-N 3.31Å; L100-I102 PolarHBondContact O-N 2.85Å; L100-S103 PolarHBondContact O-N 2.99Å; L100-S103 PolarHBondContact O-OG 3.32Å; L100-L104 HydrophobicContact CD1-CD1 3.71Å; L100-L104 HydrophobicContact CD1-CG 4.04Å; L100-L104 HydrophobicContact CG-CD1 4.07Å; L100-L104 WeakPolarHBondContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CG 3.28Å; L100-L104 PolarHBondContact O-N 3.44Å; L100-L104 VanDerWaalsContact O-N 3.11Å
101Q97.1Very high96.4Very high93 Ų9366.9 Ų66.944%0.43536%0.358SS..Hα-helixtrans-59.3-45.1172.7-73.5174.85.600110.7H97 H98 L104 G105 L106H97-Q101 WeakPolarHBondContact O-CG 3.26Å; H97-Q101 PolarHBondContact O-N 3.21Å; H98-Q101 PolarHBondContact O-N 2.93Å; Q101-L104 PolarHBondContact O-N 3.31Å; Q101-G105 PolarHBondContact O-N 2.78Å; Q101-G105 VanDerWaalsContact O-N 3.13Å; Q101-L106 HydrophobicContact CB-CB 4.34Å; Q101-L106 PolarHBondContact O-N 2.84Å
102I97.3Very high95.7Very high2 Ų268 Ų681%0.0137%0.369CS..Hα-helixtrans-60.8-49.4177.7-69169.6000111.6V58 I61 C77 L80 H98 F99 L100 L104 G105V58-I102 HydrophobicContact CB-CD1 4.45Å; V58-I102 HydrophobicContact CB-CG2 4.4Å; V58-I102 HydrophobicContact CG1-CD1 3.62Å; V58-I102 HydrophobicContact CG1-CG1 3.74Å; V58-I102 HydrophobicContact CG1-CG2 3.98Å; V58-I102 HydrophobicContact CG2-CG2 3.89Å; I61-I102 HydrophobicContact CD1-CD1 4.02Å; I61-I102 HydrophobicContact CG1-CD1 4.37Å; C77-I102 HydrophobicContact CB-CG2 4.38Å; L80-I102 HydrophobicContact CD1-CB 4.43Å; L80-I102 HydrophobicContact CD1-CG2 3.83Å; H98-I102 VanDerWaalsContact O-CG1 3.26Å; H98-I102 WeakPolarHBondContact O-CG1 3.45Å; H98-I102 PolarHBondContact O-N 3.47Å; F99-I102 WeakPolarHBondContact O-CB 3.39Å; F99-I102 PolarHBondContact O-N 3.44Å; L100-I102 VanDerWaalsContact C-N 3.31Å; L100-I102 PolarHBondContact O-N 2.85Å; I102-L104 PolarHBondContact O-N 2.96Å; I102-G105 PolarHBondContact O-N 3.25Å
103S96.8Very high94.9Very high8 Ų875.8 Ų75.86%0.05639%0.389CS..Hα-helixtrans-67.2-23.1-177.368.10000113.5F99 L100F99-S103 PolarHBondContact O-N 3.34Å; F99-S103 PolarHBondContact O-OG 2.62Å; L100-S103 PolarHBondContact O-N 2.99Å; L100-S103 PolarHBondContact O-OG 3.32Å
104L96.8Very high93.9Very high75 Ų7577.6 Ų77.639%0.39340%0.397SS..THydrogen-bonded Turntrans-91.60172.6-64.3174.9000113.5M47 L100 Q101 I102 L106M47-L104 HydrophobicContact CE-CD2 4.47Å; M47-L104 WeakPolarHBondContact CE-O 3.46Å; L100-L104 HydrophobicContact CD1-CD1 3.71Å; L100-L104 HydrophobicContact CD1-CG 4.04Å; L100-L104 HydrophobicContact CG-CD1 4.07Å; L100-L104 WeakPolarHBondContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CG 3.28Å; L100-L104 PolarHBondContact O-N 3.44Å; L100-L104 VanDerWaalsContact O-N 3.11Å; Q101-L104 PolarHBondContact O-N 3.31Å; I102-L104 PolarHBondContact O-N 2.96Å; L104-L106 HydrophobicContact CB-CD1 3.85Å; L104-L106 HydrophobicContact CB-CG 3.8Å; L104-L106 HydrophobicContact CD1-CD1 4.02Å; L104-L106 PolarHBondContact O-N 3.46Å
105G97.1Very high93.2Very high2 Ų278.8 Ų78.82%0.02140%0.395CS..THydrogen-bonded Turntrans69.915.6-176.200000114.9N20 L23 Q101 I102N20-G105 PolarHBondContact ND2-O 3.19Å; L23-G105 WeakPolarHBondContact CD1-O 3.46Å; Q101-G105 PolarHBondContact O-N 2.78Å; Q101-G105 VanDerWaalsContact O-N 3.13Å; I102-G105 PolarHBondContact O-N 3.25Å
106L96.9Very high92.8Very high96 Ų9684.2 Ų84.250%0.50342%0.416SS..  trans-88.1146.1-175.4-58.7176.9000112.2Q101 L104Q101-L106 HydrophobicContact CB-CB 4.34Å; Q101-L106 PolarHBondContact O-N 2.84Å; L104-L106 HydrophobicContact CB-CD1 3.85Å; L104-L106 HydrophobicContact CB-CG 3.8Å; L104-L106 HydrophobicContact CD1-CD1 4.02Å; L104-L106 PolarHBondContact O-N 3.46Å
107S95.6Very high92.6Very high49 Ų4987.2 Ų87.234%0.34343%0.427SS..  trans-168.8-177.1170.7-1650000109.3N20 M22 T109N20-S107 WeakPolarHBondContact OD1-CB 3.46Å; M22-S107 WeakPolarHBondContact CB-OG 3.47Å; S107-T109 PolarHBondContact O-N 3.31Å
108S94.3Very high92.6Very high57 Ų5790.8 Ų90.840%0.39944%0.442SS..  trans-60.4129.3176.3-169.40000111.8N20 M21 H110N20-S108 WeakPolarHBondContact CB-O 3.33Å; M21-S108 WeakPolarHBondContact CG-O 3.31Å; M21-S108 PolarHBondContact N-O 3.09Å; S108-H110 PolarHBondContact OG-N 3.31Å; S108-H110 VanDerWaalsContact OG-N 3.1Å; S108-H110 PolarHBondContact OG-O 3.42Å
109T95.9Very high92.6Very high120 Ų12089.1 Ų89.174%0.73644%0.438SS*.SBendtrans-89.2-11.1166.955.90000111.9N20 S107N20-T109 HydrophobicContact CB-CG2 4.21Å; S107-T109 PolarHBondContact O-N 3.31Å
110H93.9Very high92.6Very high128 Ų12889 Ų8959%0.59344%0.437SS*.SBendtrans-108.9128.2-178.4176.3-90.7000111.3S108 P112S108-H110 PolarHBondContact OG-N 3.31Å; S108-H110 VanDerWaalsContact OG-N 3.1Å; S108-H110 PolarHBondContact OG-O 3.42Å; H110-P112 WeakPolarHBondContact O-CD 3.31Å
111I91.3Very high92.6Very high117 Ų11789.4 Ų89.460%0.645%0.445SS*.  trans-91.6112.3175.1-58.5173000108.3M21 R113M21-I111 HydrophobicContact CE-CG1 4.32Å; M21-I111 HydrophobicContact CG-CG1 4.21Å; M21-I111 HydrophobicContact SD-CG1 3.91Å; I111-R113 PolarHBondContact O-N 3.49Å
112P84.2Confident92.7Very high63 Ų6386.3 Ų86.341%0.40943%0.433SS..  trans-62.9129172.427.7-33.3000109.5H110H110-P112 WeakPolarHBondContact O-CD 3.31Å
113R80Confident92.7Very high225 Ų22590.4 Ų90.485%0.84945%0.452SS*.SBendtrans-83.1-29.3-176.4-65.8-171.5178.9-1640.7113.5I111I111-R113 PolarHBondContact O-N 3.49Å
114H76.6Confident92.8Very high178 Ų17894.1 Ų94.182%0.82446%0.464SS*.  trans-142.6122.1179.4-54-71.5000108.6
115E82.4Confident92.9Very high136 Ų13695.3 Ų95.364%0.63648%0.475SS*.  trans-112.7138.6160.2-79.9-165.5-141.500108K118E115-K118 IonicContact OE2-NZ 3.82Å; E115-K118 PolarHBondContact OE2-NZ 3.44Å
116E87.9Confident92.9Very high153 Ų15397.1 Ų97.172%0.71548%0.483SS*.  trans-67.9134.7172-65.4-176.2179.500110.1K118E116-K118 PolarHBondContact O-N 3.2Å
117R93.1Very high92.9Very high121 Ų121101.9 Ų101.946%0.45750%0.499SS..  trans-60.5134.4175.3-171.8-172.2-67.7-118.4-7.6108.8S119 E153 F220R117-S119 WeakPolarHBondContact CD-O 3.49Å; R117-S119 VanDerWaalsContact CG-O 3.29Å; R117-S119 WeakPolarHBondContact CG-O 3.44Å; R117-E153 VanDerWaalsContact CZ-CD 3.48Å; R117-E153 IonicContact CZ-OE1 2.91Å; R117-E153 IonicContact CZ-OE2 3.08Å; R117-E153 IonicContact NE-OE1 2.81Å; R117-E153 IonicContact NE-OE2 3.52Å; R117-E153 PolarHBondContact NE-OE2 2.93Å; R117-E153 IonicContact NH1-OE1 2.65Å; R117-E153 IonicContact NH2-OE1 2.75Å; R117-E153 PolarHBondContact NH2-OE1 2.95Å; R117-E153 IonicContact NH2-OE2 2.89Å; R117-E153 PolarHBondContact NH2-OE2 3.02Å; R117-F220 HydrophobicContact CB-CE2 4.42Å; R117-F220 HydrophobicContact CG-CE2 4.1Å; R117-F220 VanDerWaalsContact O-CD2 3.26Å; R117-F220 WeakPolarHBondContact O-CD2 3.49Å
118K95Very high93Very high148 Ų148104 Ų10464%0.64350%0.504SS*.  trans-98.8-20-177-65.4163.2-168.2152.10113.7E115 E116E115-K118 IonicContact OE2-NZ 3.82Å; E115-K118 PolarHBondContact OE2-NZ 3.44Å; E116-K118 PolarHBondContact O-N 3.2Å
119S97.2Very high93.1Very high34 Ų34102.6 Ų102.624%0.23849%0.492CS..EExtended strand (participates in β ladder)trans-162.8158.9173.857.50000112R117 R216 I217 F220R117-S119 WeakPolarHBondContact CD-O 3.49Å; R117-S119 VanDerWaalsContact CG-O 3.29Å; R117-S119 WeakPolarHBondContact CG-O 3.44Å; S119-R216 VanDerWaalsContact CB-NE 3.34Å; S119-R216 VanDerWaalsContact CB-NH2 3.28Å; S119-R216 PolarHBondContact OG-NE 3.23Å; S119-R216 VanDerWaalsContact OG-NE 3.15Å; S119-R216 PolarHBondContact OG-NH2 2.93Å; S119-I217 CarbonylContact C-O 3.56Å; S119-I217 WeakPolarHBondContact CA-O 3.32Å; S119-I217 WeakPolarHBondContact CB-O 3.45Å; S119-F220 VanDerWaalsContact CA-CE2 3.48Å
120M97.9Very high93.1Very high7 Ų798.7 Ų98.73%0.03447%0.469CS..EExtended strand (participates in β ladder)trans-131.7148.4172.7-176.3-176.6-88.200109L146 D149 L150 E153 L155 R216 I217 F220M120-L146 HydrophobicContact CB-CD1 4.26Å; M120-L146 HydrophobicContact CG-CD1 3.77Å; M120-L146 HydrophobicContact SD-CD1 4.18Å; M120-D149 HydrophobicContact CE-CB 4.27Å; M120-D149 VanDerWaalsContact SD-C 3.52Å; M120-D149 HydrophobicContact SD-CB 3.62Å; M120-L150 HydrophobicContact CB-CD2 4.23Å; M120-L150 HydrophobicContact SD-CB 4.42Å; M120-L150 HydrophobicContact SD-CD2 3.58Å; M120-L150 VanDerWaalsContact SD-CD2 3.58Å; M120-L150 HydrophobicContact SD-CG 3.77Å; M120-L150 PolarHBondContact SD-N 3.41Å; M120-E153 HydrophobicContact CE-CB 4.14Å; M120-E153 VanDerWaalsContact CE-CD 3.41Å; M120-E153 HydrophobicContact CE-CG 4.06Å; M120-E153 VanDerWaalsContact CE-OE1 3.26Å; M120-E153 WeakPolarHBondContact CE-OE1 3.4Å; M120-L155 HydrophobicContact CE-CD1 4.1Å; M120-R216 CarbonylContact O-C 3.51Å; M120-R216 WeakPolarHBondContact O-CA 3.36Å; M120-I217 HydrophobicContact CB-CG2 4.25Å; M120-I217 PolarHBondContact N-O 3.16Å; M120-I217 PolarHBondContact O-N 3.36Å; M120-F220 HydrophobicContact CB-CZ 3.83Å
121S98Very high93.2Very high65 Ų6598.2 Ų98.246%0.45547%0.465SS..EExtended strand (participates in β ladder)trans-162.4145.3-173.454.90000112.8V215S121-V215 VanDerWaalsContact CA-O 3.26Å; S121-V215 WeakPolarHBondContact CA-O 3.21Å; S121-V215 WeakPolarHBondContact CB-O 3.26Å
122T98.3Very high93.5Very high28 Ų2895.7 Ų95.717%0.17246%0.456CS..EExtended strand (participates in β ladder)trans-115142.6164.8-178.20000109.5L142 D145 L146 G214 V215T122-L142 HydrophobicContact CG2-CB 3.97Å; T122-L142 HydrophobicContact CG2-CD2 3.81Å; T122-L142 WeakPolarHBondContact CG2-O 3.16Å; T122-D145 HydrophobicContact CG2-CB 3.99Å; T122-L146 HydrophobicContact CG2-CB 4.12Å; T122-G214 CarbonylContact O-C 3.55Å; T122-G214 WeakPolarHBondContact O-CA 3.41Å; T122-V215 PolarHBondContact N-O 3.44Å; T122-V215 PolarHBondContact O-N 2.93Å
123E98.3Very high94.1Very high89 Ų89100.5 Ų100.542%0.41647%0.473SS..EExtended strand (participates in β ladder)trans-146140.3171.567.7-176.8-114.300111.1K163 L212 M213E123-K163 IonicContact OE1-NZ 2.62Å; E123-K163 PolarHBondContact OE1-NZ 3.32Å; E123-K163 WeakPolarHBondContact OE2-CD 3.41Å; E123-K163 WeakPolarHBondContact OE2-CE 3Å; E123-K163 IonicContact OE2-NZ 3.1Å; E123-K163 PolarHBondContact OE2-NZ 3.39Å; E123-L212 HydrophobicContact CB-CD2 4.43Å; E123-M213 WeakPolarHBondContact CA-O 3.42Å
124R98.4Very high94.9Very high85 Ų8593.3 Ų93.332%0.32145%0.45SS..EExtended strand (participates in β ladder)trans-127.6133-172.4-153.7-178.1-63.5168.2-1.7109.1F126 E141 L142 D145 L212 M213R124-F126 VanDerWaalsContact O-CD1 3.26Å; R124-F126 WeakPolarHBondContact O-CD1 3.5Å; R124-F126 VanDerWaalsContact O-CE1 3.23Å; R124-F126 WeakPolarHBondContact O-CE1 3.36Å; R124-E141 IonicContact CZ-OE2 2.67Å; R124-E141 IonicContact NH1-OE2 3.53Å; R124-E141 PolarHBondContact NH1-OE2 3.22Å; R124-E141 IonicContact NH2-OE2 3.43Å; R124-L142 HydrophobicContact CB-CD2 3.98Å; R124-D145 IonicContact CZ-OD2 2.79Å; R124-D145 IonicContact NH2-OD1 2.88Å; R124-D145 IonicContact NH2-OD2 3.36Å; R124-D145 PolarHBondContact NH2-OD2 3.24Å; R124-L212 VanDerWaalsContact O-CA 3.29Å; R124-L212 WeakPolarHBondContact O-CA 3.26Å; R124-M213 PolarHBondContact N-O 2.85Å; R124-M213 PolarHBondContact O-N 2.81Å
125T98.3Very high95.9Very high100 Ų10084.9 Ų84.961%0.61341%0.411SS*.EExtended strand (participates in β ladder)trans-99.3138.8173.8-57.40000109.1R211T125-R211 CarbonylContact C-O 3.56Å; T125-R211 WeakPolarHBondContact CA-O 3.14Å; T125-R211 WeakPolarHBondContact CG2-O 3.3Å
126F97.6Very high96.7Very high41 Ų4180.7 Ų80.718%0.1839%0.392CS..EExtended strand (participates in β ladder)trans-143166.7-171.238.8-93.4000112.2R124 L129 L138 L210 R211 L212 M213R124-F126 VanDerWaalsContact O-CD1 3.26Å; R124-F126 WeakPolarHBondContact O-CD1 3.5Å; R124-F126 VanDerWaalsContact O-CE1 3.23Å; R124-F126 WeakPolarHBondContact O-CE1 3.36Å; F126-L129 HydrophobicContact CD2-CB 3.74Å; F126-L129 HydrophobicContact CD2-CD1 4.21Å; F126-L129 HydrophobicContact CE2-CB 3.72Å; F126-L129 HydrophobicContact CE2-CD1 4.28Å; F126-L138 HydrophobicContact CD1-CD2 3.54Å; F126-L138 HydrophobicContact CE1-CD2 3.23Å; F126-L138 HydrophobicContact CE2-CD2 4.41Å; F126-L138 HydrophobicContact CG-CD2 4.25Å; F126-L138 HydrophobicContact CZ-CD2 3.73Å; F126-L210 HydrophobicContact CE2-CB 3.76Å; F126-L210 HydrophobicContact CZ-CB 4.04Å; F126-R211 VanDerWaalsContact CE2-C 3.49Å; F126-R211 PolarHBondContact N-O 3.12Å; F126-L212 VanDerWaalsContact CZ-C 3.44Å; F126-M213 HydrophobicContact CE1-CB 3.8Å; F126-M213 HydrophobicContact CZ-CB 3.85Å
127K96.8Very high97.2Very high195 Ų19576.7 Ų76.785%0.84838%0.381SS*.EExtended strand (participates in β ladder)trans-63.3152.6163.5-65.2-177.4179.6-179.50109.1L129K127-L129 PolarHBondContact O-N 2.9Å
128E97.5Very high97.4Very high95 Ų9571.5 Ų71.544%0.44436%0.362SS..EExtended strand (participates in β ladder)trans-44129.3-175.4-178.3-178.615200113.6V167 R209 L210E128-V167 HydrophobicContact CB-CG1 4.04Å; E128-V167 HydrophobicContact CG-CG1 3.67Å; E128-R209 IonicContact OE1-CZ 2.92Å; E128-R209 IonicContact OE1-NE 2.68Å; E128-R209 PolarHBondContact OE1-NE 2.76Å; E128-R209 IonicContact OE1-NH2 2.61Å; E128-R209 PolarHBondContact OE1-NH2 3.41Å; E128-R209 IonicContact OE2-CZ 2.97Å; E128-R209 IonicContact OE2-NE 2.76Å; E128-R209 IonicContact OE2-NH2 3.86Å; E128-R209 PolarHBondContact OE2-NH2 2.84Å; E128-L210 WeakPolarHBondContact CA-O 2.89Å
129L96.6Very high97.6Very high27 Ų2764.4 Ų64.414%0.14133%0.332CS..EExtended strand (participates in β ladder)trans-135.5110.6-175.8-166.1170.7000109.1F126 K127 E134 Q135 L138 L210F126-L129 HydrophobicContact CD2-CB 3.74Å; F126-L129 HydrophobicContact CD2-CD1 4.21Å; F126-L129 HydrophobicContact CE2-CB 3.72Å; F126-L129 HydrophobicContact CE2-CD1 4.28Å; K127-L129 PolarHBondContact O-N 2.9Å; L129-E134 HydrophobicContact CD1-CB 4.36Å; L129-E134 HydrophobicContact CD2-CB 3.56Å; L129-E134 HydrophobicContact CG-CB 4.03Å; L129-Q135 HydrophobicContact CD2-CB 4.26Å; L129-Q135 HydrophobicContact CD2-CG 3.32Å; L129-Q135 PolarHBondContact O-NE2 2.78Å; L129-L138 HydrophobicContact CD1-CD2 4.06Å; L129-L210 PolarHBondContact N-O 2.96Å; L129-L210 PolarHBondContact O-N 2.94Å; L129-L210 VanDerWaalsContact O-N 3.1Å
130S96.1Very high97.7Very high38 Ų3866.2 Ų66.227%0.26633%0.333SS..  trans-123.9-7.4-165.455.90000115.2
131K96.8Very high97.7Very high118 Ų11869.4 Ų69.451%0.51335%0.348SS..  trans-86.3129.5176.9-55-176.3-153.4146.20110.6E133 E134 Q135K131-E133 VanDerWaalsContact C-N 3.26Å; K131-E133 PolarHBondContact O-N 2.6Å; K131-E134 HydrophobicContact CB-CB 4.3Å; K131-E134 HydrophobicContact CB-CG 4.12Å; K131-E134 HydrophobicContact CD-CG 4.36Å; K131-E134 WeakPolarHBondContact CD-OE1 3.38Å; K131-E134 WeakPolarHBondContact CE-OE1 3.16Å; K131-E134 WeakPolarHBondContact CG-OE2 3.27Å; K131-E134 IonicContact NZ-OE1 2.66Å; K131-E134 PolarHBondContact NZ-OE1 2.87Å; K131-E134 IonicContact NZ-OE2 3.82Å; K131-E134 PolarHBondContact O-N 2.95Å; K131-Q135 WeakPolarHBondContact O-CG 3.4Å; K131-Q135 PolarHBondContact O-N 2.93Å
132P96.2Very high97.7Very high63 Ų6366.3 Ų66.341%0.40933%0.326SS..Hα-helixtrans-54.8-35.6178.3-3137.8000114.8Q135 L136 I200P132-Q135 PolarHBondContact O-N 3.44Å; P132-L136 WeakPolarHBondContact O-CB 3.38Å; P132-L136 VanDerWaalsContact O-CG 3.23Å; P132-L136 WeakPolarHBondContact O-CG 3.2Å; P132-L136 PolarHBondContact O-N 3.28Å; P132-I200 HydrophobicContact CB-CD1 4.2Å; P132-I200 HydrophobicContact CG-CG2 4.16Å
133E96.7Very high97.7Very high164 Ų16465 Ų6577%0.76632%0.318SS*.Hα-helixtrans-66.6-43.5179.4-63.3178.1171.700112.1K131 Q135 L136 S137K131-E133 VanDerWaalsContact C-N 3.26Å; K131-E133 PolarHBondContact O-N 2.6Å; E133-Q135 VanDerWaalsContact C-N 3.33Å; E133-L136 PolarHBondContact O-N 3.22Å; E133-S137 PolarHBondContact O-N 3.33Å
134E97.5Very high97.8Very high75 Ų7563.7 Ų63.735%0.3531%0.314SS..Hα-helixtrans-66.9-36.5175.6-65.1171.316900111L129 K131 S137 L138L129-E134 HydrophobicContact CD1-CB 4.36Å; L129-E134 HydrophobicContact CD2-CB 3.56Å; L129-E134 HydrophobicContact CG-CB 4.03Å; K131-E134 HydrophobicContact CB-CB 4.3Å; K131-E134 HydrophobicContact CB-CG 4.12Å; K131-E134 HydrophobicContact CD-CG 4.36Å; K131-E134 WeakPolarHBondContact CD-OE1 3.38Å; K131-E134 WeakPolarHBondContact CE-OE1 3.16Å; K131-E134 WeakPolarHBondContact CG-OE2 3.27Å; K131-E134 IonicContact NZ-OE1 2.66Å; K131-E134 PolarHBondContact NZ-OE1 2.87Å; K131-E134 IonicContact NZ-OE2 3.82Å; K131-E134 PolarHBondContact O-N 2.95Å; E134-S137 PolarHBondContact O-N 2.98Å; E134-L138 PolarHBondContact O-N 2.75Å
135Q97.9Very high97.8Very high1 Ų162.8 Ų62.81%0.00532%0.315CS..Hα-helixtrans-65.3-41.1175.7-69.7174.8-3.400111.6L129 K131 P132 E133 C139 L196 L208 L210 M213L129-Q135 HydrophobicContact CD2-CB 4.26Å; L129-Q135 HydrophobicContact CD2-CG 3.32Å; L129-Q135 PolarHBondContact O-NE2 2.78Å; K131-Q135 WeakPolarHBondContact O-CG 3.4Å; K131-Q135 PolarHBondContact O-N 2.93Å; P132-Q135 PolarHBondContact O-N 3.44Å; E133-Q135 VanDerWaalsContact C-N 3.33Å; Q135-C139 WeakPolarHBondContact O-CB 3.42Å; Q135-C139 PolarHBondContact O-N 3.34Å; Q135-L196 HydrophobicContact CB-CD2 4.18Å; Q135-L208 PolarHBondContact NE2-O 3.41Å; Q135-L210 HydrophobicContact CG-CD1 4.21Å; Q135-M213 HydrophobicContact CB-CE 4.1Å; Q135-M213 HydrophobicContact CG-CE 4.48Å
136L98.1Very high97.8Very high47 Ų4758 Ų5825%0.24629%0.286CS..Hα-helixtrans-69.6-37176.2-72167.6000112.2P132 E133 C139 R140 F189 K193 L196P132-L136 WeakPolarHBondContact O-CB 3.38Å; P132-L136 VanDerWaalsContact O-CG 3.23Å; P132-L136 WeakPolarHBondContact O-CG 3.2Å; P132-L136 PolarHBondContact O-N 3.28Å; E133-L136 PolarHBondContact O-N 3.22Å; L136-C139 PolarHBondContact O-N 2.65Å; L136-R140 PolarHBondContact O-N 2.81Å; L136-F189 WeakPolarHBondContact O-CE2 3.43Å; L136-K193 HydrophobicContact CD2-CB 4.45Å; L136-K193 HydrophobicContact CD2-CG 3.77Å; L136-L196 HydrophobicContact CD2-CD2 4.16Å
137S98.4Very high97.8Very high69 Ų6956.8 Ų56.848%0.48328%0.283SS..Hα-helixtrans-60.5-53.1173-170.40000111.3E133 E134 C139 R140 E141E133-S137 PolarHBondContact O-N 3.33Å; E134-S137 PolarHBondContact O-N 2.98Å; S137-C139 VanDerWaalsContact C-N 3.29Å; S137-C139 PolarHBondContact O-N 3.47Å; S137-R140 WeakPolarHBondContact O-CA 3.4Å; S137-R140 WeakPolarHBondContact O-CB 3.44Å; S137-R140 PolarHBondContact O-N 3.31Å; S137-E141 PolarHBondContact O-N 2.91Å
138L98.4Very high97.9Very high12 Ų1253 Ų536%0.06327%0.269CS..Hα-helixtrans-64.6-34.4179.3-177.959000112.2F126 L129 E134 R140 E141 L142 M213F126-L138 HydrophobicContact CD1-CD2 3.54Å; F126-L138 HydrophobicContact CE1-CD2 3.23Å; F126-L138 HydrophobicContact CE2-CD2 4.41Å; F126-L138 HydrophobicContact CG-CD2 4.25Å; F126-L138 HydrophobicContact CZ-CD2 3.73Å; L129-L138 HydrophobicContact CD1-CD2 4.06Å; E134-L138 PolarHBondContact O-N 2.75Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.43Å; L138-E141 HydrophobicContact CD1-CB 4.49Å; L138-E141 PolarHBondContact O-N 2.95Å; L138-L142 HydrophobicContact CD1-CD1 4.34Å; L138-L142 HydrophobicContact CD1-CG 4.29Å; L138-L142 HydrophobicContact CG-CD1 4.09Å; L138-L142 HydrophobicContact CG-CG 4.5Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.34Å; L138-L142 PolarHBondContact O-N 2.94Å; L138-M213 HydrophobicContact CD2-CB 4.47Å
139C98.6Very high97.9Very high0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-61-39.1172.6-171.80000111.7Q135 L136 S137 C143 F189 L196 M213Q135-C139 WeakPolarHBondContact O-CB 3.42Å; Q135-C139 PolarHBondContact O-N 3.34Å; L136-C139 PolarHBondContact O-N 2.65Å; S137-C139 VanDerWaalsContact C-N 3.29Å; S137-C139 PolarHBondContact O-N 3.47Å; C139-C143 PolarHBondContact O-N 2.83Å; C139-C143 VanDerWaalsContact O-N 3.16Å; C139-C143 PolarHBondContact O-SG 2.88Å; C139-F189 HydrophobicContact CB-CE2 4.22Å; C139-L196 HydrophobicContact CB-CD2 3.66Å; C139-M213 HydrophobicContact CB-SD 3.68Å
140R98.6Very high97.9Very high72 Ų7250.3 Ų50.327%0.27226%0.258SS..Hα-helixtrans-65.9-50.4172.8169.9147.2-83.8-91.415.8111.7L136 S137 L138 L142 C143 D144 E186 F189L136-R140 PolarHBondContact O-N 2.81Å; S137-R140 WeakPolarHBondContact O-CA 3.4Å; S137-R140 WeakPolarHBondContact O-CB 3.44Å; S137-R140 PolarHBondContact O-N 3.31Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.43Å; R140-L142 PolarHBondContact O-N 2.98Å; R140-L142 VanDerWaalsContact O-N 3.16Å; R140-C143 CarbonylContact O-C 3.45Å; R140-C143 WeakPolarHBondContact O-CA 3.26Å; R140-C143 WeakPolarHBondContact O-CB 3.43Å; R140-C143 PolarHBondContact O-N 2.96Å; R140-D144 WeakPolarHBondContact CG-OD2 3.34Å; R140-D144 IonicContact CZ-OD1 2.65Å; R140-D144 IonicContact NH1-OD1 3.36Å; R140-D144 PolarHBondContact NH1-OD1 3.08Å; R140-D144 IonicContact NH1-OD2 2.67Å; R140-D144 VanDerWaalsContact O-CG 3.24Å; R140-D144 PolarHBondContact O-N 3.06Å; R140-E186 IonicContact CZ-OE1 2.77Å; R140-E186 IonicContact NH1-OE1 2.72Å; R140-E186 PolarHBondContact NH1-OE1 2.8Å; R140-E186 IonicContact NH2-OE1 3.37Å; R140-E186 PolarHBondContact NH2-OE1 3.35Å; R140-F189 HydrophobicContact CB-CD2 3.74Å; R140-F189 HydrophobicContact CB-CE2 3.63Å; R140-F189 HydrophobicContact CB-CG 4.36Å; R140-F189 HydrophobicContact CB-CZ 4.17Å
141E98.6Very high97.9Very high74 Ų7456.9 Ų56.935%0.34628%0.281SS..Hα-helixtrans-51.8-42.2177.7-66.4167.4-132.800112.1R124 S137 L138 C143 D144 D145R124-E141 IonicContact CZ-OE2 2.67Å; R124-E141 IonicContact NH1-OE2 3.53Å; R124-E141 PolarHBondContact NH1-OE2 3.22Å; R124-E141 IonicContact NH2-OE2 3.43Å; S137-E141 PolarHBondContact O-N 2.91Å; L138-E141 HydrophobicContact CD1-CB 4.49Å; L138-E141 PolarHBondContact O-N 2.95Å; E141-C143 VanDerWaalsContact C-N 3.33Å; E141-C143 PolarHBondContact O-N 3.15Å; E141-D144 PolarHBondContact O-N 2.86Å; E141-D145 WeakPolarHBondContact O-CB 3.5Å; E141-D145 VanDerWaalsContact O-CG 3.27Å; E141-D145 PolarHBondContact O-N 2.92Å
142L98.7Very high97.9Very high0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-71.9-23.1177.3-65.3168.8000113.6T122 R124 L138 R140 L146 M213 V215T122-L142 HydrophobicContact CG2-CB 3.97Å; T122-L142 HydrophobicContact CG2-CD2 3.81Å; T122-L142 WeakPolarHBondContact CG2-O 3.16Å; R124-L142 HydrophobicContact CB-CD2 3.98Å; L138-L142 HydrophobicContact CD1-CD1 4.34Å; L138-L142 HydrophobicContact CD1-CG 4.29Å; L138-L142 HydrophobicContact CG-CD1 4.09Å; L138-L142 HydrophobicContact CG-CG 4.5Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.34Å; L138-L142 PolarHBondContact O-N 2.94Å; R140-L142 PolarHBondContact O-N 2.98Å; R140-L142 VanDerWaalsContact O-N 3.16Å; L142-L146 VanDerWaalsContact O-CB 3.25Å; L142-L146 WeakPolarHBondContact O-CB 3.2Å; L142-L146 PolarHBondContact O-N 3.16Å; L142-M213 HydrophobicContact CD1-CB 3.87Å; L142-M213 HydrophobicContact CD1-CG 3.78Å; L142-M213 WeakPolarHBondContact CD1-O 3.37Å; L142-M213 HydrophobicContact CD1-SD 4.16Å; L142-V215 HydrophobicContact CB-CB 4.48Å; L142-V215 HydrophobicContact CB-CG2 3.91Å
143C98.7Very high97.8Very high0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-79.4-36.8170.4-64.50000111.8C139 R140 E141 A147 I188 F189C139-C143 PolarHBondContact O-N 2.83Å; C139-C143 VanDerWaalsContact O-N 3.16Å; C139-C143 PolarHBondContact O-SG 2.88Å; R140-C143 CarbonylContact O-C 3.45Å; R140-C143 WeakPolarHBondContact O-CA 3.26Å; R140-C143 WeakPolarHBondContact O-CB 3.43Å; R140-C143 PolarHBondContact O-N 2.96Å; E141-C143 VanDerWaalsContact C-N 3.33Å; E141-C143 PolarHBondContact O-N 3.15Å; C143-A147 VanDerWaalsContact O-CB 3.29Å; C143-A147 WeakPolarHBondContact O-CB 3.37Å; C143-A147 PolarHBondContact O-N 2.94Å; C143-I188 HydrophobicContact CB-CB 4.43Å; C143-I188 HydrophobicContact CB-CG2 4.15Å; C143-F189 HydrophobicContact CB-CB 3.9Å; C143-F189 VanDerWaalsContact SG-CA 3.51Å
144D98.6Very high97.7Very high62 Ų6254.8 Ų54.833%0.33228%0.281SS..Hα-helixtrans-65.8-51.2176.1-56.9-35.4000110.1R140 E141 L146 A147 E148 A185R140-D144 WeakPolarHBondContact CG-OD2 3.34Å; R140-D144 IonicContact CZ-OD1 2.65Å; R140-D144 IonicContact NH1-OD1 3.36Å; R140-D144 PolarHBondContact NH1-OD1 3.08Å; R140-D144 IonicContact NH1-OD2 2.67Å; R140-D144 VanDerWaalsContact O-CG 3.24Å; R140-D144 PolarHBondContact O-N 3.06Å; E141-D144 PolarHBondContact O-N 2.86Å; D144-L146 VanDerWaalsContact C-N 3.33Å; D144-L146 PolarHBondContact O-N 3.39Å; D144-A147 PolarHBondContact O-N 3.12Å; D144-E148 PolarHBondContact O-N 2.92Å; D144-E148 VanDerWaalsContact O-N 3.09Å; D144-A185 WeakPolarHBondContact OD1-CB 3.02Å
145D98.4Very high97.6Very high65 Ų6553.1 Ų53.135%0.34827%0.274SS..Hα-helixtrans-48.3-52.2171.2-79.4-9.4000111.1T122 R124 E141 E148 D149T122-D145 HydrophobicContact CG2-CB 3.99Å; R124-D145 IonicContact CZ-OD2 2.79Å; R124-D145 IonicContact NH2-OD1 2.88Å; R124-D145 IonicContact NH2-OD2 3.36Å; R124-D145 PolarHBondContact NH2-OD2 3.24Å; E141-D145 WeakPolarHBondContact O-CB 3.5Å; E141-D145 VanDerWaalsContact O-CG 3.27Å; E141-D145 PolarHBondContact O-N 2.92Å; D145-E148 PolarHBondContact O-N 3.11Å; D145-D149 PolarHBondContact O-N 2.91Å
146L98.4Very high97.6Very high1 Ų159.2 Ų59.21%0.00530%0.301CS..Hα-helixtrans-68.6-37.5-175.8-177.560.3000112.6M120 T122 L142 D144 E148 D149 L150 I188 V215 I217M120-L146 HydrophobicContact CB-CD1 4.26Å; M120-L146 HydrophobicContact CG-CD1 3.77Å; M120-L146 HydrophobicContact SD-CD1 4.18Å; T122-L146 HydrophobicContact CG2-CB 4.12Å; L142-L146 VanDerWaalsContact O-CB 3.25Å; L142-L146 WeakPolarHBondContact O-CB 3.2Å; L142-L146 PolarHBondContact O-N 3.16Å; D144-L146 VanDerWaalsContact C-N 3.33Å; D144-L146 PolarHBondContact O-N 3.39Å; L146-E148 VanDerWaalsContact C-N 3.31Å; L146-D149 PolarHBondContact O-N 2.84Å; L146-L150 HydrophobicContact CD1-CG 4.44Å; L146-L150 HydrophobicContact CG-CD1 4.1Å; L146-L150 HydrophobicContact CG-CG 4.47Å; L146-L150 WeakPolarHBondContact O-CB 3.5Å; L146-L150 VanDerWaalsContact O-CG 3.22Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 2.96Å; L146-I188 HydrophobicContact CD2-CG2 4.35Å; L146-V215 HydrophobicContact CD2-CB 4.26Å; L146-V215 HydrophobicContact CD2-CG1 3.87Å; L146-I217 HydrophobicContact CD1-CG2 4.44Å; L146-I217 HydrophobicContact CD2-CB 4.35Å; L146-I217 HydrophobicContact CD2-CG2 4.33Å
147A98.3Very high97.5Very high14 Ų1457 Ų5712%0.11629%0.289CS..Hα-helixtrans-65.9-34.9176.700000111.7C143 D144 K151 A185C143-A147 VanDerWaalsContact O-CB 3.29Å; C143-A147 WeakPolarHBondContact O-CB 3.37Å; C143-A147 PolarHBondContact O-N 2.94Å; D144-A147 PolarHBondContact O-N 3.12Å; A147-K151 VanDerWaalsContact O-CB 3.3Å; A147-K151 WeakPolarHBondContact O-CB 3.2Å; A147-K151 PolarHBondContact O-N 3.37Å; A147-A185 HydrophobicContact CB-CB 3.85Å
148E98.3Very high97.5Very high115 Ų11557 Ų5754%0.53728%0.28SS..Hα-helixtrans-66.2-43.7174.3-154.3-163.998.800111.8D144 D145 L146 K151 K152D144-E148 PolarHBondContact O-N 2.92Å; D144-E148 VanDerWaalsContact O-N 3.09Å; D145-E148 PolarHBondContact O-N 3.11Å; L146-E148 VanDerWaalsContact C-N 3.31Å; E148-K151 WeakPolarHBondContact O-CB 3.35Å; E148-K151 PolarHBondContact O-N 3.04Å; E148-K152 WeakPolarHBondContact O-CG 3.45Å; E148-K152 PolarHBondContact O-N 2.96Å; E148-K152 WeakPolarHBondContact OE1-CE 3.41Å; E148-K152 IonicContact OE1-NZ 3.32Å; E148-K152 PolarHBondContact OE1-NZ 2.98Å
149D97.8Very high97.5Very high65 Ų6557.3 Ų57.335%0.34828%0.283SS..Hα-helixtrans-67-37.7176.6-80.1-6.2000112.8M120 D145 L146 K151 K152 E153M120-D149 HydrophobicContact CE-CB 4.27Å; M120-D149 VanDerWaalsContact SD-C 3.52Å; M120-D149 HydrophobicContact SD-CB 3.62Å; D145-D149 PolarHBondContact O-N 2.91Å; L146-D149 PolarHBondContact O-N 2.84Å; D149-K151 VanDerWaalsContact C-N 3.29Å; D149-K151 PolarHBondContact O-N 3.27Å; D149-K152 WeakPolarHBondContact O-CB 3.44Å; D149-K152 PolarHBondContact O-N 3.15Å; D149-K152 WeakPolarHBondContact OD1-CE 3.5Å; D149-K152 IonicContact OD1-NZ 3.45Å; D149-K152 PolarHBondContact OD1-NZ 3.42Å; D149-E153 PolarHBondContact O-N 3.12Å
150L96.9Very high97.5Very high1 Ų157.3 Ų57.31%0.00528%0.283CS..Hα-helixtrans-63-37.8172.6-71.8168.1000112M120 L146 E153 A154 L155 I188 I217 F220M120-L150 HydrophobicContact CB-CD2 4.23Å; M120-L150 HydrophobicContact SD-CB 4.42Å; M120-L150 HydrophobicContact SD-CD2 3.58Å; M120-L150 VanDerWaalsContact SD-CD2 3.58Å; M120-L150 HydrophobicContact SD-CG 3.77Å; M120-L150 PolarHBondContact SD-N 3.41Å; L146-L150 HydrophobicContact CD1-CG 4.44Å; L146-L150 HydrophobicContact CG-CD1 4.1Å; L146-L150 HydrophobicContact CG-CG 4.47Å; L146-L150 WeakPolarHBondContact O-CB 3.5Å; L146-L150 VanDerWaalsContact O-CG 3.22Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 2.96Å; L150-E153 CarbonylContact O-C 3.58Å; L150-E153 PolarHBondContact O-N 3.41Å; L150-A154 CarbonylContact O-C 3.54Å; L150-A154 WeakPolarHBondContact O-CA 3.3Å; L150-A154 PolarHBondContact O-N 3.49Å; L150-L155 HydrophobicContact CD2-CB 3.81Å; L150-L155 PolarHBondContact O-N 3.44Å; L150-I188 HydrophobicContact CD1-CD1 3.61Å; L150-I217 HydrophobicContact CD1-CD1 4.01Å; L150-I217 HydrophobicContact CD1-CG2 3.78Å; L150-I217 HydrophobicContact CD2-CG2 3.6Å; L150-I217 HydrophobicContact CG-CG2 4.15Å; L150-F220 HydrophobicContact CD2-CE1 3.67Å; L150-F220 HydrophobicContact CD2-CZ 4.08Å
151K96.8Very high97.5Very high176 Ų17654.7 Ų54.777%0.76528%0.275SS*.Hα-helixtrans-66.1-36.6175.5-174.9-178.4178.1-175.30112A147 E148 D149 A154A147-K151 VanDerWaalsContact O-CB 3.3Å; A147-K151 WeakPolarHBondContact O-CB 3.2Å; A147-K151 PolarHBondContact O-N 3.37Å; E148-K151 WeakPolarHBondContact O-CB 3.35Å; E148-K151 PolarHBondContact O-N 3.04Å; D149-K151 VanDerWaalsContact C-N 3.29Å; D149-K151 PolarHBondContact O-N 3.27Å; K151-A154 PolarHBondContact O-N 3Å
152K96.5Very high97.5Very high125 Ų12551.2 Ų51.254%0.54326%0.259SS..Hα-helixtrans-63.2-38.1175.6-68.7163.8-154.1163.80112.8E148 D149E148-K152 WeakPolarHBondContact O-CG 3.45Å; E148-K152 PolarHBondContact O-N 2.96Å; E148-K152 WeakPolarHBondContact OE1-CE 3.41Å; E148-K152 IonicContact OE1-NZ 3.32Å; E148-K152 PolarHBondContact OE1-NZ 2.98Å; D149-K152 WeakPolarHBondContact O-CB 3.44Å; D149-K152 PolarHBondContact O-N 3.15Å; D149-K152 WeakPolarHBondContact OD1-CE 3.5Å; D149-K152 IonicContact OD1-NZ 3.45Å; D149-K152 PolarHBondContact OD1-NZ 3.42Å
153E94.3Very high97.5Very high89 Ų8953.9 Ų53.942%0.41627%0.27SS..THydrogen-bonded Turntrans-97.54.7178.4-68.8-179.7-136.900113.8R117 M120 D149 L150 L155R117-E153 VanDerWaalsContact CZ-CD 3.48Å; R117-E153 IonicContact CZ-OE1 2.91Å; R117-E153 IonicContact CZ-OE2 3.08Å; R117-E153 IonicContact NE-OE1 2.81Å; R117-E153 IonicContact NE-OE2 3.52Å; R117-E153 PolarHBondContact NE-OE2 2.93Å; R117-E153 IonicContact NH1-OE1 2.65Å; R117-E153 IonicContact NH2-OE1 2.75Å; R117-E153 PolarHBondContact NH2-OE1 2.95Å; R117-E153 IonicContact NH2-OE2 2.89Å; R117-E153 PolarHBondContact NH2-OE2 3.02Å; M120-E153 HydrophobicContact CE-CB 4.14Å; M120-E153 VanDerWaalsContact CE-CD 3.41Å; M120-E153 HydrophobicContact CE-CG 4.06Å; M120-E153 VanDerWaalsContact CE-OE1 3.26Å; M120-E153 WeakPolarHBondContact CE-OE1 3.4Å; D149-E153 PolarHBondContact O-N 3.12Å; L150-E153 CarbonylContact O-C 3.58Å; L150-E153 PolarHBondContact O-N 3.41Å; E153-L155 HydrophobicContact CB-CD1 3.84Å; E153-L155 HydrophobicContact CB-CG 3.83Å; E153-L155 PolarHBondContact O-N 2.84Å
154A94.8Very high97.5Very high87 Ų8754.1 Ų54.172%0.71927%0.272SS*.THydrogen-bonded Turntrans53.928.8-176.400000115.2L150 K151L150-A154 CarbonylContact O-C 3.54Å; L150-A154 WeakPolarHBondContact O-CA 3.3Å; L150-A154 PolarHBondContact O-N 3.49Å; K151-A154 PolarHBondContact O-N 3Å
155L95.5Very high97.5Very high41 Ų4153.7 Ų53.722%0.21527%0.267CS..  trans-88.7147.2-174.7-63.8175.8000112.7M120 L150 E153 F220M120-L155 HydrophobicContact CE-CD1 4.1Å; L150-L155 HydrophobicContact CD2-CB 3.81Å; L150-L155 PolarHBondContact O-N 3.44Å; E153-L155 HydrophobicContact CB-CD1 3.84Å; E153-L155 HydrophobicContact CB-CG 3.83Å; E153-L155 PolarHBondContact O-N 2.84Å; L155-F220 HydrophobicContact CB-CD1 4.09Å; L155-F220 HydrophobicContact CB-CE1 3.93Å; L155-F220 HydrophobicContact CB-CZ 4.37Å; L155-F220 HydrophobicContact CD1-CD2 4.41Å; L155-F220 HydrophobicContact CD1-CE1 4.23Å; L155-F220 HydrophobicContact CD1-CE2 3.91Å; L155-F220 HydrophobicContact CD1-CZ 3.82Å
156K96.4Very high97.5Very high128 Ų12851.5 Ų51.556%0.55726%0.255SS*.  trans-136.8134.3171.1-49.3-166.9179-175.60109.9A181 A183 F220 V221K156-A181 HydrophobicContact CB-CB 4.05Å; K156-A183 HydrophobicContact CB-CB 4.27Å; K156-A183 HydrophobicContact CD-CB 4.4Å; K156-A183 HydrophobicContact CG-CB 3.87Å; K156-F220 VanDerWaalsContact O-CA 3.3Å; K156-F220 WeakPolarHBondContact O-CA 3.47Å; K156-V221 PolarHBondContact O-N 3.49Å
157G97.1Very high97.4Very high0 Ų052.9 Ų52.90%026%0.263CS..EExtended strand (participates in β ladder)trans-132.4161.8-174.100000114.1A181 V182 A219G157-A181 CarbonylContact O-C 3.47Å; G157-A181 WeakPolarHBondContact O-CA 3.43Å; G157-V182 PolarHBondContact N-O 3.3Å; G157-V182 WeakPolarHBondContact O-CG2 3.36Å; G157-V182 PolarHBondContact O-N 2.88Å; G157-A219 WeakPolarHBondContact CA-O 3.26Å
158K97.9Very high97.3Very high70 Ų7057.5 Ų57.530%0.30429%0.286SS..EExtended strand (participates in β ladder)trans-99.8-27.6-175.4-62.1-158.7177.7-163.20114.4T177 L178 P179 A181 S218 A219 V221K158-T177 HydrophobicContact CB-CG2 4.05Å; K158-T177 WeakPolarHBondContact O-CA 3.16Å; K158-L178 PolarHBondContact O-N 2.86Å; K158-P179 WeakPolarHBondContact CE-O 3.29Å; K158-P179 PolarHBondContact NZ-O 3.05Å; K158-A181 HydrophobicContact CG-CB 4.18Å; K158-S218 PolarHBondContact N-O 3.33Å; K158-S218 VanDerWaalsContact N-O 3.17Å; K158-A219 HydrophobicContact CB-CB 4.3Å; K158-A219 PolarHBondContact N-O 3.32Å; K158-V221 HydrophobicContact CG-CG2 4.17Å
159T98.4Very high97.3Very high19 Ų1956.7 Ų56.712%0.11728%0.281CS..EExtended strand (participates in β ladder)trans-105.3115.7-174.8-52.90000110.3A175 Q176 T177 I217 S218T159-A175 HydrophobicContact CG2-CB 4.25Å; T159-Q176 WeakPolarHBondContact CA-O 3.3Å; T159-T177 WeakPolarHBondContact CG2-OG1 3.46Å; T159-T177 PolarHBondContact OG1-OG1 3.35Å; T159-I217 CarbonylContact O-C 3.6Å; T159-I217 VanDerWaalsContact O-CA 3.27Å; T159-I217 WeakPolarHBondContact O-CA 3.46Å; T159-S218 PolarHBondContact N-O 2.96Å; T159-S218 PolarHBondContact O-N 2.96Å
160V98.7Very high97.3Very high0 Ų058.8 Ų58.80%029%0.289CS..EExtended strand (participates in β ladder)trans-95.2135.5168.3179.30000108.3A175 Q176 V182 I188 V191 A192 V215 R216V160-A175 CarbonylContact O-C 3.56Å; V160-A175 VanDerWaalsContact O-CA 3.26Å; V160-A175 WeakPolarHBondContact O-CA 3.21Å; V160-Q176 PolarHBondContact N-O 3.45Å; V160-Q176 PolarHBondContact O-N 3.2Å; V160-V182 HydrophobicContact CG2-CG2 4.02Å; V160-I188 HydrophobicContact CG1-CG2 4.16Å; V160-I188 HydrophobicContact CG2-CG2 4.38Å; V160-V191 HydrophobicContact CB-CB 4.2Å; V160-V191 HydrophobicContact CB-CG1 3.75Å; V160-V191 HydrophobicContact CG1-CB 4.31Å; V160-V191 HydrophobicContact CG1-CG1 4Å; V160-V191 HydrophobicContact CG2-CB 4.38Å; V160-V191 HydrophobicContact CG2-CG1 4.4Å; V160-A192 HydrophobicContact CG1-CB 4.35Å; V160-V215 HydrophobicContact CG1-CG1 4.12Å; V160-R216 CarbonylContact C-O 3.48Å; V160-R216 WeakPolarHBondContact CA-O 3.45Å
161T98.8Very high97.3Very high16 Ų1662.5 Ų62.510%0.09831%0.311CS..EExtended strand (participates in β ladder)trans-128119.7179.3-56.60000109.4R174 A175 R216T161-R174 CarbonylContact C-O 3.57Å; T161-R174 VanDerWaalsContact CA-O 3.28Å; T161-R174 WeakPolarHBondContact CA-O 3.29Å; T161-A175 HydrophobicContact CG2-CB 4.16Å; T161-A175 WeakPolarHBondContact OG1-CB 3.26Å; T161-R216 PolarHBondContact N-O 2.79Å; T161-R216 PolarHBondContact O-N 3.11Å
162L98.7Very high97.4Very high2 Ų257 Ų571%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-84.4133.4166.3178.468.5000109.2I164 T173 R174 L195 L196 M213L162-I164 HydrophobicContact CD1-CG2 4.23Å; L162-I164 HydrophobicContact CD2-CG2 4.28Å; L162-I164 HydrophobicContact CG-CG2 4.12Å; L162-T173 WeakPolarHBondContact O-CA 3.42Å; L162-R174 PolarHBondContact N-O 3.17Å; L162-R174 PolarHBondContact O-N 3.31Å; L162-L195 HydrophobicContact CB-CB 4.17Å; L162-L195 HydrophobicContact CB-CD1 4.21Å; L162-L195 HydrophobicContact CD2-CB 4.08Å; L162-L196 VanDerWaalsContact CD2-CA 3.47Å; L162-L196 HydrophobicContact CD2-CB 3.66Å; L162-L196 HydrophobicContact CD2-CD1 4.23Å; L162-M213 HydrophobicContact CD1-CG 4.08Å; L162-M213 HydrophobicContact CD1-SD 4.47Å
163K98.8Very high97.4Very high56 Ų5654.9 Ų54.924%0.24329%0.285CS..EExtended strand (participates in β ladder)trans-118.7128.3170.2176.6-179.5170.6-174.40108.4E123 V171 T173 L212 M213 G214E123-K163 IonicContact OE1-NZ 2.62Å; E123-K163 PolarHBondContact OE1-NZ 3.32Å; E123-K163 WeakPolarHBondContact OE2-CD 3.41Å; E123-K163 WeakPolarHBondContact OE2-CE 3Å; E123-K163 IonicContact OE2-NZ 3.1Å; E123-K163 PolarHBondContact OE2-NZ 3.39Å; K163-V171 HydrophobicContact CG-CG1 4.2Å; K163-T173 HydrophobicContact CB-CG2 4.12Å; K163-T173 HydrophobicContact CG-CG2 4.11Å; K163-L212 HydrophobicContact CD-CD2 4.35Å; K163-L212 HydrophobicContact CG-CD2 4.26Å; K163-M213 CarbonylContact O-C 3.58Å; K163-M213 WeakPolarHBondContact O-CA 3.42Å; K163-G214 PolarHBondContact N-O 3.31Å; K163-G214 PolarHBondContact O-N 3.23Å
164I98.5Very high97.6Very high5 Ų555.4 Ų55.43%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-128.1148.517456.7176.2000110L162 V171 K172 E199 L208 L210 L212 M213L162-I164 HydrophobicContact CD1-CG2 4.23Å; L162-I164 HydrophobicContact CD2-CG2 4.28Å; L162-I164 HydrophobicContact CG-CG2 4.12Å; I164-V171 WeakPolarHBondContact O-CA 3.38Å; I164-K172 HydrophobicContact CD1-CB 4.23Å; I164-K172 HydrophobicContact CD1-CD 4.49Å; I164-K172 HydrophobicContact CG1-CB 3.85Å; I164-K172 PolarHBondContact N-O 3.21Å; I164-K172 PolarHBondContact O-N 3.03Å; I164-E199 HydrophobicContact CD1-CB 3.9Å; I164-E199 HydrophobicContact CD1-CG 3.95Å; I164-L208 HydrophobicContact CD1-CD1 4.26Å; I164-L208 HydrophobicContact CD1-CD2 4.21Å; I164-L210 HydrophobicContact CB-CD1 4.35Å; I164-L210 HydrophobicContact CB-CD2 3.84Å; I164-L210 HydrophobicContact CD1-CD2 4.35Å; I164-L210 HydrophobicContact CG2-CD1 3.91Å; I164-L210 HydrophobicContact CG2-CD2 4.31Å; I164-L212 WeakPolarHBondContact CA-O 3.48Å; I164-M213 HydrophobicContact CG2-CG 4.3Å
165K98.6Very high97.8Very high52 Ų5254.3 Ų54.323%0.22627%0.274CS..EExtended strand (participates in β ladder)trans-128.5128.7170.5-169.9-177.1-77.8-175.70109.2F169 E170 V171 L210 R211 L212K165-F169 HydrophobicContact CD-CB 4.38Å; K165-F169 HydrophobicContact CD-CD1 4.49Å; K165-F169 WeakPolarHBondContact CG-O 3.5Å; K165-E170 VanDerWaalsContact CA-O 3.23Å; K165-E170 WeakPolarHBondContact CA-O 3.47Å; K165-E170 WeakPolarHBondContact CG-O 3.49Å; K165-V171 HydrophobicContact CB-CG2 4.29Å; K165-V171 HydrophobicContact CD-CG2 4.25Å; K165-V171 HydrophobicContact CG-CG2 3.96Å; K165-L210 WeakPolarHBondContact O-CA 3.49Å; K165-R211 HydrophobicContact CB-CG 4.26Å; K165-R211 HydrophobicContact CD-CG 4.13Å; K165-R211 HydrophobicContact CG-CG 4.1Å; K165-R211 PolarHBondContact O-N 3.1Å; K165-L212 HydrophobicContact CB-CB 3.88Å; K165-L212 HydrophobicContact CB-CD2 4.32Å; K165-L212 PolarHBondContact N-O 2.69Å; K165-L212 PolarHBondContact O-N 3.22Å
166N97.3Very high97.9Very high20 Ų2056.7 Ų56.711%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-80.5172.2176.172.68.7000112N168 F169 E170 R209 R211N166-N168 PolarHBondContact O-N 3.3Å; N166-N168 WeakPolarHBondContact OD1-CA 3.34Å; N166-N168 WeakPolarHBondContact OD1-CB 3.36Å; N166-N168 PolarHBondContact OD1-N 3.24Å; N166-N168 VanDerWaalsContact OD1-N 3.14Å; N166-F169 PolarHBondContact O-N 3.04Å; N166-F169 PolarHBondContact OD1-N 3.44Å; N166-E170 PolarHBondContact N-O 3.05Å; N166-E170 PolarHBondContact ND2-OE2 2.78Å; N166-E170 WeakPolarHBondContact OD1-CB 3.44Å; N166-E170 PolarHBondContact OD1-N 2.96Å; N166-R209 CarbonylContact C-O 3.59Å; N166-R209 WeakPolarHBondContact CA-O 3.36Å; N166-R209 WeakPolarHBondContact CB-O 3.45Å; N166-R211 WeakPolarHBondContact O-CD 3.43Å; N166-R211 VanDerWaalsContact O-CG 3.25Å; N166-R211 WeakPolarHBondContact O-CG 3.43Å
167V97.5Very high98Very high29 Ų2955 Ų5518%0.17629%0.285CS..THydrogen-bonded Turntrans-53.2-36.4177.8-720000113.1E128 F169 R209 R211E128-V167 HydrophobicContact CB-CG1 4.04Å; E128-V167 HydrophobicContact CG-CG1 3.67Å; V167-F169 PolarHBondContact O-N 3.04Å; V167-F169 VanDerWaalsContact O-N 3.08Å; V167-R209 HydrophobicContact CG1-CB 4.18Å; V167-R209 HydrophobicContact CG2-CB 4.03Å; V167-R209 PolarHBondContact N-O 2.77Å; V167-R211 PolarHBondContact O-NH1 3.31Å
168N96.8Very high98Very high111 Ų11156 Ų5659%0.59429%0.29SS*.THydrogen-bonded Turntrans-72.67.5178.1-58.5-6.6000114.3N166 E170N166-N168 PolarHBondContact O-N 3.3Å; N166-N168 WeakPolarHBondContact OD1-CA 3.34Å; N166-N168 WeakPolarHBondContact OD1-CB 3.36Å; N166-N168 PolarHBondContact OD1-N 3.24Å; N166-N168 VanDerWaalsContact OD1-N 3.14Å; N168-E170 HydrophobicContact CB-CG 4.28Å; N168-E170 PolarHBondContact O-N 3.17Å
169F96.8Very high97.9Very high99 Ų9957.7 Ų57.743%0.43431%0.308SS..  trans69.9-0.5-176-57.5-99.4000116.6K165 N166 V167 R211K165-F169 HydrophobicContact CD-CB 4.38Å; K165-F169 HydrophobicContact CD-CD1 4.49Å; K165-F169 WeakPolarHBondContact CG-O 3.5Å; N166-F169 PolarHBondContact O-N 3.04Å; N166-F169 PolarHBondContact OD1-N 3.44Å; V167-F169 PolarHBondContact O-N 3.04Å; V167-F169 VanDerWaalsContact O-N 3.08Å; F169-R211 VanDerWaalsContact CE1-NH1 3.35Å
170E97.2Very high97.7Very high108 Ų10863.3 Ų63.351%0.50533%0.328SS..  trans-63.5134.9176.3-56168.6172.900110.3K165 N166 N168K165-E170 VanDerWaalsContact CA-O 3.23Å; K165-E170 WeakPolarHBondContact CA-O 3.47Å; K165-E170 WeakPolarHBondContact CG-O 3.49Å; N166-E170 PolarHBondContact N-O 3.05Å; N166-E170 PolarHBondContact ND2-OE2 2.78Å; N166-E170 WeakPolarHBondContact OD1-CB 3.44Å; N166-E170 PolarHBondContact OD1-N 2.96Å; N168-E170 HydrophobicContact CB-CG 4.28Å; N168-E170 PolarHBondContact O-N 3.17Å
171V98.2Very high97.6Very high79 Ų7965 Ų6548%0.47934%0.342SS..EExtended strand (participates in β ladder)trans-108.2126.2-178178.90000110.2K163 I164 K165 T173K163-V171 HydrophobicContact CG-CG1 4.2Å; I164-V171 WeakPolarHBondContact O-CA 3.38Å; K165-V171 HydrophobicContact CB-CG2 4.29Å; K165-V171 HydrophobicContact CD-CG2 4.25Å; K165-V171 HydrophobicContact CG-CG2 3.96Å; V171-T173 HydrophobicContact CG1-CG2 4.46Å
172K97.7Very high97.5Very high61 Ų6164.3 Ų64.327%0.26534%0.338SS..EExtended strand (participates in β ladder)trans-112.8140.4168.5-55.2178.7-178.2177.30109.3I164 E199 E203I164-K172 HydrophobicContact CD1-CB 4.23Å; I164-K172 HydrophobicContact CD1-CD 4.49Å; I164-K172 HydrophobicContact CG1-CB 3.85Å; I164-K172 PolarHBondContact N-O 3.21Å; I164-K172 PolarHBondContact O-N 3.03Å; K172-E199 VanDerWaalsContact CD-OE2 3.26Å; K172-E199 WeakPolarHBondContact CD-OE2 3.48Å; K172-E203 IonicContact NZ-OE1 3.07Å; K172-E203 PolarHBondContact NZ-OE1 2.97Å
173T98.3Very high97.3Very high81 Ų8165.4 Ų65.450%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-125.6138.3171.750.90000110.2L162 K163 V171L162-T173 WeakPolarHBondContact O-CA 3.42Å; K163-T173 HydrophobicContact CB-CG2 4.12Å; K163-T173 HydrophobicContact CG-CG2 4.11Å; V171-T173 HydrophobicContact CG1-CG2 4.46Å
174R98.1Very high97.3Very high100 Ų10065.8 Ų65.838%0.37735%0.354SS..EExtended strand (participates in β ladder)trans-130140.7174.2-59.2-63.6175.8-111-3.5108.6T161 L162 L195 E199T161-R174 CarbonylContact C-O 3.57Å; T161-R174 VanDerWaalsContact CA-O 3.28Å; T161-R174 WeakPolarHBondContact CA-O 3.29Å; L162-R174 PolarHBondContact N-O 3.17Å; L162-R174 PolarHBondContact O-N 3.31Å; R174-L195 HydrophobicContact CB-CB 4.43Å; R174-L195 HydrophobicContact CB-CD2 4.16Å; R174-E199 HydrophobicContact CG-CG 3.85Å; R174-E199 IonicContact CZ-OE1 3.66Å; R174-E199 IonicContact CZ-OE2 2.6Å; R174-E199 IonicContact NE-OE1 2.72Å; R174-E199 PolarHBondContact NE-OE1 2.94Å; R174-E199 IonicContact NE-OE2 2.68Å; R174-E199 PolarHBondContact NE-OE2 3.02Å; R174-E199 VanDerWaalsContact NH2-CD 3.28Å; R174-E199 IonicContact NH2-OE1 3.96Å; R174-E199 PolarHBondContact NH2-OE1 3.32Å; R174-E199 VanDerWaalsContact NH2-OE1 3.07Å; R174-E199 IonicContact NH2-OE2 3.64Å; R174-E199 PolarHBondContact NH2-OE2 3.13Å
175A98.1Very high97.3Very high64 Ų6466 Ų6653%0.52936%0.357SS..EExtended strand (participates in β ladder)trans-139.5146.5-178.100000111.4T159 V160 T161T159-A175 HydrophobicContact CG2-CB 4.25Å; V160-A175 CarbonylContact O-C 3.56Å; V160-A175 VanDerWaalsContact O-CA 3.26Å; V160-A175 WeakPolarHBondContact O-CA 3.21Å; T161-A175 HydrophobicContact CG2-CB 4.16Å; T161-A175 WeakPolarHBondContact OG1-CB 3.26Å
176Q98.4Very high97.2Very high91 Ų9168.6 Ų68.643%0.42537%0.37SS..EExtended strand (participates in β ladder)trans-131.9134171.4-171.2176.528.600108.9T159 V160 V191 L195T159-Q176 WeakPolarHBondContact CA-O 3.3Å; V160-Q176 PolarHBondContact N-O 3.45Å; V160-Q176 PolarHBondContact O-N 3.2Å; Q176-V191 HydrophobicContact CB-CG1 3.87Å; Q176-L195 HydrophobicContact CB-CD1 4.48Å; Q176-L195 HydrophobicContact CB-CD2 4.33Å
177T98.2Very high97.2Very high93 Ų9370.3 Ų70.357%0.57138%0.379SS*.EExtended strand (participates in β ladder)trans-104.7122.6174.1-58.80000109.3K158 T159K158-T177 HydrophobicContact CB-CG2 4.05Å; K158-T177 WeakPolarHBondContact O-CA 3.16Å; T159-T177 WeakPolarHBondContact CG2-OG1 3.46Å; T159-T177 PolarHBondContact OG1-OG1 3.35Å
178L96.8Very high97.3Very high20 Ų2068.9 Ų68.911%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-86.4153.8177-62.5176.4000111K158 Y180 V182 V191K158-L178 PolarHBondContact O-N 2.86Å; L178-Y180 WeakPolarHBondContact CB-O 3.34Å; L178-Y180 HydrophobicContact CD1-CD2 4.49Å; L178-Y180 HydrophobicContact CD1-CE2 3.89Å; L178-V182 HydrophobicContact CD1-CB 4.5Å; L178-V182 HydrophobicContact CD1-CG1 3.45Å; L178-V182 VanDerWaalsContact CD1-CG1 3.45Å; L178-V182 HydrophobicContact CD1-CG2 4.23Å; L178-V191 HydrophobicContact CD1-CG2 3.91Å; L178-V191 HydrophobicContact CD2-CG2 4.07Å; L178-V191 HydrophobicContact CG-CG2 4.25Å
179P95.2Very high97.4Very high106 Ų10665.2 Ų65.269%0.68835%0.349SS*.EExtended strand (participates in β ladder)trans-70.1-33.917526.5-31.9000112.1K158K158-P179 WeakPolarHBondContact CE-O 3.29Å; K158-P179 PolarHBondContact NZ-O 3.05Å
180Y94.2Very high97.4Very high137 Ų13762.5 Ų62.554%0.53735%0.345SS..EExtended strand (participates in β ladder)trans-94.5167.7172.654-93000111.6L178 V182L178-Y180 WeakPolarHBondContact CB-O 3.34Å; L178-Y180 HydrophobicContact CD1-CD2 4.49Å; L178-Y180 HydrophobicContact CD1-CE2 3.89Å; Y180-V182 HydrophobicContact CD2-CG1 3.74Å; Y180-V182 HydrophobicContact CE2-CG1 3.53Å
181A96.5Very high97.5Very high35 Ų3557.9 Ų57.929%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-97.6138.7175.700000110.9K156 G157 K158 V221K156-A181 HydrophobicContact CB-CB 4.05Å; G157-A181 CarbonylContact O-C 3.47Å; G157-A181 WeakPolarHBondContact O-CA 3.43Å; K158-A181 HydrophobicContact CG-CB 4.18Å; A181-V221 HydrophobicContact CB-CG2 3.72Å
182V97Very high97.5Very high1 Ų154.1 Ų54.11%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-115.3155.6-177.7-63.20000111.4G157 V160 L178 Y180 D187 I188 I217G157-V182 PolarHBondContact N-O 3.3Å; G157-V182 WeakPolarHBondContact O-CG2 3.36Å; G157-V182 PolarHBondContact O-N 2.88Å; V160-V182 HydrophobicContact CG2-CG2 4.02Å; L178-V182 HydrophobicContact CD1-CB 4.5Å; L178-V182 HydrophobicContact CD1-CG1 3.45Å; L178-V182 VanDerWaalsContact CD1-CG1 3.45Å; L178-V182 HydrophobicContact CD1-CG2 4.23Å; Y180-V182 HydrophobicContact CD2-CG1 3.74Å; Y180-V182 HydrophobicContact CE2-CG1 3.53Å; V182-D187 HydrophobicContact CB-CB 3.61Å; V182-D187 HydrophobicContact CG1-CB 3.56Å; V182-I188 HydrophobicContact CG2-CG1 4.1Å; V182-I217 HydrophobicContact CG2-CD1 3.94Å; V182-I217 WeakPolarHBondContact O-CD1 3.42Å
183A95.8Very high97.5Very high26 Ų2653.2 Ų53.222%0.21530%0.297CS..  trans-160.1-11.3177.200000114.1K156K156-A183 HydrophobicContact CB-CB 4.27Å; K156-A183 HydrophobicContact CD-CB 4.4Å; K156-A183 HydrophobicContact CG-CB 3.87Å
184T97.9Very high97.5Very high63 Ų6352.7 Ų52.739%0.38729%0.292SS..SBendtrans-78.6155.1173.572.90000110.3E186 D187 I188T184-E186 PolarHBondContact O-N 2.95Å; T184-D187 PolarHBondContact O-N 3.19Å; T184-D187 WeakPolarHBondContact OG1-CB 3.47Å; T184-D187 PolarHBondContact OG1-N 3.31Å; T184-D187 PolarHBondContact OG1-OD2 2.84Å; T184-I188 WeakPolarHBondContact O-CD1 3.48Å; T184-I188 VanDerWaalsContact O-CG1 3.24Å; T184-I188 WeakPolarHBondContact O-CG1 3.27Å; T184-I188 PolarHBondContact O-N 3.31Å
185A98.1Very high97.6Very high10 Ų1049.1 Ų49.18%0.08328%0.28CS..Hα-helixtrans-64-32.4174.200000111D144 A147 F189D144-A185 WeakPolarHBondContact OD1-CB 3.02Å; A147-A185 HydrophobicContact CB-CB 3.85Å; A185-F189 WeakPolarHBondContact O-CA 3.47Å; A185-F189 WeakPolarHBondContact O-CB 3.23Å; A185-F189 PolarHBondContact O-N 3.48Å
186E98.1Very high97.6Very high106 Ų10646 Ų4650%0.49525%0.254SS..Hα-helixtrans-62.9-49.2179-71.249.3-107.900111.2R140 T184 A190R140-E186 IonicContact CZ-OE1 2.77Å; R140-E186 IonicContact NH1-OE1 2.72Å; R140-E186 PolarHBondContact NH1-OE1 2.8Å; R140-E186 IonicContact NH2-OE1 3.37Å; R140-E186 PolarHBondContact NH2-OE1 3.35Å; T184-E186 PolarHBondContact O-N 2.95Å; E186-A190 VanDerWaalsContact O-CB 3.24Å; E186-A190 WeakPolarHBondContact O-CB 3.21Å; E186-A190 PolarHBondContact O-N 3.37Å
187D97.2Very high97.5Very high56 Ų5645.5 Ų45.530%0.29925%0.251SS..Hα-helixtrans-64.9-46.5178.5-60.7-46.4000111.6V182 T184 A190 V191V182-D187 HydrophobicContact CB-CB 3.61Å; V182-D187 HydrophobicContact CG1-CB 3.56Å; T184-D187 PolarHBondContact O-N 3.19Å; T184-D187 WeakPolarHBondContact OG1-CB 3.47Å; T184-D187 PolarHBondContact OG1-N 3.31Å; T184-D187 PolarHBondContact OG1-OD2 2.84Å; D187-A190 PolarHBondContact O-N 3.48Å; D187-V191 PolarHBondContact O-N 3.5Å
188I98.4Very high97.5Very high0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-68.1-44.8-176.6-63.6168.4000109.6C143 L146 L150 V160 V182 T184 V191 A192 V215 I217C143-I188 HydrophobicContact CB-CB 4.43Å; C143-I188 HydrophobicContact CB-CG2 4.15Å; L146-I188 HydrophobicContact CD2-CG2 4.35Å; L150-I188 HydrophobicContact CD1-CD1 3.61Å; V160-I188 HydrophobicContact CG1-CG2 4.16Å; V160-I188 HydrophobicContact CG2-CG2 4.38Å; V182-I188 HydrophobicContact CG2-CG1 4.1Å; T184-I188 WeakPolarHBondContact O-CD1 3.48Å; T184-I188 VanDerWaalsContact O-CG1 3.24Å; T184-I188 WeakPolarHBondContact O-CG1 3.27Å; T184-I188 PolarHBondContact O-N 3.31Å; I188-V191 PolarHBondContact O-N 2.93Å; I188-A192 WeakPolarHBondContact O-CB 3.45Å; I188-A192 PolarHBondContact O-N 3.4Å; I188-V215 HydrophobicContact CG2-CG1 3.75Å; I188-I217 HydrophobicContact CD1-CD1 4.4Å
189F98.7Very high97.5Very high34 Ų3443.5 Ų43.515%0.14924%0.239CC..Hα-helixtrans-64.4-39174.8179.9-108.9000111.6L136 C139 R140 C143 A185 V191 A192 K193L136-F189 WeakPolarHBondContact O-CE2 3.43Å; C139-F189 HydrophobicContact CB-CE2 4.22Å; R140-F189 HydrophobicContact CB-CD2 3.74Å; R140-F189 HydrophobicContact CB-CE2 3.63Å; R140-F189 HydrophobicContact CB-CG 4.36Å; R140-F189 HydrophobicContact CB-CZ 4.17Å; C143-F189 HydrophobicContact CB-CB 3.9Å; C143-F189 VanDerWaalsContact SG-CA 3.51Å; A185-F189 WeakPolarHBondContact O-CA 3.47Å; A185-F189 WeakPolarHBondContact O-CB 3.23Å; A185-F189 PolarHBondContact O-N 3.48Å; F189-V191 PolarHBondContact O-N 3.42Å; F189-A192 PolarHBondContact O-N 2.91Å; F189-K193 HydrophobicContact CD1-CB 4.38Å; F189-K193 HydrophobicContact CD1-CD 4.47Å; F189-K193 HydrophobicContact CD2-CB 4.27Å; F189-K193 HydrophobicContact CE1-CB 4.13Å; F189-K193 HydrophobicContact CE1-CD 3.86Å; F189-K193 HydrophobicContact CE1-CG 4.04Å; F189-K193 HydrophobicContact CE2-CB 4Å; F189-K193 HydrophobicContact CE2-CG 4.35Å; F189-K193 HydrophobicContact CG-CB 4.46Å; F189-K193 HydrophobicContact CZ-CB 3.94Å; F189-K193 HydrophobicContact CZ-CD 4.17Å; F189-K193 HydrophobicContact CZ-CG 3.84Å; F189-K193 WeakPolarHBondContact O-CB 3.33Å; F189-K193 PolarHBondContact O-N 3.3Å
190A98.3Very high97.6Very high42 Ų4239.9 Ų39.935%0.34721%0.214SC..Hα-helixtrans-53.2-46.4178.100000111.3E186 D187 K193E186-A190 VanDerWaalsContact O-CB 3.24Å; E186-A190 WeakPolarHBondContact O-CB 3.21Å; E186-A190 PolarHBondContact O-N 3.37Å; D187-A190 PolarHBondContact O-N 3.48Å; A190-K193 PolarHBondContact O-NZ 3.06Å
191V98.3Very high97.6Very high10 Ų1039.7 Ų39.76%0.06122%0.218CC..Hα-helixtrans-71-52.6175175.10000112.5V160 Q176 L178 D187 I188 F189 K193 D194 L195V160-V191 HydrophobicContact CB-CB 4.2Å; V160-V191 HydrophobicContact CB-CG1 3.75Å; V160-V191 HydrophobicContact CG1-CB 4.31Å; V160-V191 HydrophobicContact CG1-CG1 4Å; V160-V191 HydrophobicContact CG2-CB 4.38Å; V160-V191 HydrophobicContact CG2-CG1 4.4Å; Q176-V191 HydrophobicContact CB-CG1 3.87Å; L178-V191 HydrophobicContact CD1-CG2 3.91Å; L178-V191 HydrophobicContact CD2-CG2 4.07Å; L178-V191 HydrophobicContact CG-CG2 4.25Å; D187-V191 PolarHBondContact O-N 3.5Å; I188-V191 PolarHBondContact O-N 2.93Å; F189-V191 PolarHBondContact O-N 3.42Å; V191-K193 VanDerWaalsContact C-N 3.27Å; V191-K193 PolarHBondContact O-N 3.25Å; V191-D194 PolarHBondContact O-N 2.83Å; V191-D194 VanDerWaalsContact O-N 3.11Å; V191-L195 HydrophobicContact CG1-CD1 3.86Å; V191-L195 HydrophobicContact CG1-CG 4.18Å; V191-L195 WeakPolarHBondContact O-CG 3.12Å; V191-L195 PolarHBondContact O-N 3.16Å
192A98.5Very high97.5Very high0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-61.8-35.4-174.300000112.7V160 I188 F189 L196 V215V160-A192 HydrophobicContact CG1-CB 4.35Å; I188-A192 WeakPolarHBondContact O-CB 3.45Å; I188-A192 PolarHBondContact O-N 3.4Å; F189-A192 PolarHBondContact O-N 2.91Å; A192-L196 VanDerWaalsContact O-CB 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.48Å; A192-L196 PolarHBondContact O-N 3.15Å; A192-V215 HydrophobicContact CB-CG1 4.33Å; A192-V215 HydrophobicContact CB-CG2 4.32Å
193K98.4Very high97.3Very high43 Ų4345.4 Ų45.419%0.18724%0.242CC..Hα-helixtrans-59.2-46.8172.3-179.6-153.379.3-115.50112.4L136 F189 A190 V191 L196 K197L136-K193 HydrophobicContact CD2-CB 4.45Å; L136-K193 HydrophobicContact CD2-CG 3.77Å; F189-K193 HydrophobicContact CD1-CB 4.38Å; F189-K193 HydrophobicContact CD1-CD 4.47Å; F189-K193 HydrophobicContact CD2-CB 4.27Å; F189-K193 HydrophobicContact CE1-CB 4.13Å; F189-K193 HydrophobicContact CE1-CD 3.86Å; F189-K193 HydrophobicContact CE1-CG 4.04Å; F189-K193 HydrophobicContact CE2-CB 4Å; F189-K193 HydrophobicContact CE2-CG 4.35Å; F189-K193 HydrophobicContact CG-CB 4.46Å; F189-K193 HydrophobicContact CZ-CB 3.94Å; F189-K193 HydrophobicContact CZ-CD 4.17Å; F189-K193 HydrophobicContact CZ-CG 3.84Å; F189-K193 WeakPolarHBondContact O-CB 3.33Å; F189-K193 PolarHBondContact O-N 3.3Å; A190-K193 PolarHBondContact O-NZ 3.06Å; V191-K193 VanDerWaalsContact C-N 3.27Å; V191-K193 PolarHBondContact O-N 3.25Å; K193-L196 PolarHBondContact O-N 3.05Å; K193-K197 WeakPolarHBondContact O-CG 3.48Å; K193-K197 PolarHBondContact O-N 2.89Å
194D98.3Very high97Very high70 Ų7048.1 Ų48.137%0.37426%0.259SS..Hα-helixtrans-78.1-34.3-177.4-68.2-35.5000111.4V191 L196 K197 T198V191-D194 PolarHBondContact O-N 2.83Å; V191-D194 VanDerWaalsContact O-N 3.11Å; D194-L196 VanDerWaalsContact C-N 3.3Å; D194-L196 PolarHBondContact O-N 3.34Å; D194-K197 PolarHBondContact O-N 3.48Å; D194-K197 IonicContact OD1-NZ 3.54Å; D194-K197 PolarHBondContact OD1-NZ 3.04Å; D194-T198 PolarHBondContact O-N 3.27Å; D194-T198 VanDerWaalsContact O-N 3.1Å; D194-T198 PolarHBondContact O-OG1 3.16Å
195L98.4Very high96.6Very high24 Ų2451.3 Ų51.313%0.12628%0.281CS..Hα-helixtrans-59-39.4166.9-67.8178.6000112.7L162 R174 Q176 V191 E199L162-L195 HydrophobicContact CB-CB 4.17Å; L162-L195 HydrophobicContact CB-CD1 4.21Å; L162-L195 HydrophobicContact CD2-CB 4.08Å; R174-L195 HydrophobicContact CB-CB 4.43Å; R174-L195 HydrophobicContact CB-CD2 4.16Å; Q176-L195 HydrophobicContact CB-CD1 4.48Å; Q176-L195 HydrophobicContact CB-CD2 4.33Å; V191-L195 HydrophobicContact CG1-CD1 3.86Å; V191-L195 HydrophobicContact CG1-CG 4.18Å; V191-L195 WeakPolarHBondContact O-CG 3.12Å; V191-L195 PolarHBondContact O-N 3.16Å; L195-E199 PolarHBondContact O-N 3.09Å
196L98.3Very high96.3Very high0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-70.2-41.8178.2176.556.6000111.7Q135 L136 C139 L162 A192 K193 D194 T198 E199 I200 L208 M213Q135-L196 HydrophobicContact CB-CD2 4.18Å; L136-L196 HydrophobicContact CD2-CD2 4.16Å; C139-L196 HydrophobicContact CB-CD2 3.66Å; L162-L196 VanDerWaalsContact CD2-CA 3.47Å; L162-L196 HydrophobicContact CD2-CB 3.66Å; L162-L196 HydrophobicContact CD2-CD1 4.23Å; A192-L196 VanDerWaalsContact O-CB 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.48Å; A192-L196 PolarHBondContact O-N 3.15Å; K193-L196 PolarHBondContact O-N 3.05Å; D194-L196 VanDerWaalsContact C-N 3.3Å; D194-L196 PolarHBondContact O-N 3.34Å; L196-T198 VanDerWaalsContact C-N 3.34Å; L196-T198 PolarHBondContact O-N 3.28Å; L196-E199 PolarHBondContact O-N 2.6Å; L196-I200 HydrophobicContact CD1-CD1 4.11Å; L196-I200 HydrophobicContact CD1-CG1 4.34Å; L196-I200 HydrophobicContact CG-CD1 3.94Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 2.91Å; L196-L208 HydrophobicContact CD1-CD2 4.21Å; L196-M213 HydrophobicContact CD1-CE 3.97Å; L196-M213 HydrophobicContact CD2-CE 3.78Å; L196-M213 HydrophobicContact CD2-SD 4.29Å
197K97.8Very high96Very high79 Ų7956.7 Ų56.734%0.34331%0.311SS..Hα-helixtrans-58.1-44.4173.6-75.8174.4-173.6167.40112.3K193 D194 E199 I200 E201K193-K197 WeakPolarHBondContact O-CG 3.48Å; K193-K197 PolarHBondContact O-N 2.89Å; D194-K197 PolarHBondContact O-N 3.48Å; D194-K197 IonicContact OD1-NZ 3.54Å; D194-K197 PolarHBondContact OD1-NZ 3.04Å; K197-E199 VanDerWaalsContact C-N 3.27Å; K197-E199 PolarHBondContact O-N 3.33Å; K197-I200 PolarHBondContact O-N 2.84Å; K197-I200 VanDerWaalsContact O-N 3.11Å; K197-E201 WeakPolarHBondContact O-CB 3.32Å; K197-E201 WeakPolarHBondContact O-CG 3.36Å; K197-E201 PolarHBondContact O-N 3.11Å
198T97.4Very high95.9Very high70 Ų7054.1 Ų54.143%0.42930%0.298SS..Hα-helixtrans-57.6-40.1177-58.80000111.7D194 L196 E201 N202D194-T198 PolarHBondContact O-N 3.27Å; D194-T198 VanDerWaalsContact O-N 3.1Å; D194-T198 PolarHBondContact O-OG1 3.16Å; L196-T198 VanDerWaalsContact C-N 3.34Å; L196-T198 PolarHBondContact O-N 3.28Å; T198-E201 PolarHBondContact O-N 3.07Å; T198-N202 VanDerWaalsContact O-CB 3.29Å; T198-N202 WeakPolarHBondContact O-CB 3.36Å; T198-N202 PolarHBondContact O-N 3.44Å; T198-N202 PolarHBondContact O-ND2 2.88Å; T198-N202 VanDerWaalsContact O-ND2 3.16Å
199E96.9Very high95.9Very high1 Ų159.6 Ų59.61%0.00532%0.318CS..Hα-helixtrans-72.3-31.7176.1-67.4-63.3102.600113.8I164 K172 R174 L195 L196 K197 N202 E203 L208I164-E199 HydrophobicContact CD1-CB 3.9Å; I164-E199 HydrophobicContact CD1-CG 3.95Å; K172-E199 VanDerWaalsContact CD-OE2 3.26Å; K172-E199 WeakPolarHBondContact CD-OE2 3.48Å; R174-E199 HydrophobicContact CG-CG 3.85Å; R174-E199 IonicContact CZ-OE1 3.66Å; R174-E199 IonicContact CZ-OE2 2.6Å; R174-E199 IonicContact NE-OE1 2.72Å; R174-E199 PolarHBondContact NE-OE1 2.94Å; R174-E199 IonicContact NE-OE2 2.68Å; R174-E199 PolarHBondContact NE-OE2 3.02Å; R174-E199 VanDerWaalsContact NH2-CD 3.28Å; R174-E199 IonicContact NH2-OE1 3.96Å; R174-E199 PolarHBondContact NH2-OE1 3.32Å; R174-E199 VanDerWaalsContact NH2-OE1 3.07Å; R174-E199 IonicContact NH2-OE2 3.64Å; R174-E199 PolarHBondContact NH2-OE2 3.13Å; L195-E199 PolarHBondContact O-N 3.09Å; L196-E199 PolarHBondContact O-N 2.6Å; K197-E199 VanDerWaalsContact C-N 3.27Å; K197-E199 PolarHBondContact O-N 3.33Å; E199-N202 PolarHBondContact OE1-ND2 3.44Å; E199-E203 PolarHBondContact O-N 3.13Å; E199-L208 HydrophobicContact CB-CD2 4.34Å
200I96.3Very high95.9Very high31 Ų3158 Ų5816%0.15931%0.311CS..Hα-helixtrans-67.8-41.6172-66.1164.5000110.7P132 L196 K197 E203 S204 L208P132-I200 HydrophobicContact CB-CD1 4.2Å; P132-I200 HydrophobicContact CG-CG2 4.16Å; L196-I200 HydrophobicContact CD1-CD1 4.11Å; L196-I200 HydrophobicContact CD1-CG1 4.34Å; L196-I200 HydrophobicContact CG-CD1 3.94Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 2.91Å; K197-I200 PolarHBondContact O-N 2.84Å; K197-I200 VanDerWaalsContact O-N 3.11Å; I200-E203 PolarHBondContact O-N 2.99Å; I200-S204 PolarHBondContact O-N 3.02Å; I200-L208 HydrophobicContact CG1-CB 4.35Å; I200-L208 HydrophobicContact CG1-CD2 3.74Å
201E95.8Very high95.9Very high133 Ų13359.3 Ų59.362%0.62131%0.307SS*.Hα-helixtrans-67.4-35176.1-72.3169.4-160.200111.6K197 T198 E203 S204K197-E201 WeakPolarHBondContact O-CB 3.32Å; K197-E201 WeakPolarHBondContact O-CG 3.36Å; K197-E201 PolarHBondContact O-N 3.11Å; T198-E201 PolarHBondContact O-N 3.07Å; E201-E203 PolarHBondContact O-N 3.32Å; E201-S204 VanDerWaalsContact O-CB 3.23Å; E201-S204 WeakPolarHBondContact O-CB 3.3Å; E201-S204 PolarHBondContact O-N 3.47Å
202N94.7Very high95.9Very high107 Ų10759.1 Ų59.157%0.57231%0.306SS*.Hα-helixtrans-68.2-27177.3-76.6-23.3000114.3T198 E199T198-N202 VanDerWaalsContact O-CB 3.29Å; T198-N202 WeakPolarHBondContact O-CB 3.36Å; T198-N202 PolarHBondContact O-N 3.44Å; T198-N202 PolarHBondContact O-ND2 2.88Å; T198-N202 VanDerWaalsContact O-ND2 3.16Å; E199-N202 PolarHBondContact OE1-ND2 3.44Å
203E92.2Very high95.9Very high48 Ų4859.1 Ų59.122%0.22431%0.306CS..Hα-helixtrans-96.7-7.9175.9-68.4-171.8-163.800113.5K172 E199 I200 E201 Q206 L208K172-E203 IonicContact NZ-OE1 3.07Å; K172-E203 PolarHBondContact NZ-OE1 2.97Å; E199-E203 PolarHBondContact O-N 3.13Å; I200-E203 PolarHBondContact O-N 2.99Å; E201-E203 PolarHBondContact O-N 3.32Å; E203-Q206 CarbonylContact C-O 3.48Å; E203-Q206 WeakPolarHBondContact O-CA 3.49Å; E203-Q206 WeakPolarHBondContact O-CB 3.45Å; E203-Q206 PolarHBondContact O-N 3.3Å; E203-L208 HydrophobicContact CG-CD1 4.42Å; E203-L208 VanDerWaalsContact OE1-CD1 3.31Å; E203-L208 WeakPolarHBondContact OE1-CD1 3.44Å; E203-L208 WeakPolarHBondContact OE2-CA 3.43Å; E203-L208 VanDerWaalsContact OE2-CD1 3.28Å; E203-L208 WeakPolarHBondContact OE2-CD1 3.44Å
204S89.1Confident95.9Very high83 Ų8357.2 Ų57.258%0.5830%0.298SS*.THydrogen-bonded Turntrans-54.3134.9175.7-170.50000112.1I200 E201I200-S204 PolarHBondContact O-N 3.02Å; E201-S204 VanDerWaalsContact O-CB 3.23Å; E201-S204 WeakPolarHBondContact O-CB 3.3Å; E201-S204 PolarHBondContact O-N 3.47Å
205P89.3Confident95.9Very high130 Ų13053.9 Ų53.984%0.84428%0.281SS*.THydrogen-bonded Turncis-87.75.611.736.4-38.2000115.2
206Q91.6Very high96Very high150 Ų15057.5 Ų57.570%0.70129%0.293SS*.SBendtrans-81.2145.1177.3-57.6-171.348.100110.3E203E203-Q206 CarbonylContact C-O 3.48Å; E203-Q206 WeakPolarHBondContact O-CA 3.49Å; E203-Q206 WeakPolarHBondContact O-CB 3.45Å; E203-Q206 PolarHBondContact O-N 3.3Å
207P92.9Very high96Very high79 Ų7957.5 Ų57.551%0.51329%0.293SS..  trans-72.2131.3173.629.7-33000109.9R209P207-R209 WeakPolarHBondContact O-CG 3.46Å; P207-R209 PolarHBondContact O-N 2.89Å; P207-R209 VanDerWaalsContact O-N 3.12Å
208L95.4Very high96Very high3 Ų354.4 Ų54.42%0.01628%0.281CS..  trans-60.6109.7171173.764.4000109.6Q135 I164 L196 E199 I200 E203 L210Q135-L208 PolarHBondContact NE2-O 3.41Å; I164-L208 HydrophobicContact CD1-CD1 4.26Å; I164-L208 HydrophobicContact CD1-CD2 4.21Å; L196-L208 HydrophobicContact CD1-CD2 4.21Å; E199-L208 HydrophobicContact CB-CD2 4.34Å; I200-L208 HydrophobicContact CG1-CB 4.35Å; I200-L208 HydrophobicContact CG1-CD2 3.74Å; E203-L208 HydrophobicContact CG-CD1 4.42Å; E203-L208 VanDerWaalsContact OE1-CD1 3.31Å; E203-L208 WeakPolarHBondContact OE1-CD1 3.44Å; E203-L208 WeakPolarHBondContact OE2-CA 3.43Å; E203-L208 VanDerWaalsContact OE2-CD1 3.28Å; E203-L208 WeakPolarHBondContact OE2-CD1 3.44Å; L208-L210 HydrophobicContact CD1-CD2 3.73Å; L208-L210 HydrophobicContact CD1-CG 4.47Å; L208-L210 HydrophobicContact CD2-CD1 4.17Å; L208-L210 HydrophobicContact CD2-CD2 4.08Å; L208-L210 HydrophobicContact CD2-CG 4.2Å; L208-L210 HydrophobicContact CG-CD1 4.41Å; L208-L210 HydrophobicContact CG-CD2 3.69Å; L208-L210 HydrophobicContact CG-CG 3.89Å; L208-L210 PolarHBondContact O-N 3.42Å
209R97.5Very high95.9Very high115 Ų11553.5 Ų53.543%0.43428%0.28SS..  trans-9593.7-174-68.9172.571.6-155.9-1.3112E128 N166 V167 P207E128-R209 IonicContact OE1-CZ 2.92Å; E128-R209 IonicContact OE1-NE 2.68Å; E128-R209 PolarHBondContact OE1-NE 2.76Å; E128-R209 IonicContact OE1-NH2 2.61Å; E128-R209 PolarHBondContact OE1-NH2 3.41Å; E128-R209 IonicContact OE2-CZ 2.97Å; E128-R209 IonicContact OE2-NE 2.76Å; E128-R209 IonicContact OE2-NH2 3.86Å; E128-R209 PolarHBondContact OE2-NH2 2.84Å; N166-R209 CarbonylContact C-O 3.59Å; N166-R209 WeakPolarHBondContact CA-O 3.36Å; N166-R209 WeakPolarHBondContact CB-O 3.45Å; V167-R209 HydrophobicContact CG1-CB 4.18Å; V167-R209 HydrophobicContact CG2-CB 4.03Å; V167-R209 PolarHBondContact N-O 2.77Å; P207-R209 WeakPolarHBondContact O-CG 3.46Å; P207-R209 PolarHBondContact O-N 2.89Å; P207-R209 VanDerWaalsContact O-N 3.12Å
210L98.1Very high95.9Very high0 Ų055.2 Ų55.20%029%0.288CS..EExtended strand (participates in β ladder)trans-92.1153-173.9-60.4-173.4000114.3F126 E128 L129 Q135 I164 K165 L208 M213F126-L210 HydrophobicContact CE2-CB 3.76Å; F126-L210 HydrophobicContact CZ-CB 4.04Å; E128-L210 WeakPolarHBondContact CA-O 2.89Å; L129-L210 PolarHBondContact N-O 2.96Å; L129-L210 PolarHBondContact O-N 2.94Å; L129-L210 VanDerWaalsContact O-N 3.1Å; Q135-L210 HydrophobicContact CG-CD1 4.21Å; I164-L210 HydrophobicContact CB-CD1 4.35Å; I164-L210 HydrophobicContact CB-CD2 3.84Å; I164-L210 HydrophobicContact CD1-CD2 4.35Å; I164-L210 HydrophobicContact CG2-CD1 3.91Å; I164-L210 HydrophobicContact CG2-CD2 4.31Å; K165-L210 WeakPolarHBondContact O-CA 3.49Å; L208-L210 HydrophobicContact CD1-CD2 3.73Å; L208-L210 HydrophobicContact CD1-CG 4.47Å; L208-L210 HydrophobicContact CD2-CD1 4.17Å; L208-L210 HydrophobicContact CD2-CD2 4.08Å; L208-L210 HydrophobicContact CD2-CG 4.2Å; L208-L210 HydrophobicContact CG-CD1 4.41Å; L208-L210 HydrophobicContact CG-CD2 3.69Å; L208-L210 HydrophobicContact CG-CG 3.89Å; L208-L210 PolarHBondContact O-N 3.42Å; L210-M213 HydrophobicContact CD1-CE 3.52Å
211R98.3Very high95.6Very high70 Ų7057.3 Ų57.326%0.26430%0.302SS..EExtended strand (participates in β ladder)trans-130.8-13.5169.374.8-176.6-64.9162.7-4.3114.8T125 F126 K165 N166 V167 F169T125-R211 CarbonylContact C-O 3.56Å; T125-R211 WeakPolarHBondContact CA-O 3.14Å; T125-R211 WeakPolarHBondContact CG2-O 3.3Å; F126-R211 VanDerWaalsContact CE2-C 3.49Å; F126-R211 PolarHBondContact N-O 3.12Å; K165-R211 HydrophobicContact CB-CG 4.26Å; K165-R211 HydrophobicContact CD-CG 4.13Å; K165-R211 HydrophobicContact CG-CG 4.1Å; K165-R211 PolarHBondContact O-N 3.1Å; N166-R211 WeakPolarHBondContact O-CD 3.43Å; N166-R211 VanDerWaalsContact O-CG 3.25Å; N166-R211 WeakPolarHBondContact O-CG 3.43Å; V167-R211 PolarHBondContact O-NH1 3.31Å; F169-R211 VanDerWaalsContact CE1-NH1 3.35Å
212L98.7Very high94.8Very high5 Ų553.8 Ų53.83%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-147.4140.3171.9168.8169.6000108.4E123 R124 F126 K163 I164 K165E123-L212 HydrophobicContact CB-CD2 4.43Å; R124-L212 VanDerWaalsContact O-CA 3.29Å; R124-L212 WeakPolarHBondContact O-CA 3.26Å; F126-L212 VanDerWaalsContact CZ-C 3.44Å; K163-L212 HydrophobicContact CD-CD2 4.35Å; K163-L212 HydrophobicContact CG-CD2 4.26Å; I164-L212 WeakPolarHBondContact CA-O 3.48Å; K165-L212 HydrophobicContact CB-CB 3.88Å; K165-L212 HydrophobicContact CB-CD2 4.32Å; K165-L212 PolarHBondContact N-O 2.69Å; K165-L212 PolarHBondContact O-N 3.22Å
213M98.8Very high93.3Very high0 Ų055 Ų550%031%0.309CS..EExtended strand (participates in β ladder)trans-134.1145.5171.5-173.2-179.1-6700107.9E123 R124 F126 Q135 L138 C139 L142 L162 K163 I164 L196 L210E123-M213 WeakPolarHBondContact CA-O 3.42Å; R124-M213 PolarHBondContact N-O 2.85Å; R124-M213 PolarHBondContact O-N 2.81Å; F126-M213 HydrophobicContact CE1-CB 3.8Å; F126-M213 HydrophobicContact CZ-CB 3.85Å; Q135-M213 HydrophobicContact CB-CE 4.1Å; Q135-M213 HydrophobicContact CG-CE 4.48Å; L138-M213 HydrophobicContact CD2-CB 4.47Å; C139-M213 HydrophobicContact CB-SD 3.68Å; L142-M213 HydrophobicContact CD1-CB 3.87Å; L142-M213 HydrophobicContact CD1-CG 3.78Å; L142-M213 WeakPolarHBondContact CD1-O 3.37Å; L142-M213 HydrophobicContact CD1-SD 4.16Å; L162-M213 HydrophobicContact CD1-CG 4.08Å; L162-M213 HydrophobicContact CD1-SD 4.47Å; K163-M213 CarbonylContact O-C 3.58Å; K163-M213 WeakPolarHBondContact O-CA 3.42Å; I164-M213 HydrophobicContact CG2-CG 4.3Å; L196-M213 HydrophobicContact CD1-CE 3.97Å; L196-M213 HydrophobicContact CD2-CE 3.78Å; L196-M213 HydrophobicContact CD2-SD 4.29Å; L210-M213 HydrophobicContact CD1-CE 3.52Å
214G98.7Very high91.5Very high3 Ų357.2 Ų57.23%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-152150175.900000111.7T122 K163T122-G214 CarbonylContact O-C 3.55Å; T122-G214 WeakPolarHBondContact O-CA 3.41Å; K163-G214 PolarHBondContact N-O 3.31Å; K163-G214 PolarHBondContact O-N 3.23Å
215V98.8Very high89.5Confident1 Ų156.7 Ų56.71%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-121.1132.1175.7-173.80000107.8S121 T122 L142 L146 V160 I188 A192S121-V215 VanDerWaalsContact CA-O 3.26Å; S121-V215 WeakPolarHBondContact CA-O 3.21Å; S121-V215 WeakPolarHBondContact CB-O 3.26Å; T122-V215 PolarHBondContact N-O 3.44Å; T122-V215 PolarHBondContact O-N 2.93Å; L142-V215 HydrophobicContact CB-CB 4.48Å; L142-V215 HydrophobicContact CB-CG2 3.91Å; L146-V215 HydrophobicContact CD2-CB 4.26Å; L146-V215 HydrophobicContact CD2-CG1 3.87Å; V160-V215 HydrophobicContact CG1-CG1 4.12Å; I188-V215 HydrophobicContact CG2-CG1 3.75Å; A192-V215 HydrophobicContact CB-CG1 4.33Å; A192-V215 HydrophobicContact CB-CG2 4.32Å
216R98.7Very high87.6Confident99 Ų9958 Ų5837%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-127.4138.8-179.2169.8174.7-177-110.53109.4S119 M120 V160 T161S119-R216 VanDerWaalsContact CB-NE 3.34Å; S119-R216 VanDerWaalsContact CB-NH2 3.28Å; S119-R216 PolarHBondContact OG-NE 3.23Å; S119-R216 VanDerWaalsContact OG-NE 3.15Å; S119-R216 PolarHBondContact OG-NH2 2.93Å; M120-R216 CarbonylContact O-C 3.51Å; M120-R216 WeakPolarHBondContact O-CA 3.36Å; V160-R216 CarbonylContact C-O 3.48Å; V160-R216 WeakPolarHBondContact CA-O 3.45Å; T161-R216 PolarHBondContact N-O 2.79Å; T161-R216 PolarHBondContact O-N 3.11Å
217I98.4Very high85.5Confident0 Ų055.8 Ų55.80%032%0.32CS..EExtended strand (participates in β ladder)trans-112.6142.8166.9-164.6171.4000110.3S119 M120 L146 L150 T159 V182 I188 F220S119-I217 CarbonylContact C-O 3.56Å; S119-I217 WeakPolarHBondContact CA-O 3.32Å; S119-I217 WeakPolarHBondContact CB-O 3.45Å; M120-I217 HydrophobicContact CB-CG2 4.25Å; M120-I217 PolarHBondContact N-O 3.16Å; M120-I217 PolarHBondContact O-N 3.36Å; L146-I217 HydrophobicContact CD1-CG2 4.44Å; L146-I217 HydrophobicContact CD2-CB 4.35Å; L146-I217 HydrophobicContact CD2-CG2 4.33Å; L150-I217 HydrophobicContact CD1-CD1 4.01Å; L150-I217 HydrophobicContact CD1-CG2 3.78Å; L150-I217 HydrophobicContact CD2-CG2 3.6Å; L150-I217 HydrophobicContact CG-CG2 4.15Å; T159-I217 CarbonylContact O-C 3.6Å; T159-I217 VanDerWaalsContact O-CA 3.27Å; T159-I217 WeakPolarHBondContact O-CA 3.46Å; V182-I217 HydrophobicContact CG2-CD1 3.94Å; V182-I217 WeakPolarHBondContact O-CD1 3.42Å; I188-I217 HydrophobicContact CD1-CD1 4.4Å; I217-F220 HydrophobicContact CG2-CE1 3.7Å; I217-F220 HydrophobicContact CG2-CZ 4.02Å
218S97.9Very high83.5Confident14 Ų1458.3 Ų58.310%0.09834%0.336CS..EExtended strand (participates in β ladder)trans-148.4-177.1176.862.20000111.3K158 T159K158-S218 PolarHBondContact N-O 3.33Å; K158-S218 VanDerWaalsContact N-O 3.17Å; T159-S218 PolarHBondContact N-O 2.96Å; T159-S218 PolarHBondContact O-N 2.96Å
219A95.9Very high81.4Confident51 Ų5165.9 Ų65.942%0.42137%0.373SS..EExtended strand (participates in β ladder)trans54.859.6-170.400000110.7G157 K158G157-A219 WeakPolarHBondContact CA-O 3.26Å; K158-A219 HydrophobicContact CB-CB 4.3Å; K158-A219 PolarHBondContact N-O 3.32Å
220F96.1Very high79.5Confident38 Ų3869.3 Ų69.317%0.16739%0.394CS..EExtended strand (participates in β ladder)trans-62.8146.9174.8-64.6-53.3000111.4R117 S119 M120 L150 L155 K156 I217R117-F220 HydrophobicContact CB-CE2 4.42Å; R117-F220 HydrophobicContact CG-CE2 4.1Å; R117-F220 VanDerWaalsContact O-CD2 3.26Å; R117-F220 WeakPolarHBondContact O-CD2 3.49Å; S119-F220 VanDerWaalsContact CA-CE2 3.48Å; M120-F220 HydrophobicContact CB-CZ 3.83Å; L150-F220 HydrophobicContact CD2-CE1 3.67Å; L150-F220 HydrophobicContact CD2-CZ 4.08Å; L155-F220 HydrophobicContact CB-CD1 4.09Å; L155-F220 HydrophobicContact CB-CE1 3.93Å; L155-F220 HydrophobicContact CB-CZ 4.37Å; L155-F220 HydrophobicContact CD1-CD2 4.41Å; L155-F220 HydrophobicContact CD1-CE1 4.23Å; L155-F220 HydrophobicContact CD1-CE2 3.91Å; L155-F220 HydrophobicContact CD1-CZ 3.82Å; K156-F220 VanDerWaalsContact O-CA 3.3Å; K156-F220 WeakPolarHBondContact O-CA 3.47Å; I217-F220 HydrophobicContact CG2-CE1 3.7Å; I217-F220 HydrophobicContact CG2-CZ 4.02Å
221V91.3Very high78Confident75 Ų7576.5 Ų76.546%0.45543%0.426SS..PPolyproline II helixtrans-94.1117.4173.1179.40000108.2K156 K158 A181K156-V221 PolarHBondContact O-N 3.49Å; K158-V221 HydrophobicContact CG-CG2 4.17Å; A181-V221 HydrophobicContact CB-CG2 3.72Å
222S77.8Confident77Confident58 Ų5876.3 Ų76.341%0.40644%0.435SS..PPolyproline II helixtrans-57.2141.5172.4-52.50000110.3D224S222-D224 PolarHBondContact O-N 2.79Å
223S63Low75.9Confident134 Ų13482.3 Ų82.394%0.93747%0.466SS*.SBendtrans-61.9-30.3175.448.60000112.2G225S223-G225 PolarHBondContact O-N 3.2Å; S223-G225 VanDerWaalsContact O-N 3.13Å
224D55Low74.7Confident94 Ų9487.2 Ų87.250%0.50349%0.491SS..SBendtrans-67.9100.5165.8-141.138.4000108.5S222 K226S222-D224 PolarHBondContact O-N 2.79Å; D224-K226 PolarHBondContact O-N 3.14Å; D224-K226 WeakPolarHBondContact OD2-CD 3.37Å; D224-K226 VanDerWaalsContact OD2-CE 3.3Å; D224-K226 WeakPolarHBondContact OD2-CE 3.37Å; D224-K226 IonicContact OD2-NZ 3.62Å; D224-K226 PolarHBondContact OD2-NZ 3.36Å
225G48.2Very low73.1Confident72 Ų7289.3 Ų89.374%0.74251%0.505SS*.  trans-64.820.8-168.600000117.2S223 T227S223-G225 PolarHBondContact O-N 3.2Å; S223-G225 VanDerWaalsContact O-N 3.13Å; G225-T227 PolarHBondContact O-N 3.27Å
226K47.9Very low71.5Confident156 Ų15696.6 Ų96.668%0.67854%0.537SS*.  trans-68.992.1168.8-66.9160.1-173156.50108.3D224D224-K226 PolarHBondContact O-N 3.14Å; D224-K226 WeakPolarHBondContact OD2-CD 3.37Å; D224-K226 VanDerWaalsContact OD2-CE 3.3Å; D224-K226 WeakPolarHBondContact OD2-CE 3.37Å; D224-K226 IonicContact OD2-NZ 3.62Å; D224-K226 PolarHBondContact OD2-NZ 3.36Å
227T48.8Very low70.2Confident105 Ų10598.1 Ų98.164%0.64455%0.551SS**  trans-50.4136.8159.445.50000108.4G225 M229G225-T227 PolarHBondContact O-N 3.27Å; T227-M229 PolarHBondContact O-N 2.89Å
228P50Low68.3Low132 Ų132104 Ų10486%0.85758%0.579SS**  trans-69.983.2173.428.6-33.5000108.1Q230P228-Q230 PolarHBondContact O-N 3.47Å
229M51.7Low66.2Low161 Ų161110.1 Ų110.179%0.79361%0.61SS**PPolyproline II helixtrans-54.5127173.7-71.2-173.472.200108T227 K231T227-M229 PolarHBondContact O-N 2.89Å; M229-K231 PolarHBondContact O-N 3.04Å
230Q58.2Low63.9Low188 Ų188111.2 Ų111.288%0.87963%0.626SS**PPolyproline II helixtrans-51.6117168178.1177.2-11.400107.6P228 S232P228-Q230 PolarHBondContact O-N 3.47Å; Q230-S232 PolarHBondContact O-N 2.81Å; Q230-S232 VanDerWaalsContact O-N 3.16Å
231K66.7Low61.3Low151 Ų151118.3 Ų118.366%0.65766%0.657SS**PPolyproline II helixtrans-52.9126.2177.4-70.8-175.7178.9-178.10107.6M229M229-K231 PolarHBondContact O-N 3.04Å
232S76.7Confident58.8Low66 Ų66125.9 Ų125.946%0.46268%0.677SS.*PPolyproline II helixtrans-56.8152.5177.263.70000109.6Q230 I234 S235 F236Q230-S232 PolarHBondContact O-N 2.81Å; Q230-S232 VanDerWaalsContact O-N 3.16Å; S232-I234 PolarHBondContact O-N 3.36Å; S232-I234 VanDerWaalsContact O-N 3.08Å; S232-S235 WeakPolarHBondContact O-CA 3.43Å; S232-S235 WeakPolarHBondContact O-CB 3.41Å; S232-S235 PolarHBondContact O-N 2.64Å; S232-S235 PolarHBondContact OG-N 2.71Å; S232-F236 PolarHBondContact O-N 3.27Å
233I74.7Confident56.7Low131 Ų131130.5 Ų130.567%0.67270%0.697SS**Hα-helixtrans-55.7-30.5176.5-166.7164.6000111.5F236 L237I233-F236 PolarHBondContact O-N 2.72Å; I233-L237 HydrophobicContact CG1-CD1 4.17Å; I233-L237 WeakPolarHBondContact O-CB 3.26Å; I233-L237 VanDerWaalsContact O-CG 3.24Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.77Å
234I73.2Confident55.4Low103 Ų103132.5 Ų132.553%0.52869%0.692SS.*Hα-helixtrans-61.2-48.2171.1-56.9174.5000111.3S232 F236 L237 Q238S232-I234 PolarHBondContact O-N 3.36Å; S232-I234 VanDerWaalsContact O-N 3.08Å; I234-F236 VanDerWaalsContact C-N 3.28Å; I234-F236 PolarHBondContact O-N 3.01Å; I234-L237 PolarHBondContact O-N 2.74Å; I234-Q238 HydrophobicContact CG2-CG 4.28Å; I234-Q238 WeakPolarHBondContact O-CB 3.49Å; I234-Q238 WeakPolarHBondContact O-CG 3.41Å; I234-Q238 PolarHBondContact O-N 3.13Å
235S66.3Low54.7Low46 Ų46133.2 Ų133.232%0.32270%0.704SS.*Hα-helixtrans-64.8-28.7176.5173.20000113.3S232S232-S235 WeakPolarHBondContact O-CA 3.43Å; S232-S235 WeakPolarHBondContact O-CB 3.41Å; S232-S235 PolarHBondContact O-N 2.64Å; S232-S235 PolarHBondContact OG-N 2.71Å
236F65.8Low53.8Low154 Ų154141.5 Ų141.568%0.67571%0.713SS**Hα-helixtrans-71.2-47.9172.1-174.3-95.9000111.3S232 I233 I234 Q238 L239S232-F236 PolarHBondContact O-N 3.27Å; I233-F236 PolarHBondContact O-N 2.72Å; I234-F236 VanDerWaalsContact C-N 3.28Å; I234-F236 PolarHBondContact O-N 3.01Å; F236-Q238 VanDerWaalsContact C-N 3.31Å; F236-Q238 PolarHBondContact O-N 2.96Å; F236-L239 WeakPolarHBondContact O-CB 3.45Å; F236-L239 PolarHBondContact O-N 2.85Å
237L71.3Confident53.2Low131 Ų131139.5 Ų139.569%0.68672%0.719SS**Hα-helixtrans-67.8-26.2179.6-67.9168.1000113.6I233 I234 L239I233-L237 HydrophobicContact CG1-CD1 4.17Å; I233-L237 WeakPolarHBondContact O-CB 3.26Å; I233-L237 VanDerWaalsContact O-CG 3.24Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.77Å; I234-L237 PolarHBondContact O-N 2.74Å; L237-L239 VanDerWaalsContact C-N 3.31Å; L237-L239 PolarHBondContact O-N 2.92Å
238Q58.6Low52.2Low124 Ų124139.8 Ų139.858%0.57973%0.725SS**G310 helixtrans-76.6-11-179.7-79172.6-1700114.7I234 F236 G240 K241I234-Q238 HydrophobicContact CG2-CG 4.28Å; I234-Q238 WeakPolarHBondContact O-CB 3.49Å; I234-Q238 WeakPolarHBondContact O-CG 3.41Å; I234-Q238 PolarHBondContact O-N 3.13Å; F236-Q238 VanDerWaalsContact C-N 3.31Å; F236-Q238 PolarHBondContact O-N 2.96Å; Q238-G240 PolarHBondContact O-N 3.29Å; Q238-K241 PolarHBondContact O-N 3.41Å; Q238-K241 VanDerWaalsContact O-N 3.09Å
239L53.5Low51.4Low143 Ų143138.8 Ų138.875%0.74972%0.718SS**G310 helixtrans-62.5-11.8-175.3-158.168000114.2F236 L237F236-L239 WeakPolarHBondContact O-CB 3.45Å; F236-L239 PolarHBondContact O-N 2.85Å; L237-L239 VanDerWaalsContact C-N 3.31Å; L237-L239 PolarHBondContact O-N 2.92Å
240G46.9Very low50.6Low74 Ų74138.7 Ų138.776%0.76372%0.719SS**G310 helixtrans-76.7-10.2173.900000115.8Q238Q238-G240 PolarHBondContact O-N 3.29Å
241K42.4Very low49.1Very low187 Ų187135.6 Ų135.681%0.81371%0.713SS**SBendtrans-102.7116.6175.6-69.9-173.9177.5-177.40110.1Q238Q238-K241 PolarHBondContact O-N 3.41Å; Q238-K241 VanDerWaalsContact O-N 3.09Å
242R37.4Very low47.3Very low233 Ų233136.8 Ų136.888%0.87972%0.721SS**PPolyproline II helixtrans-73.7125.2-175.3-65.2177.6-179.3143.51111.6
243D34.5Very low45Very low155 Ų155145.6 Ų145.683%0.82974%0.744SS**PPolyproline II helixtrans-69.1126.3168.9-76.6-46.2000111.4
244H36.5Very low42.5Very low177 Ų177148.6 Ų148.682%0.81975%0.752SS**  trans-130.848.6172.3-89.711.1000111.9
245S39Very low40.4Very low108 Ų108149.4 Ų149.476%0.75576%0.764SS**  trans-167.9106.6159.243.70000113
246R30.1Very low38.6Very low247 Ų247156.6 Ų156.693%0.93279%0.793SS**  trans-157.471.5156.3-122.4174.6-173.1-147.7-1.7113
247S34.2Very low36.7Very low114 Ų114155.9 Ų155.980%0.79780%0.801SS**PPolyproline II helixtrans-62.6137.4152.541.20000109.1P249S247-P249 WeakPolarHBondContact O-CD 3.42Å
248S29Very low34.5Very low110 Ų110153 Ų15377%0.76980%0.803SS**PPolyproline II helixtrans-84.7124.3177.5-53.40000110.5I250S248-I250 PolarHBondContact O-N 3.23Å
249P33.4Very low33Very low112 Ų112154.1 Ų154.173%0.72781%0.812SS**PPolyproline II helixtrans-70.2127.5167.1-14.730.1000109.9S247 T251S247-P249 WeakPolarHBondContact O-CD 3.42Å; P249-T251 PolarHBondContact O-N 3.4Å
250I34.3Very low31.7Very low158 Ų158154.7 Ų154.781%0.8182%0.816SS**  trans-82.8104.6164.6-62174.5000107S248S248-I250 PolarHBondContact O-N 3.23Å
251T27.8Very low30.7Very low123 Ų123157 Ų15776%0.75582%0.819SS**  trans-97.8112.7174.238.10000110.8P249 R253P249-T251 PolarHBondContact O-N 3.4Å; T251-R253 PolarHBondContact O-N 2.89Å
252H28.1Very low29.9Very low177 Ų177154.5 Ų154.582%0.81981%0.814SS**  trans-61.1132.4165.4-80.8-110.3000109.7
253R27.3Very low29.4Very low251 Ų251152.2 Ų152.295%0.94781%0.813SS**  trans-69.5132.6165.9-83.6-177.9165.8-178.9-5.6109.7T251T251-R253 PolarHBondContact O-N 2.89Å
254K23.1Very low29Very low194 Ų194149.7 Ų149.784%0.84381%0.808SS**  trans-118.9135.6160.1-165.2174.8-177.7-176.70106.7
255P30Very low28.6Very low120 Ų120147.6 Ų147.678%0.77981%0.807SS**  trans-77.4150.3-171.530.8-35.5000112.6
256E27.2Very low28Very low196 Ų196150.6 Ų150.692%0.91681%0.809SS**  trans-96.7158.3167.2-64.3178.6145.700109.9
257V26.6Very low27.8Very low140 Ų140144.2 Ų144.285%0.84880%0.798SS**  trans-120.2135.5-179.1175.40000109.4
258G25.4Very low27.5Very low70 Ų70143.3 Ų143.372%0.72279%0.791SS**  trans-150.3126.8172.200000111
259N26.5Very low27.5Very low147 Ų147146.3 Ų146.379%0.78679%0.793SS**  trans-76.2172.9174.5-60.2-21000110.1
260L26.2Very low27.2Very low156 Ų156147.3 Ų147.382%0.81779%0.792SS**  cis-162.2142.216-168.979000109.9
261C26.5Very low26.9Very low123 Ų123145 Ų14583%0.83179%0.785SS**  trans-173.2161.9142.552.30000113
262D24.7Very low26.7Very low134 Ų134146.7 Ų146.772%0.71779%0.789SS**  trans-71144.5-160.4-62.8-87000118.3
263H27.1Very low26.5Very low184 Ų184145.8 Ų145.885%0.85279%0.791SS**  -172.5132.189.1-95.6-68000115.3
264S25.8Very low27.8Very low103 Ų103138.9 Ų138.972%0.7278%0.778SS**  trans-9.7126.1157.2158.50000119.8
265V27.4Very low28.9Very low133 Ų133135 Ų13581%0.80677%0.773SS**  -146.6138.9118.41760000110.7
266Q28.1Very low28.8Very low171 Ų171135.3 Ų135.380%0.79977%0.772SS**  trans-22.2154.5159.6-71.1173-5.100118.7
267T25.5Very low28.7Very low112 Ų112133.7 Ų133.769%0.68777%0.765SS**  cis-168.2169.2-0.4-890000109.8
268S28.3Very low28.8Very low95 Ų95133.4 Ų133.466%0.66476%0.758SS**  trans71.1119.2167.630.30000117.4
269Q27.9Very low28.7Very low174 Ų174133.8 Ų133.881%0.81376%0.762SS**  76.813775.3-76.2-173.6-15.800113.2
270L27.3Very low29Very low132 Ų132135 Ų13569%0.69176%0.763SS**  cis-160.1148.513.6-115.5162.3000112.3
271V27.1Very low29.1Very low111 Ų111135.7 Ų135.767%0.67376%0.759SS**  trans36.7142.8155.2-76.70000127.5
272D25.3Very low29.2Very low157 Ų157137.3 Ų137.384%0.8476%0.755SS**  trans82.4163.2135.1-63.8-13.5000124.3
273D23Very low29.1Very low159 Ų159138.1 Ų138.185%0.8576%0.759SS**  trans-125.4-168.7-145.7-132.80.3000112.1
274P55.1Low29.1Very low105 Ų105138.4 Ų138.468%0.68276%0.758SS**  trans-91.8-175.5-155.343-44000114.7
275P46.8Very low29.1Very low113 Ų113139.3 Ų139.373%0.73476%0.759SS**  -160.4161.39245.2-25.6000119.4
276V26.6Very low28.8Very low127 Ų127137.4 Ų137.477%0.7774%0.74SS**  67.3124.2127.8167.20000125.3
277E26Very low28.6Very low162 Ų162140.3 Ų140.376%0.75774%0.744SS**  trans75.5130.7140.4-80-167.7145.200129.6
278N27.4Very low28.5Very low134 Ų134144.5 Ų144.572%0.71775%0.747SS**  65.1120.1129.8-67-23000127.1
279G24.8Very low28.2Very low77 Ų77144.8 Ų144.879%0.79475%0.748SS**  104.8156.4126.200000118.6
280Q32.2Very low28.2Very low173 Ų173146 Ų14681%0.80875%0.751SS**  cis-168.8177.6-19.1-144.3-16739.400110.3
281K28.1Very low28.2Very low170 Ų170146 Ų14674%0.73976%0.759SS**  trans79.3150.6165.7-67.8177.5-177.7173.40119.2
282Q28.1Very low28.2Very low157 Ų157151.9 Ų151.973%0.73477%0.769SS**  cis-169.3143.5-29.7-122.8172.19.400112.8
283N24.2Very low28.2Very low152 Ų152152.5 Ų152.581%0.81377%0.772SS**  trans158.6121.5146.8-85.1-22.9000108.2
284K26.2Very low28.8Very low190 Ų190150.8 Ų150.883%0.82677%0.767SS**  cis74.412536.4-135.6-161.7-175.4-177.40110.4
285V24.9Very low27.4Very low121 Ų121149.2 Ų149.273%0.73377%0.77SS**  cis-151.8158.631.3168.70000108.1
286F21.9Very low26.8Very low94 Ų94153.4 Ų153.441%0.41278%0.78SS.*  cis-174.6165.6-28-177.6-127.2000108.3
287W24.3Very low27.2Very low232 Ų232155.6 Ų155.688%0.87978%0.782SS**  trans82.7148.4139.7-52.7141.5000122.7
288R22.9Very low27.7Very low200 Ų200153 Ų15376%0.75578%0.779SS**  cis-160.8117.2-26.5-165.6172.2-159.3-136.16.3114.8
289S23.1Very low28.8Very low100 Ų100155.8 Ų155.870%0.69979%0.788SS**  trans43113.8144.2-51.20000125.2
290K26.9Very low29.9Very low200 Ų200156.2 Ų156.287%0.8777%0.769SS**  51.3138.7118.4-76.8-177.1177177.50121.5
291P27.3Very low30.8Very low133 Ų133150.4 Ų150.486%0.86475%0.748SS**  -134.4-169.681.240.1-28000116.1
292R26.7Very low31.6Very low233 Ų233149.8 Ų149.888%0.87975%0.745SS**  trans-79.4157.9-176.2-69177.9171-179.1-3.4113.2
293L25.6Very low32.2Very low170 Ų170150.1 Ų150.189%0.8975%0.745SS**  -142.5159.7129.9-112.3170.1000110.2
294T36.2Very low33.6Very low123 Ų123147.9 Ų147.976%0.75573%0.73SS**  trans-108.8131.9-175.244.20000111.3
295G26.4Very low35Very low73 Ų73146.1 Ų146.175%0.75372%0.718SS**  trans-175.3100.4172.800000110.6E297G295-E297 PolarHBondContact O-N 3.25Å
296E33.2Very low36.1Very low200 Ų200142.4 Ų142.494%0.93570%0.699SS**  trans-81.3104.3165.8-67.2-171.8134.500107.8
297E34.8Very low37.8Very low174 Ų174143.1 Ų143.181%0.81370%0.704SS**  trans-66133.6170-75.9-153.1123.400110.2G295 Q299G295-E297 PolarHBondContact O-N 3.25Å; E297-Q299 PolarHBondContact O-N 3.43Å
298P37.5Very low39.7Very low108 Ų108133.9 Ų133.970%0.70168%0.677SS**  trans-64.7129.8178.327.2-33.8000109.6Q300P298-Q300 VanDerWaalsContact C-N 3.31Å; P298-Q300 PolarHBondContact O-N 2.98Å
299Q49.3Very low41.4Very low192 Ų192130.5 Ų130.590%0.89767%0.668SS**  trans-64.687.9-179.9-71-167.5-5.500111.6E297 S301E297-Q299 PolarHBondContact O-N 3.43Å; Q299-S301 PolarHBondContact O-N 2.89Å
300Q48.8Very low42.7Very low85 Ų85133.2 Ų133.240%0.39766%0.662SS.*  trans-55.9132.6179.3-65.3-169.222.100110.6P298 Q304 R305P298-Q300 VanDerWaalsContact C-N 3.31Å; P298-Q300 PolarHBondContact O-N 2.98Å; Q300-Q304 HydrophobicContact CB-CB 3.95Å; Q300-R305 HydrophobicContact CB-CG 4.23Å; Q300-R305 VanDerWaalsContact O-CZ 3.26Å; Q300-R305 PolarHBondContact O-NE 3.43Å; Q300-R305 PolarHBondContact O-NH2 3.08Å
301S50.1Low44.2Very low52 Ų52128.2 Ų128.236%0.36465%0.645SS.*  trans-59.8162.2177.667.10000111.8Q299 F303 Q304 R305Q299-S301 PolarHBondContact O-N 2.89Å; S301-F303 PolarHBondContact O-N 3.13Å; S301-Q304 VanDerWaalsContact CB-OE1 3.32Å; S301-Q304 PolarHBondContact O-N 3.37Å; S301-Q304 PolarHBondContact OG-N 3.27Å; S301-Q304 PolarHBondContact OG-OE1 2.99Å; S301-R305 PolarHBondContact O-N 3.45Å
302F45.8Very low45.8Very low156 Ų156127.8 Ų127.868%0.68463%0.631SS**Hα-helixtrans-52.8-38.5175.8177.6-98.4000112.5R305 A306F302-R305 PolarHBondContact O-N 3.47Å; F302-A306 VanDerWaalsContact O-CB 3.29Å; F302-A306 WeakPolarHBondContact O-CB 3.37Å; F302-A306 PolarHBondContact O-N 3.29Å
303F40.8Very low47Very low165 Ų165122.4 Ų122.472%0.72462%0.619SS**Hα-helixtrans-70.3-37.3177.9-65.6-78.7000113.1S301 A306 H307S301-F303 PolarHBondContact O-N 3.13Å; F303-A306 PolarHBondContact O-N 2.86Å; F303-H307 WeakPolarHBondContact O-CB 3.4Å; F303-H307 PolarHBondContact O-N 3.21Å
304Q53.8Low48.1Very low105 Ų105120.7 Ų120.749%0.49161%0.607SS.*Hα-helixtrans-67.3-42.9173.9-74.9158.4-52.200111.2Q300 S301 A306 H307 A308Q300-Q304 HydrophobicContact CB-CB 3.95Å; S301-Q304 VanDerWaalsContact CB-OE1 3.32Å; S301-Q304 PolarHBondContact O-N 3.37Å; S301-Q304 PolarHBondContact OG-N 3.27Å; S301-Q304 PolarHBondContact OG-OE1 2.99Å; Q304-A306 PolarHBondContact O-N 3.41Å; Q304-H307 PolarHBondContact O-N 2.96Å; Q304-H307 VanDerWaalsContact O-N 3.17Å; Q304-A308 WeakPolarHBondContact O-CB 3.31Å; Q304-A308 PolarHBondContact O-N 3.32Å
305R55.6Low48.8Very low153 Ų153119 Ų11958%0.57761%0.605SS**Hα-helixtrans-63.6-38.1172.7-85.4178.6-85.2172.3-10.6113Q300 S301 F302 H307 K309Q300-R305 HydrophobicContact CB-CG 4.23Å; Q300-R305 VanDerWaalsContact O-CZ 3.26Å; Q300-R305 PolarHBondContact O-NE 3.43Å; Q300-R305 PolarHBondContact O-NH2 3.08Å; S301-R305 PolarHBondContact O-N 3.45Å; F302-R305 PolarHBondContact O-N 3.47Å; R305-H307 VanDerWaalsContact C-N 3.31Å; R305-K309 VanDerWaalsContact O-CB 3.22Å; R305-K309 WeakPolarHBondContact O-CB 3.32Å; R305-K309 PolarHBondContact O-N 3.41Å
306A47.3Very low49.8Very low42 Ų42118.8 Ų118.835%0.34760%0.597SS.*Hα-helixtrans-69.1-28.4173.800000113F302 F303 Q304 R310F302-A306 VanDerWaalsContact O-CB 3.29Å; F302-A306 WeakPolarHBondContact O-CB 3.37Å; F302-A306 PolarHBondContact O-N 3.29Å; F303-A306 PolarHBondContact O-N 2.86Å; Q304-A306 PolarHBondContact O-N 3.41Å; A306-R310 WeakPolarHBondContact O-CB 3.45Å; A306-R310 PolarHBondContact O-N 3.19Å
307H57.6Low50.1Low109 Ų109116.8 Ų116.851%0.50559%0.587SS.*Hα-helixtrans-78.1-46.4175-167.8-78.8000111.9F303 Q304 R305 K309 R310 L311F303-H307 WeakPolarHBondContact O-CB 3.4Å; F303-H307 PolarHBondContact O-N 3.21Å; Q304-H307 PolarHBondContact O-N 2.96Å; Q304-H307 VanDerWaalsContact O-N 3.17Å; R305-H307 VanDerWaalsContact C-N 3.31Å; H307-K309 PolarHBondContact O-N 3.39Å; H307-R310 WeakPolarHBondContact O-CB 3.48Å; H307-R310 PolarHBondContact O-N 3.45Å; H307-R310 VanDerWaalsContact O-N 3.12Å; H307-L311 PolarHBondContact O-N 3.4Å
308A63.7Low50.4Low38 Ų38114 Ų11431%0.31458%0.584SS.*Hα-helixtrans-56.9-49.117300000110.5Q304 R310 L311 E312Q304-A308 WeakPolarHBondContact O-CB 3.31Å; Q304-A308 PolarHBondContact O-N 3.32Å; A308-R310 PolarHBondContact O-N 3.2Å; A308-L311 CarbonylContact O-C 3.58Å; A308-L311 WeakPolarHBondContact O-CA 3.47Å; A308-L311 WeakPolarHBondContact O-CB 3.45Å; A308-L311 PolarHBondContact O-N 3.42Å; A308-E312 WeakPolarHBondContact O-CG 3.35Å; A308-E312 PolarHBondContact O-N 2.85Å
309K59Low50.3Low130 Ų130113.8 Ų113.857%0.56559%0.585SS**Hα-helixtrans-65.6-22.5177.1-169157.2-173161.70114.3R305 H307 E312 L313R305-K309 VanDerWaalsContact O-CB 3.22Å; R305-K309 WeakPolarHBondContact O-CB 3.32Å; R305-K309 PolarHBondContact O-N 3.41Å; H307-K309 PolarHBondContact O-N 3.39Å; K309-E312 WeakPolarHBondContact CA-OE2 3.46Å; K309-L313 HydrophobicContact CG-CD1 4.43Å; K309-L313 WeakPolarHBondContact O-CB 3.44Å; K309-L313 WeakPolarHBondContact O-CD1 3.39Å; K309-L313 WeakPolarHBondContact O-CG 3.18Å; K309-L313 PolarHBondContact O-N 3.4Å; K309-L313 VanDerWaalsContact O-N 3.15Å
310R50.9Low49.7Very low156 Ų156110.6 Ų110.659%0.58958%0.581SS**Hα-helixtrans-75.3-39.4170.5-172.9177.8-64.1153.61111.5A306 H307 A308 L313 Q314A306-R310 WeakPolarHBondContact O-CB 3.45Å; A306-R310 PolarHBondContact O-N 3.19Å; H307-R310 WeakPolarHBondContact O-CB 3.48Å; H307-R310 PolarHBondContact O-N 3.45Å; H307-R310 VanDerWaalsContact O-N 3.12Å; A308-R310 PolarHBondContact O-N 3.2Å; R310-L313 PolarHBondContact O-N 3.32Å; R310-Q314 WeakPolarHBondContact O-CB 3.35Å; R310-Q314 VanDerWaalsContact O-CG 3.28Å; R310-Q314 WeakPolarHBondContact O-CG 3.42Å; R310-Q314 PolarHBondContact O-N 3.3Å; R310-Q314 PolarHBondContact O-OE1 3.04Å
311L57.1Low48.9Very low95 Ų95115.4 Ų115.450%0.49760%0.604SS.*Hα-helixtrans-66.1-41.5172.7-72.2166.8000111.8H307 A308 L313 Q314 A315H307-L311 PolarHBondContact O-N 3.4Å; A308-L311 CarbonylContact O-C 3.58Å; A308-L311 WeakPolarHBondContact O-CA 3.47Å; A308-L311 WeakPolarHBondContact O-CB 3.45Å; A308-L311 PolarHBondContact O-N 3.42Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.01Å; L311-Q314 CarbonylContact O-C 3.51Å; L311-Q314 PolarHBondContact O-N 3.17Å; L311-Q314 VanDerWaalsContact O-N 3.16Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.83Å
312E62.3Low47.9Very low125 Ų125120.7 Ų120.758%0.58463%0.627SS**Hα-helixtrans-57.8-45.5172.7-70.2172.9155.700111.4A308 K309 Q314 A315 A316A308-E312 WeakPolarHBondContact O-CG 3.35Å; A308-E312 PolarHBondContact O-N 2.85Å; K309-E312 WeakPolarHBondContact CA-OE2 3.46Å; E312-Q314 VanDerWaalsContact C-N 3.31Å; E312-Q314 PolarHBondContact O-N 3.14Å; E312-A315 CarbonylContact O-C 3.55Å; E312-A315 PolarHBondContact O-N 2.86Å; E312-A316 WeakPolarHBondContact O-CB 3.37Å; E312-A316 PolarHBondContact O-N 3.19Å
313L51.8Low47.3Very low119 Ų119121.5 Ų121.562%0.62363%0.633SS**Hα-helixtrans-68.8-27.1176.7-72.6168.6000113.2K309 R310 L311K309-L313 HydrophobicContact CG-CD1 4.43Å; K309-L313 WeakPolarHBondContact O-CB 3.44Å; K309-L313 WeakPolarHBondContact O-CD1 3.39Å; K309-L313 WeakPolarHBondContact O-CG 3.18Å; K309-L313 PolarHBondContact O-N 3.4Å; K309-L313 VanDerWaalsContact O-N 3.15Å; R310-L313 PolarHBondContact O-N 3.32Å; L311-L313 VanDerWaalsContact C-N 3.34Å; L311-L313 PolarHBondContact O-N 3.01Å
314Q49.3Very low46.7Very low135 Ų135117 Ų11763%0.63163%0.634SS**Hα-helixtrans-81.1-19.3172.8-73175.9-51.700113.1R310 L311 E312R310-Q314 WeakPolarHBondContact O-CB 3.35Å; R310-Q314 VanDerWaalsContact O-CG 3.28Å; R310-Q314 WeakPolarHBondContact O-CG 3.42Å; R310-Q314 PolarHBondContact O-N 3.3Å; R310-Q314 PolarHBondContact O-OE1 3.04Å; L311-Q314 CarbonylContact O-C 3.51Å; L311-Q314 PolarHBondContact O-N 3.17Å; L311-Q314 VanDerWaalsContact O-N 3.16Å; E312-Q314 VanDerWaalsContact C-N 3.31Å; E312-Q314 PolarHBondContact O-N 3.14Å
315A50.4Low45.3Very low86 Ų86118.1 Ų118.171%0.71165%0.652SS**SBendtrans-93.33.117300000113.2L311 E312L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.83Å; E312-A315 CarbonylContact O-C 3.55Å; E312-A315 PolarHBondContact O-N 2.86Å
316A47.2Very low43.9Very low70 Ų70120.2 Ų120.258%0.57967%0.668SS**  trans-106.93.9-178.500000114E312E312-A316 WeakPolarHBondContact O-CB 3.37Å; E312-A316 PolarHBondContact O-N 3.19Å
317E40Very low43Very low158 Ų158125.9 Ų125.974%0.73869%0.688SS**SBendtrans-67.8125.9164-73.4-72.8144.500108.9S319E317-S319 PolarHBondContact O-N 3.2Å
318P39.9Very low42Very low115 Ų115126 Ų12675%0.74770%0.698SS**PPolyproline II helixtrans-75.4121.1-175.529.2-33.5000111.6
319S35.3Very low40.4Very low103 Ų103129.8 Ų129.872%0.7272%0.717SS**PPolyproline II helixtrans-60.5136.5162.652.50000110.2E317E317-S319 PolarHBondContact O-N 3.2Å
320P36.7Very low39.9Very low125 Ų125129.2 Ų129.281%0.81273%0.726SS**PPolyproline II helixtrans-55.4142.6172-23.934000111.4
321Q32.1Very low38.7Very low187 Ų187128.8 Ų128.887%0.87474%0.741SS**PPolyproline II helixtrans-80.4136.4171.8-64.8-174.9-89.800109.9
322D30.4Very low37.3Very low162 Ų162130.5 Ų130.587%0.86676%0.755SS**PPolyproline II helixtrans-99.6122174-176.626.3000108.5
323E31.3Very low35.5Very low173 Ų173130.2 Ų130.281%0.80876%0.762SS**  trans-150.2115.6-176.2-93.1-77.4163.700109.4
324G28.3Very low35.3Very low72 Ų72129.1 Ų129.174%0.74276%0.762SS**  trans90111.8157.500000117.5
325C24.7Very low34.4Very low128 Ų128128.8 Ų128.887%0.86577%0.765SS**  trans-64.5145.3160.9-56.60000111.4
326E26.1Very low33.4Very low197 Ų197131.9 Ų131.992%0.92177%0.769SS**  -167142.2117-106.8171.7-168.600111.2
327E27.9Very low32.5Very low161 Ų161132 Ų13275%0.75278%0.778SS**  trans-105.7148.6164.5-137.8-146.7-105.700107.4V329E327-V329 PolarHBondContact OE2-N 3.37Å
328P37.7Very low32Very low112 Ų112130 Ų13073%0.72778%0.776SS**  -153.5143.892.937-18.3000117.6
329V30Very low31.5Very low116 Ų116133.1 Ų133.170%0.70378%0.781SS**  trans67.4139.5132177.90000119.8E327E327-V329 PolarHBondContact OE2-N 3.37Å
330P47.8Very low31.2Very low118 Ų118132.7 Ų132.777%0.76678%0.778SS**  trans-99.4166.3-168.839.4-37.7000116
331V26.5Very low30.7Very low148 Ų148132.9 Ų132.990%0.89777%0.771SS**  trans-129.5143170.6-178.60000113
332V26.7Very low30.5Very low130 Ų130132.1 Ų132.179%0.78877%0.765SS**  trans-63.4162.9-170.8177.90000115.9
333T24.5Very low30.3Very low119 Ų119132.3 Ų132.373%0.7376%0.761SS**  trans-64.5-164171.763.90000114.1
334P49Very low30.2Very low97 Ų97127.8 Ų127.863%0.6375%0.753SS**  cis-132.9178.8-19.726.7-4.3000114.1
335N29.2Very low30.2Very low128 Ų128131.4 Ų131.468%0.68476%0.755SS**  161.4152114.9-88.9-27.8000115.9
336N29.8Very low30.3Very low151 Ų151130.2 Ų130.281%0.80774%0.744SS**  trans36.9137.2148.4-51.8-14.5000119.9
337G28.5Very low30.5Very low73 Ų73127.6 Ų127.675%0.75374%0.737SS**  cis158.8-172.113.500000107.8
338T29.7Very low30.4Very low114 Ų114127 Ų12770%0.69974%0.738SS**  cis-163.7131.31.7-54.60000108
339E28.9Very low29.9Very low181 Ų181126.5 Ų126.585%0.84674%0.737SS**  trans58.8179.3158.2-72.2178.1170.800117.5
340S28.7Very low29.8Very low94 Ų94127.3 Ų127.366%0.65774%0.742SS**  cis-158.6164.9-9.9-118.50000108.4
341L27.2Very low28.9Very low130 Ų130127.6 Ų127.668%0.68174%0.741SS**  cis-179.2129.2-27.5176.166.2000110.9
342K26.8Very low29.1Very low170 Ų170128.5 Ų128.574%0.73974%0.736SS**  trans66.9174.8160.9-74174-176.7169.20119.7
343Q28Very low29.1Very low166 Ų166127.8 Ų127.878%0.77673%0.728SS**  cis175.9178.5-37.1-167.4166.218.100108.7
344A27.6Very low29.3Very low79 Ų79128.7 Ų128.765%0.65373%0.727SS**  trans80.2128167.400000116
345N29.1Very low28.5Very low147 Ų147128.7 Ų128.779%0.78673%0.729SS**  88.2149.354.6-71.722.7000111.7
346T27Very low28.6Very low103 Ų103130.1 Ų130.163%0.63273%0.732SS**  cis-164.2168.96.44.20000112.5
347D29.3Very low28.7Very low143 Ų143129.6 Ų129.677%0.76573%0.729SS**  trans61.3165.3150.5-48.6-28.9000120.1
348D25.8Very low28.6Very low147 Ų147133.8 Ų133.879%0.78673%0.729SS**  cis-149.8-173.511.2-160.26.2000114.4
349C27.1Very low28.6Very low103 Ų103135.9 Ų135.970%0.69674%0.736SS**  trans-73.5-173.5-171.5-57.10000116.2
350T29Very low28.6Very low132 Ų132131.6 Ų131.681%0.8173%0.731SS**  cis-140.2170.920.341.80000112
351V28.8Very low28.5Very low124 Ų124132.5 Ų132.575%0.75274%0.737SS**  cis106.8145.415.2177.70000115.3
352Q30.7Very low28.5Very low167 Ų167134.4 Ų134.478%0.7874%0.742SS**  trans88.8140-176.7-57.2-165.4-91.100117.9
353D25.8Very low28.6Very low116 Ų116132.4 Ų132.462%0.6274%0.744SS**  cis-158151.1-9-109.8-7000114.4
354L29.6Very low28.7Very low137 Ų137131.2 Ų131.272%0.71774%0.738SS**  trans30.4152.9136.3-58.7178.3000122.2
355S31.3Very low29.2Very low97 Ų97133.6 Ų133.668%0.67875%0.747SS**  cis-176.5177.7-448.20000109.2
356E32.2Very low29.2Very low158 Ų158133.8 Ų133.874%0.73874%0.743SS**  cis-166.2-166.8-28.6-96.7169.898.400108.7
357N30.7Very low29.3Very low141 Ų141133.9 Ų133.975%0.75475%0.754SS**  trans74.5142.2172.2-72.97.9000119.1
358E28.3Very low29.6Very low161 Ų161132.4 Ų132.475%0.75276%0.755SS**  cis-148.1175.11.9-134.7178160.500114.8
359L29.6Very low29.7Very low158 Ų158132 Ų13283%0.82776%0.758SS**  trans-41.9154.7-179.1-92.155.4000117.5
360A27.1Very low30Very low91 Ų91132.6 Ų132.675%0.75276%0.764SS**  cis-163.2-163.4-0.700000109.5
361S27.1Very low30.3Very low112 Ų112130.4 Ų130.478%0.78377%0.767SS**  cis-163.3-161.814.277.50000114.4
362H28.8Very low30.3Very low170 Ų170130.5 Ų130.579%0.78777%0.772SS**  trans-36156169.3-94.8-79000118.7
363V27.4Very low30.7Very low128 Ų128126.2 Ų126.278%0.77677%0.772SS**  cis-143154.719.6-173.70000111.8
364Q30.4Very low31.4Very low141 Ų141126.5 Ų126.566%0.65978%0.778SS**  trans-107.8163.8168.2-76.4-168.9-35.700113.5H366Q364-H366 PolarHBondContact OE1-CE1 3.49Å; Q364-H366 PolarHBondContact OE1-ND1 3.05Å
365P38.9Very low32.3Very low129 Ų129125 Ų12584%0.83878%0.777SS**  -131.4167.2111.538.1-31.8000114.4
366H29.4Very low33.3Very low152 Ų152124 Ų12470%0.70478%0.775SS**  trans-98.9154.5-166.5-43.4-89.4000115.2Q364Q364-H366 PolarHBondContact OE1-CE1 3.49Å; Q364-H366 PolarHBondContact OE1-ND1 3.05Å
367A27.8Very low34.9Very low104 Ų104121.8 Ų121.886%0.8676%0.764SS**  trans-156128.2138.500000109.7
368S36.1Very low37.2Very low113 Ų113117.9 Ų117.979%0.7975%0.745SS**  trans-115.8135.9-175-54.60000111.9
369T28.5Very low39.7Very low138 Ų138113.2 Ų113.285%0.84772%0.723SS**  trans-144.6146.7160.635.70000112.3
370S32.8Very low42.3Very low116 Ų116109.1 Ų109.181%0.81171%0.705SS**  trans5122.7163.554.90000119.4
371G35.3Very low45Very low85 Ų85104.8 Ų104.888%0.87667%0.669SS**  trans-77154.1169.800000114.4
372C29Very low47.2Very low126 Ų126103.4 Ų103.485%0.85166%0.657SS**  trans-142.9139.4161.1-172.30000107.3T374C372-T374 PolarHBondContact O-N 2.97Å
373G37.7Very low49.6Very low77 Ų7797.8 Ų97.879%0.79464%0.635SS**PPolyproline II helixtrans-70.6119.2-172.700000112.4
374T42.4Very low52.3Low122 Ų12294.5 Ų94.575%0.74862%0.616SS**PPolyproline II helixtrans-75.9143.4171.944.60000111.1C372C372-T374 PolarHBondContact O-N 2.97Å
375P47.7Very low54.8Low107 Ų10795.4 Ų95.470%0.69562%0.619SS**PPolyproline II helixtrans-67137.9171.929.1-33.8000109.8E377P375-E377 PolarHBondContact O-N 2.96Å
376A52.8Low56.9Low76 Ų7691.4 Ų91.463%0.62860%0.596SS**  trans-70.297.1178.500000110.9T378A376-T378 PolarHBondContact O-N 3.08Å; A376-T378 PolarHBondContact O-OG1 3.02Å
377E64.4Low59.6Low111 Ų11191.8 Ų91.852%0.51960%0.596SS.*  trans-57.1137.5176.8-63-163.1149.400110.9P375 F379 T390P375-E377 PolarHBondContact O-N 2.96Å; E377-F379 HydrophobicContact CB-CE2 3.93Å; E377-F379 HydrophobicContact CB-CZ 4.14Å; E377-F379 WeakPolarHBondContact OE2-CZ 3.36Å; E377-T390 PolarHBondContact O-N 3.03Å
378T79.1Confident62.3Low58 Ų5888 Ų8836%0.35656%0.562SS.*EExtended strand (participates in β ladder)trans-12996-171.7-58.20000108.5A376 K387 K389A376-T378 PolarHBondContact O-N 3.08Å; A376-T378 PolarHBondContact O-OG1 3.02Å; T378-K387 HydrophobicContact CG2-CB 3.79Å; T378-K387 HydrophobicContact CG2-CD 4.37Å; T378-K387 HydrophobicContact CG2-CG 4.29Å; T378-K389 HydrophobicContact CG2-CG 3.93Å
379F80.7Confident64.6Low63 Ų6390.9 Ų90.928%0.27656%0.56SS.*EExtended strand (participates in β ladder)trans-78.4149.8178.8-60.8-80.4000110.3E377 K387 V388 T390 F396E377-F379 HydrophobicContact CB-CE2 3.93Å; E377-F379 HydrophobicContact CB-CZ 4.14Å; E377-F379 WeakPolarHBondContact OE2-CZ 3.36Å; F379-K387 CarbonylContact O-C 3.55Å; F379-K387 WeakPolarHBondContact O-CA 3.35Å; F379-V388 PolarHBondContact N-O 3.49Å; F379-V388 PolarHBondContact O-N 3.35Å; F379-T390 HydrophobicContact CD2-CG2 4.34Å; F379-T390 WeakPolarHBondContact CD2-O 3.34Å; F379-T390 VanDerWaalsContact CE2-O 3.23Å; F379-T390 WeakPolarHBondContact CE2-O 3.45Å; F379-F396 HydrophobicContact CB-CD1 4.03Å; F379-F396 HydrophobicContact CB-CD2 3.56Å; F379-F396 HydrophobicContact CB-CE1 3.92Å; F379-F396 HydrophobicContact CB-CE2 3.46Å; F379-F396 VanDerWaalsContact CB-CE2 3.46Å; F379-F396 HydrophobicContact CB-CG 3.85Å; F379-F396 HydrophobicContact CB-CZ 3.64Å; F379-F396 HydrophobicContact CG-CD1 4.32Å; F379-F396 HydrophobicContact CG-CD2 4.47Å; F379-F396 HydrophobicContact CG-CE1 4.46Å; F379-F396 HydrophobicContact CG-CG 4.31Å
380T85.8Confident67Low73 Ų7385.2 Ų85.245%0.44853%0.526SS..EExtended strand (participates in β ladder)trans-111.7119.5178-56.20000108.8A386 F396T380-A386 WeakPolarHBondContact CA-O 3.45Å; T380-F396 WeakPolarHBondContact O-CZ 3.37Å
381C82.2Confident69.1Low0 Ų084.6 Ų84.60%052%0.517CS..  trans-66.6123.9-178.21790000110.1V383 C384 F385 A386 V388 F396 H399C381-V383 PolarHBondContact O-N 3.23Å; C381-C384 VanDerWaalsContact CB-SG 3.59Å; C381-F385 WeakPolarHBondContact O-CA 3.12Å; C381-F385 PolarHBondContact O-N 3.25Å; C381-A386 PolarHBondContact N-O 3.37Å; C381-V388 HydrophobicContact CB-CG2 4.46Å; C381-F396 HydrophobicContact CB-CE2 4.26Å; C381-H399 WeakPolarHBondContact CB-NE2 3.45Å
382P72.9Confident71.1Confident82 Ų8283.9 Ų83.953%0.53249%0.493SS..THydrogen-bonded Turntrans-72.6-10.2-177.329.7-35.9000114F385 I400P382-F385 WeakPolarHBondContact O-CZ 3.43Å; P382-I400 HydrophobicContact CG-CD1 4.38Å
383V80.8Confident73.5Confident53 Ų5382.2 Ų82.232%0.32148%0.475SS..THydrogen-bonded Turntrans-93.6-44.7-176.2-171.90000111.7C381 I400 C403 L404C381-V383 PolarHBondContact O-N 3.23Å; V383-I400 HydrophobicContact CG2-CG2 4.07Å; V383-C403 HydrophobicContact CB-CB 3.83Å; V383-C403 HydrophobicContact CG1-CB 3.76Å; V383-C403 HydrophobicContact CG2-CB 4.46Å; V383-L404 HydrophobicContact CG1-CD2 4.07Å; V383-L404 HydrophobicContact CG2-CD2 3.71Å; V383-L404 HydrophobicContact CG2-CG 4.03Å
384C82.9Confident75.6Confident58 Ų5883.7 Ų83.739%0.39247%0.465SS..THydrogen-bonded Turntrans-113-2-177.867.80000113.9C381 A386 H399 C403C381-C384 VanDerWaalsContact CB-SG 3.59Å; C384-A386 PolarHBondContact O-N 3.15Å; C384-A386 VanDerWaalsContact SG-CB 3.58Å; C384-H399 PolarHBondContact SG-NE2 3.37Å; C384-H399 VanDerWaalsContact SG-NE2 3.4Å; C384-C403 VanDerWaalsContact SG-SG 3.69Å
385F82.7Confident77.5Confident161 Ų16180.3 Ų80.371%0.70644%0.444SS*.  trans58.111.3-177.5-55.4-78.6000115.7C381 P382C381-F385 WeakPolarHBondContact O-CA 3.12Å; C381-F385 PolarHBondContact O-N 3.25Å; P382-F385 WeakPolarHBondContact O-CZ 3.43Å
386A83.6Confident79.5Confident44 Ų4476.2 Ų76.236%0.36442%0.415SS..  trans-71.1145.9174.400000112T380 C381 C384T380-A386 WeakPolarHBondContact CA-O 3.45Å; C381-A386 PolarHBondContact N-O 3.37Å; C384-A386 PolarHBondContact O-N 3.15Å; C384-A386 VanDerWaalsContact SG-CB 3.58Å
387K85.5Confident80.9Confident161 Ų16175.8 Ų75.870%0.740%0.403SS*.EExtended strand (participates in β ladder)trans-88.7107.9174.5-74.7-176.4178.1-1790110.4T378 F379T378-K387 HydrophobicContact CG2-CB 3.79Å; T378-K387 HydrophobicContact CG2-CD 4.37Å; T378-K387 HydrophobicContact CG2-CG 4.29Å; F379-K387 CarbonylContact O-C 3.55Å; F379-K387 WeakPolarHBondContact O-CA 3.35Å
388V86.2Confident82Confident24 Ų2477.7 Ų77.715%0.14541%0.405CS..EExtended strand (participates in β ladder)trans-91.1112.3177.5-168.80000108.7F379 C381 T390 F396 H399F379-V388 PolarHBondContact N-O 3.49Å; F379-V388 PolarHBondContact O-N 3.35Å; C381-V388 HydrophobicContact CB-CG2 4.46Å; V388-T390 HydrophobicContact CG1-CG2 3.79Å; V388-T390 PolarHBondContact O-N 2.94Å; V388-F396 HydrophobicContact CB-CD2 3.91Å; V388-F396 HydrophobicContact CB-CE2 4.35Å; V388-F396 HydrophobicContact CG1-CD2 4.36Å; V388-F396 HydrophobicContact CG2-CD2 3.93Å; V388-F396 HydrophobicContact CG2-CE2 4.09Å; V388-H399 VanDerWaalsContact CG2-CD2 3.45Å; V388-H399 WeakPolarHBondContact CG2-CD2 3.27Å
389K83Confident82.4Confident173 Ų17377.7 Ų77.775%0.75240%0.401SS*.EExtended strand (participates in β ladder)trans-83.1100.1172.4-68-173.7175.2-177.20109T378T378-K389 HydrophobicContact CG2-CG 3.93Å
390T80.3Confident82.5Confident20 Ų2076 Ų7612%0.12339%0.394CS..  trans-155.9138.2176.1179.80000109E377 F379 V388 D392 V395 F396E377-T390 PolarHBondContact O-N 3.03Å; F379-T390 HydrophobicContact CD2-CG2 4.34Å; F379-T390 WeakPolarHBondContact CD2-O 3.34Å; F379-T390 VanDerWaalsContact CE2-O 3.23Å; F379-T390 WeakPolarHBondContact CE2-O 3.45Å; V388-T390 HydrophobicContact CG1-CG2 3.79Å; V388-T390 PolarHBondContact O-N 2.94Å; T390-D392 WeakPolarHBondContact CG2-O 3.41Å; T390-D392 PolarHBondContact OG1-N 3.05Å; T390-D392 PolarHBondContact OG1-O 3.04Å; T390-V395 HydrophobicContact CG2-CB 4.33Å; T390-V395 HydrophobicContact CG2-CG1 4.46Å; T390-F396 HydrophobicContact CG2-CB 3.88Å
391T75.7Confident82.6Confident103 Ų10376.9 Ų76.963%0.63240%0.396SS*.SBendtrans-92-10.2167.9490000112.3
392D78Confident82.7Confident69 Ų6979.7 Ų79.737%0.36942%0.416SS..  trans-93117.9170.2179.413.2000110.5T390 N394 V395 F396T390-D392 WeakPolarHBondContact CG2-O 3.41Å; T390-D392 PolarHBondContact OG1-N 3.05Å; T390-D392 PolarHBondContact OG1-O 3.04Å; D392-N394 VanDerWaalsContact C-N 3.26Å; D392-N394 PolarHBondContact O-N 3.16Å; D392-N394 WeakPolarHBondContact OD1-CB 3.41Å; D392-N394 PolarHBondContact OD1-N 2.98Å; D392-N394 PolarHBondContact OD1-ND2 3.35Å; D392-V395 HydrophobicContact CB-CG2 4.02Å; D392-V395 PolarHBondContact O-N 3.1Å; D392-F396 PolarHBondContact O-N 3.16Å
393L78.4Confident83.3Confident92 Ų9277 Ų7748%0.48240%0.399SS..Hα-helixtrans-67.7-24.8178.5-164.368.3000112.4V395 F396 N397L393-V395 VanDerWaalsContact C-N 3.32Å; L393-V395 PolarHBondContact O-N 3.48Å; L393-F396 HydrophobicContact CD1-CB 4.49Å; L393-F396 HydrophobicContact CD1-CD1 4Å; L393-F396 PolarHBondContact O-N 3.34Å; L393-N397 WeakPolarHBondContact O-CB 3.5Å; L393-N397 PolarHBondContact O-N 3.33Å; L393-N397 PolarHBondContact O-OD1 3.19Å
394N82.4Confident83.1Confident108 Ų10879 Ų7958%0.57841%0.407SS*.Hα-helixtrans-70.5-29.7176.6-57.1-74.4000112.1D392 R398D392-N394 VanDerWaalsContact C-N 3.26Å; D392-N394 PolarHBondContact O-N 3.16Å; D392-N394 WeakPolarHBondContact OD1-CB 3.41Å; D392-N394 PolarHBondContact OD1-N 2.98Å; D392-N394 PolarHBondContact OD1-ND2 3.35Å; N394-R398 VanDerWaalsContact O-CB 3.27Å; N394-R398 WeakPolarHBondContact O-CB 3.42Å; N394-R398 PolarHBondContact O-N 3.36Å; N394-R398 VanDerWaalsContact O-N 3.16Å; N394-R398 PolarHBondContact O-NH1 2.73Å
395V82.5Confident82.8Confident51 Ų5179.5 Ų79.531%0.30941%0.411SS..Hα-helixtrans-70.2-40.1170.4179.90000110.6T390 D392 L393 H399T390-V395 HydrophobicContact CG2-CB 4.33Å; T390-V395 HydrophobicContact CG2-CG1 4.46Å; D392-V395 HydrophobicContact CB-CG2 4.02Å; D392-V395 PolarHBondContact O-N 3.1Å; L393-V395 VanDerWaalsContact C-N 3.32Å; L393-V395 PolarHBondContact O-N 3.48Å; V395-H399 PolarHBondContact O-N 2.88Å
396F89.7Confident82Confident21 Ų2174.8 Ų74.89%0.09239%0.393CS..Hα-helixtrans-66.1-46.9177.2-178.2-119.8000112.4F379 T380 C381 V388 T390 D392 L393 H399 I400F379-F396 HydrophobicContact CB-CD1 4.03Å; F379-F396 HydrophobicContact CB-CD2 3.56Å; F379-F396 HydrophobicContact CB-CE1 3.92Å; F379-F396 HydrophobicContact CB-CE2 3.46Å; F379-F396 VanDerWaalsContact CB-CE2 3.46Å; F379-F396 HydrophobicContact CB-CG 3.85Å; F379-F396 HydrophobicContact CB-CZ 3.64Å; F379-F396 HydrophobicContact CG-CD1 4.32Å; F379-F396 HydrophobicContact CG-CD2 4.47Å; F379-F396 HydrophobicContact CG-CE1 4.46Å; F379-F396 HydrophobicContact CG-CG 4.31Å; T380-F396 WeakPolarHBondContact O-CZ 3.37Å; C381-F396 HydrophobicContact CB-CE2 4.26Å; V388-F396 HydrophobicContact CB-CD2 3.91Å; V388-F396 HydrophobicContact CB-CE2 4.35Å; V388-F396 HydrophobicContact CG1-CD2 4.36Å; V388-F396 HydrophobicContact CG2-CD2 3.93Å; V388-F396 HydrophobicContact CG2-CE2 4.09Å; T390-F396 HydrophobicContact CG2-CB 3.88Å; D392-F396 PolarHBondContact O-N 3.16Å; L393-F396 HydrophobicContact CD1-CB 4.49Å; L393-F396 HydrophobicContact CD1-CD1 4Å; L393-F396 PolarHBondContact O-N 3.34Å; F396-H399 WeakPolarHBondContact O-CB 3.49Å; F396-H399 PolarHBondContact O-N 3Å; F396-I400 HydrophobicContact CD1-CD1 4.06Å; F396-I400 HydrophobicContact CE1-CD1 3.62Å; F396-I400 HydrophobicContact CE2-CD1 4.38Å; F396-I400 HydrophobicContact CZ-CD1 3.79Å; F396-I400 HydrophobicContact CZ-CG1 4.39Å; F396-I400 PolarHBondContact O-N 2.79Å; F396-I400 VanDerWaalsContact O-N 3.09Å
397N82.6Confident80.7Confident67 Ų6775 Ų7536%0.35840%0.395SS..Hα-helixtrans-61.5-47.5178.1-66.9-12.1000111.1L393 H399 I400 D401L393-N397 WeakPolarHBondContact O-CB 3.5Å; L393-N397 PolarHBondContact O-N 3.33Å; L393-N397 PolarHBondContact O-OD1 3.19Å; N397-H399 PolarHBondContact O-N 3.37Å; N397-H399 VanDerWaalsContact O-N 3.16Å; N397-I400 WeakPolarHBondContact O-CA 3.48Å; N397-I400 WeakPolarHBondContact O-CB 3.49Å; N397-I400 PolarHBondContact O-N 3.02Å; N397-D401 VanDerWaalsContact O-CG 3.29Å; N397-D401 PolarHBondContact O-N 3.11Å
398R86.9Confident79.2Confident150 Ų15070.1 Ų70.157%0.56639%0.385SS*.Hα-helixtrans-58-31.7176-175.5170.668.5-102.910.7113.4N394 S402N394-R398 VanDerWaalsContact O-CB 3.27Å; N394-R398 WeakPolarHBondContact O-CB 3.42Å; N394-R398 PolarHBondContact O-N 3.36Å; N394-R398 VanDerWaalsContact O-N 3.16Å; N394-R398 PolarHBondContact O-NH1 2.73Å; R398-S402 PolarHBondContact O-N 3.17Å; R398-S402 VanDerWaalsContact O-N 3.13Å
399H86.7Confident77.3Confident58 Ų5875.2 Ų75.227%0.26941%0.405SS..Hα-helixtrans-70.8-39.2172.6169.782000112.4C381 C384 V388 V395 F396 N397 C403C381-H399 WeakPolarHBondContact CB-NE2 3.45Å; C384-H399 PolarHBondContact SG-NE2 3.37Å; C384-H399 VanDerWaalsContact SG-NE2 3.4Å; V388-H399 VanDerWaalsContact CG2-CD2 3.45Å; V388-H399 WeakPolarHBondContact CG2-CD2 3.27Å; V395-H399 PolarHBondContact O-N 2.88Å; F396-H399 WeakPolarHBondContact O-CB 3.49Å; F396-H399 PolarHBondContact O-N 3Å; N397-H399 PolarHBondContact O-N 3.37Å; N397-H399 VanDerWaalsContact O-N 3.16Å; H399-C403 PolarHBondContact O-N 2.65Å; H399-C403 PolarHBondContact O-SG 2.95Å
400I84.5Confident75.6Confident28 Ų2876.1 Ų76.114%0.14440%0.404CS..Hα-helixtrans-61.5-48.5172.4-65.8172000110.2P382 V383 F396 N397 S402 C403 L404P382-I400 HydrophobicContact CG-CD1 4.38Å; V383-I400 HydrophobicContact CG2-CG2 4.07Å; F396-I400 HydrophobicContact CD1-CD1 4.06Å; F396-I400 HydrophobicContact CE1-CD1 3.62Å; F396-I400 HydrophobicContact CE2-CD1 4.38Å; F396-I400 HydrophobicContact CZ-CD1 3.79Å; F396-I400 HydrophobicContact CZ-CG1 4.39Å; F396-I400 PolarHBondContact O-N 2.79Å; F396-I400 VanDerWaalsContact O-N 3.09Å; N397-I400 WeakPolarHBondContact O-CA 3.48Å; N397-I400 WeakPolarHBondContact O-CB 3.49Å; N397-I400 PolarHBondContact O-N 3.02Å; I400-S402 VanDerWaalsContact C-N 3.3Å; I400-S402 PolarHBondContact O-N 3.16Å; I400-C403 WeakPolarHBondContact O-CB 3.49Å; I400-C403 PolarHBondContact O-N 3.09Å; I400-L404 HydrophobicContact CG2-CD1 4Å; I400-L404 HydrophobicContact CG2-CG 4.38Å; I400-L404 WeakPolarHBondContact O-CG 3.47Å; I400-L404 PolarHBondContact O-N 2.71Å
401D86.1Confident74Confident92 Ų9282.9 Ų82.949%0.49243%0.434SS..Hα-helixtrans-60.1-39.7-178.8-59.9-36.7000111.9N397 L404 S405N397-D401 VanDerWaalsContact O-CG 3.29Å; N397-D401 PolarHBondContact O-N 3.11Å; D401-L404 PolarHBondContact O-N 3.3Å; D401-S405 WeakPolarHBondContact O-CB 3.42Å; D401-S405 PolarHBondContact O-N 3.46Å; D401-S405 PolarHBondContact O-OG 2.99Å
402S85.4Confident72.4Confident59 Ų5984.6 Ų84.641%0.41344%0.439SS..Hα-helixtrans-63.7-45.3171.7-162.20000111.8R398 I400 L404 S405 D406R398-S402 PolarHBondContact O-N 3.17Å; R398-S402 VanDerWaalsContact O-N 3.13Å; I400-S402 VanDerWaalsContact C-N 3.3Å; I400-S402 PolarHBondContact O-N 3.16Å; S402-L404 VanDerWaalsContact C-N 3.29Å; S402-L404 PolarHBondContact O-N 3.25Å; S402-S405 PolarHBondContact O-N 3.42Å; S402-S405 VanDerWaalsContact O-N 3.16Å; S402-D406 PolarHBondContact O-N 2.9Å; S402-D406 PolarHBondContact OG-OD2 3.09Å
403C85.1Confident70.5Confident25 Ų2590 Ų9017%0.16946%0.462CS..Hα-helixtrans-62.8-34.3179.4-67.80000112.8V383 C384 H399 I400 A407V383-C403 HydrophobicContact CB-CB 3.83Å; V383-C403 HydrophobicContact CG1-CB 3.76Å; V383-C403 HydrophobicContact CG2-CB 4.46Å; C384-C403 VanDerWaalsContact SG-SG 3.69Å; H399-C403 PolarHBondContact O-N 2.65Å; H399-C403 PolarHBondContact O-SG 2.95Å; I400-C403 WeakPolarHBondContact O-CB 3.49Å; I400-C403 PolarHBondContact O-N 3.09Å; C403-A407 PolarHBondContact O-N 3.36Å
404L76.1Confident68.5Low96 Ų9689.5 Ų89.550%0.50347%0.472SS..Hα-helixtrans-71.2-41.9173.2-65.9172.2000111.4V383 I400 D401 S402 D406 A407 A408V383-L404 HydrophobicContact CG1-CD2 4.07Å; V383-L404 HydrophobicContact CG2-CD2 3.71Å; V383-L404 HydrophobicContact CG2-CG 4.03Å; I400-L404 HydrophobicContact CG2-CD1 4Å; I400-L404 HydrophobicContact CG2-CG 4.38Å; I400-L404 WeakPolarHBondContact O-CG 3.47Å; I400-L404 PolarHBondContact O-N 2.71Å; D401-L404 PolarHBondContact O-N 3.3Å; S402-L404 VanDerWaalsContact C-N 3.29Å; S402-L404 PolarHBondContact O-N 3.25Å; L404-D406 PolarHBondContact O-N 2.89Å; L404-A407 WeakPolarHBondContact O-CB 3.24Å; L404-A407 PolarHBondContact O-N 2.92Å; L404-A408 PolarHBondContact O-N 3.4Å
405S77.1Confident66.5Low67 Ų6789.5 Ų89.547%0.46948%0.48SS..Hα-helixtrans-65.1-36.1178.7-58.20000113D401 S402D401-S405 WeakPolarHBondContact O-CB 3.42Å; D401-S405 PolarHBondContact O-N 3.46Å; D401-S405 PolarHBondContact O-OG 2.99Å; S402-S405 PolarHBondContact O-N 3.42Å; S402-S405 VanDerWaalsContact O-N 3.16Å
406D65.9Low64Low62 Ų6290.5 Ų90.533%0.33250%0.5SS..Hα-helixtrans-88-4.3178.4-63.6-38.6000113.5S402 L404 K409 R410S402-D406 PolarHBondContact O-N 2.9Å; S402-D406 PolarHBondContact OG-OD2 3.09Å; L404-D406 PolarHBondContact O-N 2.89Å; D406-K409 IonicContact OD1-NZ 3.99Å; D406-K409 PolarHBondContact OD1-NZ 3.17Å; D406-R410 WeakPolarHBondContact O-CG 3.48Å; D406-R410 PolarHBondContact O-NE 3.47Å; D406-R410 VanDerWaalsContact O-NE 3.14Å
407A57Low61.2Low48 Ų4895 Ų9540%0.39754%0.535SS..Hα-helixtrans-78-47.4164.800000110.6C403 L404 K409 R410C403-A407 PolarHBondContact O-N 3.36Å; L404-A407 WeakPolarHBondContact O-CB 3.24Å; L404-A407 PolarHBondContact O-N 2.92Å; A407-K409 VanDerWaalsContact C-N 3.3Å; A407-K409 PolarHBondContact O-N 3.13Å; A407-R410 WeakPolarHBondContact O-CB 3.33Å; A407-R410 PolarHBondContact O-N 3.16Å
408A53.2Low58.8Low60 Ų60101.6 Ų101.650%0.49656%0.563SS.*Hα-helixtrans-55.9-40.7179.700000113.1L404 R410 E411L404-A408 PolarHBondContact O-N 3.4Å; A408-R410 PolarHBondContact O-N 2.89Å; A408-R410 VanDerWaalsContact O-N 3.11Å; A408-E411 PolarHBondContact O-N 3.18Å
409K46Very low56.1Low131 Ų13199.7 Ų99.757%0.5757%0.573SS**THydrogen-bonded Turntrans-66.5-8.8178.7-63.6174.4-165.91550115.1D406 A407D406-K409 IonicContact OD1-NZ 3.99Å; D406-K409 PolarHBondContact OD1-NZ 3.17Å; A407-K409 VanDerWaalsContact C-N 3.3Å; A407-K409 PolarHBondContact O-N 3.13Å
410R48.3Very low53.5Low192 Ų192104.6 Ų104.673%0.72560%0.601SS**THydrogen-bonded Turntrans-91.4-10.2-179.6-63.3178.4-167.5-154.7-2113.4D406 A407 A408D406-R410 WeakPolarHBondContact O-CG 3.48Å; D406-R410 PolarHBondContact O-NE 3.47Å; D406-R410 VanDerWaalsContact O-NE 3.14Å; A407-R410 WeakPolarHBondContact O-CB 3.33Å; A407-R410 PolarHBondContact O-N 3.16Å; A408-R410 PolarHBondContact O-N 2.89Å; A408-R410 VanDerWaalsContact O-N 3.11Å
411E47.4Very low50.9Low161 Ų161111.7 Ų111.775%0.75264%0.639SS**THydrogen-bonded Turntrans-88.7-27.8-179.7-58.5-169.9148.800111.7A408A408-E411 PolarHBondContact O-N 3.18Å
412D40.5Very low48.2Very low139 Ų139114.6 Ų114.674%0.74365%0.654SS**G310 helixtrans-75.5-29.6-179.6-71.5-42.4000114.6A414D412-A414 PolarHBondContact O-N 3.04Å
413E38.3Very low46.2Very low183 Ų183116.9 Ų116.986%0.85567%0.668SS**G310 helixtrans-812.7-179.7-74.6-84135.300113.4
414A38Very low43.7Very low82 Ų82124.1 Ų124.168%0.67870%0.699SS**G310 helixtrans-105.525.8-171.300000114.5D412D412-A414 PolarHBondContact O-N 3.04Å
415S39.6Very low41.6Very low108 Ų108126.5 Ų126.576%0.75571%0.712SS**  trans-143.4108.2171.763.40000113
416G30.8Very low39.3Very low71 Ų71128.8 Ų128.873%0.73272%0.719SS**  trans-166.6118.2-178.900000113.6
417S30.7Very low37.6Very low117 Ų117132.1 Ų132.182%0.81873%0.733SS**  trans49.6100.3168.5610000119
418E31Very low36.3Very low204 Ų204139.9 Ų139.995%0.95375%0.752SS**  -117.6151.1126.8-70.7-165.7125.700108
419S31.3Very low35Very low111 Ų111146.3 Ų146.378%0.77677%0.768SS**  trans-147.8129.8-179.759.80000110.6
420D32.3Very low34Very low160 Ų160144.9 Ų144.986%0.85678%0.775SS**  trans-63.3140.1-170.2-47.6-85.8000114.4
421L28.4Very low32.9Very low178 Ų178142.1 Ų142.193%0.93278%0.78SS**  trans-152.8115.7143.3-79.9-169.4000111.1
422D29.5Very low31.9Very low153 Ų153140.8 Ų140.882%0.81878%0.782SS**  trans-71.9173155.2-100.5-47.7000110.1
423P44.7Very low31.2Very low107 Ų107141 Ų14170%0.69579%0.788SS**  cis-151.8-171.326.949.1-29.7000118.7
424E31.6Very low30.6Very low176 Ų176137.6 Ų137.682%0.82278%0.78SS**  trans63.6105.9149.6-51.9-139.1120.900123.6
425D31.4Very low30.1Very low147 Ų147142.4 Ų142.479%0.78679%0.788SS**  80.3143.4114.8-146.626.7000126
426D29.4Very low29.4Very low115 Ų115146.5 Ų146.562%0.61579%0.792SS**  trans98137.1140.5-133.526.5000128.4
427H30.6Very low29.1Very low132 Ų132150.9 Ų150.961%0.61179%0.791SS**  trans41.7108.7153.1-91.548.1000125.6
428R28.7Very low28.8Very low211 Ų211153 Ų15380%0.79679%0.788SS**  28117.1116.6-71.1173.7155.4-177.6-4.3120.8
429K26Very low28.6Very low195 Ų195151.9 Ų151.985%0.84878%0.78SS**  175.7133.9119.1-94.7154.7-175.7170.70109.2
430S26Very low28.8Very low100 Ų100152.1 Ų152.170%0.69978%0.779SS**  94.9154.152.9-65.70000113.8
431T25.5Very low28.4Very low135 Ų135154.6 Ų154.683%0.82878%0.776SS**  trans68.2123.3-17167.30000114
432V26.3Very low28.2Very low133 Ų133153 Ų15381%0.80677%0.769SS**  cis76.1108.128.1-171.50000114.6
433V24.6Very low28.2Very low143 Ų143152.6 Ų152.687%0.86777%0.766SS**  trans-158.3153.1132.8135.20000108.9
434T26.4Very low27.2Very low112 Ų112156.6 Ų156.669%0.68777%0.772SS**  trans-125.8145.9-177.448.20000112.4
435Q27.1Very low27Very low182 Ų182154.3 Ų154.385%0.8577%0.766SS**  trans164.7135.4145.4-90156.18600108.3
436K25.6Very low26.7Very low194 Ų194154.6 Ų154.684%0.84376%0.763SS**  cis94.6138.632.7-170.7-178.1-178.6-175.10112.3
437K24.1Very low26.5Very low164 Ų164153 Ų15371%0.71377%0.765SS**  trans91.7145-167.3-66.4179.7155.6-80.30112.9
438E25.1Very low26.2Very low161 Ų161151.9 Ų151.975%0.75277%0.772SS**  cis-156.2-179.9-15.2-123.9149.3-16300111.5
439K27Very low26.1Very low181 Ų181146.2 Ų146.279%0.78777%0.771SS**  trans-150.8130.5-177.1-179.4-178.8-176.5176.70113.9
440P33.5Very low26.1Very low115 Ų115143.3 Ų143.375%0.74778%0.775SS**  trans-109.1147.8138.833.8-24.4000109.8
441R25.9Very low26Very low212 Ų212142.5 Ų142.580%0.878%0.783SS**  cis76.9102.835.1-69.8-161.3-178.5-156.33.5114.5
442D23.9Very low26Very low145 Ų145139.5 Ų139.578%0.77578%0.778SS**  170.2-178.2120-84.7-8.6000109.7
443L27.8Very low25.8Very low144 Ų144141.8 Ų141.875%0.75478%0.78SS**  -158.6168.9-75.5-120.3172.2000109.8
444K25.2Very low25.8Very low191 Ų191141.9 Ų141.983%0.8378%0.775SS**  trans76.3161.5173.5-60.4178.9-178.5179.60118.1
445N25.8Very low25.7Very low128 Ų128142.8 Ų142.868%0.68478%0.776SS**  cis-171.9174.1-46.5-121.857.5000110.4
446E25.1Very low25.6Very low154 Ų154141.4 Ų141.472%0.7277%0.774SS**  trans66.7138.9176.3-43.6-44117.800116.1
447A25.6Very low25.4Very low80 Ų80135.8 Ų135.866%0.66177%0.77SS**  cis86139.731.700000113.3
448S25.4Very low25.4Very low109 Ų109139.2 Ų139.276%0.76278%0.779SS**  cis-153.3146.612.7-46.20000111.1
449A25.8Very low25.3Very low93 Ų93137 Ų13777%0.76978%0.776SS**  88.9163.795.400000119
450S25.6Very low25.1Very low133 Ų133133.1 Ų133.193%0.9377%0.772SS**  trans69.5146.8-171.873.80000116.1
451G24.5Very low25Very low84 Ų84132.9 Ų132.987%0.86677%0.77SS**  cis170.4164.2-6.200000109.4
452G24.8Very low24.9Very low72 Ų72130.4 Ų130.474%0.74277%0.768SS**  cis175.6164.3-6.700000111.6
453E23.5Very low24.9Very low180 Ų180130.9 Ų130.984%0.84177%0.765SS**  trans67.4138.8167.6-68.8-170.194.600118.5
454L24.6Very low24.8Very low146 Ų146127.1 Ų127.176%0.76476%0.762SS**  75.9139.558.3-64.7180000113.8
455D23.4Very low24.8Very low131 Ų131126 Ų12670%0.70176%0.759SS**  cis-165.8172.6-14-169.617.4000111.3
456L24.4Very low24.8Very low153 Ų153127.5 Ų127.580%0.80176%0.762SS**  trans64114.9153.2-86.2165.2000124.7
457G23.3Very low24.9Very low75 Ų75126.4 Ų126.477%0.77377%0.766SS**  94166.9129.400000120.1
458R22.7Very low24.9Very low236 Ų236130.5 Ų130.589%0.89178%0.776SS**  cis-169.2164.2-19.3-163.5-168177.3-141.71109.9
459V22.6Very low24.9Very low116 Ų116134.3 Ų134.370%0.70378%0.779SS**  trans92.5144.8157.8-172.50000118.5
460S23.1Very low24.9Very low99 Ų99136 Ų13669%0.69278%0.775SS**  trans-136.7162.1172-45.20000109.6
461P32.7Very low24.9Very low110 Ų110136.3 Ų136.371%0.71477%0.766SS**  trans-110.9152.5139.1-5.926.9000110.2
462Q23.8Very low24.9Very low159 Ų159139.7 Ų139.774%0.74376%0.763SS**  67.1139.857.1-66.4175.5-80.700112.7
463E24.1Very low24.9Very low155 Ų155142.1 Ų142.172%0.72476%0.764SS**  cis-163.6165.62.4-131.3167.8-146.500114.8
464G24Very low25Very low66 Ų66137.9 Ų137.968%0.6875%0.754SS**  trans78.6168.3150.100000119.7
465Q26.5Very low25Very low167 Ų167137.6 Ų137.678%0.7875%0.753SS**  cis-157.1169.5-14.9-115.6-179.440.500112.3
466Q26.2Very low25.2Very low160 Ų160138 Ų13875%0.74875%0.753SS**  trans-33.2159.4174.7-55.2164.614.500117.6
467T25.3Very low25.3Very low131 Ų131138 Ų13880%0.80475%0.749SS**  -171.4166.267.941.30000114.4
468L27.6Very low25.6Very low165 Ų165139.9 Ų139.986%0.86475%0.746SS**  trans-103.2142.2168.3-82.8164.2000111.7
469K25.5Very low25.7Very low189 Ų189136 Ų13682%0.82274%0.742SS**  trans171.4157.1160.1-96.4148.3-173.7179.50108.7
470N25.7Very low26Very low129 Ų129138.5 Ų138.569%0.6974%0.744SS**  cis-167.5152-27.6-116.315.5000108.5
471N24.4Very low26.2Very low139 Ų139143 Ų14374%0.74375%0.751SS**  trans65.7139.3167.6-54.5-23.4000116.3
472L24.4Very low26.9Very low155 Ų155142.7 Ų142.781%0.81275%0.749SS**  cis88.9139.429.7-165.677.5000113.6
473V25Very low27Very low124 Ų124142.2 Ų142.275%0.75276%0.757SS**  trans85133.6174.1-173.40000115
474S26Very low27.2Very low91 Ų91138.6 Ų138.664%0.63675%0.753SS**  cis-177.1172.4-23-93.80000109.7
475L25.3Very low27.3Very low140 Ų140143.3 Ų143.373%0.73376%0.762SS**  trans69.1154.4153.3-71.4150.7000116
476I27.2Very low27.4Very low138 Ų138143.4 Ų143.471%0.70876%0.762SS**  cis-137.5126.55.6-102.4130.6000107.1
477Q25.9Very low27.8Very low153 Ų153144.9 Ų144.972%0.71577%0.769SS**  45.9105.4100.6-80.5173.6-81.300116.2
478V30.4Very low28.1Very low116 Ų116147.4 Ų147.470%0.70377%0.772SS**  68.9117.792.1170.50000114.3
479D24.3Very low28.6Very low154 Ų154145.5 Ų145.582%0.82477%0.772SS**  -149.3177.4129.9-138.5-29.8000113
480K29.2Very low29Very low169 Ų169141.5 Ų141.574%0.73577%0.768SS**  trans-117.3-177.3-171.6-53.5164.9-174.8162.90108.9
481K25.8Very low30.2Very low193 Ų193144.1 Ų144.184%0.83978%0.781SS**  cis-155.1-148.516.9-146-168.9176.2-176.60108.8
482P48.3Very low30.9Very low104 Ų104142.2 Ų142.268%0.67578%0.779SS**  trans-122.6165.9-140.441.5-22.4000117.3
483V25.4Very low32.1Very low149 Ų149145.7 Ų145.790%0.90378%0.781SS**  trans-138.5159.3159.1-176.20000108.7
484A28.5Very low33.2Very low78 Ų78141.7 Ų141.765%0.64576%0.758SS**  trans-126.3170.9-177.300000112.5
485L26.8Very low34.7Very low165 Ų165142.5 Ų142.586%0.86476%0.761SS**  trans67.4155.3-166.9-81.464.6000112.3
486Q28.8Very low37Very low170 Ų170139.6 Ų139.679%0.79475%0.746SS**  cis-138.7158.319.3-162.2161.6-10.900113.1
487Q34.8Very low39.6Very low191 Ų191135.5 Ų135.589%0.89373%0.725SS**  trans-89.5121.1-178.4-168.3173.93300110.5
488Q31.3Very low42.6Very low183 Ų183132 Ų13286%0.85571%0.714SS**  trans-133.3130.5168.9-75.6-169.2-12.800110.5
489S37.7Very low45.2Very low125 Ų125126.4 Ų126.487%0.87468%0.681SS**  trans-91.9118.5179.252.80000111
490S33.4Very low47.8Very low105 Ų105124 Ų12473%0.73467%0.674SS**  trans-117.7133.916452.60000109.8S492S490-S492 VanDerWaalsContact C-N 3.29Å; S490-S492 PolarHBondContact O-N 2.85Å
491L51Low50.4Low185 Ų185118.7 Ų118.797%0.96966%0.655SS**  trans-82.375177.8-82.1160.3000109.9R493L491-R493 PolarHBondContact O-N 3.08Å; L491-R493 VanDerWaalsContact O-N 3.09Å
492S39.3Very low53.1Low99 Ų99111.4 Ų111.469%0.69263%0.628SS**  trans-66.5103.2166.8550000109.1S490 S494S490-S492 VanDerWaalsContact C-N 3.29Å; S490-S492 PolarHBondContact O-N 2.85Å; S492-S494 PolarHBondContact O-N 2.78Å; S492-S494 VanDerWaalsContact O-N 3.16Å
493R49.2Very low54.8Low228 Ų228114.5 Ų114.586%0.8663%0.634SS**  trans-73.1106.3175.3-165.6176.7-172.5-177.60.5108.8L491L491-R493 PolarHBondContact O-N 3.08Å; L491-R493 VanDerWaalsContact O-N 3.09Å
494S48.2Very low57.6Low39 Ų39115.7 Ų115.727%0.27362%0.622SS.*  trans-57.3154.1-176.4-53.50000113.4S492 L496 D509S492-S494 PolarHBondContact O-N 2.78Å; S492-S494 VanDerWaalsContact O-N 3.16Å; S494-L496 PolarHBondContact O-N 3.48Å; S494-D509 WeakPolarHBondContact CB-OD1 3.34Å; S494-D509 VanDerWaalsContact CB-OD2 3.23Å; S494-D509 WeakPolarHBondContact CB-OD2 3.29Å; S494-D509 PolarHBondContact OG-OD1 3.38Å; S494-D509 PolarHBondContact OG-OD2 3.32Å
495P57.9Low60.3Low108 Ų108114.5 Ų114.570%0.70161%0.612SS**  trans-67.5119.617528.2-33.8000110.5L497P495-L497 PolarHBondContact O-N 3.18Å
496L74.1Confident63Low80 Ų80108.4 Ų108.442%0.41958%0.579SS.*  trans-60.7108.9179.6-70.2170.8000111S494 T498 A505 D507S494-L496 PolarHBondContact O-N 3.48Å; L496-T498 PolarHBondContact O-N 3.43Å; L496-T498 VanDerWaalsContact O-N 3.15Å; L496-T498 PolarHBondContact O-OG1 3.23Å; L496-A505 HydrophobicContact CB-CB 4.32Å; L496-D507 WeakPolarHBondContact CD2-OD1 3.22Å
497L82.2Confident65.3Low51 Ų51107.4 Ų107.427%0.26758%0.579SS.*EExtended strand (participates in β ladder)trans-67.6114-177.8-61179.5000109.8P495 Q506 F514P495-L497 PolarHBondContact O-N 3.18Å; L497-Q506 WeakPolarHBondContact O-CB 3.36Å; L497-Q506 PolarHBondContact O-N 3.44Å; L497-F514 HydrophobicContact CB-CD2 3.38Å; L497-F514 HydrophobicContact CB-CE2 3.55Å; L497-F514 HydrophobicContact CB-CG 3.91Å; L497-F514 HydrophobicContact CB-CZ 4.18Å; L497-F514 HydrophobicContact CD1-CB 3.85Å; L497-F514 HydrophobicContact CD1-CD1 4.31Å; L497-F514 HydrophobicContact CD1-CD2 4.18Å; L497-F514 HydrophobicContact CD1-CG 3.84Å; L497-F514 HydrophobicContact CG-CD2 4.43Å; L497-F514 WeakPolarHBondContact O-CE2 3.21Å
498T88.1Confident67.3Low79 Ų7999.8 Ų99.849%0.48555%0.546SS..EExtended strand (participates in β ladder)trans-94.8123.6-177-62.90000110.7L496 P500L496-T498 PolarHBondContact O-N 3.43Å; L496-T498 VanDerWaalsContact O-N 3.15Å; L496-T498 PolarHBondContact O-OG1 3.23Å; T498-P500 WeakPolarHBondContact O-CD 3.23Å
499C85.4Confident69.4Low0 Ų096.1 Ų96.10%053%0.532CS..  trans-68.7120.2-177175.30000111.1V501 C502 Q503 R504 F514 H517C499-V501 PolarHBondContact O-N 2.86Å; C499-V501 VanDerWaalsContact O-N 3.11Å; C499-C502 VanDerWaalsContact SG-SG 3.68Å; C499-Q503 WeakPolarHBondContact O-CA 3.38Å; C499-Q503 PolarHBondContact O-N 3.41Å; C499-R504 PolarHBondContact N-O 3.16Å; C499-F514 HydrophobicContact CB-CE2 4.37Å; C499-H517 VanDerWaalsContact CB-CD2 3.49Å; C499-H517 WeakPolarHBondContact CB-CD2 3.45Å; C499-H517 VanDerWaalsContact CB-NE2 3.31Å; C499-H517 WeakPolarHBondContact CB-NE2 3.33Å; C499-H517 PolarHBondContact SG-CD2 2.78Å; C499-H517 PolarHBondContact SG-NE2 3.19Å
500P79.3Confident71.5Confident104 Ų10494.2 Ų94.268%0.67551%0.512SS*.THydrogen-bonded Turntrans-68.9-11.3-177.728.2-35.9000113.9T498T498-P500 WeakPolarHBondContact O-CD 3.23Å
501V82.3Confident73.8Confident57 Ų5794.1 Ų94.135%0.34550%0.503SS..THydrogen-bonded Turntrans-93.8-37.7-177-170.60000112.4C499 V518 C521 L522C499-V501 PolarHBondContact O-N 2.86Å; C499-V501 VanDerWaalsContact O-N 3.11Å; V501-V518 HydrophobicContact CG2-CG1 4.14Å; V501-C521 HydrophobicContact CB-CB 3.88Å; V501-C521 HydrophobicContact CG1-CB 3.84Å; V501-L522 HydrophobicContact CG1-CD2 4.39Å; V501-L522 HydrophobicContact CG2-CD2 3.7Å; V501-L522 HydrophobicContact CG2-CG 3.96Å
502C83.8Confident75.3Confident40 Ų4088.4 Ų88.427%0.2748%0.482SS..THydrogen-bonded Turntrans-118.60.2-178.274.90000114.2C499 R504 H517C499-C502 VanDerWaalsContact SG-SG 3.68Å; C502-R504 PolarHBondContact O-N 3.18Å; C502-R504 VanDerWaalsContact O-N 3.09Å; C502-H517 PolarHBondContact SG-NE2 3.48Å
503Q83Confident77.3Confident169 Ų16987.2 Ų87.279%0.7947%0.471SS*.  trans5520.3-178.3-57-168.444.500115.3C499C499-Q503 WeakPolarHBondContact O-CA 3.38Å; C499-Q503 PolarHBondContact O-N 3.41Å
504R84.2Confident79.2Confident174 Ų17477.5 Ų77.566%0.65744%0.435SS*.PPolyproline II helixtrans-89.1125.8174.2-63.8176.3-178.41671.2110.2C499 C502 Q506C499-R504 PolarHBondContact N-O 3.16Å; C502-R504 PolarHBondContact O-N 3.18Å; C502-R504 VanDerWaalsContact O-N 3.09Å; R504-Q506 PolarHBondContact O-N 3.44Å; R504-Q506 PolarHBondContact O-NE2 2.91Å
505A85.1Confident80.8Confident53 Ų5379.2 Ų79.244%0.43844%0.441SS..EExtended strand (participates in β ladder)trans-55.4134.3161.400000109.8L496L496-A505 HydrophobicContact CB-CB 4.32Å
506Q83.5Confident82.1Confident36 Ų3679.6 Ų79.617%0.16843%0.433CS..EExtended strand (participates in β ladder)trans-102.3127.1172.2-55.5-52.4-68.900108.8L497 R504 T508 F514 H517L497-Q506 WeakPolarHBondContact O-CB 3.36Å; L497-Q506 PolarHBondContact O-N 3.44Å; R504-Q506 PolarHBondContact O-N 3.44Å; R504-Q506 PolarHBondContact O-NE2 2.91Å; Q506-T508 HydrophobicContact CB-CG2 4Å; Q506-T508 PolarHBondContact O-N 3.39Å; Q506-F514 HydrophobicContact CB-CD2 4.22Å; Q506-F514 HydrophobicContact CG-CD2 3.8Å; Q506-F514 HydrophobicContact CG-CE2 4.14Å; Q506-H517 PolarHBondContact NE2-NE2 3.33Å; Q506-H517 PolarHBondContact OE1-CE1 3.5Å; Q506-H517 PolarHBondContact OE1-ND1 2.87Å
507D77.7Confident82.7Confident149 Ų14977.6 Ų77.680%0.79742%0.421SS*.SBendtrans-75.457.5169.7-68.1-51.5000110.1L496L496-D507 WeakPolarHBondContact CD2-OD1 3.22Å
508T76.5Confident82.9Confident32 Ų3276.2 Ų76.220%0.19642%0.415CS..  trans-149135.1176.5-160.60000112.3Q506 D510 V513 F514Q506-T508 HydrophobicContact CB-CG2 4Å; Q506-T508 PolarHBondContact O-N 3.39Å; T508-D510 PolarHBondContact OG1-N 3.28Å; T508-V513 HydrophobicContact CG2-CB 4.09Å; T508-V513 HydrophobicContact CG2-CG1 4Å; T508-F514 HydrophobicContact CG2-CB 4.28Å
509D75.8Confident82.6Confident105 Ų10576.6 Ų76.656%0.56141%0.414SS*.  trans-95.2-9.2176.8-53.9-10.5000111S494 L511S494-D509 WeakPolarHBondContact CB-OD1 3.34Å; S494-D509 VanDerWaalsContact CB-OD2 3.23Å; S494-D509 WeakPolarHBondContact CB-OD2 3.29Å; S494-D509 PolarHBondContact OG-OD1 3.38Å; S494-D509 PolarHBondContact OG-OD2 3.32Å; D509-L511 PolarHBondContact O-N 2.97Å
510D82Confident82.5Confident85 Ų8581.3 Ų81.346%0.45544%0.439SS..  trans-81.4107.6178.2-174-12.2000109.9T508 A512 V513 F514T508-D510 PolarHBondContact OG1-N 3.28Å; D510-A512 PolarHBondContact O-N 3.19Å; D510-A512 VanDerWaalsContact O-N 3.16Å; D510-A512 VanDerWaalsContact OD1-CB 3.27Å; D510-A512 WeakPolarHBondContact OD1-CB 3.39Å; D510-A512 PolarHBondContact OD1-N 2.99Å; D510-V513 HydrophobicContact CB-CB 4.18Å; D510-V513 HydrophobicContact CB-CG2 3.92Å; D510-V513 PolarHBondContact O-N 3.33Å; D510-F514 PolarHBondContact O-N 3.46Å
511L82.1Confident82.7Confident104 Ų10476.9 Ų76.955%0.54541%0.41SS..Hα-helixtrans-58.9-25.4178.2-171.961.3000112.7D509 F514 N515D509-L511 PolarHBondContact O-N 2.97Å; L511-F514 HydrophobicContact CD1-CD1 4.07Å; L511-N515 WeakPolarHBondContact O-CB 3.22Å; L511-N515 PolarHBondContact O-N 3.38Å; L511-N515 PolarHBondContact O-ND2 3.29Å
512A81Confident82.6Confident65 Ų6577.2 Ų77.254%0.53741%0.41SS..Hα-helixtrans-71.8-39.6173.900000112D510 H516D510-A512 PolarHBondContact O-N 3.19Å; D510-A512 VanDerWaalsContact O-N 3.16Å; D510-A512 VanDerWaalsContact OD1-CB 3.27Å; D510-A512 WeakPolarHBondContact OD1-CB 3.39Å; D510-A512 PolarHBondContact OD1-N 2.99Å; A512-H516 VanDerWaalsContact O-CB 3.3Å; A512-H516 WeakPolarHBondContact O-CB 3.37Å; A512-H516 PolarHBondContact O-N 3.49Å
513V81.4Confident82Confident73 Ų7379.7 Ų79.744%0.44242%0.42SS..Hα-helixtrans-69.8-41174.9-179.30000110.6T508 D510 H516 H517T508-V513 HydrophobicContact CG2-CB 4.09Å; T508-V513 HydrophobicContact CG2-CG1 4Å; D510-V513 HydrophobicContact CB-CB 4.18Å; D510-V513 HydrophobicContact CB-CG2 3.92Å; D510-V513 PolarHBondContact O-N 3.33Å; V513-H516 PolarHBondContact O-N 3.41Å; V513-H517 PolarHBondContact O-N 3.09Å
514F89.1Confident81.4Confident24 Ų2476.1 Ų76.111%0.10540%0.404CS..Hα-helixtrans-60.9-49.6173.5178.6-101000112.1L497 C499 Q506 T508 D510 L511 H516 H517 V518L497-F514 HydrophobicContact CB-CD2 3.38Å; L497-F514 HydrophobicContact CB-CE2 3.55Å; L497-F514 HydrophobicContact CB-CG 3.91Å; L497-F514 HydrophobicContact CB-CZ 4.18Å; L497-F514 HydrophobicContact CD1-CB 3.85Å; L497-F514 HydrophobicContact CD1-CD1 4.31Å; L497-F514 HydrophobicContact CD1-CD2 4.18Å; L497-F514 HydrophobicContact CD1-CG 3.84Å; L497-F514 HydrophobicContact CG-CD2 4.43Å; L497-F514 WeakPolarHBondContact O-CE2 3.21Å; C499-F514 HydrophobicContact CB-CE2 4.37Å; Q506-F514 HydrophobicContact CB-CD2 4.22Å; Q506-F514 HydrophobicContact CG-CD2 3.8Å; Q506-F514 HydrophobicContact CG-CE2 4.14Å; T508-F514 HydrophobicContact CG2-CB 4.28Å; D510-F514 PolarHBondContact O-N 3.46Å; L511-F514 HydrophobicContact CD1-CD1 4.07Å; F514-H516 VanDerWaalsContact C-N 3.33Å; F514-H516 PolarHBondContact O-N 2.79Å; F514-H517 WeakPolarHBondContact O-CB 3.41Å; F514-H517 PolarHBondContact O-N 2.96Å; F514-H517 VanDerWaalsContact O-N 3.15Å; F514-V518 HydrophobicContact CD1-CG2 4.27Å; F514-V518 HydrophobicContact CE1-CG2 3.84Å; F514-V518 HydrophobicContact CE2-CG2 4.38Å; F514-V518 HydrophobicContact CZ-CG2 3.91Å; F514-V518 WeakPolarHBondContact O-CG2 3.37Å; F514-V518 PolarHBondContact O-N 2.71Å
515N83.5Confident79.9Confident76 Ų7673.7 Ų73.741%0.40640%0.4SS..Hα-helixtrans-62.3-40.2177.9-72-14.8000111.5L511 H517 V518 D519L511-N515 WeakPolarHBondContact O-CB 3.22Å; L511-N515 PolarHBondContact O-N 3.38Å; L511-N515 PolarHBondContact O-ND2 3.29Å; N515-H517 VanDerWaalsContact C-N 3.32Å; N515-H517 PolarHBondContact O-N 3.06Å; N515-V518 WeakPolarHBondContact O-CB 3.41Å; N515-V518 PolarHBondContact O-N 2.91Å; N515-V518 VanDerWaalsContact O-N 3.12Å; N515-D519 PolarHBondContact O-N 3.32Å
516H83.6Confident78.4Confident115 Ų11574.8 Ų74.853%0.53240%0.401SS..Hα-helixtrans-61.1-39.4174.5-176.553.7000112.5A512 V513 F514 D519 L520A512-H516 VanDerWaalsContact O-CB 3.3Å; A512-H516 WeakPolarHBondContact O-CB 3.37Å; A512-H516 PolarHBondContact O-N 3.49Å; V513-H516 PolarHBondContact O-N 3.41Å; F514-H516 VanDerWaalsContact C-N 3.33Å; F514-H516 PolarHBondContact O-N 2.79Å; H516-D519 PolarHBondContact O-N 2.87Å; H516-L520 VanDerWaalsContact O-CG 3.31Å; H516-L520 WeakPolarHBondContact O-CG 3.43Å; H516-L520 PolarHBondContact O-N 2.89Å
517H87Confident76.8Confident38 Ų3878.6 Ų78.618%0.17642%0.422CS..Hα-helixtrans-62.7-43.5171.8170.289.3000112.1C499 C502 Q506 V513 F514 N515 L520 C521C499-H517 VanDerWaalsContact CB-CD2 3.49Å; C499-H517 WeakPolarHBondContact CB-CD2 3.45Å; C499-H517 VanDerWaalsContact CB-NE2 3.31Å; C499-H517 WeakPolarHBondContact CB-NE2 3.33Å; C499-H517 PolarHBondContact SG-CD2 2.78Å; C499-H517 PolarHBondContact SG-NE2 3.19Å; C502-H517 PolarHBondContact SG-NE2 3.48Å; Q506-H517 PolarHBondContact NE2-NE2 3.33Å; Q506-H517 PolarHBondContact OE1-CE1 3.5Å; Q506-H517 PolarHBondContact OE1-ND1 2.87Å; V513-H517 PolarHBondContact O-N 3.09Å; F514-H517 WeakPolarHBondContact O-CB 3.41Å; F514-H517 PolarHBondContact O-N 2.96Å; F514-H517 VanDerWaalsContact O-N 3.15Å; N515-H517 VanDerWaalsContact C-N 3.32Å; N515-H517 PolarHBondContact O-N 3.06Å; H517-L520 PolarHBondContact O-N 2.96Å; H517-C521 PolarHBondContact O-N 3.37Å
518V86.5Confident75.6Confident22 Ų2277.7 Ų77.713%0.13341%0.412CS..Hα-helixtrans-61.2-45.8176173.80000111V501 F514 N515 L520 C521 L522V501-V518 HydrophobicContact CG2-CG1 4.14Å; F514-V518 HydrophobicContact CD1-CG2 4.27Å; F514-V518 HydrophobicContact CE1-CG2 3.84Å; F514-V518 HydrophobicContact CE2-CG2 4.38Å; F514-V518 HydrophobicContact CZ-CG2 3.91Å; F514-V518 WeakPolarHBondContact O-CG2 3.37Å; F514-V518 PolarHBondContact O-N 2.71Å; N515-V518 WeakPolarHBondContact O-CB 3.41Å; N515-V518 PolarHBondContact O-N 2.91Å; N515-V518 VanDerWaalsContact O-N 3.12Å; V518-L520 VanDerWaalsContact C-N 3.35Å; V518-L520 PolarHBondContact O-N 2.74Å; V518-C521 PolarHBondContact O-N 3.22Å; V518-L522 HydrophobicContact CG1-CD1 4.15Å; V518-L522 HydrophobicContact CG1-CG 4.34Å; V518-L522 WeakPolarHBondContact O-CB 3.43Å; V518-L522 WeakPolarHBondContact O-CG 3.47Å; V518-L522 PolarHBondContact O-N 3.22Å
519D82.9Confident74.2Confident88 Ų8883.6 Ų83.647%0.47144%0.438SS..Hα-helixtrans-59.8-42.2176.4-75.7-31.4000112.1N515 H516 L522 N523N515-D519 PolarHBondContact O-N 3.32Å; H516-D519 PolarHBondContact O-N 2.87Å; D519-L522 PolarHBondContact O-N 2.94Å; D519-N523 PolarHBondContact O-N 3.17Å; D519-N523 PolarHBondContact O-ND2 3.43Å
520L83.1Confident72.8Confident99 Ų9983.9 Ų83.952%0.51844%0.439SS..Hα-helixtrans-62.6-48.2174.7-73172.4000111.3H516 H517 V518 L522 N523 Q524H516-L520 VanDerWaalsContact O-CG 3.31Å; H516-L520 WeakPolarHBondContact O-CG 3.43Å; H516-L520 PolarHBondContact O-N 2.89Å; H517-L520 PolarHBondContact O-N 2.96Å; V518-L520 VanDerWaalsContact C-N 3.35Å; V518-L520 PolarHBondContact O-N 2.74Å; L520-L522 PolarHBondContact O-N 3.12Å; L520-N523 PolarHBondContact O-N 2.91Å; L520-Q524 PolarHBondContact O-N 2.81Å
521C83.3Confident71Confident11 Ų1181.7 Ų81.77%0.07444%0.436CS..Hα-helixtrans-64.6-35.7178.2-75.10000113.1V501 H517 V518 N523 Q524V501-C521 HydrophobicContact CB-CB 3.88Å; V501-C521 HydrophobicContact CG1-CB 3.84Å; H517-C521 PolarHBondContact O-N 3.37Å; V518-C521 PolarHBondContact O-N 3.22Å; C521-N523 PolarHBondContact O-N 3.48Å; C521-Q524 PolarHBondContact O-N 2.94Å
522L79.8Confident68.8Low64 Ų6480.5 Ų80.534%0.33545%0.449SS..Hα-helixtrans-60.5-34.2175.1-77.7175.7000112.6K67 V501 V518 D519 L520K67-L522 PolarHBondContact NZ-O 3.38Å; V501-L522 HydrophobicContact CG1-CD2 4.39Å; V501-L522 HydrophobicContact CG2-CD2 3.7Å; V501-L522 HydrophobicContact CG2-CG 3.96Å; V518-L522 HydrophobicContact CG1-CD1 4.15Å; V518-L522 HydrophobicContact CG1-CG 4.34Å; V518-L522 WeakPolarHBondContact O-CB 3.43Å; V518-L522 WeakPolarHBondContact O-CG 3.47Å; V518-L522 PolarHBondContact O-N 3.22Å; D519-L522 PolarHBondContact O-N 2.94Å; L520-L522 PolarHBondContact O-N 3.12Å
523N70.6Confident66.9Low92 Ų9286.5 Ų86.549%0.49247%0.466SS..Hα-helixtrans-88.5-13178.5-72.5-71.5000113.8D519 L520 C521 E525 V526 L527D519-N523 PolarHBondContact O-N 3.17Å; D519-N523 PolarHBondContact O-ND2 3.43Å; L520-N523 PolarHBondContact O-N 2.91Å; C521-N523 PolarHBondContact O-N 3.48Å; N523-E525 PolarHBondContact O-N 2.99Å; N523-V526 WeakPolarHBondContact O-CB 3.38Å; N523-V526 PolarHBondContact O-N 3.41Å; N523-L527 PolarHBondContact O-N 3.46Å
524Q70Confident64.5Low94 Ų9488.6 Ų88.644%0.43948%0.479SS..Hα-helixtrans-67.8-31.9-170.2-165.7157.210.300113.5L520 C521 V526 L527 H528L520-Q524 PolarHBondContact O-N 2.81Å; C521-Q524 PolarHBondContact O-N 2.94Å; Q524-V526 VanDerWaalsContact C-N 3.34Å; Q524-L527 PolarHBondContact O-N 3.42Å; Q524-H528 PolarHBondContact O-CD2 3.07Å; Q524-H528 PolarHBondContact O-N 3.15Å
525E54Low61.8Low123 Ų12392.2 Ų92.258%0.57551%0.513SS*.Hα-helixtrans-61.7-41170.1-66.5176.1138.900112.1K67 N523 L527 H528 E529K67-E525 IonicContact NZ-OE2 3.05Å; K67-E525 PolarHBondContact NZ-OE2 3.33Å; N523-E525 PolarHBondContact O-N 2.99Å; E525-L527 PolarHBondContact O-N 3.28Å; E525-H528 PolarHBondContact O-N 3.17Å; E525-E529 PolarHBondContact O-N 3.22Å
526V52.6Low59.1Low75 Ų7598 Ų9846%0.45554%0.535SS..Hα-helixtrans-65.9-31.6179.2-173.70000110.9N523 Q524 L530N523-V526 WeakPolarHBondContact O-CB 3.38Å; N523-V526 PolarHBondContact O-N 3.41Å; Q524-V526 VanDerWaalsContact C-N 3.34Å; V526-L530 HydrophobicContact CG1-CD1 4.4Å; V526-L530 WeakPolarHBondContact O-CD1 3.48Å; V526-L530 VanDerWaalsContact O-CG 3.3Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å
527L49.8Very low56.7Low117 Ų11799.4 Ų99.461%0.61355%0.552SS**Hα-helixtrans-76.1-36.5173.7-64.6172.9000112.1N523 Q524 E525 L530 G531N523-L527 PolarHBondContact O-N 3.46Å; Q524-L527 PolarHBondContact O-N 3.42Å; E525-L527 PolarHBondContact O-N 3.28Å; L527-L530 PolarHBondContact O-N 3.46Å; L527-G531 PolarHBondContact O-N 3.16Å
528H53.9Low53.9Low129 Ų129101.3 Ų101.360%0.59758%0.582SS**Hα-helixtrans-72.8-27174.8-88.4-87.2000114Q524 E525 L530Q524-H528 PolarHBondContact O-CD2 3.07Å; Q524-H528 PolarHBondContact O-N 3.15Å; E525-H528 PolarHBondContact O-N 3.17Å; H528-L530 PolarHBondContact O-N 3.49Å
529E47.2Very low51.1Low157 Ų157110.1 Ų110.173%0.73462%0.618SS**THydrogen-bonded Turntrans-70.4-19.6168.2-76-165.7139.400112.9E525E525-E529 PolarHBondContact O-N 3.22Å
530L46.5Very low48.5Very low111 Ų111111.7 Ų111.758%0.58163%0.633SS**THydrogen-bonded Turntrans-109.1-20.9-175.8-67.4175.1000114.3V526 L527 H528V526-L530 HydrophobicContact CG1-CD1 4.4Å; V526-L530 WeakPolarHBondContact O-CD1 3.48Å; V526-L530 VanDerWaalsContact O-CG 3.3Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; L527-L530 PolarHBondContact O-N 3.46Å; H528-L530 PolarHBondContact O-N 3.49Å
531G44.3Very low46.1Very low39 Ų39112.6 Ų112.640%0.40265%0.645SS.*SBendtrans-113.8114.6178.300000111.7L527L527-G531 PolarHBondContact O-N 3.16Å
532G34.9Very low43.5Very low78 Ų78117 Ų11780%0.80468%0.683SS**  trans-58.3151174.700000112.9T534G532-T534 PolarHBondContact O-N 2.97Å
533Q40.2Very low41.1Very low192 Ų192120.6 Ų120.690%0.89771%0.707SS**  trans-50.5116.8-169.6-59.81695.800115
534T32.1Very low39.1Very low116 Ų116125.5 Ų125.571%0.71272%0.723SS**  trans-146.1123.5146.553.50000109.6G532G532-T534 PolarHBondContact O-N 2.97Å
535A31.5Very low36.9Very low100 Ų100128.4 Ų128.483%0.82674%0.742SS**  trans-86.7142.7169.900000110.4
536F27.2Very low35.7Very low197 Ų197128.1 Ų128.186%0.86475%0.754SS**  trans-129.9128.9171.1-99.7-85000110.5
537T34.3Very low34.4Very low145 Ų145133.8 Ų133.889%0.8977%0.773SS**  trans-110.6124.8178.846.80000110.2
538G28.3Very low33.2Very low78 Ų78134 Ų13480%0.80478%0.784SS**  trans-173.3129.4176.200000112.4
539K27.1Very low31.9Very low208 Ų208134.1 Ų134.190%0.90479%0.793SS**PPolyproline II helixtrans-87139.1173-72.6-174.2174.8-177.10110.6
540P29Very low30.9Very low120 Ų120133.8 Ų133.878%0.77980%0.797SS**PPolyproline II helixtrans-78.1151.3164.433.1-33.4000111.4
541P30.9Very low30Very low119 Ų119133.6 Ų133.677%0.77380%0.804SS**PPolyproline II helixtrans-86.4152.8174.334.8-34.4000112.6
542A29.7Very low29.1Very low104 Ų104135.6 Ų135.686%0.8683%0.825SS**PPolyproline II helixtrans-87.6146.7176.500000112.8
543V28.6Very low28.9Very low138 Ų138140.9 Ų140.984%0.83683%0.829SS**  trans-134.2148.4176-177.40000109.6
544K28.3Very low28.7Very low195 Ų195136.3 Ų136.385%0.84882%0.815SS**  trans-97.4153.3-171.8-62.1177179.1179.20112.7
545N24.6Very low28.3Very low155 Ų155138.7 Ų138.783%0.82982%0.823SS**  trans-76145.3172-76.4-20.3000112.9
546S28.6Very low28.8Very low117 Ų117139 Ų13982%0.81882%0.816SS**  trans-154.1122.7154.758.60000109.9
547F24.9Very low28.7Very low195 Ų195140.2 Ų140.286%0.85582%0.815SS**  trans-87.7148174.1-84.4-103.6000111.7
548S26Very low28.6Very low121 Ų121142 Ų14285%0.84681%0.813SS**  trans-150.8151.1149580000110.1
549V26.5Very low28.6Very low131 Ų131142.4 Ų142.479%0.79481%0.809SS**  trans-114.8139.4-172.2175.50000109.3
550D25.2Very low28.8Very low151 Ų151137.3 Ų137.381%0.80780%0.799SS**  trans-157.3-179.6142.4-145.7-15.8000112.8
551S27.3Very low28.9Very low106 Ų106141.4 Ų141.474%0.74181%0.805SS**  trans-140.2141.3-153.1-6.60000110.9
552G25.4Very low28.8Very low81 Ų81139.4 Ų139.484%0.83581%0.806SS**  trans-177.6127.3175.700000116.7
553H31.4Very low28.8Very low190 Ų190144.6 Ų144.688%0.8881%0.809SS**  trans-106.4-178.4173.3-86.5-68.1000110.1
554P35.7Very low28.8Very low96 Ų96143.5 Ų143.562%0.62381%0.807SS**  -141.8149.4-50.939.2-22.5000115.9
555L24.5Very low28.9Very low166 Ų166143.1 Ų143.187%0.86981%0.805SS**  trans60.6-176149.1-63.7172.6000117.2
556P40.7Very low29.1Very low105 Ų105146 Ų14668%0.68281%0.805SS**  cis-129.6159.7-9.439.6-23.3000117.9
557R25.7Very low29.2Very low223 Ų223149.9 Ų149.984%0.84280%0.802SS**  trans33.1132.4140.3-59.4175.2176.6174.3-1.1122.5
558H31.5Very low29.4Very low183 Ų183146.9 Ų146.985%0.84779%0.794SS**  -177.8131.3116.2-92.8-75.3000107.4
559A28.5Very low29.5Very low86 Ų86147.4 Ų147.471%0.71179%0.793SS**  60.6127.87100000113.2
560S31.6Very low30.1Very low102 Ų102146.4 Ų146.471%0.71379%0.789SS**  cis-168.6170.69.765.10000114.5
561K30.7Very low30.3Very low206 Ų206145 Ų14590%0.89679%0.791SS**  trans40.9124.4149.1-65.9172-178.6175.30121.3
562G28.4Very low30.5Very low76 Ų76145.1 Ų145.178%0.78479%0.792SS**  trans-160.8161.4160.800000112.2
563K30.4Very low31.7Very low214 Ų214146.8 Ų146.893%0.9379%0.788SS**  trans-142.8140-174.2-72.7-175.1176.8-179.60115.3
564S29.3Very low32.1Very low115 Ų115143.4 Ų143.480%0.80478%0.783SS**  trans87.6142.8139.9-152.90000122.5
565K30.9Very low31.8Very low186 Ų186143.2 Ų143.281%0.80978%0.784SS**  trans95.996.9140.6-128.9177.3-175-176.70121.3
566R28.3Very low32Very low217 Ų217144.5 Ų144.582%0.81978%0.782SS**  trans34123.8139-84.3-174.3172.4176.1-1.2120.3
567R29.8Very low31.4Very low198 Ų198150 Ų15075%0.74780%0.795SS**  14014998.1-114.9-170.2171.5-170.91.7114.5
568D29.6Very low31.5Very low131 Ų131143.9 Ų143.970%0.70179%0.793SS**  trans67.7133.2154.4-49.8-23.2000121.6
569T28.2Very low31.3Very low133 Ų133144.5 Ų144.582%0.81679%0.793SS**  trans-91.6160.3176.7-100000110.6
570P39.9Very low31.2Very low110 Ų110145.1 Ų145.171%0.71479%0.793SS**  -156175.681.241.3-21.7000118
571S29.3Very low31.1Very low120 Ų120148.9 Ų148.984%0.83980%0.804SS**  trans76165.3153.477.90000120.8
572S30.8Very low31Very low110 Ų110142.2 Ų142.277%0.76979%0.793SS**  trans-167.2176.6-173.464.30000109.3
573P49.8Very low31.2Very low115 Ų115146.5 Ų146.575%0.74780%0.797SS**  cis-115-166.4-27.743.9-30.3000110.1
574P41.1Very low31.4Very low119 Ų119142.2 Ų142.277%0.77379%0.793SS**  -159163.174.341.6-19.5000119.6
575S28.5Very low31.9Very low93 Ų93143.4 Ų143.465%0.6579%0.79SS**  trans64.7113.4138.1176.60000124.5
576K29.2Very low32.2Very low193 Ų193139.1 Ų139.184%0.83978%0.78SS**  trans61.3110.4135.7-58.4173.1-174.6173.30121.8
577K27.6Very low32.6Very low219 Ų219134.9 Ų134.995%0.95277%0.772SS**  -177171107-101.1176.1-178.7177.90111.6
578A27.4Very low32.7Very low96 Ų96131.2 Ų131.279%0.79377%0.767SS**  trans-118.5149-167.600000114.6
579K27.5Very low33.1Very low195 Ų195133.1 Ų133.185%0.84877%0.769SS**  trans176.8106151.1-97.8170.6-179.8-173.70106.4
580S26.5Very low33.4Very low100 Ų100134.6 Ų134.670%0.69977%0.765SS**  66.794.176.2760000114.4
581L29.5Very low33.2Very low181 Ų181136.9 Ų136.995%0.94876%0.764SS**  trans-177.9133.8130.4-97.3162.8000108.1
582G28.8Very low33.5Very low65 Ų65145.1 Ų145.167%0.6778%0.776SS**  trans-103.5158.2179.300000112
583L33.4Very low33.7Very low167 Ų167146.9 Ų146.987%0.87478%0.777SS**  trans-113.2117.7159-107.277000108.7N585L583-N585 PolarHBondContact O-N 2.83Å
584C34Very low32.8Very low124 Ų124148.5 Ų148.584%0.83878%0.778SS**PPolyproline II helixtrans-74.5116.3171.2-59.20000109T586C584-T586 PolarHBondContact O-N 2.87Å
585N40Very low32.4Very low139 Ų139150.2 Ų150.274%0.74378%0.778SS**PPolyproline II helixtrans-77.3117166.1-72.8-74.8000108.1L583L583-N585 PolarHBondContact O-N 2.83Å
586T37.8Very low32.6Very low97 Ų97153.5 Ų153.560%0.59579%0.786SS**PPolyproline II helixtrans-77.8161.5-177.247.20000113.1C584 D588 K589C584-T586 PolarHBondContact O-N 2.87Å; T586-D588 PolarHBondContact O-N 3.03Å; T586-D588 VanDerWaalsContact O-N 3.16Å; T586-K589 PolarHBondContact O-N 3.5Å
587I36.3Very low32.8Very low128 Ų128151.1 Ų151.166%0.65678%0.783SS**G310 helixtrans-63.5-20.2-172.6-157166.8000114K589 F590 F591I587-K589 PolarHBondContact O-N 2.99Å; I587-F590 WeakPolarHBondContact O-CB 3.28Å; I587-F590 PolarHBondContact O-N 3.38Å; I587-F591 HydrophobicContact CG1-CE2 4.25Å
588D32.3Very low33.1Very low121 Ų121146.5 Ų146.565%0.64777%0.771SS**G310 helixtrans-49.7-29171.7-75.2-98.9000114.3T586 F590T586-D588 PolarHBondContact O-N 3.03Å; T586-D588 VanDerWaalsContact O-N 3.16Å; D588-F590 PolarHBondContact O-N 2.94Å
589K37.9Very low33.6Very low171 Ų171150.1 Ų150.174%0.74377%0.77SS**G310 helixtrans-81.21.4-179.5-143.1-177.6-177.9-174.20114.1T586 I587T586-K589 PolarHBondContact O-N 3.5Å; I587-K589 PolarHBondContact O-N 2.99Å
590F34.2Very low34Very low163 Ų163146.7 Ų146.772%0.71576%0.764SS**G310 helixtrans-100.3-16.5174.4-171.5-97000113I587 D588I587-F590 WeakPolarHBondContact O-CB 3.28Å; I587-F590 PolarHBondContact O-N 3.38Å; D588-F590 PolarHBondContact O-N 2.94Å
591F34.8Very low34.7Very low159 Ų159150.6 Ų150.670%0.69777%0.769SS**  trans-111.928.5-175.8-69.2-76.1000113.5I587I587-F591 HydrophobicContact CG1-CE2 4.25Å
592R36.9Very low35.1Very low292 Ų292147.8 Ų147.8100%1.10275%0.753SS**  trans-131.50166.3-75-168.5179.7-141.53.1110.3

Retrieved 592 of 592 residues in 330.2 ms (Link to these results)

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