A0A087YLF7_POEFO Loading...

calcium/calmodulin-dependent protein kinase

CaM-kinase II (CAMK2) is a prominent kinase in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087YLF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 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
1M33.6Very low60.1Low246 Ų246106.9 Ų106.9100%1.21262%0.617SS**  0131.40-73.2-165.2-168.300107.9
2A39Very low62.8Low88 Ų88101.7 Ų101.773%0.72758%0.582SS**  trans-74.6145.9-177.500000111.9
3T29.9Very low65.4Low135 Ų13594.4 Ų94.483%0.82854%0.54SS*.  trans-131.573.5152.740.80000107.5T5T3-T5 VanDerWaalsContact C-N 3.28Å; T3-T5 PolarHBondContact O-N 3.09Å
4T37.8Very low67.7Low129 Ų12994.6 Ų94.679%0.79153%0.534SS*.  trans-75.191.4158.5-47.70000105.6C6T4-C6 PolarHBondContact O-N 2.77Å
5T44.7Very low69.6Low115 Ų11592 Ų9271%0.70652%0.518SS*.  trans-68.690.3171-17.60000106.7T3 T7T3-T5 VanDerWaalsContact C-N 3.28Å; T3-T5 PolarHBondContact O-N 3.09Å; T5-T7 HydrophobicContact CG2-CG2 3.86Å; T5-T7 PolarHBondContact O-N 3.19Å
6C46.9Very low71.3Confident105 Ų10591 Ų9171%0.70950%0.504SS*.  trans-72.586.1166.7-1710000106.2T4 R8T4-C6 PolarHBondContact O-N 2.77Å; C6-R8 PolarHBondContact O-N 3.2Å
7T65.7Low72.6Confident54 Ų5491.2 Ų91.233%0.33150%0.5SS..  trans-80.398.4178.349.20000108.1T5 E12 I79T5-T7 HydrophobicContact CG2-CG2 3.86Å; T5-T7 PolarHBondContact O-N 3.19Å; T7-E12 WeakPolarHBondContact CB-OE1 3.38Å; T7-E12 WeakPolarHBondContact CG2-OE1 3.47Å; T7-E12 PolarHBondContact OG1-OE1 2.88Å; T7-I79 WeakPolarHBondContact O-CG2 3.34Å
8R87.3Confident73.8Confident135 Ų13592.2 Ų92.251%0.50950%0.501SS..  trans-63.4143.3169.1-60-179.3-64.1173.76107.9C6 T10 D11 E81C6-R8 PolarHBondContact O-N 3.2Å; R8-T10 PolarHBondContact O-N 3.21Å; R8-T10 VanDerWaalsContact O-N 3.17Å; R8-D11 HydrophobicContact CB-CB 4.47Å; R8-D11 WeakPolarHBondContact CB-OD2 3.47Å; R8-D11 IonicContact CZ-OD1 3.47Å; R8-D11 IonicContact CZ-OD2 3.55Å; R8-D11 IonicContact NE-OD1 2.71Å; R8-D11 PolarHBondContact NE-OD1 2.77Å; R8-D11 IonicContact NE-OD2 3.61Å; R8-D11 PolarHBondContact NE-OD2 2.82Å; R8-D11 IonicContact NH2-OD1 2.86Å; R8-D11 PolarHBondContact NH2-OD1 2.7Å; R8-D11 IonicContact NH2-OD2 2.71Å; R8-D11 PolarHBondContact NH2-OD2 2.93Å; R8-D11 WeakPolarHBondContact O-CB 3.32Å; R8-D11 PolarHBondContact O-N 2.68Å; R8-E81 WeakPolarHBondContact CA-OE1 3.45Å; R8-E81 VanDerWaalsContact CB-OE1 3.3Å; R8-E81 WeakPolarHBondContact CB-OE1 3.2Å
9F92.3Very high74.5Confident2 Ų291.8 Ų91.81%0.00950%0.498CS..Hα-helixtrans-50.9-42.9175.2171.1-81.3000110.5D11 E12 Y13 L15 C30 A41 I79 E81 Y86 I88F9-D11 PolarHBondContact O-N 2.77Å; F9-E12 PolarHBondContact O-N 2.72Å; F9-E12 VanDerWaalsContact O-N 3.16Å; F9-Y13 HydrophobicContact CD2-CD2 4.14Å; F9-Y13 HydrophobicContact CD2-CG 4.41Å; F9-Y13 HydrophobicContact CE2-CD2 4.17Å; F9-Y13 AromaticContact CE2-CG 4Å; F9-Y13 HydrophobicContact CE2-CG 4Å; F9-Y13 HydrophobicContact CZ-CG 4.24Å; F9-Y13 PolarHBondContact O-N 3.48Å; F9-L15 HydrophobicContact CE1-CD1 3.87Å; F9-L15 HydrophobicContact CE1-CD2 4.01Å; F9-L15 HydrophobicContact CE1-CG 3.52Å; F9-L15 HydrophobicContact CZ-CD1 4.32Å; F9-L15 HydrophobicContact CZ-CD2 3.64Å; F9-L15 HydrophobicContact CZ-CG 3.69Å; F9-C30 HydrophobicContact CZ-CB 3.99Å; F9-A41 HydrophobicContact CE2-CB 4.03Å; F9-A41 HydrophobicContact CZ-CB 4.31Å; F9-I79 HydrophobicContact CB-CD1 4.39Å; F9-I79 HydrophobicContact CB-CG2 4.44Å; F9-I79 HydrophobicContact CD2-CD1 4.36Å; F9-E81 PolarHBondContact N-OE1 3.39Å; F9-Y86 HydrophobicContact CB-CD1 4.15Å; F9-Y86 HydrophobicContact CB-CD2 3.92Å; F9-Y86 HydrophobicContact CB-CE1 4.1Å; F9-Y86 HydrophobicContact CB-CE2 3.89Å; F9-Y86 HydrophobicContact CB-CG 4.06Å; F9-Y86 HydrophobicContact CD1-CD1 4.26Å; F9-Y86 HydrophobicContact CD1-CE1 4.03Å; F9-Y86 AromaticContact CD2-CD1 3.45Å; F9-Y86 HydrophobicContact CD2-CD1 3.45Å; F9-Y86 VanDerWaalsContact CD2-CD1 3.45Å; F9-Y86 HydrophobicContact CD2-CD2 4.34Å; F9-Y86 HydrophobicContact CD2-CE1 4.05Å; F9-Y86 AromaticContact CD2-CG 3.62Å; F9-Y86 HydrophobicContact CD2-CG 3.62Å; F9-Y86 AromaticContact CE2-CD1 3.9Å; F9-Y86 HydrophobicContact CE2-CD1 3.9Å; F9-Y86 HydrophobicContact CE2-CG 4.38Å; F9-Y86 AromaticContact CG-CD1 3.65Å; F9-Y86 HydrophobicContact CG-CD1 3.65Å; F9-Y86 HydrophobicContact CG-CD2 4.3Å; F9-Y86 AromaticContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE2 4.41Å; F9-Y86 AromaticContact CG-CG 3.94Å; F9-Y86 HydrophobicContact CG-CG 3.94Å; F9-I88 HydrophobicContact CD2-CD1 4.02Å; F9-I88 HydrophobicContact CE2-CD1 3.6Å
10T91.6Very high74.8Confident86 Ų8688.6 Ų88.653%0.52849%0.487SS..Hα-helixtrans-68.1-19.1-178.855.50000114.5R8R8-T10 PolarHBondContact O-N 3.21Å; R8-T10 VanDerWaalsContact O-N 3.17Å
11D91.9Very high74.9Confident81 Ų8188.5 Ų88.543%0.43348%0.482SS..Hα-helixtrans-81.2-21.6177.2-60.9-25.3000111.2R8 F9R8-D11 HydrophobicContact CB-CB 4.47Å; R8-D11 WeakPolarHBondContact CB-OD2 3.47Å; R8-D11 IonicContact CZ-OD1 3.47Å; R8-D11 IonicContact CZ-OD2 3.55Å; R8-D11 IonicContact NE-OD1 2.71Å; R8-D11 PolarHBondContact NE-OD1 2.77Å; R8-D11 IonicContact NE-OD2 3.61Å; R8-D11 PolarHBondContact NE-OD2 2.82Å; R8-D11 IonicContact NH2-OD1 2.86Å; R8-D11 PolarHBondContact NH2-OD1 2.7Å; R8-D11 IonicContact NH2-OD2 2.71Å; R8-D11 PolarHBondContact NH2-OD2 2.93Å; R8-D11 WeakPolarHBondContact O-CB 3.32Å; R8-D11 PolarHBondContact O-N 2.68Å; F9-D11 PolarHBondContact O-N 2.77Å
12E93.4Very high76.6Confident44 Ų4478 Ų7821%0.20644%0.437CS..Hα-helixtrans-111.9-27.3-179-73.3-163-133.300114.3T7 F9 K32 L33T7-E12 WeakPolarHBondContact CB-OE1 3.38Å; T7-E12 WeakPolarHBondContact CG2-OE1 3.47Å; T7-E12 PolarHBondContact OG1-OE1 2.88Å; F9-E12 PolarHBondContact O-N 2.72Å; F9-E12 VanDerWaalsContact O-N 3.16Å; E12-K32 CarbonylContact O-C 3.53Å; E12-K32 WeakPolarHBondContact O-CA 3.31Å; E12-K32 WeakPolarHBondContact OE2-CE 3.49Å; E12-K32 IonicContact OE2-NZ 2.7Å; E12-K32 PolarHBondContact OE2-NZ 2.94Å; E12-L33 PolarHBondContact O-N 2.88Å
13Y96.7Very high77.9Confident7 Ų775.3 Ų75.33%0.02742%0.415CS..EExtended strand (participates in β ladder)trans-136.2146-170.8-59.8-92.6000112.4F9 V31 K32 Y39 D77 I79 I88F9-Y13 HydrophobicContact CD2-CD2 4.14Å; F9-Y13 HydrophobicContact CD2-CG 4.41Å; F9-Y13 HydrophobicContact CE2-CD2 4.17Å; F9-Y13 AromaticContact CE2-CG 4Å; F9-Y13 HydrophobicContact CE2-CG 4Å; F9-Y13 HydrophobicContact CZ-CG 4.24Å; F9-Y13 PolarHBondContact O-N 3.48Å; Y13-V31 CarbonylContact C-O 3.57Å; Y13-V31 VanDerWaalsContact CA-O 3.29Å; Y13-V31 WeakPolarHBondContact CA-O 3.45Å; Y13-K32 HydrophobicContact CD1-CB 3.83Å; Y13-K32 HydrophobicContact CD1-CG 4.24Å; Y13-K32 HydrophobicContact CE1-CB 3.65Å; Y13-K32 HydrophobicContact CE1-CD 3.97Å; Y13-K32 HydrophobicContact CE1-CG 3.86Å; Y13-K32 PolarHBondContact OH-NZ 2.83Å; Y13-Y39 HydrophobicContact CD1-CD2 4.43Å; Y13-Y39 AromaticContact CE1-CD2 3.95Å; Y13-Y39 HydrophobicContact CE1-CD2 3.95Å; Y13-Y39 HydrophobicContact CE1-CE2 4.2Å; Y13-D77 PolarHBondContact OH-OD2 2.89Å; Y13-I79 HydrophobicContact CD2-CD1 4.14Å; Y13-I79 HydrophobicContact CE2-CD1 3.86Å; Y13-I88 HydrophobicContact CE1-CG2 3.96Å; Y13-I88 HydrophobicContact CE2-CG1 4.45Å
14Q97.1Very high80.1Confident97 Ų9771.7 Ų71.745%0.45339%0.387SS..EExtended strand (participates in β ladder)trans-109.4130.6171.5-175.6174.59.900110.5Y16 C30 V31 L33Q14-Y16 HydrophobicContact CB-CE2 3.99Å; Q14-Y16 HydrophobicContact CG-CE2 3.82Å; Q14-Y16 WeakPolarHBondContact O-CD2 3.34Å; Q14-Y16 WeakPolarHBondContact O-CE2 3.28Å; Q14-Y16 PolarHBondContact OE1-OH 3.27Å; Q14-Y16 VanDerWaalsContact OE1-OH 3.09Å; Q14-C30 CarbonylContact O-C 3.49Å; Q14-C30 WeakPolarHBondContact O-CA 3.39Å; Q14-C30 VanDerWaalsContact O-CB 3.28Å; Q14-C30 WeakPolarHBondContact O-CB 3.43Å; Q14-V31 PolarHBondContact N-O 3.31Å; Q14-V31 PolarHBondContact O-N 2.8Å; Q14-L33 HydrophobicContact CB-CD2 4.05Å
15L96.8Very high82.2Confident56 Ų5666.6 Ų66.629%0.29336%0.357SS..EExtended strand (participates in β ladder)trans-86144.9178.1-74.7166.2000112.7F9 R28 C30 A41 I43F9-L15 HydrophobicContact CE1-CD1 3.87Å; F9-L15 HydrophobicContact CE1-CD2 4.01Å; F9-L15 HydrophobicContact CE1-CG 3.52Å; F9-L15 HydrophobicContact CZ-CD1 4.32Å; F9-L15 HydrophobicContact CZ-CD2 3.64Å; F9-L15 HydrophobicContact CZ-CG 3.69Å; L15-R28 HydrophobicContact CD2-CB 3.91Å; L15-C30 HydrophobicContact CD2-CB 4.09Å; L15-A41 HydrophobicContact CD2-CB 4.1Å; L15-I43 HydrophobicContact CD1-CD1 3.77Å; L15-I43 HydrophobicContact CD2-CD1 3.78Å; L15-I43 HydrophobicContact CG-CD1 4.46Å
16Y96.3Very high84.4Confident76 Ų7662.7 Ų62.730%0.29833%0.333SS..EExtended strand (participates in β ladder)trans-129.8-148.3178.5-66.9-94.7000111Q14 R28 R29 V31Q14-Y16 HydrophobicContact CB-CE2 3.99Å; Q14-Y16 HydrophobicContact CG-CE2 3.82Å; Q14-Y16 WeakPolarHBondContact O-CD2 3.34Å; Q14-Y16 WeakPolarHBondContact O-CE2 3.28Å; Q14-Y16 PolarHBondContact OE1-OH 3.27Å; Q14-Y16 VanDerWaalsContact OE1-OH 3.09Å; Y16-R28 PolarHBondContact O-NE 3.32Å; Y16-R28 PolarHBondContact O-NH2 3.37Å; Y16-R29 PolarHBondContact N-O 3.17Å; Y16-V31 HydrophobicContact CD2-CG2 3.92Å; Y16-V31 HydrophobicContact CE2-CB 3.8Å; Y16-V31 HydrophobicContact CE2-CG2 3.38Å
17E94.1Very high86.5Confident94 Ų9459.6 Ų59.644%0.43931%0.311SS..EExtended strand (participates in β ladder)trans-61.3157.6-173.471.6-74.5170.800114.3L19 R28 R29E17-L19 HydrophobicContact CG-CD2 4.4Å; E17-R28 CarbonylContact O-C 3.6Å; E17-R28 VanDerWaalsContact O-CA 3.26Å; E17-R28 WeakPolarHBondContact O-CA 3.4Å; E17-R28 WeakPolarHBondContact O-CB 3.1Å; E17-R29 VanDerWaalsContact CD-NE 3.34Å; E17-R29 PolarHBondContact O-N 2.95Å; E17-R29 WeakPolarHBondContact OE1-CD 3.49Å; E17-R29 IonicContact OE1-CZ 3.03Å; E17-R29 IonicContact OE1-NE 2.72Å; E17-R29 PolarHBondContact OE1-NE 3.17Å; E17-R29 IonicContact OE1-NH2 3.72Å; E17-R29 IonicContact OE2-CZ 3.82Å; E17-R29 IonicContact OE2-NE 3.21Å; E17-R29 PolarHBondContact OE2-NE 2.88Å; E17-R29 IonicContact OE2-NH2 2.77Å; E17-R29 PolarHBondContact OE2-NH2 2.86Å
18E93.6Very high88Confident110 Ų11061.4 Ų61.451%0.51431%0.312SS..EExtended strand (participates in β ladder)trans-75.5131.4172.5-176.9173134.700110.5V26 R28E18-V26 VanDerWaalsContact CD-CG2 3.46Å; E18-V26 HydrophobicContact CG-CG2 3.58Å; E18-V26 VanDerWaalsContact OE2-CG2 3.31Å; E18-V26 WeakPolarHBondContact OE2-CG2 3.29Å; E18-R28 HydrophobicContact CB-CG 4.49Å
19L86.7Confident88.4Confident84 Ų8456.9 Ų56.944%0.4430%0.295SS..EExtended strand (participates in β ladder)trans-101.8-27177.3-55.8176000111.6E17 V27 R29 A40 L91E17-L19 HydrophobicContact CG-CD2 4.4Å; L19-V27 HydrophobicContact CB-CG1 4.32Å; L19-V27 HydrophobicContact CD1-CG1 4.41Å; L19-V27 PolarHBondContact N-O 2.81Å; L19-R29 HydrophobicContact CD1-CB 4.12Å; L19-R29 HydrophobicContact CD2-CB 4.32Å; L19-R29 HydrophobicContact CG-CB 4.34Å; L19-A40 HydrophobicContact CD1-CB 4.13Å; L19-L91 HydrophobicContact CD1-CD1 3.52Å
20G80.2Confident88.7Confident28 Ų2856.8 Ų56.829%0.28929%0.294SS..EExtended strand (participates in β ladder)trans-176.8166.3177.900000112.9V27G20-V27 PolarHBondContact N-O 3.33Å; G20-V27 PolarHBondContact O-N 3.32Å
21K78Confident89Confident86 Ų8653.6 Ų53.637%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-136.5131.3-176.9-166173.1-177.1-179.80110.7V309K21-V309 HydrophobicContact CD-CG1 4Å; K21-V309 HydrophobicContact CD-CG2 4.09Å; K21-V309 VanDerWaalsContact CE-CG1 3.44Å; K21-V309 HydrophobicContact CG-CG2 4.18Å
22G69.2Low89.2Confident26 Ų2651.5 Ų51.527%0.26826%0.262SS..  trans-108.5-176.816900000110.9S25G22-S25 PolarHBondContact N-O 2.79Å
23A66.4Low89.3Confident32 Ų3253.9 Ų53.926%0.26428%0.275SS..SBendtrans-55.8-57.517900000111.6L308 N312A23-L308 HydrophobicContact CB-CB 4.47Å; A23-N312 VanDerWaalsContact C-ND2 3.3Å; A23-N312 WeakPolarHBondContact O-CB 3.25Å; A23-N312 PolarHBondContact O-ND2 3.14Å
24F74.9Confident89.1Confident58 Ų5858.5 Ų58.525%0.25431%0.308SS..SBendtrans-109.39.4-173.3-51.2-72.6000114.1N45 K48 L49 N312F24-N45 PolarHBondContact O-N 3.17Å; F24-N45 VanDerWaalsContact O-N 3.14Å; F24-K48 HydrophobicContact CD1-CB 4.41Å; F24-L49 HydrophobicContact CB-CD2 3.73Å; F24-L49 HydrophobicContact CD1-CD2 4.34Å; F24-L49 HydrophobicContact CD2-CD2 4.16Å; F24-L49 HydrophobicContact CG-CD2 3.84Å; F24-N312 WeakPolarHBondContact CD1-OD1 3.48Å; F24-N312 VanDerWaalsContact CE1-OD1 3.25Å; F24-N312 WeakPolarHBondContact CE1-OD1 3.49Å
25S83.6Confident89Confident23 Ų2358.3 Ų58.316%0.16131%0.313CS..EExtended strand (participates in β ladder)trans-145.5150.7-172.362.60000112.5G22 I43G22-S25 PolarHBondContact N-O 2.79Å; S25-I43 CarbonylContact C-O 3.57Å; S25-I43 WeakPolarHBondContact CA-O 3.31Å; S25-I43 WeakPolarHBondContact CB-O 3.31Å
26V89.3Confident88.9Confident32 Ų3258 Ų5819%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-119.6140.4168.364.70000109E18 R28 I43E18-V26 VanDerWaalsContact CD-CG2 3.46Å; E18-V26 HydrophobicContact CG-CG2 3.58Å; E18-V26 VanDerWaalsContact OE2-CG2 3.31Å; E18-V26 WeakPolarHBondContact OE2-CG2 3.29Å; V26-R28 HydrophobicContact CG1-CG 4.4Å; V26-R28 HydrophobicContact CG2-CG 4.1Å; V26-I43 HydrophobicContact CG1-CB 3.95Å; V26-I43 HydrophobicContact CG1-CD1 4.12Å; V26-I43 HydrophobicContact CG1-CG1 4.36Å; V26-I43 PolarHBondContact N-O 2.83Å; V26-I43 PolarHBondContact O-N 3.45Å
27V92.3Very high88.9Confident41 Ų4159.6 Ų59.625%0.24833%0.334CS..EExtended strand (participates in β ladder)trans-102.8123.4173.7-173.70000107.8L19 G20 A40 A41 K42L19-V27 HydrophobicContact CB-CG1 4.32Å; L19-V27 HydrophobicContact CD1-CG1 4.41Å; L19-V27 PolarHBondContact N-O 2.81Å; G20-V27 PolarHBondContact N-O 3.33Å; G20-V27 PolarHBondContact O-N 3.32Å; V27-A40 HydrophobicContact CG1-CB 4.09Å; V27-A41 WeakPolarHBondContact CA-O 3.42Å; V27-K42 HydrophobicContact CG2-CB 4.21Å; V27-K42 HydrophobicContact CG2-CG 4.18Å
28R96Very high89.1Confident92 Ų9259.1 Ų59.135%0.34733%0.331SS..EExtended strand (participates in β ladder)trans-126.5149.6178.6-62.5-174.470166.92.4110.4L15 Y16 E17 E18 V26 A41 I43L15-R28 HydrophobicContact CD2-CB 3.91Å; Y16-R28 PolarHBondContact O-NE 3.32Å; Y16-R28 PolarHBondContact O-NH2 3.37Å; E17-R28 CarbonylContact O-C 3.6Å; E17-R28 VanDerWaalsContact O-CA 3.26Å; E17-R28 WeakPolarHBondContact O-CA 3.4Å; E17-R28 WeakPolarHBondContact O-CB 3.1Å; E18-R28 HydrophobicContact CB-CG 4.49Å; V26-R28 HydrophobicContact CG1-CG 4.4Å; V26-R28 HydrophobicContact CG2-CG 4.1Å; R28-A41 PolarHBondContact N-O 2.9Å; R28-A41 PolarHBondContact O-N 2.76Å; R28-I43 HydrophobicContact CB-CD1 4.5Å; R28-I43 HydrophobicContact CG-CD1 4.24Å
29R96.9Very high89.3Confident39 Ų3955.4 Ų55.415%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-65.6139.5167.6-174.5173.661.682.27.4108.8Y16 E17 L19 E38 Y39 L91Y16-R29 PolarHBondContact N-O 3.17Å; E17-R29 VanDerWaalsContact CD-NE 3.34Å; E17-R29 PolarHBondContact O-N 2.95Å; E17-R29 WeakPolarHBondContact OE1-CD 3.49Å; E17-R29 IonicContact OE1-CZ 3.03Å; E17-R29 IonicContact OE1-NE 2.72Å; E17-R29 PolarHBondContact OE1-NE 3.17Å; E17-R29 IonicContact OE1-NH2 3.72Å; E17-R29 IonicContact OE2-CZ 3.82Å; E17-R29 IonicContact OE2-NE 3.21Å; E17-R29 PolarHBondContact OE2-NE 2.88Å; E17-R29 IonicContact OE2-NH2 2.77Å; E17-R29 PolarHBondContact OE2-NH2 2.86Å; L19-R29 HydrophobicContact CD1-CB 4.12Å; L19-R29 HydrophobicContact CD2-CB 4.32Å; L19-R29 HydrophobicContact CG-CB 4.34Å; R29-E38 IonicContact CZ-OE1 3.77Å; R29-E38 IonicContact NE-OE1 3.89Å; R29-E38 IonicContact NH1-OE1 3.96Å; R29-E38 PolarHBondContact NH1-OE1 3.08Å; R29-Y39 WeakPolarHBondContact CA-O 3.21Å; R29-L91 HydrophobicContact CG-CD1 4.38Å; R29-L91 HydrophobicContact CG-CD2 3.96Å
30C97.5Very high89.8Confident0 Ų051.9 Ų51.90%030%0.296CS..EExtended strand (participates in β ladder)trans-136.6159.2170.371.80000111.8F9 Q14 L15 E38 Y39 A41F9-C30 HydrophobicContact CZ-CB 3.99Å; Q14-C30 CarbonylContact O-C 3.49Å; Q14-C30 WeakPolarHBondContact O-CA 3.39Å; Q14-C30 VanDerWaalsContact O-CB 3.28Å; Q14-C30 WeakPolarHBondContact O-CB 3.43Å; L15-C30 HydrophobicContact CD2-CB 4.09Å; C30-E38 CarbonylContact O-C 3.58Å; C30-E38 WeakPolarHBondContact O-CA 3.4Å; C30-Y39 PolarHBondContact N-O 3.35Å; C30-Y39 PolarHBondContact O-N 2.62Å; C30-A41 HydrophobicContact CB-CB 4.22Å
31V97.4Very high90.5Very high19 Ų1950.5 Ų50.512%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-124.1130.3177.8-179.90000108.8Y13 Q14 Y16 L33 G36 Q37 E38Y13-V31 CarbonylContact C-O 3.57Å; Y13-V31 VanDerWaalsContact CA-O 3.29Å; Y13-V31 WeakPolarHBondContact CA-O 3.45Å; Q14-V31 PolarHBondContact N-O 3.31Å; Q14-V31 PolarHBondContact O-N 2.8Å; Y16-V31 HydrophobicContact CD2-CG2 3.92Å; Y16-V31 HydrophobicContact CE2-CB 3.8Å; Y16-V31 HydrophobicContact CE2-CG2 3.38Å; V31-L33 PolarHBondContact O-N 3.15Å; V31-G36 WeakPolarHBondContact CG1-O 3.25Å; V31-Q37 WeakPolarHBondContact CA-O 3.37Å; V31-E38 HydrophobicContact CG2-CG 4.12Å
32K96.7Very high91.3Very high37 Ų3748 Ų4816%0.16127%0.271CS..EExtended strand (participates in β ladder)trans-74.9121.5175-171.4165.8-170.2137.90110E12 Y13 C34 T35 G36 Q37 Y39E12-K32 CarbonylContact O-C 3.53Å; E12-K32 WeakPolarHBondContact O-CA 3.31Å; E12-K32 WeakPolarHBondContact OE2-CE 3.49Å; E12-K32 IonicContact OE2-NZ 2.7Å; E12-K32 PolarHBondContact OE2-NZ 2.94Å; Y13-K32 HydrophobicContact CD1-CB 3.83Å; Y13-K32 HydrophobicContact CD1-CG 4.24Å; Y13-K32 HydrophobicContact CE1-CB 3.65Å; Y13-K32 HydrophobicContact CE1-CD 3.97Å; Y13-K32 HydrophobicContact CE1-CG 3.86Å; Y13-K32 PolarHBondContact OH-NZ 2.83Å; K32-C34 VanDerWaalsContact CE-SG 3.5Å; K32-C34 PolarHBondContact O-N 3.23Å; K32-T35 PolarHBondContact O-N 2.87Å; K32-G36 WeakPolarHBondContact O-CA 3.25Å; K32-G36 PolarHBondContact O-N 2.94Å; K32-Q37 PolarHBondContact N-O 2.8Å; K32-Y39 HydrophobicContact CB-CD2 4.29Å; K32-Y39 HydrophobicContact CB-CE2 3.8Å
33L95Very high92.5Very high95 Ų9547.6 Ų47.650%0.49726%0.263SS..THydrogen-bonded Turntrans-61.4-39-169.7-68.2175.5000113.3E12 Q14 V31E12-L33 PolarHBondContact O-N 2.88Å; Q14-L33 HydrophobicContact CB-CD2 4.05Å; V31-L33 PolarHBondContact O-N 3.15Å
34C93.8Very high93.6Very high104 Ų10446.5 Ų46.570%0.70325%0.252SS*.THydrogen-bonded Turntrans-77-22.4-17660.30000114.4K32K32-C34 VanDerWaalsContact CE-SG 3.5Å; K32-C34 PolarHBondContact O-N 3.23Å
35T95.3Very high94.3Very high92 Ų9245.4 Ų45.456%0.56425%0.249SC*.THydrogen-bonded Turntrans-117.4-18.4-176.159.70000113.9K32 Q37K32-T35 PolarHBondContact O-N 2.87Å; T35-Q37 PolarHBondContact O-N 3.35Å; T35-Q37 WeakPolarHBondContact OG1-CB 3.44Å; T35-Q37 PolarHBondContact OG1-N 3.47Å
36G94.4Very high94.5Very high50 Ų5045.4 Ų45.452%0.51525%0.248SC..  trans70.76.7-169.600000114.1V31 K32V31-G36 WeakPolarHBondContact CG1-O 3.25Å; K32-G36 WeakPolarHBondContact O-CA 3.25Å; K32-G36 PolarHBondContact O-N 2.94Å
37Q96.4Very high94.2Very high109 Ų10950.8 Ų50.851%0.50927%0.269SS..  trans-74.2135.8-178.2-176.164.144.200111.2V31 K32 T35 Y39V31-Q37 WeakPolarHBondContact CA-O 3.37Å; K32-Q37 PolarHBondContact N-O 2.8Å; T35-Q37 PolarHBondContact O-N 3.35Å; T35-Q37 WeakPolarHBondContact OG1-CB 3.44Å; T35-Q37 PolarHBondContact OG1-N 3.47Å; Q37-Y39 HydrophobicContact CB-CE2 3.77Å; Q37-Y39 HydrophobicContact CG-CD2 4.45Å; Q37-Y39 HydrophobicContact CG-CE1 4.29Å; Q37-Y39 HydrophobicContact CG-CE2 3.62Å; Q37-Y39 WeakPolarHBondContact CG-OH 3.4Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.38Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.34Å
38E97.3Very high93.5Very high84 Ų8451.3 Ų51.339%0.39327%0.268SS..EExtended strand (participates in β ladder)trans-89146.2179.3-48-161.2110.800113.1R29 C30 V31 L91R29-E38 IonicContact CZ-OE1 3.77Å; R29-E38 IonicContact NE-OE1 3.89Å; R29-E38 IonicContact NH1-OE1 3.96Å; R29-E38 PolarHBondContact NH1-OE1 3.08Å; C30-E38 CarbonylContact O-C 3.58Å; C30-E38 WeakPolarHBondContact O-CA 3.4Å; V31-E38 HydrophobicContact CG2-CG 4.12Å; E38-L91 HydrophobicContact CB-CD2 3.76Å
39Y97.4Very high92.6Very high32 Ų3248.1 Ų48.113%0.12526%0.257CS..EExtended strand (participates in β ladder)trans-145.5170.1-178.4-61.7-82.5000111.4Y13 R29 C30 K32 Q37 H76 I88 F89Y13-Y39 HydrophobicContact CD1-CD2 4.43Å; Y13-Y39 AromaticContact CE1-CD2 3.95Å; Y13-Y39 HydrophobicContact CE1-CD2 3.95Å; Y13-Y39 HydrophobicContact CE1-CE2 4.2Å; R29-Y39 WeakPolarHBondContact CA-O 3.21Å; C30-Y39 PolarHBondContact N-O 3.35Å; C30-Y39 PolarHBondContact O-N 2.62Å; K32-Y39 HydrophobicContact CB-CD2 4.29Å; K32-Y39 HydrophobicContact CB-CE2 3.8Å; Q37-Y39 HydrophobicContact CB-CE2 3.77Å; Q37-Y39 HydrophobicContact CG-CD2 4.45Å; Q37-Y39 HydrophobicContact CG-CE1 4.29Å; Q37-Y39 HydrophobicContact CG-CE2 3.62Å; Q37-Y39 WeakPolarHBondContact CG-OH 3.4Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.38Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.34Å; Y39-H76 AromaticContact CD1-CD2 3.8Å; Y39-H76 HydrophobicContact CE1-CB 4.19Å; Y39-H76 AromaticContact CE1-CD2 3.63Å; Y39-H76 AromaticContact CE1-CE1 3.99Å; Y39-H76 AromaticContact CE1-CG 3.63Å; Y39-H76 AromaticContact CE1-ND1 3.9Å; Y39-H76 AromaticContact CE1-NE2 3.85Å; Y39-I88 HydrophobicContact CD1-CG2 3.96Å; Y39-I88 HydrophobicContact CD2-CG2 4.32Å; Y39-I88 HydrophobicContact CG-CG2 3.7Å; Y39-F89 WeakPolarHBondContact CB-O 3.46Å
40A96.9Very high91.7Very high10 Ų1049 Ų498%0.08327%0.269CS..EExtended strand (participates in β ladder)trans-107118.5166.700000109.9L19 V27 F89 L91L19-A40 HydrophobicContact CD1-CB 4.13Å; V27-A40 HydrophobicContact CG1-CB 4.09Å; A40-F89 PolarHBondContact N-O 3.31Å; A40-F89 PolarHBondContact O-N 3.19Å; A40-L91 HydrophobicContact CB-CD1 4.18Å
41A96.4Very high90.9Very high0 Ų052.9 Ų52.90%030%0.302CS..EExtended strand (participates in β ladder)trans-94.6113.3174.900000110.1F9 L15 V27 R28 C30 I43 I88F9-A41 HydrophobicContact CE2-CB 4.03Å; F9-A41 HydrophobicContact CZ-CB 4.31Å; L15-A41 HydrophobicContact CD2-CB 4.1Å; V27-A41 WeakPolarHBondContact CA-O 3.42Å; R28-A41 PolarHBondContact N-O 2.9Å; R28-A41 PolarHBondContact O-N 2.76Å; C30-A41 HydrophobicContact CB-CB 4.22Å; A41-I43 HydrophobicContact CB-CG1 4.36Å; A41-I43 PolarHBondContact O-N 3.42Å; A41-I88 HydrophobicContact CB-CD1 3.81Å
42K94.1Very high90Very high32 Ų3258.3 Ų58.314%0.13932%0.32CS..EExtended strand (participates in β ladder)trans-83.9107.2166-176.5176.1-179.5-179.90108V27 I44 E60 Y86 L87 F89V27-K42 HydrophobicContact CG2-CB 4.21Å; V27-K42 HydrophobicContact CG2-CG 4.18Å; K42-I44 HydrophobicContact CG-CD1 4.17Å; K42-I44 HydrophobicContact CG-CG1 4.27Å; K42-E60 IonicContact NZ-OE1 2.84Å; K42-E60 PolarHBondContact NZ-OE1 3.24Å; K42-E60 IonicContact NZ-OE2 3.23Å; K42-Y86 WeakPolarHBondContact O-CA 3.39Å; K42-L87 HydrophobicContact CB-CB 4.31Å; K42-L87 PolarHBondContact N-O 3.14Å; K42-L87 PolarHBondContact O-N 3.01Å; K42-F89 HydrophobicContact CB-CD2 4.29Å; K42-F89 HydrophobicContact CB-CE2 4.06Å; K42-F89 HydrophobicContact CD-CE2 4.31Å
43I94.1Very high89.3Confident18 Ų1858.1 Ų58.19%0.09232%0.321CS..EExtended strand (participates in β ladder)trans-98.2114.2-176.9-45.9175000108L15 S25 V26 R28 A41 F84 Y86L15-I43 HydrophobicContact CD1-CD1 3.77Å; L15-I43 HydrophobicContact CD2-CD1 3.78Å; L15-I43 HydrophobicContact CG-CD1 4.46Å; S25-I43 CarbonylContact C-O 3.57Å; S25-I43 WeakPolarHBondContact CA-O 3.31Å; S25-I43 WeakPolarHBondContact CB-O 3.31Å; V26-I43 HydrophobicContact CG1-CB 3.95Å; V26-I43 HydrophobicContact CG1-CD1 4.12Å; V26-I43 HydrophobicContact CG1-CG1 4.36Å; V26-I43 PolarHBondContact N-O 2.83Å; V26-I43 PolarHBondContact O-N 3.45Å; R28-I43 HydrophobicContact CB-CD1 4.5Å; R28-I43 HydrophobicContact CG-CD1 4.24Å; A41-I43 HydrophobicContact CB-CG1 4.36Å; A41-I43 PolarHBondContact O-N 3.42Å; I43-F84 HydrophobicContact CG2-CD1 4.01Å; I43-Y86 HydrophobicContact CB-CD1 4.36Å; I43-Y86 HydrophobicContact CB-CE1 4.49Å; I43-Y86 HydrophobicContact CD1-CE1 4.4Å; I43-Y86 HydrophobicContact CG1-CD1 3.92Å; I43-Y86 HydrophobicContact CG1-CE1 4.17Å; I43-Y86 HydrophobicContact CG2-CD1 3.99Å; I43-Y86 HydrophobicContact CG2-CE1 3.73Å
44I90.8Very high88.7Confident10 Ų1056.9 Ų56.95%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-108.7130.1-177.5-61.2127.6000109.1K42 T46 L49 L57 F84 H85 L87K42-I44 HydrophobicContact CG-CD1 4.17Å; K42-I44 HydrophobicContact CG-CG1 4.27Å; I44-T46 PolarHBondContact O-N 2.92Å; I44-L49 HydrophobicContact CG2-CD1 3.82Å; I44-L49 HydrophobicContact CG2-CD2 4.48Å; I44-L49 HydrophobicContact CG2-CG 4.44Å; I44-L57 HydrophobicContact CD1-CD1 3.52Å; I44-L57 HydrophobicContact CG1-CD1 4.49Å; I44-L57 HydrophobicContact CG2-CD2 4.2Å; I44-F84 CarbonylContact O-C 3.55Å; I44-F84 VanDerWaalsContact O-CA 3.25Å; I44-F84 WeakPolarHBondContact O-CA 3.44Å; I44-H85 HydrophobicContact CB-CB 4.46Å; I44-H85 PolarHBondContact N-O 3.24Å; I44-H85 PolarHBondContact O-N 3.46Å; I44-L87 HydrophobicContact CD1-CD1 3.95Å; I44-L87 HydrophobicContact CD1-CG 4.11Å
45N88.6Confident88.3Confident34 Ų3458.3 Ų58.318%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-84.6101.6175.3-174.6-33000109.7F24 K47 K48 G83 F84F24-N45 PolarHBondContact O-N 3.17Å; F24-N45 VanDerWaalsContact O-N 3.14Å; N45-K47 VanDerWaalsContact C-N 3.28Å; N45-K47 PolarHBondContact O-N 3.19Å; N45-K47 WeakPolarHBondContact OD1-CB 3.1Å; N45-K47 PolarHBondContact OD1-N 2.84Å; N45-K47 VanDerWaalsContact OD1-N 3.09Å; N45-K48 HydrophobicContact CB-CD 4.47Å; N45-K48 HydrophobicContact CB-CG 4.47Å; N45-K48 WeakPolarHBondContact ND2-CE 3.33Å; N45-K48 PolarHBondContact O-N 3.39Å; N45-G83 PolarHBondContact OD1-O 3.16Å; N45-F84 HydrophobicContact CB-CD1 4.27Å; N45-F84 HydrophobicContact CB-CE1 4.01Å
46T87.4Confident87.8Confident23 Ų2357 Ų5714%0.14130%0.295CS..G310 helixtrans-70.8-23.3-175.556.80000112.7I44 K48 L49 H54 L57 G83 F84 H85I44-T46 PolarHBondContact O-N 2.92Å; T46-K48 PolarHBondContact O-N 3.04Å; T46-L49 HydrophobicContact CG2-CD1 4.42Å; T46-L49 PolarHBondContact O-N 2.98Å; T46-H54 PolarHBondContact O-CE1 3.41Å; T46-L57 HydrophobicContact CG2-CD2 4.27Å; T46-G83 PolarHBondContact N-O 3.36Å; T46-G83 WeakPolarHBondContact OG1-CA 3.11Å; T46-G83 PolarHBondContact OG1-O 3.27Å; T46-F84 PolarHBondContact OG1-N 3.41Å; T46-H85 HydrophobicContact CG2-CB 3.8Å
47K84.3Confident87.4Confident145 Ų14555.2 Ų55.263%0.6327%0.274SS*.G310 helixtrans-65.4-22.8176.1-66174.7173.8173.20113.1N45N45-K47 VanDerWaalsContact C-N 3.28Å; N45-K47 PolarHBondContact O-N 3.19Å; N45-K47 WeakPolarHBondContact OD1-CB 3.1Å; N45-K47 PolarHBondContact OD1-N 2.84Å; N45-K47 VanDerWaalsContact OD1-N 3.09Å
48K77.1Confident87.1Confident53 Ų5356.1 Ų56.123%0.2328%0.278CS..G310 helixtrans-93.1-2.7179.2-61.5-173.5-174.9-1730113.5F24 N45 T46 N312 V315F24-K48 HydrophobicContact CD1-CB 4.41Å; N45-K48 HydrophobicContact CB-CD 4.47Å; N45-K48 HydrophobicContact CB-CG 4.47Å; N45-K48 WeakPolarHBondContact ND2-CE 3.33Å; N45-K48 PolarHBondContact O-N 3.39Å; T46-K48 PolarHBondContact O-N 3.04Å; K48-N312 PolarHBondContact NZ-O 3.46Å; K48-V315 HydrophobicContact CD-CB 4.06Å; K48-V315 HydrophobicContact CD-CG1 4.25Å; K48-V315 WeakPolarHBondContact CE-O 3.42Å; K48-V315 HydrophobicContact CG-CB 4.35Å; K48-V315 HydrophobicContact CG-CG1 3.98Å; K48-V315 PolarHBondContact NZ-O 3.45Å
49L76.1Confident86.8Confident24 Ų2455.2 Ų55.213%0.12627%0.271CS..  trans-90.5136.6-175.6-61.9-175.5000111.2F24 I44 T46 D53 H54 L57F24-L49 HydrophobicContact CB-CD2 3.73Å; F24-L49 HydrophobicContact CD1-CD2 4.34Å; F24-L49 HydrophobicContact CD2-CD2 4.16Å; F24-L49 HydrophobicContact CG-CD2 3.84Å; I44-L49 HydrophobicContact CG2-CD1 3.82Å; I44-L49 HydrophobicContact CG2-CD2 4.48Å; I44-L49 HydrophobicContact CG2-CG 4.44Å; T46-L49 HydrophobicContact CG2-CD1 4.42Å; T46-L49 PolarHBondContact O-N 2.98Å; L49-D53 HydrophobicContact CB-CB 4.03Å; L49-D53 HydrophobicContact CD2-CB 3.95Å; L49-D53 HydrophobicContact CG-CB 4.41Å; L49-H54 WeakPolarHBondContact CB-ND1 3.32Å; L49-L57 HydrophobicContact CD1-CD2 4.09Å
50S79.4Confident86.4Confident57 Ų5754.6 Ų54.640%0.39927%0.269SS..  trans-66.5166.1165.273.20000110.9R52 D53 H54S50-R52 PolarHBondContact O-N 3.43Å; S50-R52 PolarHBondContact OG-N 3.5Å; S50-D53 PolarHBondContact O-N 3.22Å; S50-D53 VanDerWaalsContact O-N 3.07Å; S50-D53 VanDerWaalsContact OG-CG 3.24Å; S50-D53 PolarHBondContact OG-N 3.22Å; S50-D53 VanDerWaalsContact OG-N 3.17Å; S50-D53 PolarHBondContact OG-OD2 2.92Å; S50-H54 PolarHBondContact O-N 3.31Å; S50-H54 PolarHBondContact O-ND1 2.9Å
51A79.6Confident86.1Confident82 Ų8254.5 Ų54.568%0.67827%0.268SS*.Hα-helixtrans-57.3-34.8172.600000112.2Q55A51-Q55 PolarHBondContact O-N 2.76Å
52R78.8Confident86Confident134 Ų13460 Ų6051%0.50629%0.289SS..Hα-helixtrans-67.1-38.1175.8-174.4-178.7-179.9-170.81.1111.9S50 Q55 K56S50-R52 PolarHBondContact O-N 3.43Å; S50-R52 PolarHBondContact OG-N 3.5Å; R52-Q55 PolarHBondContact O-N 3.14Å; R52-K56 WeakPolarHBondContact O-CG 3.17Å; R52-K56 PolarHBondContact O-N 2.95Å
53D81.2Confident86.1Confident32 Ų3258.5 Ų58.517%0.17128%0.283CS..Hα-helixtrans-76.4-29.3-179.4-58.9-48.2000112.2L49 S50 K56 L57L49-D53 HydrophobicContact CB-CB 4.03Å; L49-D53 HydrophobicContact CD2-CB 3.95Å; L49-D53 HydrophobicContact CG-CB 4.41Å; S50-D53 PolarHBondContact O-N 3.22Å; S50-D53 VanDerWaalsContact O-N 3.07Å; S50-D53 VanDerWaalsContact OG-CG 3.24Å; S50-D53 PolarHBondContact OG-N 3.22Å; S50-D53 VanDerWaalsContact OG-N 3.17Å; S50-D53 PolarHBondContact OG-OD2 2.92Å; D53-K56 PolarHBondContact O-N 3.37Å; D53-K56 IonicContact OD1-NZ 3.18Å; D53-K56 PolarHBondContact OD1-NZ 2.82Å; D53-L57 PolarHBondContact O-N 2.79Å
54H83.6Confident86Confident69 Ų6957.9 Ų57.932%0.31928%0.28SS..Hα-helixtrans-58.6-46.4167.1-81.486.6000111.8T46 L49 S50 K56 L57 E58T46-H54 PolarHBondContact O-CE1 3.41Å; L49-H54 WeakPolarHBondContact CB-ND1 3.32Å; S50-H54 PolarHBondContact O-N 3.31Å; S50-H54 PolarHBondContact O-ND1 2.9Å; H54-K56 VanDerWaalsContact C-N 3.3Å; H54-K56 PolarHBondContact O-N 3Å; H54-L57 WeakPolarHBondContact O-CB 3.49Å; H54-L57 PolarHBondContact O-N 2.83Å; H54-L57 VanDerWaalsContact O-N 3.17Å; H54-E58 PolarHBondContact O-N 3.32Å
55Q85.3Confident86.2Confident134 Ų13463.6 Ų63.663%0.62630%0.301SS*.Hα-helixtrans-62.6-36.1176.9-70177.7-13.800112.8A51 R52 R59A51-Q55 PolarHBondContact O-N 2.76Å; R52-Q55 PolarHBondContact O-N 3.14Å; Q55-R59 WeakPolarHBondContact O-CB 3.31Å; Q55-R59 PolarHBondContact O-N 2.8Å; Q55-R59 VanDerWaalsContact O-N 3.12Å
56K85.2Confident86.5Confident66 Ų6665.6 Ų65.629%0.28731%0.311SS..Hα-helixtrans-65.2-42.9174.3-68.7176.1-168.4159.20111.4R52 D53 H54 R59 E60R52-K56 WeakPolarHBondContact O-CG 3.17Å; R52-K56 PolarHBondContact O-N 2.95Å; D53-K56 PolarHBondContact O-N 3.37Å; D53-K56 IonicContact OD1-NZ 3.18Å; D53-K56 PolarHBondContact OD1-NZ 2.82Å; H54-K56 VanDerWaalsContact C-N 3.3Å; H54-K56 PolarHBondContact O-N 3Å; K56-R59 PolarHBondContact O-N 2.87Å; K56-E60 WeakPolarHBondContact O-CB 3.46Å; K56-E60 PolarHBondContact O-N 2.71Å
57L86.4Confident87Confident12 Ų1264.5 Ų64.56%0.06330%0.304CS..Hα-helixtrans-61.2-46.9177.7172.758.6000111.7I44 T46 L49 D53 H54 R59 E60 A61 H85 L87I44-L57 HydrophobicContact CD1-CD1 3.52Å; I44-L57 HydrophobicContact CG1-CD1 4.49Å; I44-L57 HydrophobicContact CG2-CD2 4.2Å; T46-L57 HydrophobicContact CG2-CD2 4.27Å; L49-L57 HydrophobicContact CD1-CD2 4.09Å; D53-L57 PolarHBondContact O-N 2.79Å; H54-L57 WeakPolarHBondContact O-CB 3.49Å; H54-L57 PolarHBondContact O-N 2.83Å; H54-L57 VanDerWaalsContact O-N 3.17Å; L57-R59 VanDerWaalsContact C-N 3.29Å; L57-R59 PolarHBondContact O-N 3.45Å; L57-E60 PolarHBondContact O-N 3.27Å; L57-A61 WeakPolarHBondContact O-CB 3.31Å; L57-A61 PolarHBondContact O-N 3.16Å; L57-H85 HydrophobicContact CD2-CB 3.92Å; L57-L87 HydrophobicContact CD1-CD1 4.03Å
58E88.2Confident87.6Confident127 Ų12763.6 Ų63.659%0.59330%0.3SS*.Hα-helixtrans-60.3-39.9176.8-72.4179.2175.700112.1H54 R62H54-E58 PolarHBondContact O-N 3.32Å; E58-R62 WeakPolarHBondContact O-CB 3.26Å; E58-R62 PolarHBondContact O-N 3.4Å
59R91.1Very high88.6Confident65 Ų6563.1 Ų63.125%0.24530%0.299CS..Hα-helixtrans-64.9-46.7174.6-178.5174.968.1-154.6-2.9111.8Q55 K56 L57 A61 R62 I63 A160Q55-R59 WeakPolarHBondContact O-CB 3.31Å; Q55-R59 PolarHBondContact O-N 2.8Å; Q55-R59 VanDerWaalsContact O-N 3.12Å; K56-R59 PolarHBondContact O-N 2.87Å; L57-R59 VanDerWaalsContact C-N 3.29Å; L57-R59 PolarHBondContact O-N 3.45Å; R59-A61 PolarHBondContact O-N 2.86Å; R59-R62 PolarHBondContact O-N 3.19Å; R59-I63 HydrophobicContact CG-CD1 3.73Å; R59-I63 HydrophobicContact CG-CG1 4.34Å; R59-I63 WeakPolarHBondContact O-CB 3.4Å; R59-I63 WeakPolarHBondContact O-CG1 3.38Å; R59-I63 PolarHBondContact O-N 2.73Å; R59-A160 PolarHBondContact NE-O 3.33Å
60E90.7Very high89.6Confident19 Ų1966.2 Ų66.29%0.08932%0.321CS..Hα-helixtrans-57.7-49.7177.5-175.9-177167.600110.7K42 K56 L57 R62 I63 C64K42-E60 IonicContact NZ-OE1 2.84Å; K42-E60 PolarHBondContact NZ-OE1 3.24Å; K42-E60 IonicContact NZ-OE2 3.23Å; K56-E60 WeakPolarHBondContact O-CB 3.46Å; K56-E60 PolarHBondContact O-N 2.71Å; L57-E60 PolarHBondContact O-N 3.27Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 3Å; E60-I63 PolarHBondContact O-N 3.25Å; E60-C64 WeakPolarHBondContact O-CB 3.32Å; E60-C64 PolarHBondContact O-N 3.4Å; E60-C64 PolarHBondContact O-SG 2.81Å
61A90.2Very high90.5Very high8 Ų864 Ų647%0.06630%0.304CS..Hα-helixtrans-60.6-41.8178.900000112.4L57 R59 R65 L87L57-A61 WeakPolarHBondContact O-CB 3.31Å; L57-A61 PolarHBondContact O-N 3.16Å; R59-A61 PolarHBondContact O-N 2.86Å; A61-R65 WeakPolarHBondContact O-CB 3.48Å; A61-R65 PolarHBondContact O-N 3.28Å; A61-L87 HydrophobicContact CB-CD2 3.82Å
62R93.6Very high91.4Very high117 Ų11760.2 Ų60.244%0.44227%0.272SS..Hα-helixtrans-63.3-49.7176.4179.7177.261.8-104.55.1111.8E58 R59 E60 R65 L66 E162E58-R62 WeakPolarHBondContact O-CB 3.26Å; E58-R62 PolarHBondContact O-N 3.4Å; R59-R62 PolarHBondContact O-N 3.19Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 3Å; R62-R65 PolarHBondContact O-N 2.9Å; R62-L66 PolarHBondContact O-N 2.82Å; R62-L66 VanDerWaalsContact O-N 3.14Å; R62-E162 IonicContact CZ-OE2 2.73Å; R62-E162 IonicContact NE-OE1 3.86Å; R62-E162 PolarHBondContact NE-OE1 2.87Å; R62-E162 VanDerWaalsContact NE-OE1 3.11Å; R62-E162 IonicContact NE-OE2 3.57Å; R62-E162 PolarHBondContact NE-OE2 2.96Å; R62-E162 IonicContact NH2-OE2 2.91Å; R62-E162 PolarHBondContact NH2-OE2 3.18Å
63I95.6Very high92.3Very high0 Ų054.5 Ų54.50%025%0.253CS..Hα-helixtrans-59.6-50.1178.6-73.5173.9000110.2R59 E60 R65 L66 L67 V131 F157 A160 E162R59-I63 HydrophobicContact CG-CD1 3.73Å; R59-I63 HydrophobicContact CG-CG1 4.34Å; R59-I63 WeakPolarHBondContact O-CB 3.4Å; R59-I63 WeakPolarHBondContact O-CG1 3.38Å; R59-I63 PolarHBondContact O-N 2.73Å; E60-I63 PolarHBondContact O-N 3.25Å; I63-R65 PolarHBondContact O-N 2.8Å; I63-L66 WeakPolarHBondContact O-CB 3.1Å; I63-L66 PolarHBondContact O-N 2.73Å; I63-L67 HydrophobicContact CG2-CD1 3.7Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 WeakPolarHBondContact O-CG 3.3Å; I63-L67 PolarHBondContact O-N 2.87Å; I63-L67 VanDerWaalsContact O-N 3.07Å; I63-V131 HydrophobicContact CD1-CG1 4.41Å; I63-V131 HydrophobicContact CG1-CG2 4.38Å; I63-V131 HydrophobicContact CG2-CG1 3.74Å; I63-V131 HydrophobicContact CG2-CG2 4.12Å; I63-F157 HydrophobicContact CG2-CB 4.27Å; I63-F157 HydrophobicContact CG2-CD1 3.93Å; I63-F157 HydrophobicContact CG2-CG 4.3Å; I63-A160 HydrophobicContact CD1-CB 3.77Å; I63-A160 HydrophobicContact CG2-CB 4.32Å; I63-E162 HydrophobicContact CD1-CG 4.22Å; I63-E162 HydrophobicContact CG1-CG 3.99Å
64C93.8Very high92.9Very high5 Ų557.8 Ų57.83%0.03426%0.263CS..Hα-helixtrans-62.8-29.7-179.2-70.30000113E60 L75 F89E60-C64 WeakPolarHBondContact O-CB 3.32Å; E60-C64 PolarHBondContact O-N 3.4Å; E60-C64 PolarHBondContact O-SG 2.81Å; C64-L75 HydrophobicContact CB-CB 3.77Å; C64-L75 HydrophobicContact CB-CD2 3.88Å; C64-L75 HydrophobicContact CB-CG 4.37Å; C64-F89 HydrophobicContact CB-CE1 4.07Å; C64-F89 HydrophobicContact CB-CZ 4.46Å
65R93.7Very high93.5Very high130 Ų13055 Ų5549%0.49125%0.25SS..Hα-helixtrans-73.3-30.7174.1-177166.4-87.9149.9-8.5112.9A61 R62 I63 L75A61-R65 WeakPolarHBondContact O-CB 3.48Å; A61-R65 PolarHBondContact O-N 3.28Å; R62-R65 PolarHBondContact O-N 2.9Å; I63-R65 PolarHBondContact O-N 2.8Å; R65-L75 HydrophobicContact CB-CD2 4.27Å
66L95.1Very high93.9Very high75 Ų7552.2 Ų52.239%0.39324%0.237SC..Hα-helixtrans-72-40.7176.2179.463.7000111.8R62 I63 K68 M129 V131R62-L66 PolarHBondContact O-N 2.82Å; R62-L66 VanDerWaalsContact O-N 3.14Å; I63-L66 WeakPolarHBondContact O-CB 3.1Å; I63-L66 PolarHBondContact O-N 2.73Å; L66-K68 PolarHBondContact O-N 2.9Å; L66-M129 HydrophobicContact CD1-SD 4.38Å; L66-M129 HydrophobicContact CD2-CB 4Å; L66-M129 HydrophobicContact CG-CB 4.23Å; L66-M129 HydrophobicContact CG-CG 4.48Å; L66-V131 HydrophobicContact CD2-CG2 4.25Å
67L97.1Very high94.3Very high1 Ų150.7 Ų50.71%0.00523%0.232CC..  trans-80.7111.8-172.8-60.8176.7000112.2I63 I72 C126 M129 V131 F157I63-L67 HydrophobicContact CG2-CD1 3.7Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 WeakPolarHBondContact O-CG 3.3Å; I63-L67 PolarHBondContact O-N 2.87Å; I63-L67 VanDerWaalsContact O-N 3.07Å; L67-I72 HydrophobicContact CB-CD1 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.39Å; L67-I72 HydrophobicContact CD1-CD1 4.47Å; L67-C126 HydrophobicContact CD2-CB 4.49Å; L67-M129 HydrophobicContact CD2-CB 3.92Å; L67-M129 HydrophobicContact CD2-CG 4.07Å; L67-V131 HydrophobicContact CD1-CG1 4.33Å; L67-V131 HydrophobicContact CD2-CB 4.45Å; L67-V131 HydrophobicContact CD2-CG2 4.25Å; L67-F157 HydrophobicContact CD1-CD1 3.68Å; L67-F157 HydrophobicContact CD1-CE1 3.18Å; L67-F157 HydrophobicContact CD1-CE2 4.34Å; L67-F157 HydrophobicContact CD1-CG 4.43Å; L67-F157 HydrophobicContact CD1-CZ 3.58Å
68K96.9Very high94.5Very high126 Ų12651.3 Ų51.355%0.54824%0.237SC..  trans-127.897.3176.9-63.8175.2-174.4171.50109.6L66 H125L66-K68 PolarHBondContact O-N 2.9Å; K68-H125 PolarHBondContact N-NE2 2.85Å; K68-H125 PolarHBondContact O-CE1 3.4Å
69H98.3Very high94.7Very high42 Ų4245.7 Ų45.719%0.19421%0.211CC..  trans-146.8143.8-178.1-170.8-93.1000110.1N71 I72 H125H69-N71 PolarHBondContact CE1-OD1 2.93Å; H69-N71 VanDerWaalsContact CE1-OD1 3.24Å; H69-N71 PolarHBondContact ND1-N 3.36Å; H69-N71 VanDerWaalsContact ND1-N 3.12Å; H69-N71 PolarHBondContact O-N 3.22Å; H69-I72 HydrophobicContact CB-CB 4.17Å; H69-I72 HydrophobicContact CB-CD1 3.77Å; H69-I72 HydrophobicContact CB-CG1 3.91Å; H69-I72 PolarHBondContact O-N 3.19Å; H69-H125 HydrophobicContact CB-CB 4.22Å; H69-H125 AromaticContact CD2-CG 3.79Å; H69-H125 AromaticContact CD2-ND1 3.92Å; H69-H125 AromaticContact CG-CG 3.99Å
70P97.6Very high94.7Very high90 Ų9046.7 Ų46.758%0.58423%0.228SC*.THydrogen-bonded Turntrans-55.5-36.5179.519.9-33.4000113.5I72 K153P70-I72 VanDerWaalsContact C-N 3.35Å; P70-K153 WeakPolarHBondContact O-CE 3.37Å; P70-K153 PolarHBondContact O-NZ 3.23Å
71N98.5Very high94.7Very high10 Ų1048.3 Ų48.35%0.05324%0.236CC..THydrogen-bonded Turntrans-91.618179.2-54.694.9000114.4H69 Q118 A122 V152 K153 L154H69-N71 PolarHBondContact CE1-OD1 2.93Å; H69-N71 VanDerWaalsContact CE1-OD1 3.24Å; H69-N71 PolarHBondContact ND1-N 3.36Å; H69-N71 VanDerWaalsContact ND1-N 3.12Å; H69-N71 PolarHBondContact O-N 3.22Å; N71-Q118 PolarHBondContact ND2-OE1 2.91Å; N71-Q118 VanDerWaalsContact ND2-OE1 3.08Å; N71-A122 HydrophobicContact CB-CB 3.98Å; N71-A122 WeakPolarHBondContact O-CB 3.14Å; N71-V152 WeakPolarHBondContact CA-O 3.5Å; N71-V152 VanDerWaalsContact CB-O 3.27Å; N71-V152 WeakPolarHBondContact CB-O 3.35Å; N71-V152 PolarHBondContact ND2-O 2.93Å; N71-K153 CarbonylContact O-C 3.57Å; N71-K153 WeakPolarHBondContact O-CA 3.49Å; N71-L154 PolarHBondContact O-N 2.87Å
72I98.4Very high94.5Very high2 Ų256 Ų561%0.0127%0.27CS..BIsolated β-bridgetrans-120.9140.9171-63.4175.8000108.2L67 H69 P70 R74 A122 K153 L154 F157L67-I72 HydrophobicContact CB-CD1 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.39Å; L67-I72 HydrophobicContact CD1-CD1 4.47Å; H69-I72 HydrophobicContact CB-CB 4.17Å; H69-I72 HydrophobicContact CB-CD1 3.77Å; H69-I72 HydrophobicContact CB-CG1 3.91Å; H69-I72 PolarHBondContact O-N 3.19Å; P70-I72 VanDerWaalsContact C-N 3.35Å; I72-R74 PolarHBondContact O-N 2.89Å; I72-R74 VanDerWaalsContact O-N 3.16Å; I72-A122 HydrophobicContact CD1-CB 4.41Å; I72-A122 HydrophobicContact CG1-CB 3.82Å; I72-K153 PolarHBondContact O-NZ 2.97Å; I72-L154 HydrophobicContact CG1-CB 4.46Å; I72-F157 HydrophobicContact CD1-CZ 4.49Å; I72-F157 HydrophobicContact CG2-CE2 3.74Å; I72-F157 HydrophobicContact CG2-CZ 3.79Å
73V96.9Very high94.2Very high15 Ų1550.8 Ų50.89%0.09125%0.253CS..  trans-68.6108.3170.9178.10000108.5F89 D90 V92 K153 L154 A155V73-F89 HydrophobicContact CG1-CB 3.81Å; V73-F89 HydrophobicContact CG1-CD1 3.96Å; V73-F89 HydrophobicContact CG1-CG 4.21Å; V73-D90 HydrophobicContact CG1-CB 4.18Å; V73-V92 HydrophobicContact CG2-CG1 4.14Å; V73-K153 HydrophobicContact CG2-CB 3.87Å; V73-K153 HydrophobicContact CG2-CD 4.46Å; V73-L154 PolarHBondContact N-O 3.25Å; V73-A155 HydrophobicContact CB-CB 4.47Å; V73-A155 HydrophobicContact CG2-CB 3.84Å
74R95.5Very high94Very high101 Ų10154.5 Ų54.538%0.38127%0.269SS..  trans-77.4137.9-172.6177.6175174.3157.9-5.4111.8I72 F89 D90I72-R74 PolarHBondContact O-N 2.89Å; I72-R74 VanDerWaalsContact O-N 3.16Å; R74-F89 CarbonylContact O-C 3.59Å; R74-F89 WeakPolarHBondContact O-CA 3.43Å; R74-D90 PolarHBondContact N-OD2 2.89Å; R74-D90 PolarHBondContact O-N 3.43Å
75L95.7Very high93.9Very high11 Ų1155.4 Ų55.46%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-83.1122.6164.1-174.175.2000110.1C64 R65 D77 L87 F89C64-L75 HydrophobicContact CB-CB 3.77Å; C64-L75 HydrophobicContact CB-CD2 3.88Å; C64-L75 HydrophobicContact CB-CG 4.37Å; R65-L75 HydrophobicContact CB-CD2 4.27Å; L75-D77 VanDerWaalsContact CD1-O 3.27Å; L75-D77 WeakPolarHBondContact CD1-O 3.42Å; L75-L87 HydrophobicContact CD1-CB 3.71Å; L75-L87 HydrophobicContact CD1-CD2 4.15Å; L75-L87 HydrophobicContact CD1-CG 4.46Å; L75-L87 HydrophobicContact CD2-CD2 4.43Å; L75-F89 HydrophobicContact CB-CD1 4.09Å; L75-F89 HydrophobicContact CB-CE1 3.89Å; L75-F89 HydrophobicContact CD1-CD1 4.03Å; L75-F89 HydrophobicContact CD1-CD2 4.24Å; L75-F89 HydrophobicContact CD1-CE1 3.74Å; L75-F89 HydrophobicContact CD1-CE2 3.98Å; L75-F89 HydrophobicContact CD1-CG 4.28Å; L75-F89 HydrophobicContact CD1-CZ 3.72Å; L75-F89 HydrophobicContact CG-CE1 4.42Å
76H93.9Very high93.9Very high75 Ų7550.2 Ų50.235%0.34725%0.253SS..EExtended strand (participates in β ladder)trans-91.5-41.2175.8-69.8-89.4000111.7Y39 I88 D90Y39-H76 AromaticContact CD1-CD2 3.8Å; Y39-H76 HydrophobicContact CE1-CB 4.19Å; Y39-H76 AromaticContact CE1-CD2 3.63Å; Y39-H76 AromaticContact CE1-CE1 3.99Å; Y39-H76 AromaticContact CE1-CG 3.63Å; Y39-H76 AromaticContact CE1-ND1 3.9Å; Y39-H76 AromaticContact CE1-NE2 3.85Å; H76-I88 PolarHBondContact N-O 2.9Å; H76-D90 IonicContact CD2-OD1 2.76Å; H76-D90 IonicContact CE1-OD1 3.04Å; H76-D90 IonicContact NE2-OD1 3.44Å; H76-D90 PolarHBondContact NE2-OD1 3.24Å
77D92.1Very high93.8Very high34 Ų3446.6 Ų46.618%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-149.7157.9-172-151.4-6.8000112.5Y13 L75 I88Y13-D77 PolarHBondContact OH-OD2 2.89Å; L75-D77 VanDerWaalsContact CD1-O 3.27Å; L75-D77 WeakPolarHBondContact CD1-O 3.42Å; D77-I88 HydrophobicContact CB-CB 3.89Å; D77-I88 HydrophobicContact CB-CG1 3.82Å; D77-I88 PolarHBondContact N-O 2.73Å; D77-I88 PolarHBondContact O-N 2.94Å
78S92.4Very high93.8Very high25 Ų2546.6 Ų46.618%0.17523%0.234CC..EExtended strand (participates in β ladder)trans-143.9108.5178.41660000109.1H85 Y86S78-H85 PolarHBondContact OG-NE2 3.06Å; S78-Y86 CarbonylContact C-O 3.59Å; S78-Y86 WeakPolarHBondContact CA-O 3.31Å
79I92.3Very high93.8Very high9 Ų941.8 Ų41.85%0.04621%0.213CC..EExtended strand (participates in β ladder)trans-114.3126.2-174.6-55.9172.1000108.5T7 F9 Y13 E81 Y86T7-I79 WeakPolarHBondContact O-CG2 3.34Å; F9-I79 HydrophobicContact CB-CD1 4.39Å; F9-I79 HydrophobicContact CB-CG2 4.44Å; F9-I79 HydrophobicContact CD2-CD1 4.36Å; Y13-I79 HydrophobicContact CD2-CD1 4.14Å; Y13-I79 HydrophobicContact CE2-CD1 3.86Å; I79-E81 HydrophobicContact CG2-CG 4.26Å; I79-Y86 HydrophobicContact CB-CD2 4.42Å; I79-Y86 PolarHBondContact N-O 3.27Å; I79-Y86 PolarHBondContact O-N 3.32Å
80S90.1Very high93.6Very high85 Ų8541.4 Ų41.459%0.59421%0.213SC*.EExtended strand (participates in β ladder)trans-108125176-58.30000109.6H85S80-H85 PolarHBondContact OG-CE1 3.05Å; S80-H85 PolarHBondContact OG-ND1 3.14Å
81E90.5Very high93.6Very high54 Ų5438.8 Ų38.825%0.25219%0.193SC..EExtended strand (participates in β ladder)trans-122.3174175.9-64-173.415500110.5R8 F9 I79 G83 F84 Y86R8-E81 WeakPolarHBondContact CA-OE1 3.45Å; R8-E81 VanDerWaalsContact CB-OE1 3.3Å; R8-E81 WeakPolarHBondContact CB-OE1 3.2Å; F9-E81 PolarHBondContact N-OE1 3.39Å; I79-E81 HydrophobicContact CG2-CG 4.26Å; E81-G83 PolarHBondContact O-N 3.03Å; E81-F84 CarbonylContact C-O 3.47Å; E81-F84 PolarHBondContact N-O 2.89Å; E81-F84 PolarHBondContact O-N 2.86Å; E81-Y86 HydrophobicContact CB-CE2 4.11Å; E81-Y86 HydrophobicContact CG-CD2 4.4Å; E81-Y86 HydrophobicContact CG-CE2 3.8Å; E81-Y86 WeakPolarHBondContact OE2-CE2 3.3Å; E81-Y86 PolarHBondContact OE2-OH 3.37Å
82E86.9Confident93.4Very high170 Ų17039.9 Ų39.979%0.79420%0.2SC*.THydrogen-bonded Turntrans-63.4107.2176.7-165.2-168.1149.300111.3F84E82-F84 VanDerWaalsContact C-N 3.31Å; E82-F84 PolarHBondContact O-N 3.46Å
83G86.2Confident93.2Very high7 Ų743.3 Ų43.37%0.07222%0.222CC..THydrogen-bonded Turntrans82.1-0.8177.400000116.1N45 T46 E81N45-G83 PolarHBondContact OD1-O 3.16Å; T46-G83 PolarHBondContact N-O 3.36Å; T46-G83 WeakPolarHBondContact OG1-CA 3.11Å; T46-G83 PolarHBondContact OG1-O 3.27Å; E81-G83 PolarHBondContact O-N 3.03Å
84F91.2Very high92.9Very high78 Ų7843.2 Ų43.234%0.34222%0.224SC..EExtended strand (participates in β ladder)trans-138.8147.5176.9-65.5-80.8000112.4I43 I44 N45 T46 E81 E82 Y86I43-F84 HydrophobicContact CG2-CD1 4.01Å; I44-F84 CarbonylContact O-C 3.55Å; I44-F84 VanDerWaalsContact O-CA 3.25Å; I44-F84 WeakPolarHBondContact O-CA 3.44Å; N45-F84 HydrophobicContact CB-CD1 4.27Å; N45-F84 HydrophobicContact CB-CE1 4.01Å; T46-F84 PolarHBondContact OG1-N 3.41Å; E81-F84 CarbonylContact C-O 3.47Å; E81-F84 PolarHBondContact N-O 2.89Å; E81-F84 PolarHBondContact O-N 2.86Å; E82-F84 VanDerWaalsContact C-N 3.31Å; E82-F84 PolarHBondContact O-N 3.46Å; F84-Y86 HydrophobicContact CB-CE2 3.85Å
85H91.9Very high92.8Very high23 Ų2340.3 Ų40.311%0.10623%0.226CC..EExtended strand (participates in β ladder)trans-127.5131.2171-161.2125.7000109I44 T46 L57 S78 S80I44-H85 HydrophobicContact CB-CB 4.46Å; I44-H85 PolarHBondContact N-O 3.24Å; I44-H85 PolarHBondContact O-N 3.46Å; T46-H85 HydrophobicContact CG2-CB 3.8Å; L57-H85 HydrophobicContact CD2-CB 3.92Å; S78-H85 PolarHBondContact OG-NE2 3.06Å; S80-H85 PolarHBondContact OG-CE1 3.05Å; S80-H85 PolarHBondContact OG-ND1 3.14Å
86Y94.2Very high92.6Very high21 Ų2142 Ų428%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-112121.5-178.1-52.2-100.9000109.3F9 K42 I43 S78 I79 E81 F84F9-Y86 HydrophobicContact CB-CD1 4.15Å; F9-Y86 HydrophobicContact CB-CD2 3.92Å; F9-Y86 HydrophobicContact CB-CE1 4.1Å; F9-Y86 HydrophobicContact CB-CE2 3.89Å; F9-Y86 HydrophobicContact CB-CG 4.06Å; F9-Y86 HydrophobicContact CD1-CD1 4.26Å; F9-Y86 HydrophobicContact CD1-CE1 4.03Å; F9-Y86 AromaticContact CD2-CD1 3.45Å; F9-Y86 HydrophobicContact CD2-CD1 3.45Å; F9-Y86 VanDerWaalsContact CD2-CD1 3.45Å; F9-Y86 HydrophobicContact CD2-CD2 4.34Å; F9-Y86 HydrophobicContact CD2-CE1 4.05Å; F9-Y86 AromaticContact CD2-CG 3.62Å; F9-Y86 HydrophobicContact CD2-CG 3.62Å; F9-Y86 AromaticContact CE2-CD1 3.9Å; F9-Y86 HydrophobicContact CE2-CD1 3.9Å; F9-Y86 HydrophobicContact CE2-CG 4.38Å; F9-Y86 AromaticContact CG-CD1 3.65Å; F9-Y86 HydrophobicContact CG-CD1 3.65Å; F9-Y86 HydrophobicContact CG-CD2 4.3Å; F9-Y86 AromaticContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE1 3.76Å; F9-Y86 HydrophobicContact CG-CE2 4.41Å; F9-Y86 AromaticContact CG-CG 3.94Å; F9-Y86 HydrophobicContact CG-CG 3.94Å; K42-Y86 WeakPolarHBondContact O-CA 3.39Å; I43-Y86 HydrophobicContact CB-CD1 4.36Å; I43-Y86 HydrophobicContact CB-CE1 4.49Å; I43-Y86 HydrophobicContact CD1-CE1 4.4Å; I43-Y86 HydrophobicContact CG1-CD1 3.92Å; I43-Y86 HydrophobicContact CG1-CE1 4.17Å; I43-Y86 HydrophobicContact CG2-CD1 3.99Å; I43-Y86 HydrophobicContact CG2-CE1 3.73Å; S78-Y86 CarbonylContact C-O 3.59Å; S78-Y86 WeakPolarHBondContact CA-O 3.31Å; I79-Y86 HydrophobicContact CB-CD2 4.42Å; I79-Y86 PolarHBondContact N-O 3.27Å; I79-Y86 PolarHBondContact O-N 3.32Å; E81-Y86 HydrophobicContact CB-CE2 4.11Å; E81-Y86 HydrophobicContact CG-CD2 4.4Å; E81-Y86 HydrophobicContact CG-CE2 3.8Å; E81-Y86 WeakPolarHBondContact OE2-CE2 3.3Å; E81-Y86 PolarHBondContact OE2-OH 3.37Å; F84-Y86 HydrophobicContact CB-CE2 3.85Å
87L94.1Very high92.6Very high0 Ų038.4 Ų38.40%022%0.216CC..EExtended strand (participates in β ladder)trans-107.6118.6170.5-62.1179.3000108.4K42 I44 L57 A61 L75 F89K42-L87 HydrophobicContact CB-CB 4.31Å; K42-L87 PolarHBondContact N-O 3.14Å; K42-L87 PolarHBondContact O-N 3.01Å; I44-L87 HydrophobicContact CD1-CD1 3.95Å; I44-L87 HydrophobicContact CD1-CG 4.11Å; L57-L87 HydrophobicContact CD1-CD1 4.03Å; A61-L87 HydrophobicContact CB-CD2 3.82Å; L75-L87 HydrophobicContact CD1-CB 3.71Å; L75-L87 HydrophobicContact CD1-CD2 4.15Å; L75-L87 HydrophobicContact CD1-CG 4.46Å; L75-L87 HydrophobicContact CD2-CD2 4.43Å; L87-F89 HydrophobicContact CB-CD2 4.13Å; L87-F89 HydrophobicContact CB-CE2 3.42Å; L87-F89 VanDerWaalsContact CB-CE2 3.42Å; L87-F89 HydrophobicContact CB-CZ 4.04Å; L87-F89 HydrophobicContact CD1-CE2 4.24Å; L87-F89 HydrophobicContact CD1-CZ 4.28Å; L87-F89 HydrophobicContact CG-CE2 4.48Å; L87-F89 WeakPolarHBondContact O-CD2 3.37Å
88I96.2Very high92.6Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-99.8109.9-173-48.4-53.7000109.3F9 Y13 Y39 A41 H76 D77F9-I88 HydrophobicContact CD2-CD1 4.02Å; F9-I88 HydrophobicContact CE2-CD1 3.6Å; Y13-I88 HydrophobicContact CE1-CG2 3.96Å; Y13-I88 HydrophobicContact CE2-CG1 4.45Å; Y39-I88 HydrophobicContact CD1-CG2 3.96Å; Y39-I88 HydrophobicContact CD2-CG2 4.32Å; Y39-I88 HydrophobicContact CG-CG2 3.7Å; A41-I88 HydrophobicContact CB-CD1 3.81Å; H76-I88 PolarHBondContact N-O 2.9Å; D77-I88 HydrophobicContact CB-CB 3.89Å; D77-I88 HydrophobicContact CB-CG1 3.82Å; D77-I88 PolarHBondContact N-O 2.73Å; D77-I88 PolarHBondContact O-N 2.94Å
89F96.5Very high92.4Very high25 Ų2538.6 Ų38.611%0.1121%0.213CC..EExtended strand (participates in β ladder)trans-108.2163.5-175.5-69.6-82.2000112.7Y39 A40 K42 C64 V73 R74 L75 L87 L91Y39-F89 WeakPolarHBondContact CB-O 3.46Å; A40-F89 PolarHBondContact N-O 3.31Å; A40-F89 PolarHBondContact O-N 3.19Å; K42-F89 HydrophobicContact CB-CD2 4.29Å; K42-F89 HydrophobicContact CB-CE2 4.06Å; K42-F89 HydrophobicContact CD-CE2 4.31Å; C64-F89 HydrophobicContact CB-CE1 4.07Å; C64-F89 HydrophobicContact CB-CZ 4.46Å; V73-F89 HydrophobicContact CG1-CB 3.81Å; V73-F89 HydrophobicContact CG1-CD1 3.96Å; V73-F89 HydrophobicContact CG1-CG 4.21Å; R74-F89 CarbonylContact O-C 3.59Å; R74-F89 WeakPolarHBondContact O-CA 3.43Å; L75-F89 HydrophobicContact CB-CD1 4.09Å; L75-F89 HydrophobicContact CB-CE1 3.89Å; L75-F89 HydrophobicContact CD1-CD1 4.03Å; L75-F89 HydrophobicContact CD1-CD2 4.24Å; L75-F89 HydrophobicContact CD1-CE1 3.74Å; L75-F89 HydrophobicContact CD1-CE2 3.98Å; L75-F89 HydrophobicContact CD1-CG 4.28Å; L75-F89 HydrophobicContact CD1-CZ 3.72Å; L75-F89 HydrophobicContact CG-CE1 4.42Å; L87-F89 HydrophobicContact CB-CD2 4.13Å; L87-F89 HydrophobicContact CB-CE2 3.42Å; L87-F89 VanDerWaalsContact CB-CE2 3.42Å; L87-F89 HydrophobicContact CB-CZ 4.04Å; L87-F89 HydrophobicContact CD1-CE2 4.24Å; L87-F89 HydrophobicContact CD1-CZ 4.28Å; L87-F89 HydrophobicContact CG-CE2 4.48Å; L87-F89 WeakPolarHBondContact O-CD2 3.37Å; F89-L91 PolarHBondContact O-N 2.93Å
90D95.4Very high92.4Very high35 Ų3540.4 Ų40.419%0.18722%0.223CC..EExtended strand (participates in β ladder)trans-46130.8161.4-74.3-19000109.9V73 R74 H76 V92 K153V73-D90 HydrophobicContact CG1-CB 4.18Å; R74-D90 PolarHBondContact N-OD2 2.89Å; R74-D90 PolarHBondContact O-N 3.43Å; H76-D90 IonicContact CD2-OD1 2.76Å; H76-D90 IonicContact CE1-OD1 3.04Å; H76-D90 IonicContact NE2-OD1 3.44Å; H76-D90 PolarHBondContact NE2-OD1 3.24Å; D90-V92 PolarHBondContact O-N 3.34Å; D90-K153 IonicContact OD2-NZ 2.73Å; D90-K153 PolarHBondContact OD2-NZ 3.33Å
91L95.7Very high92.4Very high34 Ų3436.3 Ų36.318%0.17820%0.195CC..  trans-76.2117.9166.8-177.862.5000109.1L19 R29 E38 A40 F89 T93L19-L91 HydrophobicContact CD1-CD1 3.52Å; R29-L91 HydrophobicContact CG-CD1 4.38Å; R29-L91 HydrophobicContact CG-CD2 3.96Å; E38-L91 HydrophobicContact CB-CD2 3.76Å; A40-L91 HydrophobicContact CB-CD1 4.18Å; F89-L91 PolarHBondContact O-N 2.93Å; L91-T93 HydrophobicContact CD2-CG2 4.22Å; L91-T93 HydrophobicContact CG-CG2 3.98Å
92V94.4Very high92.2Very high33 Ų3335.4 Ų35.420%0.219%0.193CC..  trans-108.3128.2173.7-64.70000109.8V73 D90 L142 K153V73-V92 HydrophobicContact CG2-CG1 4.14Å; D90-V92 PolarHBondContact O-N 3.34Å; V92-L142 HydrophobicContact CG2-CB 4.12Å; V92-L142 HydrophobicContact CG2-CD1 3.6Å; V92-K153 HydrophobicContact CG1-CD 3.56Å
93T94.1Very high92.3Very high74 Ų7431.3 Ų31.345%0.45419%0.188SC..  trans-119-1.6-170.257.30000114.1L91 G95 A144L91-T93 HydrophobicContact CD2-CG2 4.22Å; L91-T93 HydrophobicContact CG-CG2 3.98Å; T93-G95 VanDerWaalsContact C-N 3.32Å; T93-A144 PolarHBondContact N-O 3.39Å; T93-A144 VanDerWaalsContact N-O 3.11Å
94G92.3Very high92.3Very high13 Ų1334 Ų3413%0.13420%0.196CC..SBendtrans-79.2-12.4-179.900000114.6L143 S145G94-L143 VanDerWaalsContact CA-O 3.29Å; G94-L143 WeakPolarHBondContact CA-O 3.29Å; G94-L143 PolarHBondContact N-O 3.43Å; G94-S145 VanDerWaalsContact CA-O 3.25Å; G94-S145 WeakPolarHBondContact CA-O 3.46Å
95G91.8Very high92Very high41 Ų4139.3 Ų39.342%0.42322%0.222SC..EExtended strand (participates in β ladder)trans76.7-161.4-17600000112.7T93 L142 L143T93-G95 VanDerWaalsContact C-N 3.32Å; G95-L142 CarbonylContact O-C 3.53Å; G95-L142 VanDerWaalsContact O-CA 3.29Å; G95-L142 WeakPolarHBondContact O-CA 3.23Å; G95-L143 PolarHBondContact O-N 3.11Å
96E92.6Very high91.9Very high45 Ų4543 Ų4321%0.2124%0.235CC..EExtended strand (participates in β ladder)trans-78.1134.9-179.7-63.4175.5-117.800111F98 E99 D100 L142 R297E96-F98 PolarHBondContact O-N 2.88Å; E96-E99 HydrophobicContact CB-CG 3.97Å; E96-E99 WeakPolarHBondContact O-CB 3.31Å; E96-E99 PolarHBondContact O-N 3.25Å; E96-D100 PolarHBondContact O-N 3.18Å; E96-L142 HydrophobicContact CG-CD2 4.03Å; E96-R297 IonicContact OE2-CZ 2.7Å; E96-R297 VanDerWaalsContact OE2-CZ 3.27Å; E96-R297 IonicContact OE2-NH1 3.03Å; E96-R297 PolarHBondContact OE2-NH1 3.43Å; E96-R297 IonicContact OE2-NH2 3.66Å; E96-R297 PolarHBondContact OE2-NH2 3.4Å
97L94.1Very high92Very high0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-51.5-43.5-179.9169.662.8000112.5E99 D100 I101 C115 I119 L141 L143 V152L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 3.14Å; L97-D100 PolarHBondContact O-N 2.67Å; L97-I101 HydrophobicContact CD1-CD1 4.06Å; L97-I101 HydrophobicContact CD1-CG1 4.25Å; L97-I101 HydrophobicContact CG-CD1 4Å; L97-I101 WeakPolarHBondContact O-CG1 3.5Å; L97-I101 PolarHBondContact O-N 3.26Å; L97-C115 HydrophobicContact CD2-CB 4.16Å; L97-I119 HydrophobicContact CD2-CD1 4.44Å; L97-L141 HydrophobicContact CB-CB 4.23Å; L97-L141 WeakPolarHBondContact CB-O 3.35Å; L97-L141 HydrophobicContact CD2-CB 4.42Å; L97-L141 PolarHBondContact N-O 3.04Å; L97-L143 HydrophobicContact CD1-CD2 4.02Å; L97-L143 HydrophobicContact CD1-CG 4.47Å; L97-V152 HydrophobicContact CD1-CG2 4.12Å; L97-V152 HydrophobicContact CD2-CG1 4.24Å; L97-V152 HydrophobicContact CD2-CG2 4.19Å
98F91.9Very high92.1Very high0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-67.3-27.3-177.2-78.5-93.8000113.2E96 V102 P138 L141 I202 I205 L206 L290 N294E96-F98 PolarHBondContact O-N 2.88Å; F98-V102 WeakPolarHBondContact O-CG2 3.48Å; F98-V102 PolarHBondContact O-N 2.78Å; F98-P138 HydrophobicContact CD2-CB 3.43Å; F98-P138 VanDerWaalsContact CD2-CB 3.43Å; F98-P138 HydrophobicContact CD2-CG 3.95Å; F98-P138 HydrophobicContact CE1-CG 4.4Å; F98-P138 HydrophobicContact CE2-CB 3.61Å; F98-P138 HydrophobicContact CE2-CG 3.64Å; F98-P138 HydrophobicContact CG-CB 3.98Å; F98-P138 HydrophobicContact CG-CG 4.44Å; F98-P138 HydrophobicContact CZ-CB 4.29Å; F98-P138 HydrophobicContact CZ-CG 3.87Å; F98-L141 HydrophobicContact CE2-CD1 4.07Å; F98-I202 HydrophobicContact CE2-CG2 4.49Å; F98-I202 HydrophobicContact CZ-CG2 4.21Å; F98-I205 HydrophobicContact CD1-CG2 4.41Å; F98-I205 HydrophobicContact CE1-CB 4.2Å; F98-I205 HydrophobicContact CE1-CG2 3.61Å; F98-I205 HydrophobicContact CZ-CG2 4.38Å; F98-L206 HydrophobicContact CE1-CD2 3.94Å; F98-L206 HydrophobicContact CE1-CG 4.38Å; F98-L206 HydrophobicContact CE2-CD2 4.39Å; F98-L206 HydrophobicContact CZ-CD2 3.81Å; F98-L206 HydrophobicContact CZ-CG 4.08Å; F98-L290 HydrophobicContact CD1-CD1 3.41Å; F98-L290 VanDerWaalsContact CD1-CD1 3.41Å; F98-L290 HydrophobicContact CD1-CD2 3.9Å; F98-L290 HydrophobicContact CD1-CG 4.04Å; F98-L290 HydrophobicContact CE1-CD1 3.8Å; F98-N294 VanDerWaalsContact C-ND2 3.34Å; F98-N294 WeakPolarHBondContact CB-OD1 3.22Å; F98-N294 PolarHBondContact O-ND2 2.95Å
99E88.6Confident92.2Very high63 Ų6342.1 Ų42.129%0.29423%0.232SC..Hα-helixtrans-76.1-39.5175.6-61.8-71.913600110.9E96 L97 V102 A103 N294 K298E96-E99 HydrophobicContact CB-CG 3.97Å; E96-E99 WeakPolarHBondContact O-CB 3.31Å; E96-E99 PolarHBondContact O-N 3.25Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 3.14Å; E99-V102 PolarHBondContact O-N 2.98Å; E99-A103 PolarHBondContact O-N 2.8Å; E99-N294 WeakPolarHBondContact OE1-CB 3.31Å; E99-N294 VanDerWaalsContact OE1-CG 3.23Å; E99-N294 PolarHBondContact OE1-ND2 3.33Å; E99-K298 VanDerWaalsContact CD-CE 3.49Å; E99-K298 WeakPolarHBondContact OE1-CE 3.18Å; E99-K298 IonicContact OE1-NZ 2.86Å; E99-K298 PolarHBondContact OE1-NZ 3.13Å; E99-K298 IonicContact OE2-NZ 2.62Å; E99-K298 PolarHBondContact OE2-NZ 2.97Å
100D91.6Very high92.2Very high47 Ų4741.3 Ų41.325%0.25123%0.23SC..Hα-helixtrans-62.7-43.1175.4179.479.9000111.4E96 L97 V102 A103 R104 L143E96-D100 PolarHBondContact O-N 3.18Å; L97-D100 PolarHBondContact O-N 2.67Å; D100-V102 VanDerWaalsContact C-N 3.25Å; D100-V102 PolarHBondContact O-N 3.46Å; D100-A103 WeakPolarHBondContact O-CA 3.18Å; D100-A103 WeakPolarHBondContact O-CB 2.88Å; D100-A103 PolarHBondContact O-N 3.33Å; D100-R104 WeakPolarHBondContact O-CG 3.31Å; D100-R104 PolarHBondContact O-N 3.03Å; D100-R104 IonicContact OD2-CZ 2.65Å; D100-R104 IonicContact OD2-NE 3.19Å; D100-R104 PolarHBondContact OD2-NE 3.24Å; D100-R104 IonicContact OD2-NH2 3.11Å; D100-R104 PolarHBondContact OD2-NH2 3.26Å; D100-L143 HydrophobicContact CB-CD1 3.29Å
101I89.8Confident92.2Very high0 Ų041.5 Ų41.50%023%0.231CC..Hα-helixtrans-55.8-42.6176-68.5166.5000111.2L97 A103 R104 Y107 L206 L290L97-I101 HydrophobicContact CD1-CD1 4.06Å; L97-I101 HydrophobicContact CD1-CG1 4.25Å; L97-I101 HydrophobicContact CG-CD1 4Å; L97-I101 WeakPolarHBondContact O-CG1 3.5Å; L97-I101 PolarHBondContact O-N 3.26Å; I101-A103 PolarHBondContact O-N 3.31Å; I101-R104 PolarHBondContact O-N 3.49Å; I101-Y107 HydrophobicContact CB-CE2 4.39Å; I101-Y107 HydrophobicContact CD1-CE2 3.96Å; I101-Y107 HydrophobicContact CG1-CD2 4.34Å; I101-Y107 HydrophobicContact CG1-CE2 3.84Å; I101-Y107 HydrophobicContact CG2-CD1 3.95Å; I101-Y107 HydrophobicContact CG2-CD2 3.7Å; I101-Y107 HydrophobicContact CG2-CE1 3.92Å; I101-Y107 HydrophobicContact CG2-CE2 3.67Å; I101-Y107 HydrophobicContact CG2-CG 3.83Å; I101-L206 HydrophobicContact CD1-CD2 3.49Å; I101-L206 VanDerWaalsContact CD1-CD2 3.49Å; I101-L290 HydrophobicContact CB-CD2 3.86Å; I101-L290 HydrophobicContact CD1-CD2 4.47Å; I101-L290 HydrophobicContact CG2-CD2 3.51Å
102V87.7Confident92.3Very high34 Ų3439.9 Ų39.921%0.20622%0.223CC..Hα-helixtrans-66.4-25.8178.7173.10000112.7F98 E99 D100 L290 K291F98-V102 WeakPolarHBondContact O-CG2 3.48Å; F98-V102 PolarHBondContact O-N 2.78Å; E99-V102 PolarHBondContact O-N 2.98Å; D100-V102 VanDerWaalsContact C-N 3.25Å; D100-V102 PolarHBondContact O-N 3.46Å; V102-L290 HydrophobicContact CG2-CB 3.94Å; V102-L290 HydrophobicContact CG2-CD2 3.98Å; V102-L290 HydrophobicContact CG2-CG 3.95Å; V102-K291 HydrophobicContact CG1-CB 3.71Å; V102-K291 HydrophobicContact CG1-CD 4.11Å; V102-K291 HydrophobicContact CG1-CG 3.84Å; V102-K291 HydrophobicContact CG2-CB 4.26Å
103A86.9Confident92.5Very high84 Ų8438.3 Ų38.369%0.69421%0.213SC*.Hα-helixtrans-86.9-6.9178.700000113.8E99 D100 I101E99-A103 PolarHBondContact O-N 2.8Å; D100-A103 WeakPolarHBondContact O-CA 3.18Å; D100-A103 WeakPolarHBondContact O-CB 2.88Å; D100-A103 PolarHBondContact O-N 3.33Å; I101-A103 PolarHBondContact O-N 3.31Å
104R86.9Confident92.7Very high65 Ų6538 Ų3825%0.24521%0.206CC..  trans-78.7136.9179.8-67.7173.7-169.9-164.74.6111D100 I101 Y106D100-R104 WeakPolarHBondContact O-CG 3.31Å; D100-R104 PolarHBondContact O-N 3.03Å; D100-R104 IonicContact OD2-CZ 2.65Å; D100-R104 IonicContact OD2-NE 3.19Å; D100-R104 PolarHBondContact OD2-NE 3.24Å; D100-R104 IonicContact OD2-NH2 3.11Å; D100-R104 PolarHBondContact OD2-NH2 3.26Å; I101-R104 PolarHBondContact O-N 3.49Å; R104-Y106 WeakPolarHBondContact CB-O 3.42Å; R104-Y106 PolarHBondContact O-N 3.11Å
105E86Confident92.9Very high188 Ų18837.5 Ų37.588%0.87920%0.201SC*.SBendtrans-67.5-27.1169.7-173.7179.3-169.100112H282E105-H282 PolarHBondContact O-CE1 2.99Å; E105-H282 PolarHBondContact O-NE2 3.18Å
106Y90Very high93.3Very high101 Ų10135.5 Ų35.540%0.39618%0.181SC..  trans-136.7133-179.2-179.5-83.3000110.7R104 M280 H282R104-Y106 WeakPolarHBondContact CB-O 3.42Å; R104-Y106 PolarHBondContact O-N 3.11Å; Y106-M280 PolarHBondContact OH-O 2.73Å; Y106-H282 HydrophobicContact CD2-CB 3.64Å; Y106-H282 AromaticContact CD2-CG 3.82Å; Y106-H282 HydrophobicContact CE2-CB 3.57Å
107Y94.5Very high93.6Very high1 Ų135.5 Ų35.50%0.00418%0.18CC..  trans-147.7132.3177.6-173.5-111.3000110.6I101 D111 A112 L206 H282 R283 T286 V287I101-Y107 HydrophobicContact CB-CE2 4.39Å; I101-Y107 HydrophobicContact CD1-CE2 3.96Å; I101-Y107 HydrophobicContact CG1-CD2 4.34Å; I101-Y107 HydrophobicContact CG1-CE2 3.84Å; I101-Y107 HydrophobicContact CG2-CD1 3.95Å; I101-Y107 HydrophobicContact CG2-CD2 3.7Å; I101-Y107 HydrophobicContact CG2-CE1 3.92Å; I101-Y107 HydrophobicContact CG2-CE2 3.67Å; I101-Y107 HydrophobicContact CG2-CG 3.83Å; Y107-D111 HydrophobicContact CD2-CB 3.7Å; Y107-D111 HydrophobicContact CE2-CB 3.71Å; Y107-A112 WeakPolarHBondContact OH-CB 3.49Å; Y107-L206 VanDerWaalsContact CE1-O 3.22Å; Y107-L206 WeakPolarHBondContact CE1-O 3.22Å; Y107-L206 PolarHBondContact OH-O 3.26Å; Y107-H282 PolarHBondContact N-CE1 3.48Å; Y107-H282 PolarHBondContact N-ND1 3.47Å; Y107-H282 WeakPolarHBondContact O-CA 3.34Å; Y107-H282 PolarHBondContact O-ND1 2.86Å; Y107-R283 PolarHBondContact O-N 2.89Å; Y107-T286 HydrophobicContact CD1-CG2 4.28Å; Y107-T286 HydrophobicContact CE1-CG2 4.06Å; Y107-V287 HydrophobicContact CD1-CG2 4.37Å; Y107-V287 HydrophobicContact CG-CG2 4.48Å
108S96.6Very high93.8Very high2 Ų236.2 Ų36.21%0.01418%0.184CC..  trans-137.3174.4-172.767.10000112.6A110 D111 A112 M281S108-A110 VanDerWaalsContact C-N 3.25Å; S108-A110 PolarHBondContact O-N 3.47Å; S108-A110 PolarHBondContact OG-N 3.41Å; S108-D111 PolarHBondContact N-OD2 2.86Å; S108-D111 PolarHBondContact O-N 2.86Å; S108-D111 PolarHBondContact OG-N 2.94Å; S108-D111 PolarHBondContact OG-OD2 3.33Å; S108-A112 PolarHBondContact O-N 2.93Å; S108-A112 VanDerWaalsContact O-N 3.13Å; S108-M281 WeakPolarHBondContact CB-O 3.44Å
109E98.2Very high94.1Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-62.9-33.9170.7-73.1-170.9-149.300112.2D111 A112 S113 L207 V240 T241 W270 A278 S279E109-D111 VanDerWaalsContact C-N 3.27Å; E109-D111 PolarHBondContact O-N 3.47Å; E109-A112 PolarHBondContact O-N 3.38Å; E109-S113 VanDerWaalsContact O-CB 3.26Å; E109-S113 WeakPolarHBondContact O-CB 3.49Å; E109-S113 PolarHBondContact O-N 2.93Å; E109-L207 HydrophobicContact CG-CD2 3.98Å; E109-V240 VanDerWaalsContact OE1-CA 3.25Å; E109-V240 WeakPolarHBondContact OE1-CA 3.49Å; E109-T241 PolarHBondContact OE1-N 3.43Å; E109-T241 WeakPolarHBondContact OE2-CB 2.96Å; E109-T241 VanDerWaalsContact OE2-CG2 3.29Å; E109-T241 WeakPolarHBondContact OE2-CG2 3.49Å; E109-T241 PolarHBondContact OE2-OG1 3.09Å; E109-W270 HydrophobicContact CB-CZ2 3.92Å; E109-W270 HydrophobicContact CG-CZ2 4.37Å; E109-W270 WeakPolarHBondContact O-CZ2 3.46Å; E109-W270 PolarHBondContact OE2-NE1 3.14Å; E109-A278 HydrophobicContact CB-CB 4.15Å; E109-S279 WeakPolarHBondContact CB-O 3.38Å; E109-S279 PolarHBondContact N-O 2.78Å; E109-S279 VanDerWaalsContact N-O 3.17Å
110A97.4Very high94.6Very high7 Ų733.4 Ų33.46%0.05817%0.171CC..Hα-helixtrans-61.6-38.717600000111.2S108 S113 H114 R274 A278 S279 M280S108-A110 VanDerWaalsContact C-N 3.25Å; S108-A110 PolarHBondContact O-N 3.47Å; S108-A110 PolarHBondContact OG-N 3.41Å; A110-S113 PolarHBondContact O-N 2.81Å; A110-H114 WeakPolarHBondContact O-CB 3.49Å; A110-H114 PolarHBondContact O-N 2.96Å; A110-R274 HydrophobicContact CB-CG 3.96Å; A110-R274 WeakPolarHBondContact O-CD 3.34Å; A110-A278 HydrophobicContact CB-CB 4.28Å; A110-S279 PolarHBondContact N-O 3.33Å; A110-M280 HydrophobicContact CB-CE 3.62Å; A110-M280 HydrophobicContact CB-SD 3.48Å; A110-M280 WeakPolarHBondContact CB-SD 3.48Å
111D96Very high94.9Very high40 Ų4034 Ų3421%0.21417%0.172CC..Hα-helixtrans-66.4-44.1174.9-60-60.8000111.7Y107 S108 E109 S113 H114 C115Y107-D111 HydrophobicContact CD2-CB 3.7Å; Y107-D111 HydrophobicContact CE2-CB 3.71Å; S108-D111 PolarHBondContact N-OD2 2.86Å; S108-D111 PolarHBondContact O-N 2.86Å; S108-D111 PolarHBondContact OG-N 2.94Å; S108-D111 PolarHBondContact OG-OD2 3.33Å; E109-D111 VanDerWaalsContact C-N 3.27Å; E109-D111 PolarHBondContact O-N 3.47Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 2.83Å; D111-H114 PolarHBondContact O-N 2.7Å; D111-C115 PolarHBondContact O-N 2.83Å; D111-C115 PolarHBondContact O-SG 2.9Å
112A97.6Very high95.4Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-60.6-43174.800000111.9Y107 S108 E109 H114 C115 I116 L206 L207 W270Y107-A112 WeakPolarHBondContact OH-CB 3.49Å; S108-A112 PolarHBondContact O-N 2.93Å; S108-A112 VanDerWaalsContact O-N 3.13Å; E109-A112 PolarHBondContact O-N 3.38Å; A112-H114 VanDerWaalsContact C-N 3.35Å; A112-H114 PolarHBondContact O-N 2.9Å; A112-C115 PolarHBondContact O-N 3.33Å; A112-I116 PolarHBondContact O-N 3.21Å; A112-L206 HydrophobicContact CB-CB 4.21Å; A112-L207 HydrophobicContact CB-CD2 3.8Å; A112-W270 HydrophobicContact CB-CH2 4.06Å
113S98.6Very high95.9Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-61.4-41.5175.3170.80000111.5E109 A110 D111 C115 I116 Q117 W270E109-S113 VanDerWaalsContact O-CB 3.26Å; E109-S113 WeakPolarHBondContact O-CB 3.49Å; E109-S113 PolarHBondContact O-N 2.93Å; A110-S113 PolarHBondContact O-N 2.81Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 2.83Å; S113-C115 PolarHBondContact O-N 3.22Å; S113-I116 WeakPolarHBondContact O-CG2 3.46Å; S113-Q117 WeakPolarHBondContact O-CB 3.41Å; S113-Q117 PolarHBondContact O-N 2.97Å; S113-W270 VanDerWaalsContact CA-CZ3 3.48Å; S113-W270 PolarHBondContact OG-O 3.23Å
114H97.4Very high96.5Very high66 Ų6629.6 Ų29.631%0.30614%0.136SC..Hα-helixtrans-65.5-37.1174.8-176.853.9000112.9A110 D111 A112 Q118A110-H114 WeakPolarHBondContact O-CB 3.49Å; A110-H114 PolarHBondContact O-N 2.96Å; D111-H114 PolarHBondContact O-N 2.7Å; A112-H114 VanDerWaalsContact C-N 3.35Å; A112-H114 PolarHBondContact O-N 2.9Å; H114-Q118 PolarHBondContact CE1-NE2 2.79Å; H114-Q118 PolarHBondContact NE2-NE2 3.37Å; H114-Q118 VanDerWaalsContact NE2-NE2 3.16Å; H114-Q118 PolarHBondContact O-N 2.9Å; H114-Q118 PolarHBondContact O-NE2 2.84Å
115C97.8Very high97Very high3 Ų327.9 Ų27.92%0.0213%0.13CC..Hα-helixtrans-67.1-50.5175.6-63.40000111.3L97 D111 A112 S113 Q117 Q118 I119 L206L97-C115 HydrophobicContact CD2-CB 4.16Å; D111-C115 PolarHBondContact O-N 2.83Å; D111-C115 PolarHBondContact O-SG 2.9Å; A112-C115 PolarHBondContact O-N 3.33Å; S113-C115 PolarHBondContact O-N 3.22Å; C115-Q117 VanDerWaalsContact C-N 3.26Å; C115-Q117 PolarHBondContact O-N 2.96Å; C115-Q118 PolarHBondContact O-N 2.76Å; C115-I119 WeakPolarHBondContact O-CG1 3.48Å; C115-I119 PolarHBondContact O-N 2.92Å; C115-I119 VanDerWaalsContact O-N 3.16Å; C115-L206 HydrophobicContact CB-CD1 4.28Å
116I98.6Very high97.6Very high0 Ų019 Ų190%09%0.089CC..Hα-helixtrans-65.7-31.6-178-155.864.6000111.9A112 S113 Q118 I119 L120 C199 I202 L203 W270 V271A112-I116 PolarHBondContact O-N 3.21Å; S113-I116 WeakPolarHBondContact O-CG2 3.46Å; I116-Q118 PolarHBondContact O-N 3.25Å; I116-I119 HydrophobicContact CD1-CB 4.41Å; I116-I119 HydrophobicContact CD1-CD1 4.17Å; I116-I119 PolarHBondContact O-N 3.49Å; I116-L120 HydrophobicContact CG1-CD1 4.2Å; I116-L120 HydrophobicContact CG1-CG 4.32Å; I116-L120 WeakPolarHBondContact O-CB 2.86Å; I116-L120 VanDerWaalsContact O-CG 3.25Å; I116-L120 WeakPolarHBondContact O-CG 3.5Å; I116-L120 PolarHBondContact O-N 2.88Å; I116-C199 HydrophobicContact CD1-CB 4.5Å; I116-I202 HydrophobicContact CD1-CG2 4.42Å; I116-L203 HydrophobicContact CB-CD1 4.26Å; I116-L203 HydrophobicContact CD1-CB 4.11Å; I116-L203 HydrophobicContact CG1-CB 4.32Å; I116-L203 HydrophobicContact CG1-CD1 4.31Å; I116-L203 HydrophobicContact CG2-CD1 4.33Å; I116-W270 HydrophobicContact CG2-CZ3 3.84Å; I116-V271 HydrophobicContact CG2-CG2 4.22Å
117Q98.8Very high98Very high44 Ų4414.9 Ų14.921%0.2067%0.073CC..Hα-helixtrans-56.2-52.1173.9-175.8-174-8.200110.9S113 C115 I119 L120 E121 L266 V271 R274S113-Q117 WeakPolarHBondContact O-CB 3.41Å; S113-Q117 PolarHBondContact O-N 2.97Å; C115-Q117 VanDerWaalsContact C-N 3.26Å; C115-Q117 PolarHBondContact O-N 2.96Å; Q117-I119 VanDerWaalsContact C-N 3.31Å; Q117-I119 PolarHBondContact O-N 3.26Å; Q117-L120 PolarHBondContact O-N 2.86Å; Q117-E121 WeakPolarHBondContact CG-OE1 2.88Å; Q117-E121 PolarHBondContact NE2-OE1 2.83Å; Q117-E121 WeakPolarHBondContact O-CG 3.15Å; Q117-E121 PolarHBondContact O-N 2.82Å; Q117-L266 HydrophobicContact CG-CD2 3.96Å; Q117-V271 HydrophobicContact CB-CG1 3.89Å; Q117-V271 HydrophobicContact CG-CG1 3.95Å; Q117-R274 VanDerWaalsContact OE1-NH2 3.14Å
118Q98.6Very high98.2Very high16 Ų1620.4 Ų20.48%0.07510%0.099CC..Hα-helixtrans-64.6-35.7-179.4-71.6178.680.300112.5N71 H114 C115 I116 A122 A151 V152N71-Q118 PolarHBondContact ND2-OE1 2.91Å; N71-Q118 VanDerWaalsContact ND2-OE1 3.08Å; H114-Q118 PolarHBondContact CE1-NE2 2.79Å; H114-Q118 PolarHBondContact NE2-NE2 3.37Å; H114-Q118 VanDerWaalsContact NE2-NE2 3.16Å; H114-Q118 PolarHBondContact O-N 2.9Å; H114-Q118 PolarHBondContact O-NE2 2.84Å; C115-Q118 PolarHBondContact O-N 2.76Å; I116-Q118 PolarHBondContact O-N 3.25Å; Q118-A122 PolarHBondContact O-N 2.8Å; Q118-A122 VanDerWaalsContact O-N 3.13Å; Q118-A151 VanDerWaalsContact OE1-CA 3.26Å; Q118-V152 HydrophobicContact CB-CB 4.04Å; Q118-V152 HydrophobicContact CB-CG2 4.46Å
119I98.8Very high98.3Very high4 Ų423.9 Ų23.92%0.02112%0.116CC..Hα-helixtrans-64.3-47.8174.3-63.8167.7000109.9L97 C115 I116 Q117 E121 A122 V123 L141 V152 I202L97-I119 HydrophobicContact CD2-CD1 4.44Å; C115-I119 WeakPolarHBondContact O-CG1 3.48Å; C115-I119 PolarHBondContact O-N 2.92Å; C115-I119 VanDerWaalsContact O-N 3.16Å; I116-I119 HydrophobicContact CD1-CB 4.41Å; I116-I119 HydrophobicContact CD1-CD1 4.17Å; I116-I119 PolarHBondContact O-N 3.49Å; Q117-I119 VanDerWaalsContact C-N 3.31Å; Q117-I119 PolarHBondContact O-N 3.26Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 PolarHBondContact O-N 3.23Å; I119-A122 WeakPolarHBondContact O-CB 3.1Å; I119-A122 PolarHBondContact O-N 2.94Å; I119-V123 HydrophobicContact CG2-CG2 4.39Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 3.13Å; I119-V123 PolarHBondContact O-N 3.42Å; I119-L141 HydrophobicContact CD1-CD1 3.63Å; I119-L141 HydrophobicContact CD1-CD2 3.99Å; I119-L141 HydrophobicContact CD1-CG 4.42Å; I119-L141 HydrophobicContact CG1-CD1 4.41Å; I119-L141 HydrophobicContact CG1-CD2 3.81Å; I119-L141 HydrophobicContact CG2-CD2 4.39Å; I119-V152 HydrophobicContact CG1-CG1 4.06Å; I119-I202 HydrophobicContact CD1-CG2 4.22Å
120L98.9Very high98.3Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-65.7-34.7178.9-72.3168.7000112.6I116 Q117 V123 L124 C199 M251 A262 A265 L266I116-L120 HydrophobicContact CG1-CD1 4.2Å; I116-L120 HydrophobicContact CG1-CG 4.32Å; I116-L120 WeakPolarHBondContact O-CB 2.86Å; I116-L120 VanDerWaalsContact O-CG 3.25Å; I116-L120 WeakPolarHBondContact O-CG 3.5Å; I116-L120 PolarHBondContact O-N 2.88Å; Q117-L120 PolarHBondContact O-N 2.86Å; L120-V123 PolarHBondContact O-N 3.05Å; L120-L124 WeakPolarHBondContact O-CB 2.92Å; L120-L124 PolarHBondContact O-N 2.73Å; L120-C199 HydrophobicContact CD2-CB 4.46Å; L120-M251 HydrophobicContact CD1-CE 3.91Å; L120-M251 HydrophobicContact CD2-CE 3.94Å; L120-M251 HydrophobicContact CG-CE 4.4Å; L120-A262 HydrophobicContact CD2-CB 4.39Å; L120-A265 HydrophobicContact CD1-CB 3.75Å; L120-A265 HydrophobicContact CD2-CB 4.04Å; L120-L266 HydrophobicContact CB-CD1 4.42Å; L120-L266 HydrophobicContact CB-CD2 3.68Å; L120-L266 HydrophobicContact CB-CG 3.84Å; L120-L266 HydrophobicContact CD1-CD2 4.41Å
121E98.8Very high98.3Very high58 Ų5824.1 Ų24.127%0.27112%0.119SC..Hα-helixtrans-61.9-45.5172.8-74.6165-179.700111.1Q117 I119 H125 L266Q117-E121 WeakPolarHBondContact CG-OE1 2.88Å; Q117-E121 PolarHBondContact NE2-OE1 2.83Å; Q117-E121 WeakPolarHBondContact O-CG 3.15Å; Q117-E121 PolarHBondContact O-N 2.82Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-E121 PolarHBondContact O-N 3.23Å; E121-H125 PolarHBondContact O-N 3.19Å; E121-L266 HydrophobicContact CG-CD1 4.15Å; E121-L266 HydrophobicContact CG-CD2 3.9Å
122A98.8Very high98.4Very high1 Ų122.2 Ų22.21%0.00811%0.109CC..Hα-helixtrans-62.3-46.717400000112.4N71 I72 Q118 I119 H125 C126 L154N71-A122 HydrophobicContact CB-CB 3.98Å; N71-A122 WeakPolarHBondContact O-CB 3.14Å; I72-A122 HydrophobicContact CD1-CB 4.41Å; I72-A122 HydrophobicContact CG1-CB 3.82Å; Q118-A122 PolarHBondContact O-N 2.8Å; Q118-A122 VanDerWaalsContact O-N 3.13Å; I119-A122 WeakPolarHBondContact O-CB 3.1Å; I119-A122 PolarHBondContact O-N 2.94Å; A122-H125 WeakPolarHBondContact O-CB 3.34Å; A122-H125 PolarHBondContact O-N 2.89Å; A122-C126 PolarHBondContact O-N 3.07Å; A122-C126 PolarHBondContact O-SG 3.03Å; A122-C126 VanDerWaalsContact O-SG 3.38Å; A122-L154 HydrophobicContact CB-CB 4.14Å; A122-L154 HydrophobicContact CB-CD2 4.29Å
123V98.8Very high98.5Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-64.4-42.2179.7171.60000111.3I119 L120 H125 C126 H127 L136 D195 I196 A262I119-V123 HydrophobicContact CG2-CG2 4.39Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 3.13Å; I119-V123 PolarHBondContact O-N 3.42Å; L120-V123 PolarHBondContact O-N 3.05Å; V123-H125 VanDerWaalsContact C-N 3.32Å; V123-H125 PolarHBondContact O-N 3Å; V123-C126 WeakPolarHBondContact O-CB 3.11Å; V123-C126 PolarHBondContact O-N 3.09Å; V123-H127 VanDerWaalsContact CG1-CE1 3.41Å; V123-H127 WeakPolarHBondContact CG1-CE1 3.08Å; V123-H127 WeakPolarHBondContact O-CB 3.34Å; V123-H127 PolarHBondContact O-CD2 2.81Å; V123-H127 VanDerWaalsContact O-CG 3.28Å; V123-H127 PolarHBondContact O-N 3.16Å; V123-L136 HydrophobicContact CG2-CD1 3.7Å; V123-L136 HydrophobicContact CG2-CD2 4.36Å; V123-D195 HydrophobicContact CG1-CB 4.07Å; V123-I196 HydrophobicContact CG1-CD1 4.11Å; V123-A262 HydrophobicContact CG1-CB 4.24Å
124L98.8Very high98.4Very high25 Ų2523.4 Ų23.413%0.13111%0.113CC..Hα-helixtrans-59.2-45175.2177.360.4000110.9L120 C126 H127 Q128 A262 Q263 L266L120-L124 WeakPolarHBondContact O-CB 2.92Å; L120-L124 PolarHBondContact O-N 2.73Å; L124-C126 PolarHBondContact O-N 3.32Å; L124-H127 PolarHBondContact O-N 3.09Å; L124-Q128 HydrophobicContact CD1-CG 4.15Å; L124-Q128 HydrophobicContact CG-CG 4.42Å; L124-Q128 WeakPolarHBondContact O-CB 3.25Å; L124-Q128 VanDerWaalsContact O-CG 3.32Å; L124-Q128 WeakPolarHBondContact O-CG 3.29Å; L124-Q128 PolarHBondContact O-N 3.43Å; L124-A262 HydrophobicContact CB-CB 3.91Å; L124-A262 HydrophobicContact CD1-CB 4.31Å; L124-Q263 HydrophobicContact CD1-CB 3.9Å; L124-L266 HydrophobicContact CB-CD1 4.34Å; L124-L266 HydrophobicContact CD2-CD1 3.67Å
125H98.8Very high98.4Very high30 Ų3020.9 Ų20.914%0.13910%0.102CC..Hα-helixtrans-59.8-44.8176.1-176.981.7000111.6K68 H69 E121 A122 V123 H127 Q128 M129K68-H125 PolarHBondContact N-NE2 2.85Å; K68-H125 PolarHBondContact O-CE1 3.4Å; H69-H125 HydrophobicContact CB-CB 4.22Å; H69-H125 AromaticContact CD2-CG 3.79Å; H69-H125 AromaticContact CD2-ND1 3.92Å; H69-H125 AromaticContact CG-CG 3.99Å; E121-H125 PolarHBondContact O-N 3.19Å; A122-H125 WeakPolarHBondContact O-CB 3.34Å; A122-H125 PolarHBondContact O-N 2.89Å; V123-H125 VanDerWaalsContact C-N 3.32Å; V123-H125 PolarHBondContact O-N 3Å; H125-H127 VanDerWaalsContact C-N 3.35Å; H125-H127 PolarHBondContact O-N 3.06Å; H125-Q128 PolarHBondContact O-N 3.31Å; H125-M129 VanDerWaalsContact O-CG 3.32Å; H125-M129 WeakPolarHBondContact O-CG 3.37Å; H125-M129 PolarHBondContact O-N 2.94Å; H125-M129 VanDerWaalsContact O-N 3.09Å
126C98.6Very high98.4Very high1 Ų120.8 Ų20.81%0.00710%0.101CC..Hα-helixtrans-56.4-49.1173-67.50000111.6L67 A122 V123 L124 Q128 M129 G130 V131L67-C126 HydrophobicContact CD2-CB 4.49Å; A122-C126 PolarHBondContact O-N 3.07Å; A122-C126 PolarHBondContact O-SG 3.03Å; A122-C126 VanDerWaalsContact O-SG 3.38Å; V123-C126 WeakPolarHBondContact O-CB 3.11Å; V123-C126 PolarHBondContact O-N 3.09Å; L124-C126 PolarHBondContact O-N 3.32Å; C126-Q128 VanDerWaalsContact C-N 3.34Å; C126-Q128 PolarHBondContact O-N 3.03Å; C126-M129 CarbonylContact O-C 3.54Å; C126-M129 PolarHBondContact O-N 3.28Å; C126-M129 VanDerWaalsContact O-N 3.1Å; C126-G130 PolarHBondContact O-N 3.42Å; C126-V131 CarbonylContact C-O 3.56Å; C126-V131 VanDerWaalsContact C-O 3.29Å; C126-V131 HydrophobicContact CB-CB 4.29Å; C126-V131 PolarHBondContact O-N 2.71Å
127H98.6Very high98.3Very high15 Ų1522.3 Ų22.37%0.06911%0.108CC..Hα-helixtrans-64.3-36.9-177.5-71.6-173.8000112.7V123 L124 H125 M129 G130 V131 K192 D195V123-H127 VanDerWaalsContact CG1-CE1 3.41Å; V123-H127 WeakPolarHBondContact CG1-CE1 3.08Å; V123-H127 WeakPolarHBondContact O-CB 3.34Å; V123-H127 PolarHBondContact O-CD2 2.81Å; V123-H127 VanDerWaalsContact O-CG 3.28Å; V123-H127 PolarHBondContact O-N 3.16Å; L124-H127 PolarHBondContact O-N 3.09Å; H125-H127 VanDerWaalsContact C-N 3.35Å; H125-H127 PolarHBondContact O-N 3.06Å; H127-M129 VanDerWaalsContact C-N 3.32Å; H127-G130 PolarHBondContact O-N 2.93Å; H127-V131 PolarHBondContact CD2-O 2.98Å; H127-K192 HydrophobicContact CB-CD 3.96Å; H127-K192 HydrophobicContact CB-CG 4.23Å; H127-K192 PolarHBondContact CE1-O 3.39Å; H127-K192 PolarHBondContact NE2-O 2.93Å; H127-K192 WeakPolarHBondContact O-CE 3.39Å; H127-K192 PolarHBondContact O-NZ 2.97Å; H127-D195 IonicContact CD2-OD2 3.68Å; H127-D195 IonicContact NE2-OD2 2.85Å; H127-D195 PolarHBondContact NE2-OD2 3.04Å
128Q98.1Very high98Very high116 Ų11620.2 Ų20.254%0.54210%0.098SC..Hα-helixtrans-66.8-33.6174.2-74.1174.1-12.400112.2L124 H125 C126 G130L124-Q128 HydrophobicContact CD1-CG 4.15Å; L124-Q128 HydrophobicContact CG-CG 4.42Å; L124-Q128 WeakPolarHBondContact O-CB 3.25Å; L124-Q128 VanDerWaalsContact O-CG 3.32Å; L124-Q128 WeakPolarHBondContact O-CG 3.29Å; L124-Q128 PolarHBondContact O-N 3.43Å; H125-Q128 PolarHBondContact O-N 3.31Å; C126-Q128 VanDerWaalsContact C-N 3.34Å; C126-Q128 PolarHBondContact O-N 3.03Å; Q128-G130 PolarHBondContact O-N 3.22Å
129M97.9Very high97.6Very high76 Ų7622.2 Ų22.237%0.37411%0.108SC..THydrogen-bonded Turntrans-82.47.1174.6-62.8-60.599.100113.2L66 L67 H125 C126 H127 V131L66-M129 HydrophobicContact CD1-SD 4.38Å; L66-M129 HydrophobicContact CD2-CB 4Å; L66-M129 HydrophobicContact CG-CB 4.23Å; L66-M129 HydrophobicContact CG-CG 4.48Å; L67-M129 HydrophobicContact CD2-CB 3.92Å; L67-M129 HydrophobicContact CD2-CG 4.07Å; H125-M129 VanDerWaalsContact O-CG 3.32Å; H125-M129 WeakPolarHBondContact O-CG 3.37Å; H125-M129 PolarHBondContact O-N 2.94Å; H125-M129 VanDerWaalsContact O-N 3.09Å; C126-M129 CarbonylContact O-C 3.54Å; C126-M129 PolarHBondContact O-N 3.28Å; C126-M129 VanDerWaalsContact O-N 3.1Å; H127-M129 VanDerWaalsContact C-N 3.32Å; M129-V131 VanDerWaalsContact C-N 3.32Å; M129-V131 PolarHBondContact O-N 3.28Å
130G97.9Very high97.5Very high11 Ų1122.5 Ų22.511%0.11311%0.109CC..THydrogen-bonded Turntrans68.729.8-178.900000113.1C126 H127 Q128 E162 V163C126-G130 PolarHBondContact O-N 3.42Å; H127-G130 PolarHBondContact O-N 2.93Å; Q128-G130 PolarHBondContact O-N 3.22Å; G130-E162 CarbonylContact O-C 3.54Å; G130-E162 VanDerWaalsContact O-CA 3.28Å; G130-E162 WeakPolarHBondContact O-CA 3.39Å; G130-V163 PolarHBondContact O-N 2.88Å
131V98.4Very high97.4Very high0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-112.3136.8178.4176.60000110.3I63 L66 L67 C126 H127 M129 A160 I161I63-V131 HydrophobicContact CD1-CG1 4.41Å; I63-V131 HydrophobicContact CG1-CG2 4.38Å; I63-V131 HydrophobicContact CG2-CG1 3.74Å; I63-V131 HydrophobicContact CG2-CG2 4.12Å; L66-V131 HydrophobicContact CD2-CG2 4.25Å; L67-V131 HydrophobicContact CD1-CG1 4.33Å; L67-V131 HydrophobicContact CD2-CB 4.45Å; L67-V131 HydrophobicContact CD2-CG2 4.25Å; C126-V131 CarbonylContact C-O 3.56Å; C126-V131 VanDerWaalsContact C-O 3.29Å; C126-V131 HydrophobicContact CB-CB 4.29Å; C126-V131 PolarHBondContact O-N 2.71Å; H127-V131 PolarHBondContact CD2-O 2.98Å; M129-V131 VanDerWaalsContact C-N 3.32Å; M129-V131 PolarHBondContact O-N 3.28Å; V131-A160 HydrophobicContact CG1-CB 4.2Å; V131-I161 WeakPolarHBondContact CA-O 3.44Å
132V98.4Very high97.3Very high0 Ų021.5 Ų21.50%011%0.105CC..EExtended strand (participates in β ladder)trans-116.3128.6171-172.40000108.5R134 A160 I161 V163 K192 V194 D195V132-R134 HydrophobicContact CB-CG 4.35Å; V132-R134 HydrophobicContact CG1-CG 3.8Å; V132-A160 VanDerWaalsContact O-CA 3.24Å; V132-A160 WeakPolarHBondContact O-CA 3.47Å; V132-I161 HydrophobicContact CB-CD1 4.32Å; V132-I161 HydrophobicContact CB-CG1 3.88Å; V132-I161 HydrophobicContact CG2-CG1 4.47Å; V132-I161 PolarHBondContact N-O 2.88Å; V132-I161 PolarHBondContact O-N 2.92Å; V132-V163 HydrophobicContact CG2-CB 4.49Å; V132-V163 HydrophobicContact CG2-CG1 3.72Å; V132-V163 HydrophobicContact CG2-CG2 3.88Å; V132-K192 HydrophobicContact CG2-CG 4Å; V132-V194 HydrophobicContact CG1-CG2 3.53Å; V132-D195 WeakPolarHBondContact CA-OD2 3.43Å; V132-D195 WeakPolarHBondContact CG1-OD2 3.49Å
133H98.5Very high97.2Very high1 Ų121.7 Ų21.71%0.00511%0.106CC..  trans-75-45.7-173-170.6-81.9000112.4D135 L136 A155 D156 F157 L159 D195H133-D135 PolarHBondContact CE1-O 3.31Å; H133-D135 VanDerWaalsContact CE1-O 3.3Å; H133-D135 PolarHBondContact ND1-N 3.26Å; H133-D135 PolarHBondContact ND1-O 2.99Å; H133-D135 PolarHBondContact O-N 3.4Å; H133-D135 VanDerWaalsContact O-N 3.07Å; H133-L136 HydrophobicContact CB-CG 4.2Å; H133-L136 PolarHBondContact ND1-N 3.45Å; H133-A155 PolarHBondContact NE2-O 3.28Å; H133-D156 PolarHBondContact CE1-O 2.78Å; H133-D156 VanDerWaalsContact CE1-O 3.23Å; H133-D156 PolarHBondContact NE2-O 3.23Å; H133-F157 AromaticContact CD2-CD1 3.72Å; H133-F157 AromaticContact CD2-CE1 3.57Å; H133-L159 CarbonylContact O-C 3.51Å; H133-D195 PolarHBondContact N-OD1 2.79Å; H133-D195 PolarHBondContact N-OD2 3.29Å
134R97.8Very high97Very high25 Ų2523 Ų239%0.09412%0.117CC..SBendtrans65.9-9.2179.1-52.2-165.9-60.8169.30.6117.5V132 L159 I161 F171 Y190 V194 D195V132-R134 HydrophobicContact CB-CG 4.35Å; V132-R134 HydrophobicContact CG1-CG 3.8Å; R134-L159 VanDerWaalsContact CZ-O 3.23Å; R134-L159 PolarHBondContact NE-O 3.36Å; R134-L159 PolarHBondContact NH2-O 2.89Å; R134-I161 HydrophobicContact CG-CG1 4.34Å; R134-I161 VanDerWaalsContact NH2-CG2 3.35Å; R134-F171 PolarHBondContact NH1-O 2.81Å; R134-Y190 HydrophobicContact CG-CE2 4.47Å; R134-Y190 PolarHBondContact NH1-OH 2.83Å; R134-V194 HydrophobicContact CG-CG2 4.3Å; R134-D195 PolarHBondContact N-OD1 2.94Å
135D97Very high96.7Very high12 Ų1223.3 Ų23.36%0.06412%0.121CC..  trans-133.946.1176.5-160.438.7000112.8H133 K137 N140 L159 T176H133-D135 PolarHBondContact CE1-O 3.31Å; H133-D135 VanDerWaalsContact CE1-O 3.3Å; H133-D135 PolarHBondContact ND1-N 3.26Å; H133-D135 PolarHBondContact ND1-O 2.99Å; H133-D135 PolarHBondContact O-N 3.4Å; H133-D135 VanDerWaalsContact O-N 3.07Å; D135-K137 PolarHBondContact O-N 3.35Å; D135-K137 IonicContact OD1-NZ 3.76Å; D135-K137 WeakPolarHBondContact OD2-CE 3.2Å; D135-K137 IonicContact OD2-NZ 3.65Å; D135-K137 PolarHBondContact OD2-NZ 2.84Å; D135-N140 PolarHBondContact O-ND2 2.82Å; D135-L159 HydrophobicContact CB-CB 4.24Å; D135-L159 HydrophobicContact CB-CD1 3.87Å; D135-L159 HydrophobicContact CB-CG 4.5Å; D135-T176 PolarHBondContact OD1-N 3.42Å; D135-T176 VanDerWaalsContact OD1-N 3.11Å; D135-T176 PolarHBondContact OD1-OG1 3.26Å
136L98.3Very high96.3Very high1 Ų130.2 Ų30.21%0.00515%0.151CC..  trans-70.5123.4172.8-76.7172.4000110.1V123 H133 L154 D195 A198 I202V123-L136 HydrophobicContact CG2-CD1 3.7Å; V123-L136 HydrophobicContact CG2-CD2 4.36Å; H133-L136 HydrophobicContact CB-CG 4.2Å; H133-L136 PolarHBondContact ND1-N 3.45Å; L136-L154 HydrophobicContact CD2-CD1 3.37Å; L136-L154 HydrophobicContact CD2-CD2 4.01Å; L136-L154 HydrophobicContact CD2-CG 4.35Å; L136-D195 HydrophobicContact CD1-CB 3.68Å; L136-D195 WeakPolarHBondContact CD1-O 3.25Å; L136-A198 HydrophobicContact CB-CB 3.69Å; L136-A198 HydrophobicContact CD1-CB 4.47Å; L136-I202 HydrophobicContact CB-CD1 4.07Å
137K95.6Very high95.7Very high32 Ų3234.5 Ų34.514%0.13918%0.18CC..SBendtrans-164.8164.3-177.163.1-171.9-171.9-156.20110.8D135 E139 N140 T176 Y179D135-K137 PolarHBondContact O-N 3.35Å; D135-K137 IonicContact OD1-NZ 3.76Å; D135-K137 WeakPolarHBondContact OD2-CE 3.2Å; D135-K137 IonicContact OD2-NZ 3.65Å; D135-K137 PolarHBondContact OD2-NZ 2.84Å; K137-E139 VanDerWaalsContact C-N 3.27Å; K137-E139 WeakPolarHBondContact CB-OE2 3.33Å; K137-E139 HydrophobicContact CD-CB 4.38Å; K137-E139 HydrophobicContact CD-CG 4.49Å; K137-E139 WeakPolarHBondContact CD-OE2 3.47Å; K137-E139 HydrophobicContact CG-CB 4.11Å; K137-E139 WeakPolarHBondContact CG-OE2 3.37Å; K137-E139 PolarHBondContact O-N 3.37Å; K137-N140 HydrophobicContact CG-CB 4.35Å; K137-N140 PolarHBondContact O-N 3.2Å; K137-T176 HydrophobicContact CD-CG2 4.39Å; K137-T176 VanDerWaalsContact CD-OG1 3.26Å; K137-T176 WeakPolarHBondContact CD-OG1 3.33Å; K137-T176 PolarHBondContact NZ-OG1 3.19Å; K137-T176 VanDerWaalsContact NZ-OG1 3.08Å; K137-Y179 HydrophobicContact CB-CD1 4.42Å; K137-Y179 HydrophobicContact CB-CD2 3.96Å; K137-Y179 HydrophobicContact CB-CE1 4.36Å; K137-Y179 HydrophobicContact CB-CE2 3.87Å; K137-Y179 HydrophobicContact CB-CG 4.25Å
138P93.1Very high94.8Very high0 Ų042.9 Ų42.90%022%0.216CC..G310 helixtrans-47.7-41.3178.7-34.339.8000115.5F98 N140 L141 Y179 F293F98-P138 HydrophobicContact CD2-CB 3.43Å; F98-P138 VanDerWaalsContact CD2-CB 3.43Å; F98-P138 HydrophobicContact CD2-CG 3.95Å; F98-P138 HydrophobicContact CE1-CG 4.4Å; F98-P138 HydrophobicContact CE2-CB 3.61Å; F98-P138 HydrophobicContact CE2-CG 3.64Å; F98-P138 HydrophobicContact CG-CB 3.98Å; F98-P138 HydrophobicContact CG-CG 4.44Å; F98-P138 HydrophobicContact CZ-CB 4.29Å; F98-P138 HydrophobicContact CZ-CG 3.87Å; P138-N140 PolarHBondContact O-N 3.17Å; P138-L141 PolarHBondContact O-N 2.92Å; P138-L141 VanDerWaalsContact O-N 3.17Å; P138-Y179 WeakPolarHBondContact CD-OH 3.08Å; P138-Y179 VanDerWaalsContact CG-OH 3.31Å; P138-Y179 WeakPolarHBondContact CG-OH 3.42Å; P138-F293 HydrophobicContact CG-CE1 4.11Å; P138-F293 HydrophobicContact CG-CZ 4.3Å
139E90.6Very high94Very high59 Ų5943.3 Ų43.328%0.27622%0.222SC..G310 helixtrans-56.6-31.7179.1-6771.8-171.300112.9K137 R297K137-E139 VanDerWaalsContact C-N 3.27Å; K137-E139 WeakPolarHBondContact CB-OE2 3.33Å; K137-E139 HydrophobicContact CD-CB 4.38Å; K137-E139 HydrophobicContact CD-CG 4.49Å; K137-E139 WeakPolarHBondContact CD-OE2 3.47Å; K137-E139 HydrophobicContact CG-CB 4.11Å; K137-E139 WeakPolarHBondContact CG-OE2 3.37Å; K137-E139 PolarHBondContact O-N 3.37Å; E139-R297 WeakPolarHBondContact OE1-CD 3.49Å; E139-R297 WeakPolarHBondContact OE1-CG 3.28Å; E139-R297 IonicContact OE1-CZ 3.51Å; E139-R297 IonicContact OE1-NE 2.78Å; E139-R297 IonicContact OE1-NH1 3.93Å; E139-R297 PolarHBondContact OE1-NH1 3.48Å; E139-R297 IonicContact OE2-NH1 3.06Å
140N95.4Very high93.8Very high9 Ų940.4 Ų40.45%0.04821%0.21CC..G310 helixtrans-96.47.5-172.5-69.7-12.2000112.2D135 K137 P138 L154 A155D135-N140 PolarHBondContact O-ND2 2.82Å; K137-N140 HydrophobicContact CG-CB 4.35Å; K137-N140 PolarHBondContact O-N 3.2Å; P138-N140 PolarHBondContact O-N 3.17Å; N140-L154 HydrophobicContact CB-CD1 4.49Å; N140-L154 WeakPolarHBondContact O-CA 3.42Å; N140-A155 WeakPolarHBondContact CB-O 3.32Å; N140-A155 PolarHBondContact O-N 3.28Å
141L97.4Very high93.7Very high1 Ų141.5 Ų41.51%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-113.297179.7-63.8175.5000109.7L97 F98 I119 P138 V152 L154 I202L97-L141 HydrophobicContact CB-CB 4.23Å; L97-L141 WeakPolarHBondContact CB-O 3.35Å; L97-L141 HydrophobicContact CD2-CB 4.42Å; L97-L141 PolarHBondContact N-O 3.04Å; F98-L141 HydrophobicContact CE2-CD1 4.07Å; I119-L141 HydrophobicContact CD1-CD1 3.63Å; I119-L141 HydrophobicContact CD1-CD2 3.99Å; I119-L141 HydrophobicContact CD1-CG 4.42Å; I119-L141 HydrophobicContact CG1-CD1 4.41Å; I119-L141 HydrophobicContact CG1-CD2 3.81Å; I119-L141 HydrophobicContact CG2-CD2 4.39Å; P138-L141 PolarHBondContact O-N 2.92Å; P138-L141 VanDerWaalsContact O-N 3.17Å; L141-V152 HydrophobicContact CD2-CG1 4.38Å; L141-L154 HydrophobicContact CD2-CD1 4.3Å; L141-I202 HydrophobicContact CD1-CD1 4.17Å; L141-I202 HydrophobicContact CD1-CG2 3.97Å
142L95.9Very high93.7Very high36 Ų3641.7 Ų41.719%0.18822%0.219CC..EExtended strand (participates in β ladder)trans-104.7159-174.6-54.2-178.7000111.1V92 G95 E96 V152 K153 A155V92-L142 HydrophobicContact CG2-CB 4.12Å; V92-L142 HydrophobicContact CG2-CD1 3.6Å; G95-L142 CarbonylContact O-C 3.53Å; G95-L142 VanDerWaalsContact O-CA 3.29Å; G95-L142 WeakPolarHBondContact O-CA 3.23Å; E96-L142 HydrophobicContact CG-CD2 4.03Å; L142-V152 CarbonylContact O-C 3.58Å; L142-V152 WeakPolarHBondContact O-CA 3.37Å; L142-K153 PolarHBondContact N-O 3.24Å; L142-K153 PolarHBondContact O-N 3.08Å; L142-A155 HydrophobicContact CD1-CB 3.73Å; L142-A155 HydrophobicContact CG-CB 4.15Å
143L96.3Very high93.7Very high5 Ų542.9 Ų42.93%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-101.2135.9171-69.9175.5000110.5G94 G95 L97 D100 S145 A150 V152G94-L143 VanDerWaalsContact CA-O 3.29Å; G94-L143 WeakPolarHBondContact CA-O 3.29Å; G94-L143 PolarHBondContact N-O 3.43Å; G95-L143 PolarHBondContact O-N 3.11Å; L97-L143 HydrophobicContact CD1-CD2 4.02Å; L97-L143 HydrophobicContact CD1-CG 4.47Å; D100-L143 HydrophobicContact CB-CD1 3.29Å; L143-S145 PolarHBondContact O-N 3.44Å; L143-A150 HydrophobicContact CB-CB 4.48Å; L143-V152 HydrophobicContact CD2-CG2 4.04Å
144A94.7Very high93.7Very high27 Ų2743 Ų4322%0.22323%0.225CC..SBendtrans-56.7-39.1-178.600000112.6T93 A151 K153T93-A144 PolarHBondContact N-O 3.39Å; T93-A144 VanDerWaalsContact N-O 3.11Å; A144-A151 HydrophobicContact CB-CB 4.45Å; A144-A151 PolarHBondContact N-O 3.49Å; A144-K153 HydrophobicContact CB-CD 4.05Å
145S93.6Very high93.5Very high33 Ų3342.4 Ų42.423%0.23123%0.226CC..  trans-154.1177.5177.871.80000111.2G94 L143 C147 A150G94-S145 VanDerWaalsContact CA-O 3.25Å; G94-S145 WeakPolarHBondContact CA-O 3.46Å; L143-S145 PolarHBondContact O-N 3.44Å; S145-C147 PolarHBondContact O-N 3.31Å; S145-C147 WeakPolarHBondContact OG-CB 3.24Å; S145-C147 PolarHBondContact OG-N 2.73Å; S145-C147 PolarHBondContact OG-SG 3.34Å; S145-A150 WeakPolarHBondContact O-CB 3.33Å
146K89.2Confident93.2Very high175 Ų17545.3 Ų45.376%0.76124%0.241SC*.SBendtrans-81.82172.4-62.1-174178.3-178.20113.6
147C87.4Confident93Very high90 Ų9045.5 Ų45.561%0.60824%0.242SC*.SBendtrans-66.2146.7178.9-62.90000110S145 N149 A150S145-C147 PolarHBondContact O-N 3.31Å; S145-C147 WeakPolarHBondContact OG-CB 3.24Å; S145-C147 PolarHBondContact OG-N 2.73Å; S145-C147 PolarHBondContact OG-SG 3.34Å; C147-N149 PolarHBondContact O-N 3.08Å; C147-A150 WeakPolarHBondContact O-CB 3.48Å; C147-A150 PolarHBondContact O-N 3.1Å
148K79.3Confident92.7Very high192 Ų19244.9 Ų44.984%0.83524%0.244SC*.THydrogen-bonded Turntrans-55132.6171.7-170.4173.3-178.2174.80109.3A150K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.46Å
149N81.9Confident92.6Very high124 Ų12447.7 Ų47.766%0.66326%0.259SS*.THydrogen-bonded Turntrans63.328.8-176.8-50.1-26.7000114.7C147C147-N149 PolarHBondContact O-N 3.08Å
150A93.1Very high92.9Very high16 Ų1644.9 Ų44.913%0.13225%0.246CC..PPolyproline II helixtrans-55.4141.7169.700000111.3L143 S145 C147 K148L143-A150 HydrophobicContact CB-CB 4.48Å; S145-A150 WeakPolarHBondContact O-CB 3.33Å; C147-A150 WeakPolarHBondContact O-CB 3.48Å; C147-A150 PolarHBondContact O-N 3.1Å; K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.46Å
151A96.3Very high92.9Very high34 Ų3444.7 Ų44.728%0.28125%0.245SC..PPolyproline II helixtrans-66.3140.7-179.100000111.5Q118 A144Q118-A151 VanDerWaalsContact OE1-CA 3.26Å; A144-A151 HydrophobicContact CB-CB 4.45Å; A144-A151 PolarHBondContact N-O 3.49Å
152V98Very high92.9Very high3 Ų348.2 Ų48.22%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-74131.5168.6-176.80000108.4N71 L97 Q118 I119 L141 L142 L143N71-V152 WeakPolarHBondContact CA-O 3.5Å; N71-V152 VanDerWaalsContact CB-O 3.27Å; N71-V152 WeakPolarHBondContact CB-O 3.35Å; N71-V152 PolarHBondContact ND2-O 2.93Å; L97-V152 HydrophobicContact CD1-CG2 4.12Å; L97-V152 HydrophobicContact CD2-CG1 4.24Å; L97-V152 HydrophobicContact CD2-CG2 4.19Å; Q118-V152 HydrophobicContact CB-CB 4.04Å; Q118-V152 HydrophobicContact CB-CG2 4.46Å; I119-V152 HydrophobicContact CG1-CG1 4.06Å; L141-V152 HydrophobicContact CD2-CG1 4.38Å; L142-V152 CarbonylContact O-C 3.58Å; L142-V152 WeakPolarHBondContact O-CA 3.37Å; L143-V152 HydrophobicContact CD2-CG2 4.04Å
153K98.3Very high92.8Very high26 Ų2647.2 Ų47.211%0.11326%0.256CS..EExtended strand (participates in β ladder)trans-123.7121.9178.7-77-178.4168.2-85.20110.4P70 N71 I72 V73 D90 V92 L142 A144P70-K153 WeakPolarHBondContact O-CE 3.37Å; P70-K153 PolarHBondContact O-NZ 3.23Å; N71-K153 CarbonylContact O-C 3.57Å; N71-K153 WeakPolarHBondContact O-CA 3.49Å; I72-K153 PolarHBondContact O-NZ 2.97Å; V73-K153 HydrophobicContact CG2-CB 3.87Å; V73-K153 HydrophobicContact CG2-CD 4.46Å; D90-K153 IonicContact OD2-NZ 2.73Å; D90-K153 PolarHBondContact OD2-NZ 3.33Å; V92-K153 HydrophobicContact CG1-CD 3.56Å; L142-K153 PolarHBondContact N-O 3.24Å; L142-K153 PolarHBondContact O-N 3.08Å; A144-K153 HydrophobicContact CB-CD 4.05Å
154L98.2Very high92.6Very high4 Ų454 Ų542%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-71.8130.1170.6178.658.7000110.3N71 I72 V73 A122 L136 N140 L141 F157N71-L154 PolarHBondContact O-N 2.87Å; I72-L154 HydrophobicContact CG1-CB 4.46Å; V73-L154 PolarHBondContact N-O 3.25Å; A122-L154 HydrophobicContact CB-CB 4.14Å; A122-L154 HydrophobicContact CB-CD2 4.29Å; L136-L154 HydrophobicContact CD2-CD1 3.37Å; L136-L154 HydrophobicContact CD2-CD2 4.01Å; L136-L154 HydrophobicContact CD2-CG 4.35Å; N140-L154 HydrophobicContact CB-CD1 4.49Å; N140-L154 WeakPolarHBondContact O-CA 3.42Å; L141-L154 HydrophobicContact CD2-CD1 4.3Å; L154-F157 HydrophobicContact CD2-CE1 4.48Å; L154-F157 HydrophobicContact CD2-CZ 3.99Å; L154-F157 HydrophobicContact CG-CE2 4.49Å; L154-F157 HydrophobicContact CG-CZ 4.09Å
155A94.9Very high92.4Very high12 Ų1255 Ų5510%0.09930%0.302CS..  trans-125.6168.8-178.700000112V73 H133 N140 L142V73-A155 HydrophobicContact CB-CB 4.47Å; V73-A155 HydrophobicContact CG2-CB 3.84Å; H133-A155 PolarHBondContact NE2-O 3.28Å; N140-A155 WeakPolarHBondContact CB-O 3.32Å; N140-A155 PolarHBondContact O-N 3.28Å; L142-A155 HydrophobicContact CD1-CB 3.73Å; L142-A155 HydrophobicContact CG-CB 4.15Å
156D90.3Very high92.2Very high72 Ų7259.8 Ų59.839%0.38533%0.325SS..  trans59.489.4174.2-163.71.9000117.1H133 G158H133-D156 PolarHBondContact CE1-O 2.78Å; H133-D156 VanDerWaalsContact CE1-O 3.23Å; H133-D156 PolarHBondContact NE2-O 3.23Å; D156-G158 PolarHBondContact OD1-N 3.29Å; D156-G158 VanDerWaalsContact OD1-N 3.08Å
157F94.1Very high92.2Very high6 Ų657.6 Ų57.63%0.02632%0.317CS..  trans-95.519.8176.8-68.2-97.3000113.3I63 L67 I72 H133 L154 L159 A160I63-F157 HydrophobicContact CG2-CB 4.27Å; I63-F157 HydrophobicContact CG2-CD1 3.93Å; I63-F157 HydrophobicContact CG2-CG 4.3Å; L67-F157 HydrophobicContact CD1-CD1 3.68Å; L67-F157 HydrophobicContact CD1-CE1 3.18Å; L67-F157 HydrophobicContact CD1-CE2 4.34Å; L67-F157 HydrophobicContact CD1-CG 4.43Å; L67-F157 HydrophobicContact CD1-CZ 3.58Å; I72-F157 HydrophobicContact CD1-CZ 4.49Å; I72-F157 HydrophobicContact CG2-CE2 3.74Å; I72-F157 HydrophobicContact CG2-CZ 3.79Å; H133-F157 AromaticContact CD2-CD1 3.72Å; H133-F157 AromaticContact CD2-CE1 3.57Å; L154-F157 HydrophobicContact CD2-CE1 4.48Å; L154-F157 HydrophobicContact CD2-CZ 3.99Å; L154-F157 HydrophobicContact CG-CE2 4.49Å; L154-F157 HydrophobicContact CG-CZ 4.09Å; F157-L159 PolarHBondContact O-N 3.03Å; F157-L159 VanDerWaalsContact O-N 3.14Å; F157-A160 HydrophobicContact CB-CB 3.88Å; F157-A160 HydrophobicContact CD1-CB 3.91Å; F157-A160 HydrophobicContact CG-CB 4.41Å; F157-A160 VanDerWaalsContact O-CB 3.25Å; F157-A160 WeakPolarHBondContact O-CB 3.44Å; F157-A160 PolarHBondContact O-N 2.76Å
158G89.7Confident92.4Very high18 Ų1857.7 Ų57.719%0.18631%0.308CS..THydrogen-bonded Turntrans-60.8-25.8-175.800000114.6D156D156-G158 PolarHBondContact OD1-N 3.29Å; D156-G158 VanDerWaalsContact OD1-N 3.08Å
159L91.1Very high93.2Very high59 Ų5950.5 Ų50.531%0.30929%0.285SS..THydrogen-bonded Turntrans-101.10.4174.8-64.8-176.2000113.9H133 R134 D135 F157 A174H133-L159 CarbonylContact O-C 3.51Å; R134-L159 VanDerWaalsContact CZ-O 3.23Å; R134-L159 PolarHBondContact NE-O 3.36Å; R134-L159 PolarHBondContact NH2-O 2.89Å; D135-L159 HydrophobicContact CB-CB 4.24Å; D135-L159 HydrophobicContact CB-CD1 3.87Å; D135-L159 HydrophobicContact CB-CG 4.5Å; F157-L159 PolarHBondContact O-N 3.03Å; F157-L159 VanDerWaalsContact O-N 3.14Å; L159-A174 HydrophobicContact CD1-CB 4.42Å; L159-A174 HydrophobicContact CD2-CB 4.45Å
160A96.1Very high93.8Very high0 Ų050 Ų500%027%0.274CS..  trans-66.8154.6-177.200000112.5R59 I63 V131 V132 F157R59-A160 PolarHBondContact NE-O 3.33Å; I63-A160 HydrophobicContact CD1-CB 3.77Å; I63-A160 HydrophobicContact CG2-CB 4.32Å; V131-A160 HydrophobicContact CG1-CB 4.2Å; V132-A160 VanDerWaalsContact O-CA 3.24Å; V132-A160 WeakPolarHBondContact O-CA 3.47Å; F157-A160 HydrophobicContact CB-CB 3.88Å; F157-A160 HydrophobicContact CD1-CB 3.91Å; F157-A160 HydrophobicContact CG-CB 4.41Å; F157-A160 VanDerWaalsContact O-CB 3.25Å; F157-A160 WeakPolarHBondContact O-CB 3.44Å; F157-A160 PolarHBondContact O-N 2.76Å
161I95.8Very high93.7Very high5 Ų552.3 Ų52.33%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-134.4156.1178.256167.4000110.8V131 V132 R134 V163 F171 Y190V131-I161 WeakPolarHBondContact CA-O 3.44Å; V132-I161 HydrophobicContact CB-CD1 4.32Å; V132-I161 HydrophobicContact CB-CG1 3.88Å; V132-I161 HydrophobicContact CG2-CG1 4.47Å; V132-I161 PolarHBondContact N-O 2.88Å; V132-I161 PolarHBondContact O-N 2.92Å; R134-I161 HydrophobicContact CG-CG1 4.34Å; R134-I161 VanDerWaalsContact NH2-CG2 3.35Å; I161-V163 HydrophobicContact CD1-CG1 3.97Å; I161-V163 HydrophobicContact CG1-CG1 4.35Å; I161-F171 HydrophobicContact CD1-CB 3.71Å; I161-F171 HydrophobicContact CD1-CD1 3.67Å; I161-F171 HydrophobicContact CD1-CD2 3.3Å; I161-F171 HydrophobicContact CD1-CE1 4.04Å; I161-F171 HydrophobicContact CD1-CE2 3.7Å; I161-F171 HydrophobicContact CD1-CG 3.28Å; I161-F171 HydrophobicContact CD1-CZ 4.05Å; I161-Y190 HydrophobicContact CD1-CE2 4.44Å
162E96.1Very high93.4Very high76 Ų7651.7 Ų51.736%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-94.8137.9168.2-68.9159.712200109.4R62 I63 G130R62-E162 IonicContact CZ-OE2 2.73Å; R62-E162 IonicContact NE-OE1 3.86Å; R62-E162 PolarHBondContact NE-OE1 2.87Å; R62-E162 VanDerWaalsContact NE-OE1 3.11Å; R62-E162 IonicContact NE-OE2 3.57Å; R62-E162 PolarHBondContact NE-OE2 2.96Å; R62-E162 IonicContact NH2-OE2 2.91Å; R62-E162 PolarHBondContact NH2-OE2 3.18Å; I63-E162 HydrophobicContact CD1-CG 4.22Å; I63-E162 HydrophobicContact CG1-CG 3.99Å; G130-E162 CarbonylContact O-C 3.54Å; G130-E162 VanDerWaalsContact O-CA 3.28Å; G130-E162 WeakPolarHBondContact O-CA 3.39Å
163V95.7Very high93.1Very high14 Ų1455.9 Ų55.99%0.08530%0.296CS..  trans-126.1144.7177.3-60.60000109.5G130 V132 I161 F171 K192G130-V163 PolarHBondContact O-N 2.88Å; V132-V163 HydrophobicContact CG2-CB 4.49Å; V132-V163 HydrophobicContact CG2-CG1 3.72Å; V132-V163 HydrophobicContact CG2-CG2 3.88Å; I161-V163 HydrophobicContact CD1-CG1 3.97Å; I161-V163 HydrophobicContact CG1-CG1 4.35Å; V163-F171 HydrophobicContact CG1-CE1 4.48Å; V163-F171 HydrophobicContact CG1-CE2 3.94Å; V163-F171 HydrophobicContact CG1-CZ 3.69Å; V163-K192 HydrophobicContact CG2-CG 4.38Å
164Q91.6Very high92.7Very high147 Ų14755.6 Ų55.669%0.68730%0.299SS*.  trans-90.4112.2178.4-66.5-170.6-0.200110.3D166 Q167Q164-D166 PolarHBondContact O-N 3.44Å; Q164-Q167 VanDerWaalsContact O-CB 3.3Å; Q164-Q167 WeakPolarHBondContact O-CB 3.5Å; Q164-Q167 WeakPolarHBondContact O-CG 3.41Å; Q164-Q167 PolarHBondContact O-N 3.04Å
165G90.6Very high92.3Very high50 Ų5056.4 Ų56.452%0.51531%0.308SS..THydrogen-bonded Turntrans56.6-123.7-177.800000111.3K192G165-K192 VanDerWaalsContact O-CE 3.24Å; G165-K192 WeakPolarHBondContact O-CE 3.27Å; G165-K192 PolarHBondContact O-NZ 3.49Å
166D89.2Confident92.1Very high133 Ų13357.8 Ų57.871%0.71132%0.315SS*.THydrogen-bonded Turntrans-108.216176.6-59.7-39.6000112.9Q164 Q168 K192Q164-D166 PolarHBondContact O-N 3.44Å; D166-Q168 PolarHBondContact O-N 2.84Å; D166-K192 IonicContact OD1-NZ 3.91Å; D166-K192 PolarHBondContact OD1-NZ 2.87Å
167Q89.2Confident92.1Very high129 Ų12956.3 Ų56.360%0.60331%0.309SS*.  trans-63.1135176.4-67.2-177.7-1.900110.9Q164Q164-Q167 VanDerWaalsContact O-CB 3.3Å; Q164-Q167 WeakPolarHBondContact O-CB 3.5Å; Q164-Q167 WeakPolarHBondContact O-CG 3.41Å; Q164-Q167 PolarHBondContact O-N 3.04Å
168Q92.2Very high92.1Very high91 Ų9156.9 Ų56.943%0.42532%0.317SS..  trans-104.9141.9173.9-62.8-173.50.700109.7D166 A189 Y190D166-Q168 PolarHBondContact O-N 2.84Å; Q168-A189 HydrophobicContact CB-CB 4.11Å; Q168-A189 PolarHBondContact OE1-O 2.87Å; Q168-Y190 WeakPolarHBondContact CA-O 3.47Å
169A94.3Very high92.5Very high41 Ų4157.3 Ų57.334%0.33931%0.313SS..BIsolated β-bridgetrans-146.2169.8174.900000110.3F171 Y190A169-F171 HydrophobicContact CB-CD2 4.38Å; A169-F171 HydrophobicContact CB-CE1 4.03Å; A169-F171 HydrophobicContact CB-CE2 3.81Å; A169-F171 HydrophobicContact CB-CZ 3.61Å; A169-F171 WeakPolarHBondContact O-CD2 3.42Å; A169-F171 WeakPolarHBondContact O-CE2 3.36Å; A169-F171 PolarHBondContact O-N 2.71Å; A169-Y190 PolarHBondContact N-O 2.73Å; A169-Y190 PolarHBondContact O-N 2.93Å
170W94.9Very high92.8Very high114 Ų11454.8 Ų54.843%0.43230%0.3SS..  trans-83.2103.3170.2179.8-114000110G172 F173 K187 E188 Y190W170-G172 VanDerWaalsContact C-N 3.33Å; W170-F173 HydrophobicContact CH2-CB 4.44Å; W170-F173 HydrophobicContact CZ2-CB 4.41Å; W170-K187 HydrophobicContact CH2-CB 3.9Å; W170-K187 HydrophobicContact CH2-CG 3.98Å; W170-K187 HydrophobicContact CZ2-CB 4.25Å; W170-K187 HydrophobicContact CZ2-CG 4.29Å; W170-K187 HydrophobicContact CZ3-CB 4.14Å; W170-E188 VanDerWaalsContact CE3-O 3.25Å; W170-Y190 AromaticContact CE3-CD1 3.98Å; W170-Y190 HydrophobicContact CE3-CD1 3.98Å; W170-Y190 AromaticContact CE3-CE1 3.79Å; W170-Y190 HydrophobicContact CE3-CE1 3.79Å; W170-Y190 HydrophobicContact CZ3-CD1 4.03Å; W170-Y190 AromaticContact CZ3-CE1 3.77Å; W170-Y190 HydrophobicContact CZ3-CE1 3.77Å
171F91.6Very high92.9Very high65 Ų6554.9 Ų54.929%0.28530%0.301SS..  trans-9616.7179.9-56.1-81.4000113.6R134 I161 V163 A169 Y190R134-F171 PolarHBondContact NH1-O 2.81Å; I161-F171 HydrophobicContact CD1-CB 3.71Å; I161-F171 HydrophobicContact CD1-CD1 3.67Å; I161-F171 HydrophobicContact CD1-CD2 3.3Å; I161-F171 HydrophobicContact CD1-CE1 4.04Å; I161-F171 HydrophobicContact CD1-CE2 3.7Å; I161-F171 HydrophobicContact CD1-CG 3.28Å; I161-F171 HydrophobicContact CD1-CZ 4.05Å; V163-F171 HydrophobicContact CG1-CE1 4.48Å; V163-F171 HydrophobicContact CG1-CE2 3.94Å; V163-F171 HydrophobicContact CG1-CZ 3.69Å; A169-F171 HydrophobicContact CB-CD2 4.38Å; A169-F171 HydrophobicContact CB-CE1 4.03Å; A169-F171 HydrophobicContact CB-CE2 3.81Å; A169-F171 HydrophobicContact CB-CZ 3.61Å; A169-F171 WeakPolarHBondContact O-CD2 3.42Å; A169-F171 WeakPolarHBondContact O-CE2 3.36Å; A169-F171 PolarHBondContact O-N 2.71Å; F171-Y190 HydrophobicContact CB-CE1 4.41Å; F171-Y190 HydrophobicContact CB-CE2 4.13Å; F171-Y190 WeakPolarHBondContact CB-OH 3.35Å; F171-Y190 HydrophobicContact CD2-CD2 4.18Å; F171-Y190 AromaticContact CD2-CE2 3.88Å; F171-Y190 HydrophobicContact CD2-CE2 3.88Å; F171-Y190 VanDerWaalsContact CE2-O 3.31Å; F171-Y190 WeakPolarHBondContact CE2-O 3.2Å; F171-Y190 HydrophobicContact CG-CE2 4.49Å
172G90.6Very high93.1Very high21 Ų2154.7 Ų54.722%0.21630%0.3CS..  trans84.4170.1-176.900000113.7W170 Y190W170-G172 VanDerWaalsContact C-N 3.33Å; G172-Y190 PolarHBondContact O-OH 2.91Å
173F91.2Very high93.2Very high90 Ų9051.1 Ų51.140%0.39528%0.283SS..SBendtrans-84112.2176.6-171.2-85.6000109.7W170 L180 V184 L185 Y222W170-F173 HydrophobicContact CH2-CB 4.44Å; W170-F173 HydrophobicContact CZ2-CB 4.41Å; F173-L180 HydrophobicContact CE1-CD1 4.05Å; F173-L180 HydrophobicContact CE2-CD1 4.13Å; F173-L180 HydrophobicContact CZ-CD1 3.5Å; F173-V184 HydrophobicContact CD2-CG1 4.22Å; F173-L185 HydrophobicContact CE2-CD2 3.73Å; F173-L185 HydrophobicContact CZ-CD2 4.06Å; F173-Y222 HydrophobicContact CZ-CE2 4.31Å
174A89.1Confident93.3Very high21 Ų2150.6 Ų50.617%0.17428%0.28CS..  trans-152.9146.5179.300000110.7L159 L180L159-A174 HydrophobicContact CD1-CB 4.42Å; L159-A174 HydrophobicContact CD2-CB 4.45Å; A174-L180 VanDerWaalsContact O-CD2 3.28Å; A174-L180 WeakPolarHBondContact O-CD2 3.41Å
175G91.1Very high93.5Very high21 Ų2144.6 Ų44.622%0.21625%0.253CS..SBendtrans127.4171.7179.900000112.1
176T89.9Confident93.8Very high40 Ų4046.4 Ų46.425%0.24524%0.244CC..  trans-86.7129.2-179.2-59.20000110.7D135 K137 G178 Y179 L180D135-T176 PolarHBondContact OD1-N 3.42Å; D135-T176 VanDerWaalsContact OD1-N 3.11Å; D135-T176 PolarHBondContact OD1-OG1 3.26Å; K137-T176 HydrophobicContact CD-CG2 4.39Å; K137-T176 VanDerWaalsContact CD-OG1 3.26Å; K137-T176 WeakPolarHBondContact CD-OG1 3.33Å; K137-T176 PolarHBondContact NZ-OG1 3.19Å; K137-T176 VanDerWaalsContact NZ-OG1 3.08Å; T176-G178 PolarHBondContact O-N 2.83Å; T176-G178 VanDerWaalsContact O-N 3.09Å; T176-Y179 HydrophobicContact CG2-CD2 3.87Å; T176-Y179 HydrophobicContact CG2-CE2 4.2Å; T176-Y179 PolarHBondContact O-N 3.25Å; T176-L180 PolarHBondContact O-N 3.28Å
177P90.1Very high94Very high41 Ų4147.6 Ų47.627%0.26624%0.243SC..G310 helixtrans-44.2-48.3-168.1-35.837.1000117.2Y179 L180 L221 Y222 I225P177-Y179 PolarHBondContact O-N 2.95Å; P177-L180 PolarHBondContact O-N 3.33Å; P177-L221 HydrophobicContact CB-CD2 4.06Å; P177-Y222 HydrophobicContact CB-CE1 3.91Å; P177-I225 VanDerWaalsContact O-CD1 3.31Å; P177-I225 WeakPolarHBondContact O-CD1 3.49Å
178G93.9Very high94.4Very high19 Ų1945.5 Ų45.520%0.19623%0.233CC..G310 helixtrans-72-8.6-178.400000115.6T176T176-G178 PolarHBondContact O-N 2.83Å; T176-G178 VanDerWaalsContact O-N 3.09Å
179Y98.2Very high94.5Very high26 Ų2643.4 Ų43.410%0.10223%0.232CC..G310 helixtrans-115.3-2.8-179.1-55.4-88.8000112.3K137 P138 T176 P177 V201 I202 I205K137-Y179 HydrophobicContact CB-CD1 4.42Å; K137-Y179 HydrophobicContact CB-CD2 3.96Å; K137-Y179 HydrophobicContact CB-CE1 4.36Å; K137-Y179 HydrophobicContact CB-CE2 3.87Å; K137-Y179 HydrophobicContact CB-CG 4.25Å; P138-Y179 WeakPolarHBondContact CD-OH 3.08Å; P138-Y179 VanDerWaalsContact CG-OH 3.31Å; P138-Y179 WeakPolarHBondContact CG-OH 3.42Å; T176-Y179 HydrophobicContact CG2-CD2 3.87Å; T176-Y179 HydrophobicContact CG2-CE2 4.2Å; T176-Y179 PolarHBondContact O-N 3.25Å; P177-Y179 PolarHBondContact O-N 2.95Å; Y179-V201 HydrophobicContact CD1-CB 3.99Å; Y179-V201 HydrophobicContact CD1-CG1 3.53Å; Y179-V201 HydrophobicContact CE1-CB 4.37Å; Y179-V201 HydrophobicContact CE1-CG1 3.57Å; Y179-V201 HydrophobicContact CG-CG1 4.42Å; Y179-I202 HydrophobicContact CD1-CG1 4.34Å; Y179-I202 HydrophobicContact CE1-CG1 4.09Å; Y179-I205 HydrophobicContact CE1-CD1 4.06Å
180L98.3Very high94.7Very high6 Ų641.6 Ų41.63%0.03122%0.216CC..  trans-64.8139176.7-71.1174.7000110.5F173 A174 T176 P177 V184 L185 W197 Y222 I225F173-L180 HydrophobicContact CE1-CD1 4.05Å; F173-L180 HydrophobicContact CE2-CD1 4.13Å; F173-L180 HydrophobicContact CZ-CD1 3.5Å; A174-L180 VanDerWaalsContact O-CD2 3.28Å; A174-L180 WeakPolarHBondContact O-CD2 3.41Å; T176-L180 PolarHBondContact O-N 3.28Å; P177-L180 PolarHBondContact O-N 3.33Å; L180-V184 HydrophobicContact CD2-CG1 4.13Å; L180-L185 HydrophobicContact CB-CD2 4.02Å; L180-L185 HydrophobicContact CB-CG 4.24Å; L180-L185 HydrophobicContact CD1-CD2 3.65Å; L180-L185 HydrophobicContact CG-CD2 4.47Å; L180-W197 PolarHBondContact O-NE1 3.3Å; L180-Y222 HydrophobicContact CD1-CE1 4.09Å; L180-I225 VanDerWaalsContact O-CG2 3.23Å; L180-I225 WeakPolarHBondContact O-CG2 3.17Å
181S98.6Very high94.8Very high3 Ų336.3 Ų36.32%0.02120%0.197CC..  trans-84.1157.8176.670.80000112.4E183 V184 L185 V194S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 VanDerWaalsContact CB-OE1 3.27Å; S181-E183 WeakPolarHBondContact CB-OE1 3.18Å; S181-E183 PolarHBondContact O-N 2.95Å; S181-E183 PolarHBondContact OG-OE1 3.24Å; S181-E183 PolarHBondContact OG-OE2 3.33Å; S181-V184 PolarHBondContact O-N 3.38Å; S181-V184 WeakPolarHBondContact OG-CG2 3.44Å; S181-L185 PolarHBondContact O-N 3.17Å; S181-V194 WeakPolarHBondContact OG-CG1 3.48Å
182P98.6Very high95.2Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-56.5-42.6-178.3-27.535.9000113.5V184 L185 R186 W197 I225 I254P182-V184 VanDerWaalsContact C-N 3.33Å; P182-V184 PolarHBondContact O-N 3.16Å; P182-L185 PolarHBondContact O-N 3.46Å; P182-R186 WeakPolarHBondContact O-CG 3.21Å; P182-R186 PolarHBondContact O-N 2.95Å; P182-W197 HydrophobicContact CG-CD2 4.39Å; P182-W197 HydrophobicContact CG-CE3 4.05Å; P182-W197 HydrophobicContact CG-CH2 3.48Å; P182-W197 VanDerWaalsContact CG-CH2 3.48Å; P182-W197 HydrophobicContact CG-CZ2 3.87Å; P182-W197 HydrophobicContact CG-CZ3 3.57Å; P182-I225 HydrophobicContact CG-CG2 4.32Å; P182-I225 WeakPolarHBondContact CG-O 3.19Å; P182-I254 HydrophobicContact CB-CG2 4.17Å; P182-I254 HydrophobicContact CG-CG2 4.32Å
183E98.4Very high95.6Very high1 Ų135.6 Ų35.61%0.00519%0.191CC..Hα-helixtrans-63.7-34.9-179.360.4-83.4-171.800112.8S181 R186 K187 E188 V194 P256 R259S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 VanDerWaalsContact CB-OE1 3.27Å; S181-E183 WeakPolarHBondContact CB-OE1 3.18Å; S181-E183 PolarHBondContact O-N 2.95Å; S181-E183 PolarHBondContact OG-OE1 3.24Å; S181-E183 PolarHBondContact OG-OE2 3.33Å; E183-R186 PolarHBondContact O-N 3.2Å; E183-K187 PolarHBondContact O-N 3.16Å; E183-E188 HydrophobicContact CB-CB 4.23Å; E183-E188 PolarHBondContact O-N 3.03Å; E183-V194 HydrophobicContact CG-CG1 4.31Å; E183-V194 WeakPolarHBondContact OE1-CG1 3.06Å; E183-P256 HydrophobicContact CB-CG 4.44Å; E183-P256 HydrophobicContact CG-CG 4.36Å; E183-R259 IonicContact OE1-CZ 2.64Å; E183-R259 IonicContact OE1-NH1 2.87Å; E183-R259 PolarHBondContact OE1-NH1 3.36Å; E183-R259 IonicContact OE1-NH2 3.69Å; E183-R259 IonicContact OE2-CZ 3.57Å; E183-R259 IonicContact OE2-NH1 2.72Å; E183-R259 IonicContact OE2-NH2 3.27Å; E183-R259 PolarHBondContact OE2-NH2 3.27Å
184V97.9Very high95.9Very high4 Ų431.8 Ų31.82%0.02418%0.175CC..Hα-helixtrans-67-43.7173.8177.60000110.5F173 L180 S181 P182 R186 K187 Y190 V194F173-V184 HydrophobicContact CD2-CG1 4.22Å; L180-V184 HydrophobicContact CD2-CG1 4.13Å; S181-V184 PolarHBondContact O-N 3.38Å; S181-V184 WeakPolarHBondContact OG-CG2 3.44Å; P182-V184 VanDerWaalsContact C-N 3.33Å; P182-V184 PolarHBondContact O-N 3.16Å; V184-R186 VanDerWaalsContact C-N 3.3Å; V184-R186 PolarHBondContact O-N 2.94Å; V184-K187 PolarHBondContact O-N 2.75Å; V184-K187 VanDerWaalsContact O-N 3.1Å; V184-Y190 HydrophobicContact CG2-CD1 3.84Å; V184-Y190 HydrophobicContact CG2-CD2 4.28Å; V184-Y190 HydrophobicContact CG2-CE1 3.99Å; V184-Y190 HydrophobicContact CG2-CE2 4.42Å; V184-Y190 HydrophobicContact CG2-CG 3.97Å; V184-V194 HydrophobicContact CG2-CG1 3.9Å
185L96Very high96.4Very high21 Ų2130.8 Ų30.811%0.1117%0.167CC..Hα-helixtrans-67.7-29178.3-63.6-176000113.2F173 L180 S181 P182 Y222 I225 K226F173-L185 HydrophobicContact CE2-CD2 3.73Å; F173-L185 HydrophobicContact CZ-CD2 4.06Å; L180-L185 HydrophobicContact CB-CD2 4.02Å; L180-L185 HydrophobicContact CB-CG 4.24Å; L180-L185 HydrophobicContact CD1-CD2 3.65Å; L180-L185 HydrophobicContact CG-CD2 4.47Å; S181-L185 PolarHBondContact O-N 3.17Å; P182-L185 PolarHBondContact O-N 3.46Å; L185-Y222 HydrophobicContact CD1-CD1 3.83Å; L185-Y222 HydrophobicContact CD1-CG 4.05Å; L185-Y222 HydrophobicContact CD2-CD1 3.73Å; L185-Y222 HydrophobicContact CD2-CD2 4.25Å; L185-Y222 HydrophobicContact CD2-CE1 3.87Å; L185-Y222 HydrophobicContact CD2-CE2 4.38Å; L185-Y222 HydrophobicContact CD2-CG 3.93Å; L185-Y222 HydrophobicContact CG-CD1 4.47Å; L185-I225 HydrophobicContact CD1-CB 3.72Å; L185-I225 HydrophobicContact CD1-CD1 4.19Å; L185-I225 HydrophobicContact CD1-CG2 3.48Å; L185-I225 VanDerWaalsContact CD1-CG2 3.48Å; L185-K226 HydrophobicContact CB-CD 4.05Å; L185-K226 HydrophobicContact CB-CG 3.81Å; L185-K226 HydrophobicContact CD1-CG 4.11Å
186R96.4Very high96.8Very high87 Ų8730 Ų3033%0.32816%0.157SC..THydrogen-bonded Turntrans-81.2-3.2173.5-69.4-173.8-158.5110.72.5113.5P182 E183 V184 E188 K226P182-R186 WeakPolarHBondContact O-CG 3.21Å; P182-R186 PolarHBondContact O-N 2.95Å; E183-R186 PolarHBondContact O-N 3.2Å; V184-R186 VanDerWaalsContact C-N 3.3Å; V184-R186 PolarHBondContact O-N 2.94Å; R186-E188 HydrophobicContact CB-CG 3.82Å; R186-E188 VanDerWaalsContact CD-OE1 3.25Å; R186-E188 WeakPolarHBondContact CD-OE1 3.41Å; R186-E188 IonicContact NH1-OE2 3.91Å; R186-E188 PolarHBondContact O-N 3.43Å; R186-K226 HydrophobicContact CG-CD 4.05Å; R186-K226 HydrophobicContact CG-CG 4.25Å; R186-K226 PolarHBondContact NH2-O 2.64Å
187K94.6Very high97.2Very high159 Ų15928 Ų2869%0.69115%0.146SC*.THydrogen-bonded Turntrans60.933-175.9-52.3-178.2179.9-1770113.3W170 E183 V184W170-K187 HydrophobicContact CH2-CB 3.9Å; W170-K187 HydrophobicContact CH2-CG 3.98Å; W170-K187 HydrophobicContact CZ2-CB 4.25Å; W170-K187 HydrophobicContact CZ2-CG 4.29Å; W170-K187 HydrophobicContact CZ3-CB 4.14Å; E183-K187 PolarHBondContact O-N 3.16Å; V184-K187 PolarHBondContact O-N 2.75Å; V184-K187 VanDerWaalsContact O-N 3.1Å
188E95.9Very high97.6Very high85 Ų8526.3 Ų26.340%0.39713%0.134SC..  trans-87.4159.5178.1-67.8166.2177.100110.4W170 E183 R186 Y190W170-E188 VanDerWaalsContact CE3-O 3.25Å; E183-E188 HydrophobicContact CB-CB 4.23Å; E183-E188 PolarHBondContact O-N 3.03Å; R186-E188 HydrophobicContact CB-CG 3.82Å; R186-E188 VanDerWaalsContact CD-OE1 3.25Å; R186-E188 WeakPolarHBondContact CD-OE1 3.41Å; R186-E188 IonicContact NH1-OE2 3.91Å; R186-E188 PolarHBondContact O-N 3.43Å; E188-Y190 WeakPolarHBondContact O-CD1 3.23Å; E188-Y190 PolarHBondContact O-N 2.97Å
189A95.6Very high97.9Very high47 Ų4725.4 Ų25.439%0.38813%0.125SC..  trans-59.7138.4169.400000109.8Q168Q168-A189 HydrophobicContact CB-CB 4.11Å; Q168-A189 PolarHBondContact OE1-O 2.87Å
190Y97.9Very high97.9Very high2 Ų224.1 Ų24.11%0.00812%0.12CC..BIsolated β-bridgetrans-141173.3-177.266.6-98.1000111.5R134 I161 Q168 A169 W170 F171 G172 V184 E188 V194R134-Y190 HydrophobicContact CG-CE2 4.47Å; R134-Y190 PolarHBondContact NH1-OH 2.83Å; I161-Y190 HydrophobicContact CD1-CE2 4.44Å; Q168-Y190 WeakPolarHBondContact CA-O 3.47Å; A169-Y190 PolarHBondContact N-O 2.73Å; A169-Y190 PolarHBondContact O-N 2.93Å; W170-Y190 AromaticContact CE3-CD1 3.98Å; W170-Y190 HydrophobicContact CE3-CD1 3.98Å; W170-Y190 AromaticContact CE3-CE1 3.79Å; W170-Y190 HydrophobicContact CE3-CE1 3.79Å; W170-Y190 HydrophobicContact CZ3-CD1 4.03Å; W170-Y190 AromaticContact CZ3-CE1 3.77Å; W170-Y190 HydrophobicContact CZ3-CE1 3.77Å; F171-Y190 HydrophobicContact CB-CE1 4.41Å; F171-Y190 HydrophobicContact CB-CE2 4.13Å; F171-Y190 WeakPolarHBondContact CB-OH 3.35Å; F171-Y190 HydrophobicContact CD2-CD2 4.18Å; F171-Y190 AromaticContact CD2-CE2 3.88Å; F171-Y190 HydrophobicContact CD2-CE2 3.88Å; F171-Y190 VanDerWaalsContact CE2-O 3.31Å; F171-Y190 WeakPolarHBondContact CE2-O 3.2Å; F171-Y190 HydrophobicContact CG-CE2 4.49Å; G172-Y190 PolarHBondContact O-OH 2.91Å; V184-Y190 HydrophobicContact CG2-CD1 3.84Å; V184-Y190 HydrophobicContact CG2-CD2 4.28Å; V184-Y190 HydrophobicContact CG2-CE1 3.99Å; V184-Y190 HydrophobicContact CG2-CE2 4.42Å; V184-Y190 HydrophobicContact CG2-CG 3.97Å; E188-Y190 WeakPolarHBondContact O-CD1 3.23Å; E188-Y190 PolarHBondContact O-N 2.97Å; Y190-V194 HydrophobicContact CD2-CG1 3.59Å; Y190-V194 HydrophobicContact CD2-CG2 4.45Å; Y190-V194 HydrophobicContact CE2-CG1 4.44Å; Y190-V194 HydrophobicContact CG-CG1 3.92Å
191G97.8Very high97.9Very high4 Ų423.9 Ų23.94%0.04112%0.119CC..  trans-163.7-143.6179.700000111.3P193 V194G191-P193 VanDerWaalsContact C-N 3.29Å; G191-P193 WeakPolarHBondContact O-CD 3.33Å; G191-P193 VanDerWaalsContact O-N 3.08Å; G191-V194 WeakPolarHBondContact O-CG1 3.49Å; G191-V194 WeakPolarHBondContact O-CG2 3.26Å; G191-V194 PolarHBondContact O-N 2.8Å
192K98.6Very high97.9Very high41 Ų4123.8 Ų23.818%0.17812%0.118CC..THydrogen-bonded Turntrans-45.1-37.6-179.4-62.5168.2-173.5170.10115.9H127 V132 V163 G165 D166 V194 D195H127-K192 HydrophobicContact CB-CD 3.96Å; H127-K192 HydrophobicContact CB-CG 4.23Å; H127-K192 PolarHBondContact CE1-O 3.39Å; H127-K192 PolarHBondContact NE2-O 2.93Å; H127-K192 WeakPolarHBondContact O-CE 3.39Å; H127-K192 PolarHBondContact O-NZ 2.97Å; V132-K192 HydrophobicContact CG2-CG 4Å; V163-K192 HydrophobicContact CG2-CG 4.38Å; G165-K192 VanDerWaalsContact O-CE 3.24Å; G165-K192 WeakPolarHBondContact O-CE 3.27Å; G165-K192 PolarHBondContact O-NZ 3.49Å; D166-K192 IonicContact OD1-NZ 3.91Å; D166-K192 PolarHBondContact OD1-NZ 2.87Å; K192-V194 PolarHBondContact O-N 3.44Å; K192-V194 VanDerWaalsContact O-N 3.08Å; K192-D195 PolarHBondContact O-N 3.31Å
193P98.8Very high97.9Very high29 Ų2923.8 Ų23.819%0.18812%0.118CC..Hα-helixtrans-60.3-20.5-177.6-27.837.4000115.8G191 D195 I196 W197 P256 R259G191-P193 VanDerWaalsContact C-N 3.29Å; G191-P193 WeakPolarHBondContact O-CD 3.33Å; G191-P193 VanDerWaalsContact O-N 3.08Å; P193-D195 VanDerWaalsContact C-N 3.26Å; P193-D195 PolarHBondContact O-N 3.39Å; P193-I196 PolarHBondContact O-N 3.26Å; P193-W197 PolarHBondContact O-N 3.47Å; P193-P256 HydrophobicContact CB-CB 3.77Å; P193-P256 HydrophobicContact CG-CB 4.16Å; P193-R259 VanDerWaalsContact C-NH1 3.34Å; P193-R259 WeakPolarHBondContact O-CD 3.39Å; P193-R259 PolarHBondContact O-NH1 3.14Å
194V98.8Very high98Very high10 Ų1023.8 Ų23.86%0.06112%0.118CC..Hα-helixtrans-62.8-34.8178.5-53.10000111.8V132 R134 S181 E183 V184 Y190 G191 K192 I196 W197 A198V132-V194 HydrophobicContact CG1-CG2 3.53Å; R134-V194 HydrophobicContact CG-CG2 4.3Å; S181-V194 WeakPolarHBondContact OG-CG1 3.48Å; E183-V194 HydrophobicContact CG-CG1 4.31Å; E183-V194 WeakPolarHBondContact OE1-CG1 3.06Å; V184-V194 HydrophobicContact CG2-CG1 3.9Å; Y190-V194 HydrophobicContact CD2-CG1 3.59Å; Y190-V194 HydrophobicContact CD2-CG2 4.45Å; Y190-V194 HydrophobicContact CE2-CG1 4.44Å; Y190-V194 HydrophobicContact CG-CG1 3.92Å; G191-V194 WeakPolarHBondContact O-CG1 3.49Å; G191-V194 WeakPolarHBondContact O-CG2 3.26Å; G191-V194 PolarHBondContact O-N 2.8Å; K192-V194 PolarHBondContact O-N 3.44Å; K192-V194 VanDerWaalsContact O-N 3.08Å; V194-I196 VanDerWaalsContact C-N 3.3Å; V194-I196 PolarHBondContact O-N 3.08Å; V194-W197 WeakPolarHBondContact O-CB 3.42Å; V194-W197 PolarHBondContact O-N 3.1Å; V194-A198 PolarHBondContact O-N 3.06Å
195D98.9Very high98Very high1 Ų123.6 Ų23.61%0.00512%0.117CC..Hα-helixtrans-69.5-32.3178.3-69.5-21.6000111.1V123 H127 V132 H133 R134 L136 K192 P193 A198 C199V123-D195 HydrophobicContact CG1-CB 4.07Å; H127-D195 IonicContact CD2-OD2 3.68Å; H127-D195 IonicContact NE2-OD2 2.85Å; H127-D195 PolarHBondContact NE2-OD2 3.04Å; V132-D195 WeakPolarHBondContact CA-OD2 3.43Å; V132-D195 WeakPolarHBondContact CG1-OD2 3.49Å; H133-D195 PolarHBondContact N-OD1 2.79Å; H133-D195 PolarHBondContact N-OD2 3.29Å; R134-D195 PolarHBondContact N-OD1 2.94Å; L136-D195 HydrophobicContact CD1-CB 3.68Å; L136-D195 WeakPolarHBondContact CD1-O 3.25Å; K192-D195 PolarHBondContact O-N 3.31Å; P193-D195 VanDerWaalsContact C-N 3.26Å; P193-D195 PolarHBondContact O-N 3.39Å; D195-A198 PolarHBondContact O-N 3.05Å; D195-C199 PolarHBondContact O-N 2.89Å; D195-C199 PolarHBondContact O-SG 2.96Å
196I98.9Very high98Very high3 Ų322.6 Ų22.62%0.01511%0.112CC..Hα-helixtrans-71.8-36178.1-49.9-57.3000111.5V123 P193 V194 A198 C199 G200 M251 R259 I260 A262V123-I196 HydrophobicContact CG1-CD1 4.11Å; P193-I196 PolarHBondContact O-N 3.26Å; V194-I196 VanDerWaalsContact C-N 3.3Å; V194-I196 PolarHBondContact O-N 3.08Å; I196-A198 VanDerWaalsContact C-N 3.33Å; I196-A198 PolarHBondContact O-N 3.42Å; I196-C199 WeakPolarHBondContact O-CB 3.22Å; I196-C199 PolarHBondContact O-N 2.56Å; I196-G200 PolarHBondContact O-N 2.84Å; I196-M251 HydrophobicContact CG2-CB 4.17Å; I196-M251 HydrophobicContact CG2-CG 3.86Å; I196-R259 HydrophobicContact CB-CG 4.49Å; I196-R259 HydrophobicContact CG2-CG 4.3Å; I196-I260 HydrophobicContact CG2-CG2 3.96Å; I196-I260 VanDerWaalsContact CG2-O 3.29Å; I196-I260 WeakPolarHBondContact CG2-O 3.49Å; I196-A262 HydrophobicContact CD1-CB 3.74Å
197W98.9Very high98.1Very high0 Ų018.5 Ų18.50%010%0.096CC..Hα-helixtrans-58.1-48.7171.4177.5-87.8000110.9L180 P182 P193 V194 C199 G200 V201 F213 I225 L252L180-W197 PolarHBondContact O-NE1 3.3Å; P182-W197 HydrophobicContact CG-CD2 4.39Å; P182-W197 HydrophobicContact CG-CE3 4.05Å; P182-W197 HydrophobicContact CG-CH2 3.48Å; P182-W197 VanDerWaalsContact CG-CH2 3.48Å; P182-W197 HydrophobicContact CG-CZ2 3.87Å; P182-W197 HydrophobicContact CG-CZ3 3.57Å; P193-W197 PolarHBondContact O-N 3.47Å; V194-W197 WeakPolarHBondContact O-CB 3.42Å; V194-W197 PolarHBondContact O-N 3.1Å; W197-C199 VanDerWaalsContact C-N 3.3Å; W197-C199 PolarHBondContact O-N 3.34Å; W197-G200 WeakPolarHBondContact O-CA 3.48Å; W197-G200 PolarHBondContact O-N 3.06Å; W197-V201 PolarHBondContact O-N 2.91Å; W197-F213 HydrophobicContact CH2-CE2 4.15Å; W197-F213 AromaticContact CH2-CZ 3.84Å; W197-F213 HydrophobicContact CH2-CZ 3.84Å; W197-F213 HydrophobicContact CZ2-CD2 4.34Å; W197-F213 AromaticContact CZ2-CE2 3.39Å; W197-F213 HydrophobicContact CZ2-CE2 3.39Å; W197-F213 AromaticContact CZ2-CZ 3.53Å; W197-F213 HydrophobicContact CZ2-CZ 3.53Å; W197-I225 HydrophobicContact CZ2-CG2 3.82Å; W197-L252 HydrophobicContact CD2-CD2 3.95Å; W197-L252 HydrophobicContact CE3-CD2 4.11Å; W197-L252 HydrophobicContact CG-CD2 4.43Å; W197-L252 HydrophobicContact CH2-CD2 4.49Å; W197-L252 HydrophobicContact CZ2-CD2 4.33Å; W197-L252 HydrophobicContact CZ3-CB 4.23Å; W197-L252 HydrophobicContact CZ3-CD2 4.39Å; W197-L252 WeakPolarHBondContact CZ3-O 3.42Å
198A98.9Very high98.2Very high4 Ų411 Ų113%0.0336%0.064CC..Hα-helixtrans-61.2-37.8176.900000112.2L136 V194 D195 I196 G200 V201 I202L136-A198 HydrophobicContact CB-CB 3.69Å; L136-A198 HydrophobicContact CD1-CB 4.47Å; V194-A198 PolarHBondContact O-N 3.06Å; D195-A198 PolarHBondContact O-N 3.05Å; I196-A198 VanDerWaalsContact C-N 3.33Å; I196-A198 PolarHBondContact O-N 3.42Å; A198-G200 VanDerWaalsContact C-N 3.31Å; A198-G200 PolarHBondContact O-N 3.06Å; A198-V201 PolarHBondContact O-N 2.91Å; A198-I202 WeakPolarHBondContact O-CB 3.19Å; A198-I202 WeakPolarHBondContact O-CD1 3.29Å; A198-I202 VanDerWaalsContact O-CG1 3.26Å; A198-I202 WeakPolarHBondContact O-CG1 3.48Å; A198-I202 PolarHBondContact O-N 3.15Å
199C98.9Very high98Very high0 Ų07 Ų70%05%0.045CC..Hα-helixtrans-60.3-38.4171.6-67.40000112.5I116 L120 D195 I196 W197 I202 L203 M251I116-C199 HydrophobicContact CD1-CB 4.5Å; L120-C199 HydrophobicContact CD2-CB 4.46Å; D195-C199 PolarHBondContact O-N 2.89Å; D195-C199 PolarHBondContact O-SG 2.96Å; I196-C199 WeakPolarHBondContact O-CB 3.22Å; I196-C199 PolarHBondContact O-N 2.56Å; W197-C199 VanDerWaalsContact C-N 3.3Å; W197-C199 PolarHBondContact O-N 3.34Å; C199-I202 PolarHBondContact O-N 3.21Å; C199-L203 VanDerWaalsContact O-CB 3.31Å; C199-L203 WeakPolarHBondContact O-CB 3.25Å; C199-L203 PolarHBondContact O-N 3.4Å; C199-M251 HydrophobicContact CB-CE 4.49Å; C199-M251 HydrophobicContact CB-SD 4.08Å
200G98.9Very high97.6Very high0 Ų07.5 Ų7.50%04%0.037CC..Hα-helixtrans-63.4-42.7174.600000112.7I196 W197 A198 L203 Y204I196-G200 PolarHBondContact O-N 2.84Å; W197-G200 WeakPolarHBondContact O-CA 3.48Å; W197-G200 PolarHBondContact O-N 3.06Å; A198-G200 VanDerWaalsContact C-N 3.31Å; A198-G200 PolarHBondContact O-N 3.06Å; G200-L203 PolarHBondContact O-N 3.26Å; G200-Y204 WeakPolarHBondContact O-CB 3.07Å; G200-Y204 PolarHBondContact O-N 3.17Å
201V98.9Very high97.5Very high1 Ų19 Ų91%0.0065%0.047CC..Hα-helixtrans-62.1-46174177.30000110.7Y179 W197 A198 Y204 I205 P212 F213 L252Y179-V201 HydrophobicContact CD1-CB 3.99Å; Y179-V201 HydrophobicContact CD1-CG1 3.53Å; Y179-V201 HydrophobicContact CE1-CB 4.37Å; Y179-V201 HydrophobicContact CE1-CG1 3.57Å; Y179-V201 HydrophobicContact CG-CG1 4.42Å; W197-V201 PolarHBondContact O-N 2.91Å; A198-V201 PolarHBondContact O-N 2.91Å; V201-Y204 PolarHBondContact O-N 3.48Å; V201-I205 HydrophobicContact CG1-CD1 4.12Å; V201-I205 WeakPolarHBondContact O-CG1 3.48Å; V201-I205 PolarHBondContact O-N 3.43Å; V201-I205 VanDerWaalsContact O-N 3.14Å; V201-P212 HydrophobicContact CB-CG 4.33Å; V201-P212 HydrophobicContact CG1-CG 4.09Å; V201-P212 HydrophobicContact CG2-CG 4.16Å; V201-F213 HydrophobicContact CG2-CD2 4.31Å; V201-F213 HydrophobicContact CG2-CE2 4.18Å; V201-L252 HydrophobicContact CG2-CD2 3.94Å
202I98.8Very high97.6Very high0 Ų09.4 Ų9.40%05%0.049CC..Hα-helixtrans-61.8-45.9177.7-70.7160.8000110.9F98 I116 I119 L136 L141 Y179 A198 C199 Y204 I205 L206F98-I202 HydrophobicContact CE2-CG2 4.49Å; F98-I202 HydrophobicContact CZ-CG2 4.21Å; I116-I202 HydrophobicContact CD1-CG2 4.42Å; I119-I202 HydrophobicContact CD1-CG2 4.22Å; L136-I202 HydrophobicContact CB-CD1 4.07Å; L141-I202 HydrophobicContact CD1-CD1 4.17Å; L141-I202 HydrophobicContact CD1-CG2 3.97Å; Y179-I202 HydrophobicContact CD1-CG1 4.34Å; Y179-I202 HydrophobicContact CE1-CG1 4.09Å; A198-I202 WeakPolarHBondContact O-CB 3.19Å; A198-I202 WeakPolarHBondContact O-CD1 3.29Å; A198-I202 VanDerWaalsContact O-CG1 3.26Å; A198-I202 WeakPolarHBondContact O-CG1 3.48Å; A198-I202 PolarHBondContact O-N 3.15Å; C199-I202 PolarHBondContact O-N 3.21Å; I202-Y204 VanDerWaalsContact C-N 3.34Å; I202-Y204 PolarHBondContact O-N 3.47Å; I202-I205 PolarHBondContact O-N 2.99Å; I202-L206 HydrophobicContact CG2-CD1 4.02Å; I202-L206 HydrophobicContact CG2-CG 4.3Å; I202-L206 WeakPolarHBondContact O-CG 3.27Å; I202-L206 PolarHBondContact O-N 3.3Å
203L98.8Very high97.5Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-61.9-41.6179.1177.557.8000111.7I116 C199 G200 I205 L206 L207 L247 I248 M251 W270I116-L203 HydrophobicContact CB-CD1 4.26Å; I116-L203 HydrophobicContact CD1-CB 4.11Å; I116-L203 HydrophobicContact CG1-CB 4.32Å; I116-L203 HydrophobicContact CG1-CD1 4.31Å; I116-L203 HydrophobicContact CG2-CD1 4.33Å; C199-L203 VanDerWaalsContact O-CB 3.31Å; C199-L203 WeakPolarHBondContact O-CB 3.25Å; C199-L203 PolarHBondContact O-N 3.4Å; G200-L203 PolarHBondContact O-N 3.26Å; L203-I205 VanDerWaalsContact C-N 3.35Å; L203-I205 PolarHBondContact O-N 3.01Å; L203-L206 PolarHBondContact O-N 3.49Å; L203-L207 HydrophobicContact CD1-CD1 4.4Å; L203-L207 HydrophobicContact CD1-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CG 3.3Å; L203-L207 PolarHBondContact O-N 3.42Å; L203-L207 VanDerWaalsContact O-N 3.16Å; L203-L247 HydrophobicContact CD2-CB 4.38Å; L203-L247 HydrophobicContact CD2-CD2 3.83Å; L203-L247 HydrophobicContact CD2-CG 3.95Å; L203-I248 HydrophobicContact CB-CG1 4.37Å; L203-I248 HydrophobicContact CD2-CG1 3.69Å; L203-I248 HydrophobicContact CG-CD1 4.18Å; L203-I248 HydrophobicContact CG-CG1 3.81Å; L203-M251 HydrophobicContact CD2-SD 4.23Å; L203-W270 HydrophobicContact CD1-CH2 3.6Å; L203-W270 HydrophobicContact CD1-CZ3 3.56Å; L203-W270 HydrophobicContact CD2-CZ3 4.34Å
204Y98.8Very high97.1Very high2 Ų211.3 Ų11.31%0.0085%0.052CC..Hα-helixtrans-56.6-49.7173.9-169.2-71.8000110.8G200 V201 I202 L206 L207 V208 Y210 P212 Y230 D231 F232 W237 I248G200-Y204 WeakPolarHBondContact O-CB 3.07Å; G200-Y204 PolarHBondContact O-N 3.17Å; V201-Y204 PolarHBondContact O-N 3.48Å; I202-Y204 VanDerWaalsContact C-N 3.34Å; I202-Y204 PolarHBondContact O-N 3.47Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 3Å; Y204-L207 PolarHBondContact O-N 3.44Å; Y204-L207 VanDerWaalsContact O-N 3.14Å; Y204-V208 HydrophobicContact CD1-CG2 3.82Å; Y204-V208 HydrophobicContact CE1-CG2 3.56Å; Y204-V208 WeakPolarHBondContact O-CG2 3.4Å; Y204-V208 PolarHBondContact O-N 3.09Å; Y204-Y210 VanDerWaalsContact CD1-O 3.24Å; Y204-Y210 WeakPolarHBondContact CD1-O 3.48Å; Y204-Y210 AromaticContact CE1-CD2 3.87Å; Y204-Y210 HydrophobicContact CE1-CD2 3.87Å; Y204-Y210 AromaticContact CE1-CE2 3.59Å; Y204-Y210 HydrophobicContact CE1-CE2 3.59Å; Y204-Y210 WeakPolarHBondContact CE1-O 3.43Å; Y204-Y210 WeakPolarHBondContact OH-CE2 3.37Å; Y204-P212 HydrophobicContact CD1-CB 4Å; Y204-P212 HydrophobicContact CD1-CG 4.27Å; Y204-P212 HydrophobicContact CD2-CB 3.71Å; Y204-P212 HydrophobicContact CD2-CG 4.33Å; Y204-P212 HydrophobicContact CE1-CB 4.17Å; Y204-P212 HydrophobicContact CE2-CB 3.89Å; Y204-P212 HydrophobicContact CG-CB 3.77Å; Y204-P212 HydrophobicContact CG-CG 3.99Å; Y204-Y230 HydrophobicContact CE2-CD2 4.24Å; Y204-D231 WeakPolarHBondContact CE2-O 3.44Å; Y204-D231 PolarHBondContact OH-O 3.33Å; Y204-F232 HydrophobicContact CD2-CE1 4.16Å; Y204-F232 AromaticContact CE2-CD1 3.95Å; Y204-F232 HydrophobicContact CE2-CD1 3.95Å; Y204-F232 AromaticContact CE2-CE1 3.94Å; Y204-F232 HydrophobicContact CE2-CE1 3.94Å; Y204-W237 AromaticContact CD1-CZ2 3.82Å; Y204-W237 HydrophobicContact CD1-CZ2 3.82Å; Y204-W237 AromaticContact CD2-CH2 3.78Å; Y204-W237 HydrophobicContact CD2-CH2 3.78Å; Y204-W237 AromaticContact CD2-CZ2 3.53Å; Y204-W237 HydrophobicContact CD2-CZ2 3.53Å; Y204-W237 AromaticContact CE1-CZ2 3.6Å; Y204-W237 HydrophobicContact CE1-CZ2 3.6Å; Y204-W237 AromaticContact CE2-CE2 3.93Å; Y204-W237 AromaticContact CE2-CH2 3.92Å; Y204-W237 HydrophobicContact CE2-CH2 3.92Å; Y204-W237 AromaticContact CE2-CZ2 3.3Å; Y204-W237 HydrophobicContact CE2-CZ2 3.3Å; Y204-W237 HydrophobicContact CG-CH2 4.11Å; Y204-W237 AromaticContact CG-CZ2 3.79Å; Y204-W237 HydrophobicContact CG-CZ2 3.79Å; Y204-W237 AromaticContact CZ-CE2 3.72Å; Y204-W237 AromaticContact CZ-CZ2 3.33Å; Y204-W237 AromaticContact CZ-NE1 3.7Å; Y204-W237 PolarHBondContact OH-NE1 2.87Å; Y204-I248 HydrophobicContact CD2-CD1 4.32Å; Y204-I248 HydrophobicContact CD2-CG2 4.21Å
205I97.9Very high96.5Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-64.3-38.8179-57.7161.7000111.2F98 Y179 V201 I202 L203 L207 G209 P211 L290 F293F98-I205 HydrophobicContact CD1-CG2 4.41Å; F98-I205 HydrophobicContact CE1-CB 4.2Å; F98-I205 HydrophobicContact CE1-CG2 3.61Å; F98-I205 HydrophobicContact CZ-CG2 4.38Å; Y179-I205 HydrophobicContact CE1-CD1 4.06Å; V201-I205 HydrophobicContact CG1-CD1 4.12Å; V201-I205 WeakPolarHBondContact O-CG1 3.48Å; V201-I205 PolarHBondContact O-N 3.43Å; V201-I205 VanDerWaalsContact O-N 3.14Å; I202-I205 PolarHBondContact O-N 2.99Å; L203-I205 VanDerWaalsContact C-N 3.35Å; L203-I205 PolarHBondContact O-N 3.01Å; I205-L207 PolarHBondContact O-N 3.44Å; I205-G209 VanDerWaalsContact O-CA 3.22Å; I205-G209 WeakPolarHBondContact O-CA 3.49Å; I205-G209 PolarHBondContact O-N 3.3Å; I205-P211 HydrophobicContact CD1-CB 4.23Å; I205-P211 HydrophobicContact CG1-CB 4.22Å; I205-L290 HydrophobicContact CG2-CD1 3.73Å; I205-F293 HydrophobicContact CD1-CE2 4.39Å; I205-F293 HydrophobicContact CD1-CZ 4.01Å; I205-F293 HydrophobicContact CG2-CD1 4.24Å; I205-F293 HydrophobicContact CG2-CE1 4.07Å; I205-F293 HydrophobicContact CG2-CZ 4.27Å
206L97.8Very high95.4Very high0 Ų019.4 Ų19.40%09%0.09CC..Hα-helixtrans-58.9-32.7176.3-74.1172.5000111.9F98 I101 Y107 A112 C115 I202 L203 Y204F98-L206 HydrophobicContact CE1-CD2 3.94Å; F98-L206 HydrophobicContact CE1-CG 4.38Å; F98-L206 HydrophobicContact CE2-CD2 4.39Å; F98-L206 HydrophobicContact CZ-CD2 3.81Å; F98-L206 HydrophobicContact CZ-CG 4.08Å; I101-L206 HydrophobicContact CD1-CD2 3.49Å; I101-L206 VanDerWaalsContact CD1-CD2 3.49Å; Y107-L206 VanDerWaalsContact CE1-O 3.22Å; Y107-L206 WeakPolarHBondContact CE1-O 3.22Å; Y107-L206 PolarHBondContact OH-O 3.26Å; A112-L206 HydrophobicContact CB-CB 4.21Å; C115-L206 HydrophobicContact CB-CD1 4.28Å; I202-L206 HydrophobicContact CG2-CD1 4.02Å; I202-L206 HydrophobicContact CG2-CG 4.3Å; I202-L206 WeakPolarHBondContact O-CG 3.27Å; I202-L206 PolarHBondContact O-N 3.3Å; L203-L206 PolarHBondContact O-N 3.49Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 3Å
207L98Very high94.3Very high1 Ų122.6 Ų22.61%0.00511%0.107CC..Hα-helixtrans-84.1-35-176.8-66.7178.8000114.5E109 A112 L203 Y204 I205 W237 V240 A244 I248 W270 R283 T286E109-L207 HydrophobicContact CG-CD2 3.98Å; A112-L207 HydrophobicContact CB-CD2 3.8Å; L203-L207 HydrophobicContact CD1-CD1 4.4Å; L203-L207 HydrophobicContact CD1-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CG 3.3Å; L203-L207 PolarHBondContact O-N 3.42Å; L203-L207 VanDerWaalsContact O-N 3.16Å; Y204-L207 PolarHBondContact O-N 3.44Å; Y204-L207 VanDerWaalsContact O-N 3.14Å; I205-L207 PolarHBondContact O-N 3.44Å; L207-W237 HydrophobicContact CB-CH2 4.21Å; L207-W237 HydrophobicContact CD1-CH2 4.11Å; L207-W237 HydrophobicContact CD1-CZ3 4.05Å; L207-V240 HydrophobicContact CD1-CG1 4.07Å; L207-A244 HydrophobicContact CD1-CB 3.8Å; L207-I248 HydrophobicContact CD1-CD1 3.77Å; L207-W270 HydrophobicContact CD2-CH2 4.05Å; L207-W270 HydrophobicContact CD2-CZ2 3.84Å; L207-R283 PolarHBondContact O-NE 3.08Å; L207-T286 WeakPolarHBondContact O-CG2 3.07Å; L207-T286 PolarHBondContact O-OG1 3.41Å
208V95.3Very high93.5Very high1 Ų127.7 Ų27.71%0.00613%0.131CC..Hα-helixtrans-130.4-5.9-171.8-61.90000115.2Y204 Y210 E236 W237 V240 C289Y204-V208 HydrophobicContact CD1-CG2 3.82Å; Y204-V208 HydrophobicContact CE1-CG2 3.56Å; Y204-V208 WeakPolarHBondContact O-CG2 3.4Å; Y204-V208 PolarHBondContact O-N 3.09Å; V208-Y210 VanDerWaalsContact C-N 3.34Å; V208-Y210 HydrophobicContact CB-CD1 4.11Å; V208-Y210 HydrophobicContact CB-CE1 3.61Å; V208-Y210 HydrophobicContact CG2-CD1 3.85Å; V208-Y210 HydrophobicContact CG2-CD2 4.25Å; V208-Y210 HydrophobicContact CG2-CE1 3.52Å; V208-Y210 HydrophobicContact CG2-CE2 3.96Å; V208-Y210 HydrophobicContact CG2-CG 4.2Å; V208-Y210 VanDerWaalsContact O-CD1 3.31Å; V208-Y210 WeakPolarHBondContact O-CD1 3.42Å; V208-Y210 PolarHBondContact O-N 2.86Å; V208-E236 HydrophobicContact CG1-CB 4.37Å; V208-W237 HydrophobicContact CB-CZ2 4.19Å; V208-W237 HydrophobicContact CG1-CD2 3.89Å; V208-W237 HydrophobicContact CG1-CG 4.26Å; V208-W237 HydrophobicContact CG1-CH2 4.29Å; V208-W237 HydrophobicContact CG1-CZ2 3.61Å; V208-W237 HydrophobicContact CG2-CZ2 3.49Å; V208-W237 VanDerWaalsContact CG2-CZ2 3.49Å; V208-V240 HydrophobicContact CG1-CG2 4.49Å; V208-C289 WeakPolarHBondContact O-CB 3.11Å
209G91.9Very high92.6Very high0 Ų032.7 Ų32.70%015%0.153CC..SBendtrans81.35.2170.900000115.8I205 C289 F293I205-G209 VanDerWaalsContact O-CA 3.22Å; I205-G209 WeakPolarHBondContact O-CA 3.49Å; I205-G209 PolarHBondContact O-N 3.3Å; G209-C289 CarbonylContact O-C 3.29Å; G209-F293 VanDerWaalsContact O-CB 3.31Å; G209-F293 WeakPolarHBondContact O-CB 3.34Å
210Y89.1Confident91.9Very high59 Ų5937.5 Ų37.523%0.23118%0.175CC..SBendtrans-134.3155174.260-95.8000111.2Y204 V208 P233 W237Y204-Y210 VanDerWaalsContact CD1-O 3.24Å; Y204-Y210 WeakPolarHBondContact CD1-O 3.48Å; Y204-Y210 AromaticContact CE1-CD2 3.87Å; Y204-Y210 HydrophobicContact CE1-CD2 3.87Å; Y204-Y210 AromaticContact CE1-CE2 3.59Å; Y204-Y210 HydrophobicContact CE1-CE2 3.59Å; Y204-Y210 WeakPolarHBondContact CE1-O 3.43Å; Y204-Y210 WeakPolarHBondContact OH-CE2 3.37Å; V208-Y210 VanDerWaalsContact C-N 3.34Å; V208-Y210 HydrophobicContact CB-CD1 4.11Å; V208-Y210 HydrophobicContact CB-CE1 3.61Å; V208-Y210 HydrophobicContact CG2-CD1 3.85Å; V208-Y210 HydrophobicContact CG2-CD2 4.25Å; V208-Y210 HydrophobicContact CG2-CE1 3.52Å; V208-Y210 HydrophobicContact CG2-CE2 3.96Å; V208-Y210 HydrophobicContact CG2-CG 4.2Å; V208-Y210 VanDerWaalsContact O-CD1 3.31Å; V208-Y210 WeakPolarHBondContact O-CD1 3.42Å; V208-Y210 PolarHBondContact O-N 2.86Å; Y210-P233 VanDerWaalsContact OH-CG 3.24Å; Y210-P233 WeakPolarHBondContact OH-CG 3.23Å; Y210-W237 AromaticContact CZ-NE1 3.82Å; Y210-W237 VanDerWaalsContact OH-CD1 3.24Å; Y210-W237 PolarHBondContact OH-NE1 3.18Å
211P95.8Very high91.6Very high32 Ų3238.2 Ų38.221%0.20818%0.178CC..  trans-77.1150.6-176.531.6-36.7000113I205 F213 W214 F293I205-P211 HydrophobicContact CD1-CB 4.23Å; I205-P211 HydrophobicContact CG1-CB 4.22Å; P211-F213 VanDerWaalsContact C-N 3.3Å; P211-F213 PolarHBondContact O-N 3.49Å; P211-W214 HydrophobicContact CG-CB 4.06Å; P211-W214 HydrophobicContact CG-CG 4.48Å; P211-F293 HydrophobicContact CG-CE2 4.47Å
212P98.1Very high91.4Very high13 Ų1339.8 Ų39.88%0.08418%0.184CC..SBendtrans-70.6-24.117726.5-32.9000113.8V201 Y204 Y230 L252V201-P212 HydrophobicContact CB-CG 4.33Å; V201-P212 HydrophobicContact CG1-CG 4.09Å; V201-P212 HydrophobicContact CG2-CG 4.16Å; Y204-P212 HydrophobicContact CD1-CB 4Å; Y204-P212 HydrophobicContact CD1-CG 4.27Å; Y204-P212 HydrophobicContact CD2-CB 3.71Å; Y204-P212 HydrophobicContact CD2-CG 4.33Å; Y204-P212 HydrophobicContact CE1-CB 4.17Å; Y204-P212 HydrophobicContact CE2-CB 3.89Å; Y204-P212 HydrophobicContact CG-CB 3.77Å; Y204-P212 HydrophobicContact CG-CG 3.99Å; P212-Y230 HydrophobicContact CB-CG 4.35Å; P212-L252 HydrophobicContact CB-CD1 4.39Å; P212-L252 HydrophobicContact CG-CD1 4.36Å
213F97.2Very high91.2Very high3 Ų344.5 Ų44.51%0.01321%0.206CC..SBendtrans-126.5124.7178.6-47.9-71.2000108.8W197 V201 P211 L221 Q224 I225 Y230 L252W197-F213 HydrophobicContact CH2-CE2 4.15Å; W197-F213 AromaticContact CH2-CZ 3.84Å; W197-F213 HydrophobicContact CH2-CZ 3.84Å; W197-F213 HydrophobicContact CZ2-CD2 4.34Å; W197-F213 AromaticContact CZ2-CE2 3.39Å; W197-F213 HydrophobicContact CZ2-CE2 3.39Å; W197-F213 AromaticContact CZ2-CZ 3.53Å; W197-F213 HydrophobicContact CZ2-CZ 3.53Å; V201-F213 HydrophobicContact CG2-CD2 4.31Å; V201-F213 HydrophobicContact CG2-CE2 4.18Å; P211-F213 VanDerWaalsContact C-N 3.3Å; P211-F213 PolarHBondContact O-N 3.49Å; F213-L221 HydrophobicContact CB-CD1 3.76Å; F213-Q224 HydrophobicContact CD1-CB 4.24Å; F213-I225 HydrophobicContact CB-CD1 4.5Å; F213-I225 HydrophobicContact CB-CG1 3.8Å; F213-I225 HydrophobicContact CD1-CG1 4.26Å; F213-I225 HydrophobicContact CD2-CG1 3.92Å; F213-I225 HydrophobicContact CG-CG1 3.72Å; F213-Y230 AromaticContact CE1-CD1 3.85Å; F213-Y230 HydrophobicContact CE1-CD1 3.85Å; F213-Y230 HydrophobicContact CE1-CG 4.27Å; F213-Y230 AromaticContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CG 4.24Å; F213-L252 HydrophobicContact CE2-CD1 4.39Å; F213-L252 HydrophobicContact CE2-CD2 4.35Å; F213-L252 HydrophobicContact CZ-CD1 4.4Å
214W89.7Confident91.1Very high107 Ų10746.9 Ų46.941%0.40522%0.217SC..  trans-157.3135.8178.2-172.669.7000111.5P211 E216 Q224 R296P211-W214 HydrophobicContact CG-CB 4.06Å; P211-W214 HydrophobicContact CG-CG 4.48Å; W214-E216 HydrophobicContact CH2-CG 3.51Å; W214-E216 HydrophobicContact CZ2-CG 3.62Å; W214-Q224 PolarHBondContact O-NE2 3.25Å; W214-Q224 VanDerWaalsContact O-NE2 3.16Å; W214-Q224 PolarHBondContact O-OE1 3.04Å; W214-R296 VanDerWaalsContact CZ2-CZ 3.45Å; W214-R296 VanDerWaalsContact CZ2-NH1 3.27Å
215D86.7Confident91.1Very high44 Ų4446.8 Ų46.824%0.23522%0.217CC..  trans-154.1156.1168.2-155.5-63.8000108.2D217 K220 L221 Q224D215-D217 VanDerWaalsContact C-N 3.33Å; D215-D217 WeakPolarHBondContact OD1-CB 3.29Å; D215-D217 PolarHBondContact OD1-N 3.12Å; D215-K220 HydrophobicContact CB-CB 4.03Å; D215-K220 VanDerWaalsContact OD2-CB 3.27Å; D215-K220 WeakPolarHBondContact OD2-CB 3.3Å; D215-K220 WeakPolarHBondContact OD2-CD 3.34Å; D215-L221 HydrophobicContact CB-CB 4.1Å; D215-Q224 PolarHBondContact OD2-NE2 3.29Å
216E76.4Confident91.1Very high137 Ų13750.2 Ų50.264%0.6423%0.232SC*.SBendtrans-72.8-34.4169.8-61.7-164.6150.900110.7W214 Q218 K404W214-E216 HydrophobicContact CH2-CG 3.51Å; W214-E216 HydrophobicContact CZ2-CG 3.62Å; E216-Q218 PolarHBondContact O-N 3.12Å; E216-K404 IonicContact OE2-NZ 3.91Å
217D76.7Confident91.1Very high70 Ų7053.2 Ų53.237%0.37426%0.257SS..SBendtrans-83.5112.3174.3-176.5-21.2000109.8D215 H219 K220 L221D215-D217 VanDerWaalsContact C-N 3.33Å; D215-D217 WeakPolarHBondContact OD1-CB 3.29Å; D215-D217 PolarHBondContact OD1-N 3.12Å; D217-H219 PolarHBondContact O-N 3.46Å; D217-H219 WeakPolarHBondContact OD1-CA 3.47Å; D217-H219 WeakPolarHBondContact OD1-CB 3.43Å; D217-H219 PolarHBondContact OD1-N 3Å; D217-K220 HydrophobicContact CB-CB 4.12Å; D217-K220 HydrophobicContact CB-CD 3.95Å; D217-K220 HydrophobicContact CB-CG 3.94Å; D217-K220 PolarHBondContact O-N 3.26Å; D217-K220 VanDerWaalsContact O-N 3.08Å; D217-L221 PolarHBondContact O-N 2.92Å
218Q81.6Confident91.1Very high108 Ų10854 Ų5451%0.50527%0.265SS..Hα-helixtrans-58.1-31.5179.4-167.2-180-81.400112.7E216 Y222E216-Q218 PolarHBondContact O-N 3.12Å; Q218-Y222 VanDerWaalsContact CD-OH 3.3Å; Q218-Y222 HydrophobicContact CG-CD1 4.5Å; Q218-Y222 HydrophobicContact CG-CD2 4.39Å; Q218-Y222 HydrophobicContact CG-CE1 3.94Å; Q218-Y222 HydrophobicContact CG-CE2 3.8Å; Q218-Y222 PolarHBondContact NE2-OH 2.8Å; Q218-Y222 VanDerWaalsContact NE2-OH 3.11Å; Q218-Y222 VanDerWaalsContact O-CG 3.22Å; Q218-Y222 PolarHBondContact O-N 3.39Å
219H79.8Confident91.2Very high108 Ų10856.5 Ų56.550%0.529%0.286SS..Hα-helixtrans-67.5-43.4176.9-171.679.9000111.4D217 Y222 Q223D217-H219 PolarHBondContact O-N 3.46Å; D217-H219 WeakPolarHBondContact OD1-CA 3.47Å; D217-H219 WeakPolarHBondContact OD1-CB 3.43Å; D217-H219 PolarHBondContact OD1-N 3Å; H219-Y222 PolarHBondContact O-N 3.1Å; H219-Q223 PolarHBondContact CD2-NE2 3.41Å; H219-Q223 PolarHBondContact NE2-NE2 2.87Å; H219-Q223 WeakPolarHBondContact O-CG 3.48Å; H219-Q223 PolarHBondContact O-N 3.37Å
220K84.8Confident91.5Very high102 Ų10258.8 Ų58.844%0.44330%0.295SS..Hα-helixtrans-65.5-41.8175.5-66.7-177.4-169.9171.40111.6D215 D217 Y222 Q223 Q224D215-K220 HydrophobicContact CB-CB 4.03Å; D215-K220 VanDerWaalsContact OD2-CB 3.27Å; D215-K220 WeakPolarHBondContact OD2-CB 3.3Å; D215-K220 WeakPolarHBondContact OD2-CD 3.34Å; D217-K220 HydrophobicContact CB-CB 4.12Å; D217-K220 HydrophobicContact CB-CD 3.95Å; D217-K220 HydrophobicContact CB-CG 3.94Å; D217-K220 PolarHBondContact O-N 3.26Å; D217-K220 VanDerWaalsContact O-N 3.08Å; K220-Y222 VanDerWaalsContact C-N 3.3Å; K220-Y222 PolarHBondContact O-N 3.3Å; K220-Q223 WeakPolarHBondContact O-CA 3.35Å; K220-Q223 WeakPolarHBondContact O-CB 3.35Å; K220-Q223 PolarHBondContact O-N 3.09Å; K220-Q224 WeakPolarHBondContact O-CG 2.99Å; K220-Q224 PolarHBondContact O-N 2.88Å
221L92.2Very high91.9Very high15 Ų1560.9 Ų60.98%0.07931%0.31CS..Hα-helixtrans-53.7-48.4171.6173.162000111.1P177 F213 D215 D217 Q223 Q224 I225P177-L221 HydrophobicContact CB-CD2 4.06Å; F213-L221 HydrophobicContact CB-CD1 3.76Å; D215-L221 HydrophobicContact CB-CB 4.1Å; D217-L221 PolarHBondContact O-N 2.92Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 3.31Å; L221-Q224 PolarHBondContact O-N 3.47Å; L221-I225 HydrophobicContact CD1-CD1 3.98Å; L221-I225 HydrophobicContact CD1-CG1 4.32Å; L221-I225 HydrophobicContact CG-CD1 4Å; L221-I225 WeakPolarHBondContact O-CG1 3.5Å; L221-I225 PolarHBondContact O-N 2.99Å
222Y95.1Very high92Very high34 Ų3461.8 Ų61.813%0.13331%0.311CS..Hα-helixtrans-64.6-31.6177.5-68-13.6000113.2F173 P177 L180 L185 Q218 H219 K220 I225 K226F173-Y222 HydrophobicContact CZ-CE2 4.31Å; P177-Y222 HydrophobicContact CB-CE1 3.91Å; L180-Y222 HydrophobicContact CD1-CE1 4.09Å; L185-Y222 HydrophobicContact CD1-CD1 3.83Å; L185-Y222 HydrophobicContact CD1-CG 4.05Å; L185-Y222 HydrophobicContact CD2-CD1 3.73Å; L185-Y222 HydrophobicContact CD2-CD2 4.25Å; L185-Y222 HydrophobicContact CD2-CE1 3.87Å; L185-Y222 HydrophobicContact CD2-CE2 4.38Å; L185-Y222 HydrophobicContact CD2-CG 3.93Å; L185-Y222 HydrophobicContact CG-CD1 4.47Å; Q218-Y222 VanDerWaalsContact CD-OH 3.3Å; Q218-Y222 HydrophobicContact CG-CD1 4.5Å; Q218-Y222 HydrophobicContact CG-CD2 4.39Å; Q218-Y222 HydrophobicContact CG-CE1 3.94Å; Q218-Y222 HydrophobicContact CG-CE2 3.8Å; Q218-Y222 PolarHBondContact NE2-OH 2.8Å; Q218-Y222 VanDerWaalsContact NE2-OH 3.11Å; Q218-Y222 VanDerWaalsContact O-CG 3.22Å; Q218-Y222 PolarHBondContact O-N 3.39Å; H219-Y222 PolarHBondContact O-N 3.1Å; K220-Y222 VanDerWaalsContact C-N 3.3Å; K220-Y222 PolarHBondContact O-N 3.3Å; Y222-I225 HydrophobicContact CD1-CD1 4.45Å; Y222-K226 WeakPolarHBondContact O-CB 3.28Å; Y222-K226 WeakPolarHBondContact O-CE 3.41Å; Y222-K226 VanDerWaalsContact O-CG 3.27Å; Y222-K226 WeakPolarHBondContact O-CG 2.97Å; Y222-K226 PolarHBondContact O-N 2.88Å
223Q94.1Very high91.9Very high98 Ų9863.1 Ų63.146%0.45832%0.319SS..Hα-helixtrans-67.1-45.4172.8-70.1178.5-1.900111.6H219 K220 L221 I225 K226 A227H219-Q223 PolarHBondContact CD2-NE2 3.41Å; H219-Q223 PolarHBondContact NE2-NE2 2.87Å; H219-Q223 WeakPolarHBondContact O-CG 3.48Å; H219-Q223 PolarHBondContact O-N 3.37Å; K220-Q223 WeakPolarHBondContact O-CA 3.35Å; K220-Q223 WeakPolarHBondContact O-CB 3.35Å; K220-Q223 PolarHBondContact O-N 3.09Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 3.31Å; Q223-I225 PolarHBondContact O-N 3.49Å; Q223-K226 PolarHBondContact O-N 3.02Å; Q223-A227 WeakPolarHBondContact O-CB 3.45Å; Q223-A227 PolarHBondContact O-N 2.87Å
224Q96.8Very high91.7Very high51 Ų5166.8 Ų66.824%0.23835%0.345CS..Hα-helixtrans-57.3-49.1176.1-66.2173.515.300111.3F213 W214 D215 K220 L221 K226 A227 G228 A229F213-Q224 HydrophobicContact CD1-CB 4.24Å; W214-Q224 PolarHBondContact O-NE2 3.25Å; W214-Q224 VanDerWaalsContact O-NE2 3.16Å; W214-Q224 PolarHBondContact O-OE1 3.04Å; D215-Q224 PolarHBondContact OD2-NE2 3.29Å; K220-Q224 WeakPolarHBondContact O-CG 2.99Å; K220-Q224 PolarHBondContact O-N 2.88Å; L221-Q224 PolarHBondContact O-N 3.47Å; Q224-K226 PolarHBondContact O-N 2.8Å; Q224-A227 CarbonylContact O-C 3.5Å; Q224-A227 PolarHBondContact O-N 2.8Å; Q224-G228 PolarHBondContact O-N 3.36Å; Q224-A229 PolarHBondContact O-N 2.88Å
225I98.4Very high91.9Very high0 Ų065.3 Ų65.30%035%0.35CS..Hα-helixtrans-59.5-50.2178.3-67168.9000110.6P177 L180 P182 L185 W197 F213 L221 Y222 Q223 A227 G228P177-I225 VanDerWaalsContact O-CD1 3.31Å; P177-I225 WeakPolarHBondContact O-CD1 3.49Å; L180-I225 VanDerWaalsContact O-CG2 3.23Å; L180-I225 WeakPolarHBondContact O-CG2 3.17Å; P182-I225 HydrophobicContact CG-CG2 4.32Å; P182-I225 WeakPolarHBondContact CG-O 3.19Å; L185-I225 HydrophobicContact CD1-CB 3.72Å; L185-I225 HydrophobicContact CD1-CD1 4.19Å; L185-I225 HydrophobicContact CD1-CG2 3.48Å; L185-I225 VanDerWaalsContact CD1-CG2 3.48Å; W197-I225 HydrophobicContact CZ2-CG2 3.82Å; F213-I225 HydrophobicContact CB-CD1 4.5Å; F213-I225 HydrophobicContact CB-CG1 3.8Å; F213-I225 HydrophobicContact CD1-CG1 4.26Å; F213-I225 HydrophobicContact CD2-CG1 3.92Å; F213-I225 HydrophobicContact CG-CG1 3.72Å; L221-I225 HydrophobicContact CD1-CD1 3.98Å; L221-I225 HydrophobicContact CD1-CG1 4.32Å; L221-I225 HydrophobicContact CG-CD1 4Å; L221-I225 WeakPolarHBondContact O-CG1 3.5Å; L221-I225 PolarHBondContact O-N 2.99Å; Y222-I225 HydrophobicContact CD1-CD1 4.45Å; Q223-I225 PolarHBondContact O-N 3.49Å; I225-A227 PolarHBondContact O-N 3.03Å; I225-G228 PolarHBondContact O-N 2.9Å
226K97.9Very high92.2Very high71 Ų7165.9 Ų65.931%0.30935%0.351SS..Hα-helixtrans-61.8-30.1178.9-76.7-178.2-63.6179.80112.9L185 R186 Y222 Q223 Q224 G228L185-K226 HydrophobicContact CB-CD 4.05Å; L185-K226 HydrophobicContact CB-CG 3.81Å; L185-K226 HydrophobicContact CD1-CG 4.11Å; R186-K226 HydrophobicContact CG-CD 4.05Å; R186-K226 HydrophobicContact CG-CG 4.25Å; R186-K226 PolarHBondContact NH2-O 2.64Å; Y222-K226 WeakPolarHBondContact O-CB 3.28Å; Y222-K226 WeakPolarHBondContact O-CE 3.41Å; Y222-K226 VanDerWaalsContact O-CG 3.27Å; Y222-K226 WeakPolarHBondContact O-CG 2.97Å; Y222-K226 PolarHBondContact O-N 2.88Å; Q223-K226 PolarHBondContact O-N 3.02Å; Q224-K226 PolarHBondContact O-N 2.8Å; K226-G228 VanDerWaalsContact C-N 3.34Å
227A97.7Very high93.1Very high64 Ų6459.3 Ų59.353%0.52932%0.32SS..Hα-helixtrans-83.3-11.8176.200000113Q223 Q224 I225 A229 I254Q223-A227 WeakPolarHBondContact O-CB 3.45Å; Q223-A227 PolarHBondContact O-N 2.87Å; Q224-A227 CarbonylContact O-C 3.5Å; Q224-A227 PolarHBondContact O-N 2.8Å; I225-A227 PolarHBondContact O-N 3.03Å; A227-A229 HydrophobicContact CB-CB 4.1Å; A227-A229 PolarHBondContact O-N 3.05Å; A227-I254 VanDerWaalsContact O-CD1 3.25Å; A227-I254 WeakPolarHBondContact O-CD1 3.46Å
228G97.8Very high94.1Very high16 Ų1660.8 Ų60.817%0.16533%0.328CS..THydrogen-bonded Turntrans58.633.5-16800000111.9Q224 I225 K226 Y230Q224-G228 PolarHBondContact O-N 3.36Å; I225-G228 PolarHBondContact O-N 2.9Å; K226-G228 VanDerWaalsContact C-N 3.34Å; G228-Y230 VanDerWaalsContact O-CD1 3.29Å; G228-Y230 WeakPolarHBondContact O-CD1 3.42Å; G228-Y230 PolarHBondContact O-N 3.15Å; G228-Y230 VanDerWaalsContact O-N 3.09Å
229A97.6Very high94.8Very high55 Ų5559 Ų5946%0.45532%0.324SS..  trans-82.784-176.100000110.4Q224 A227Q224-A229 PolarHBondContact O-N 2.88Å; A227-A229 HydrophobicContact CB-CB 4.1Å; A227-A229 PolarHBondContact O-N 3.05Å
230Y98.5Very high95.6Very high47 Ų4754 Ų5418%0.18430%0.302CS..  trans-132.4160.516868.7-80.5000108.8Y204 P212 F213 G228 F232 I248 N249 L252Y204-Y230 HydrophobicContact CE2-CD2 4.24Å; P212-Y230 HydrophobicContact CB-CG 4.35Å; F213-Y230 AromaticContact CE1-CD1 3.85Å; F213-Y230 HydrophobicContact CE1-CD1 3.85Å; F213-Y230 HydrophobicContact CE1-CG 4.27Å; F213-Y230 AromaticContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CD1 3.68Å; F213-Y230 HydrophobicContact CZ-CG 4.24Å; G228-Y230 VanDerWaalsContact O-CD1 3.29Å; G228-Y230 WeakPolarHBondContact O-CD1 3.42Å; G228-Y230 PolarHBondContact O-N 3.15Å; G228-Y230 VanDerWaalsContact O-N 3.09Å; Y230-F232 HydrophobicContact CD2-CZ 4.45Å; Y230-F232 HydrophobicContact CE2-CE1 4.24Å; Y230-F232 HydrophobicContact CE2-CE2 4.27Å; Y230-F232 AromaticContact CE2-CZ 3.79Å; Y230-F232 HydrophobicContact CE2-CZ 3.79Å; Y230-I248 HydrophobicContact CE2-CG2 4.09Å; Y230-N249 WeakPolarHBondContact OH-CA 3.35Å; Y230-N249 PolarHBondContact OH-OD1 2.96Å; Y230-L252 HydrophobicContact CD1-CB 4.43Å; Y230-L252 HydrophobicContact CD1-CD1 4.01Å; Y230-L252 HydrophobicContact CD2-CD1 4.13Å; Y230-L252 HydrophobicContact CE1-CB 3.64Å; Y230-L252 HydrophobicContact CE1-CD1 3.88Å; Y230-L252 HydrophobicContact CE1-CG 4.43Å; Y230-L252 HydrophobicContact CE2-CD1 3.99Å; Y230-L252 HydrophobicContact CG-CD1 4.14Å
231D97.6Very high96.3Very high104 Ų10450.2 Ų50.256%0.55629%0.287SS*.  trans-139.9-179.4178.162.9-6.6000111.5Y204 P233Y204-D231 WeakPolarHBondContact CE2-O 3.44Å; Y204-D231 PolarHBondContact OH-O 3.33Å; D231-P233 WeakPolarHBondContact O-CD 3.46Å
232F98.4Very high96.6Very high51 Ų5154 Ų5422%0.22431%0.313CS..  trans-121.176.1177.7-59.5-60000108.5Y204 Y230 W237 K245 I248 N249Y204-F232 HydrophobicContact CD2-CE1 4.16Å; Y204-F232 AromaticContact CE2-CD1 3.95Å; Y204-F232 HydrophobicContact CE2-CD1 3.95Å; Y204-F232 AromaticContact CE2-CE1 3.94Å; Y204-F232 HydrophobicContact CE2-CE1 3.94Å; Y230-F232 HydrophobicContact CD2-CZ 4.45Å; Y230-F232 HydrophobicContact CE2-CE1 4.24Å; Y230-F232 HydrophobicContact CE2-CE2 4.27Å; Y230-F232 AromaticContact CE2-CZ 3.79Å; Y230-F232 HydrophobicContact CE2-CZ 3.79Å; F232-W237 HydrophobicContact CB-CB 3.84Å; F232-W237 HydrophobicContact CB-CD2 3.83Å; F232-W237 HydrophobicContact CB-CE3 4.13Å; F232-W237 HydrophobicContact CB-CG 3.7Å; F232-W237 AromaticContact CD1-CD2 3.49Å; F232-W237 HydrophobicContact CD1-CD2 3.49Å; F232-W237 VanDerWaalsContact CD1-CD2 3.49Å; F232-W237 AromaticContact CD1-CE2 3.7Å; F232-W237 AromaticContact CD1-CE3 3.33Å; F232-W237 HydrophobicContact CD1-CE3 3.33Å; F232-W237 HydrophobicContact CD1-CG 4.26Å; F232-W237 AromaticContact CD1-CH2 3.7Å; F232-W237 HydrophobicContact CD1-CH2 3.7Å; F232-W237 AromaticContact CD1-CZ2 3.84Å; F232-W237 HydrophobicContact CD1-CZ2 3.84Å; F232-W237 AromaticContact CD1-CZ3 3.43Å; F232-W237 HydrophobicContact CD1-CZ3 3.43Å; F232-W237 VanDerWaalsContact CD1-CZ3 3.43Å; F232-W237 HydrophobicContact CE1-CD2 4.46Å; F232-W237 AromaticContact CE1-CE3 4Å; F232-W237 HydrophobicContact CE1-CE3 4Å; F232-W237 AromaticContact CE1-CH2 3.75Å; F232-W237 HydrophobicContact CE1-CH2 3.75Å; F232-W237 HydrophobicContact CE1-CZ2 4.22Å; F232-W237 AromaticContact CE1-CZ3 3.6Å; F232-W237 HydrophobicContact CE1-CZ3 3.6Å; F232-W237 HydrophobicContact CG-CD2 4.09Å; F232-W237 HydrophobicContact CG-CE3 4.01Å; F232-W237 HydrophobicContact CG-CG 4.47Å; F232-W237 HydrophobicContact CG-CZ3 4.46Å; F232-K245 HydrophobicContact CD1-CG 4.24Å; F232-K245 HydrophobicContact CD2-CB 4.37Å; F232-K245 HydrophobicContact CD2-CD 4.2Å; F232-K245 HydrophobicContact CD2-CG 4.23Å; F232-K245 HydrophobicContact CE1-CB 4.41Å; F232-K245 HydrophobicContact CE1-CG 4.22Å; F232-K245 HydrophobicContact CE2-CB 3.94Å; F232-K245 HydrophobicContact CE2-CG 4.22Å; F232-K245 HydrophobicContact CG-CD 4.26Å; F232-K245 HydrophobicContact CG-CG 4.22Å; F232-K245 HydrophobicContact CZ-CB 3.93Å; F232-K245 HydrophobicContact CZ-CG 4.2Å; F232-I248 HydrophobicContact CE1-CB 4.41Å; F232-I248 HydrophobicContact CE1-CD1 4.26Å; F232-I248 HydrophobicContact CE1-CG2 4.01Å; F232-I248 HydrophobicContact CZ-CB 4.26Å; F232-I248 HydrophobicContact CZ-CG2 3.96Å; F232-N249 WeakPolarHBondContact CE2-OD1 3.32Å; F232-N249 WeakPolarHBondContact CZ-OD1 3.3Å
233P95.4Very high96.8Very high40 Ų4056 Ų5626%0.2632%0.323SS..  trans-70147.3-170.628.9-36.7000112.4Y210 D231 W237Y210-P233 VanDerWaalsContact OH-CG 3.24Å; Y210-P233 WeakPolarHBondContact OH-CG 3.23Å; D231-P233 WeakPolarHBondContact O-CD 3.46Å; P233-W237 VanDerWaalsContact CD-CD1 3.41Å; P233-W237 WeakPolarHBondContact O-CB 3.49Å; P233-W237 VanDerWaalsContact O-CD1 3.23Å; P233-W237 PolarHBondContact O-N 2.93Å
234S93.8Very high97Very high80 Ų8051.3 Ų51.356%0.55930%0.301SS*.THydrogen-bonded Turntrans-78.9151.2170.5-56.80000110.6D238S234-D238 WeakPolarHBondContact CB-OD1 3.41Å; S234-D238 WeakPolarHBondContact CB-OD2 3.42Å; S234-D238 PolarHBondContact OG-OD1 3.17Å; S234-D238 PolarHBondContact OG-OD2 3Å
235P93.8Very high97.1Very high77 Ų7751.1 Ų51.150%0.530%0.3SS..THydrogen-bonded Turncis-89.1-15.14.334.6-36.6000115.1W237 D238P235-W237 VanDerWaalsContact C-N 3.27Å; P235-W237 PolarHBondContact O-N 2.96Å; P235-D238 WeakPolarHBondContact O-CB 3.37Å; P235-D238 PolarHBondContact O-N 2.7Å
236E91.1Very high97.1Very high55 Ų5554.7 Ų54.726%0.25732%0.319SS..THydrogen-bonded Turntrans-64-34.3-164.9-5877.5-170.900112.1V208 R283V208-E236 HydrophobicContact CG1-CB 4.37Å; E236-R283 PolarHBondContact O-NH2 2.73Å
237W97.3Very high97.1Very high0 Ų051.3 Ų51.30%030%0.304CS..THydrogen-bonded Turntrans-84.5-10.8178.8-73.489.4000114.6Y204 L207 V208 Y210 F232 P233 P235 T239 V240 K245 I248Y204-W237 AromaticContact CD1-CZ2 3.82Å; Y204-W237 HydrophobicContact CD1-CZ2 3.82Å; Y204-W237 AromaticContact CD2-CH2 3.78Å; Y204-W237 HydrophobicContact CD2-CH2 3.78Å; Y204-W237 AromaticContact CD2-CZ2 3.53Å; Y204-W237 HydrophobicContact CD2-CZ2 3.53Å; Y204-W237 AromaticContact CE1-CZ2 3.6Å; Y204-W237 HydrophobicContact CE1-CZ2 3.6Å; Y204-W237 AromaticContact CE2-CE2 3.93Å; Y204-W237 AromaticContact CE2-CH2 3.92Å; Y204-W237 HydrophobicContact CE2-CH2 3.92Å; Y204-W237 AromaticContact CE2-CZ2 3.3Å; Y204-W237 HydrophobicContact CE2-CZ2 3.3Å; Y204-W237 HydrophobicContact CG-CH2 4.11Å; Y204-W237 AromaticContact CG-CZ2 3.79Å; Y204-W237 HydrophobicContact CG-CZ2 3.79Å; Y204-W237 AromaticContact CZ-CE2 3.72Å; Y204-W237 AromaticContact CZ-CZ2 3.33Å; Y204-W237 AromaticContact CZ-NE1 3.7Å; Y204-W237 PolarHBondContact OH-NE1 2.87Å; L207-W237 HydrophobicContact CB-CH2 4.21Å; L207-W237 HydrophobicContact CD1-CH2 4.11Å; L207-W237 HydrophobicContact CD1-CZ3 4.05Å; V208-W237 HydrophobicContact CB-CZ2 4.19Å; V208-W237 HydrophobicContact CG1-CD2 3.89Å; V208-W237 HydrophobicContact CG1-CG 4.26Å; V208-W237 HydrophobicContact CG1-CH2 4.29Å; V208-W237 HydrophobicContact CG1-CZ2 3.61Å; V208-W237 HydrophobicContact CG2-CZ2 3.49Å; V208-W237 VanDerWaalsContact CG2-CZ2 3.49Å; Y210-W237 AromaticContact CZ-NE1 3.82Å; Y210-W237 VanDerWaalsContact OH-CD1 3.24Å; Y210-W237 PolarHBondContact OH-NE1 3.18Å; F232-W237 HydrophobicContact CB-CB 3.84Å; F232-W237 HydrophobicContact CB-CD2 3.83Å; F232-W237 HydrophobicContact CB-CE3 4.13Å; F232-W237 HydrophobicContact CB-CG 3.7Å; F232-W237 AromaticContact CD1-CD2 3.49Å; F232-W237 HydrophobicContact CD1-CD2 3.49Å; F232-W237 VanDerWaalsContact CD1-CD2 3.49Å; F232-W237 AromaticContact CD1-CE2 3.7Å; F232-W237 AromaticContact CD1-CE3 3.33Å; F232-W237 HydrophobicContact CD1-CE3 3.33Å; F232-W237 HydrophobicContact CD1-CG 4.26Å; F232-W237 AromaticContact CD1-CH2 3.7Å; F232-W237 HydrophobicContact CD1-CH2 3.7Å; F232-W237 AromaticContact CD1-CZ2 3.84Å; F232-W237 HydrophobicContact CD1-CZ2 3.84Å; F232-W237 AromaticContact CD1-CZ3 3.43Å; F232-W237 HydrophobicContact CD1-CZ3 3.43Å; F232-W237 VanDerWaalsContact CD1-CZ3 3.43Å; F232-W237 HydrophobicContact CE1-CD2 4.46Å; F232-W237 AromaticContact CE1-CE3 4Å; F232-W237 HydrophobicContact CE1-CE3 4Å; F232-W237 AromaticContact CE1-CH2 3.75Å; F232-W237 HydrophobicContact CE1-CH2 3.75Å; F232-W237 HydrophobicContact CE1-CZ2 4.22Å; F232-W237 AromaticContact CE1-CZ3 3.6Å; F232-W237 HydrophobicContact CE1-CZ3 3.6Å; F232-W237 HydrophobicContact CG-CD2 4.09Å; F232-W237 HydrophobicContact CG-CE3 4.01Å; F232-W237 HydrophobicContact CG-CG 4.47Å; F232-W237 HydrophobicContact CG-CZ3 4.46Å; P233-W237 VanDerWaalsContact CD-CD1 3.41Å; P233-W237 WeakPolarHBondContact O-CB 3.49Å; P233-W237 VanDerWaalsContact O-CD1 3.23Å; P233-W237 PolarHBondContact O-N 2.93Å; P235-W237 VanDerWaalsContact C-N 3.27Å; P235-W237 PolarHBondContact O-N 2.96Å; W237-T239 PolarHBondContact O-N 3.18Å; W237-V240 HydrophobicContact CD2-CG2 4.35Å; W237-V240 HydrophobicContact CE3-CB 3.77Å; W237-V240 HydrophobicContact CE3-CG1 3.73Å; W237-V240 HydrophobicContact CE3-CG2 3.83Å; W237-V240 HydrophobicContact CZ3-CB 4.28Å; W237-V240 HydrophobicContact CZ3-CG1 3.74Å; W237-V240 HydrophobicContact CZ3-CG2 4.33Å; W237-V240 PolarHBondContact O-N 2.7Å; W237-V240 VanDerWaalsContact O-N 3.1Å; W237-K245 HydrophobicContact CE3-CD 4.44Å; W237-K245 HydrophobicContact CE3-CG 3.92Å; W237-K245 HydrophobicContact CZ3-CG 4.03Å; W237-K245 WeakPolarHBondContact O-CE 3.27Å; W237-K245 PolarHBondContact O-NZ 2.89Å; W237-I248 HydrophobicContact CH2-CD1 3.51Å; W237-I248 HydrophobicContact CZ3-CD1 3.89Å
238D96.1Very high97.2Very high101 Ų10148.2 Ų48.254%0.5428%0.279SS..THydrogen-bonded Turntrans-64.2-31.6-177.3-66.6-13.7000111.5S234 P235S234-D238 WeakPolarHBondContact CB-OD1 3.41Å; S234-D238 WeakPolarHBondContact CB-OD2 3.42Å; S234-D238 PolarHBondContact OG-OD1 3.17Å; S234-D238 PolarHBondContact OG-OD2 3Å; P235-D238 WeakPolarHBondContact O-CB 3.37Å; P235-D238 PolarHBondContact O-N 2.7Å
239T96Very high97.3Very high69 Ų6950.6 Ų50.642%0.42329%0.287SS..THydrogen-bonded Turntrans-91.4-3.2179.260.80000113.7W237 M281 R283W237-T239 PolarHBondContact O-N 3.18Å; T239-M281 HydrophobicContact CG2-CE 3.92Å; T239-R283 PolarHBondContact OG1-NH1 3.17Å
240V98.1Very high97.3Very high5 Ų551.2 Ų51.23%0.0328%0.281CS..SBendtrans-83.1130.7179177.60000110.2E109 L207 V208 W237 A244 K245E109-V240 VanDerWaalsContact OE1-CA 3.25Å; E109-V240 WeakPolarHBondContact OE1-CA 3.49Å; L207-V240 HydrophobicContact CD1-CG1 4.07Å; V208-V240 HydrophobicContact CG1-CG2 4.49Å; W237-V240 HydrophobicContact CD2-CG2 4.35Å; W237-V240 HydrophobicContact CE3-CB 3.77Å; W237-V240 HydrophobicContact CE3-CG1 3.73Å; W237-V240 HydrophobicContact CE3-CG2 3.83Å; W237-V240 HydrophobicContact CZ3-CB 4.28Å; W237-V240 HydrophobicContact CZ3-CG1 3.74Å; W237-V240 HydrophobicContact CZ3-CG2 4.33Å; W237-V240 PolarHBondContact O-N 2.7Å; W237-V240 VanDerWaalsContact O-N 3.1Å; V240-A244 HydrophobicContact CG1-CB 3.72Å; V240-K245 HydrophobicContact CG1-CG 4.21Å; V240-K245 WeakPolarHBondContact O-CE 3.22Å
241T98.4Very high97.3Very high22 Ų2249 Ų4914%0.13527%0.272CS..  trans-57.7143.9-176.560.90000112.4E109 E243 A244 K245 W270E109-T241 PolarHBondContact OE1-N 3.43Å; E109-T241 WeakPolarHBondContact OE2-CB 2.96Å; E109-T241 VanDerWaalsContact OE2-CG2 3.29Å; E109-T241 WeakPolarHBondContact OE2-CG2 3.49Å; E109-T241 PolarHBondContact OE2-OG1 3.09Å; T241-E243 PolarHBondContact O-N 3.46Å; T241-A244 WeakPolarHBondContact O-CB 3.32Å; T241-A244 PolarHBondContact O-N 2.94Å; T241-A244 WeakPolarHBondContact OG1-CB 3.2Å; T241-A244 PolarHBondContact OG1-N 2.91Å; T241-K245 PolarHBondContact O-N 2.75Å; T241-W270 PolarHBondContact OG1-NE1 2.79Å
242P98.6Very high97.4Very high94 Ų9444.2 Ų44.261%0.6125%0.247SC*.Hα-helixtrans-55.3-34.1174.4-25.935000113K245 N246P242-K245 PolarHBondContact O-N 3.06Å; P242-N246 VanDerWaalsContact O-CB 3.27Å; P242-N246 WeakPolarHBondContact O-CB 3.46Å; P242-N246 PolarHBondContact O-N 3.29Å
243E98.8Very high97.4Very high76 Ų7643.7 Ų43.736%0.35525%0.248SC..Hα-helixtrans-70.5-35.2-179.2-63.474.1-162.500112.1T241 N246 L247 H268 W270 V277T241-E243 PolarHBondContact O-N 3.46Å; E243-N246 PolarHBondContact O-N 3.48Å; E243-L247 PolarHBondContact O-N 3.08Å; E243-H268 PolarHBondContact O-CE1 3.08Å; E243-H268 VanDerWaalsContact O-CE1 3.23Å; E243-W270 HydrophobicContact CB-CB 3.94Å; E243-W270 HydrophobicContact CB-CG 4.34Å; E243-V277 HydrophobicContact CB-CG1 3.64Å; E243-V277 HydrophobicContact CG-CG1 3.58Å
244A98.8Very high97.6Very high0 Ų044.6 Ų44.60%025%0.25CC..Hα-helixtrans-62.7-49.2171.900000111.1L207 V240 T241 N246 L247 I248 W270L207-A244 HydrophobicContact CD1-CB 3.8Å; V240-A244 HydrophobicContact CG1-CB 3.72Å; T241-A244 WeakPolarHBondContact O-CB 3.32Å; T241-A244 PolarHBondContact O-N 2.94Å; T241-A244 WeakPolarHBondContact OG1-CB 3.2Å; T241-A244 PolarHBondContact OG1-N 2.91Å; A244-N246 VanDerWaalsContact C-N 3.28Å; A244-N246 PolarHBondContact O-N 2.71Å; A244-L247 PolarHBondContact O-N 2.63Å; A244-I248 WeakPolarHBondContact O-CG1 3.22Å; A244-I248 PolarHBondContact O-N 3.26Å; A244-W270 HydrophobicContact CB-CD2 4.16Å; A244-W270 HydrophobicContact CB-CG 4.31Å; A244-W270 HydrophobicContact CB-CZ2 4.01Å
245K98.8Very high97.8Very high47 Ų4744.3 Ų44.320%0.20424%0.242CC..Hα-helixtrans-59.9-40.7176.6-65.7174.2-176.8171.40111.1F232 W237 V240 T241 P242 I248 N249F232-K245 HydrophobicContact CD1-CG 4.24Å; F232-K245 HydrophobicContact CD2-CB 4.37Å; F232-K245 HydrophobicContact CD2-CD 4.2Å; F232-K245 HydrophobicContact CD2-CG 4.23Å; F232-K245 HydrophobicContact CE1-CB 4.41Å; F232-K245 HydrophobicContact CE1-CG 4.22Å; F232-K245 HydrophobicContact CE2-CB 3.94Å; F232-K245 HydrophobicContact CE2-CG 4.22Å; F232-K245 HydrophobicContact CG-CD 4.26Å; F232-K245 HydrophobicContact CG-CG 4.22Å; F232-K245 HydrophobicContact CZ-CB 3.93Å; F232-K245 HydrophobicContact CZ-CG 4.2Å; W237-K245 HydrophobicContact CE3-CD 4.44Å; W237-K245 HydrophobicContact CE3-CG 3.92Å; W237-K245 HydrophobicContact CZ3-CG 4.03Å; W237-K245 WeakPolarHBondContact O-CE 3.27Å; W237-K245 PolarHBondContact O-NZ 2.89Å; V240-K245 HydrophobicContact CG1-CG 4.21Å; V240-K245 WeakPolarHBondContact O-CE 3.22Å; T241-K245 PolarHBondContact O-N 2.75Å; P242-K245 PolarHBondContact O-N 3.06Å; K245-I248 PolarHBondContact O-N 3.07Å; K245-N249 PolarHBondContact O-N 3.03Å; K245-N249 PolarHBondContact O-ND2 3.16Å
246N98.9Very high98Very high74 Ų7441.7 Ų41.740%0.39623%0.225SC..Hα-helixtrans-62.5-45177.9-173.8-93.2000112P242 E243 A244 I248 N249 Q250 H268P242-N246 VanDerWaalsContact O-CB 3.27Å; P242-N246 WeakPolarHBondContact O-CB 3.46Å; P242-N246 PolarHBondContact O-N 3.29Å; E243-N246 PolarHBondContact O-N 3.48Å; A244-N246 VanDerWaalsContact C-N 3.28Å; A244-N246 PolarHBondContact O-N 2.71Å; N246-I248 VanDerWaalsContact C-N 3.35Å; N246-I248 PolarHBondContact O-N 2.86Å; N246-N249 PolarHBondContact O-N 3.23Å; N246-Q250 WeakPolarHBondContact O-CG 3.42Å; N246-Q250 PolarHBondContact O-N 3.36Å; N246-Q250 PolarHBondContact OD1-NE2 3.07Å; N246-H268 PolarHBondContact OD1-NE2 3.42Å
247L98.9Very high98.3Very high0 Ų043.3 Ų43.30%025%0.248CC..Hα-helixtrans-62.1-42.8176.1-176.656.8000111.8L203 E243 A244 N249 Q250 M251 I260 A265 H268 W270 V271L203-L247 HydrophobicContact CD2-CB 4.38Å; L203-L247 HydrophobicContact CD2-CD2 3.83Å; L203-L247 HydrophobicContact CD2-CG 3.95Å; E243-L247 PolarHBondContact O-N 3.08Å; A244-L247 PolarHBondContact O-N 2.63Å; L247-N249 VanDerWaalsContact C-N 3.34Å; L247-N249 PolarHBondContact O-N 3.38Å; L247-Q250 PolarHBondContact O-N 2.99Å; L247-M251 HydrophobicContact CD1-CE 3.89Å; L247-M251 HydrophobicContact CD2-CE 4.2Å; L247-M251 HydrophobicContact CG-CE 3.94Å; L247-M251 HydrophobicContact CG-SD 4.47Å; L247-M251 WeakPolarHBondContact O-CG 3.08Å; L247-M251 PolarHBondContact O-N 3.36Å; L247-I260 HydrophobicContact CD1-CD1 4.09Å; L247-A265 HydrophobicContact CD1-CB 4.23Å; L247-H268 HydrophobicContact CD1-CB 3.94Å; L247-W270 HydrophobicContact CD2-CE3 3.85Å; L247-W270 HydrophobicContact CD2-CZ3 4.44Å; L247-V271 HydrophobicContact CD2-CG2 3.64Å
248I98.9Very high98.4Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-58.2-46.8174.2-70.3173000110.7L203 Y204 L207 Y230 F232 W237 A244 K245 N246 Q250 M251 L252L203-I248 HydrophobicContact CB-CG1 4.37Å; L203-I248 HydrophobicContact CD2-CG1 3.69Å; L203-I248 HydrophobicContact CG-CD1 4.18Å; L203-I248 HydrophobicContact CG-CG1 3.81Å; Y204-I248 HydrophobicContact CD2-CD1 4.32Å; Y204-I248 HydrophobicContact CD2-CG2 4.21Å; L207-I248 HydrophobicContact CD1-CD1 3.77Å; Y230-I248 HydrophobicContact CE2-CG2 4.09Å; F232-I248 HydrophobicContact CE1-CB 4.41Å; F232-I248 HydrophobicContact CE1-CD1 4.26Å; F232-I248 HydrophobicContact CE1-CG2 4.01Å; F232-I248 HydrophobicContact CZ-CB 4.26Å; F232-I248 HydrophobicContact CZ-CG2 3.96Å; W237-I248 HydrophobicContact CH2-CD1 3.51Å; W237-I248 HydrophobicContact CZ3-CD1 3.89Å; A244-I248 WeakPolarHBondContact O-CG1 3.22Å; A244-I248 PolarHBondContact O-N 3.26Å; K245-I248 PolarHBondContact O-N 3.07Å; N246-I248 VanDerWaalsContact C-N 3.35Å; N246-I248 PolarHBondContact O-N 2.86Å; I248-Q250 VanDerWaalsContact C-N 3.29Å; I248-Q250 PolarHBondContact O-N 3.28Å; I248-M251 PolarHBondContact O-N 2.82Å; I248-M251 VanDerWaalsContact O-N 3.13Å; I248-L252 HydrophobicContact CG2-CD1 3.68Å; I248-L252 HydrophobicContact CG2-CG 4.15Å; I248-L252 WeakPolarHBondContact O-CB 3.41Å; I248-L252 PolarHBondContact O-N 2.91Å
249N98.9Very high98.5Very high65 Ų6546.7 Ų46.735%0.34826%0.257SS..Hα-helixtrans-59.1-40.8178.4-69.5-21.3000112.4Y230 F232 K245 N246 L247 T253Y230-N249 WeakPolarHBondContact OH-CA 3.35Å; Y230-N249 PolarHBondContact OH-OD1 2.96Å; F232-N249 WeakPolarHBondContact CE2-OD1 3.32Å; F232-N249 WeakPolarHBondContact CZ-OD1 3.3Å; K245-N249 PolarHBondContact O-N 3.03Å; K245-N249 PolarHBondContact O-ND2 3.16Å; N246-N249 PolarHBondContact O-N 3.23Å; L247-N249 VanDerWaalsContact C-N 3.34Å; L247-N249 PolarHBondContact O-N 3.38Å; N249-T253 PolarHBondContact O-N 2.92Å; N249-T253 PolarHBondContact O-OG1 3.17Å
250Q98.9Very high98.7Very high69 Ų6943.9 Ų43.932%0.32224%0.24SC..Hα-helixtrans-68.3-33.7177.6-71-169.263.600112.7N246 L247 I248 T253 I260N246-Q250 WeakPolarHBondContact O-CG 3.42Å; N246-Q250 PolarHBondContact O-N 3.36Å; N246-Q250 PolarHBondContact OD1-NE2 3.07Å; L247-Q250 PolarHBondContact O-N 2.99Å; I248-Q250 VanDerWaalsContact C-N 3.29Å; I248-Q250 PolarHBondContact O-N 3.28Å; Q250-T253 PolarHBondContact O-OG1 3.39Å; Q250-I260 HydrophobicContact CB-CB 4Å; Q250-I260 HydrophobicContact CB-CD1 4.29Å; Q250-I260 HydrophobicContact CB-CG2 3.97Å; Q250-I260 WeakPolarHBondContact O-CG2 3.41Å; Q250-I260 PolarHBondContact O-N 3.3Å
251M98.9Very high98.7Very high0 Ų046.7 Ų46.70%026%0.257CS..Hα-helixtrans-77.1-41.5175.1-69-177175.100113L120 I196 C199 L203 L247 I248 T253 R259 I260 A265L120-M251 HydrophobicContact CD1-CE 3.91Å; L120-M251 HydrophobicContact CD2-CE 3.94Å; L120-M251 HydrophobicContact CG-CE 4.4Å; I196-M251 HydrophobicContact CG2-CB 4.17Å; I196-M251 HydrophobicContact CG2-CG 3.86Å; C199-M251 HydrophobicContact CB-CE 4.49Å; C199-M251 HydrophobicContact CB-SD 4.08Å; L203-M251 HydrophobicContact CD2-SD 4.23Å; L247-M251 HydrophobicContact CD1-CE 3.89Å; L247-M251 HydrophobicContact CD2-CE 4.2Å; L247-M251 HydrophobicContact CG-CE 3.94Å; L247-M251 HydrophobicContact CG-SD 4.47Å; L247-M251 WeakPolarHBondContact O-CG 3.08Å; L247-M251 PolarHBondContact O-N 3.36Å; I248-M251 PolarHBondContact O-N 2.82Å; I248-M251 VanDerWaalsContact O-N 3.13Å; M251-T253 PolarHBondContact O-N 3.27Å; M251-R259 WeakPolarHBondContact O-CD 3.5Å; M251-R259 VanDerWaalsContact O-CG 3.24Å; M251-R259 WeakPolarHBondContact O-CG 3.47Å; M251-R259 PolarHBondContact O-NE 3.23Å; M251-I260 HydrophobicContact CB-CG2 4.45Å; M251-I260 HydrophobicContact CG-CG2 3.76Å; M251-A265 HydrophobicContact CE-CB 3.87Å
252L98.9Very high98.7Very high4 Ų445.8 Ų45.82%0.02125%0.251CS..THydrogen-bonded Turntrans-8727.5178.5-60.8-175.1000112.5W197 V201 P212 F213 Y230 I248 I254W197-L252 HydrophobicContact CD2-CD2 3.95Å; W197-L252 HydrophobicContact CE3-CD2 4.11Å; W197-L252 HydrophobicContact CG-CD2 4.43Å; W197-L252 HydrophobicContact CH2-CD2 4.49Å; W197-L252 HydrophobicContact CZ2-CD2 4.33Å; W197-L252 HydrophobicContact CZ3-CB 4.23Å; W197-L252 HydrophobicContact CZ3-CD2 4.39Å; W197-L252 WeakPolarHBondContact CZ3-O 3.42Å; V201-L252 HydrophobicContact CG2-CD2 3.94Å; P212-L252 HydrophobicContact CB-CD1 4.39Å; P212-L252 HydrophobicContact CG-CD1 4.36Å; F213-L252 HydrophobicContact CE2-CD1 4.39Å; F213-L252 HydrophobicContact CE2-CD2 4.35Å; F213-L252 HydrophobicContact CZ-CD1 4.4Å; Y230-L252 HydrophobicContact CD1-CB 4.43Å; Y230-L252 HydrophobicContact CD1-CD1 4.01Å; Y230-L252 HydrophobicContact CD2-CD1 4.13Å; Y230-L252 HydrophobicContact CE1-CB 3.64Å; Y230-L252 HydrophobicContact CE1-CD1 3.88Å; Y230-L252 HydrophobicContact CE1-CG 4.43Å; Y230-L252 HydrophobicContact CE2-CD1 3.99Å; Y230-L252 HydrophobicContact CG-CD1 4.14Å; I248-L252 HydrophobicContact CG2-CD1 3.68Å; I248-L252 HydrophobicContact CG2-CG 4.15Å; I248-L252 WeakPolarHBondContact O-CB 3.41Å; I248-L252 PolarHBondContact O-N 2.91Å; L252-I254 PolarHBondContact O-N 3.12Å
253T98.9Very high98.7Very high40 Ų4044.8 Ų44.825%0.24524%0.239CC..  trans-73.1123.8171.9-71.20000109.9N249 Q250 M251 N255 K258 R259N249-T253 PolarHBondContact O-N 2.92Å; N249-T253 PolarHBondContact O-OG1 3.17Å; Q250-T253 PolarHBondContact O-OG1 3.39Å; M251-T253 PolarHBondContact O-N 3.27Å; T253-N255 PolarHBondContact O-N 3.31Å; T253-K258 HydrophobicContact CG2-CB 3.91Å; T253-R259 PolarHBondContact O-NE 2.88Å; T253-R259 PolarHBondContact O-NH2 2.97Å
254I98.7Very high98.7Very high58 Ų5846.1 Ų46.130%0.29725%0.245SC..SBendtrans-62-43.5-174.1-62.7172.5000112.2P182 A227 L252 P256 R259P182-I254 HydrophobicContact CB-CG2 4.17Å; P182-I254 HydrophobicContact CG-CG2 4.32Å; A227-I254 VanDerWaalsContact O-CD1 3.25Å; A227-I254 WeakPolarHBondContact O-CD1 3.46Å; L252-I254 PolarHBondContact O-N 3.12Å; I254-P256 VanDerWaalsContact O-CD 3.29Å; I254-P256 WeakPolarHBondContact O-CD 3.36Å; I254-R259 PolarHBondContact O-NH2 3.02Å
255N98.4Very high98.7Very high75 Ų7546.1 Ų46.140%0.40125%0.245SC..SBendtrans-77.9112.9179.1-178.4-19.6000109.5T253 A257 K258 R259T253-N255 PolarHBondContact O-N 3.31Å; N255-A257 PolarHBondContact O-N 3.04Å; N255-A257 VanDerWaalsContact O-N 3.16Å; N255-A257 WeakPolarHBondContact OD1-CB 3.48Å; N255-A257 PolarHBondContact OD1-N 3.07Å; N255-K258 HydrophobicContact CB-CB 4.38Å; N255-K258 HydrophobicContact CB-CD 4.49Å; N255-K258 HydrophobicContact CB-CG 4.39Å; N255-K258 PolarHBondContact O-N 3.5Å; N255-R259 PolarHBondContact O-N 3.5Å; N255-R259 VanDerWaalsContact O-N 3.14Å
256P98.3Very high98.7Very high21 Ų2145.1 Ų45.114%0.13624%0.242CC..THydrogen-bonded Turntrans-63-24.1-175.926.1-35000113.5E183 P193 I254 K258E183-P256 HydrophobicContact CB-CG 4.44Å; E183-P256 HydrophobicContact CG-CG 4.36Å; P193-P256 HydrophobicContact CB-CB 3.77Å; P193-P256 HydrophobicContact CG-CB 4.16Å; I254-P256 VanDerWaalsContact O-CD 3.29Å; I254-P256 WeakPolarHBondContact O-CD 3.36Å; P256-K258 VanDerWaalsContact C-N 3.3Å; P256-K258 PolarHBondContact O-N 3.33Å
257A97.8Very high98.7Very high89 Ų8948.4 Ų48.474%0.73625%0.252SS*.THydrogen-bonded Turntrans-75.8-17176.500000113.6N255N255-A257 PolarHBondContact O-N 3.04Å; N255-A257 VanDerWaalsContact O-N 3.16Å; N255-A257 WeakPolarHBondContact OD1-CB 3.48Å; N255-A257 PolarHBondContact OD1-N 3.07Å
258K98.5Very high98.7Very high163 Ų16349.2 Ų49.271%0.70926%0.256SS*.THydrogen-bonded Turntrans-104.4-8.4175.3-63.8-173.9178.1-175.60112.8T253 N255 P256T253-K258 HydrophobicContact CG2-CB 3.91Å; N255-K258 HydrophobicContact CB-CB 4.38Å; N255-K258 HydrophobicContact CB-CD 4.49Å; N255-K258 HydrophobicContact CB-CG 4.39Å; N255-K258 PolarHBondContact O-N 3.5Å; P256-K258 VanDerWaalsContact C-N 3.3Å; P256-K258 PolarHBondContact O-N 3.33Å
259R98.8Very high98.7Very high10 Ų1051.7 Ų51.74%0.03827%0.272CS..SBendtrans-70.1136179.7-168.4179.7-61.41486.9108.7E183 P193 I196 M251 T253 I254 N255E183-R259 IonicContact OE1-CZ 2.64Å; E183-R259 IonicContact OE1-NH1 2.87Å; E183-R259 PolarHBondContact OE1-NH1 3.36Å; E183-R259 IonicContact OE1-NH2 3.69Å; E183-R259 IonicContact OE2-CZ 3.57Å; E183-R259 IonicContact OE2-NH1 2.72Å; E183-R259 IonicContact OE2-NH2 3.27Å; E183-R259 PolarHBondContact OE2-NH2 3.27Å; P193-R259 VanDerWaalsContact C-NH1 3.34Å; P193-R259 WeakPolarHBondContact O-CD 3.39Å; P193-R259 PolarHBondContact O-NH1 3.14Å; I196-R259 HydrophobicContact CB-CG 4.49Å; I196-R259 HydrophobicContact CG2-CG 4.3Å; M251-R259 WeakPolarHBondContact O-CD 3.5Å; M251-R259 VanDerWaalsContact O-CG 3.24Å; M251-R259 WeakPolarHBondContact O-CG 3.47Å; M251-R259 PolarHBondContact O-NE 3.23Å; T253-R259 PolarHBondContact O-NE 2.88Å; T253-R259 PolarHBondContact O-NH2 2.97Å; I254-R259 PolarHBondContact O-NH2 3.02Å; N255-R259 PolarHBondContact O-N 3.5Å; N255-R259 VanDerWaalsContact O-N 3.14Å
260I98.9Very high98.7Very high10 Ų1048.6 Ų48.65%0.05126%0.256CS..PPolyproline II helixtrans-54.9145.2177.2-164.8173.4000110.6I196 L247 Q250 M251 E264 A265I196-I260 HydrophobicContact CG2-CG2 3.96Å; I196-I260 VanDerWaalsContact CG2-O 3.29Å; I196-I260 WeakPolarHBondContact CG2-O 3.49Å; L247-I260 HydrophobicContact CD1-CD1 4.09Å; Q250-I260 HydrophobicContact CB-CB 4Å; Q250-I260 HydrophobicContact CB-CD1 4.29Å; Q250-I260 HydrophobicContact CB-CG2 3.97Å; Q250-I260 WeakPolarHBondContact O-CG2 3.41Å; Q250-I260 PolarHBondContact O-N 3.3Å; M251-I260 HydrophobicContact CB-CG2 4.45Å; M251-I260 HydrophobicContact CG-CG2 3.76Å; I260-E264 HydrophobicContact CD1-CB 4.03Å; I260-E264 HydrophobicContact CG1-CB 3.47Å; I260-E264 VanDerWaalsContact CG1-CB 3.47Å; I260-A265 HydrophobicContact CD1-CB 3.91Å; I260-A265 HydrophobicContact CG1-CB 4.29Å; I260-A265 HydrophobicContact CG2-CB 4.47Å
261T98.9Very high98.6Very high64 Ų6445.4 Ų45.439%0.39324%0.241SC..PPolyproline II helixtrans-86.8163.1172.763.40000111.3Q263 E264 A265T261-Q263 PolarHBondContact O-N 3.37Å; T261-E264 WeakPolarHBondContact CB-OE2 3.39Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.27Å; T261-E264 PolarHBondContact N-OE2 3.26Å; T261-E264 PolarHBondContact O-N 3.16Å; T261-E264 VanDerWaalsContact OG1-CG 3.27Å; T261-E264 WeakPolarHBondContact OG1-CG 3.46Å; T261-E264 PolarHBondContact OG1-N 2.97Å; T261-E264 PolarHBondContact OG1-OE2 3.02Å; T261-A265 WeakPolarHBondContact O-CB 3.32Å; T261-A265 PolarHBondContact O-N 2.83Å
262A98.8Very high98.6Very high2 Ų248.9 Ų48.92%0.01726%0.264CS..Hα-helixtrans-57.3-38.1173.900000112.1L120 V123 L124 I196 A265 L266L120-A262 HydrophobicContact CD2-CB 4.39Å; V123-A262 HydrophobicContact CG1-CB 4.24Å; L124-A262 HydrophobicContact CB-CB 3.91Å; L124-A262 HydrophobicContact CD1-CB 4.31Å; I196-A262 HydrophobicContact CD1-CB 3.74Å; A262-A265 PolarHBondContact O-N 2.78Å; A262-L266 WeakPolarHBondContact O-CG 3.44Å; A262-L266 PolarHBondContact O-N 3.26Å
263Q98.6Very high98.5Very high74 Ų7453.5 Ų53.535%0.34629%0.286SS..Hα-helixtrans-65.1-39.8179.6-178.36083.300112.7L124 T261L124-Q263 HydrophobicContact CD1-CB 3.9Å; T261-Q263 PolarHBondContact O-N 3.37Å
264E98.8Very high98.3Very high103 Ų10354.5 Ų54.548%0.48129%0.285SS..Hα-helixtrans-74-40.5176.6-70.3159.9152.400111.1I260 T261 L266 K267 H268I260-E264 HydrophobicContact CD1-CB 4.03Å; I260-E264 HydrophobicContact CG1-CB 3.47Å; I260-E264 VanDerWaalsContact CG1-CB 3.47Å; T261-E264 WeakPolarHBondContact CB-OE2 3.39Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.27Å; T261-E264 PolarHBondContact N-OE2 3.26Å; T261-E264 PolarHBondContact O-N 3.16Å; T261-E264 VanDerWaalsContact OG1-CG 3.27Å; T261-E264 WeakPolarHBondContact OG1-CG 3.46Å; T261-E264 PolarHBondContact OG1-N 2.97Å; T261-E264 PolarHBondContact OG1-OE2 3.02Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-L266 PolarHBondContact O-N 2.86Å; E264-K267 CarbonylContact O-C 3.56Å; E264-K267 WeakPolarHBondContact O-CA 3.5Å; E264-K267 WeakPolarHBondContact O-CB 3.43Å; E264-K267 PolarHBondContact O-N 2.82Å; E264-H268 PolarHBondContact O-N 2.79Å
265A98.8Very high98Very high0 Ų056.4 Ų56.40%030%0.304CS..Hα-helixtrans-60.1-39.1177.700000112.3L120 L247 M251 I260 T261 A262 K267 H268L120-A265 HydrophobicContact CD1-CB 3.75Å; L120-A265 HydrophobicContact CD2-CB 4.04Å; L247-A265 HydrophobicContact CD1-CB 4.23Å; M251-A265 HydrophobicContact CE-CB 3.87Å; I260-A265 HydrophobicContact CD1-CB 3.91Å; I260-A265 HydrophobicContact CG1-CB 4.29Å; I260-A265 HydrophobicContact CG2-CB 4.47Å; T261-A265 WeakPolarHBondContact O-CB 3.32Å; T261-A265 PolarHBondContact O-N 2.83Å; A262-A265 PolarHBondContact O-N 2.78Å; A265-K267 PolarHBondContact O-N 3.41Å; A265-H268 WeakPolarHBondContact O-CB 3.44Å; A265-H268 PolarHBondContact O-N 2.91Å; A265-H268 VanDerWaalsContact O-N 3.08Å
266L98.8Very high97.7Very high27 Ų2758 Ų5814%0.14132%0.316CS..THydrogen-bonded Turntrans-64-23173.9-75.7169.3000113.7Q117 L120 E121 L124 A262 E264 V271Q117-L266 HydrophobicContact CG-CD2 3.96Å; L120-L266 HydrophobicContact CB-CD1 4.42Å; L120-L266 HydrophobicContact CB-CD2 3.68Å; L120-L266 HydrophobicContact CB-CG 3.84Å; L120-L266 HydrophobicContact CD1-CD2 4.41Å; E121-L266 HydrophobicContact CG-CD1 4.15Å; E121-L266 HydrophobicContact CG-CD2 3.9Å; L124-L266 HydrophobicContact CB-CD1 4.34Å; L124-L266 HydrophobicContact CD2-CD1 3.67Å; A262-L266 WeakPolarHBondContact O-CG 3.44Å; A262-L266 PolarHBondContact O-N 3.26Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-L266 PolarHBondContact O-N 2.86Å; L266-V271 HydrophobicContact CD2-CG1 4.43Å
267K98.7Very high97.6Very high142 Ų14258.4 Ų58.462%0.61732%0.318SS*.THydrogen-bonded Turntrans-91.6-6.2176.1-64.9175.1-178.6176.20112.6E264 A265 C272E264-K267 CarbonylContact O-C 3.56Å; E264-K267 WeakPolarHBondContact O-CA 3.5Å; E264-K267 WeakPolarHBondContact O-CB 3.43Å; E264-K267 PolarHBondContact O-N 2.82Å; A265-K267 PolarHBondContact O-N 3.41Å; K267-C272 PolarHBondContact O-SG 3.36Å
268H98.8Very high97.4Very high17 Ų1754.5 Ų54.58%0.07929%0.286CS..SBendtrans-62.3137.1179.3-169.3-88.4000110.8E243 N246 L247 E264 A265 W270 V271 C272E243-H268 PolarHBondContact O-CE1 3.08Å; E243-H268 VanDerWaalsContact O-CE1 3.23Å; N246-H268 PolarHBondContact OD1-NE2 3.42Å; L247-H268 HydrophobicContact CD1-CB 3.94Å; E264-H268 PolarHBondContact O-N 2.79Å; A265-H268 WeakPolarHBondContact O-CB 3.44Å; A265-H268 PolarHBondContact O-N 2.91Å; A265-H268 VanDerWaalsContact O-N 3.08Å; H268-W270 VanDerWaalsContact C-N 3.28Å; H268-W270 WeakPolarHBondContact ND1-CB 3.5Å; H268-W270 PolarHBondContact ND1-N 2.78Å; H268-W270 PolarHBondContact O-N 3.18Å; H268-V271 WeakPolarHBondContact O-CA 3.49Å; H268-V271 PolarHBondContact O-N 2.8Å; H268-C272 PolarHBondContact O-N 3.45Å; H268-C272 PolarHBondContact O-SG 3.31Å; H268-C272 VanDerWaalsContact O-SG 3.37Å
269P98.4Very high97.3Very high52 Ų5248.1 Ų48.134%0.33826%0.262SS..Hα-helixtrans-54.5-39.6-175.2-28.835.5000114.2V271 Q273 V277P269-V271 PolarHBondContact O-N 2.96Å; P269-V271 VanDerWaalsContact O-N 3.13Å; P269-Q273 CarbonylContact O-C 3.48Å; P269-Q273 WeakPolarHBondContact O-CA 3.45Å; P269-Q273 WeakPolarHBondContact O-CB 3.33Å; P269-Q273 PolarHBondContact O-N 3.41Å; P269-V277 HydrophobicContact CB-CG2 4.24Å
270W98.7Very high97.1Very high0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-59.7-24.2176.7-166.680.4000113.9E109 A112 S113 I116 L203 L207 T241 E243 A244 L247 H268 V277E109-W270 HydrophobicContact CB-CZ2 3.92Å; E109-W270 HydrophobicContact CG-CZ2 4.37Å; E109-W270 WeakPolarHBondContact O-CZ2 3.46Å; E109-W270 PolarHBondContact OE2-NE1 3.14Å; A112-W270 HydrophobicContact CB-CH2 4.06Å; S113-W270 VanDerWaalsContact CA-CZ3 3.48Å; S113-W270 PolarHBondContact OG-O 3.23Å; I116-W270 HydrophobicContact CG2-CZ3 3.84Å; L203-W270 HydrophobicContact CD1-CH2 3.6Å; L203-W270 HydrophobicContact CD1-CZ3 3.56Å; L203-W270 HydrophobicContact CD2-CZ3 4.34Å; L207-W270 HydrophobicContact CD2-CH2 4.05Å; L207-W270 HydrophobicContact CD2-CZ2 3.84Å; T241-W270 PolarHBondContact OG1-NE1 2.79Å; E243-W270 HydrophobicContact CB-CB 3.94Å; E243-W270 HydrophobicContact CB-CG 4.34Å; A244-W270 HydrophobicContact CB-CD2 4.16Å; A244-W270 HydrophobicContact CB-CG 4.31Å; A244-W270 HydrophobicContact CB-CZ2 4.01Å; L247-W270 HydrophobicContact CD2-CE3 3.85Å; L247-W270 HydrophobicContact CD2-CZ3 4.44Å; H268-W270 VanDerWaalsContact C-N 3.28Å; H268-W270 WeakPolarHBondContact ND1-CB 3.5Å; H268-W270 PolarHBondContact ND1-N 2.78Å; H268-W270 PolarHBondContact O-N 3.18Å; W270-V277 HydrophobicContact CB-CG1 4.34Å
271V98.4Very high96.8Very high3 Ų356.6 Ų56.62%0.01830%0.304CS..Hα-helixtrans-95.5-56.7177.2-179.20000111I116 Q117 L247 L266 H268 P269I116-V271 HydrophobicContact CG2-CG2 4.22Å; Q117-V271 HydrophobicContact CB-CG1 3.89Å; Q117-V271 HydrophobicContact CG-CG1 3.95Å; L247-V271 HydrophobicContact CD2-CG2 3.64Å; L266-V271 HydrophobicContact CD2-CG1 4.43Å; H268-V271 WeakPolarHBondContact O-CA 3.49Å; H268-V271 PolarHBondContact O-N 2.8Å; P269-V271 PolarHBondContact O-N 2.96Å; P269-V271 VanDerWaalsContact O-N 3.13Å
272C97.3Very high96.5Very high72 Ų7256.4 Ų56.449%0.48630%0.299SS..Hα-helixtrans-80.8-20.7-170.770.80000114.1K267 H268K267-C272 PolarHBondContact O-SG 3.36Å; H268-C272 PolarHBondContact O-N 3.45Å; H268-C272 PolarHBondContact O-SG 3.31Å; H268-C272 VanDerWaalsContact O-SG 3.37Å
273Q96.7Very high96.2Very high101 Ų10157 Ų5747%0.47230%0.3SS..THydrogen-bonded Turntrans-116.233.4177-59.9172.317.400110.7P269 S275 T276 V277P269-Q273 CarbonylContact O-C 3.48Å; P269-Q273 WeakPolarHBondContact O-CA 3.45Å; P269-Q273 WeakPolarHBondContact O-CB 3.33Å; P269-Q273 PolarHBondContact O-N 3.41Å; Q273-S275 PolarHBondContact O-N 2.91Å; Q273-T276 PolarHBondContact O-N 2.79Å; Q273-T276 PolarHBondContact O-OG1 2.68Å; Q273-T276 VanDerWaalsContact O-OG1 3.11Å; Q273-V277 HydrophobicContact CB-CG2 3.85Å; Q273-V277 PolarHBondContact O-N 2.85Å
274R95.6Very high95.7Very high62 Ų6257.8 Ų57.823%0.23430%0.304CS..Hα-helixtrans-45.4-41.1-176.4172.9176.647.1-1073.7113.8A110 Q117 T276 A278A110-R274 HydrophobicContact CB-CG 3.96Å; A110-R274 WeakPolarHBondContact O-CD 3.34Å; Q117-R274 VanDerWaalsContact OE1-NH2 3.14Å; R274-T276 PolarHBondContact O-N 2.97Å; R274-A278 HydrophobicContact CG-CB 4.05Å; R274-A278 WeakPolarHBondContact O-CB 3.36Å; R274-A278 PolarHBondContact O-N 3.32Å; R274-A278 VanDerWaalsContact O-N 3.11Å
275S91.5Very high95.2Very high98 Ų9858.3 Ų58.369%0.68531%0.307SS*.Hα-helixtrans-65.2-21.4-17754.20000114.6Q273Q273-S275 PolarHBondContact O-N 2.91Å
276T93.4Very high94.7Very high109 Ų10958.5 Ų58.567%0.66931%0.308SS*.Hα-helixtrans-114.9-23.8-178.652.40000113.1Q273 R274Q273-T276 PolarHBondContact O-N 2.79Å; Q273-T276 PolarHBondContact O-OG1 2.68Å; Q273-T276 VanDerWaalsContact O-OG1 3.11Å; R274-T276 PolarHBondContact O-N 2.97Å
277V95.1Very high94.2Very high28 Ų2857.8 Ų57.817%0.1730%0.304CS..Hα-helixtrans-103.6-40.2-173.6-179.50000112.7E243 P269 W270 Q273E243-V277 HydrophobicContact CB-CG1 3.64Å; E243-V277 HydrophobicContact CG-CG1 3.58Å; P269-V277 HydrophobicContact CB-CG2 4.24Å; W270-V277 HydrophobicContact CB-CG1 4.34Å; Q273-V277 HydrophobicContact CB-CG2 3.85Å; Q273-V277 PolarHBondContact O-N 2.85Å
278A94.7Very high93.3Very high8 Ų855.8 Ų55.87%0.06630%0.297CS..SBendtrans-81.3137.2-176.900000110.8E109 A110 R274 M280E109-A278 HydrophobicContact CB-CB 4.15Å; A110-A278 HydrophobicContact CB-CB 4.28Å; R274-A278 HydrophobicContact CG-CB 4.05Å; R274-A278 WeakPolarHBondContact O-CB 3.36Å; R274-A278 PolarHBondContact O-N 3.32Å; R274-A278 VanDerWaalsContact O-N 3.11Å; A278-M280 PolarHBondContact O-N 2.9Å
279S94.9Very high92.5Very high29 Ų2956.8 Ų56.820%0.20331%0.306CS..  trans-64.8133.1178.4-1780000112.5E109 A110 M281E109-S279 WeakPolarHBondContact CB-O 3.38Å; E109-S279 PolarHBondContact N-O 2.78Å; E109-S279 VanDerWaalsContact N-O 3.17Å; A110-S279 PolarHBondContact N-O 3.33Å; S279-M281 VanDerWaalsContact C-N 3.3Å; S279-M281 WeakPolarHBondContact OG-CB 3.49Å; S279-M281 PolarHBondContact OG-N 3.01Å
280M94.5Very high91.8Very high112 Ų11254.3 Ų54.355%0.55229%0.29SS*.  trans-9522.3170.8-62.1-74.5-177.700111.3Y106 A110 A278Y106-M280 PolarHBondContact OH-O 2.73Å; A110-M280 HydrophobicContact CB-CE 3.62Å; A110-M280 HydrophobicContact CB-SD 3.48Å; A110-M280 WeakPolarHBondContact CB-SD 3.48Å; A278-M280 PolarHBondContact O-N 2.9Å
281M92.7Very high90.9Very high86 Ų8661 Ų6142%0.42432%0.319SS..  trans-80.2135173.8-166.9179.171.200109.5S108 T239 S279 R283S108-M281 WeakPolarHBondContact CB-O 3.44Å; T239-M281 HydrophobicContact CG2-CE 3.92Å; S279-M281 VanDerWaalsContact C-N 3.3Å; S279-M281 WeakPolarHBondContact OG-CB 3.49Å; S279-M281 PolarHBondContact OG-N 3.01Å; M281-R283 PolarHBondContact O-N 2.74Å
282H93.5Very high89.7Confident59 Ų5968.1 Ų68.127%0.27335%0.349SS..  trans-67.2132.6171.4-17430.2000110.5E105 Y106 Y107 Q284E105-H282 PolarHBondContact O-CE1 2.99Å; E105-H282 PolarHBondContact O-NE2 3.18Å; Y106-H282 HydrophobicContact CD2-CB 3.64Å; Y106-H282 AromaticContact CD2-CG 3.82Å; Y106-H282 HydrophobicContact CE2-CB 3.57Å; Y107-H282 PolarHBondContact N-CE1 3.48Å; Y107-H282 PolarHBondContact N-ND1 3.47Å; Y107-H282 WeakPolarHBondContact O-CA 3.34Å; Y107-H282 PolarHBondContact O-ND1 2.86Å; H282-Q284 PolarHBondContact NE2-OE1 3.23Å; H282-Q284 VanDerWaalsContact NE2-OE1 3.12Å
283R92Very high88.7Confident14 Ų1466 Ų665%0.05333%0.332CS..  trans-111.575.1-178.8-55.4-175.665.374.710.1111.5Y107 L207 E236 T239 M281 E285 T286 V287Y107-R283 PolarHBondContact O-N 2.89Å; L207-R283 PolarHBondContact O-NE 3.08Å; E236-R283 PolarHBondContact O-NH2 2.73Å; T239-R283 PolarHBondContact OG1-NH1 3.17Å; M281-R283 PolarHBondContact O-N 2.74Å; R283-E285 PolarHBondContact O-N 3.41Å; R283-T286 PolarHBondContact NE-OG1 3.3Å; R283-T286 WeakPolarHBondContact O-CB 3.36Å; R283-T286 PolarHBondContact O-N 3.03Å; R283-V287 PolarHBondContact O-N 3.26Å
284Q89Confident87.7Confident91 Ų9161.5 Ų61.543%0.42531%0.311SS..Hα-helixtrans-60.8-41.7-178.7-178.16034.800112.6H282 T286 V287 E288H282-Q284 PolarHBondContact NE2-OE1 3.23Å; H282-Q284 VanDerWaalsContact NE2-OE1 3.12Å; Q284-T286 VanDerWaalsContact C-N 3.31Å; Q284-T286 PolarHBondContact O-N 2.53Å; Q284-V287 WeakPolarHBondContact O-CB 3.44Å; Q284-V287 PolarHBondContact O-N 3.29Å; Q284-V287 VanDerWaalsContact O-N 3.1Å; Q284-E288 PolarHBondContact NE2-OE1 3.47Å; Q284-E288 PolarHBondContact O-N 3.42Å; Q284-E288 VanDerWaalsContact O-N 3.12Å
285E87.4Confident86.3Confident115 Ų11561.6 Ų61.654%0.53733%0.325SS..Hα-helixtrans-60-40.3178.2-67.1174.2177.900112.2R283 V287 E288 C289R283-E285 PolarHBondContact O-N 3.41Å; E285-V287 VanDerWaalsContact C-N 3.32Å; E285-V287 PolarHBondContact O-N 3.17Å; E285-E288 PolarHBondContact O-N 2.71Å; E285-C289 PolarHBondContact O-N 3.43Å
286T89.1Confident85.2Confident4 Ų461.9 Ų61.93%0.02531%0.311CS..Hα-helixtrans-57.8-44.9174.2-62.70000111.2Y107 L207 R283 Q284 E288 C289 L290Y107-T286 HydrophobicContact CD1-CG2 4.28Å; Y107-T286 HydrophobicContact CE1-CG2 4.06Å; L207-T286 WeakPolarHBondContact O-CG2 3.07Å; L207-T286 PolarHBondContact O-OG1 3.41Å; R283-T286 PolarHBondContact NE-OG1 3.3Å; R283-T286 WeakPolarHBondContact O-CB 3.36Å; R283-T286 PolarHBondContact O-N 3.03Å; Q284-T286 VanDerWaalsContact C-N 3.31Å; Q284-T286 PolarHBondContact O-N 2.53Å; T286-E288 VanDerWaalsContact C-N 3.33Å; T286-E288 PolarHBondContact O-N 3.11Å; T286-C289 PolarHBondContact O-N 2.92Å; T286-L290 VanDerWaalsContact O-CB 3.27Å; T286-L290 WeakPolarHBondContact O-CB 3.26Å; T286-L290 PolarHBondContact O-N 3.38Å
287V87.3Confident84.6Confident11 Ų1158 Ų587%0.06728%0.284CS..Hα-helixtrans-62.3-41.6179.9172.60000111Y107 R283 Q284 E285 L290 K291Y107-V287 HydrophobicContact CD1-CG2 4.37Å; Y107-V287 HydrophobicContact CG-CG2 4.48Å; R283-V287 PolarHBondContact O-N 3.26Å; Q284-V287 WeakPolarHBondContact O-CB 3.44Å; Q284-V287 PolarHBondContact O-N 3.29Å; Q284-V287 VanDerWaalsContact O-N 3.1Å; E285-V287 VanDerWaalsContact C-N 3.32Å; E285-V287 PolarHBondContact O-N 3.17Å; V287-L290 PolarHBondContact O-N 3.13Å; V287-K291 PolarHBondContact O-N 3.26Å
288E80.4Confident83.4Confident101 Ų10160.9 Ų60.947%0.47229%0.294SS..Hα-helixtrans-67.6-43.8177.9-69179.6-169.900113Q284 E285 T286 L290 K291 K292Q284-E288 PolarHBondContact NE2-OE1 3.47Å; Q284-E288 PolarHBondContact O-N 3.42Å; Q284-E288 VanDerWaalsContact O-N 3.12Å; E285-E288 PolarHBondContact O-N 2.71Å; T286-E288 VanDerWaalsContact C-N 3.33Å; T286-E288 PolarHBondContact O-N 3.11Å; E288-L290 VanDerWaalsContact C-N 3.3Å; E288-L290 PolarHBondContact O-N 2.81Å; E288-K291 WeakPolarHBondContact O-CB 3.44Å; E288-K291 PolarHBondContact O-N 3.3Å; E288-K292 PolarHBondContact O-N 3.49Å
289C81.9Confident81.5Confident37 Ų3765.5 Ų65.525%0.2532%0.317CS..Hα-helixtrans-60-43173.4-76.40000111.1V208 G209 E285 T286 K291 K292 F293V208-C289 WeakPolarHBondContact O-CB 3.11Å; G209-C289 CarbonylContact O-C 3.29Å; E285-C289 PolarHBondContact O-N 3.43Å; T286-C289 PolarHBondContact O-N 2.92Å; C289-K291 VanDerWaalsContact C-N 3.33Å; C289-K291 PolarHBondContact O-N 3.5Å; C289-K292 WeakPolarHBondContact O-CB 3.26Å; C289-K292 PolarHBondContact O-N 3.26Å; C289-K292 VanDerWaalsContact O-N 3.17Å; C289-F293 PolarHBondContact O-N 3.34Å
290L83.8Confident79.9Confident0 Ų069 Ų690%033%0.329CS..Hα-helixtrans-65.7-35.7179.8-162.566.1000112.7F98 I101 V102 I205 T286 V287 E288 K292 F293 N294F98-L290 HydrophobicContact CD1-CD1 3.41Å; F98-L290 VanDerWaalsContact CD1-CD1 3.41Å; F98-L290 HydrophobicContact CD1-CD2 3.9Å; F98-L290 HydrophobicContact CD1-CG 4.04Å; F98-L290 HydrophobicContact CE1-CD1 3.8Å; I101-L290 HydrophobicContact CB-CD2 3.86Å; I101-L290 HydrophobicContact CD1-CD2 4.47Å; I101-L290 HydrophobicContact CG2-CD2 3.51Å; V102-L290 HydrophobicContact CG2-CB 3.94Å; V102-L290 HydrophobicContact CG2-CD2 3.98Å; V102-L290 HydrophobicContact CG2-CG 3.95Å; I205-L290 HydrophobicContact CG2-CD1 3.73Å; T286-L290 VanDerWaalsContact O-CB 3.27Å; T286-L290 WeakPolarHBondContact O-CB 3.26Å; T286-L290 PolarHBondContact O-N 3.38Å; V287-L290 PolarHBondContact O-N 3.13Å; E288-L290 VanDerWaalsContact C-N 3.3Å; E288-L290 PolarHBondContact O-N 2.81Å; L290-K292 PolarHBondContact O-N 2.9Å; L290-F293 HydrophobicContact CD1-CD1 4.02Å; L290-F293 PolarHBondContact O-N 3.21Å; L290-N294 WeakPolarHBondContact O-CB 3.43Å; L290-N294 PolarHBondContact O-N 2.98Å
291K78.9Confident78Confident142 Ų14265 Ų6562%0.61732%0.316SS*.Hα-helixtrans-59.2-45.3172.4-172.2173.5-178.9177.90111.8V102 V287 E288 C289 A295V102-K291 HydrophobicContact CG1-CB 3.71Å; V102-K291 HydrophobicContact CG1-CD 4.11Å; V102-K291 HydrophobicContact CG1-CG 3.84Å; V102-K291 HydrophobicContact CG2-CB 4.26Å; V287-K291 PolarHBondContact O-N 3.26Å; E288-K291 WeakPolarHBondContact O-CB 3.44Å; E288-K291 PolarHBondContact O-N 3.3Å; C289-K291 VanDerWaalsContact C-N 3.33Å; C289-K291 PolarHBondContact O-N 3.5Å; K291-A295 PolarHBondContact O-N 3.24Å; K291-A295 VanDerWaalsContact O-N 3.09Å
292K73.5Confident75.9Confident151 Ų15163.4 Ų63.466%0.65732%0.317SS*.Hα-helixtrans-64.8-43.5176.3-66.2174.2-176.41700111.3E288 C289 L290 A295 R296E288-K292 PolarHBondContact O-N 3.49Å; C289-K292 WeakPolarHBondContact O-CB 3.26Å; C289-K292 PolarHBondContact O-N 3.26Å; C289-K292 VanDerWaalsContact O-N 3.17Å; L290-K292 PolarHBondContact O-N 2.9Å; K292-A295 PolarHBondContact O-N 3.49Å; K292-R296 WeakPolarHBondContact O-CB 3.41Å; K292-R296 PolarHBondContact O-N 3.16Å
293F77.7Confident73.5Confident29 Ų2962.3 Ų62.313%0.12731%0.313CS..Hα-helixtrans-58.9-48.5177.1172.5-97.4000112.1P138 I205 G209 P211 C289 L290 R296 R297P138-F293 HydrophobicContact CG-CE1 4.11Å; P138-F293 HydrophobicContact CG-CZ 4.3Å; I205-F293 HydrophobicContact CD1-CE2 4.39Å; I205-F293 HydrophobicContact CD1-CZ 4.01Å; I205-F293 HydrophobicContact CG2-CD1 4.24Å; I205-F293 HydrophobicContact CG2-CE1 4.07Å; I205-F293 HydrophobicContact CG2-CZ 4.27Å; G209-F293 VanDerWaalsContact O-CB 3.31Å; G209-F293 WeakPolarHBondContact O-CB 3.34Å; P211-F293 HydrophobicContact CG-CE2 4.47Å; C289-F293 PolarHBondContact O-N 3.34Å; L290-F293 HydrophobicContact CD1-CD1 4.02Å; L290-F293 PolarHBondContact O-N 3.21Å; F293-R296 PolarHBondContact O-N 3.36Å; F293-R297 VanDerWaalsContact O-CB 3.32Å; F293-R297 WeakPolarHBondContact O-CB 3.36Å; F293-R297 PolarHBondContact O-N 3.16Å
294N73.8Confident71.2Confident5 Ų566.4 Ų66.43%0.02734%0.335CS..Hα-helixtrans-60.9-46.4178.2-80.6-13.7000112.3F98 E99 L290 R296 R297 K298F98-N294 VanDerWaalsContact C-ND2 3.34Å; F98-N294 WeakPolarHBondContact CB-OD1 3.22Å; F98-N294 PolarHBondContact O-ND2 2.95Å; E99-N294 WeakPolarHBondContact OE1-CB 3.31Å; E99-N294 VanDerWaalsContact OE1-CG 3.23Å; E99-N294 PolarHBondContact OE1-ND2 3.33Å; L290-N294 WeakPolarHBondContact O-CB 3.43Å; L290-N294 PolarHBondContact O-N 2.98Å; N294-R296 VanDerWaalsContact C-N 3.35Å; N294-R296 PolarHBondContact O-N 3.26Å; N294-R297 PolarHBondContact O-N 2.85Å; N294-K298 WeakPolarHBondContact O-CB 3.42Å; N294-K298 PolarHBondContact O-N 3.32Å
295A66.7Low68.8Low64 Ų6464.9 Ų64.953%0.52933%0.332SS..Hα-helixtrans-58.9-46.5176.600000111.5K291 K292 R297 L299K291-A295 PolarHBondContact O-N 3.24Å; K291-A295 VanDerWaalsContact O-N 3.09Å; K292-A295 PolarHBondContact O-N 3.49Å; A295-R297 PolarHBondContact O-N 3.01Å; A295-L299 WeakPolarHBondContact O-CB 3.46Å; A295-L299 PolarHBondContact O-N 3.23Å
296R69.3Low66.2Low105 Ų10562.4 Ų62.440%0.39633%0.325SS..Hα-helixtrans-62.1-44.1178-171.5-179.6-166.7-176.27.1112W214 K292 F293 N294 K300W214-R296 VanDerWaalsContact CZ2-CZ 3.45Å; W214-R296 VanDerWaalsContact CZ2-NH1 3.27Å; K292-R296 WeakPolarHBondContact O-CB 3.41Å; K292-R296 PolarHBondContact O-N 3.16Å; F293-R296 PolarHBondContact O-N 3.36Å; N294-R296 VanDerWaalsContact C-N 3.35Å; N294-R296 PolarHBondContact O-N 3.26Å; R296-K300 WeakPolarHBondContact O-CG 3.36Å; R296-K300 PolarHBondContact O-N 3.14Å
297R79.6Confident63.5Low28 Ų2864.8 Ų64.811%0.10634%0.336CS..Hα-helixtrans-66.4-47.9-179.5-178.3178.568.477.5-2.1111.7E96 E139 F293 N294 A295 L299 K300 G301E96-R297 IonicContact OE2-CZ 2.7Å; E96-R297 VanDerWaalsContact OE2-CZ 3.27Å; E96-R297 IonicContact OE2-NH1 3.03Å; E96-R297 PolarHBondContact OE2-NH1 3.43Å; E96-R297 IonicContact OE2-NH2 3.66Å; E96-R297 PolarHBondContact OE2-NH2 3.4Å; E139-R297 WeakPolarHBondContact OE1-CD 3.49Å; E139-R297 WeakPolarHBondContact OE1-CG 3.28Å; E139-R297 IonicContact OE1-CZ 3.51Å; E139-R297 IonicContact OE1-NE 2.78Å; E139-R297 IonicContact OE1-NH1 3.93Å; E139-R297 PolarHBondContact OE1-NH1 3.48Å; E139-R297 IonicContact OE2-NH1 3.06Å; F293-R297 VanDerWaalsContact O-CB 3.32Å; F293-R297 WeakPolarHBondContact O-CB 3.36Å; F293-R297 PolarHBondContact O-N 3.16Å; N294-R297 PolarHBondContact O-N 2.85Å; A295-R297 PolarHBondContact O-N 3.01Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-L299 PolarHBondContact O-N 2.87Å; R297-K300 PolarHBondContact O-N 3.41Å; R297-G301 PolarHBondContact O-N 3.17Å
298K69.8Low60.9Low87 Ų8766.6 Ų66.638%0.37835%0.346SS..Hα-helixtrans-62-40.5176.5-77.6-173.4174.1176.80112E99 N294 G301 A302E99-K298 VanDerWaalsContact CD-CE 3.49Å; E99-K298 WeakPolarHBondContact OE1-CE 3.18Å; E99-K298 IonicContact OE1-NZ 2.86Å; E99-K298 PolarHBondContact OE1-NZ 3.13Å; E99-K298 IonicContact OE2-NZ 2.62Å; E99-K298 PolarHBondContact OE2-NZ 2.97Å; N294-K298 WeakPolarHBondContact O-CB 3.42Å; N294-K298 PolarHBondContact O-N 3.32Å; K298-G301 PolarHBondContact O-N 3.5Å; K298-A302 WeakPolarHBondContact O-CB 3.19Å; K298-A302 PolarHBondContact O-N 3.24Å
299L56.2Low58.5Low105 Ų10562.9 Ų62.955%0.5533%0.329SS..Hα-helixtrans-60.5-51.5174.2-17960.5000110.7A295 R297 G301 A302 I303A295-L299 WeakPolarHBondContact O-CB 3.46Å; A295-L299 PolarHBondContact O-N 3.23Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-L299 PolarHBondContact O-N 2.87Å; L299-G301 PolarHBondContact O-N 3.29Å; L299-A302 PolarHBondContact O-N 3.19Å; L299-I303 HydrophobicContact CD1-CD1 4.08Å; L299-I303 HydrophobicContact CD1-CG1 4.46Å; L299-I303 HydrophobicContact CG-CD1 4.02Å; L299-I303 VanDerWaalsContact O-CD1 3.32Å; L299-I303 WeakPolarHBondContact O-CD1 3.16Å; L299-I303 WeakPolarHBondContact O-CG1 3Å; L299-I303 PolarHBondContact O-N 3.12Å; L299-I303 VanDerWaalsContact O-N 3.09Å
300K60.1Low55.9Low104 Ų10462.3 Ų62.345%0.45233%0.326SS..Hα-helixtrans-59.4-43.1176.8-74.4-173.8175.8-168.80112.6R296 R297 I303 L304R296-K300 WeakPolarHBondContact O-CG 3.36Å; R296-K300 PolarHBondContact O-N 3.14Å; R297-K300 PolarHBondContact O-N 3.41Å; K300-I303 WeakPolarHBondContact O-CB 3.22Å; K300-I303 PolarHBondContact O-N 3.38Å; K300-L304 PolarHBondContact O-N 3.3Å
301G55.4Low53.5Low27 Ų2766.9 Ų66.928%0.27834%0.343SS..Hα-helixtrans-69.1-38-179.500000113.9R297 K298 L299 I303 L304 T305R297-G301 PolarHBondContact O-N 3.17Å; K298-G301 PolarHBondContact O-N 3.5Å; L299-G301 PolarHBondContact O-N 3.29Å; G301-I303 VanDerWaalsContact C-N 3.33Å; G301-L304 PolarHBondContact O-N 3.28Å; G301-T305 VanDerWaalsContact O-CB 3.3Å; G301-T305 WeakPolarHBondContact O-CB 3.37Å; G301-T305 PolarHBondContact O-N 3.07Å; G301-T305 PolarHBondContact O-OG1 2.92Å
302A47.9Very low51.1Low53 Ų5360.8 Ų60.844%0.43832%0.317SS..Hα-helixtrans-64.5-40.4173.100000110.7K298 L299 T305 T306K298-A302 WeakPolarHBondContact O-CB 3.19Å; K298-A302 PolarHBondContact O-N 3.24Å; L299-A302 PolarHBondContact O-N 3.19Å; A302-T305 PolarHBondContact O-N 3.03Å; A302-T306 WeakPolarHBondContact O-CB 3.48Å; A302-T306 PolarHBondContact O-N 2.65Å; A302-T306 PolarHBondContact O-OG1 3.11Å
303I43.3Very low48.9Very low35 Ų3560.3 Ų60.318%0.17932%0.316CS..Hα-helixtrans-61.6-51.5176-64.5167000110.6L299 K300 G301 T305 T306 M307 K412L299-I303 HydrophobicContact CD1-CD1 4.08Å; L299-I303 HydrophobicContact CD1-CG1 4.46Å; L299-I303 HydrophobicContact CG-CD1 4.02Å; L299-I303 VanDerWaalsContact O-CD1 3.32Å; L299-I303 WeakPolarHBondContact O-CD1 3.16Å; L299-I303 WeakPolarHBondContact O-CG1 3Å; L299-I303 PolarHBondContact O-N 3.12Å; L299-I303 VanDerWaalsContact O-N 3.09Å; K300-I303 WeakPolarHBondContact O-CB 3.22Å; K300-I303 PolarHBondContact O-N 3.38Å; G301-I303 VanDerWaalsContact C-N 3.33Å; I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 PolarHBondContact O-N 3.24Å; I303-T306 PolarHBondContact O-N 3.48Å; I303-M307 HydrophobicContact CG2-CE 3.62Å; I303-M307 HydrophobicContact CG2-SD 3.94Å; I303-M307 WeakPolarHBondContact O-CB 3.31Å; I303-M307 VanDerWaalsContact O-CG 3.23Å; I303-M307 WeakPolarHBondContact O-CG 3.48Å; I303-M307 PolarHBondContact O-N 3.01Å; I303-K412 HydrophobicContact CD1-CD 4.19Å; I303-K412 HydrophobicContact CG1-CD 4.49Å; I303-K412 VanDerWaalsContact CG1-CE 3.42Å; I303-K412 VanDerWaalsContact CG1-NZ 3.28Å; I303-K412 HydrophobicContact CG2-CD 4.49Å
304L44.3Very low46.6Very low100 Ų10060.6 Ų60.652%0.52432%0.321SS..Hα-helixtrans-60.7-39.4176.3-88.3148.4000112.7K300 G301 M307 L308K300-L304 PolarHBondContact O-N 3.3Å; G301-L304 PolarHBondContact O-N 3.28Å; L304-M307 CarbonylContact O-C 3.46Å; L304-M307 WeakPolarHBondContact O-CB 3.46Å; L304-M307 PolarHBondContact O-N 3.04Å; L304-L308 WeakPolarHBondContact O-CB 3.34Å; L304-L308 WeakPolarHBondContact O-CD1 3.42Å; L304-L308 WeakPolarHBondContact O-CG 3.26Å; L304-L308 PolarHBondContact O-N 3.13Å; L304-L308 VanDerWaalsContact O-N 3.08Å
305T39.3Very low44.4Very low60 Ų6063.6 Ų63.637%0.36834%0.34SS..Hα-helixtrans-69-41.2177.5-590000111.3G301 A302 I303 M307 L308 V309G301-T305 VanDerWaalsContact O-CB 3.3Å; G301-T305 WeakPolarHBondContact O-CB 3.37Å; G301-T305 PolarHBondContact O-N 3.07Å; G301-T305 PolarHBondContact O-OG1 2.92Å; A302-T305 PolarHBondContact O-N 3.03Å; I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 PolarHBondContact O-N 3.24Å; T305-M307 VanDerWaalsContact C-N 3.28Å; T305-M307 PolarHBondContact O-N 3.19Å; T305-L308 CarbonylContact O-C 3.51Å; T305-L308 PolarHBondContact O-N 3.12Å; T305-V309 HydrophobicContact CG2-CG2 3.62Å; T305-V309 VanDerWaalsContact O-CB 3.27Å; T305-V309 WeakPolarHBondContact O-CB 3.35Å; T305-V309 WeakPolarHBondContact O-CG2 3.39Å; T305-V309 PolarHBondContact O-N 2.91Å
306T31Very low42.7Very low63 Ų6363.4 Ų63.439%0.38734%0.343SS..Hα-helixtrans-58.6-43.3171.3-61.30000110.3A302 I303 L308 S310 E419A302-T306 WeakPolarHBondContact O-CB 3.48Å; A302-T306 PolarHBondContact O-N 2.65Å; A302-T306 PolarHBondContact O-OG1 3.11Å; I303-T306 PolarHBondContact O-N 3.48Å; T306-L308 PolarHBondContact O-N 3.49Å; T306-S310 PolarHBondContact O-N 3.45Å; T306-S310 PolarHBondContact O-OG 3.42Å; T306-E419 VanDerWaalsContact O-OE1 3.09Å
307M33.5Very low40.7Very low53 Ų5369.5 Ų69.526%0.26137%0.367SS..Hα-helixtrans-63.1-14.2173.3-69.1170171.800115.4I303 L304 T305 E415 E419I303-M307 HydrophobicContact CG2-CE 3.62Å; I303-M307 HydrophobicContact CG2-SD 3.94Å; I303-M307 WeakPolarHBondContact O-CB 3.31Å; I303-M307 VanDerWaalsContact O-CG 3.23Å; I303-M307 WeakPolarHBondContact O-CG 3.48Å; I303-M307 PolarHBondContact O-N 3.01Å; L304-M307 CarbonylContact O-C 3.46Å; L304-M307 WeakPolarHBondContact O-CB 3.46Å; L304-M307 PolarHBondContact O-N 3.04Å; T305-M307 VanDerWaalsContact C-N 3.28Å; T305-M307 PolarHBondContact O-N 3.19Å; M307-E415 HydrophobicContact CE-CB 4.26Å; M307-E415 WeakPolarHBondContact CE-OE2 3.42Å; M307-E419 WeakPolarHBondContact CA-OE1 2.99Å; M307-E419 VanDerWaalsContact CA-OE2 3.23Å; M307-E419 WeakPolarHBondContact CA-OE2 3.25Å
308L33Very low38.3Very low50 Ų5077.6 Ų77.626%0.26241%0.406SS..Hα-helixtrans-114.7-26.1-177.4-73.5169.1000113.4A23 L304 T305 T306 R311 N312 T377A23-L308 HydrophobicContact CB-CB 4.47Å; L304-L308 WeakPolarHBondContact O-CB 3.34Å; L304-L308 WeakPolarHBondContact O-CD1 3.42Å; L304-L308 WeakPolarHBondContact O-CG 3.26Å; L304-L308 PolarHBondContact O-N 3.13Å; L304-L308 VanDerWaalsContact O-N 3.08Å; T305-L308 CarbonylContact O-C 3.51Å; T305-L308 PolarHBondContact O-N 3.12Å; T306-L308 PolarHBondContact O-N 3.49Å; L308-R311 WeakPolarHBondContact O-CB 3.35Å; L308-N312 PolarHBondContact O-ND2 2.8Å; L308-T377 HydrophobicContact CD2-CG2 4.27Å
309V29.4Very low36.4Very low22 Ų2279.8 Ų79.813%0.13343%0.426CS..Hα-helixtrans-86.9-38.5-178.5165.50000110.7K21 T305 R311 N312 F313K21-V309 HydrophobicContact CD-CG1 4Å; K21-V309 HydrophobicContact CD-CG2 4.09Å; K21-V309 VanDerWaalsContact CE-CG1 3.44Å; K21-V309 HydrophobicContact CG-CG2 4.18Å; T305-V309 HydrophobicContact CG2-CG2 3.62Å; T305-V309 VanDerWaalsContact O-CB 3.27Å; T305-V309 WeakPolarHBondContact O-CB 3.35Å; T305-V309 WeakPolarHBondContact O-CG2 3.39Å; T305-V309 PolarHBondContact O-N 2.91Å; V309-R311 PolarHBondContact O-N 2.86Å; V309-N312 PolarHBondContact O-N 2.86Å; V309-F313 PolarHBondContact O-N 3.43Å
310S28.3Very low35.3Very low25 Ų2581.3 Ų81.318%0.17544%0.44CS..Hα-helixtrans-61-36.9171.6-26.50000108.3T306 N312 F313 S314 E419 N423T306-S310 PolarHBondContact O-N 3.45Å; T306-S310 PolarHBondContact O-OG 3.42Å; S310-N312 PolarHBondContact O-N 3.2Å; S310-F313 PolarHBondContact O-N 2.86Å; S310-S314 PolarHBondContact O-OG 3.26Å; S310-E419 WeakPolarHBondContact CB-OE1 3.48Å; S310-E419 PolarHBondContact OG-OE1 3.26Å; S310-N423 WeakPolarHBondContact O-CB 3.49Å; S310-N423 PolarHBondContact O-ND2 3.14Å; S310-N423 PolarHBondContact O-OD1 3.16Å
311R32.1Very low33.7Very low97 Ų9780.8 Ų80.837%0.36646%0.455SS..Hα-helixtrans-49-19.6168.6-148.9-177.778.8171.82.2116.3L308 V309 E419 N423L308-R311 WeakPolarHBondContact O-CB 3.35Å; V309-R311 PolarHBondContact O-N 2.86Å; R311-E419 PolarHBondContact N-OE1 3.31Å; R311-E419 VanDerWaalsContact N-OE1 3.1Å; R311-N423 WeakPolarHBondContact CA-ND2 3.24Å; R311-N423 VanDerWaalsContact CA-OD1 3.26Å; R311-N423 WeakPolarHBondContact CA-OD1 3.32Å; R311-N423 PolarHBondContact N-ND2 2.76Å
312N28.4Very low32.6Very low14 Ų1485.4 Ų85.48%0.07548%0.48CS..Hα-helixtrans-114.4-20-173-81.3-70.2000114.6A23 F24 K48 L308 V309 S310 S314A23-N312 VanDerWaalsContact C-ND2 3.3Å; A23-N312 WeakPolarHBondContact O-CB 3.25Å; A23-N312 PolarHBondContact O-ND2 3.14Å; F24-N312 WeakPolarHBondContact CD1-OD1 3.48Å; F24-N312 VanDerWaalsContact CE1-OD1 3.25Å; F24-N312 WeakPolarHBondContact CE1-OD1 3.49Å; K48-N312 PolarHBondContact NZ-O 3.46Å; L308-N312 PolarHBondContact O-ND2 2.8Å; V309-N312 PolarHBondContact O-N 2.86Å; S310-N312 PolarHBondContact O-N 3.2Å; N312-S314 VanDerWaalsContact C-N 3.28Å; N312-S314 PolarHBondContact O-N 3.21Å
313F27.9Very low31.8Very low141 Ų14187.5 Ų87.562%0.61850%0.498SS*.Hα-helixtrans-77.7-14.9-178.3-119.3-97.2000113.8V309 S310 V315V309-F313 PolarHBondContact O-N 3.43Å; S310-F313 PolarHBondContact O-N 2.86Å; F313-V315 PolarHBondContact O-N 3.46Å
314S28.9Very low31Very low35 Ų3590.8 Ų90.825%0.24553%0.53CS..THydrogen-bonded Turntrans-61-18.3172.4-32.80000115.4S310 N312 N423S310-S314 PolarHBondContact O-OG 3.26Å; N312-S314 VanDerWaalsContact C-N 3.28Å; N312-S314 PolarHBondContact O-N 3.21Å; S314-N423 WeakPolarHBondContact CA-O 3.5Å; S314-N423 WeakPolarHBondContact CB-O 3.37Å; S314-N423 WeakPolarHBondContact OG-CA 3.31Å; S314-N423 WeakPolarHBondContact OG-CB 3.41Å; S314-N423 PolarHBondContact OG-O 3.29Å; S314-N423 PolarHBondContact OG-OD1 2.99Å
315V29Very low30.3Very low68 Ų6892.4 Ų92.441%0.41254%0.544SS..SBendtrans-112.542.5-166.7-170.80000111.1K48 F313K48-V315 HydrophobicContact CD-CB 4.06Å; K48-V315 HydrophobicContact CD-CG1 4.25Å; K48-V315 WeakPolarHBondContact CE-O 3.42Å; K48-V315 HydrophobicContact CG-CB 4.35Å; K48-V315 HydrophobicContact CG-CG1 3.98Å; K48-V315 PolarHBondContact NZ-O 3.45Å; F313-V315 PolarHBondContact O-N 3.46Å
316G30.5Very low29.7Very low59 Ų5995.3 Ų95.361%0.60857%0.566SS**  trans166.390.5167.400000118
317R27.3Very low29.4Very low234 Ų23496.1 Ų96.188%0.88359%0.587SS**  trans-142.299139.1-108.6-177.7175.9179.4-0.9109.3
318Q28.1Very low29.1Very low198 Ų198100.4 Ų100.493%0.92562%0.616SS**  trans-125.7106.7149-86.3-172.6-4.600107.3
319T30.7Very low28.7Very low132 Ų132102.9 Ų102.981%0.8164%0.644SS**  trans-82.1122.216242.20000108.3
320T32.3Very low28.6Very low138 Ų138105.5 Ų105.585%0.84768%0.676SS**  trans-73.8153.4161.248.80000108.5
321A27.8Very low28.5Very low92 Ų92111 Ų11176%0.7671%0.708SS**  cis-164.2-163.536.500000109.2
322P32.3Very low28.3Very low124 Ų124112.8 Ų112.881%0.80573%0.73SS**  cis-126.1178.4-19.335.2-15.8000113.5
323A30.1Very low28.2Very low98 Ų98117 Ų11781%0.8177%0.767SS**  trans-65.9145.5179.100000114.7
324A26.3Very low28.1Very low104 Ų104113.6 Ų113.686%0.8677%0.772SS**  trans-140.3137.3150.100000109.6
325V29Very low28Very low133 Ų133120.3 Ų120.381%0.80680%0.803SS**  trans-97.8157-172177.50000109.9
326S27.4Very low27.8Very low121 Ų121122.9 Ų122.985%0.84682%0.819SS**  trans100.7132154.577.60000118.4
327G25.5Very low27.5Very low80 Ų80128.5 Ų128.583%0.82583%0.829SS**  trans151.7105.6164.800000114.2
328V25.6Very low27.4Very low143 Ų143126.7 Ų126.787%0.86783%0.83SS**  trans-94.7150.8-169.2165.90000112.9
329A25.3Very low27.2Very low102 Ų102121.6 Ų121.684%0.84382%0.822SS**  trans62.6136.6149.700000122.7
330G26.9Very low27Very low78 Ų78125.4 Ų125.480%0.80483%0.828SS**  trans171.479159.200000113.9
331T26.1Very low26.7Very low139 Ų139123.8 Ų123.885%0.85382%0.822SS**  trans-59141.3168.131.80000114.1
332T27.7Very low26.5Very low136 Ų136127.5 Ų127.583%0.83483%0.828SS**  trans-173108.1134.925.70000107.4
333A27.1Very low26.1Very low103 Ų103129.1 Ų129.185%0.85183%0.829SS**  67.31179200000113.1
334G25Very low25.9Very low69 Ų69131.2 Ų131.271%0.71183%0.827SS**  trans-79.6-175.4-167.400000115.8
335I26.9Very low25.9Very low176 Ų176136.2 Ų136.290%0.90383%0.829SS**  trans-170.4142.2144.2-92.8147.3000108.1
336V25.6Very low25.8Very low122 Ų122138.3 Ų138.374%0.73983%0.827SS**  trans-81.6163.4-177.8164.70000110.8
337E24.6Very low25.7Very low177 Ų177137.6 Ų137.683%0.82783%0.829SS**  trans79.9113.1159.1-99.9-179.916500118.5
338Q25.9Very low25.6Very low195 Ų195139.5 Ų139.591%0.91182%0.82SS**  -173.8113.9105.7-99.91754.500111.4
339A23.2Very low25.6Very low92 Ų92139.7 Ų139.776%0.7682%0.822SS**  trans-114.2128.9154.500000107.1
340K26.1Very low25.5Very low211 Ų211143.6 Ų143.692%0.91782%0.82SS**  trans-178147.6142.1-105.3165.8-173.81760115.7
341S25.3Very low25.9Very low104 Ų104145.2 Ų145.273%0.72782%0.816SS**  trans93126.1161.797.10000114.5
342L24.5Very low25.7Very low170 Ų170148 Ų14889%0.8982%0.819SS**  cis-138142.342.3-71.2157.8000114
343L24.9Very low25.5Very low159 Ų159147.1 Ų147.183%0.83281%0.814SS**  trans-99.3139.1169.2-89156000109.6
344N25.7Very low25.4Very low141 Ų141149.6 Ų149.675%0.75481%0.813SS**  147.8120.6120.9-89.5-17.9000112.8
345K26.5Very low25.4Very low210 Ų210151.6 Ų151.691%0.91382%0.816SS**  -163.4123.5108.3-102.3172.4-177.11790110.1
346K26.3Very low25.3Very low176 Ų176148.9 Ų148.977%0.76581%0.807SS**  trans-74.5151.6170.5-83.5-176166.9-162.80111.2D348K346-D348 IonicContact NZ-OD2 2.8Å
347A24.1Very low25.4Very low107 Ų107155 Ų15588%0.88482%0.817SS**  trans-143.3122.6131.900000109.1
348D25.4Very low25.4Very low120 Ų120153.2 Ų153.264%0.64281%0.813SS**  trans-79140.4175.5-104.7-62.6000110.7K346K346-D348 IonicContact NZ-OD2 2.8Å
349V23.8Very low25.3Very low147 Ų147149.7 Ų149.789%0.89181%0.811SS**  trans-159.1125132.8-179.70000109.2
350K24.8Very low25.4Very low184 Ų184152.6 Ų152.680%0.881%0.812SS**  trans-105.2-174.7166.7-82.4-174.5169.2-179.80109.4
351P34.1Very low25.3Very low112 Ų112149 Ų14973%0.72781%0.807SS**  -126171.9-73.237.5-19.8000110.9
352Q22.5Very low25.3Very low196 Ų196149.6 Ų149.692%0.91681%0.806SS**  trans-145.5123.4160.7-117175.9-1.800113
353T23.7Very low25.2Very low119 Ų119147.1 Ų147.173%0.7380%0.803SS**  trans-83.4150.2176.946.70000111.8
354N24Very low25.3Very low155 Ų155145.5 Ų145.583%0.82980%0.803SS**  trans166.6140.3143-85.4-12.4000106.5
355S26.3Very low25.3Very low110 Ų110149 Ų14977%0.76981%0.811SS**  cis-171.4150.80.329.10000107.8
356T23.8Very low25.3Very low119 Ų119142.3 Ų142.373%0.7380%0.802SS**  trans-59.3143-179.8-34.90000114.4
357R27.5Very low25.3Very low250 Ų250142.3 Ų142.394%0.94381%0.81SS**  trans-145.6113.4143.9-119.7-177.7-172.5170.63.2111.4
358N24.5Very low25.5Very low140 Ų140143.3 Ų143.375%0.74981%0.805SS**  trans-72.3146.4169.9-75.2-20.9000111
359S25Very low25.6Very low122 Ų122143.5 Ų143.585%0.85381%0.812SS**  trans-149.6113.5144.654.90000110.7
360I24.4Very low25.6Very low152 Ų152142.2 Ų142.278%0.77981%0.81SS**  trans-71.2134.4170.4-68.4160.3000109.2
361V23.6Very low25.6Very low136 Ų136137.8 Ų137.882%0.82481%0.808SS**  trans-144140147.7-177.10000110.6
362T25.3Very low25.2Very low116 Ų116137 Ų13771%0.71281%0.811SS**  trans-61.3148.4-168.743.80000118.7
363S23Very low25.3Very low118 Ų118135.5 Ų135.583%0.82581%0.808SS**  trans-69.3157.4163.5-410000113
364P27.8Very low25.4Very low126 Ų126136 Ų13682%0.81880%0.802SS**  trans-122.9137.3135.714.35000112.1
365K25.8Very low25.6Very low215 Ų215133.7 Ų133.794%0.93580%0.796SS**  trans-64.8135.8166.9-73.2177.4173.81780110.1
366G25.3Very low25.8Very low69 Ų69134.3 Ų134.371%0.71179%0.786SS**  trans-158.6109.1164.300000109.7V368G366-V368 PolarHBondContact O-N 3.39Å
367N27.7Very low26.4Very low176 Ų176131.8 Ų131.894%0.94177%0.771SS**  trans-69.5116.7174.4-101.517.6000109.8
368V27.6Very low27Very low127 Ų127122.7 Ų122.777%0.7774%0.743SS**  trans-140.3133.5162.2-173.40000107.2G366 S370G366-V368 PolarHBondContact O-N 3.39Å; V368-S370 PolarHBondContact O-N 3.25Å
369P26.5Very low27.9Very low124 Ų124118.5 Ų118.581%0.80572%0.723SS**PPolyproline II helixtrans-65.1135.4-17724.6-31.6000111.4A371P369-A371 PolarHBondContact O-N 2.89Å
370S24.1Very low28.6Very low121 Ų121115.9 Ų115.985%0.84670%0.699SS**PPolyproline II helixtrans-59.9121.5-178.8-158.90000111V368 A372V368-S370 PolarHBondContact O-N 3.25Å; S370-A372 PolarHBondContact O-N 3.09Å
371A24.4Very low29.3Very low91 Ų91114.1 Ų114.175%0.75269%0.687SS**PPolyproline II helixtrans-67.7123.8172.800000109.4P369 L373P369-A371 PolarHBondContact O-N 2.89Å; A371-L373 PolarHBondContact O-N 3.28Å
372A25.9Very low29.9Very low96 Ų96112.8 Ų112.879%0.79368%0.675SS**PPolyproline II helixtrans-61127.1177.300000110.7S370 E374S370-A372 PolarHBondContact O-N 3.09Å; A372-E374 PolarHBondContact O-N 3.18Å
373L25.5Very low30.1Very low164 Ų164110.4 Ų110.486%0.85966%0.661SS**PPolyproline II helixtrans-55.3127176.7-76.2147.6000111.1A371A371-L373 PolarHBondContact O-N 3.28Å
374E25.9Very low30.6Very low129 Ų129111.6 Ų111.660%0.60366%0.664SS**PPolyproline II helixtrans-74.3145.2170-64-174.3146.800110.3A372 Q376A372-E374 PolarHBondContact O-N 3.18Å; E374-Q376 PolarHBondContact O-N 3.42Å
375P26.9Very low30.8Very low107 Ų107113.5 Ų113.570%0.69567%0.667SS**  trans-77.5106.9177.830-30.2000109.9
376Q31.3Very low31.1Very low122 Ų122106.5 Ų106.557%0.5766%0.655SS**  trans-101.5156.5163.9-65-174.6-1000108.7E374 V379 H471E374-Q376 PolarHBondContact O-N 3.42Å; Q376-V379 HydrophobicContact CB-CG2 4.17Å; Q376-H471 PolarHBondContact O-CD2 3.49Å; Q376-H471 PolarHBondContact O-NE2 2.86Å
377T37.4Very low31.3Very low67 Ų67111.1 Ų111.141%0.41166%0.662SS.*  trans-103.7156.8171.842.10000109.2L308 V379L308-T377 HydrophobicContact CD2-CG2 4.27Å; T377-V379 WeakPolarHBondContact O-CG2 3.38Å; T377-V379 PolarHBondContact O-N 2.78Å
378T40Very low31.6Very low58 Ų58112.5 Ų112.536%0.35666%0.66SS.*  trans-12.3101.7-176.3-450000115.3T472 I474T378-T472 WeakPolarHBondContact CA-O 3.37Å; T378-T472 WeakPolarHBondContact CB-O 3.36Å; T378-T472 WeakPolarHBondContact CG2-O 3.46Å; T378-T472 PolarHBondContact OG1-O 2.64Å; T378-I474 HydrophobicContact CG2-CD1 4.1Å; T378-I474 HydrophobicContact CG2-CG1 3.99Å
379V41.8Very low31.6Very low52 Ų52115.7 Ų115.732%0.31567%0.666SS.*  trans-96.9130-178.9-178.60000108.1Q376 T377 T473 I474Q376-V379 HydrophobicContact CB-CG2 4.17Å; T377-V379 WeakPolarHBondContact O-CG2 3.38Å; T377-V379 PolarHBondContact O-N 2.78Å; V379-T473 HydrophobicContact CB-CG2 4.31Å; V379-T473 WeakPolarHBondContact O-CG2 2.88Å; V379-I474 PolarHBondContact O-N 3.4Å
380I40.7Very low31.6Very low68 Ų68115.2 Ų115.235%0.34967%0.666SS.*EExtended strand (participates in β ladder)trans-87.7123.1165.8-61.1176.4000107.7I411 E415 I474 P477I380-I411 HydrophobicContact CD1-CG2 3.85Å; I380-E415 WeakPolarHBondContact CD1-OE1 3.48Å; I380-I474 WeakPolarHBondContact CA-O 3.44Å; I380-P477 HydrophobicContact CG2-CG 3.89Å
381H38.2Very low32.1Very low114 Ų114114.3 Ų114.353%0.52866%0.659SS.*EExtended strand (participates in β ladder)trans-108122168.9-160.1-80.1000108.9I474 L475 N476H381-I474 PolarHBondContact N-O 2.97Å; H381-L475 HydrophobicContact CB-CD2 3.56Å; H381-N476 PolarHBondContact O-N 3.47Å; H381-N476 VanDerWaalsContact O-N 3.12Å; H381-N476 PolarHBondContact O-OD1 3.02Å; H381-N476 VanDerWaalsContact O-OD1 3.13Å
382N36.4Very low32.4Very low109 Ų109117.1 Ų117.158%0.58366%0.662SS**  trans-115.1113.5171.8-151.632.3000107.6
383P30.5Very low32.5Very low65 Ų65118.3 Ų118.342%0.42266%0.664SS.*  trans-70.3139171.627.3-30.4000109.4D385 N476P383-D385 PolarHBondContact O-N 3.42Å; P383-N476 WeakPolarHBondContact CD-OD1 3.18Å
384V32.5Very low33Very low144 Ų144115.8 Ų115.887%0.87366%0.66SS**  trans-56.7121.2174.7174.10000109.5G386V384-G386 PolarHBondContact O-N 2.82Å; V384-G386 VanDerWaalsContact O-N 3.08Å
385D33.5Very low33.2Very low165 Ų165117 Ų11788%0.88267%0.671SS**  trans-59.8110.3173-82.1-41.2000110.2P383P383-D385 PolarHBondContact O-N 3.42Å
386G31.6Very low33.5Very low68 Ų68118.8 Ų118.870%0.70168%0.68SS**  trans-145.649.6-179.800000111V384V384-G386 PolarHBondContact O-N 2.82Å; V384-G386 VanDerWaalsContact O-N 3.08Å
387I28.6Very low33.9Very low166 Ų166119 Ų11985%0.85169%0.69SS**SBendtrans-138.9126.4166.9-56.9-179.3000109.6E389I387-E389 PolarHBondContact O-N 3.36Å
388K34.6Very low34.2Very low206 Ų206123 Ų12390%0.89671%0.708SS**PPolyproline II helixtrans-50.2118.2-174.2-66.5170.7173.5177.40113.7
389E26.8Very low34.8Very low194 Ų194127.1 Ų127.191%0.90772%0.723SS**PPolyproline II helixtrans-79129.3155.1-75.9-169.8155.600109.9I387I387-E389 PolarHBondContact O-N 3.36Å
390S27.3Very low35.9Very low114 Ų114129 Ų12980%0.79773%0.731SS**PPolyproline II helixtrans-72140.1171.6174.90000109.7D392S390-D392 PolarHBondContact O-N 2.9Å
391S35.4Very low37.5Very low101 Ų101132.3 Ų132.371%0.70675%0.745SS**SBendtrans-46.1125.1175.7-38.80000113.9
392D29.6Very low39.4Very low151 Ų151130.7 Ų130.781%0.80774%0.74SS**  154.293.8124.9-83.6-14.8000111.3S390S390-D392 PolarHBondContact O-N 2.9Å
393S28.1Very low41.5Very low120 Ų120127.2 Ų127.284%0.83972%0.723SS**  trans172.3112.3132.342.20000109.3N395S393-N395 PolarHBondContact O-N 3.26Å
394S35Very low43.9Very low111 Ų111128.9 Ų128.978%0.77672%0.723SS**  trans-62.3111.3171.8450000111.2
395N30.6Very low46.3Very low154 Ų154125 Ų12582%0.82471%0.706SS**  trans-173.778145.6-90-15.1000109.5S393S393-N395 PolarHBondContact O-N 3.26Å
396T33.4Very low48.8Very low146 Ų146119.2 Ų119.290%0.89667%0.672SS**  trans-125.583.2170.539.30000109.9
397T40.5Very low51.5Low125 Ų125118.7 Ų118.777%0.76765%0.651SS**  trans-113.4108.916346.60000107.8
398I43.9Very low54.2Low153 Ų153116.1 Ų116.179%0.78564%0.635SS**  trans63.797.5160.7-47.4168.2000112.8D400I398-D400 PolarHBondContact O-N 3.24Å
399E52.1Low56.9Low144 Ų144110.4 Ų110.467%0.67361%0.611SS**  trans-58.3110.3154.2-78.7-163.3131.200106.8E401 K407E399-E401 PolarHBondContact O-N 2.98Å; E399-K407 IonicContact OE1-NZ 3.5Å; E399-K407 PolarHBondContact OE1-NZ 3.43Å
400D65.3Low60.1Low92 Ų92101.2 Ų101.249%0.49257%0.568SS.*  trans-51.9124-177.3-161.5-10.4000109.9I398 D402 V403 K404I398-D400 PolarHBondContact O-N 3.24Å; D400-D402 PolarHBondContact O-N 2.77Å; D400-V403 HydrophobicContact CB-CB 4.31Å; D400-V403 HydrophobicContact CB-CG2 3.92Å; D400-V403 WeakPolarHBondContact O-CA 3.31Å; D400-V403 WeakPolarHBondContact O-CB 3.48Å; D400-V403 PolarHBondContact O-N 2.95Å; D400-K404 PolarHBondContact O-N 3.29Å; D400-K404 VanDerWaalsContact O-N 3.16Å
401E74.2Confident63Low137 Ų13797 Ų9764%0.6454%0.537SS*.Hα-helixtrans-53-29.1180-80.8-70.3145.100111.5E399 K404 A405E399-E401 PolarHBondContact O-N 2.98Å; E401-K404 PolarHBondContact O-N 3.07Å; E401-A405 PolarHBondContact O-N 3.11Å
402D77.5Confident65.3Low79 Ų7994.9 Ų94.942%0.42252%0.515SS..Hα-helixtrans-64.7-42172.317955.6000113.1D400 K404 A405 R406D400-D402 PolarHBondContact O-N 2.77Å; D402-K404 VanDerWaalsContact C-N 3.3Å; D402-K404 PolarHBondContact O-N 3Å; D402-A405 PolarHBondContact O-N 3.19Å; D402-R406 WeakPolarHBondContact O-CB 3.42Å; D402-R406 WeakPolarHBondContact O-CG 3.32Å; D402-R406 PolarHBondContact O-N 3.04Å; D402-R406 IonicContact OD1-NE 2.94Å; D402-R406 IonicContact OD2-CZ 3.89Å; D402-R406 IonicContact OD2-NE 3.69Å; D402-R406 PolarHBondContact OD2-NE 3.23Å; D402-R406 IonicContact OD2-NH2 3.03Å; D402-R406 PolarHBondContact OD2-NH2 2.85Å
403V80.4Confident68.3Low36 Ų3688.9 Ų88.922%0.21848%0.482CS..Hα-helixtrans-64.4-38.5175.2173.60000110.3D400 R406 K407 M481D400-V403 HydrophobicContact CB-CB 4.31Å; D400-V403 HydrophobicContact CB-CG2 3.92Å; D400-V403 WeakPolarHBondContact O-CA 3.31Å; D400-V403 WeakPolarHBondContact O-CB 3.48Å; D400-V403 PolarHBondContact O-N 2.95Å; V403-R406 PolarHBondContact O-N 3.11Å; V403-K407 HydrophobicContact CG1-CD 4.37Å; V403-K407 HydrophobicContact CG1-CG 4.44Å; V403-K407 WeakPolarHBondContact O-CB 3.24Å; V403-K407 WeakPolarHBondContact O-CG 3.43Å; V403-K407 PolarHBondContact O-N 2.84Å; V403-M481 HydrophobicContact CG1-CG 4.23Å
404K80.9Confident71.4Confident100 Ų10083.2 Ų83.244%0.43544%0.443SS..Hα-helixtrans-64.1-44.4175.6-171.1-178.4172.1-163.60111.6E216 D400 E401 D402 R406 K407 Q408E216-K404 IonicContact OE2-NZ 3.91Å; D400-K404 PolarHBondContact O-N 3.29Å; D400-K404 VanDerWaalsContact O-N 3.16Å; E401-K404 PolarHBondContact O-N 3.07Å; D402-K404 VanDerWaalsContact C-N 3.3Å; D402-K404 PolarHBondContact O-N 3Å; K404-R406 PolarHBondContact O-N 2.88Å; K404-K407 PolarHBondContact O-N 3.43Å; K404-Q408 PolarHBondContact O-N 3.46Å
405A82.1Confident73.8Confident62 Ų6279.3 Ų79.351%0.51241%0.412SS..Hα-helixtrans-61.3-42.8175.200000112.2E401 D402 Q408 E409E401-A405 PolarHBondContact O-N 3.11Å; D402-A405 PolarHBondContact O-N 3.19Å; A405-Q408 WeakPolarHBondContact O-CB 3.25Å; A405-Q408 PolarHBondContact O-N 2.78Å; A405-E409 PolarHBondContact O-N 2.83Å
406R87.4Confident76.3Confident44 Ų4474.6 Ų74.617%0.16639%0.385CS..Hα-helixtrans-66-42.1175.9-73.7-172.5-81156-8.3112.9D402 V403 K404 Q408 E409 I410 M481 G483D402-R406 WeakPolarHBondContact O-CB 3.42Å; D402-R406 WeakPolarHBondContact O-CG 3.32Å; D402-R406 PolarHBondContact O-N 3.04Å; D402-R406 IonicContact OD1-NE 2.94Å; D402-R406 IonicContact OD2-CZ 3.89Å; D402-R406 IonicContact OD2-NE 3.69Å; D402-R406 PolarHBondContact OD2-NE 3.23Å; D402-R406 IonicContact OD2-NH2 3.03Å; D402-R406 PolarHBondContact OD2-NH2 2.85Å; V403-R406 PolarHBondContact O-N 3.11Å; K404-R406 PolarHBondContact O-N 2.88Å; R406-Q408 VanDerWaalsContact C-N 3.26Å; R406-Q408 PolarHBondContact O-N 2.8Å; R406-E409 WeakPolarHBondContact O-CB 3.29Å; R406-E409 PolarHBondContact O-N 2.9Å; R406-E409 VanDerWaalsContact O-N 3.1Å; R406-I410 PolarHBondContact O-N 3.44Å; R406-I410 VanDerWaalsContact O-N 3.08Å; R406-M481 HydrophobicContact CB-CE 3.8Å; R406-M481 HydrophobicContact CB-SD 4.26Å; R406-G483 PolarHBondContact NH1-O 3.21Å
407K88.1Confident79.1Confident58 Ų5867.6 Ų67.625%0.25234%0.342SS..Hα-helixtrans-56.7-42.3172.7-75.9177.7178.1175.10110.9E399 V403 K404 E409 I410 I411 V479 M481E399-K407 IonicContact OE1-NZ 3.5Å; E399-K407 PolarHBondContact OE1-NZ 3.43Å; V403-K407 HydrophobicContact CG1-CD 4.37Å; V403-K407 HydrophobicContact CG1-CG 4.44Å; V403-K407 WeakPolarHBondContact O-CB 3.24Å; V403-K407 WeakPolarHBondContact O-CG 3.43Å; V403-K407 PolarHBondContact O-N 2.84Å; K404-K407 PolarHBondContact O-N 3.43Å; K407-E409 VanDerWaalsContact C-N 3.33Å; K407-E409 PolarHBondContact O-N 2.94Å; K407-I410 PolarHBondContact O-N 3.45Å; K407-I411 WeakPolarHBondContact O-CG1 3.41Å; K407-I411 PolarHBondContact O-N 2.91Å; K407-V479 HydrophobicContact CB-CB 4.31Å; K407-V479 HydrophobicContact CB-CG1 4.28Å; K407-V479 HydrophobicContact CG-CB 4.07Å; K407-V479 HydrophobicContact CG-CG1 3.97Å; K407-M481 HydrophobicContact CG-CG 4.01Å; K407-M481 HydrophobicContact CG-SD 4.3Å
408Q86Confident81.2Confident111 Ų11161.8 Ų61.852%0.51931%0.307SS..Hα-helixtrans-66.2-33.8177.2-17061.159.400112.9K404 A405 R406 K412K404-Q408 PolarHBondContact O-N 3.46Å; A405-Q408 WeakPolarHBondContact O-CB 3.25Å; A405-Q408 PolarHBondContact O-N 2.78Å; R406-Q408 VanDerWaalsContact C-N 3.26Å; R406-Q408 PolarHBondContact O-N 2.8Å; Q408-K412 VanDerWaalsContact O-CB 3.28Å; Q408-K412 WeakPolarHBondContact O-CB 3.46Å; Q408-K412 PolarHBondContact O-N 3.26Å
409E90.9Very high82.8Confident87 Ų8755.5 Ų55.541%0.40727%0.274SS..Hα-helixtrans-62.8-43.5172.5-168.5-177.4-161.500111.6A405 R406 K407 K412 I413 W522A405-E409 PolarHBondContact O-N 2.83Å; R406-E409 WeakPolarHBondContact O-CB 3.29Å; R406-E409 PolarHBondContact O-N 2.9Å; R406-E409 VanDerWaalsContact O-N 3.1Å; K407-E409 VanDerWaalsContact C-N 3.33Å; K407-E409 PolarHBondContact O-N 2.94Å; E409-K412 WeakPolarHBondContact O-CB 3.46Å; E409-K412 PolarHBondContact O-N 3Å; E409-I413 PolarHBondContact O-N 2.94Å; E409-W522 PolarHBondContact OE1-NE1 3Å; E409-W522 PolarHBondContact OE2-NE1 3.07Å
410I94.4Very high84.2Confident0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-64.2-43.4177.2-62.9-59.2000112.2R406 K407 K412 I413 T414 V479 M481 A487 I489 W515 W522R406-I410 PolarHBondContact O-N 3.44Å; R406-I410 VanDerWaalsContact O-N 3.08Å; K407-I410 PolarHBondContact O-N 3.45Å; I410-K412 VanDerWaalsContact C-N 3.27Å; I410-K412 PolarHBondContact O-N 3.2Å; I410-I413 WeakPolarHBondContact O-CG2 3.26Å; I410-T414 WeakPolarHBondContact O-CB 3.26Å; I410-T414 PolarHBondContact O-N 2.89Å; I410-T414 PolarHBondContact O-OG1 2.88Å; I410-V479 HydrophobicContact CB-CG1 3.93Å; I410-V479 HydrophobicContact CB-CG2 4.49Å; I410-V479 HydrophobicContact CG1-CG1 4.25Å; I410-V479 HydrophobicContact CG2-CG1 3.84Å; I410-V479 HydrophobicContact CG2-CG2 4.22Å; I410-M481 HydrophobicContact CG1-SD 4.06Å; I410-A487 HydrophobicContact CD1-CB 3.58Å; I410-A487 HydrophobicContact CG1-CB 3.64Å; I410-A487 HydrophobicContact CG2-CB 4.42Å; I410-I489 HydrophobicContact CG2-CB 4.02Å; I410-I489 HydrophobicContact CG2-CD1 4.49Å; I410-I489 HydrophobicContact CG2-CG2 4.24Å; I410-W515 HydrophobicContact CD1-CB 4.1Å; I410-W515 HydrophobicContact CD1-CG 4.24Å; I410-W515 HydrophobicContact CG2-CG 4.5Å; I410-W522 HydrophobicContact CD1-CD2 3.67Å; I410-W522 HydrophobicContact CD1-CE3 3.85Å; I410-W522 HydrophobicContact CD1-CG 4.26Å; I410-W522 HydrophobicContact CD1-CH2 4.01Å; I410-W522 HydrophobicContact CD1-CZ2 3.84Å; I410-W522 HydrophobicContact CD1-CZ3 4.01Å
411I86.7Confident85Confident26 Ų2645.1 Ų45.113%0.13322%0.224CC..Hα-helixtrans-57.5-47.5174.6-68.1169.2000109.5I380 K407 T414 E415 V479 I489I380-I411 HydrophobicContact CD1-CG2 3.85Å; K407-I411 WeakPolarHBondContact O-CG1 3.41Å; K407-I411 PolarHBondContact O-N 2.91Å; I411-T414 WeakPolarHBondContact O-CB 3.49Å; I411-T414 PolarHBondContact O-N 3.4Å; I411-E415 HydrophobicContact CG2-CG 4.5Å; I411-E415 WeakPolarHBondContact O-CG 3.47Å; I411-E415 PolarHBondContact O-N 3.48Å; I411-V479 HydrophobicContact CD1-CG2 4.27Å; I411-V479 HydrophobicContact CG1-CG2 3.73Å; I411-I489 HydrophobicContact CG1-CD1 4.22Å
412K83.5Confident85.2Confident56 Ų5640 Ų4024%0.24320%0.201CC..Hα-helixtrans-65.1-44.4-176.4-178.6-175.9170-171.20113.4I303 Q408 E409 I410 T414 E415 Q416I303-K412 HydrophobicContact CD1-CD 4.19Å; I303-K412 HydrophobicContact CG1-CD 4.49Å; I303-K412 VanDerWaalsContact CG1-CE 3.42Å; I303-K412 VanDerWaalsContact CG1-NZ 3.28Å; I303-K412 HydrophobicContact CG2-CD 4.49Å; Q408-K412 VanDerWaalsContact O-CB 3.28Å; Q408-K412 WeakPolarHBondContact O-CB 3.46Å; Q408-K412 PolarHBondContact O-N 3.26Å; E409-K412 WeakPolarHBondContact O-CB 3.46Å; E409-K412 PolarHBondContact O-N 3Å; I410-K412 VanDerWaalsContact C-N 3.27Å; I410-K412 PolarHBondContact O-N 3.2Å; K412-T414 PolarHBondContact O-N 3.09Å; K412-E415 PolarHBondContact O-N 3.48Å; K412-Q416 WeakPolarHBondContact O-CG 3.31Å; K412-Q416 PolarHBondContact O-N 2.77Å
413I92.9Very high84.9Confident25 Ų2536.9 Ų36.913%0.12818%0.184CC..Hα-helixtrans-67.7-29.7176.8-166.664.6000111.2E409 I410 Q416 L417 I432 W515 W522E409-I413 PolarHBondContact O-N 2.94Å; I410-I413 WeakPolarHBondContact O-CG2 3.26Å; I413-Q416 PolarHBondContact O-N 3.23Å; I413-L417 WeakPolarHBondContact O-CB 3.43Å; I413-L417 PolarHBondContact O-N 3.22Å; I413-I432 HydrophobicContact CD1-CG1 4.4Å; I413-I432 HydrophobicContact CD1-CG2 4.02Å; I413-I432 HydrophobicContact CG1-CG2 3.97Å; I413-W515 HydrophobicContact CB-CH2 4.19Å; I413-W515 HydrophobicContact CB-CZ3 4.25Å; I413-W515 HydrophobicContact CG1-CE3 4.25Å; I413-W515 HydrophobicContact CG1-CH2 3.65Å; I413-W515 HydrophobicContact CG1-CZ3 3.47Å; I413-W515 VanDerWaalsContact CG1-CZ3 3.47Å; I413-W515 HydrophobicContact CG2-CD2 3.98Å; I413-W515 HydrophobicContact CG2-CE3 3.89Å; I413-W515 HydrophobicContact CG2-CH2 3.76Å; I413-W515 HydrophobicContact CG2-CZ2 3.86Å; I413-W515 HydrophobicContact CG2-CZ3 3.77Å; I413-W522 HydrophobicContact CG1-CB 4.36Å; I413-W522 HydrophobicContact CG2-CB 4.42Å
414T93Very high84.8Confident1 Ų136.1 Ų36.11%0.00618%0.184CC..Hα-helixtrans-67.3-42.1172.7-56.40000112I410 I411 K412 L417 I418 I489 Y491 W515I410-T414 WeakPolarHBondContact O-CB 3.26Å; I410-T414 PolarHBondContact O-N 2.89Å; I410-T414 PolarHBondContact O-OG1 2.88Å; I411-T414 WeakPolarHBondContact O-CB 3.49Å; I411-T414 PolarHBondContact O-N 3.4Å; K412-T414 PolarHBondContact O-N 3.09Å; T414-L417 PolarHBondContact O-N 3.41Å; T414-I418 HydrophobicContact CG2-CD1 3.9Å; T414-I418 WeakPolarHBondContact O-CG1 3.28Å; T414-I418 PolarHBondContact O-N 3.29Å; T414-I489 HydrophobicContact CG2-CD1 4.21Å; T414-I489 HydrophobicContact CG2-CG2 4.23Å; T414-I489 WeakPolarHBondContact OG1-CG2 3.41Å; T414-Y491 HydrophobicContact CG2-CD1 4.29Å; T414-Y491 HydrophobicContact CG2-CE1 3.53Å; T414-W515 WeakPolarHBondContact OG1-CZ2 3.32Å; T414-W515 PolarHBondContact OG1-NE1 2.84Å
415E85.4Confident84.8Confident29 Ų2933.5 Ų33.514%0.13617%0.174CC..Hα-helixtrans-60.1-44.8173-70.5170.8147.300111.4M307 I380 I411 K412 L417 I418 E419 I474M307-E415 HydrophobicContact CE-CB 4.26Å; M307-E415 WeakPolarHBondContact CE-OE2 3.42Å; I380-E415 WeakPolarHBondContact CD1-OE1 3.48Å; I411-E415 HydrophobicContact CG2-CG 4.5Å; I411-E415 WeakPolarHBondContact O-CG 3.47Å; I411-E415 PolarHBondContact O-N 3.48Å; K412-E415 PolarHBondContact O-N 3.48Å; E415-L417 VanDerWaalsContact C-N 3.31Å; E415-L417 PolarHBondContact O-N 3.1Å; E415-I418 PolarHBondContact O-N 2.87Å; E415-E419 WeakPolarHBondContact O-CB 3.47Å; E415-E419 PolarHBondContact O-N 3.37Å; E415-I474 HydrophobicContact CG-CD1 4.07Å
416Q83.3Confident85Confident55 Ų5531.6 Ų31.626%0.25716%0.155SC..Hα-helixtrans-60.8-39.8176.5-71.2178.22.600112.2K412 I413 A420 I432K412-Q416 WeakPolarHBondContact O-CG 3.31Å; K412-Q416 PolarHBondContact O-N 2.77Å; I413-Q416 PolarHBondContact O-N 3.23Å; Q416-A420 PolarHBondContact O-N 3.49Å; Q416-I432 HydrophobicContact CB-CD1 4.15Å
417L92Very high85Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-67-50.1177-174.1160.3000111.5I413 T414 E415 E419 A420 V421 Y429 I432 W515 N524I413-L417 WeakPolarHBondContact O-CB 3.43Å; I413-L417 PolarHBondContact O-N 3.22Å; T414-L417 PolarHBondContact O-N 3.41Å; E415-L417 VanDerWaalsContact C-N 3.31Å; E415-L417 PolarHBondContact O-N 3.1Å; L417-E419 PolarHBondContact O-N 2.96Å; L417-A420 WeakPolarHBondContact O-CB 3.43Å; L417-A420 PolarHBondContact O-N 3.39Å; L417-A420 VanDerWaalsContact O-N 3.09Å; L417-V421 HydrophobicContact CD2-CG2 4.13Å; L417-V421 WeakPolarHBondContact O-CG2 3.19Å; L417-V421 PolarHBondContact O-N 3.27Å; L417-Y429 HydrophobicContact CD1-CE2 4.5Å; L417-Y429 HydrophobicContact CD2-CD2 4.25Å; L417-Y429 HydrophobicContact CD2-CE2 3.93Å; L417-Y429 HydrophobicContact CG-CD2 4.14Å; L417-Y429 HydrophobicContact CG-CE2 4.13Å; L417-I432 HydrophobicContact CB-CD1 4.44Å; L417-I432 HydrophobicContact CB-CG2 4.17Å; L417-I432 HydrophobicContact CD1-CG2 4Å; L417-I432 HydrophobicContact CG-CG2 4.42Å; L417-W515 HydrophobicContact CB-CH2 4.14Å; L417-W515 HydrophobicContact CD1-CH2 3.63Å; L417-W515 HydrophobicContact CD1-CZ2 4.08Å; L417-N524 HydrophobicContact CD1-CB 3.75Å
418I86.2Confident85Confident3 Ų334.5 Ų34.52%0.01518%0.176CC..Hα-helixtrans-59.9-38.3178.3-69163.4000110.5T414 E415 V421 N422 T472 I474 Y491T414-I418 HydrophobicContact CG2-CD1 3.9Å; T414-I418 WeakPolarHBondContact O-CG1 3.28Å; T414-I418 PolarHBondContact O-N 3.29Å; E415-I418 PolarHBondContact O-N 2.87Å; I418-V421 WeakPolarHBondContact O-CB 3.36Å; I418-V421 PolarHBondContact O-N 3.17Å; I418-N422 PolarHBondContact O-N 3.1Å; I418-T472 HydrophobicContact CG2-CG2 3.96Å; I418-I474 HydrophobicContact CD1-CD1 3.42Å; I418-I474 VanDerWaalsContact CD1-CD1 3.42Å; I418-I474 HydrophobicContact CD1-CG1 4.01Å; I418-Y491 HydrophobicContact CD1-CE2 3.63Å
419E76.2Confident85.2Confident20 Ų2029.5 Ų29.59%0.09315%0.152CC..Hα-helixtrans-62.6-47.4174.5-178.4-178.5-166.300111.1T306 M307 S310 R311 E415 L417 V421 N422 N423T306-E419 VanDerWaalsContact O-OE1 3.09Å; M307-E419 WeakPolarHBondContact CA-OE1 2.99Å; M307-E419 VanDerWaalsContact CA-OE2 3.23Å; M307-E419 WeakPolarHBondContact CA-OE2 3.25Å; S310-E419 WeakPolarHBondContact CB-OE1 3.48Å; S310-E419 PolarHBondContact OG-OE1 3.26Å; R311-E419 PolarHBondContact N-OE1 3.31Å; R311-E419 VanDerWaalsContact N-OE1 3.1Å; E415-E419 WeakPolarHBondContact O-CB 3.47Å; E415-E419 PolarHBondContact O-N 3.37Å; L417-E419 PolarHBondContact O-N 2.96Å; E419-V421 PolarHBondContact O-N 2.78Å; E419-N422 PolarHBondContact O-N 3.04Å; E419-N423 WeakPolarHBondContact CG-ND2 3.41Å; E419-N423 WeakPolarHBondContact O-CB 3.41Å; E419-N423 PolarHBondContact O-N 3.19Å; E419-N423 PolarHBondContact O-ND2 3.26Å
420A81.9Confident85.3Confident2 Ų227.4 Ų27.42%0.01715%0.149CC..Hα-helixtrans-55.4-40.5174.900000112.1Q416 L417 N423 G424 D425 A428 F459Q416-A420 PolarHBondContact O-N 3.49Å; L417-A420 WeakPolarHBondContact O-CB 3.43Å; L417-A420 PolarHBondContact O-N 3.39Å; L417-A420 VanDerWaalsContact O-N 3.09Å; A420-N423 PolarHBondContact O-N 3.16Å; A420-G424 PolarHBondContact O-N 2.96Å; A420-G424 VanDerWaalsContact O-N 3.14Å; A420-D425 PolarHBondContact O-N 3.08Å; A420-A428 HydrophobicContact CB-CB 4.01Å; A420-F459 WeakPolarHBondContact O-CE1 3.46Å
421V83.1Confident85.3Confident16 Ų1635 Ų3510%0.09718%0.182CC..Hα-helixtrans-63.2-53.6174.6174.30000111.8L417 I418 E419 N423 G424 Y429 F459 L463L417-V421 HydrophobicContact CD2-CG2 4.13Å; L417-V421 WeakPolarHBondContact O-CG2 3.19Å; L417-V421 PolarHBondContact O-N 3.27Å; I418-V421 WeakPolarHBondContact O-CB 3.36Å; I418-V421 PolarHBondContact O-N 3.17Å; E419-V421 PolarHBondContact O-N 2.78Å; V421-N423 PolarHBondContact O-N 3.26Å; V421-G424 PolarHBondContact O-N 2.72Å; V421-Y429 HydrophobicContact CG2-CD2 3.81Å; V421-Y429 HydrophobicContact CG2-CE2 3.85Å; V421-F459 HydrophobicContact CB-CZ 4.43Å; V421-F459 HydrophobicContact CG2-CZ 4.05Å; V421-L463 HydrophobicContact CG1-CD1 4.21Å; V421-L463 WeakPolarHBondContact O-CD1 3.34Å
422N76.8Confident85.7Confident29 Ų2934.7 Ų34.716%0.15518%0.181CC..Hα-helixtrans-55.6-29.6178.3-78.4-19.7000112.6I418 E419 T472 R493I418-N422 PolarHBondContact O-N 3.1Å; E419-N422 PolarHBondContact O-N 3.04Å; N422-T472 WeakPolarHBondContact ND2-CB 3.31Å; N422-T472 PolarHBondContact ND2-OG1 3.2Å; N422-T472 PolarHBondContact OD1-OG1 2.95Å; N422-R493 PolarHBondContact OD1-NH2 3.34Å
423N72.7Confident86.2Confident14 Ų1432.1 Ų32.18%0.07517%0.17CC..THydrogen-bonded Turntrans-93.5-3-175.3-71.3-29.7000114.4S310 R311 S314 E419 A420 V421 D425S310-N423 WeakPolarHBondContact O-CB 3.49Å; S310-N423 PolarHBondContact O-ND2 3.14Å; S310-N423 PolarHBondContact O-OD1 3.16Å; R311-N423 WeakPolarHBondContact CA-ND2 3.24Å; R311-N423 VanDerWaalsContact CA-OD1 3.26Å; R311-N423 WeakPolarHBondContact CA-OD1 3.32Å; R311-N423 PolarHBondContact N-ND2 2.76Å; S314-N423 WeakPolarHBondContact CA-O 3.5Å; S314-N423 WeakPolarHBondContact CB-O 3.37Å; S314-N423 WeakPolarHBondContact OG-CA 3.31Å; S314-N423 WeakPolarHBondContact OG-CB 3.41Å; S314-N423 PolarHBondContact OG-O 3.29Å; S314-N423 PolarHBondContact OG-OD1 2.99Å; E419-N423 WeakPolarHBondContact CG-ND2 3.41Å; E419-N423 WeakPolarHBondContact O-CB 3.41Å; E419-N423 PolarHBondContact O-N 3.19Å; E419-N423 PolarHBondContact O-ND2 3.26Å; A420-N423 PolarHBondContact O-N 3.16Å; V421-N423 PolarHBondContact O-N 3.26Å; N423-D425 HydrophobicContact CB-CB 4.47Å; N423-D425 PolarHBondContact O-N 3.11Å; N423-D425 VanDerWaalsContact O-N 3.11Å
424G77.1Confident86.4Confident21 Ų2131.7 Ų31.722%0.21617%0.168CC..THydrogen-bonded Turntrans55.726.6-173.400000113.2A420 V421 F426A420-G424 PolarHBondContact O-N 2.96Å; A420-G424 VanDerWaalsContact O-N 3.14Å; V421-G424 PolarHBondContact O-N 2.72Å; G424-F426 PolarHBondContact O-N 3Å
425D82Confident86.3Confident44 Ų4436.5 Ų36.524%0.23520%0.199CC..  trans-89.987.7177.6-173.1-15.3000110.1A420 N423 E427 A428 Y429A420-D425 PolarHBondContact O-N 3.08Å; N423-D425 HydrophobicContact CB-CB 4.47Å; N423-D425 PolarHBondContact O-N 3.11Å; N423-D425 VanDerWaalsContact O-N 3.11Å; D425-E427 VanDerWaalsContact C-N 3.3Å; D425-E427 PolarHBondContact O-N 3Å; D425-E427 PolarHBondContact OD1-N 3.43Å; D425-A428 HydrophobicContact CB-CB 4.12Å; D425-A428 VanDerWaalsContact CG-CB 3.46Å; D425-A428 PolarHBondContact O-N 3.38Å; D425-A428 PolarHBondContact OD1-N 3.27Å; D425-A428 WeakPolarHBondContact OD2-CB 3.32Å; D425-Y429 WeakPolarHBondContact O-CB 3.49Å; D425-Y429 PolarHBondContact O-N 3.32Å
426F85.1Confident86.7Confident22 Ų2236.6 Ų36.610%0.09621%0.208CC..Hα-helixtrans-66.9-31.6-178.1-175-92.7000112.5G424 Y429 A430 M452 R456 F459G424-F426 PolarHBondContact O-N 3Å; F426-Y429 HydrophobicContact CD2-CD1 4.3Å; F426-Y429 HydrophobicContact CE2-CD1 4.26Å; F426-Y429 PolarHBondContact O-N 3.22Å; F426-A430 HydrophobicContact CD1-CB 4.3Å; F426-A430 HydrophobicContact CE1-CB 3.88Å; F426-A430 HydrophobicContact CZ-CB 4.27Å; F426-A430 WeakPolarHBondContact O-CB 3.34Å; F426-A430 PolarHBondContact O-N 3.28Å; F426-M452 HydrophobicContact CE2-CE 4.3Å; F426-M452 HydrophobicContact CZ-CB 4.14Å; F426-M452 HydrophobicContact CZ-CE 4.29Å; F426-R456 HydrophobicContact CD2-CB 4.19Å; F426-R456 HydrophobicContact CD2-CG 4.44Å; F426-R456 HydrophobicContact CE1-CG 4.48Å; F426-R456 VanDerWaalsContact CE2-CA 3.49Å; F426-R456 HydrophobicContact CE2-CB 3.59Å; F426-R456 HydrophobicContact CE2-CG 4.16Å; F426-R456 HydrophobicContact CZ-CB 3.82Å; F426-R456 HydrophobicContact CZ-CG 4.17Å; F426-F459 HydrophobicContact CB-CB 3.94Å; F426-F459 HydrophobicContact CB-CD1 3.66Å; F426-F459 HydrophobicContact CB-CE1 4.34Å; F426-F459 HydrophobicContact CB-CG 3.88Å; F426-F459 HydrophobicContact CD2-CB 3.99Å; F426-F459 HydrophobicContact CD2-CD1 4.25Å; F426-F459 AromaticContact CD2-CD2 3.87Å; F426-F459 HydrophobicContact CD2-CD2 3.87Å; F426-F459 HydrophobicContact CD2-CE2 4.39Å; F426-F459 AromaticContact CD2-CG 3.78Å; F426-F459 HydrophobicContact CD2-CG 3.78Å; F426-F459 HydrophobicContact CG-CB 4.37Å; F426-F459 HydrophobicContact CG-CD1 4.48Å; F426-F459 HydrophobicContact CG-CG 4.32Å; F426-F459 VanDerWaalsContact N-CD1 3.34Å
427E88.8Confident87.3Confident138 Ų13834 Ų3465%0.64520%0.195SC*.Hα-helixtrans-67.6-40.7179.3-73.5-172.3-172.500111.4D425 K431D425-E427 VanDerWaalsContact C-N 3.3Å; D425-E427 PolarHBondContact O-N 3Å; D425-E427 PolarHBondContact OD1-N 3.43Å; E427-K431 WeakPolarHBondContact O-CG 3.28Å; E427-K431 PolarHBondContact O-N 3.41Å
428A87.4Confident87.3Confident26 Ų2635.7 Ų35.722%0.21521%0.206CC..Hα-helixtrans-65.8-46.5172.800000111.3A420 D425 A430 K431 I432A420-A428 HydrophobicContact CB-CB 4.01Å; D425-A428 HydrophobicContact CB-CB 4.12Å; D425-A428 VanDerWaalsContact CG-CB 3.46Å; D425-A428 PolarHBondContact O-N 3.38Å; D425-A428 PolarHBondContact OD1-N 3.27Å; D425-A428 WeakPolarHBondContact OD2-CB 3.32Å; A428-A430 PolarHBondContact O-N 3.18Å; A428-K431 PolarHBondContact O-N 3.26Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å; A428-I432 PolarHBondContact O-N 3.06Å
429Y90.3Very high87.6Confident6 Ų635.5 Ų35.52%0.02421%0.205CC..Hα-helixtrans-57.1-46.9177.2-180-103.5000111.8L417 V421 D425 F426 K431 I432 C433 L437 M452 H455 F459L417-Y429 HydrophobicContact CD1-CE2 4.5Å; L417-Y429 HydrophobicContact CD2-CD2 4.25Å; L417-Y429 HydrophobicContact CD2-CE2 3.93Å; L417-Y429 HydrophobicContact CG-CD2 4.14Å; L417-Y429 HydrophobicContact CG-CE2 4.13Å; V421-Y429 HydrophobicContact CG2-CD2 3.81Å; V421-Y429 HydrophobicContact CG2-CE2 3.85Å; D425-Y429 WeakPolarHBondContact O-CB 3.49Å; D425-Y429 PolarHBondContact O-N 3.32Å; F426-Y429 HydrophobicContact CD2-CD1 4.3Å; F426-Y429 HydrophobicContact CE2-CD1 4.26Å; F426-Y429 PolarHBondContact O-N 3.22Å; Y429-K431 VanDerWaalsContact C-N 3.29Å; Y429-K431 PolarHBondContact O-N 3.4Å; Y429-I432 PolarHBondContact O-N 3.06Å; Y429-I432 VanDerWaalsContact O-N 3.08Å; Y429-C433 VanDerWaalsContact CE2-SG 3.54Å; Y429-C433 PolarHBondContact O-N 2.98Å; Y429-C433 PolarHBondContact O-SG 3.38Å; Y429-L437 VanDerWaalsContact OH-CD2 3.31Å; Y429-L437 WeakPolarHBondContact OH-CD2 3.39Å; Y429-M452 HydrophobicContact CD1-CE 3.31Å; Y429-M452 HydrophobicContact CE1-CE 3.17Å; Y429-M452 HydrophobicContact CE1-SD 4Å; Y429-M452 HydrophobicContact CG-CE 4.46Å; Y429-H455 HydrophobicContact CE1-CB 3.85Å; Y429-H455 PolarHBondContact OH-ND1 3.08Å; Y429-F459 AromaticContact CD1-CE2 3.89Å; Y429-F459 HydrophobicContact CD1-CE2 3.89Å; Y429-F459 AromaticContact CD1-CZ 3.96Å; Y429-F459 HydrophobicContact CD1-CZ 3.96Å; Y429-F459 HydrophobicContact CD2-CE2 4.37Å; Y429-F459 AromaticContact CD2-CZ 3.93Å; Y429-F459 HydrophobicContact CD2-CZ 3.93Å; Y429-F459 HydrophobicContact CE1-CE2 4.21Å; Y429-F459 HydrophobicContact CG-CE1 4.43Å; Y429-F459 AromaticContact CG-CE2 4Å; Y429-F459 HydrophobicContact CG-CE2 4Å; Y429-F459 AromaticContact CG-CZ 3.59Å; Y429-F459 HydrophobicContact CG-CZ 3.59Å
430A92.5Very high88.1Confident42 Ų4238.3 Ų38.335%0.34722%0.217SC..Hα-helixtrans-68-22.3179.700000114.3F426 A428 I432 M452F426-A430 HydrophobicContact CD1-CB 4.3Å; F426-A430 HydrophobicContact CE1-CB 3.88Å; F426-A430 HydrophobicContact CZ-CB 4.27Å; F426-A430 WeakPolarHBondContact O-CB 3.34Å; F426-A430 PolarHBondContact O-N 3.28Å; A428-A430 PolarHBondContact O-N 3.18Å; A430-I432 VanDerWaalsContact C-N 3.34Å; A430-M452 HydrophobicContact CB-CE 4.17Å
431K93.8Very high88.1Confident160 Ų16038.6 Ų38.670%0.69622%0.218SC*.Hα-helixtrans-75.2-26.9172.1-76.7169.7-175.3165.30112.6E427 A428 Y429E427-K431 WeakPolarHBondContact O-CG 3.28Å; E427-K431 PolarHBondContact O-N 3.41Å; A428-K431 PolarHBondContact O-N 3.26Å; Y429-K431 VanDerWaalsContact C-N 3.29Å; Y429-K431 PolarHBondContact O-N 3.4Å
432I95.1Very high87.7Confident20 Ų2040 Ų4010%0.10323%0.227CC..Hα-helixtrans-92.7-30.7-177.3-58.2168.5000110.7I413 Q416 L417 A428 Y429 A430 W515 Q523 N524I413-I432 HydrophobicContact CD1-CG1 4.4Å; I413-I432 HydrophobicContact CD1-CG2 4.02Å; I413-I432 HydrophobicContact CG1-CG2 3.97Å; Q416-I432 HydrophobicContact CB-CD1 4.15Å; L417-I432 HydrophobicContact CB-CD1 4.44Å; L417-I432 HydrophobicContact CB-CG2 4.17Å; L417-I432 HydrophobicContact CD1-CG2 4Å; L417-I432 HydrophobicContact CG-CG2 4.42Å; A428-I432 WeakPolarHBondContact O-CG1 3.49Å; A428-I432 PolarHBondContact O-N 3.06Å; Y429-I432 PolarHBondContact O-N 3.06Å; Y429-I432 VanDerWaalsContact O-N 3.08Å; A430-I432 VanDerWaalsContact C-N 3.34Å; I432-W515 HydrophobicContact CG2-CH2 3.6Å; I432-W515 HydrophobicContact CG2-CZ3 3.52Å; I432-Q523 CarbonylContact O-C 3.58Å; I432-Q523 WeakPolarHBondContact O-CA 3.45Å; I432-N524 PolarHBondContact O-N 3.03Å
433C95.7Very high87.7Confident1 Ų140 Ų401%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-87.2150.4178.1-63.90000112.4Y429 L437 M452Y429-C433 VanDerWaalsContact CE2-SG 3.54Å; Y429-C433 PolarHBondContact O-N 2.98Å; Y429-C433 PolarHBondContact O-SG 3.38Å; C433-L437 HydrophobicContact CB-CD2 4.02Å; C433-M452 HydrophobicContact CB-CE 3.59Å; C433-M452 HydrophobicContact CB-SD 3.7Å
434D95.6Very high87.6Confident16 Ų1639.7 Ų39.79%0.08623%0.227CC..EExtended strand (participates in β ladder)trans-67.6140.5166.7-171.1-84.7000110.2G436 L437 R518 N524 V525D434-G436 PolarHBondContact O-N 3.27Å; D434-G436 VanDerWaalsContact OD1-CA 3.32Å; D434-G436 WeakPolarHBondContact OD1-CA 3.39Å; D434-G436 PolarHBondContact OD1-N 3.5Å; D434-L437 VanDerWaalsContact O-CB 3.25Å; D434-L437 WeakPolarHBondContact O-CB 3.44Å; D434-L437 PolarHBondContact O-N 3.41Å; D434-R518 IonicContact OD2-CZ 3.42Å; D434-R518 VanDerWaalsContact OD2-CZ 3.25Å; D434-R518 IonicContact OD2-NH1 3.59Å; D434-R518 PolarHBondContact OD2-NH1 2.72Å; D434-R518 IonicContact OD2-NH2 3.67Å; D434-N524 WeakPolarHBondContact CB-O 3.5Å; D434-N524 PolarHBondContact N-O 3.39Å; D434-V525 HydrophobicContact CB-CG1 3.95Å
435P92.4Very high87.5Confident102 Ų10245.9 Ų45.966%0.66225%0.254SS*.EExtended strand (participates in β ladder)trans-57.3-28.8175.8-26.735.7000114.2
436G93.1Very high87.1Confident31 Ų3146.2 Ų46.232%0.3227%0.268SS..EExtended strand (participates in β ladder)trans-97.628.5172.900000113.5D434 T438D434-G436 PolarHBondContact O-N 3.27Å; D434-G436 VanDerWaalsContact OD1-CA 3.32Å; D434-G436 WeakPolarHBondContact OD1-CA 3.39Å; D434-G436 PolarHBondContact OD1-N 3.5Å; G436-T438 PolarHBondContact O-N 3.18Å
437L95.1Very high86.6Confident0 Ų050.2 Ų50.20%029%0.29CS..EExtended strand (participates in β ladder)trans-48.5130.5174.2172.265.2000110.5Y429 C433 D434 E450 G451 M452 H455 F527Y429-L437 VanDerWaalsContact OH-CD2 3.31Å; Y429-L437 WeakPolarHBondContact OH-CD2 3.39Å; C433-L437 HydrophobicContact CB-CD2 4.02Å; D434-L437 VanDerWaalsContact O-CB 3.25Å; D434-L437 WeakPolarHBondContact O-CB 3.44Å; D434-L437 PolarHBondContact O-N 3.41Å; L437-E450 CarbonylContact O-C 3.53Å; L437-G451 PolarHBondContact O-N 3Å; L437-M452 HydrophobicContact CB-SD 3.86Å; L437-M452 HydrophobicContact CD2-SD 3.68Å; L437-M452 HydrophobicContact CG-SD 4.39Å; L437-H455 VanDerWaalsContact CD2-CE1 3.5Å; L437-H455 WeakPolarHBondContact CD2-CE1 3.35Å; L437-F527 HydrophobicContact CD1-CB 4.41Å
438T93.6Very high86.2Confident36 Ų3649 Ų4922%0.22129%0.287CS..EExtended strand (participates in β ladder)trans-100.9136.8169.752.70000110.3G436 V449 E450 V525 H526 F527G436-T438 PolarHBondContact O-N 3.18Å; T438-V449 CarbonylContact C-O 3.54Å; T438-V449 VanDerWaalsContact CA-O 3.25Å; T438-V449 WeakPolarHBondContact CA-O 3.24Å; T438-E450 HydrophobicContact CG2-CG 4.27Å; T438-V525 PolarHBondContact N-O 3.3Å; T438-V525 VanDerWaalsContact N-O 3.15Å; T438-V525 PolarHBondContact OG1-O 3.26Å; T438-H526 CarbonylContact O-C 3.57Å; T438-H526 VanDerWaalsContact O-CA 3.29Å; T438-H526 WeakPolarHBondContact O-CA 3.35Å; T438-H526 PolarHBondContact O-ND1 3.22Å; T438-H526 PolarHBondContact OG1-ND1 3.03Å; T438-F527 PolarHBondContact O-N 3.26Å
439S90.6Very high85.9Confident0 Ų048.9 Ų48.90%028%0.284CS..EExtended strand (participates in β ladder)trans-128.3142.817666.30000113.5E441 V449 H455 F527S439-E441 PolarHBondContact OG-OE1 3.47Å; S439-V449 PolarHBondContact N-O 2.89Å; S439-V449 PolarHBondContact O-N 3.36Å; S439-H455 PolarHBondContact OG-CE1 3.06Å; S439-H455 PolarHBondContact OG-NE2 3.36Å; S439-F527 CarbonylContact C-O 3.6Å; S439-F527 VanDerWaalsContact CA-O 3.23Å; S439-F527 WeakPolarHBondContact CA-O 3.27Å
440F86.9Confident85.8Confident78 Ų7856 Ų5634%0.34232%0.317SS..EExtended strand (participates in β ladder)trans-123.4108167-162.8-80.3000108L448 F527 H528 C529F440-L448 HydrophobicContact CB-CD1 4.41Å; F440-F527 PolarHBondContact N-O 3.4Å; F440-H528 AromaticContact CD1-CD2 3.72Å; F440-H528 AromaticContact CD1-NE2 3.48Å; F440-H528 WeakPolarHBondContact CD1-NE2 3.22Å; F440-H528 CarbonylContact O-C 3.6Å; F440-H528 VanDerWaalsContact O-CA 3.24Å; F440-H528 WeakPolarHBondContact O-CA 3.27Å; F440-H528 PolarHBondContact O-CD2 2.69Å; F440-H528 VanDerWaalsContact O-CD2 3.25Å; F440-C529 PolarHBondContact O-N 3.21Å
441E83.6Confident85.2Confident9 Ų954.6 Ų54.64%0.04231%0.308CS..  trans-145.3158.8-173.165-160.2134.200111.1S439 E443 G444 F454 H455 F527 C529S439-E441 PolarHBondContact OG-OE1 3.47Å; E441-E443 PolarHBondContact O-N 3.18Å; E441-E443 VanDerWaalsContact O-N 3.07Å; E441-G444 WeakPolarHBondContact O-CA 3.46Å; E441-G444 PolarHBondContact O-N 3.38Å; E441-F454 HydrophobicContact CG-CE1 4.06Å; E441-F454 WeakPolarHBondContact OE1-CD1 3.42Å; E441-F454 WeakPolarHBondContact OE1-CE1 3.44Å; E441-H455 IonicContact OE1-CD2 2.9Å; E441-H455 IonicContact OE1-NE2 3.45Å; E441-H455 PolarHBondContact OE1-NE2 3.26Å; E441-H455 IonicContact OE2-NE2 3.63Å; E441-F527 HydrophobicContact CB-CE1 4.39Å; E441-F527 WeakPolarHBondContact OE2-CE1 3.16Å; E441-C529 HydrophobicContact CB-CB 3.94Å
442P73.3Confident84.8Confident44 Ų4448 Ų4829%0.28628%0.28SS..G310 helixtrans-51.8-35.9-175.9-28.836.2000113.3G444 L445P442-G444 VanDerWaalsContact C-N 3.31Å; P442-G444 PolarHBondContact O-N 3.21Å; P442-L445 PolarHBondContact O-N 3.21Å; P442-L445 VanDerWaalsContact O-N 3.14Å
443E77.8Confident84.1Confident31 Ų3153.2 Ų53.215%0.14531%0.307CS..G310 helixtrans-75.4-18.8-178.8-54.891.2147.800113.7E441 L445 F454 Y458 P533 A534E441-E443 PolarHBondContact O-N 3.18Å; E441-E443 VanDerWaalsContact O-N 3.07Å; E443-L445 PolarHBondContact O-N 3.08Å; E443-F454 HydrophobicContact CB-CE1 4.46Å; E443-F454 HydrophobicContact CB-CZ 4.04Å; E443-Y458 HydrophobicContact CB-CE1 4.02Å; E443-Y458 WeakPolarHBondContact CB-OH 3.47Å; E443-Y458 HydrophobicContact CG-CE1 3.82Å; E443-P533 HydrophobicContact CG-CB 4.46Å; E443-P533 WeakPolarHBondContact OE1-CA 3.35Å; E443-P533 WeakPolarHBondContact OE1-CB 3.29Å; E443-A534 PolarHBondContact OE1-N 3.45Å
444G70.3Confident83.1Confident7 Ų755.8 Ų55.87%0.07232%0.318CS..G310 helixtrans-69.8-4.6168.200000113.1E441 P442 G446 N447E441-G444 WeakPolarHBondContact O-CA 3.46Å; E441-G444 PolarHBondContact O-N 3.38Å; P442-G444 VanDerWaalsContact C-N 3.31Å; P442-G444 PolarHBondContact O-N 3.21Å; G444-G446 PolarHBondContact O-N 2.78Å; G444-N447 VanDerWaalsContact O-CB 3.31Å; G444-N447 WeakPolarHBondContact O-CB 3.43Å; G444-N447 PolarHBondContact O-N 2.66Å; G444-N447 PolarHBondContact O-ND2 2.87Å
445L74.8Confident82.4Confident151 Ų15155.4 Ų55.479%0.79132%0.316SS*.THydrogen-bonded Turntrans52.138.8178.8-59.4177.7000112.8P442 E443P442-L445 PolarHBondContact O-N 3.21Å; P442-L445 VanDerWaalsContact O-N 3.14Å; E443-L445 PolarHBondContact O-N 3.08Å
446G72.4Confident81.8Confident51 Ų5155.8 Ų55.853%0.52631%0.305SS..THydrogen-bonded Turntrans83.96.7-178.900000115.1G444G444-G446 PolarHBondContact O-N 2.78Å
447N75.5Confident81Confident105 Ų10559.9 Ų59.956%0.56131%0.314SS*.  trans-96.8148.4174-55.7-71.7000111.3G444G444-N447 VanDerWaalsContact O-CB 3.31Å; G444-N447 WeakPolarHBondContact O-CB 3.43Å; G444-N447 PolarHBondContact O-N 2.66Å; G444-N447 PolarHBondContact O-ND2 2.87Å
448L81.1Confident79.7Confident112 Ų11261.3 Ų61.359%0.58632%0.319SS*.  trans-77.2127.6165.1-172.573.8000108.5F440F440-L448 HydrophobicContact CB-CD1 4.41Å
449V80.9Confident78.7Confident24 Ų2460 Ų6015%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-104.9142.2178.1179.20000108.8T438 S439 F454T438-V449 CarbonylContact C-O 3.54Å; T438-V449 VanDerWaalsContact CA-O 3.25Å; T438-V449 WeakPolarHBondContact CA-O 3.24Å; S439-V449 PolarHBondContact N-O 2.89Å; S439-V449 PolarHBondContact O-N 3.36Å; V449-F454 HydrophobicContact CB-CD1 4.4Å; V449-F454 HydrophobicContact CG1-CB 3.39Å; V449-F454 HydrophobicContact CG1-CD1 3.87Å; V449-F454 HydrophobicContact CG1-CD2 4.34Å; V449-F454 HydrophobicContact CG1-CG 3.63Å; V449-F454 HydrophobicContact CG2-CD1 4.2Å; V449-F454 HydrophobicContact CG2-CE1 4.29Å; V449-F454 HydrophobicContact CG2-CG 4.33Å; V449-F454 HydrophobicContact CG2-CZ 4.48Å
450E87.9Confident77.8Confident155 Ų15564.3 Ų64.372%0.72433%0.333SS*.EExtended strand (participates in β ladder)trans-122.7141.9177.4-172.6179.5177.400110.7L437 T438L437-E450 CarbonylContact O-C 3.53Å; T438-E450 HydrophobicContact CG2-CG 4.27Å
451G80.6Confident76.6Confident14 Ų1463.8 Ų63.814%0.14433%0.334CS..SBendtrans82.3-174.7179.800000113.1L437L437-G451 PolarHBondContact O-N 3Å
452M85.1Confident75.6Confident22 Ų2266 Ų6611%0.10835%0.346CS..SBendtrans-103.1-6.8-168.6-63.7-69.8-73.100113.5F426 Y429 A430 C433 L437 F454 H455 R456F426-M452 HydrophobicContact CE2-CE 4.3Å; F426-M452 HydrophobicContact CZ-CB 4.14Å; F426-M452 HydrophobicContact CZ-CE 4.29Å; Y429-M452 HydrophobicContact CD1-CE 3.31Å; Y429-M452 HydrophobicContact CE1-CE 3.17Å; Y429-M452 HydrophobicContact CE1-SD 4Å; Y429-M452 HydrophobicContact CG-CE 4.46Å; A430-M452 HydrophobicContact CB-CE 4.17Å; C433-M452 HydrophobicContact CB-CE 3.59Å; C433-M452 HydrophobicContact CB-SD 3.7Å; L437-M452 HydrophobicContact CB-SD 3.86Å; L437-M452 HydrophobicContact CD2-SD 3.68Å; L437-M452 HydrophobicContact CG-SD 4.39Å; M452-F454 PolarHBondContact O-N 3.13Å; M452-H455 PolarHBondContact O-N 2.94Å; M452-R456 WeakPolarHBondContact O-CB 3.47Å; M452-R456 PolarHBondContact O-N 3.42Å
453D78.9Confident75Confident128 Ų12864.7 Ų64.768%0.68434%0.337SS*.Hα-helixtrans-67.4-36.7-174.7-70.2-24.3000112.3R456 F457D453-R456 WeakPolarHBondContact O-CB 3.41Å; D453-R456 PolarHBondContact O-N 3.37Å; D453-F457 PolarHBondContact O-N 3.21Å
454F76.1Confident74Confident55 Ų5566.3 Ų66.324%0.24135%0.351CS..Hα-helixtrans-61.7-52.1173.8-175.4-108.6000111.1E441 E443 V449 M452 R456 F457 Y458E441-F454 HydrophobicContact CG-CE1 4.06Å; E441-F454 WeakPolarHBondContact OE1-CD1 3.42Å; E441-F454 WeakPolarHBondContact OE1-CE1 3.44Å; E443-F454 HydrophobicContact CB-CE1 4.46Å; E443-F454 HydrophobicContact CB-CZ 4.04Å; V449-F454 HydrophobicContact CB-CD1 4.4Å; V449-F454 HydrophobicContact CG1-CB 3.39Å; V449-F454 HydrophobicContact CG1-CD1 3.87Å; V449-F454 HydrophobicContact CG1-CD2 4.34Å; V449-F454 HydrophobicContact CG1-CG 3.63Å; V449-F454 HydrophobicContact CG2-CD1 4.2Å; V449-F454 HydrophobicContact CG2-CE1 4.29Å; V449-F454 HydrophobicContact CG2-CG 4.33Å; V449-F454 HydrophobicContact CG2-CZ 4.48Å; M452-F454 PolarHBondContact O-N 3.13Å; F454-R456 VanDerWaalsContact C-N 3.33Å; F454-R456 PolarHBondContact O-N 2.89Å; F454-F457 WeakPolarHBondContact O-CB 3.48Å; F454-F457 PolarHBondContact O-N 3.22Å; F454-Y458 HydrophobicContact CD1-CD2 4.49Å; F454-Y458 AromaticContact CD1-CE2 3.62Å; F454-Y458 HydrophobicContact CD1-CE2 3.62Å; F454-Y458 HydrophobicContact CD2-CE2 4.26Å; F454-Y458 AromaticContact CE1-CE2 3.39Å; F454-Y458 HydrophobicContact CE1-CE2 3.39Å; F454-Y458 AromaticContact CE1-CZ 3.77Å; F454-Y458 WeakPolarHBondContact CE1-OH 3.5Å; F454-Y458 HydrophobicContact CE2-CE2 4.07Å; F454-Y458 WeakPolarHBondContact CE2-OH 3.48Å; F454-Y458 HydrophobicContact CG-CE2 4.06Å; F454-Y458 AromaticContact CZ-CE2 3.65Å; F454-Y458 HydrophobicContact CZ-CE2 3.65Å; F454-Y458 AromaticContact CZ-CZ 3.68Å; F454-Y458 WeakPolarHBondContact CZ-OH 3.47Å; F454-Y458 WeakPolarHBondContact O-CD2 3.31Å; F454-Y458 VanDerWaalsContact O-CE2 3.31Å; F454-Y458 WeakPolarHBondContact O-CE2 3.23Å
455H79.4Confident73.2Confident8 Ų873.2 Ų73.24%0.03738%0.379CS..Hα-helixtrans-59.6-42.4175.7-60.3127000111.8Y429 L437 S439 E441 M452 F457 Y458 F459Y429-H455 HydrophobicContact CE1-CB 3.85Å; Y429-H455 PolarHBondContact OH-ND1 3.08Å; L437-H455 VanDerWaalsContact CD2-CE1 3.5Å; L437-H455 WeakPolarHBondContact CD2-CE1 3.35Å; S439-H455 PolarHBondContact OG-CE1 3.06Å; S439-H455 PolarHBondContact OG-NE2 3.36Å; E441-H455 IonicContact OE1-CD2 2.9Å; E441-H455 IonicContact OE1-NE2 3.45Å; E441-H455 PolarHBondContact OE1-NE2 3.26Å; E441-H455 IonicContact OE2-NE2 3.63Å; M452-H455 PolarHBondContact O-N 2.94Å; H455-F457 PolarHBondContact O-N 3.45Å; H455-F457 VanDerWaalsContact O-N 3.17Å; H455-Y458 WeakPolarHBondContact O-CB 3.5Å; H455-Y458 PolarHBondContact O-N 2.88Å; H455-F459 VanDerWaalsContact O-CD2 3.31Å; H455-F459 WeakPolarHBondContact O-CD2 3.49Å; H455-F459 PolarHBondContact O-N 3.18Å; H455-F459 VanDerWaalsContact O-N 3.16Å
456R81.4Confident72.4Confident111 Ų11167.5 Ų67.542%0.41935%0.349SS..Hα-helixtrans-52.9-40.1177.8-174.7-175.8-70-866.2111.8F426 M452 D453 F454 Y458 F459 D460F426-R456 HydrophobicContact CD2-CB 4.19Å; F426-R456 HydrophobicContact CD2-CG 4.44Å; F426-R456 HydrophobicContact CE1-CG 4.48Å; F426-R456 VanDerWaalsContact CE2-CA 3.49Å; F426-R456 HydrophobicContact CE2-CB 3.59Å; F426-R456 HydrophobicContact CE2-CG 4.16Å; F426-R456 HydrophobicContact CZ-CB 3.82Å; F426-R456 HydrophobicContact CZ-CG 4.17Å; M452-R456 WeakPolarHBondContact O-CB 3.47Å; M452-R456 PolarHBondContact O-N 3.42Å; D453-R456 WeakPolarHBondContact O-CB 3.41Å; D453-R456 PolarHBondContact O-N 3.37Å; F454-R456 VanDerWaalsContact C-N 3.33Å; F454-R456 PolarHBondContact O-N 2.89Å; R456-Y458 VanDerWaalsContact C-N 3.33Å; R456-Y458 PolarHBondContact O-N 3.27Å; R456-F459 PolarHBondContact O-N 3.19Å; R456-D460 WeakPolarHBondContact O-CB 3.43Å; R456-D460 PolarHBondContact O-N 2.79Å
457F74.9Confident71.6Confident117 Ų11769.9 Ų69.951%0.51336%0.358SS..Hα-helixtrans-57.9-41.1175.5-180-93.7000113D453 F454 H455 D460 N461 L462D453-F457 PolarHBondContact O-N 3.21Å; F454-F457 WeakPolarHBondContact O-CB 3.48Å; F454-F457 PolarHBondContact O-N 3.22Å; H455-F457 PolarHBondContact O-N 3.45Å; H455-F457 VanDerWaalsContact O-N 3.17Å; F457-D460 PolarHBondContact O-N 2.93Å; F457-N461 VanDerWaalsContact CD2-ND2 3.32Å; F457-N461 WeakPolarHBondContact CD2-ND2 3.16Å; F457-N461 WeakPolarHBondContact CE2-ND2 3.37Å; F457-N461 HydrophobicContact CZ-CB 4.44Å; F457-N461 VanDerWaalsContact O-CB 3.31Å; F457-N461 WeakPolarHBondContact O-CB 3.34Å; F457-N461 PolarHBondContact O-N 3.19Å; F457-N461 PolarHBondContact O-ND2 3.47Å; F457-L462 HydrophobicContact CE1-CD1 4.38Å
458Y67.8Low71.1Confident29 Ų2968 Ų6811%0.11435%0.345CS..Hα-helixtrans-65.3-43.9175.9-64.3-88.2000112.3E443 F454 H455 R456 D460 L462 L463E443-Y458 HydrophobicContact CB-CE1 4.02Å; E443-Y458 WeakPolarHBondContact CB-OH 3.47Å; E443-Y458 HydrophobicContact CG-CE1 3.82Å; F454-Y458 HydrophobicContact CD1-CD2 4.49Å; F454-Y458 AromaticContact CD1-CE2 3.62Å; F454-Y458 HydrophobicContact CD1-CE2 3.62Å; F454-Y458 HydrophobicContact CD2-CE2 4.26Å; F454-Y458 AromaticContact CE1-CE2 3.39Å; F454-Y458 HydrophobicContact CE1-CE2 3.39Å; F454-Y458 AromaticContact CE1-CZ 3.77Å; F454-Y458 WeakPolarHBondContact CE1-OH 3.5Å; F454-Y458 HydrophobicContact CE2-CE2 4.07Å; F454-Y458 WeakPolarHBondContact CE2-OH 3.48Å; F454-Y458 HydrophobicContact CG-CE2 4.06Å; F454-Y458 AromaticContact CZ-CE2 3.65Å; F454-Y458 HydrophobicContact CZ-CE2 3.65Å; F454-Y458 AromaticContact CZ-CZ 3.68Å; F454-Y458 WeakPolarHBondContact CZ-OH 3.47Å; F454-Y458 WeakPolarHBondContact O-CD2 3.31Å; F454-Y458 VanDerWaalsContact O-CE2 3.31Å; F454-Y458 WeakPolarHBondContact O-CE2 3.23Å; H455-Y458 WeakPolarHBondContact O-CB 3.5Å; H455-Y458 PolarHBondContact O-N 2.88Å; R456-Y458 VanDerWaalsContact C-N 3.33Å; R456-Y458 PolarHBondContact O-N 3.27Å; Y458-D460 VanDerWaalsContact C-N 3.34Å; Y458-L462 HydrophobicContact CD1-CD1 3.62Å; Y458-L462 HydrophobicContact CE1-CD1 4.08Å; Y458-L462 HydrophobicContact CG-CD1 4.37Å; Y458-L462 WeakPolarHBondContact O-CA 3.29Å; Y458-L462 WeakPolarHBondContact O-CB 3.34Å; Y458-L462 PolarHBondContact O-N 3.33Å; Y458-L463 PolarHBondContact O-N 3.41Å
459F74.1Confident70.2Confident9 Ų967.9 Ų67.94%0.03935%0.351CS..Iπ-helixtrans-61.7-45.8178.3-81.8-102.7000110.7A420 V421 F426 Y429 H455 R456 L463 S464A420-F459 WeakPolarHBondContact O-CE1 3.46Å; V421-F459 HydrophobicContact CB-CZ 4.43Å; V421-F459 HydrophobicContact CG2-CZ 4.05Å; F426-F459 HydrophobicContact CB-CB 3.94Å; F426-F459 HydrophobicContact CB-CD1 3.66Å; F426-F459 HydrophobicContact CB-CE1 4.34Å; F426-F459 HydrophobicContact CB-CG 3.88Å; F426-F459 HydrophobicContact CD2-CB 3.99Å; F426-F459 HydrophobicContact CD2-CD1 4.25Å; F426-F459 AromaticContact CD2-CD2 3.87Å; F426-F459 HydrophobicContact CD2-CD2 3.87Å; F426-F459 HydrophobicContact CD2-CE2 4.39Å; F426-F459 AromaticContact CD2-CG 3.78Å; F426-F459 HydrophobicContact CD2-CG 3.78Å; F426-F459 HydrophobicContact CG-CB 4.37Å; F426-F459 HydrophobicContact CG-CD1 4.48Å; F426-F459 HydrophobicContact CG-CG 4.32Å; F426-F459 VanDerWaalsContact N-CD1 3.34Å; Y429-F459 AromaticContact CD1-CE2 3.89Å; Y429-F459 HydrophobicContact CD1-CE2 3.89Å; Y429-F459 AromaticContact CD1-CZ 3.96Å; Y429-F459 HydrophobicContact CD1-CZ 3.96Å; Y429-F459 HydrophobicContact CD2-CE2 4.37Å; Y429-F459 AromaticContact CD2-CZ 3.93Å; Y429-F459 HydrophobicContact CD2-CZ 3.93Å; Y429-F459 HydrophobicContact CE1-CE2 4.21Å; Y429-F459 HydrophobicContact CG-CE1 4.43Å; Y429-F459 AromaticContact CG-CE2 4Å; Y429-F459 HydrophobicContact CG-CE2 4Å; Y429-F459 AromaticContact CG-CZ 3.59Å; Y429-F459 HydrophobicContact CG-CZ 3.59Å; H455-F459 VanDerWaalsContact O-CD2 3.31Å; H455-F459 WeakPolarHBondContact O-CD2 3.49Å; H455-F459 PolarHBondContact O-N 3.18Å; H455-F459 VanDerWaalsContact O-N 3.16Å; R456-F459 PolarHBondContact O-N 3.19Å; F459-L463 HydrophobicContact CD1-CD1 4.5Å; F459-L463 HydrophobicContact CD2-CD1 4.14Å; F459-L463 HydrophobicContact CE2-CD1 4.24Å; F459-L463 HydrophobicContact CG-CD1 4.3Å; F459-L463 HydrophobicContact CZ-CD1 4.45Å; F459-S464 WeakPolarHBondContact O-CB 3.41Å; F459-S464 PolarHBondContact O-N 3.35Å; F459-S464 VanDerWaalsContact O-N 3.14Å; F459-S464 PolarHBondContact O-OG 2.65Å
460D70.7Confident69.5Low90 Ų9068.6 Ų68.648%0.48135%0.354SS..Iπ-helixtrans-71.2-34.3-177.7-70.5-16.3000113.1R456 F457 Y458 S464R456-D460 WeakPolarHBondContact O-CB 3.43Å; R456-D460 PolarHBondContact O-N 2.79Å; F457-D460 PolarHBondContact O-N 2.93Å; Y458-D460 VanDerWaalsContact C-N 3.34Å; D460-S464 PolarHBondContact O-OG 2.92Å
461N61.2Low68.8Low67 Ų6763.3 Ų63.336%0.35833%0.329SS..Iπ-helixtrans-111.6-30.1-167.8-65.6-78.2000116F457 K465F457-N461 VanDerWaalsContact CD2-ND2 3.32Å; F457-N461 WeakPolarHBondContact CD2-ND2 3.16Å; F457-N461 WeakPolarHBondContact CE2-ND2 3.37Å; F457-N461 HydrophobicContact CZ-CB 4.44Å; F457-N461 VanDerWaalsContact O-CB 3.31Å; F457-N461 WeakPolarHBondContact O-CB 3.34Å; F457-N461 PolarHBondContact O-N 3.19Å; F457-N461 PolarHBondContact O-ND2 3.47Å; N461-K465 WeakPolarHBondContact O-CD 3.33Å
462L63.5Low68.6Low56 Ų5662.7 Ų62.729%0.29332%0.322SS..Iπ-helixtrans-112.3-48.1-170.2-76.7132000112.3F457 Y458 L537F457-L462 HydrophobicContact CE1-CD1 4.38Å; Y458-L462 HydrophobicContact CD1-CD1 3.62Å; Y458-L462 HydrophobicContact CE1-CD1 4.08Å; Y458-L462 HydrophobicContact CG-CD1 4.37Å; Y458-L462 WeakPolarHBondContact O-CA 3.29Å; Y458-L462 WeakPolarHBondContact O-CB 3.34Å; Y458-L462 PolarHBondContact O-N 3.33Å; L462-L537 HydrophobicContact CD2-CD2 3.34Å
463L61.2Low68.3Low17 Ų1762.5 Ų62.59%0.08932%0.322CS..Iπ-helixtrans-82.8-38.5-175.5-63.8166.4000112.1V421 Y458 F459 K465 N466 A535V421-L463 HydrophobicContact CG1-CD1 4.21Å; V421-L463 WeakPolarHBondContact O-CD1 3.34Å; Y458-L463 PolarHBondContact O-N 3.41Å; F459-L463 HydrophobicContact CD1-CD1 4.5Å; F459-L463 HydrophobicContact CD2-CD1 4.14Å; F459-L463 HydrophobicContact CE2-CD1 4.24Å; F459-L463 HydrophobicContact CG-CD1 4.3Å; F459-L463 HydrophobicContact CZ-CD1 4.45Å; L463-K465 PolarHBondContact O-N 3.41Å; L463-K465 VanDerWaalsContact O-N 3.14Å; L463-N466 PolarHBondContact O-N 3.08Å; L463-A535 HydrophobicContact CD2-CB 3.91Å; L463-A535 HydrophobicContact CG-CB 4.36Å
464S56.1Low68.4Low64 Ų6456.6 Ų56.645%0.44829%0.291SS..THydrogen-bonded Turntrans-61.3-21.6178.264.60000114.7F459 D460F459-S464 WeakPolarHBondContact O-CB 3.41Å; F459-S464 PolarHBondContact O-N 3.35Å; F459-S464 VanDerWaalsContact O-N 3.14Å; F459-S464 PolarHBondContact O-OG 2.65Å; D460-S464 PolarHBondContact O-OG 2.92Å
465K52.8Low68.5Low153 Ų15356.2 Ų56.267%0.66529%0.291SS*.THydrogen-bonded Turntrans-96.3-7.1-176.7-65.7-177.1-174.21640113.8N461 L463 S467N461-K465 WeakPolarHBondContact O-CD 3.33Å; L463-K465 PolarHBondContact O-N 3.41Å; L463-K465 VanDerWaalsContact O-N 3.14Å; K465-S467 PolarHBondContact O-N 3.04Å
466N58.5Low68.6Low30 Ų3058.3 Ų58.316%0.1630%0.302CS..  trans-85.2100.8-175.6-149.6-12.5000110.4L463 Q538L463-N466 PolarHBondContact O-N 3.08Å; N466-Q538 PolarHBondContact OD1-NE2 3.35Å
467S55.9Low68.9Low101 Ų10154 Ų5471%0.70629%0.289SS*.  trans-87.7-4.2-177.860.80000114.1K465K465-S467 PolarHBondContact O-N 3.04Å
468K65.3Low69.6Low66 Ų6653.7 Ų53.729%0.28729%0.289SS..SBendtrans-96.4143.9-175.9-60.8-171.4-170.6179.90110.7I470 V498 D499K468-I470 PolarHBondContact O-N 3.36Å; K468-V498 HydrophobicContact CB-CB 4.36Å; K468-V498 HydrophobicContact CD-CB 3.77Å; K468-V498 HydrophobicContact CD-CG1 3.74Å; K468-D499 PolarHBondContact NZ-O 3.47Å
469P62.4Low70.8Confident110 Ų11053.2 Ų53.271%0.71429%0.289SS*.  trans-62.4128.5-179.623-31.3000111.1
470I65.8Low71.8Confident39 Ų3958.5 Ų58.520%0.231%0.313CS..  trans-105.4129.4171.3-58.4174.4000107.4K468 T495 Q496 F497 P536K468-I470 PolarHBondContact O-N 3.36Å; I470-T495 HydrophobicContact CG2-CG2 3.36Å; I470-Q496 CarbonylContact C-O 3.57Å; I470-Q496 WeakPolarHBondContact CA-O 3.42Å; I470-F497 HydrophobicContact CG1-CB 4.16Å; I470-P536 HydrophobicContact CD1-CG 4.01Å
471H74.1Confident72.9Confident43 Ų4356.1 Ų56.120%0.19930%0.3CS..EExtended strand (participates in β ladder)trans-108.6124.5173.1178.3-99.4000109.1Q376 T473 T495 Q496Q376-H471 PolarHBondContact O-CD2 3.49Å; Q376-H471 PolarHBondContact O-NE2 2.86Å; H471-T473 PolarHBondContact CE1-OG1 3.09Å; H471-T473 VanDerWaalsContact CE1-OG1 3.23Å; H471-T495 CarbonylContact O-C 3.45Å; H471-Q496 HydrophobicContact CB-CB 4.29Å; H471-Q496 PolarHBondContact N-O 3Å; H471-Q496 PolarHBondContact ND1-OE1 2.93Å; H471-Q496 PolarHBondContact O-N 3.28Å
472T74.9Confident74.4Confident2 Ų257.6 Ų57.61%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-113.9138.1178.7-63.40000109.6T378 I418 N422 R493 L494T378-T472 WeakPolarHBondContact CA-O 3.37Å; T378-T472 WeakPolarHBondContact CB-O 3.36Å; T378-T472 WeakPolarHBondContact CG2-O 3.46Å; T378-T472 PolarHBondContact OG1-O 2.64Å; I418-T472 HydrophobicContact CG2-CG2 3.96Å; N422-T472 WeakPolarHBondContact ND2-CB 3.31Å; N422-T472 PolarHBondContact ND2-OG1 3.2Å; N422-T472 PolarHBondContact OD1-OG1 2.95Å; T472-R493 HydrophobicContact CG2-CG 3.43Å; T472-R493 VanDerWaalsContact CG2-CG 3.43Å; T472-L494 CarbonylContact C-O 3.58Å; T472-L494 VanDerWaalsContact CA-O 3.26Å; T472-L494 WeakPolarHBondContact CA-O 3.32Å
473T79.1Confident75.6Confident17 Ų1757.8 Ų57.810%0.10432%0.322CS..EExtended strand (participates in β ladder)trans-121.6133.2174.1-56.60000107.9V379 H471 L475 L494V379-T473 HydrophobicContact CB-CG2 4.31Å; V379-T473 WeakPolarHBondContact O-CG2 2.88Å; H471-T473 PolarHBondContact CE1-OG1 3.09Å; H471-T473 VanDerWaalsContact CE1-OG1 3.23Å; T473-L475 HydrophobicContact CG2-CD2 3.6Å; T473-L475 HydrophobicContact CG2-CG 4.17Å; T473-L494 PolarHBondContact N-O 3.25Å; T473-L494 PolarHBondContact O-N 3.01Å
474I82.4Confident77Confident5 Ų563.4 Ų63.43%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-100.8121.1175.1-59.4173.6000107.2T378 V379 I380 H381 E415 I418 P477 Y491T378-I474 HydrophobicContact CG2-CD1 4.1Å; T378-I474 HydrophobicContact CG2-CG1 3.99Å; V379-I474 PolarHBondContact O-N 3.4Å; I380-I474 WeakPolarHBondContact CA-O 3.44Å; H381-I474 PolarHBondContact N-O 2.97Å; E415-I474 HydrophobicContact CG-CD1 4.07Å; I418-I474 HydrophobicContact CD1-CD1 3.42Å; I418-I474 VanDerWaalsContact CD1-CD1 3.42Å; I418-I474 HydrophobicContact CD1-CG1 4.01Å; I474-P477 HydrophobicContact CG2-CB 4.21Å; I474-P477 HydrophobicContact CG2-CG 4.45Å; I474-Y491 HydrophobicContact CG2-CD2 3.85Å; I474-Y491 HydrophobicContact CG2-CG 3.89Å
475L77.4Confident78.8Confident46 Ų4663.9 Ų63.924%0.24135%0.345CS..EExtended strand (participates in β ladder)trans-109.5135.2-179.4-55.2173000109H381 T473 I492H381-L475 HydrophobicContact CB-CD2 3.56Å; T473-L475 HydrophobicContact CG2-CD2 3.6Å; T473-L475 HydrophobicContact CG2-CG 4.17Å; L475-I492 HydrophobicContact CB-CB 4.16Å; L475-I492 HydrophobicContact CD1-CG2 4.46Å; L475-I492 PolarHBondContact N-O 3.34Å; L475-I492 PolarHBondContact O-N 2.91Å
476N81.5Confident80.9Confident52 Ų5257.7 Ų57.728%0.27832%0.322SS..EExtended strand (participates in β ladder)trans50.257.2172.8-50.4-12.8000113.8H381 P383 H478H381-N476 PolarHBondContact O-N 3.47Å; H381-N476 VanDerWaalsContact O-N 3.12Å; H381-N476 PolarHBondContact O-OD1 3.02Å; H381-N476 VanDerWaalsContact O-OD1 3.13Å; P383-N476 WeakPolarHBondContact CD-OD1 3.18Å; N476-H478 PolarHBondContact O-CD2 3.49Å; N476-H478 PolarHBondContact O-N 3.18Å
477P87.7Confident82.7Confident20 Ų2056.2 Ų56.213%0.1332%0.315CS..EExtended strand (participates in β ladder)trans-67.4121.3175.529.1-33000110.6I380 I474 I489 A490I380-P477 HydrophobicContact CG2-CG 3.89Å; I474-P477 HydrophobicContact CG2-CB 4.21Å; I474-P477 HydrophobicContact CG2-CG 4.45Å; P477-I489 HydrophobicContact CB-CD1 4.15Å; P477-A490 WeakPolarHBondContact CA-O 3.27Å
478H88.5Confident84.7Confident112 Ų11252.7 Ų52.752%0.51929%0.289SS..EExtended strand (participates in β ladder)trans-109.1116.5174.3-72.3-76.6000110N476 I489 A490N476-H478 PolarHBondContact O-CD2 3.49Å; N476-H478 PolarHBondContact O-N 3.18Å; H478-I489 CarbonylContact O-C 3.56Å; H478-I489 VanDerWaalsContact O-CA 3.29Å; H478-I489 WeakPolarHBondContact O-CA 3.32Å; H478-A490 PolarHBondContact N-O 2.98Å; H478-A490 PolarHBondContact O-N 3.42Å
479V93.9Very high86.2Confident18 Ų1849.7 Ų49.711%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-105.1124.9178.9-175.80000110.6K407 I410 I411 M481 C488 I489K407-V479 HydrophobicContact CB-CB 4.31Å; K407-V479 HydrophobicContact CB-CG1 4.28Å; K407-V479 HydrophobicContact CG-CB 4.07Å; K407-V479 HydrophobicContact CG-CG1 3.97Å; I410-V479 HydrophobicContact CB-CG1 3.93Å; I410-V479 HydrophobicContact CB-CG2 4.49Å; I410-V479 HydrophobicContact CG1-CG1 4.25Å; I410-V479 HydrophobicContact CG2-CG1 3.84Å; I410-V479 HydrophobicContact CG2-CG2 4.22Å; I411-V479 HydrophobicContact CD1-CG2 4.27Å; I411-V479 HydrophobicContact CG1-CG2 3.73Å; V479-M481 HydrophobicContact CG1-SD 4.01Å; V479-C488 CarbonylContact C-O 3.5Å; V479-C488 WeakPolarHBondContact CA-O 3.49Å; V479-I489 HydrophobicContact CG2-CB 4.24Å; V479-I489 HydrophobicContact CG2-CD1 3.82Å; V479-I489 HydrophobicContact CG2-CG1 3.8Å
480H94.1Very high87.7Confident121 Ų12146.1 Ų46.156%0.5626%0.256SS*.EExtended strand (participates in β ladder)trans-108.7114170.9-65.8-82.9000109.7A487 C488H480-A487 CarbonylContact O-C 3.54Å; H480-A487 VanDerWaalsContact O-CA 3.3Å; H480-A487 WeakPolarHBondContact O-CA 3.19Å; H480-C488 HydrophobicContact CB-CB 4.49Å; H480-C488 PolarHBondContact N-O 3.01Å; H480-C488 PolarHBondContact O-N 3.24Å
481M94.3Very high88.8Confident40 Ų4044.7 Ų44.720%0.19725%0.248CC..EExtended strand (participates in β ladder)trans-79.1134.2172-60.4-55.8-58.300109.6V403 R406 K407 I410 V479 A487 W522V403-M481 HydrophobicContact CG1-CG 4.23Å; R406-M481 HydrophobicContact CB-CE 3.8Å; R406-M481 HydrophobicContact CB-SD 4.26Å; K407-M481 HydrophobicContact CG-CG 4.01Å; K407-M481 HydrophobicContact CG-SD 4.3Å; I410-M481 HydrophobicContact CG1-SD 4.06Å; V479-M481 HydrophobicContact CG1-SD 4.01Å; M481-A487 HydrophobicContact CE-CB 4.11Å; M481-A487 HydrophobicContact SD-CB 3.89Å; M481-W522 HydrophobicContact CE-CH2 4.36Å; M481-W522 HydrophobicContact CE-CZ2 4.43Å
482I92.6Very high89.3Confident98 Ų9845 Ų4550%0.50325%0.251SS..EExtended strand (participates in β ladder)trans-123.389.4-179.6-53.2172.3000107.6A486 C488I482-A486 CarbonylContact C-O 3.55Å; I482-A486 WeakPolarHBondContact CA-O 3.39Å; I482-A486 HydrophobicContact CB-CB 4.01Å; I482-A486 HydrophobicContact CG2-CB 4.43Å; I482-A486 PolarHBondContact N-O 3.43Å; I482-A486 WeakPolarHBondContact O-CB 3.24Å; I482-A486 PolarHBondContact O-N 3.43Å; I482-A486 VanDerWaalsContact O-O 3.08Å; I482-C488 HydrophobicContact CD1-CB 4.44Å
483G90.2Very high89.9Confident59 Ų5945 Ų4561%0.60825%0.251SS*.THydrogen-bonded Turntrans67.2-149.5-172.100000112.5R406R406-G483 PolarHBondContact NH1-O 3.21Å
484E89Confident89.9Confident135 Ų13546.5 Ų46.563%0.63126%0.258SS*.THydrogen-bonded Turntrans-91.3-30.2-177.7-65.5-173.3-17700113.5R517E484-R517 PolarHBondContact O-NH2 3.37Å
485D94.3Very high89.7Confident74 Ų7446.5 Ų46.540%0.39626%0.258SS..THydrogen-bonded Turntrans-1143.9-168.7-63.9-44.5000114H516 R517 W522D485-H516 CarbonylContact O-C 3.49Å; D485-H516 VanDerWaalsContact O-CA 3.31Å; D485-H516 WeakPolarHBondContact O-CA 3.42Å; D485-R517 HydrophobicContact CB-CB 4.1Å; D485-R517 PolarHBondContact O-N 3.04Å; D485-R517 IonicContact OD1-CZ 3.52Å; D485-R517 IonicContact OD1-NE 3.21Å; D485-R517 PolarHBondContact OD1-NE 2.88Å; D485-R517 IonicContact OD1-NH2 2.85Å; D485-R517 PolarHBondContact OD1-NH2 2.99Å; D485-W522 WeakPolarHBondContact O-CZ3 3.46Å
486A96.1Very high89.8Confident23 Ų2347.6 Ų47.619%0.1926%0.262CS..EExtended strand (participates in β ladder)trans-133.4149.1176.100000112I482 W515I482-A486 CarbonylContact C-O 3.55Å; I482-A486 WeakPolarHBondContact CA-O 3.39Å; I482-A486 HydrophobicContact CB-CB 4.01Å; I482-A486 HydrophobicContact CG2-CB 4.43Å; I482-A486 PolarHBondContact N-O 3.43Å; I482-A486 WeakPolarHBondContact O-CB 3.24Å; I482-A486 PolarHBondContact O-N 3.43Å; I482-A486 VanDerWaalsContact O-O 3.08Å; A486-W515 WeakPolarHBondContact CA-O 3.4Å
487A97.4Very high89.3Confident0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-151.6156173.400000110.7I410 H480 M481 W515 W522I410-A487 HydrophobicContact CD1-CB 3.58Å; I410-A487 HydrophobicContact CG1-CB 3.64Å; I410-A487 HydrophobicContact CG2-CB 4.42Å; H480-A487 CarbonylContact O-C 3.54Å; H480-A487 VanDerWaalsContact O-CA 3.3Å; H480-A487 WeakPolarHBondContact O-CA 3.19Å; M481-A487 HydrophobicContact CE-CB 4.11Å; M481-A487 HydrophobicContact SD-CB 3.89Å; A487-W515 HydrophobicContact CB-CB 4.4Å; A487-W515 PolarHBondContact N-O 2.9Å; A487-W515 PolarHBondContact O-N 2.83Å; A487-W522 HydrophobicContact CB-CH2 4.3Å; A487-W522 HydrophobicContact CB-CZ3 4.31Å
488C96.9Very high88.6Confident26 Ų2647.4 Ų47.418%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-125.3140.1171.6-177.40000108.7V479 H480 I482 T512 R513V479-C488 CarbonylContact C-O 3.5Å; V479-C488 WeakPolarHBondContact CA-O 3.49Å; H480-C488 HydrophobicContact CB-CB 4.49Å; H480-C488 PolarHBondContact N-O 3.01Å; H480-C488 PolarHBondContact O-N 3.24Å; I482-C488 HydrophobicContact CD1-CB 4.44Å; C488-T512 VanDerWaalsContact SG-CG2 3.6Å; C488-R513 CarbonylContact C-O 3.52Å; C488-R513 WeakPolarHBondContact CA-O 3.49Å
489I96.6Very high88Confident3 Ų342.9 Ų42.92%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-127.3133.3171.9-172.1177.5000109.8I410 I411 T414 P477 H478 V479 Y491 T512 R513I410-I489 HydrophobicContact CG2-CB 4.02Å; I410-I489 HydrophobicContact CG2-CD1 4.49Å; I410-I489 HydrophobicContact CG2-CG2 4.24Å; I411-I489 HydrophobicContact CG1-CD1 4.22Å; T414-I489 HydrophobicContact CG2-CD1 4.21Å; T414-I489 HydrophobicContact CG2-CG2 4.23Å; T414-I489 WeakPolarHBondContact OG1-CG2 3.41Å; P477-I489 HydrophobicContact CB-CD1 4.15Å; H478-I489 CarbonylContact O-C 3.56Å; H478-I489 VanDerWaalsContact O-CA 3.29Å; H478-I489 WeakPolarHBondContact O-CA 3.32Å; V479-I489 HydrophobicContact CG2-CB 4.24Å; V479-I489 HydrophobicContact CG2-CD1 3.82Å; V479-I489 HydrophobicContact CG2-CG1 3.8Å; I489-Y491 HydrophobicContact CD1-CD1 4.27Å; I489-Y491 HydrophobicContact CG1-CD1 4.09Å; I489-Y491 HydrophobicContact CG2-CD1 4.46Å; I489-Y491 HydrophobicContact CG2-CE1 4.31Å; I489-T512 CarbonylContact O-C 3.59Å; I489-T512 VanDerWaalsContact O-CA 3.3Å; I489-T512 WeakPolarHBondContact O-CA 3.18Å; I489-R513 HydrophobicContact CG2-CB 3.85Å; I489-R513 PolarHBondContact N-O 2.93Å; I489-R513 PolarHBondContact O-N 3.23Å
490A93.9Very high86.9Confident35 Ų3544.4 Ų44.429%0.28926%0.259SS..EExtended strand (participates in β ladder)trans-120.1137.717200000109.5P477 H478 E511P477-A490 WeakPolarHBondContact CA-O 3.27Å; H478-A490 PolarHBondContact N-O 2.98Å; H478-A490 PolarHBondContact O-N 3.42Å; A490-E511 WeakPolarHBondContact CA-O 3.36Å
491Y90.1Very high86.1Confident9 Ų946.1 Ų46.14%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-156.3162.9-178.256.3-87.3000111.5T414 I418 I474 I489 R493 E511 R513T414-Y491 HydrophobicContact CG2-CD1 4.29Å; T414-Y491 HydrophobicContact CG2-CE1 3.53Å; I418-Y491 HydrophobicContact CD1-CE2 3.63Å; I474-Y491 HydrophobicContact CG2-CD2 3.85Å; I474-Y491 HydrophobicContact CG2-CG 3.89Å; I489-Y491 HydrophobicContact CD1-CD1 4.27Å; I489-Y491 HydrophobicContact CG1-CD1 4.09Å; I489-Y491 HydrophobicContact CG2-CD1 4.46Å; I489-Y491 HydrophobicContact CG2-CE1 4.31Å; Y491-R493 HydrophobicContact CD2-CB 4.25Å; Y491-R493 HydrophobicContact CE2-CB 4.09Å; Y491-E511 HydrophobicContact CD2-CB 4.15Å; Y491-E511 HydrophobicContact CE1-CB 4.12Å; Y491-E511 HydrophobicContact CE2-CB 3.54Å; Y491-E511 HydrophobicContact CE2-CG 4.18Å; Y491-E511 WeakPolarHBondContact CE2-OE2 3.39Å; Y491-E511 PolarHBondContact N-O 3.2Å; Y491-E511 PolarHBondContact O-N 3.25Å; Y491-E511 PolarHBondContact OH-OE2 3.38Å; Y491-R513 HydrophobicContact CE1-CG 4.48Å; Y491-R513 PolarHBondContact OH-NE 3.34Å
492I84.5Confident85.1Confident49 Ų4946.2 Ų46.225%0.25128%0.279SS..EExtended strand (participates in β ladder)trans-99.4128169.2-59.6170.7000107.8L475 Q508 S509 E510L475-I492 HydrophobicContact CB-CB 4.16Å; L475-I492 HydrophobicContact CD1-CG2 4.46Å; L475-I492 PolarHBondContact N-O 3.34Å; L475-I492 PolarHBondContact O-N 2.91Å; I492-Q508 HydrophobicContact CG2-CG 3.58Å; I492-S509 CarbonylContact C-O 3.46Å; I492-S509 WeakPolarHBondContact CA-O 3.37Å; I492-E510 HydrophobicContact CG1-CG 4.41Å
493R86.7Confident84.4Confident4 Ų446.1 Ų46.12%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-105.1117.3175.9-172.9-174.1173.9-159.4-3.6109.5N422 T472 Y491 Q508 S509 E511 A534N422-R493 PolarHBondContact OD1-NH2 3.34Å; T472-R493 HydrophobicContact CG2-CG 3.43Å; T472-R493 VanDerWaalsContact CG2-CG 3.43Å; Y491-R493 HydrophobicContact CD2-CB 4.25Å; Y491-R493 HydrophobicContact CE2-CB 4.09Å; R493-Q508 CarbonylContact O-C 3.59Å; R493-Q508 WeakPolarHBondContact O-CA 3.24Å; R493-S509 PolarHBondContact N-O 3.42Å; R493-S509 PolarHBondContact O-N 3.2Å; R493-E511 WeakPolarHBondContact CD-OE1 3.13Å; R493-E511 IonicContact CZ-OE1 2.96Å; R493-E511 IonicContact NE-OE1 3.74Å; R493-E511 IonicContact NH1-OE1 3.25Å; R493-E511 PolarHBondContact NH1-OE1 3.23Å; R493-A534 PolarHBondContact NH1-O 3.14Å; R493-A534 VanDerWaalsContact NH1-O 3.09Å
494L79.8Confident83.8Confident47 Ų4748.6 Ų48.625%0.24628%0.281CS..EExtended strand (participates in β ladder)trans-97.6124.3170-174.577.9000108.6T472 T473 Q496 S507 Q508T472-L494 CarbonylContact C-O 3.58Å; T472-L494 VanDerWaalsContact CA-O 3.26Å; T472-L494 WeakPolarHBondContact CA-O 3.32Å; T473-L494 PolarHBondContact N-O 3.25Å; T473-L494 PolarHBondContact O-N 3.01Å; L494-Q496 HydrophobicContact CD2-CG 4.48Å; L494-S507 CarbonylContact C-O 3.53Å; L494-S507 WeakPolarHBondContact CA-O 3.35Å; L494-Q508 HydrophobicContact CD1-CB 4.49Å
495T78.5Confident83.4Confident5 Ų548.5 Ų48.53%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-117.7116.7-179.7-58.50000109.7I470 H471 F497 S506 S507I470-T495 HydrophobicContact CG2-CG2 3.36Å; H471-T495 CarbonylContact O-C 3.45Å; T495-F497 HydrophobicContact CG2-CD1 4.33Å; T495-S506 CarbonylContact O-C 3.53Å; T495-S506 VanDerWaalsContact O-CA 3.26Å; T495-S506 WeakPolarHBondContact O-CA 3.36Å; T495-S507 PolarHBondContact N-O 3.45Å; T495-S507 PolarHBondContact O-N 2.87Å; T495-S507 PolarHBondContact O-OG 3.32Å
496Q78.2Confident82.7Confident69 Ų6948.7 Ų48.732%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-104.2128.9176.3-49.1179.3-71.800108.8I470 H471 L494 R505I470-Q496 CarbonylContact C-O 3.57Å; I470-Q496 WeakPolarHBondContact CA-O 3.42Å; H471-Q496 HydrophobicContact CB-CB 4.29Å; H471-Q496 PolarHBondContact N-O 3Å; H471-Q496 PolarHBondContact ND1-OE1 2.93Å; H471-Q496 PolarHBondContact O-N 3.28Å; L494-Q496 HydrophobicContact CD2-CG 4.48Å; Q496-R505 VanDerWaalsContact CA-O 3.28Å; Q496-R505 WeakPolarHBondContact CA-O 3.38Å
497F72.7Confident82.1Confident27 Ų2748.9 Ų48.912%0.11828%0.282CS..EExtended strand (participates in β ladder)trans-148.2168.6-174.861.8-85.1000110.3I470 T495 P504 R505 P536I470-F497 HydrophobicContact CG1-CB 4.16Å; T495-F497 HydrophobicContact CG2-CD1 4.33Å; F497-P504 CarbonylContact O-C 3.49Å; F497-P504 WeakPolarHBondContact O-CA 3.29Å; F497-R505 HydrophobicContact CD1-CB 4.38Å; F497-R505 HydrophobicContact CD2-CB 4.2Å; F497-R505 HydrophobicContact CE1-CB 3.99Å; F497-R505 HydrophobicContact CE2-CB 3.79Å; F497-R505 HydrophobicContact CE2-CG 4.21Å; F497-R505 HydrophobicContact CG-CB 4.48Å; F497-R505 HydrophobicContact CZ-CB 3.68Å; F497-R505 HydrophobicContact CZ-CG 4.39Å; F497-R505 PolarHBondContact N-O 3.28Å; F497-R505 PolarHBondContact O-N 3.31Å; F497-P536 HydrophobicContact CD1-CB 3.84Å; F497-P536 HydrophobicContact CD1-CG 4.5Å; F497-P536 HydrophobicContact CD2-CB 4.23Å; F497-P536 HydrophobicContact CE1-CB 3.77Å; F497-P536 HydrophobicContact CE2-CB 4.15Å; F497-P536 HydrophobicContact CG-CB 4.08Å; F497-P536 HydrophobicContact CZ-CB 3.92Å
498V72.3Confident81.5Confident42 Ų4253.4 Ų53.426%0.25530%0.303SS..EExtended strand (participates in β ladder)trans-104.2124.9174.1-179.60000108.5K468 G502 H503 Q538K468-V498 HydrophobicContact CB-CB 4.36Å; K468-V498 HydrophobicContact CD-CB 3.77Å; K468-V498 HydrophobicContact CD-CG1 3.74Å; V498-G502 VanDerWaalsContact CG1-CA 3.45Å; V498-G502 WeakPolarHBondContact CG1-O 3.27Å; V498-H503 CarbonylContact C-O 3.52Å; V498-H503 WeakPolarHBondContact CA-O 3.49Å; V498-Q538 PolarHBondContact O-NE2 3.41Å
499D75.8Confident81.1Confident17 Ų1752.3 Ų52.39%0.09130%0.296CS..  trans-72.7176-179.76822000112.6K468 Q501 G502 H503 R505K468-D499 PolarHBondContact NZ-O 3.47Å; D499-Q501 PolarHBondContact O-N 3.22Å; D499-Q501 VanDerWaalsContact O-N 3.15Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.43Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.4Å; D499-Q501 PolarHBondContact OD1-N 3.45Å; D499-G502 PolarHBondContact O-N 3.13Å; D499-G502 PolarHBondContact OD1-N 2.79Å; D499-G502 VanDerWaalsContact OD1-N 3.17Å; D499-H503 PolarHBondContact N-O 3.23Å; D499-H503 PolarHBondContact OD1-N 3.48Å; D499-H503 IonicContact OD1-ND1 2.79Å; D499-R505 HydrophobicContact CB-CG 3.9Å; D499-R505 IonicContact OD2-CZ 3.2Å; D499-R505 IonicContact OD2-NE 2.95Å; D499-R505 PolarHBondContact OD2-NE 3.03Å; D499-R505 IonicContact OD2-NH2 2.71Å; D499-R505 PolarHBondContact OD2-NH2 2.85Å
500G70.6Confident80.9Confident50 Ų5056 Ų5652%0.51531%0.313SS..THydrogen-bonded Turntrans-55.5-30.9-179.800000113.5G502G500-G502 VanDerWaalsContact C-N 3.3Å; G500-G502 PolarHBondContact O-N 3.43Å
501Q76.8Confident80.9Confident156 Ų15654.3 Ų54.373%0.72930%0.299SS*.THydrogen-bonded Turntrans-82.4-5.2179.4-60.1-175.2-1.100113.6D499D499-Q501 PolarHBondContact O-N 3.22Å; D499-Q501 VanDerWaalsContact O-N 3.15Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.43Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.4Å; D499-Q501 PolarHBondContact OD1-N 3.45Å
502G74.5Confident81.2Confident42 Ų4256.2 Ų56.243%0.43331%0.312SS..SBendtrans89.88-178.900000114V498 D499 G500V498-G502 VanDerWaalsContact CG1-CA 3.45Å; V498-G502 WeakPolarHBondContact CG1-O 3.27Å; D499-G502 PolarHBondContact O-N 3.13Å; D499-G502 PolarHBondContact OD1-N 2.79Å; D499-G502 VanDerWaalsContact OD1-N 3.17Å; G500-G502 VanDerWaalsContact C-N 3.3Å; G500-G502 PolarHBondContact O-N 3.43Å
503H76.7Confident81.8Confident97 Ų9754.1 Ų54.145%0.44930%0.301SS..  trans-88.7140.4178.7-59.4117.8000111.6V498 D499V498-H503 CarbonylContact C-O 3.52Å; V498-H503 WeakPolarHBondContact CA-O 3.49Å; D499-H503 PolarHBondContact N-O 3.23Å; D499-H503 PolarHBondContact OD1-N 3.48Å; D499-H503 IonicContact OD1-ND1 2.79Å
504P78.3Confident82.3Confident111 Ų11155.9 Ų55.972%0.72131%0.312SS*.EExtended strand (participates in β ladder)trans-68.7134.2172.129.4-33.3000110.4F497F497-P504 CarbonylContact O-C 3.49Å; F497-P504 WeakPolarHBondContact O-CA 3.29Å
505R80.4Confident83.2Confident133 Ų13353.6 Ų53.650%0.50230%0.3SS..EExtended strand (participates in β ladder)trans-127.7162.7177.2-63.8-59.6-170.8167.55.6110.1Q496 F497 D499Q496-R505 VanDerWaalsContact CA-O 3.28Å; Q496-R505 WeakPolarHBondContact CA-O 3.38Å; F497-R505 HydrophobicContact CD1-CB 4.38Å; F497-R505 HydrophobicContact CD2-CB 4.2Å; F497-R505 HydrophobicContact CE1-CB 3.99Å; F497-R505 HydrophobicContact CE2-CB 3.79Å; F497-R505 HydrophobicContact CE2-CG 4.21Å; F497-R505 HydrophobicContact CG-CB 4.48Å; F497-R505 HydrophobicContact CZ-CB 3.68Å; F497-R505 HydrophobicContact CZ-CG 4.39Å; F497-R505 PolarHBondContact N-O 3.28Å; F497-R505 PolarHBondContact O-N 3.31Å; D499-R505 HydrophobicContact CB-CG 3.9Å; D499-R505 IonicContact OD2-CZ 3.2Å; D499-R505 IonicContact OD2-NE 2.95Å; D499-R505 PolarHBondContact OD2-NE 3.03Å; D499-R505 IonicContact OD2-NH2 2.71Å; D499-R505 PolarHBondContact OD2-NH2 2.85Å
506S79.6Confident84.1Confident77 Ų7756.6 Ų56.654%0.53831%0.314SS..EExtended strand (participates in β ladder)trans-139.8138171.9-56.80000109.4T495T495-S506 CarbonylContact O-C 3.53Å; T495-S506 VanDerWaalsContact O-CA 3.26Å; T495-S506 WeakPolarHBondContact O-CA 3.36Å
507S83.3Confident84.9Confident28 Ų2856.5 Ų56.520%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-126155.5173.160.10000110L494 T495L494-S507 CarbonylContact C-O 3.53Å; L494-S507 WeakPolarHBondContact CA-O 3.35Å; T495-S507 PolarHBondContact N-O 3.45Å; T495-S507 PolarHBondContact O-N 2.87Å; T495-S507 PolarHBondContact O-OG 3.32Å
508Q86.4Confident85.7Confident94 Ų9460.8 Ų60.844%0.43933%0.326SS..EExtended strand (participates in β ladder)trans-125.8136.5177.5179.9-176.3-53.200109.1I492 R493 L494 E510 A532I492-Q508 HydrophobicContact CG2-CG 3.58Å; R493-Q508 CarbonylContact O-C 3.59Å; R493-Q508 WeakPolarHBondContact O-CA 3.24Å; L494-Q508 HydrophobicContact CD1-CB 4.49Å; Q508-E510 PolarHBondContact NE2-OE1 2.79Å; Q508-A532 WeakPolarHBondContact O-CB 3.25Å; Q508-A532 PolarHBondContact O-N 2.87Å
509S86.6Confident86.5Confident4 Ų466.4 Ų66.43%0.02835%0.354CS..EExtended strand (participates in β ladder)trans-129.7147.1167.1530000110.7I492 R493 E511 S530I492-S509 CarbonylContact C-O 3.46Å; I492-S509 WeakPolarHBondContact CA-O 3.37Å; R493-S509 PolarHBondContact N-O 3.42Å; R493-S509 PolarHBondContact O-N 3.2Å; S509-E511 PolarHBondContact OG-OE1 3.1Å; S509-S530 WeakPolarHBondContact CA-O 3.35Å; S509-S530 WeakPolarHBondContact CB-O 3.25Å
510E92.7Very high86.9Confident79 Ų7971 Ų7137%0.36939%0.387SS..EExtended strand (participates in β ladder)trans-96.5121.7166.6-60.778.9-14900108.3I492 Q508 C529 S530I492-E510 HydrophobicContact CG1-CG 4.41Å; Q508-E510 PolarHBondContact NE2-OE1 2.79Å; E510-C529 CarbonylContact O-C 3.48Å; E510-C529 WeakPolarHBondContact O-CA 3.3Å; E510-S530 PolarHBondContact N-O 3.43Å; E510-S530 PolarHBondContact O-N 3.35Å
511E94.2Very high87.9Confident1 Ų177.6 Ų77.61%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-122.4138.6-173.8-69.2-174.4-157.900111A490 Y491 R493 S509 R513 F527 H528 C529A490-E511 WeakPolarHBondContact CA-O 3.36Å; Y491-E511 HydrophobicContact CD2-CB 4.15Å; Y491-E511 HydrophobicContact CE1-CB 4.12Å; Y491-E511 HydrophobicContact CE2-CB 3.54Å; Y491-E511 HydrophobicContact CE2-CG 4.18Å; Y491-E511 WeakPolarHBondContact CE2-OE2 3.39Å; Y491-E511 PolarHBondContact N-O 3.2Å; Y491-E511 PolarHBondContact O-N 3.25Å; Y491-E511 PolarHBondContact OH-OE2 3.38Å; R493-E511 WeakPolarHBondContact CD-OE1 3.13Å; R493-E511 IonicContact CZ-OE1 2.96Å; R493-E511 IonicContact NE-OE1 3.74Å; R493-E511 IonicContact NH1-OE1 3.25Å; R493-E511 PolarHBondContact NH1-OE1 3.23Å; S509-E511 PolarHBondContact OG-OE1 3.1Å; E511-R513 IonicContact OE2-CZ 3.37Å; E511-R513 IonicContact OE2-NH2 3.55Å; E511-R513 PolarHBondContact OE2-NH2 3.48Å; E511-F527 HydrophobicContact CB-CE2 4.12Å; E511-F527 HydrophobicContact CG-CE2 3.91Å; E511-F527 HydrophobicContact CG-CZ 4.28Å; E511-H528 CarbonylContact C-O 3.51Å; E511-H528 WeakPolarHBondContact CA-O 3.39Å; E511-C529 HydrophobicContact CG-CB 4.44Å
512T96.3Very high88.8Confident49 Ų4970.9 Ų70.930%0.30137%0.365SS..EExtended strand (participates in β ladder)trans-126135.1171.3-60.40000109.5C488 I489 H528C488-T512 VanDerWaalsContact SG-CG2 3.6Å; I489-T512 CarbonylContact O-C 3.59Å; I489-T512 VanDerWaalsContact O-CA 3.3Å; I489-T512 WeakPolarHBondContact O-CA 3.18Å; T512-H528 PolarHBondContact N-O 3.33Å; T512-H528 PolarHBondContact O-N 2.94Å
513R97.7Very high89.8Confident4 Ų471 Ų712%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-129133.7176.9-66-172.3-173.1-73.2-12.4110.7C488 I489 Y491 E511 N524 H526 F527C488-R513 CarbonylContact C-O 3.52Å; C488-R513 WeakPolarHBondContact CA-O 3.49Å; I489-R513 HydrophobicContact CG2-CB 3.85Å; I489-R513 PolarHBondContact N-O 2.93Å; I489-R513 PolarHBondContact O-N 3.23Å; Y491-R513 HydrophobicContact CE1-CG 4.48Å; Y491-R513 PolarHBondContact OH-NE 3.34Å; E511-R513 IonicContact OE2-CZ 3.37Å; E511-R513 IonicContact OE2-NH2 3.55Å; E511-R513 PolarHBondContact OE2-NH2 3.48Å; R513-N524 PolarHBondContact NH1-OD1 2.73Å; R513-H526 WeakPolarHBondContact CA-O 3.27Å; R513-F527 HydrophobicContact CG-CD2 4Å; R513-F527 VanDerWaalsContact CZ-CD2 3.4Å; R513-F527 VanDerWaalsContact CZ-CE2 3.5Å
514V98Very high90.8Very high41 Ų4166.4 Ų66.425%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-103.7128172-1720000108.8N524 V525 H526V514-N524 WeakPolarHBondContact O-CA 3.49Å; V514-N524 PolarHBondContact O-ND2 2.74Å; V514-V525 HydrophobicContact CB-CG2 4.02Å; V514-V525 HydrophobicContact CG1-CG2 3.82Å; V514-V525 WeakPolarHBondContact O-CG2 3.38Å; V514-V525 PolarHBondContact O-N 3.17Å; V514-H526 HydrophobicContact CB-CB 3.92Å; V514-H526 HydrophobicContact CG2-CB 3.92Å; V514-H526 PolarHBondContact N-O 3.19Å
515W98.1Very high91.7Very high0 Ų062.6 Ų62.60%031%0.307CS..EExtended strand (participates in β ladder)trans-111.6137.7-177.9-64.295.1000109.6I410 I413 T414 L417 I432 A486 A487 W522 Q523 N524I410-W515 HydrophobicContact CD1-CB 4.1Å; I410-W515 HydrophobicContact CD1-CG 4.24Å; I410-W515 HydrophobicContact CG2-CG 4.5Å; I413-W515 HydrophobicContact CB-CH2 4.19Å; I413-W515 HydrophobicContact CB-CZ3 4.25Å; I413-W515 HydrophobicContact CG1-CE3 4.25Å; I413-W515 HydrophobicContact CG1-CH2 3.65Å; I413-W515 HydrophobicContact CG1-CZ3 3.47Å; I413-W515 VanDerWaalsContact CG1-CZ3 3.47Å; I413-W515 HydrophobicContact CG2-CD2 3.98Å; I413-W515 HydrophobicContact CG2-CE3 3.89Å; I413-W515 HydrophobicContact CG2-CH2 3.76Å; I413-W515 HydrophobicContact CG2-CZ2 3.86Å; I413-W515 HydrophobicContact CG2-CZ3 3.77Å; T414-W515 WeakPolarHBondContact OG1-CZ2 3.32Å; T414-W515 PolarHBondContact OG1-NE1 2.84Å; L417-W515 HydrophobicContact CB-CH2 4.14Å; L417-W515 HydrophobicContact CD1-CH2 3.63Å; L417-W515 HydrophobicContact CD1-CZ2 4.08Å; I432-W515 HydrophobicContact CG2-CH2 3.6Å; I432-W515 HydrophobicContact CG2-CZ3 3.52Å; A486-W515 WeakPolarHBondContact CA-O 3.4Å; A487-W515 HydrophobicContact CB-CB 4.4Å; A487-W515 PolarHBondContact N-O 2.9Å; A487-W515 PolarHBondContact O-N 2.83Å; W515-W522 HydrophobicContact CB-CE3 3.74Å; W515-W522 HydrophobicContact CB-CZ3 4.11Å; W515-W522 HydrophobicContact CE3-CB 4.1Å; W515-Q523 CarbonylContact C-O 3.58Å; W515-Q523 WeakPolarHBondContact CA-O 3.4Å; W515-N524 HydrophobicContact CD2-CB 4.45Å; W515-N524 HydrophobicContact CE3-CB 4.04Å; W515-N524 HydrophobicContact CH2-CB 4.01Å; W515-N524 HydrophobicContact CZ2-CB 4.39Å; W515-N524 HydrophobicContact CZ3-CB 3.82Å
516H97.1Very high92.5Very high67 Ų6758.6 Ų58.631%0.3129%0.294SS..EExtended strand (participates in β ladder)trans-131.2134.8172.4-170.6-84.5000109.6D485 R518 Q523 V525D485-H516 CarbonylContact O-C 3.49Å; D485-H516 VanDerWaalsContact O-CA 3.31Å; D485-H516 WeakPolarHBondContact O-CA 3.42Å; H516-R518 VanDerWaalsContact ND1-CG 3.31Å; H516-R518 WeakPolarHBondContact ND1-CG 3.48Å; H516-Q523 PolarHBondContact N-O 2.95Å; H516-Q523 PolarHBondContact O-N 3Å; H516-V525 HydrophobicContact CB-CG1 3.68Å; H516-V525 HydrophobicContact CB-CG2 4.2Å
517R94.7Very high93.3Very high68 Ų6855.2 Ų55.226%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-89.7121.3179.2-164168.363.9173.90.2109.1E484 D485 R521 W522E484-R517 PolarHBondContact O-NH2 3.37Å; D485-R517 HydrophobicContact CB-CB 4.1Å; D485-R517 PolarHBondContact O-N 3.04Å; D485-R517 IonicContact OD1-CZ 3.52Å; D485-R517 IonicContact OD1-NE 3.21Å; D485-R517 PolarHBondContact OD1-NE 2.88Å; D485-R517 IonicContact OD1-NH2 2.85Å; D485-R517 PolarHBondContact OD1-NH2 2.99Å; R517-R521 CarbonylContact C-O 3.58Å; R517-R521 VanDerWaalsContact CA-O 3.3Å; R517-R521 WeakPolarHBondContact CA-O 3.45Å; R517-W522 HydrophobicContact CB-CD2 4.08Å; R517-W522 HydrophobicContact CB-CE3 3.84Å; R517-W522 HydrophobicContact CB-CH2 4.13Å; R517-W522 HydrophobicContact CB-CZ2 4.34Å; R517-W522 HydrophobicContact CB-CZ3 3.88Å; R517-W522 HydrophobicContact CG-CD2 4.37Å
518R90.8Very high93.8Very high117 Ų11757 Ų5744%0.44228%0.275SS..EExtended strand (participates in β ladder)trans-129.7133.4173.8-61-172.2-177.3160.98108.5D434 H516 S520 R521D434-R518 IonicContact OD2-CZ 3.42Å; D434-R518 VanDerWaalsContact OD2-CZ 3.25Å; D434-R518 IonicContact OD2-NH1 3.59Å; D434-R518 PolarHBondContact OD2-NH1 2.72Å; D434-R518 IonicContact OD2-NH2 3.67Å; H516-R518 VanDerWaalsContact ND1-CG 3.31Å; H516-R518 WeakPolarHBondContact ND1-CG 3.48Å; R518-S520 PolarHBondContact O-N 2.98Å; R518-R521 PolarHBondContact N-O 3.2Å; R518-R521 PolarHBondContact O-N 2.81Å; R518-R521 VanDerWaalsContact O-O 3.13Å
519D87.8Confident94Very high160 Ų16052.7 Ų52.786%0.85626%0.255SS*.THydrogen-bonded Turntrans49.243.9-177.2-55-41.3000113R521D519-R521 PolarHBondContact O-N 3.47Å
520S85Confident94Very high112 Ų11255 Ų5578%0.78327%0.272SS*.THydrogen-bonded Turntrans60.622.4-176.8-52.40000115.2R518R518-S520 PolarHBondContact O-N 2.98Å
521R90.5Very high93.4Very high189 Ų18954 Ų5471%0.71328%0.283SS*.EExtended strand (participates in β ladder)trans-124.7133.2175.1-64.8-176.8179.2-175.31.1111.4R517 R518 D519R517-R521 CarbonylContact C-O 3.58Å; R517-R521 VanDerWaalsContact CA-O 3.3Å; R517-R521 WeakPolarHBondContact CA-O 3.45Å; R518-R521 PolarHBondContact N-O 3.2Å; R518-R521 PolarHBondContact O-N 2.81Å; R518-R521 VanDerWaalsContact O-O 3.13Å; D519-R521 PolarHBondContact O-N 3.47Å
522W95.3Very high92.2Very high16 Ų1655.2 Ų55.26%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-72.9128.9172.5-71.1108.5000110.7E409 I410 I413 M481 D485 A487 W515 R517E409-W522 PolarHBondContact OE1-NE1 3Å; E409-W522 PolarHBondContact OE2-NE1 3.07Å; I410-W522 HydrophobicContact CD1-CD2 3.67Å; I410-W522 HydrophobicContact CD1-CE3 3.85Å; I410-W522 HydrophobicContact CD1-CG 4.26Å; I410-W522 HydrophobicContact CD1-CH2 4.01Å; I410-W522 HydrophobicContact CD1-CZ2 3.84Å; I410-W522 HydrophobicContact CD1-CZ3 4.01Å; I413-W522 HydrophobicContact CG1-CB 4.36Å; I413-W522 HydrophobicContact CG2-CB 4.42Å; M481-W522 HydrophobicContact CE-CH2 4.36Å; M481-W522 HydrophobicContact CE-CZ2 4.43Å; D485-W522 WeakPolarHBondContact O-CZ3 3.46Å; A487-W522 HydrophobicContact CB-CH2 4.3Å; A487-W522 HydrophobicContact CB-CZ3 4.31Å; W515-W522 HydrophobicContact CB-CE3 3.74Å; W515-W522 HydrophobicContact CB-CZ3 4.11Å; W515-W522 HydrophobicContact CE3-CB 4.1Å; R517-W522 HydrophobicContact CB-CD2 4.08Å; R517-W522 HydrophobicContact CB-CE3 3.84Å; R517-W522 HydrophobicContact CB-CH2 4.13Å; R517-W522 HydrophobicContact CB-CZ2 4.34Å; R517-W522 HydrophobicContact CB-CZ3 3.88Å; R517-W522 HydrophobicContact CG-CD2 4.37Å
523Q97.2Very high90.6Very high44 Ų4455.2 Ų55.221%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-122.9135.9174.2-64.2-175.3-54.200110.4I432 W515 H516 V525I432-Q523 CarbonylContact O-C 3.58Å; I432-Q523 WeakPolarHBondContact O-CA 3.45Å; W515-Q523 CarbonylContact C-O 3.58Å; W515-Q523 WeakPolarHBondContact CA-O 3.4Å; H516-Q523 PolarHBondContact N-O 2.95Å; H516-Q523 PolarHBondContact O-N 3Å; Q523-V525 PolarHBondContact O-N 2.81Å
524N97.5Very high88.5Confident0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-76.7117.5172.4-176.6-145.6000108.9L417 I432 D434 R513 V514 W515 H526L417-N524 HydrophobicContact CD1-CB 3.75Å; I432-N524 PolarHBondContact O-N 3.03Å; D434-N524 WeakPolarHBondContact CB-O 3.5Å; D434-N524 PolarHBondContact N-O 3.39Å; R513-N524 PolarHBondContact NH1-OD1 2.73Å; V514-N524 WeakPolarHBondContact O-CA 3.49Å; V514-N524 PolarHBondContact O-ND2 2.74Å; W515-N524 HydrophobicContact CD2-CB 4.45Å; W515-N524 HydrophobicContact CE3-CB 4.04Å; W515-N524 HydrophobicContact CH2-CB 4.01Å; W515-N524 HydrophobicContact CZ2-CB 4.39Å; W515-N524 HydrophobicContact CZ3-CB 3.82Å; N524-H526 PolarHBondContact ND2-O 3.44Å
525V97.4Very high86.3Confident31 Ų3154 Ų5419%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-104.6-22.7-176.2-65.60000113D434 T438 V514 H516 Q523D434-V525 HydrophobicContact CB-CG1 3.95Å; T438-V525 PolarHBondContact N-O 3.3Å; T438-V525 VanDerWaalsContact N-O 3.15Å; T438-V525 PolarHBondContact OG1-O 3.26Å; V514-V525 HydrophobicContact CB-CG2 4.02Å; V514-V525 HydrophobicContact CG1-CG2 3.82Å; V514-V525 WeakPolarHBondContact O-CG2 3.38Å; V514-V525 PolarHBondContact O-N 3.17Å; H516-V525 HydrophobicContact CB-CG1 3.68Å; H516-V525 HydrophobicContact CB-CG2 4.2Å; Q523-V525 PolarHBondContact O-N 2.81Å
526H97.1Very high84.1Confident49 Ų4954.8 Ų54.823%0.22729%0.294CS..EExtended strand (participates in β ladder)trans-144.4142175-176.669.8000111.4T438 R513 V514 N524T438-H526 CarbonylContact O-C 3.57Å; T438-H526 VanDerWaalsContact O-CA 3.29Å; T438-H526 WeakPolarHBondContact O-CA 3.35Å; T438-H526 PolarHBondContact O-ND1 3.22Å; T438-H526 PolarHBondContact OG1-ND1 3.03Å; R513-H526 WeakPolarHBondContact CA-O 3.27Å; V514-H526 HydrophobicContact CB-CB 3.92Å; V514-H526 HydrophobicContact CG2-CB 3.92Å; V514-H526 PolarHBondContact N-O 3.19Å; N524-H526 PolarHBondContact ND2-O 3.44Å
527F95.5Very high81.7Confident6 Ų656.3 Ų56.33%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-130.6134.8175.5171.4-128.4000110.4L437 T438 S439 F440 E441 E511 R513 C529 A534L437-F527 HydrophobicContact CD1-CB 4.41Å; T438-F527 PolarHBondContact O-N 3.26Å; S439-F527 CarbonylContact C-O 3.6Å; S439-F527 VanDerWaalsContact CA-O 3.23Å; S439-F527 WeakPolarHBondContact CA-O 3.27Å; F440-F527 PolarHBondContact N-O 3.4Å; E441-F527 HydrophobicContact CB-CE1 4.39Å; E441-F527 WeakPolarHBondContact OE2-CE1 3.16Å; E511-F527 HydrophobicContact CB-CE2 4.12Å; E511-F527 HydrophobicContact CG-CE2 3.91Å; E511-F527 HydrophobicContact CG-CZ 4.28Å; R513-F527 HydrophobicContact CG-CD2 4Å; R513-F527 VanDerWaalsContact CZ-CD2 3.4Å; R513-F527 VanDerWaalsContact CZ-CE2 3.5Å; F527-C529 HydrophobicContact CE1-CB 3.97Å; F527-C529 HydrophobicContact CE2-CB 4.08Å; F527-C529 HydrophobicContact CZ-CB 3.5Å; F527-A534 HydrophobicContact CE1-CB 4.42Å; F527-A534 HydrophobicContact CZ-CB 4.35Å
528H93.8Very high79.4Confident66 Ų6657.2 Ų57.231%0.30631%0.311SS..EExtended strand (participates in β ladder)trans-129.5127.2170.7-171.6174.8000109.2F440 E511 T512F440-H528 AromaticContact CD1-CD2 3.72Å; F440-H528 AromaticContact CD1-NE2 3.48Å; F440-H528 WeakPolarHBondContact CD1-NE2 3.22Å; F440-H528 CarbonylContact O-C 3.6Å; F440-H528 VanDerWaalsContact O-CA 3.24Å; F440-H528 WeakPolarHBondContact O-CA 3.27Å; F440-H528 PolarHBondContact O-CD2 2.69Å; F440-H528 VanDerWaalsContact O-CD2 3.25Å; E511-H528 CarbonylContact C-O 3.51Å; E511-H528 WeakPolarHBondContact CA-O 3.39Å; T512-H528 PolarHBondContact N-O 3.33Å; T512-H528 PolarHBondContact O-N 2.94Å
529C90.6Very high76.9Confident3 Ų358.2 Ų58.22%0.0236%0.357CS..EExtended strand (participates in β ladder)trans-118.8136.5171.8-168.50000110.8F440 E441 E510 E511 F527F440-C529 PolarHBondContact O-N 3.21Å; E441-C529 HydrophobicContact CB-CB 3.94Å; E510-C529 CarbonylContact O-C 3.48Å; E510-C529 WeakPolarHBondContact O-CA 3.3Å; E511-C529 HydrophobicContact CG-CB 4.44Å; F527-C529 HydrophobicContact CE1-CB 3.97Å; F527-C529 HydrophobicContact CE2-CB 4.08Å; F527-C529 HydrophobicContact CZ-CB 3.5Å
530S86.9Confident76.3Confident53 Ų5353.1 Ų53.137%0.37133%0.332SS..EExtended strand (participates in β ladder)trans-127157.2171.3-75.30000110.7S509 E510S509-S530 WeakPolarHBondContact CA-O 3.35Å; S509-S530 WeakPolarHBondContact CB-O 3.25Å; E510-S530 PolarHBondContact N-O 3.43Å; E510-S530 PolarHBondContact O-N 3.35Å
531G79.8Confident75.9Confident59 Ų5950 Ų5061%0.60831%0.309SS*.EExtended strand (participates in β ladder)trans91.2-123.8-179.900000113.1
532A69.7Low75Confident26 Ų2642.3 Ų42.322%0.21529%0.286CS..SBendtrans-72.5155.2178.300000111.8Q508Q508-A532 WeakPolarHBondContact O-CB 3.25Å; Q508-A532 PolarHBondContact O-N 2.87Å
533P61.3Low73.9Confident48 Ų4843.8 Ų43.831%0.31230%0.299SS..  trans-48.6140.5171.6-26.234.3000111.6E443 A535 L537E443-P533 HydrophobicContact CG-CB 4.46Å; E443-P533 WeakPolarHBondContact OE1-CA 3.35Å; E443-P533 WeakPolarHBondContact OE1-CB 3.29Å; P533-A535 WeakPolarHBondContact CB-O 3.41Å; P533-A535 PolarHBondContact O-N 3.49Å; P533-A535 VanDerWaalsContact O-N 3.16Å; P533-L537 HydrophobicContact CB-CD1 4.07Å; P533-L537 HydrophobicContact CB-CG 4.35Å; P533-L537 HydrophobicContact CG-CD1 3.79Å; P533-L537 HydrophobicContact CG-CG 4.44Å
534A53.7Low72.4Confident14 Ų1443.8 Ų43.812%0.11631%0.305CS..SBendtrans-64.2-21.5-176.800000112.3E443 R493 F527E443-A534 PolarHBondContact OE1-N 3.45Å; R493-A534 PolarHBondContact NH1-O 3.14Å; R493-A534 VanDerWaalsContact NH1-O 3.09Å; F527-A534 HydrophobicContact CE1-CB 4.42Å; F527-A534 HydrophobicContact CZ-CB 4.35Å
535A53.1Low70.7Confident6 Ų646.7 Ų46.75%0.0533%0.326CS..SBendtrans-114.7133169.500000110.9L463 P533 L537L463-A535 HydrophobicContact CD2-CB 3.91Å; L463-A535 HydrophobicContact CG-CB 4.36Å; P533-A535 WeakPolarHBondContact CB-O 3.41Å; P533-A535 PolarHBondContact O-N 3.49Å; P533-A535 VanDerWaalsContact O-N 3.16Å; A535-L537 PolarHBondContact O-N 3.16Å
536P51.3Low68.8Low17 Ų1747.9 Ų47.911%0.1134%0.336CS..  trans-65.3104.3178.124.1-30.2000110.6I470 F497 Q538I470-P536 HydrophobicContact CD1-CG 4.01Å; F497-P536 HydrophobicContact CD1-CB 3.84Å; F497-P536 HydrophobicContact CD1-CG 4.5Å; F497-P536 HydrophobicContact CD2-CB 4.23Å; F497-P536 HydrophobicContact CE1-CB 3.77Å; F497-P536 HydrophobicContact CE2-CB 4.15Å; F497-P536 HydrophobicContact CG-CB 4.08Å; F497-P536 HydrophobicContact CZ-CB 3.92Å; P536-Q538 PolarHBondContact O-N 3Å
537L47.5Very low66.6Low99 Ų9947.8 Ų47.852%0.51834%0.344SS..  trans-68.8113173.9-70168000109.2L462 P533 A535 G539L462-L537 HydrophobicContact CD2-CD2 3.34Å; P533-L537 HydrophobicContact CB-CD1 4.07Å; P533-L537 HydrophobicContact CB-CG 4.35Å; P533-L537 HydrophobicContact CG-CD1 3.79Å; P533-L537 HydrophobicContact CG-CG 4.44Å; A535-L537 PolarHBondContact O-N 3.16Å; L537-G539 PolarHBondContact O-N 2.97Å
538Q46.5Very low64.2Low87 Ų8751.3 Ų51.341%0.40737%0.37SS..  trans-79.598.9168.3-73-178.2-0.100108.4N466 V498 P536N466-Q538 PolarHBondContact OD1-NE2 3.35Å; V498-Q538 PolarHBondContact O-NE2 3.41Å; P536-Q538 PolarHBondContact O-N 3Å
539G36.6Very low61.5Low137 Ų13749.9 Ų49.9100%1.41238%0.376SS*.  trans-80.10158.400000111.6L537L537-G539 PolarHBondContact O-N 2.97Å

Retrieved 539 of 539 residues in 1088.8 ms (Link to these results)

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