A0A060XV22_ONCMY Loading...

Muscle RAS oncogene homolog a

AlphaFold DB , UniProt , Accession A0A060XV22, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520207, Length 209 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
1M33.2Very low50.9Low243 Ų243108.8 Ų108.8100%1.19769%0.688SS**  0102.70-71.6-176.9172.700107.3T3M1-T3 PolarHBondContact O-N 2.8Å
2A34.9Very low53.8Low104 Ų104102.6 Ų102.686%0.8665%0.646SS**  trans-82.4113.6176.100000107.8S4A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.49Å
3T37.6Very low56.7Low139 Ų13999 Ų9985%0.85362%0.619SS**  trans-66.494.7170.944.40000108.1M1 S5M1-T3 PolarHBondContact O-N 2.8Å; T3-S5 VanDerWaalsContact C-N 3.31Å; T3-S5 PolarHBondContact O-N 3.35Å
4S44.4Very low59.5Low115 Ų11596.6 Ų96.680%0.80460%0.603SS**  trans-62.199.1161.3174.10000106.5A2 A6A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.49Å; S4-A6 PolarHBondContact O-N 2.86Å
5S50.2Low61.9Low66 Ų6690.7 Ų90.746%0.46257%0.565SS.*  trans-62.2105168.150.70000106.6T3 V7 W61T3-S5 VanDerWaalsContact C-N 3.31Å; T3-S5 PolarHBondContact O-N 3.35Å; S5-V7 PolarHBondContact O-N 2.9Å; S5-W61 WeakPolarHBondContact OG-CZ2 3.33Å
6A55.9Low64.1Low81 Ų8190.4 Ų90.467%0.66955%0.553SS**PPolyproline II helixtrans-52.3125.8173.900000108.4S4 P8S4-A6 PolarHBondContact O-N 2.86Å; A6-P8 VanDerWaalsContact O-CD 3.25Å; A6-P8 WeakPolarHBondContact O-CD 3.49Å; A6-P8 VanDerWaalsContact O-N 3.1Å
7V57.3Low66.1Low65 Ų6585.2 Ų85.239%0.39452%0.521SS..PPolyproline II helixtrans-57.1117.7173.9-178.10000106.7S5 S9 L12 W61S5-V7 PolarHBondContact O-N 2.9Å; V7-S9 PolarHBondContact O-N 3.37Å; V7-L12 HydrophobicContact CG1-CD1 3.87Å; V7-W61 HydrophobicContact CG1-CE3 4.21Å; V7-W61 HydrophobicContact CG1-CZ3 4.5Å; V7-W61 HydrophobicContact CG2-CE3 4.28Å; V7-W61 HydrophobicContact CG2-CH2 3.98Å; V7-W61 HydrophobicContact CG2-CZ3 3.77Å
8P58Low67.8Low56 Ų5680.7 Ų80.736%0.36449%0.493SS..PPolyproline II helixtrans-60.4132-177.3-21.131.8000109.7A6 D10A6-P8 VanDerWaalsContact O-CD 3.25Å; A6-P8 WeakPolarHBondContact O-CD 3.49Å; A6-P8 VanDerWaalsContact O-N 3.1Å; P8-D10 PolarHBondContact O-N 2.82Å
9S55.1Low69.3Low130 Ų13076.4 Ų76.491%0.90947%0.467SS*.SBendtrans-70.315.4178.154.60000114.2V7V7-S9 PolarHBondContact O-N 3.37Å
10D58.3Low70.5Confident128 Ų12872.7 Ų72.768%0.68445%0.445SS*.SBendtrans-86.5158.7180-81.3-26.8000111.4P8 L12P8-D10 PolarHBondContact O-N 2.82Å; D10-L12 VanDerWaalsContact C-N 3.28Å; D10-L12 WeakPolarHBondContact O-CG 3.37Å; D10-L12 PolarHBondContact O-N 3.27Å
11N75.5Confident71.7Confident70 Ų7069.2 Ų69.237%0.37442%0.423SS..  trans-52.283.7174.5-98.1-44.6000112.2K192N11-K192 WeakPolarHBondContact OD1-CE 3.38Å; N11-K192 PolarHBondContact OD1-NZ 3.35Å
12L85.6Confident74.5Confident34 Ų3458.9 Ų58.918%0.17837%0.373CS..PPolyproline II helixtrans-64.5143.2175.2-64.2-177.2000109.6V7 D10 W61 I63V7-L12 HydrophobicContact CG1-CD1 3.87Å; D10-L12 VanDerWaalsContact C-N 3.28Å; D10-L12 WeakPolarHBondContact O-CG 3.37Å; D10-L12 PolarHBondContact O-N 3.27Å; L12-W61 HydrophobicContact CD2-CB 3.68Å; L12-I63 HydrophobicContact CB-CD1 4.11Å; L12-I63 HydrophobicContact CB-CG1 3.9Å; L12-I63 HydrophobicContact CD1-CD1 4.47Å; L12-I63 HydrophobicContact CD1-CG1 4.04Å
13L91.6Very high77.1Confident56 Ų5655.5 Ų55.529%0.29335%0.348SS..EExtended strand (participates in β ladder)trans-74.8129.5172.9-66.4168.8000108.7Y15 A62 I63 L185L13-Y15 HydrophobicContact CB-CE2 4.27Å; L13-A62 WeakPolarHBondContact O-CA 3.43Å; L13-I63 PolarHBondContact O-N 3.37Å; L13-L185 HydrophobicContact CD1-CD2 3.49Å; L13-L185 VanDerWaalsContact CD1-CD2 3.49Å; L13-L185 HydrophobicContact CD2-CD2 3.93Å; L13-L185 HydrophobicContact CG-CD2 4.38Å
14T94.9Very high79.6Confident65 Ų6551.8 Ų51.840%0.39934%0.337SS..EExtended strand (participates in β ladder)trans-92.8129.2169.7-51.30000109I63 D65T14-I63 CarbonylContact C-O 3.59Å; T14-I63 VanDerWaalsContact CA-O 3.26Å; T14-I63 WeakPolarHBondContact CA-O 3.33Å; T14-I63 HydrophobicContact CG2-CB 4.29Å; T14-I63 HydrophobicContact CG2-CG2 4.18Å; T14-D65 HydrophobicContact CG2-CB 3.89Å
15Y96.9Very high82Confident9 Ų946.3 Ų46.34%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-110.4117.8171.2-59.6-70.3000108.9L13 L17 A62 I63 L64 D65 V173 I176 R177 I180L13-Y15 HydrophobicContact CB-CE2 4.27Å; Y15-L17 PolarHBondContact O-N 3.5Å; Y15-A62 HydrophobicContact CD2-CB 3.73Å; Y15-A62 HydrophobicContact CE2-CB 3.48Å; Y15-A62 VanDerWaalsContact CE2-CB 3.48Å; Y15-I63 PolarHBondContact N-O 3.09Å; Y15-L64 HydrophobicContact CD2-CD2 3.97Å; Y15-D65 PolarHBondContact O-N 3.36Å; Y15-V173 HydrophobicContact CD2-CG1 3.85Å; Y15-V173 HydrophobicContact CD2-CG2 4.41Å; Y15-V173 HydrophobicContact CE2-CG1 3.78Å; Y15-V173 HydrophobicContact CG-CG1 4.43Å; Y15-I176 HydrophobicContact CD1-CG2 3.74Å; Y15-I176 HydrophobicContact CE1-CG2 3.89Å; Y15-R177 HydrophobicContact CE1-CG 4.43Å; Y15-R177 WeakPolarHBondContact OH-CG 3.45Å; Y15-R177 PolarHBondContact OH-NE 3.21Å; Y15-I180 HydrophobicContact CE1-CD1 4.44Å
16K96.6Very high84.2Confident86 Ų8643.9 Ų43.937%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-85.1103.5176.4-64.7-174.3173.8-164.20110D65 G86 D87 G88K16-D65 CarbonylContact C-O 3.52Å; K16-D65 VanDerWaalsContact CA-O 3.3Å; K16-D65 WeakPolarHBondContact CA-O 3.22Å; K16-D65 HydrophobicContact CG-CB 4.23Å; K16-G86 CarbonylContact O-C 3.59Å; K16-D87 PolarHBondContact N-OD2 3.12Å; K16-D87 PolarHBondContact O-N 3.47Å; K16-G88 PolarHBondContact O-N 3.26Å
17L97.6Very high86Confident1 Ų140.4 Ų40.41%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-100.7136.6-179.9-45.2-176.2000108.9Y15 L64 D65 V66 L67 G88 F169 L172 V173 I176Y15-L17 PolarHBondContact O-N 3.5Å; L17-L64 HydrophobicContact CD1-CD1 4.28Å; L17-L64 HydrophobicContact CD1-CD2 4.33Å; L17-D65 PolarHBondContact N-O 3.14Å; L17-V66 HydrophobicContact CB-CG2 4.19Å; L17-V66 HydrophobicContact CD1-CG2 4.19Å; L17-V66 HydrophobicContact CG-CG2 4.43Å; L17-V66 CarbonylContact O-C 3.6Å; L17-V66 WeakPolarHBondContact O-CA 3.43Å; L17-L67 PolarHBondContact O-N 3.15Å; L17-G88 WeakPolarHBondContact CA-O 3.33Å; L17-F169 HydrophobicContact CD1-CD1 4.12Å; L17-L172 HydrophobicContact CB-CD2 4.11Å; L17-L172 HydrophobicContact CD1-CD2 4.38Å; L17-L172 HydrophobicContact CD2-CD2 3.84Å; L17-L172 HydrophobicContact CD2-CG 4.1Å; L17-L172 HydrophobicContact CG-CD2 4.32Å; L17-V173 HydrophobicContact CD1-CG2 4.09Å; L17-V173 HydrophobicContact CD2-CG2 4.35Å; L17-I176 HydrophobicContact CD2-CD1 3.45Å; L17-I176 VanDerWaalsContact CD2-CD1 3.45Å
18V96.5Very high87.7Confident4 Ų438 Ų382%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-119.6129.7178.1-174.20000109.4V20 L67 T69 Y82 G88 F89 L90V18-V20 HydrophobicContact CG1-CG1 3.79Å; V18-L67 HydrophobicContact CG1-CB 4.46Å; V18-L67 HydrophobicContact CG1-CD2 4.33Å; V18-L67 HydrophobicContact CG2-CB 4.43Å; V18-T69 HydrophobicContact CG1-CG2 4.04Å; V18-Y82 HydrophobicContact CG1-CD2 3.77Å; V18-Y82 HydrophobicContact CG1-CE2 4.27Å; V18-Y82 HydrophobicContact CG1-CG 4.36Å; V18-G88 PolarHBondContact N-O 2.72Å; V18-F89 HydrophobicContact CB-CD1 3.63Å; V18-F89 HydrophobicContact CB-CE1 3.67Å; V18-F89 HydrophobicContact CG1-CD1 4.09Å; V18-F89 HydrophobicContact CG1-CE1 4.03Å; V18-F89 HydrophobicContact CG2-CD1 4.34Å; V18-F89 HydrophobicContact CG2-CE1 3.93Å; V18-F89 HydrophobicContact CG2-CZ 4.46Å; V18-F89 CarbonylContact O-C 3.48Å; V18-F89 VanDerWaalsContact O-CA 3.32Å; V18-F89 WeakPolarHBondContact O-CA 3.41Å; V18-L90 PolarHBondContact O-N 2.89Å
19V96.1Very high89.4Confident0 Ų036.2 Ų36.20%023%0.23CC..EExtended strand (participates in β ladder)trans-97.8115.7176.4-167.40000108.8K27 V66 L67 T69 L90 V92 F169V19-K27 HydrophobicContact CB-CB 4.48Å; V19-K27 HydrophobicContact CG1-CB 3.69Å; V19-K27 HydrophobicContact CG1-CD 4.24Å; V19-K27 HydrophobicContact CG1-CG 3.88Å; V19-V66 HydrophobicContact CG2-CG1 3.95Å; V19-L67 PolarHBondContact N-O 2.78Å; V19-T69 WeakPolarHBondContact O-CG2 3.28Å; V19-T69 PolarHBondContact O-OG1 3.17Å; V19-L90 HydrophobicContact CG1-CB 4.39Å; V19-L90 HydrophobicContact CG2-CD1 4.32Å; V19-V92 HydrophobicContact CG1-CG2 3.55Å; V19-F169 HydrophobicContact CG2-CE1 4.05Å; V19-F169 HydrophobicContact CG2-CZ 4.24Å
20V94.8Very high91.4Very high2 Ų230.1 Ų30.11%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-122.9160.5-178.3-570000110.9V18 M83 F89 L90 I91 V92 F107 I111V18-V20 HydrophobicContact CG1-CG1 3.79Å; V20-M83 HydrophobicContact CG1-CE 3.88Å; V20-F89 HydrophobicContact CG1-CD1 4.15Å; V20-L90 WeakPolarHBondContact CG2-O 3.43Å; V20-L90 PolarHBondContact N-O 3.42Å; V20-I91 HydrophobicContact CG2-CB 4.39Å; V20-I91 HydrophobicContact CG2-CG1 4Å; V20-V92 PolarHBondContact O-N 3.01Å; V20-F107 HydrophobicContact CB-CD1 3.98Å; V20-F107 HydrophobicContact CB-CE1 4.27Å; V20-F107 HydrophobicContact CG2-CB 4.35Å; V20-F107 HydrophobicContact CG2-CD1 4.03Å; V20-F107 HydrophobicContact CG2-CG 4.34Å; V20-I111 HydrophobicContact CG2-CD1 4.29Å
21G94.2Very high93.2Very high0 Ų024 Ų240%016%0.155CC..  trans142.5164.7-174.700000110.9K27 G71 V92G21-K27 WeakPolarHBondContact O-CE 3.27Å; G21-K27 PolarHBondContact O-NZ 3.1Å; G21-G71 WeakPolarHBondContact O-CA 3.36Å; G21-V92 WeakPolarHBondContact CA-O 2.92Å
22D92.1Very high94Very high25 Ų2521 Ų2113%0.13414%0.139CC..  trans-57.3162.5-177.6-78.99.3000113.2V25 K27 S100 H103 F107D22-V25 HydrophobicContact CB-CG1 3.85Å; D22-V25 VanDerWaalsContact O-CG2 3.25Å; D22-V25 WeakPolarHBondContact O-CG2 3.49Å; D22-K27 PolarHBondContact O-NZ 3.05Å; D22-S100 WeakPolarHBondContact OD2-CA 3.37Å; D22-H103 IonicContact OD1-CG 2.65Å; D22-H103 IonicContact OD1-ND1 2.68Å; D22-H103 PolarHBondContact OD1-ND1 2.99Å; D22-H103 IonicContact OD2-CE1 3.27Å; D22-H103 IonicContact OD2-CG 2.9Å; D22-H103 IonicContact OD2-ND1 2.76Å; D22-H103 PolarHBondContact OD2-ND1 3.3Å; D22-F107 WeakPolarHBondContact OD1-CE2 3.39Å
23G90.3Very high94.5Very high33 Ų3319.5 Ų19.534%0.3413%0.131SC..THydrogen-bonded Turntrans-54.8139.4169.300000111.5V25 G71G23-V25 VanDerWaalsContact C-N 3.28Å; G23-V25 PolarHBondContact O-N 2.98Å; G23-G71 PolarHBondContact N-O 3.12Å
24G90.8Very high94.7Very high61 Ų6116.9 Ų16.963%0.62912%0.117SC*.THydrogen-bonded Turntrans76.3-1.4173.500000116.7G26 K128G24-G26 PolarHBondContact O-N 3.19Å; G24-K128 WeakPolarHBondContact O-CE 3.18Å; G24-K128 PolarHBondContact O-NZ 2.89Å
25V94.9Very high94.6Very high0 Ų015.7 Ų15.70%011%0.106CC..SBendtrans-69.1-15.5177-56.70000113.7D22 G23 K27 V92 N127 K128D22-V25 HydrophobicContact CB-CG1 3.85Å; D22-V25 VanDerWaalsContact O-CG2 3.25Å; D22-V25 WeakPolarHBondContact O-CG2 3.49Å; G23-V25 VanDerWaalsContact C-N 3.28Å; G23-V25 PolarHBondContact O-N 2.98Å; V25-K27 HydrophobicContact CG2-CD 4.29Å; V25-K27 HydrophobicContact CG2-CG 3.6Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 3.99Å; V25-V92 HydrophobicContact CG2-CG1 3.82Å; V25-N127 PolarHBondContact O-ND2 3.37Å; V25-K128 WeakPolarHBondContact O-CE 3.49Å
26G94.6Very high94.4Very high16 Ų1620.2 Ų20.217%0.16513%0.128CC..SBendtrans98.531.117700000115.1G24 A29 L30G24-G26 PolarHBondContact O-N 3.19Å; G26-A29 PolarHBondContact O-N 2.87Å; G26-L30 WeakPolarHBondContact O-CG 3.27Å; G26-L30 PolarHBondContact O-N 3.27Å
27K94.7Very high94.2Very high8 Ų821.1 Ų21.14%0.03513%0.132CC..Hα-helixtrans-55.8-54.3174.4-57.3-174.3-61.2-73.30111.4V19 G21 D22 V25 A29 L30 T31 D68 T69 A70 G71 V92V19-K27 HydrophobicContact CB-CB 4.48Å; V19-K27 HydrophobicContact CG1-CB 3.69Å; V19-K27 HydrophobicContact CG1-CD 4.24Å; V19-K27 HydrophobicContact CG1-CG 3.88Å; G21-K27 WeakPolarHBondContact O-CE 3.27Å; G21-K27 PolarHBondContact O-NZ 3.1Å; D22-K27 PolarHBondContact O-NZ 3.05Å; V25-K27 HydrophobicContact CG2-CD 4.29Å; V25-K27 HydrophobicContact CG2-CG 3.6Å; K27-A29 PolarHBondContact O-N 3.16Å; K27-L30 PolarHBondContact O-N 3.46Å; K27-L30 VanDerWaalsContact O-N 3.17Å; K27-T31 PolarHBondContact O-N 3.22Å; K27-T31 PolarHBondContact O-OG1 2.68Å; K27-T31 VanDerWaalsContact O-OG1 3.09Å; K27-D68 VanDerWaalsContact C-OD1 3.32Å; K27-D68 VanDerWaalsContact CB-OD1 3.28Å; K27-D68 WeakPolarHBondContact CB-OD1 3.25Å; K27-T69 WeakPolarHBondContact CE-O 3.48Å; K27-T69 WeakPolarHBondContact CE-OG1 3.47Å; K27-A70 PolarHBondContact NZ-O 2.94Å; K27-G71 VanDerWaalsContact NZ-CA 3.3Å; K27-V92 HydrophobicContact CG-CB 4.26Å; K27-V92 HydrophobicContact CG-CG2 4.42Å
28S92.6Very high93.9Very high15 Ų1524.7 Ų24.711%0.10515%0.15CC..Hα-helixtrans-61.4-42.6177.9-40.30000112.1L30 T31 I32 T46 D68S28-L30 VanDerWaalsContact C-N 3.35Å; S28-L30 PolarHBondContact O-N 2.97Å; S28-T31 PolarHBondContact O-N 2.95Å; S28-I32 WeakPolarHBondContact O-CB 3.36Å; S28-I32 VanDerWaalsContact O-CG1 3.26Å; S28-I32 WeakPolarHBondContact O-CG1 3.37Å; S28-I32 PolarHBondContact O-N 3.02Å; S28-T46 PolarHBondContact OG-OG1 3.44Å; S28-D68 VanDerWaalsContact CA-OD2 3.24Å; S28-D68 WeakPolarHBondContact CA-OD2 3.46Å; S28-D68 WeakPolarHBondContact CB-OD2 3.4Å; S28-D68 PolarHBondContact N-OD1 2.95Å; S28-D68 PolarHBondContact OG-OD2 3.36Å
29A94.4Very high93.5Very high17 Ų1728.2 Ų28.214%0.1417%0.165CC..Hα-helixtrans-60.7-42.6176.400000112G26 K27 Q33 F39 A158G26-A29 PolarHBondContact O-N 2.87Å; K27-A29 PolarHBondContact O-N 3.16Å; A29-Q33 WeakPolarHBondContact O-CB 3.48Å; A29-Q33 PolarHBondContact O-N 3.46Å; A29-F39 HydrophobicContact CB-CE2 4.28Å; A29-A158 HydrophobicContact CB-CB 3.75Å
30L96.6Very high92.8Very high3 Ų330.6 Ų30.62%0.01618%0.18CC..Hα-helixtrans-65.7-43.9175.1-73.2170.4000111.8G26 K27 S28 F34 V92 V125 N127 A158 V165G26-L30 WeakPolarHBondContact O-CG 3.27Å; G26-L30 PolarHBondContact O-N 3.27Å; K27-L30 PolarHBondContact O-N 3.46Å; K27-L30 VanDerWaalsContact O-N 3.17Å; S28-L30 VanDerWaalsContact C-N 3.35Å; S28-L30 PolarHBondContact O-N 2.97Å; L30-F34 WeakPolarHBondContact O-CB 3.49Å; L30-F34 PolarHBondContact O-N 2.94Å; L30-V92 HydrophobicContact CD1-CG1 3.8Å; L30-V92 HydrophobicContact CD1-CG2 4.18Å; L30-V125 HydrophobicContact CD1-CG1 4.01Å; L30-N127 HydrophobicContact CD1-CB 4.21Å; L30-A158 HydrophobicContact CD2-CB 3.99Å; L30-A158 HydrophobicContact CG-CB 4.3Å; L30-V165 HydrophobicContact CD2-CG1 4.38Å; L30-V165 HydrophobicContact CD2-CG2 3.86Å; L30-V165 WeakPolarHBondContact O-CG1 3.28Å
31T95.1Very high91.7Very high0 Ų034.6 Ų34.60%021%0.208CC..Hα-helixtrans-62.7-53.8178.4-57.30000110.4K27 S28 Q33 F34 F35 Y51 V66 D68K27-T31 PolarHBondContact O-N 3.22Å; K27-T31 PolarHBondContact O-OG1 2.68Å; K27-T31 VanDerWaalsContact O-OG1 3.09Å; S28-T31 PolarHBondContact O-N 2.95Å; T31-Q33 VanDerWaalsContact C-N 3.32Å; T31-Q33 PolarHBondContact O-N 3.2Å; T31-F34 WeakPolarHBondContact O-CB 3.49Å; T31-F34 PolarHBondContact O-N 3Å; T31-F35 HydrophobicContact CG2-CD2 3.92Å; T31-F35 HydrophobicContact CG2-CE2 3.98Å; T31-F35 VanDerWaalsContact O-CD2 3.25Å; T31-F35 WeakPolarHBondContact O-CD2 3.44Å; T31-F35 PolarHBondContact O-N 2.93Å; T31-Y51 HydrophobicContact CG2-CD2 3.44Å; T31-Y51 VanDerWaalsContact CG2-CD2 3.44Å; T31-Y51 HydrophobicContact CG2-CE2 3.6Å; T31-Y51 HydrophobicContact CG2-CG 4.17Å; T31-V66 HydrophobicContact CG2-CG1 4.03Å; T31-D68 HydrophobicContact CG2-CB 4.35Å
32I93.6Very high90.4Very high5 Ų541.4 Ų41.43%0.02624%0.244CC..Hα-helixtrans-59.3-44.3178.6-66.1164.1000110.8S28 F34 F35 Q36 I38 V40 Y43S28-I32 WeakPolarHBondContact O-CB 3.36Å; S28-I32 VanDerWaalsContact O-CG1 3.26Å; S28-I32 WeakPolarHBondContact O-CG1 3.37Å; S28-I32 PolarHBondContact O-N 3.02Å; I32-F34 VanDerWaalsContact C-N 3.3Å; I32-F34 PolarHBondContact O-N 3.31Å; I32-F35 PolarHBondContact O-N 2.97Å; I32-Q36 HydrophobicContact CG2-CB 4.28Å; I32-Q36 HydrophobicContact CG2-CG 4.47Å; I32-Q36 WeakPolarHBondContact O-CA 3.47Å; I32-Q36 WeakPolarHBondContact O-CB 3.29Å; I32-Q36 PolarHBondContact O-N 3.29Å; I32-I38 HydrophobicContact CG2-CD1 4.38Å; I32-I38 HydrophobicContact CG2-CG1 3.87Å; I32-V40 HydrophobicContact CG2-CG2 4.07Å; I32-Y43 HydrophobicContact CD1-CD2 3.67Å; I32-Y43 HydrophobicContact CD1-CE2 3.35Å
33Q95.5Very high89.1Confident4 Ų444.5 Ų44.52%0.01926%0.255CS..Hα-helixtrans-61.9-37.9176.6-176.562.1-79.600111.7A29 T31 K37 I38 A158 D160 P162 V165A29-Q33 WeakPolarHBondContact O-CB 3.48Å; A29-Q33 PolarHBondContact O-N 3.46Å; T31-Q33 VanDerWaalsContact C-N 3.32Å; T31-Q33 PolarHBondContact O-N 3.2Å; Q33-K37 WeakPolarHBondContact O-CA 3.17Å; Q33-K37 WeakPolarHBondContact O-CD 3.41Å; Q33-K37 PolarHBondContact O-N 3.44Å; Q33-I38 WeakPolarHBondContact CA-O 3.42Å; Q33-I38 VanDerWaalsContact OE1-N 3.11Å; Q33-A158 PolarHBondContact NE2-O 3.44Å; Q33-D160 PolarHBondContact NE2-OD1 2.98Å; Q33-P162 HydrophobicContact CG-CB 3.8Å; Q33-P162 HydrophobicContact CG-CG 4.35Å; Q33-V165 HydrophobicContact CB-CG1 4.29Å; Q33-V165 HydrophobicContact CG-CB 4.42Å; Q33-V165 HydrophobicContact CG-CG1 4.21Å; Q33-V165 HydrophobicContact CG-CG2 3.99Å
34F96Very high87.8Confident0 Ų049.6 Ų49.60%027%0.274CS..Hα-helixtrans-65.6-41175.9179.8-117.2000112.9L30 T31 I32 K53 L64 V165 D166 F169 H170L30-F34 WeakPolarHBondContact O-CB 3.49Å; L30-F34 PolarHBondContact O-N 2.94Å; T31-F34 WeakPolarHBondContact O-CB 3.49Å; T31-F34 PolarHBondContact O-N 3Å; I32-F34 VanDerWaalsContact C-N 3.3Å; I32-F34 PolarHBondContact O-N 3.31Å; F34-K53 HydrophobicContact CD1-CD 4.27Å; F34-K53 HydrophobicContact CE1-CD 3.71Å; F34-K53 HydrophobicContact CZ-CD 3.98Å; F34-K53 PolarHBondContact O-NZ 3.14Å; F34-L64 HydrophobicContact CE1-CD1 3.82Å; F34-L64 HydrophobicContact CZ-CD1 3.73Å; F34-V165 HydrophobicContact CB-CG1 3.85Å; F34-D166 HydrophobicContact CD2-CB 4.42Å; F34-D166 VanDerWaalsContact CD2-OD1 3.25Å; F34-D166 WeakPolarHBondContact CD2-OD1 3.1Å; F34-D166 HydrophobicContact CE2-CB 4.34Å; F34-F169 HydrophobicContact CB-CD2 3.78Å; F34-F169 HydrophobicContact CB-CE2 3.62Å; F34-F169 HydrophobicContact CB-CZ 4.28Å; F34-F169 HydrophobicContact CD1-CB 4.36Å; F34-F169 HydrophobicContact CD1-CD1 4.13Å; F34-F169 AromaticContact CD1-CD2 3.94Å; F34-F169 HydrophobicContact CD1-CD2 3.94Å; F34-F169 HydrophobicContact CD1-CE1 4.44Å; F34-F169 HydrophobicContact CD1-CE2 4.27Å; F34-F169 AromaticContact CD1-CG 3.88Å; F34-F169 HydrophobicContact CD1-CG 3.88Å; F34-F169 HydrophobicContact CD2-CB 4.12Å; F34-F169 AromaticContact CD2-CD2 3.7Å; F34-F169 HydrophobicContact CD2-CD2 3.7Å; F34-F169 HydrophobicContact CD2-CE2 4.43Å; F34-F169 HydrophobicContact CD2-CG 4.07Å; F34-F169 HydrophobicContact CE1-CB 4.05Å; F34-F169 HydrophobicContact CE1-CD1 4.28Å; F34-F169 HydrophobicContact CE1-CD2 4.48Å; F34-F169 HydrophobicContact CE1-CG 4.02Å; F34-F169 HydrophobicContact CE2-CB 3.81Å; F34-F169 HydrophobicContact CE2-CD2 4.28Å; F34-F169 HydrophobicContact CE2-CG 4.22Å; F34-F169 HydrophobicContact CG-CB 4.4Å; F34-F169 AromaticContact CG-CD2 3.52Å; F34-F169 HydrophobicContact CG-CD2 3.52Å; F34-F169 AromaticContact CG-CE2 3.87Å; F34-F169 HydrophobicContact CG-CE2 3.87Å; F34-F169 AromaticContact CG-CG 3.91Å; F34-F169 HydrophobicContact CG-CG 3.91Å; F34-F169 HydrophobicContact CZ-CB 3.77Å; F34-F169 HydrophobicContact CZ-CG 4.2Å; F34-H170 AromaticContact CE2-NE2 3.77Å; F34-H170 AromaticContact CZ-NE2 3.96Å
35F93.6Very high86.5Confident40 Ų4051.4 Ų51.418%0.17528%0.275CS..Hα-helixtrans-86.5-46.8-174.3-81.2-96.7000113.6T31 I32 Y51 K53 V66T31-F35 HydrophobicContact CG2-CD2 3.92Å; T31-F35 HydrophobicContact CG2-CE2 3.98Å; T31-F35 VanDerWaalsContact O-CD2 3.25Å; T31-F35 WeakPolarHBondContact O-CD2 3.44Å; T31-F35 PolarHBondContact O-N 2.93Å; I32-F35 PolarHBondContact O-N 2.97Å; F35-Y51 HydrophobicContact CD1-CG 4.48Å; F35-Y51 HydrophobicContact CD2-CG 4.35Å; F35-Y51 HydrophobicContact CE1-CG 4.46Å; F35-Y51 HydrophobicContact CE2-CG 4.36Å; F35-Y51 HydrophobicContact CG-CG 4.43Å; F35-Y51 HydrophobicContact CZ-CG 4.44Å; F35-Y51 WeakPolarHBondContact CZ-O 3.48Å; F35-K53 HydrophobicContact CD1-CB 3.74Å; F35-K53 HydrophobicContact CD1-CD 4.17Å; F35-K53 HydrophobicContact CE1-CB 3.25Å; F35-K53 HydrophobicContact CE1-CD 4.27Å; F35-K53 HydrophobicContact CE1-CG 4.38Å; F35-K53 HydrophobicContact CZ-CB 3.97Å; F35-V66 HydrophobicContact CE2-CB 3.65Å; F35-V66 HydrophobicContact CE2-CG1 4.14Å; F35-V66 HydrophobicContact CE2-CG2 3.63Å; F35-V66 HydrophobicContact CZ-CB 3.7Å; F35-V66 HydrophobicContact CZ-CG2 3.54Å
36Q91.8Very high84.8Confident105 Ų10552.1 Ų52.149%0.49128%0.279SS..Hα-helixtrans-105.8-10.6-169-59.8-177.12100113.5I32 I38I32-Q36 HydrophobicContact CG2-CB 4.28Å; I32-Q36 HydrophobicContact CG2-CG 4.47Å; I32-Q36 WeakPolarHBondContact O-CA 3.47Å; I32-Q36 WeakPolarHBondContact O-CB 3.29Å; I32-Q36 PolarHBondContact O-N 3.29Å; Q36-I38 HydrophobicContact CB-CD1 4.27Å; Q36-I38 HydrophobicContact CB-CG1 3.88Å; Q36-I38 PolarHBondContact O-N 3.18Å
37K93.2Very high83.4Confident105 Ų10558.8 Ų58.846%0.45731%0.31SS..SBendtrans59.733.7-179.3-51.8-56.2-173.6178.90113.5Q33 D166Q33-K37 WeakPolarHBondContact O-CA 3.17Å; Q33-K37 WeakPolarHBondContact O-CD 3.41Å; Q33-K37 PolarHBondContact O-N 3.44Å; K37-D166 IonicContact NZ-OD1 3.44Å; K37-D166 PolarHBondContact NZ-OD1 3.02Å; K37-D166 IonicContact NZ-OD2 2.71Å; K37-D166 PolarHBondContact NZ-OD2 2.87Å
38I91.1Very high82Confident76 Ų7661 Ų6139%0.3932%0.32SS..  trans-130.7150.517664.6176000110.2I32 Q33 Q36 V40I32-I38 HydrophobicContact CG2-CD1 4.38Å; I32-I38 HydrophobicContact CG2-CG1 3.87Å; Q33-I38 WeakPolarHBondContact CA-O 3.42Å; Q33-I38 VanDerWaalsContact OE1-N 3.11Å; Q36-I38 HydrophobicContact CB-CD1 4.27Å; Q36-I38 HydrophobicContact CB-CG1 3.88Å; Q36-I38 PolarHBondContact O-N 3.18Å; I38-V40 HydrophobicContact CD1-CG2 4.05Å; I38-V40 HydrophobicContact CG1-CG2 4.26Å
39F88.3Confident81.4Confident77 Ų7763.4 Ų63.434%0.33833%0.332SS..  trans-98.8125.6166.6179.6-110.4000111A29 A158 K159 D160A29-F39 HydrophobicContact CB-CE2 4.28Å; F39-A158 HydrophobicContact CD2-CB 4.26Å; F39-A158 VanDerWaalsContact CD2-O 3.28Å; F39-A158 WeakPolarHBondContact CD2-O 3.41Å; F39-A158 HydrophobicContact CE2-CB 4.39Å; F39-K159 HydrophobicContact CE1-CG 4.42Å; F39-K159 HydrophobicContact CE2-CB 4.46Å; F39-D160 VanDerWaalsContact CB-OD2 3.28Å; F39-D160 WeakPolarHBondContact CB-OD2 3.34Å; F39-D160 PolarHBondContact N-OD2 3.19Å
40V80.3Confident80.9Confident50 Ų5066.1 Ų66.130%0.30335%0.349SS..  trans-107.9113.5174.4-175.90000108.2I32 I38 Y43I32-V40 HydrophobicContact CG2-CG2 4.07Å; I38-V40 HydrophobicContact CD1-CG2 4.05Å; I38-V40 HydrophobicContact CG1-CG2 4.26Å; V40-Y43 HydrophobicContact CG1-CD2 4.28Å
41S72.5Confident80.7Confident87 Ų8767.8 Ų67.861%0.60836%0.356SS*.SBendtrans-75-39-17850.50000113.1
42D66.8Low80.7Confident143 Ų14373.4 Ų73.477%0.76539%0.385SS*.SBendtrans-110.492.1-176.6-56.8-58.5000108.3
43Y64Low80.6Confident90 Ų9075 Ų7535%0.35339%0.392SS..  trans-105.8128.2174.3-158-99.2000109.3I32 V40 T46 D49I32-Y43 HydrophobicContact CD1-CD2 3.67Å; I32-Y43 HydrophobicContact CD1-CE2 3.35Å; V40-Y43 HydrophobicContact CG1-CD2 4.28Å; Y43-T46 HydrophobicContact CE1-CG2 4.28Å; Y43-T46 VanDerWaalsContact CE1-OG1 3.23Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.47Å; Y43-D49 PolarHBondContact OH-OD2 3.44Å
44D63.9Low80.5Confident139 Ų13979.7 Ų79.774%0.74341%0.414SS*.  trans-62128.9170.3-163.8-6.8000108.2T46D44-T46 PolarHBondContact O-N 3.04Å
45P62.6Low80.4Confident100 Ų10080.7 Ų80.765%0.64942%0.42SS*.  trans-41.4116.2178.2-33.836.1000112.8I47P45-I47 PolarHBondContact O-N 3.43Å
46T60.7Low80.4Confident14 Ų1483 Ų839%0.08643%0.431CS..  trans-58.6137.2-173.2-40.20000110.9S28 Y43 D44 D68 A70S28-T46 PolarHBondContact OG-OG1 3.44Å; Y43-T46 HydrophobicContact CE1-CG2 4.28Å; Y43-T46 VanDerWaalsContact CE1-OG1 3.23Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.47Å; D44-T46 PolarHBondContact O-N 3.04Å; T46-D68 PolarHBondContact OG1-OD2 3.42Å; T46-A70 WeakPolarHBondContact O-CB 3.47Å
47I63.3Low80.5Confident157 Ų15778 Ų7881%0.80541%0.408SS*.SBendtrans-78.3-61.9168-63.2177.4000108.5P45P45-I47 PolarHBondContact O-N 3.43Å
48E67Low80.6Confident53 Ų5377.6 Ų77.625%0.24841%0.411CS..EExtended strand (participates in β ladder)trans-179.9132.3165.9-175.7177.283.200106.7L67 M78 Y82E48-L67 HydrophobicContact CG-CD1 3.57Å; E48-L67 HydrophobicContact CG-CG 4.15Å; E48-M78 WeakPolarHBondContact OE1-CE 3.48Å; E48-Y82 WeakPolarHBondContact OE2-CD1 3.23Å
49D79.1Confident80.6Confident67 Ų6776.6 Ų76.636%0.35842%0.42SS..EExtended strand (participates in β ladder)trans-131.9136.2178.8-78.5-49.2000111.8Y43 Y51 D68Y43-D49 PolarHBondContact OH-OD2 3.44Å; D49-Y51 HydrophobicContact CB-CD2 4.37Å; D49-Y51 HydrophobicContact CB-CE2 3.54Å; D49-D68 PolarHBondContact N-O 3.04Å; D49-D68 PolarHBondContact O-N 3.32Å
50S84.8Confident80.8Confident73 Ų7378.2 Ų78.251%0.5143%0.428SS..EExtended strand (participates in β ladder)trans-106.8132.1172.81660000110.5D65 V66S50-D65 PolarHBondContact OG-OD1 3.49Å; S50-V66 CarbonylContact C-O 3.59Å; S50-V66 WeakPolarHBondContact CA-O 3.47Å
51Y91.8Very high81.4Confident39 Ų3978.8 Ų78.815%0.15343%0.425CS..EExtended strand (participates in β ladder)trans-122.3131.9-179-57.5-93.3000110.7T31 F35 D49 V66 D68T31-Y51 HydrophobicContact CG2-CD2 3.44Å; T31-Y51 VanDerWaalsContact CG2-CD2 3.44Å; T31-Y51 HydrophobicContact CG2-CE2 3.6Å; T31-Y51 HydrophobicContact CG2-CG 4.17Å; F35-Y51 HydrophobicContact CD1-CG 4.48Å; F35-Y51 HydrophobicContact CD2-CG 4.35Å; F35-Y51 HydrophobicContact CE1-CG 4.46Å; F35-Y51 HydrophobicContact CE2-CG 4.36Å; F35-Y51 HydrophobicContact CG-CG 4.43Å; F35-Y51 HydrophobicContact CZ-CG 4.44Å; F35-Y51 WeakPolarHBondContact CZ-O 3.48Å; D49-Y51 HydrophobicContact CB-CD2 4.37Å; D49-Y51 HydrophobicContact CB-CE2 3.54Å; Y51-V66 PolarHBondContact N-O 3.17Å; Y51-V66 PolarHBondContact O-N 2.81Å; Y51-D68 HydrophobicContact CE2-CB 4.18Å
52L94.4Very high82.5Confident117 Ų11774.6 Ų74.661%0.61340%0.396SS*.EExtended strand (participates in β ladder)trans-108.3126.7177.9-72.7169.5000111.4I63 L64 D65L52-I63 HydrophobicContact CD2-CG2 3.89Å; L52-L64 WeakPolarHBondContact CA-O 3.43Å; L52-D65 HydrophobicContact CD2-CB 3.62Å
53K91.8Very high83.9Confident38 Ų3869.3 Ų69.317%0.16537%0.367CS..EExtended strand (participates in β ladder)trans-135.5127.3178.8175.6174.9-179.5-173.30111.6F34 F35 L64F34-K53 HydrophobicContact CD1-CD 4.27Å; F34-K53 HydrophobicContact CE1-CD 3.71Å; F34-K53 HydrophobicContact CZ-CD 3.98Å; F34-K53 PolarHBondContact O-NZ 3.14Å; F35-K53 HydrophobicContact CD1-CB 3.74Å; F35-K53 HydrophobicContact CD1-CD 4.17Å; F35-K53 HydrophobicContact CE1-CB 3.25Å; F35-K53 HydrophobicContact CE1-CD 4.27Å; F35-K53 HydrophobicContact CE1-CG 4.38Å; F35-K53 HydrophobicContact CZ-CB 3.97Å; K53-L64 PolarHBondContact N-O 3.33Å; K53-L64 PolarHBondContact O-N 3.04Å
54H93.8Very high85.4Confident103 Ų10365 Ų6548%0.47735%0.35SS..EExtended strand (participates in β ladder)trans-84.6123.7169-65.2-172.9000108.2W61H54-W61 HydrophobicContact CB-CZ3 4.44Å
55T93.3Very high87Confident21 Ų2160.1 Ų60.113%0.12932%0.324CS..EExtended strand (participates in β ladder)trans-151151.2-178.6-168.20000111.6I57 A62 L64T55-I57 HydrophobicContact CG2-CD1 3.96Å; T55-I57 HydrophobicContact CG2-CG1 4.03Å; T55-A62 PolarHBondContact N-O 3.35Å; T55-A62 PolarHBondContact O-N 3.34Å; T55-L64 HydrophobicContact CG2-CD1 3.7Å; T55-L64 HydrophobicContact CG2-CG 3.86Å
56E94.1Very high88.6Confident88 Ų8855.3 Ų55.341%0.41129%0.293SS..EExtended strand (participates in β ladder)trans-95.9121.8174-174.4173.8-156.300109.3G59 W61E56-G59 VanDerWaalsContact OE1-CA 3.27Å; E56-G59 WeakPolarHBondContact OE1-CA 3.26Å; E56-W61 HydrophobicContact CB-CD2 4.13Å; E56-W61 HydrophobicContact CB-CG 4.48Å; E56-W61 HydrophobicContact CB-CZ2 4.17Å
57I94.7Very high90.1Very high1 Ų155.8 Ų55.81%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-121.1117.7177.5-59.7166.3000107T55 G59 Q60 L64 H170 V173 R177T55-I57 HydrophobicContact CG2-CD1 3.96Å; T55-I57 HydrophobicContact CG2-CG1 4.03Å; I57-G59 VanDerWaalsContact C-N 3.31Å; I57-G59 PolarHBondContact O-N 2.95Å; I57-Q60 PolarHBondContact N-O 3.02Å; I57-Q60 PolarHBondContact O-N 3.33Å; I57-Q60 VanDerWaalsContact O-N 3.09Å; I57-L64 HydrophobicContact CD1-CD1 4.22Å; I57-L64 HydrophobicContact CD1-CD2 4.22Å; I57-H170 HydrophobicContact CG2-CB 4.15Å; I57-V173 HydrophobicContact CD1-CB 3.83Å; I57-V173 HydrophobicContact CD1-CG1 3.78Å; I57-V173 HydrophobicContact CD1-CG2 3.74Å; I57-R177 PolarHBondContact O-NH1 3.47Å; I57-R177 PolarHBondContact O-NH2 3.45Å
58D93.9Very high91.4Very high96 Ų9648.3 Ų48.351%0.51326%0.256SS..THydrogen-bonded Turntrans52.345.8-179.4-46.8-35.9000112.8Q60 R174D58-Q60 VanDerWaalsContact C-N 3.28Å; D58-Q60 PolarHBondContact O-N 2.92Å; D58-R174 IonicContact OD1-CZ 2.82Å; D58-R174 IonicContact OD1-NE 3.71Å; D58-R174 PolarHBondContact OD1-NE 3.39Å; D58-R174 IonicContact OD1-NH2 2.86Å; D58-R174 PolarHBondContact OD1-NH2 3.44Å; D58-R174 WeakPolarHBondContact OD2-CD 3.25Å; D58-R174 WeakPolarHBondContact OD2-CG 3.28Å; D58-R174 IonicContact OD2-CZ 3.43Å; D58-R174 IonicContact OD2-NE 3.24Å; D58-R174 PolarHBondContact OD2-NE 3.03Å; D58-R174 IonicContact OD2-NH2 2.7Å
59G92.1Very high92.3Very high56 Ų5645.9 Ų45.958%0.57725%0.245SC*.THydrogen-bonded Turntrans77.36.4179.300000115.2E56 I57E56-G59 VanDerWaalsContact OE1-CA 3.27Å; E56-G59 WeakPolarHBondContact OE1-CA 3.26Å; I57-G59 VanDerWaalsContact C-N 3.31Å; I57-G59 PolarHBondContact O-N 2.95Å
60Q92.3Very high92.1Very high110 Ų11044 Ų4451%0.51424%0.238SC..EExtended strand (participates in β ladder)trans-122.7115.3-178.9-63.6-179.435.700111.3I57 D58 R177I57-Q60 PolarHBondContact N-O 3.02Å; I57-Q60 PolarHBondContact O-N 3.33Å; I57-Q60 VanDerWaalsContact O-N 3.09Å; D58-Q60 VanDerWaalsContact C-N 3.28Å; D58-Q60 PolarHBondContact O-N 2.92Å; Q60-R177 PolarHBondContact O-NH2 2.9Å; Q60-R177 VanDerWaalsContact O-NH2 3.1Å
61W93.4Very high91.2Very high62 Ų6241.3 Ų41.324%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-63.7136.8173.6-76.588.7000112.3S5 V7 L12 H54 E56S5-W61 WeakPolarHBondContact OG-CZ2 3.33Å; V7-W61 HydrophobicContact CG1-CE3 4.21Å; V7-W61 HydrophobicContact CG1-CZ3 4.5Å; V7-W61 HydrophobicContact CG2-CE3 4.28Å; V7-W61 HydrophobicContact CG2-CH2 3.98Å; V7-W61 HydrophobicContact CG2-CZ3 3.77Å; L12-W61 HydrophobicContact CD2-CB 3.68Å; H54-W61 HydrophobicContact CB-CZ3 4.44Å; E56-W61 HydrophobicContact CB-CD2 4.13Å; E56-W61 HydrophobicContact CB-CG 4.48Å; E56-W61 HydrophobicContact CB-CZ2 4.17Å
62A94.5Very high89.9Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-148.9163.6176.300000111.4L13 Y15 T55L13-A62 WeakPolarHBondContact O-CA 3.43Å; Y15-A62 HydrophobicContact CD2-CB 3.73Å; Y15-A62 HydrophobicContact CE2-CB 3.48Å; Y15-A62 VanDerWaalsContact CE2-CB 3.48Å; T55-A62 PolarHBondContact N-O 3.35Å; T55-A62 PolarHBondContact O-N 3.34Å
63I95.8Very high88.3Confident31 Ų3142.7 Ų42.716%0.15923%0.227CC..EExtended strand (participates in β ladder)trans-102.6124.6168.6-54.4179.2000107L12 L13 T14 Y15 L52L12-I63 HydrophobicContact CB-CD1 4.11Å; L12-I63 HydrophobicContact CB-CG1 3.9Å; L12-I63 HydrophobicContact CD1-CD1 4.47Å; L12-I63 HydrophobicContact CD1-CG1 4.04Å; L13-I63 PolarHBondContact O-N 3.37Å; T14-I63 CarbonylContact C-O 3.59Å; T14-I63 VanDerWaalsContact CA-O 3.26Å; T14-I63 WeakPolarHBondContact CA-O 3.33Å; T14-I63 HydrophobicContact CG2-CB 4.29Å; T14-I63 HydrophobicContact CG2-CG2 4.18Å; Y15-I63 PolarHBondContact N-O 3.09Å; L52-I63 HydrophobicContact CD2-CG2 3.89Å
64L97Very high86.4Confident0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-97.9123169.3-52.4-173.5000108.2Y15 L17 F34 L52 K53 T55 I57 V66 V173Y15-L64 HydrophobicContact CD2-CD2 3.97Å; L17-L64 HydrophobicContact CD1-CD1 4.28Å; L17-L64 HydrophobicContact CD1-CD2 4.33Å; F34-L64 HydrophobicContact CE1-CD1 3.82Å; F34-L64 HydrophobicContact CZ-CD1 3.73Å; L52-L64 WeakPolarHBondContact CA-O 3.43Å; K53-L64 PolarHBondContact N-O 3.33Å; K53-L64 PolarHBondContact O-N 3.04Å; T55-L64 HydrophobicContact CG2-CD1 3.7Å; T55-L64 HydrophobicContact CG2-CG 3.86Å; I57-L64 HydrophobicContact CD1-CD1 4.22Å; I57-L64 HydrophobicContact CD1-CD2 4.22Å; L64-V66 HydrophobicContact CB-CG2 4.16Å; L64-V173 HydrophobicContact CD1-CG2 4.47Å; L64-V173 HydrophobicContact CD2-CG2 3.53Å
65D96.1Very high84.3Confident36 Ų3649.8 Ų49.819%0.19326%0.259CS..EExtended strand (participates in β ladder)trans-106.598.4172178.73.6000106.7T14 Y15 K16 L17 S50 L52T14-D65 HydrophobicContact CG2-CB 3.89Å; Y15-D65 PolarHBondContact O-N 3.36Å; K16-D65 CarbonylContact C-O 3.52Å; K16-D65 VanDerWaalsContact CA-O 3.3Å; K16-D65 WeakPolarHBondContact CA-O 3.22Å; K16-D65 HydrophobicContact CG-CB 4.23Å; L17-D65 PolarHBondContact N-O 3.14Å; S50-D65 PolarHBondContact OG-OD1 3.49Å; L52-D65 HydrophobicContact CD2-CB 3.62Å
66V96.2Very high82.8Confident0 Ų050.5 Ų50.50%027%0.265CS..EExtended strand (participates in β ladder)trans-104.3121.4-171.5-178.60000109.5L17 V19 T31 F35 S50 Y51 L64 F169L17-V66 HydrophobicContact CB-CG2 4.19Å; L17-V66 HydrophobicContact CD1-CG2 4.19Å; L17-V66 HydrophobicContact CG-CG2 4.43Å; L17-V66 CarbonylContact O-C 3.6Å; L17-V66 WeakPolarHBondContact O-CA 3.43Å; V19-V66 HydrophobicContact CG2-CG1 3.95Å; T31-V66 HydrophobicContact CG2-CG1 4.03Å; F35-V66 HydrophobicContact CE2-CB 3.65Å; F35-V66 HydrophobicContact CE2-CG1 4.14Å; F35-V66 HydrophobicContact CE2-CG2 3.63Å; F35-V66 HydrophobicContact CZ-CB 3.7Å; F35-V66 HydrophobicContact CZ-CG2 3.54Å; S50-V66 CarbonylContact C-O 3.59Å; S50-V66 WeakPolarHBondContact CA-O 3.47Å; Y51-V66 PolarHBondContact N-O 3.17Å; Y51-V66 PolarHBondContact O-N 2.81Å; L64-V66 HydrophobicContact CB-CG2 4.16Å; V66-F169 HydrophobicContact CG1-CE1 3.74Å; V66-F169 HydrophobicContact CG2-CD1 4.33Å; V66-F169 HydrophobicContact CG2-CE1 4.29Å
67L93.6Very high81.3Confident23 Ų2350.4 Ų50.412%0.1228%0.279CS..EExtended strand (participates in β ladder)trans-97118.8173.4-169.969.9000110.6L17 V18 V19 E48 T69 Y82L17-L67 PolarHBondContact O-N 3.15Å; V18-L67 HydrophobicContact CG1-CB 4.46Å; V18-L67 HydrophobicContact CG1-CD2 4.33Å; V18-L67 HydrophobicContact CG2-CB 4.43Å; V19-L67 PolarHBondContact N-O 2.78Å; E48-L67 HydrophobicContact CG-CD1 3.57Å; E48-L67 HydrophobicContact CG-CG 4.15Å; L67-T69 HydrophobicContact CD2-CG2 4.46Å; L67-Y82 HydrophobicContact CD2-CD1 3.57Å; L67-Y82 HydrophobicContact CD2-CD2 4.44Å; L67-Y82 HydrophobicContact CD2-CE1 4.47Å; L67-Y82 HydrophobicContact CD2-CG 3.55Å
68D89.5Confident79.7Confident0 Ų055.2 Ų55.20%030%0.302CS..EExtended strand (participates in β ladder)trans-90.1124.7168-174.642.9000110.3K27 S28 T31 T46 D49 Y51K27-D68 VanDerWaalsContact C-OD1 3.32Å; K27-D68 VanDerWaalsContact CB-OD1 3.28Å; K27-D68 WeakPolarHBondContact CB-OD1 3.25Å; S28-D68 VanDerWaalsContact CA-OD2 3.24Å; S28-D68 WeakPolarHBondContact CA-OD2 3.46Å; S28-D68 WeakPolarHBondContact CB-OD2 3.4Å; S28-D68 PolarHBondContact N-OD1 2.95Å; S28-D68 PolarHBondContact OG-OD2 3.36Å; T31-D68 HydrophobicContact CG2-CB 4.35Å; T46-D68 PolarHBondContact OG1-OD2 3.42Å; D49-D68 PolarHBondContact N-O 3.04Å; D49-D68 PolarHBondContact O-N 3.32Å; Y51-D68 HydrophobicContact CE2-CB 4.18Å
69T86Confident78.7Confident3 Ų352.4 Ų52.42%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-102.3152.7-176.964.90000111.3V18 V19 K27 L67 G71 Y82V18-T69 HydrophobicContact CG1-CG2 4.04Å; V19-T69 WeakPolarHBondContact O-CG2 3.28Å; V19-T69 PolarHBondContact O-OG1 3.17Å; K27-T69 WeakPolarHBondContact CE-O 3.48Å; K27-T69 WeakPolarHBondContact CE-OG1 3.47Å; L67-T69 HydrophobicContact CD2-CG2 4.46Å; T69-G71 PolarHBondContact O-N 3.49Å; T69-Y82 HydrophobicContact CG2-CE1 4.1Å; T69-Y82 HydrophobicContact CG2-CE2 4.19Å
70A75.4Confident77.9Confident26 Ų2654.6 Ų54.622%0.21528%0.28CS..  trans-64.6-29.5177.400000112.7K27 T46 Q72K27-A70 PolarHBondContact NZ-O 2.94Å; T46-A70 WeakPolarHBondContact O-CB 3.47Å; A70-Q72 VanDerWaalsContact C-N 3.28Å; A70-Q72 PolarHBondContact O-N 2.86Å
71G66.1Low77.4Confident17 Ų1755.9 Ų55.918%0.17529%0.286CS..SBendtrans75.98.4-175.600000115.5G21 G23 K27 T69G21-G71 WeakPolarHBondContact O-CA 3.36Å; G23-G71 PolarHBondContact N-O 3.12Å; K27-G71 VanDerWaalsContact NZ-CA 3.3Å; T69-G71 PolarHBondContact O-N 3.49Å
72Q63.9Low77Confident151 Ų15153.8 Ų53.871%0.70628%0.278SS*.  trans-110.36.9175.5-66.5-174.40.600112.9A70 E74A70-Q72 VanDerWaalsContact C-N 3.28Å; A70-Q72 PolarHBondContact O-N 2.86Å; Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.23Å
73E60.5Low76.7Confident35 Ų3553.9 Ų53.916%0.16428%0.278CS..  trans-88.166.6-164.3-67.5178-123.200113.6F75 S76 R79E73-F75 PolarHBondContact O-N 3.29Å; E73-S76 PolarHBondContact OE2-OG 3.41Å; E73-R79 WeakPolarHBondContact O-CD 3.39Å; E73-R79 PolarHBondContact O-NH1 3.47Å
74E52.2Low76.5Confident96 Ų9659.2 Ų59.245%0.44930%0.296SS..SBendtrans-67.5-16.6178.2-61.4-168.9130.500112.9Q72 R79 R106Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.23Å; E74-R79 PolarHBondContact O-NH1 3.21Å; E74-R106 IonicContact OE1-CZ 2.98Å; E74-R106 VanDerWaalsContact OE1-CZ 3.27Å; E74-R106 IonicContact OE1-NH1 3.51Å; E74-R106 PolarHBondContact OE1-NH1 3.05Å; E74-R106 IonicContact OE1-NH2 3.96Å; E74-R106 PolarHBondContact OE1-NH2 2.79Å
75F50.8Low76.2Confident193 Ų19362.4 Ų62.485%0.84632%0.316SS*.SBendtrans-144.214.6-168.9-57.3-75.6000117.3E73E73-F75 PolarHBondContact O-N 3.29Å
76S61.2Low76.2Confident37 Ų3760.7 Ų60.726%0.25931%0.307SS..  trans-82.8141.4-177.581.40000112.7E73 M78 R79E73-S76 PolarHBondContact OE2-OG 3.41Å; S76-M78 PolarHBondContact O-N 3.44Å; S76-R79 WeakPolarHBondContact O-CB 3.34Å; S76-R79 PolarHBondContact O-N 2.95Å; S76-R79 PolarHBondContact OG-N 3.45Å
77A61.5Low76.2Confident85 Ų8563.2 Ų63.270%0.70232%0.321SS*.Hα-helixtrans-63.8-25168.400000112.1R79 E80A77-R79 VanDerWaalsContact C-N 3.28Å; A77-R79 PolarHBondContact O-N 3.19Å; A77-E80 PolarHBondContact O-N 3.29Å
78M60.9Low76.4Confident102 Ų10262.1 Ų62.150%0.50232%0.315SS..Hα-helixtrans-62.8-35.6175.7-65.7177.863.200111.5E48 S76 E80 Q81 Y82E48-M78 WeakPolarHBondContact OE1-CE 3.48Å; S76-M78 PolarHBondContact O-N 3.44Å; M78-E80 VanDerWaalsContact C-N 3.31Å; M78-E80 PolarHBondContact O-N 2.76Å; M78-Q81 WeakPolarHBondContact O-CB 3.38Å; M78-Q81 PolarHBondContact O-N 2.68Å; M78-Q81 VanDerWaalsContact O-N 3.1Å; M78-Y82 WeakPolarHBondContact O-CD1 3.32Å; M78-Y82 PolarHBondContact O-N 2.84Å
79R72.9Confident76.8Confident37 Ų3762.1 Ų62.114%0.1432%0.315CS..Hα-helixtrans-55.4-42.9173.3-177.9171.7-176.8-168.211.2114E73 E74 S76 A77 Q81 Y82 M83 L110E73-R79 WeakPolarHBondContact O-CD 3.39Å; E73-R79 PolarHBondContact O-NH1 3.47Å; E74-R79 PolarHBondContact O-NH1 3.21Å; S76-R79 WeakPolarHBondContact O-CB 3.34Å; S76-R79 PolarHBondContact O-N 2.95Å; S76-R79 PolarHBondContact OG-N 3.45Å; A77-R79 VanDerWaalsContact C-N 3.28Å; A77-R79 PolarHBondContact O-N 3.19Å; R79-Q81 VanDerWaalsContact C-N 3.28Å; R79-Q81 PolarHBondContact O-N 2.84Å; R79-Y82 HydrophobicContact CB-CE1 4.23Å; R79-Y82 HydrophobicContact CB-CE2 4.46Å; R79-Y82 HydrophobicContact CG-CE2 4.12Å; R79-Y82 WeakPolarHBondContact CG-OH 3.39Å; R79-M83 HydrophobicContact CG-CG 4.15Å; R79-M83 WeakPolarHBondContact O-CB 3.36Å; R79-M83 WeakPolarHBondContact O-CG 3.27Å; R79-M83 PolarHBondContact O-N 2.76Å; R79-M83 VanDerWaalsContact O-N 3.1Å; R79-L110 VanDerWaalsContact CZ-CD2 3.42Å
80E76.3Confident77.4Confident103 Ų10362 Ų6248%0.48131%0.314SS..Hα-helixtrans-66.2-35.9-179.7-162.8179.9177.800111.4A77 M78 R84A77-E80 PolarHBondContact O-N 3.29Å; M78-E80 VanDerWaalsContact C-N 3.31Å; M78-E80 PolarHBondContact O-N 2.76Å; E80-R84 VanDerWaalsContact CD-NH2 3.33Å; E80-R84 WeakPolarHBondContact O-CB 3.32Å; E80-R84 PolarHBondContact O-N 2.85Å; E80-R84 IonicContact OE1-CZ 3.35Å; E80-R84 IonicContact OE1-NH2 3.92Å; E80-R84 PolarHBondContact OE1-NH2 3.35Å
81Q81.5Confident78.5Confident137 Ų13760.8 Ų60.864%0.6430%0.304SS*.Hα-helixtrans-67.1-52.5-178.7-176.2176.3-63.300112.5M78 R79 R84 T85M78-Q81 WeakPolarHBondContact O-CB 3.38Å; M78-Q81 PolarHBondContact O-N 2.68Å; M78-Q81 VanDerWaalsContact O-N 3.1Å; R79-Q81 VanDerWaalsContact C-N 3.28Å; R79-Q81 PolarHBondContact O-N 2.84Å; Q81-R84 PolarHBondContact O-N 3.44Å; Q81-T85 WeakPolarHBondContact O-CB 3.24Å; Q81-T85 WeakPolarHBondContact O-CG2 3.46Å; Q81-T85 PolarHBondContact O-N 3.18Å; Q81-T85 PolarHBondContact O-OG1 3.5Å
82Y84.8Confident80Confident18 Ų1860 Ų607%0.07130%0.296CS..Hα-helixtrans-71-33.9-179.661.2-116000112V18 E48 L67 T69 M78 R79 R84 T85 G86V18-Y82 HydrophobicContact CG1-CD2 3.77Å; V18-Y82 HydrophobicContact CG1-CE2 4.27Å; V18-Y82 HydrophobicContact CG1-CG 4.36Å; E48-Y82 WeakPolarHBondContact OE2-CD1 3.23Å; L67-Y82 HydrophobicContact CD2-CD1 3.57Å; L67-Y82 HydrophobicContact CD2-CD2 4.44Å; L67-Y82 HydrophobicContact CD2-CE1 4.47Å; L67-Y82 HydrophobicContact CD2-CG 3.55Å; T69-Y82 HydrophobicContact CG2-CE1 4.1Å; T69-Y82 HydrophobicContact CG2-CE2 4.19Å; M78-Y82 WeakPolarHBondContact O-CD1 3.32Å; M78-Y82 PolarHBondContact O-N 2.84Å; R79-Y82 HydrophobicContact CB-CE1 4.23Å; R79-Y82 HydrophobicContact CB-CE2 4.46Å; R79-Y82 HydrophobicContact CG-CE2 4.12Å; R79-Y82 WeakPolarHBondContact CG-OH 3.39Å; Y82-R84 VanDerWaalsContact C-N 3.3Å; Y82-R84 PolarHBondContact O-N 2.81Å; Y82-T85 PolarHBondContact O-N 3.35Å; Y82-G86 PolarHBondContact O-N 2.89Å
83M88.6Confident81.7Confident1 Ų152.9 Ų52.91%0.00526%0.263CS..Hα-helixtrans-62.9-38.9173.5-72.5-74.2179.700111V20 R79 F89 L110 I111 V114 K115V20-M83 HydrophobicContact CG1-CE 3.88Å; R79-M83 HydrophobicContact CG-CG 4.15Å; R79-M83 WeakPolarHBondContact O-CB 3.36Å; R79-M83 WeakPolarHBondContact O-CG 3.27Å; R79-M83 PolarHBondContact O-N 2.76Å; R79-M83 VanDerWaalsContact O-N 3.1Å; M83-F89 HydrophobicContact SD-CD1 4.3Å; M83-F89 HydrophobicContact SD-CE1 3.61Å; M83-F89 HydrophobicContact SD-CZ 4.12Å; M83-L110 HydrophobicContact CE-CD2 3.68Å; M83-L110 HydrophobicContact SD-CD2 4.34Å; M83-I111 HydrophobicContact CE-CG1 4.25Å; M83-I111 HydrophobicContact SD-CG1 3.71Å; M83-V114 HydrophobicContact CB-CB 4.05Å; M83-V114 HydrophobicContact CB-CG1 3.62Å; M83-V114 HydrophobicContact CB-CG2 4.19Å; M83-K115 WeakPolarHBondContact O-CE 3.23Å; M83-K115 PolarHBondContact O-NZ 3.28Å
84R90.9Very high83.5Confident143 Ų14351.3 Ų51.354%0.5426%0.255SS..Hα-helixtrans-71.4-41.7176.6-172179.5-67.6134.3-1.6112.4E80 Q81 Y82 V114 K115E80-R84 VanDerWaalsContact CD-NH2 3.33Å; E80-R84 WeakPolarHBondContact O-CB 3.32Å; E80-R84 PolarHBondContact O-N 2.85Å; E80-R84 IonicContact OE1-CZ 3.35Å; E80-R84 IonicContact OE1-NH2 3.92Å; E80-R84 PolarHBondContact OE1-NH2 3.35Å; Q81-R84 PolarHBondContact O-N 3.44Å; Y82-R84 VanDerWaalsContact C-N 3.3Å; Y82-R84 PolarHBondContact O-N 2.81Å; R84-V114 HydrophobicContact CB-CG1 4.37Å; R84-K115 PolarHBondContact O-NZ 3.16Å
85T90.8Very high85.7Confident67 Ų6746.7 Ų46.741%0.41123%0.234SC..Hα-helixtrans-95.4-16.6-16959.40000115.8Q81 Y82Q81-T85 WeakPolarHBondContact O-CB 3.24Å; Q81-T85 WeakPolarHBondContact O-CG2 3.46Å; Q81-T85 PolarHBondContact O-N 3.18Å; Q81-T85 PolarHBondContact O-OG1 3.5Å; Y82-T85 PolarHBondContact O-N 3.35Å
86G95.6Very high88Confident1 Ų138.7 Ų38.71%0.0120%0.201CC..  trans-64.5134.6178.800000113K16 Y82 K115 F120K16-G86 CarbonylContact O-C 3.59Å; Y82-G86 PolarHBondContact O-N 2.89Å; G86-K115 WeakPolarHBondContact O-CE 3.4Å; G86-K115 PolarHBondContact O-NZ 2.7Å; G86-F120 WeakPolarHBondContact O-CZ 3.28Å
87D97.3Very high89.7Confident52 Ų5239.5 Ų39.528%0.27820%0.202SC..SBendtrans-79.6-23.8176.8-64.3-53.7000112.3K16 F120 I176K16-D87 PolarHBondContact N-OD2 3.12Å; K16-D87 PolarHBondContact O-N 3.47Å; D87-F120 WeakPolarHBondContact O-CE1 3.41Å; D87-F120 WeakPolarHBondContact O-CZ 3.46Å; D87-I176 HydrophobicContact CB-CD1 4.07Å; D87-I176 HydrophobicContact CB-CG2 4.45Å
88G97.8Very high91.5Very high0 Ų040.8 Ų40.80%019%0.192CC..EExtended strand (participates in β ladder)trans-164.3163.2174.100000113.1K16 L17 V18 P121K16-G88 PolarHBondContact O-N 3.26Å; L17-G88 WeakPolarHBondContact CA-O 3.33Å; V18-G88 PolarHBondContact N-O 2.72Å; G88-P121 CarbonylContact C-O 3.52Å; G88-P121 VanDerWaalsContact CA-O 3.24Å; G88-P121 WeakPolarHBondContact CA-O 3.27Å
89F98.1Very high93.2Very high0 Ų037.9 Ų37.90%018%0.184CC..EExtended strand (participates in β ladder)trans-127.4135.4-173.4-60.8-98.9000112.8V18 V20 M83 I111 F120 P121 M122 V123V18-F89 HydrophobicContact CB-CD1 3.63Å; V18-F89 HydrophobicContact CB-CE1 3.67Å; V18-F89 HydrophobicContact CG1-CD1 4.09Å; V18-F89 HydrophobicContact CG1-CE1 4.03Å; V18-F89 HydrophobicContact CG2-CD1 4.34Å; V18-F89 HydrophobicContact CG2-CE1 3.93Å; V18-F89 HydrophobicContact CG2-CZ 4.46Å; V18-F89 CarbonylContact O-C 3.48Å; V18-F89 VanDerWaalsContact O-CA 3.32Å; V18-F89 WeakPolarHBondContact O-CA 3.41Å; V20-F89 HydrophobicContact CG1-CD1 4.15Å; M83-F89 HydrophobicContact SD-CD1 4.3Å; M83-F89 HydrophobicContact SD-CE1 3.61Å; M83-F89 HydrophobicContact SD-CZ 4.12Å; F89-I111 HydrophobicContact CB-CD1 3.71Å; F89-I111 HydrophobicContact CD1-CD1 3.91Å; F89-I111 HydrophobicContact CD1-CG1 4.03Å; F89-I111 HydrophobicContact CD2-CD1 4.2Å; F89-I111 HydrophobicContact CD2-CG1 4.27Å; F89-I111 HydrophobicContact CD2-CG2 3.66Å; F89-I111 HydrophobicContact CE1-CG1 4.31Å; F89-I111 HydrophobicContact CE2-CG2 3.77Å; F89-I111 HydrophobicContact CG-CD1 3.67Å; F89-I111 HydrophobicContact CG-CG1 4.04Å; F89-I111 HydrophobicContact CG-CG2 4.26Å; F89-I111 HydrophobicContact CZ-CG2 4.43Å; F89-F120 AromaticContact CD2-CD1 3.78Å; F89-F120 HydrophobicContact CD2-CD1 3.78Å; F89-F120 AromaticContact CD2-CE1 3.78Å; F89-F120 HydrophobicContact CD2-CE1 3.78Å; F89-F120 AromaticContact CE2-CD1 3.78Å; F89-F120 HydrophobicContact CE2-CD1 3.78Å; F89-F120 AromaticContact CE2-CE1 3.49Å; F89-F120 HydrophobicContact CE2-CE1 3.49Å; F89-F120 VanDerWaalsContact CE2-CE1 3.49Å; F89-F120 HydrophobicContact CE2-CZ 4.49Å; F89-P121 PolarHBondContact N-O 2.99Å; F89-M122 HydrophobicContact CB-CG 4.24Å; F89-M122 CarbonylContact O-C 3.47Å; F89-M122 VanDerWaalsContact O-CA 3.27Å; F89-M122 WeakPolarHBondContact O-CA 3.41Å; F89-V123 PolarHBondContact O-N 3.34Å
90L98.6Very high94.4Very high1 Ų136.2 Ų36.21%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-92.7118.9160.4-63.9-178.7000107.8V18 V19 V20 V92 V123 V125 F169 L172V18-L90 PolarHBondContact O-N 2.89Å; V19-L90 HydrophobicContact CG1-CB 4.39Å; V19-L90 HydrophobicContact CG2-CD1 4.32Å; V20-L90 WeakPolarHBondContact CG2-O 3.43Å; V20-L90 PolarHBondContact N-O 3.42Å; L90-V92 HydrophobicContact CB-CG2 4.3Å; L90-V123 HydrophobicContact CD2-CB 3.82Å; L90-V123 HydrophobicContact CD2-CG1 4.31Å; L90-V123 HydrophobicContact CD2-CG2 4.49Å; L90-V125 HydrophobicContact CB-CG2 4.29Å; L90-V125 HydrophobicContact CD2-CG2 3.96Å; L90-F169 HydrophobicContact CD1-CD1 3.71Å; L90-F169 HydrophobicContact CD1-CD2 4.3Å; L90-F169 HydrophobicContact CD1-CE1 3.49Å; L90-F169 VanDerWaalsContact CD1-CE1 3.49Å; L90-F169 HydrophobicContact CD1-CE2 4.11Å; L90-F169 HydrophobicContact CD1-CG 4.11Å; L90-F169 HydrophobicContact CD1-CZ 3.71Å; L90-L172 HydrophobicContact CD2-CB 3.98Å; L90-L172 HydrophobicContact CD2-CD2 3.82Å; L90-L172 HydrophobicContact CD2-CG 4.44Å; L90-L172 HydrophobicContact CG-CD2 3.84Å
91I98.1Very high95.4Very high1 Ų132.5 Ų32.51%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-96.5105.9172.7-52.1176.4000107.2V20 V104 F107 H108 I111 M122 V123 L124 V125V20-I91 HydrophobicContact CG2-CB 4.39Å; V20-I91 HydrophobicContact CG2-CG1 4Å; I91-V104 HydrophobicContact CG2-CB 4.48Å; I91-V104 HydrophobicContact CG2-CG1 4.12Å; I91-V104 HydrophobicContact CG2-CG2 4.29Å; I91-F107 HydrophobicContact CG2-CB 3.94Å; I91-F107 HydrophobicContact CG2-CG 4.48Å; I91-H108 HydrophobicContact CD1-CB 4.12Å; I91-I111 HydrophobicContact CD1-CD1 3.94Å; I91-I111 HydrophobicContact CG1-CD1 4.04Å; I91-M122 HydrophobicContact CD1-SD 4.06Å; I91-V123 PolarHBondContact N-O 3.13Å; I91-L124 HydrophobicContact CB-CD1 4.4Å; I91-L124 HydrophobicContact CG2-CD1 4.41Å; I91-V125 PolarHBondContact O-N 3.25Å
92V98.4Very high96.2Very high1 Ų131 Ų311%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-101.4131.1-173.2-170.30000110.3V19 V20 G21 V25 K27 L30 L90 V125 N127V19-V92 HydrophobicContact CG1-CG2 3.55Å; V20-V92 PolarHBondContact O-N 3.01Å; G21-V92 WeakPolarHBondContact CA-O 2.92Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 3.99Å; V25-V92 HydrophobicContact CG2-CG1 3.82Å; K27-V92 HydrophobicContact CG-CB 4.26Å; K27-V92 HydrophobicContact CG-CG2 4.42Å; L30-V92 HydrophobicContact CD1-CG1 3.8Å; L30-V92 HydrophobicContact CD1-CG2 4.18Å; L90-V92 HydrophobicContact CB-CG2 4.3Å; V92-V125 WeakPolarHBondContact CA-O 3.4Å; V92-V125 HydrophobicContact CG1-CG1 4.38Å; V92-V125 HydrophobicContact CG2-CB 4.15Å; V92-V125 HydrophobicContact CG2-CG1 4.48Å; V92-N127 HydrophobicContact CG1-CB 3.94Å
93F98.5Very high96.7Very high0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-127.8164.516677.3-86.3000110.1V95 S100 F101 V104 L124 V125 A126 N127 I137 Y153F93-V95 HydrophobicContact CE2-CG1 4.1Å; F93-S100 WeakPolarHBondContact CB-O 3.36Å; F93-F101 HydrophobicContact CD1-CD2 4.28Å; F93-F101 HydrophobicContact CD2-CB 3.77Å; F93-F101 AromaticContact CD2-CD2 3.95Å; F93-F101 HydrophobicContact CD2-CD2 3.95Å; F93-F101 HydrophobicContact CD2-CG 4.33Å; F93-F101 AromaticContact CE1-CD2 3.99Å; F93-F101 HydrophobicContact CE1-CD2 3.99Å; F93-F101 HydrophobicContact CE1-CE2 4.47Å; F93-F101 HydrophobicContact CE2-CB 4.12Å; F93-F101 AromaticContact CE2-CD2 3.66Å; F93-F101 HydrophobicContact CE2-CD2 3.66Å; F93-F101 HydrophobicContact CE2-CG 4.25Å; F93-F101 HydrophobicContact CG-CB 4.31Å; F93-F101 HydrophobicContact CG-CD2 4.24Å; F93-F101 AromaticContact CZ-CD2 3.66Å; F93-F101 HydrophobicContact CZ-CD2 3.66Å; F93-F101 HydrophobicContact CZ-CE2 4.16Å; F93-V104 HydrophobicContact CB-CG2 4.06Å; F93-V104 HydrophobicContact CD1-CG2 4.07Å; F93-V104 HydrophobicContact CG-CG2 4.3Å; F93-L124 HydrophobicContact CD1-CD1 3.83Å; F93-L124 HydrophobicContact CD1-CG 4.41Å; F93-L124 HydrophobicContact CE1-CD1 4Å; F93-L124 HydrophobicContact CE1-CD2 4.37Å; F93-L124 HydrophobicContact CE1-CG 4.1Å; F93-V125 WeakPolarHBondContact CD1-O 3.4Å; F93-V125 PolarHBondContact N-O 2.95Å; F93-A126 HydrophobicContact CD1-CB 4.45Å; F93-A126 HydrophobicContact CE1-CB 3.59Å; F93-A126 HydrophobicContact CE2-CB 4.14Å; F93-A126 HydrophobicContact CZ-CB 3.41Å; F93-A126 VanDerWaalsContact CZ-CB 3.41Å; F93-N127 PolarHBondContact O-N 3.4Å; F93-I137 HydrophobicContact CE2-CB 4.08Å; F93-I137 HydrophobicContact CE2-CG1 4.2Å; F93-I137 HydrophobicContact CE2-CG2 3.87Å; F93-I137 HydrophobicContact CZ-CG2 4.19Å; F93-Y153 HydrophobicContact CE1-CE2 4.24Å; F93-Y153 HydrophobicContact CZ-CE2 4.35Å
94S98.5Very high97.1Very high2 Ų233.5 Ų33.51%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-99130.1173.8-179.40000110.2T96 D97 S100 K128S94-T96 PolarHBondContact O-N 3.46Å; S94-T96 PolarHBondContact OG-N 3Å; S94-T96 PolarHBondContact OG-OG1 3.29Å; S94-D97 PolarHBondContact O-N 3.06Å; S94-D97 VanDerWaalsContact O-O 3.12Å; S94-S100 PolarHBondContact N-OG 2.82Å; S94-S100 PolarHBondContact O-OG 2.84Å; S94-K128 WeakPolarHBondContact OG-CD 3.38Å
95V98.8Very high97.4Very high0 Ų028.7 Ų28.70%015%0.151CC..THydrogen-bonded Turntrans-64.1-14.2175.6-59.30000113.3F93 A126 N127 K128 V129 R135 K136 I137F93-V95 HydrophobicContact CE2-CG1 4.1Å; V95-A126 HydrophobicContact CG1-CB 3.77Å; V95-N127 PolarHBondContact N-O 3.5Å; V95-K128 WeakPolarHBondContact CG2-O 3.18Å; V95-V129 HydrophobicContact CG1-CG1 3.81Å; V95-V129 HydrophobicContact CG2-CG1 4.15Å; V95-R135 HydrophobicContact CB-CG 4.19Å; V95-R135 HydrophobicContact CG2-CG 4.2Å; V95-K136 PolarHBondContact O-N 2.97Å; V95-I137 PolarHBondContact O-N 2.8Å; V95-I137 VanDerWaalsContact O-N 3.12Å
96T98.5Very high97.5Very high24 Ų2430.2 Ų30.215%0.14715%0.149CC..THydrogen-bonded Turntrans-91.6-4.4176.271.70000113.8S94 L131 L134 K136S94-T96 PolarHBondContact O-N 3.46Å; S94-T96 PolarHBondContact OG-N 3Å; S94-T96 PolarHBondContact OG-OG1 3.29Å; T96-L131 HydrophobicContact CG2-CB 3.68Å; T96-L131 HydrophobicContact CG2-CD1 3.86Å; T96-L131 HydrophobicContact CG2-CG 4.4Å; T96-L134 WeakPolarHBondContact CA-O 3.05Å; T96-L134 WeakPolarHBondContact CB-O 3.33Å; T96-L134 HydrophobicContact CG2-CB 3.74Å; T96-K136 VanDerWaalsContact O-CD 3.23Å; T96-K136 WeakPolarHBondContact O-CD 3.42Å; T96-K136 WeakPolarHBondContact O-CE 3.45Å; T96-K136 PolarHBondContact O-NZ 2.9Å
97D98.1Very high97.4Very high55 Ų5531.2 Ų31.229%0.29415%0.153SC..  trans-129.2104.8-176.4-177.47.1000111S94 A99 S100 F101S94-D97 PolarHBondContact O-N 3.06Å; S94-D97 VanDerWaalsContact O-O 3.12Å; D97-A99 VanDerWaalsContact C-N 3.33Å; D97-A99 PolarHBondContact O-N 3.29Å; D97-A99 PolarHBondContact OD1-N 2.87Å; D97-A99 VanDerWaalsContact OD1-N 3.08Å; D97-S100 PolarHBondContact O-N 3.27Å; D97-S100 PolarHBondContact O-OG 2.91Å; D97-F101 PolarHBondContact O-N 2.93Å
98K98.1Very high97.4Very high111 Ų11129.5 Ų29.548%0.48314%0.144SC..Hα-helixtrans-65.8-34.9-178.3-172.2-179-175.8-153.20112.5S100 F101 E102 I137K98-S100 VanDerWaalsContact C-N 3.34Å; K98-S100 PolarHBondContact O-N 3.33Å; K98-F101 WeakPolarHBondContact O-CB 3.47Å; K98-F101 PolarHBondContact O-N 2.91Å; K98-E102 WeakPolarHBondContact CE-OE1 3.28Å; K98-E102 IonicContact NZ-OE1 2.93Å; K98-E102 PolarHBondContact NZ-OE1 3.06Å; K98-E102 PolarHBondContact O-N 2.8Å; K98-I137 HydrophobicContact CB-CD1 4.21Å; K98-I137 HydrophobicContact CG-CD1 3.93Å
99A97.1Very high97.3Very high41 Ų4135.7 Ų35.734%0.33917%0.172SC..Hα-helixtrans-64-43.7179.500000110.5D97 F101 E102 H103D97-A99 VanDerWaalsContact C-N 3.33Å; D97-A99 PolarHBondContact O-N 3.29Å; D97-A99 PolarHBondContact OD1-N 2.87Å; D97-A99 VanDerWaalsContact OD1-N 3.08Å; A99-F101 PolarHBondContact O-N 3Å; A99-E102 PolarHBondContact O-N 3.05Å; A99-E102 VanDerWaalsContact O-N 3.11Å; A99-H103 VanDerWaalsContact O-CG 3.32Å; A99-H103 PolarHBondContact O-N 3.46Å; A99-H103 PolarHBondContact O-ND1 2.73Å
100S97.5Very high97.1Very high2 Ų237.4 Ų37.41%0.01418%0.182CC..Hα-helixtrans-58.7-31.9176.377.90000113.5D22 F93 S94 D97 K98D22-S100 WeakPolarHBondContact OD2-CA 3.37Å; F93-S100 WeakPolarHBondContact CB-O 3.36Å; S94-S100 PolarHBondContact N-OG 2.82Å; S94-S100 PolarHBondContact O-OG 2.84Å; D97-S100 PolarHBondContact O-N 3.27Å; D97-S100 PolarHBondContact O-OG 2.91Å; K98-S100 VanDerWaalsContact C-N 3.34Å; K98-S100 PolarHBondContact O-N 3.33Å
101F98.6Very high96.9Very high26 Ų2637.4 Ų37.411%0.11418%0.181CC..Hα-helixtrans-73.9-44.3175.3175.5-107.5000112F93 D97 K98 A99 H103 V104 I137 Q141 M145F93-F101 HydrophobicContact CD1-CD2 4.28Å; F93-F101 HydrophobicContact CD2-CB 3.77Å; F93-F101 AromaticContact CD2-CD2 3.95Å; F93-F101 HydrophobicContact CD2-CD2 3.95Å; F93-F101 HydrophobicContact CD2-CG 4.33Å; F93-F101 AromaticContact CE1-CD2 3.99Å; F93-F101 HydrophobicContact CE1-CD2 3.99Å; F93-F101 HydrophobicContact CE1-CE2 4.47Å; F93-F101 HydrophobicContact CE2-CB 4.12Å; F93-F101 AromaticContact CE2-CD2 3.66Å; F93-F101 HydrophobicContact CE2-CD2 3.66Å; F93-F101 HydrophobicContact CE2-CG 4.25Å; F93-F101 HydrophobicContact CG-CB 4.31Å; F93-F101 HydrophobicContact CG-CD2 4.24Å; F93-F101 AromaticContact CZ-CD2 3.66Å; F93-F101 HydrophobicContact CZ-CD2 3.66Å; F93-F101 HydrophobicContact CZ-CE2 4.16Å; D97-F101 PolarHBondContact O-N 2.93Å; K98-F101 WeakPolarHBondContact O-CB 3.47Å; K98-F101 PolarHBondContact O-N 2.91Å; A99-F101 PolarHBondContact O-N 3Å; F101-H103 PolarHBondContact O-N 2.98Å; F101-V104 VanDerWaalsContact O-CB 3.25Å; F101-V104 WeakPolarHBondContact O-CB 3.26Å; F101-V104 VanDerWaalsContact O-CG2 3.28Å; F101-V104 WeakPolarHBondContact O-CG2 3.44Å; F101-V104 PolarHBondContact O-N 2.96Å; F101-V104 VanDerWaalsContact O-N 3.12Å; F101-I137 HydrophobicContact CB-CD1 3.89Å; F101-I137 HydrophobicContact CB-CG1 3.85Å; F101-I137 HydrophobicContact CD1-CD1 3.66Å; F101-I137 HydrophobicContact CD1-CG1 4.31Å; F101-I137 HydrophobicContact CD1-CG2 4.32Å; F101-I137 HydrophobicContact CD2-CG2 3.93Å; F101-I137 HydrophobicContact CE1-CD1 4.38Å; F101-I137 HydrophobicContact CE1-CG2 4.41Å; F101-I137 HydrophobicContact CE2-CG2 4.04Å; F101-I137 HydrophobicContact CG-CD1 3.86Å; F101-I137 HydrophobicContact CG-CG1 4.01Å; F101-I137 HydrophobicContact CG-CG2 4.06Å; F101-I137 HydrophobicContact CZ-CG2 4.27Å; F101-Q141 HydrophobicContact CZ-CB 4.2Å; F101-Q141 WeakPolarHBondContact CZ-O 3.25Å; F101-M145 HydrophobicContact CE2-CB 3.72Å; F101-M145 HydrophobicContact CE2-CG 3.9Å; F101-M145 HydrophobicContact CE2-SD 4.26Å; F101-M145 HydrophobicContact CZ-CB 3.78Å; F101-M145 HydrophobicContact CZ-CG 4.2Å; F101-M145 HydrophobicContact CZ-SD 4.2Å
102E97Very high96.8Very high106 Ų10638.7 Ų38.750%0.49519%0.188SC..Hα-helixtrans-61.6-32.7176.6-69.5172.1-179.200111.7K98 A99 V104K98-E102 WeakPolarHBondContact CE-OE1 3.28Å; K98-E102 IonicContact NZ-OE1 2.93Å; K98-E102 PolarHBondContact NZ-OE1 3.06Å; K98-E102 PolarHBondContact O-N 2.8Å; A99-E102 PolarHBondContact O-N 3.05Å; A99-E102 VanDerWaalsContact O-N 3.11Å; E102-V104 VanDerWaalsContact C-N 3.3Å; E102-V104 PolarHBondContact O-N 2.91Å
103H96.1Very high96.6Very high69 Ų6948.7 Ų48.732%0.31923%0.226SC..THydrogen-bonded Turntrans-75.8-8.8177.1-64.1159.7000114.9D22 A99 F101 D105 R106 F107D22-H103 IonicContact OD1-CG 2.65Å; D22-H103 IonicContact OD1-ND1 2.68Å; D22-H103 PolarHBondContact OD1-ND1 2.99Å; D22-H103 IonicContact OD2-CE1 3.27Å; D22-H103 IonicContact OD2-CG 2.9Å; D22-H103 IonicContact OD2-ND1 2.76Å; D22-H103 PolarHBondContact OD2-ND1 3.3Å; A99-H103 VanDerWaalsContact O-CG 3.32Å; A99-H103 PolarHBondContact O-N 3.46Å; A99-H103 PolarHBondContact O-ND1 2.73Å; F101-H103 PolarHBondContact O-N 2.98Å; H103-D105 PolarHBondContact O-N 2.79Å; H103-R106 WeakPolarHBondContact O-CB 3.35Å; H103-R106 PolarHBondContact O-N 2.89Å; H103-F107 HydrophobicContact CB-CE2 4.33Å; H103-F107 VanDerWaalsContact O-CD2 3.26Å; H103-F107 WeakPolarHBondContact O-CD2 3.44Å; H103-F107 PolarHBondContact O-N 3.44Å
104V96.9Very high96.3Very high1 Ų150.8 Ų50.81%0.00624%0.238CC..Hα-helixtrans-54.8-42.4174.7168.70000111.3I91 F93 F101 E102 R106 F107 H108 L124 M145I91-V104 HydrophobicContact CG2-CB 4.48Å; I91-V104 HydrophobicContact CG2-CG1 4.12Å; I91-V104 HydrophobicContact CG2-CG2 4.29Å; F93-V104 HydrophobicContact CB-CG2 4.06Å; F93-V104 HydrophobicContact CD1-CG2 4.07Å; F93-V104 HydrophobicContact CG-CG2 4.3Å; F101-V104 VanDerWaalsContact O-CB 3.25Å; F101-V104 WeakPolarHBondContact O-CB 3.26Å; F101-V104 VanDerWaalsContact O-CG2 3.28Å; F101-V104 WeakPolarHBondContact O-CG2 3.44Å; F101-V104 PolarHBondContact O-N 2.96Å; F101-V104 VanDerWaalsContact O-N 3.12Å; E102-V104 VanDerWaalsContact C-N 3.3Å; E102-V104 PolarHBondContact O-N 2.91Å; V104-R106 VanDerWaalsContact C-N 3.25Å; V104-R106 PolarHBondContact O-N 3.37Å; V104-F107 PolarHBondContact O-N 2.93Å; V104-H108 WeakPolarHBondContact O-CB 3.35Å; V104-H108 PolarHBondContact O-N 2.61Å; V104-L124 HydrophobicContact CB-CD1 4.41Å; V104-L124 HydrophobicContact CG1-CD1 3.59Å; V104-L124 HydrophobicContact CG2-CD1 3.86Å; V104-M145 HydrophobicContact CB-SD 4.21Å; V104-M145 HydrophobicContact CG1-CG 3.97Å; V104-M145 HydrophobicContact CG1-SD 4.08Å
105D96.3Very high96.1Very high43 Ų4352.1 Ų52.123%0.2324%0.244CC..Hα-helixtrans-56.1-40.6177.3-85.2-30.9000111.5H103 Q109 K148 H149H103-D105 PolarHBondContact O-N 2.79Å; D105-Q109 WeakPolarHBondContact O-CB 3.33Å; D105-Q109 VanDerWaalsContact O-CG 3.26Å; D105-Q109 WeakPolarHBondContact O-CG 3.34Å; D105-Q109 PolarHBondContact O-N 2.98Å; D105-K148 IonicContact OD1-NZ 2.86Å; D105-K148 PolarHBondContact OD1-NZ 3.36Å; D105-K148 IonicContact OD2-NZ 3.57Å; D105-K148 PolarHBondContact OD2-NZ 3.34Å; D105-H149 IonicContact OD1-CD2 2.8Å; D105-H149 IonicContact OD1-CE1 3.75Å; D105-H149 PolarHBondContact OD1-CE1 2.72Å; D105-H149 IonicContact OD1-NE2 3.73Å; D105-H149 PolarHBondContact OD1-NE2 3.12Å
106R94.1Very high95.9Very high99 Ų9958.8 Ų58.837%0.37428%0.28SS..Hα-helixtrans-66.7-43.9179.6-177.2-173.2177.9-164.34.3111.7E74 H103 V104 L110E74-R106 IonicContact OE1-CZ 2.98Å; E74-R106 VanDerWaalsContact OE1-CZ 3.27Å; E74-R106 IonicContact OE1-NH1 3.51Å; E74-R106 PolarHBondContact OE1-NH1 3.05Å; E74-R106 IonicContact OE1-NH2 3.96Å; E74-R106 PolarHBondContact OE1-NH2 2.79Å; H103-R106 WeakPolarHBondContact O-CB 3.35Å; H103-R106 PolarHBondContact O-N 2.89Å; V104-R106 VanDerWaalsContact C-N 3.25Å; V104-R106 PolarHBondContact O-N 3.37Å; R106-L110 VanDerWaalsContact O-CB 3.31Å; R106-L110 WeakPolarHBondContact O-CB 3.49Å; R106-L110 PolarHBondContact O-N 3.23Å
107F94.3Very high95.6Very high21 Ų2165.7 Ų65.79%0.09230%0.303CS..Hα-helixtrans-64.6-45.1177.1-73.1-73.9000111.5V20 D22 I91 H103 V104 L110 I111V20-F107 HydrophobicContact CB-CD1 3.98Å; V20-F107 HydrophobicContact CB-CE1 4.27Å; V20-F107 HydrophobicContact CG2-CB 4.35Å; V20-F107 HydrophobicContact CG2-CD1 4.03Å; V20-F107 HydrophobicContact CG2-CG 4.34Å; D22-F107 WeakPolarHBondContact OD1-CE2 3.39Å; I91-F107 HydrophobicContact CG2-CB 3.94Å; I91-F107 HydrophobicContact CG2-CG 4.48Å; H103-F107 HydrophobicContact CB-CE2 4.33Å; H103-F107 VanDerWaalsContact O-CD2 3.26Å; H103-F107 WeakPolarHBondContact O-CD2 3.44Å; H103-F107 PolarHBondContact O-N 3.44Å; V104-F107 PolarHBondContact O-N 2.93Å; F107-L110 PolarHBondContact O-N 3Å; F107-I111 WeakPolarHBondContact O-CD1 3.3Å; F107-I111 VanDerWaalsContact O-CG1 3.29Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 2.94Å
108H96.8Very high95.4Very high17 Ų1772.3 Ų72.38%0.07933%0.332CS..Hα-helixtrans-58.4-52.5177.7179-96.8000112I91 V104 L110 I111 L112 M122 H149I91-H108 HydrophobicContact CD1-CB 4.12Å; V104-H108 WeakPolarHBondContact O-CB 3.35Å; V104-H108 PolarHBondContact O-N 2.61Å; H108-L110 VanDerWaalsContact C-N 3.29Å; H108-L110 PolarHBondContact O-N 3.2Å; H108-I111 PolarHBondContact O-N 2.93Å; H108-L112 WeakPolarHBondContact CE1-CD1 3.45Å; H108-L112 PolarHBondContact O-N 2.75Å; H108-L112 VanDerWaalsContact O-N 3.13Å; H108-M122 WeakPolarHBondContact CD2-CE 3.44Å; H108-M122 WeakPolarHBondContact NE2-CE 3.25Å; H108-H149 AromaticContact CD2-CG 3.92Å; H108-H149 AromaticContact CE1-CG 3.81Å; H108-H149 AromaticContact CE1-ND1 3.28Å; H108-H149 PolarHBondContact CE1-ND1 3.21Å; H108-H149 VanDerWaalsContact CE1-ND1 3.28Å; H108-H149 AromaticContact CG-CE1 3.98Å; H108-H149 AromaticContact CG-CG 3.85Å; H108-H149 AromaticContact CG-ND1 3.67Å; H108-H149 AromaticContact ND1-CE1 3.58Å; H108-H149 AromaticContact ND1-CG 3.8Å; H108-H149 AromaticContact ND1-ND1 3.16Å; H108-H149 PolarHBondContact ND1-ND1 2.86Å; H108-H149 VanDerWaalsContact ND1-ND1 3.16Å; H108-H149 AromaticContact NE2-CG 3.92Å; H108-H149 AromaticContact NE2-ND1 3.87Å
109Q95.5Very high95.2Very high129 Ų12970.1 Ų70.160%0.60334%0.335SS*.Hα-helixtrans-59.7-39.8178.8-73.91761.500112.5D105 R113D105-Q109 WeakPolarHBondContact O-CB 3.33Å; D105-Q109 VanDerWaalsContact O-CG 3.26Å; D105-Q109 WeakPolarHBondContact O-CG 3.34Å; D105-Q109 PolarHBondContact O-N 2.98Å; Q109-R113 VanDerWaalsContact O-CB 3.27Å; Q109-R113 WeakPolarHBondContact O-CB 3.42Å; Q109-R113 PolarHBondContact O-N 3.32Å
110L92.9Very high95.2Very high37 Ų3769.8 Ų69.819%0.19433%0.325CS..Hα-helixtrans-64.4-46.1177.517873.2000112.2R79 M83 R106 F107 H108 L112 R113 V114R79-L110 VanDerWaalsContact CZ-CD2 3.42Å; M83-L110 HydrophobicContact CE-CD2 3.68Å; M83-L110 HydrophobicContact SD-CD2 4.34Å; R106-L110 VanDerWaalsContact O-CB 3.31Å; R106-L110 WeakPolarHBondContact O-CB 3.49Å; R106-L110 PolarHBondContact O-N 3.23Å; F107-L110 PolarHBondContact O-N 3Å; H108-L110 VanDerWaalsContact C-N 3.29Å; H108-L110 PolarHBondContact O-N 3.2Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.41Å; L110-R113 PolarHBondContact O-N 3.01Å; L110-V114 HydrophobicContact CD1-CG2 4.02Å; L110-V114 HydrophobicContact CG-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CG2 3.5Å; L110-V114 PolarHBondContact O-N 2.87Å
111I94.6Very high95.2Very high0 Ų069.9 Ų69.90%033%0.326CS..Hα-helixtrans-57.4-50.9179.6-70.3159.5000109V20 M83 F89 I91 F107 H108 R113 V114 K115 F120 M122V20-I111 HydrophobicContact CG2-CD1 4.29Å; M83-I111 HydrophobicContact CE-CG1 4.25Å; M83-I111 HydrophobicContact SD-CG1 3.71Å; F89-I111 HydrophobicContact CB-CD1 3.71Å; F89-I111 HydrophobicContact CD1-CD1 3.91Å; F89-I111 HydrophobicContact CD1-CG1 4.03Å; F89-I111 HydrophobicContact CD2-CD1 4.2Å; F89-I111 HydrophobicContact CD2-CG1 4.27Å; F89-I111 HydrophobicContact CD2-CG2 3.66Å; F89-I111 HydrophobicContact CE1-CG1 4.31Å; F89-I111 HydrophobicContact CE2-CG2 3.77Å; F89-I111 HydrophobicContact CG-CD1 3.67Å; F89-I111 HydrophobicContact CG-CG1 4.04Å; F89-I111 HydrophobicContact CG-CG2 4.26Å; F89-I111 HydrophobicContact CZ-CG2 4.43Å; I91-I111 HydrophobicContact CD1-CD1 3.94Å; I91-I111 HydrophobicContact CG1-CD1 4.04Å; F107-I111 WeakPolarHBondContact O-CD1 3.3Å; F107-I111 VanDerWaalsContact O-CG1 3.29Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 2.94Å; H108-I111 PolarHBondContact O-N 2.93Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 3.24Å; I111-V114 PolarHBondContact O-N 2.65Å; I111-K115 HydrophobicContact CG2-CG 4.22Å; I111-K115 VanDerWaalsContact O-CB 3.28Å; I111-K115 WeakPolarHBondContact O-CB 3.36Å; I111-K115 WeakPolarHBondContact O-CG 3.37Å; I111-K115 PolarHBondContact O-N 2.98Å; I111-F120 HydrophobicContact CG2-CB 4.4Å; I111-F120 HydrophobicContact CG2-CD1 4.08Å; I111-F120 HydrophobicContact CG2-CG 4.46Å; I111-M122 HydrophobicContact CB-SD 4.05Å; I111-M122 HydrophobicContact CD1-CG 4.44Å; I111-M122 HydrophobicContact CD1-SD 3.85Å; I111-M122 HydrophobicContact CG2-CG 4.38Å; I111-M122 HydrophobicContact CG2-SD 3.75Å
112L95.9Very high95.2Very high28 Ų2868.8 Ų68.815%0.14732%0.322CS..Hα-helixtrans-60.2-42.8178.8-67-173.5000112.5H108 L110 K115 D116 R117 F120 M122H108-L112 WeakPolarHBondContact CE1-CD1 3.45Å; H108-L112 PolarHBondContact O-N 2.75Å; H108-L112 VanDerWaalsContact O-N 3.13Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.41Å; L112-K115 PolarHBondContact O-N 3.25Å; L112-D116 PolarHBondContact O-N 3.41Å; L112-R117 WeakPolarHBondContact CB-O 3.5Å; L112-R117 PolarHBondContact O-N 3.21Å; L112-F120 HydrophobicContact CD2-CB 3.98Å; L112-M122 HydrophobicContact CD2-CE 3.73Å; L112-M122 HydrophobicContact CG-CE 4.22Å
113R94.3Very high95.3Very high211 Ų21163.8 Ų63.880%0.79630%0.298SS*.Hα-helixtrans-61.6-45.7177.1-179.7-178.9174.6-174.9-1.2112.4Q109 L110 I111 K115 D116Q109-R113 VanDerWaalsContact O-CB 3.27Å; Q109-R113 WeakPolarHBondContact O-CB 3.42Å; Q109-R113 PolarHBondContact O-N 3.32Å; L110-R113 PolarHBondContact O-N 3.01Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 3.24Å; R113-K115 VanDerWaalsContact C-N 3.34Å; R113-D116 PolarHBondContact O-N 3.24Å
114V92.8Very high95.4Very high44 Ų4460.5 Ų60.527%0.26728%0.283SS..Hα-helixtrans-72.1-32.3-179.7176.50000111.3M83 R84 L110 I111 D116M83-V114 HydrophobicContact CB-CB 4.05Å; M83-V114 HydrophobicContact CB-CG1 3.62Å; M83-V114 HydrophobicContact CB-CG2 4.19Å; R84-V114 HydrophobicContact CB-CG1 4.37Å; L110-V114 HydrophobicContact CD1-CG2 4.02Å; L110-V114 HydrophobicContact CG-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CG2 3.5Å; L110-V114 PolarHBondContact O-N 2.87Å; I111-V114 PolarHBondContact O-N 2.65Å; V114-D116 VanDerWaalsContact C-N 3.33Å
115K93.3Very high95.5Very high31 Ų3160.4 Ų60.414%0.13528%0.282CS..Hα-helixtrans-77.1-18.8176.5-68.8-62-174.4-176.40114.1M83 R84 G86 I111 L112 R113 R117 F120M83-K115 WeakPolarHBondContact O-CE 3.23Å; M83-K115 PolarHBondContact O-NZ 3.28Å; R84-K115 PolarHBondContact O-NZ 3.16Å; G86-K115 WeakPolarHBondContact O-CE 3.4Å; G86-K115 PolarHBondContact O-NZ 2.7Å; I111-K115 HydrophobicContact CG2-CG 4.22Å; I111-K115 VanDerWaalsContact O-CB 3.28Å; I111-K115 WeakPolarHBondContact O-CB 3.36Å; I111-K115 WeakPolarHBondContact O-CG 3.37Å; I111-K115 PolarHBondContact O-N 2.98Å; L112-K115 PolarHBondContact O-N 3.25Å; R113-K115 VanDerWaalsContact C-N 3.34Å; K115-R117 HydrophobicContact CB-CB 4.33Å; K115-R117 HydrophobicContact CB-CG 4.16Å; K115-F120 HydrophobicContact CB-CD2 3.97Å; K115-F120 HydrophobicContact CB-CE2 4.42Å; K115-F120 HydrophobicContact CB-CG 4.35Å; K115-F120 HydrophobicContact CD-CD1 4.46Å; K115-F120 HydrophobicContact CD-CD2 3.89Å; K115-F120 HydrophobicContact CD-CE1 4.17Å; K115-F120 HydrophobicContact CD-CE2 3.53Å; K115-F120 HydrophobicContact CD-CG 4.36Å; K115-F120 HydrophobicContact CD-CZ 3.71Å; K115-F120 VanDerWaalsContact CE-CE1 3.43Å; K115-F120 HydrophobicContact CG-CD1 4.1Å; K115-F120 HydrophobicContact CG-CD2 3.66Å; K115-F120 HydrophobicContact CG-CE1 4.31Å; K115-F120 HydrophobicContact CG-CE2 3.87Å; K115-F120 HydrophobicContact CG-CG 3.81Å; K115-F120 HydrophobicContact CG-CZ 4.21Å
116D94.6Very high95.6Very high140 Ų14058.4 Ų58.475%0.74927%0.272SS*.THydrogen-bonded Turntrans54.452.5-173.2-16736.4000111L112 R113 V114L112-D116 PolarHBondContact O-N 3.41Å; R113-D116 PolarHBondContact O-N 3.24Å; V114-D116 VanDerWaalsContact C-N 3.33Å
117R93.3Very high95.9Very high169 Ų16953.8 Ų53.864%0.63825%0.254SS*.  trans-141.5151.4-177.5-64.8-66.5-174.4-141.4-1.2111L112 K115 A119 F120L112-R117 WeakPolarHBondContact CB-O 3.5Å; L112-R117 PolarHBondContact O-N 3.21Å; K115-R117 HydrophobicContact CB-CB 4.33Å; K115-R117 HydrophobicContact CB-CG 4.16Å; R117-A119 WeakPolarHBondContact CB-O 3.25Å; R117-F120 HydrophobicContact CG-CD2 4.48Å
118E92.8Very high96Very high194 Ų19455.5 Ų55.591%0.90726%0.262SS*.SBendtrans-78.1-26.3170.5-63.1-177.5165.900112.7
119A94.3Very high96.1Very high64 Ų6455.5 Ų55.553%0.52926%0.263SS..  trans-142.1145.7176.300000110.7R117R117-A119 WeakPolarHBondContact CB-O 3.25Å
120F97.1Very high96.3Very high34 Ų3452.2 Ų52.215%0.14925%0.249CC..  trans-148.4152.7179.1-161.4-97000110.4G86 D87 F89 I111 L112 K115 R117 M122G86-F120 WeakPolarHBondContact O-CZ 3.28Å; D87-F120 WeakPolarHBondContact O-CE1 3.41Å; D87-F120 WeakPolarHBondContact O-CZ 3.46Å; F89-F120 AromaticContact CD2-CD1 3.78Å; F89-F120 HydrophobicContact CD2-CD1 3.78Å; F89-F120 AromaticContact CD2-CE1 3.78Å; F89-F120 HydrophobicContact CD2-CE1 3.78Å; F89-F120 AromaticContact CE2-CD1 3.78Å; F89-F120 HydrophobicContact CE2-CD1 3.78Å; F89-F120 AromaticContact CE2-CE1 3.49Å; F89-F120 HydrophobicContact CE2-CE1 3.49Å; F89-F120 VanDerWaalsContact CE2-CE1 3.49Å; F89-F120 HydrophobicContact CE2-CZ 4.49Å; I111-F120 HydrophobicContact CG2-CB 4.4Å; I111-F120 HydrophobicContact CG2-CD1 4.08Å; I111-F120 HydrophobicContact CG2-CG 4.46Å; L112-F120 HydrophobicContact CD2-CB 3.98Å; K115-F120 HydrophobicContact CB-CD2 3.97Å; K115-F120 HydrophobicContact CB-CE2 4.42Å; K115-F120 HydrophobicContact CB-CG 4.35Å; K115-F120 HydrophobicContact CD-CD1 4.46Å; K115-F120 HydrophobicContact CD-CD2 3.89Å; K115-F120 HydrophobicContact CD-CE1 4.17Å; K115-F120 HydrophobicContact CD-CE2 3.53Å; K115-F120 HydrophobicContact CD-CG 4.36Å; K115-F120 HydrophobicContact CD-CZ 3.71Å; K115-F120 VanDerWaalsContact CE-CE1 3.43Å; K115-F120 HydrophobicContact CG-CD1 4.1Å; K115-F120 HydrophobicContact CG-CD2 3.66Å; K115-F120 HydrophobicContact CG-CE1 4.31Å; K115-F120 HydrophobicContact CG-CE2 3.87Å; K115-F120 HydrophobicContact CG-CG 3.81Å; K115-F120 HydrophobicContact CG-CZ 4.21Å; R117-F120 HydrophobicContact CG-CD2 4.48Å; F120-M122 HydrophobicContact CB-CE 4.2Å; F120-M122 WeakPolarHBondContact O-CE 3.47Å; F120-M122 PolarHBondContact O-N 3.24Å
121P98.2Very high96.4Very high4 Ų453.2 Ų53.23%0.02626%0.255CS..  trans-60.7112.9-179.4-26.737.9000112.3G88 F89 L172 V175 I176 Q179G88-P121 CarbonylContact C-O 3.52Å; G88-P121 VanDerWaalsContact CA-O 3.24Å; G88-P121 WeakPolarHBondContact CA-O 3.27Å; F89-P121 PolarHBondContact N-O 2.99Å; P121-L172 HydrophobicContact CB-CD1 4.32Å; P121-V175 HydrophobicContact CB-CG1 3.85Å; P121-I176 HydrophobicContact CB-CB 4.44Å; P121-I176 HydrophobicContact CB-CG1 3.53Å; P121-I176 HydrophobicContact CG-CB 4.49Å; P121-I176 HydrophobicContact CG-CG1 3.94Å; P121-Q179 VanDerWaalsContact CG-CD 3.49Å; P121-Q179 HydrophobicContact CG-CG 4.29Å; P121-Q179 VanDerWaalsContact CG-OE1 3.26Å
122M98.4Very high96.6Very high4 Ų458 Ų582%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-144.4146.2-176.8-68179.6-7700110.1F89 I91 H108 I111 L112 F120 I151F89-M122 HydrophobicContact CB-CG 4.24Å; F89-M122 CarbonylContact O-C 3.47Å; F89-M122 VanDerWaalsContact O-CA 3.27Å; F89-M122 WeakPolarHBondContact O-CA 3.41Å; I91-M122 HydrophobicContact CD1-SD 4.06Å; H108-M122 WeakPolarHBondContact CD2-CE 3.44Å; H108-M122 WeakPolarHBondContact NE2-CE 3.25Å; I111-M122 HydrophobicContact CB-SD 4.05Å; I111-M122 HydrophobicContact CD1-CG 4.44Å; I111-M122 HydrophobicContact CD1-SD 3.85Å; I111-M122 HydrophobicContact CG2-CG 4.38Å; I111-M122 HydrophobicContact CG2-SD 3.75Å; L112-M122 HydrophobicContact CD2-CE 3.73Å; L112-M122 HydrophobicContact CG-CE 4.22Å; F120-M122 HydrophobicContact CB-CE 4.2Å; F120-M122 WeakPolarHBondContact O-CE 3.47Å; F120-M122 PolarHBondContact O-N 3.24Å; M122-I151 HydrophobicContact CB-CG2 3.9Å; M122-I151 HydrophobicContact CE-CG2 4.36Å
123V98.8Very high96.6Very high0 Ų065.6 Ų65.60%032%0.318CS..EExtended strand (participates in β ladder)trans-130.7130169.9175.80000108.3F89 L90 I91 V125 I154 E171 L172 V175F89-V123 PolarHBondContact O-N 3.34Å; L90-V123 HydrophobicContact CD2-CB 3.82Å; L90-V123 HydrophobicContact CD2-CG1 4.31Å; L90-V123 HydrophobicContact CD2-CG2 4.49Å; I91-V123 PolarHBondContact N-O 3.13Å; V123-V125 HydrophobicContact CG1-CG2 4.12Å; V123-I154 HydrophobicContact CG1-CD1 4.05Å; V123-I154 HydrophobicContact CG1-CG1 4.21Å; V123-E171 HydrophobicContact CG2-CG 4.31Å; V123-L172 HydrophobicContact CG2-CB 4.01Å; V123-L172 HydrophobicContact CG2-CD1 4.13Å; V123-V175 HydrophobicContact CG2-CG2 4.47Å
124L98.9Very high96.8Very high0 Ų060.7 Ų60.70%031%0.307CS..EExtended strand (participates in β ladder)trans-82.7123.3172.4-176.958.9000109.6I91 F93 V104 M145 A146 I151 T152 Y153 I154I91-L124 HydrophobicContact CB-CD1 4.4Å; I91-L124 HydrophobicContact CG2-CD1 4.41Å; F93-L124 HydrophobicContact CD1-CD1 3.83Å; F93-L124 HydrophobicContact CD1-CG 4.41Å; F93-L124 HydrophobicContact CE1-CD1 4Å; F93-L124 HydrophobicContact CE1-CD2 4.37Å; F93-L124 HydrophobicContact CE1-CG 4.1Å; V104-L124 HydrophobicContact CB-CD1 4.41Å; V104-L124 HydrophobicContact CG1-CD1 3.59Å; V104-L124 HydrophobicContact CG2-CD1 3.86Å; L124-M145 HydrophobicContact CD2-CB 4.01Å; L124-M145 HydrophobicContact CD2-CG 3.74Å; L124-A146 HydrophobicContact CB-CB 4.44Å; L124-A146 HydrophobicContact CD2-CB 4.02Å; L124-I151 HydrophobicContact CB-CD1 3.84Å; L124-I151 HydrophobicContact CB-CG1 4.27Å; L124-T152 PolarHBondContact N-O 3.12Å; L124-Y153 HydrophobicContact CB-CD2 4.4Å; L124-Y153 HydrophobicContact CD2-CD2 4Å; L124-Y153 HydrophobicContact CG-CD2 4.07Å; L124-Y153 WeakPolarHBondContact O-CA 3.45Å; L124-I154 PolarHBondContact O-N 3.29Å
125V98.9Very high97.1Very high0 Ų062.3 Ų62.30%031%0.308CS..EExtended strand (participates in β ladder)trans-117.4115.6-175.8-178.40000110.2L30 L90 I91 V92 F93 V123 I154 T156 A168L30-V125 HydrophobicContact CD1-CG1 4.01Å; L90-V125 HydrophobicContact CB-CG2 4.29Å; L90-V125 HydrophobicContact CD2-CG2 3.96Å; I91-V125 PolarHBondContact O-N 3.25Å; V92-V125 WeakPolarHBondContact CA-O 3.4Å; V92-V125 HydrophobicContact CG1-CG1 4.38Å; V92-V125 HydrophobicContact CG2-CB 4.15Å; V92-V125 HydrophobicContact CG2-CG1 4.48Å; F93-V125 WeakPolarHBondContact CD1-O 3.4Å; F93-V125 PolarHBondContact N-O 2.95Å; V123-V125 HydrophobicContact CG1-CG2 4.12Å; V125-I154 WeakPolarHBondContact CA-O 3.27Å; V125-T156 HydrophobicContact CG1-CG2 3.71Å; V125-T156 VanDerWaalsContact CG1-OG1 3.27Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.25Å; V125-A168 HydrophobicContact CG2-CB 4.25Å
126A98.8Very high97.3Very high0 Ų067.2 Ų67.20%033%0.33CS..EExtended strand (participates in β ladder)trans-94.498.417400000110F93 V95 Y153 I154 E155 T156F93-A126 HydrophobicContact CD1-CB 4.45Å; F93-A126 HydrophobicContact CE1-CB 3.59Å; F93-A126 HydrophobicContact CE2-CB 4.14Å; F93-A126 HydrophobicContact CZ-CB 3.41Å; F93-A126 VanDerWaalsContact CZ-CB 3.41Å; V95-A126 HydrophobicContact CG1-CB 3.77Å; A126-Y153 HydrophobicContact CB-CE2 3.57Å; A126-Y153 VanDerWaalsContact CB-OH 3.23Å; A126-Y153 WeakPolarHBondContact CB-OH 3.29Å; A126-I154 PolarHBondContact N-O 3.03Å; A126-E155 HydrophobicContact CB-CG 4.04Å; A126-E155 CarbonylContact O-C 2.96Å; A126-E155 WeakPolarHBondContact O-CA 3.4Å; A126-T156 PolarHBondContact O-N 3.26Å
127N98.8Very high97.5Very high3 Ų360.6 Ų60.62%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-89.6164.8-176.3-166.527000112.5V25 L30 V92 F93 V95 T156V25-N127 PolarHBondContact O-ND2 3.37Å; L30-N127 HydrophobicContact CD1-CB 4.21Å; V92-N127 HydrophobicContact CG1-CB 3.94Å; F93-N127 PolarHBondContact O-N 3.4Å; V95-N127 PolarHBondContact N-O 3.5Å; N127-T156 CarbonylContact C-O 3.57Å; N127-T156 WeakPolarHBondContact CA-O 3.39Å; N127-T156 WeakPolarHBondContact CA-OG1 3.37Å; N127-T156 PolarHBondContact OD1-O 3.19Å; N127-T156 PolarHBondContact OD1-OG1 3.34Å
128K98.2Very high97.8Very high57 Ų5755.8 Ų55.825%0.24828%0.284CS..  trans67.231.6176.9-43.4-165.5-166.4-177.50114.7G24 V25 S94 V95 D130 L131 T156G24-K128 WeakPolarHBondContact O-CE 3.18Å; G24-K128 PolarHBondContact O-NZ 2.89Å; V25-K128 WeakPolarHBondContact O-CE 3.49Å; S94-K128 WeakPolarHBondContact OG-CD 3.38Å; V95-K128 WeakPolarHBondContact CG2-O 3.18Å; K128-D130 WeakPolarHBondContact CA-OD1 3.33Å; K128-D130 PolarHBondContact O-N 3.45Å; K128-L131 HydrophobicContact CB-CD1 4.06Å; K128-L131 HydrophobicContact CB-CG 4.35Å; K128-L131 HydrophobicContact CD-CD1 4.13Å; K128-L131 WeakPolarHBondContact O-CB 3.28Å; K128-L131 PolarHBondContact O-N 3.2Å; K128-T156 PolarHBondContact N-O 3.32Å; K128-T156 VanDerWaalsContact N-O 3.09Å
129V98.6Very high98Very high16 Ų1648.2 Ų48.210%0.09725%0.252CS..THydrogen-bonded Turntrans-66.8-13.6177.7-59.70000114.2V95 L131 E155 T156 M163V95-V129 HydrophobicContact CG1-CG1 3.81Å; V95-V129 HydrophobicContact CG2-CG1 4.15Å; V129-L131 PolarHBondContact O-N 3.46Å; V129-E155 HydrophobicContact CG1-CB 3.83Å; V129-E155 HydrophobicContact CG1-CG 3.93Å; V129-E155 HydrophobicContact CG2-CB 4.49Å; V129-T156 VanDerWaalsContact CG2-O 3.25Å; V129-T156 WeakPolarHBondContact CG2-O 3.34Å; V129-T156 PolarHBondContact N-O 2.94Å; V129-M163 HydrophobicContact CB-CE 4.49Å; V129-M163 HydrophobicContact CG2-CE 3.24Å; V129-M163 HydrophobicContact CG2-SD 4.21Å
130D98.1Very high98.2Very high60 Ų6050 Ų5032%0.32125%0.253SS..THydrogen-bonded Turntrans-64.2-23.3168.459.5-74.4000112.8K128 V132 S157 K159K128-D130 WeakPolarHBondContact CA-OD1 3.33Å; K128-D130 PolarHBondContact O-N 3.45Å; D130-V132 PolarHBondContact O-N 3.32Å; D130-S157 WeakPolarHBondContact OD1-CB 3.21Å; D130-S157 PolarHBondContact OD1-OG 3.04Å; D130-K159 WeakPolarHBondContact OD2-CD 3.28Å
131L97Very high98.3Very high58 Ų5851.7 Ų51.730%0.30426%0.261SS..  trans-85.656178.7-58.1-178.8000111.7T96 K128 V129 H133 L134 R135T96-L131 HydrophobicContact CG2-CB 3.68Å; T96-L131 HydrophobicContact CG2-CD1 3.86Å; T96-L131 HydrophobicContact CG2-CG 4.4Å; K128-L131 HydrophobicContact CB-CD1 4.06Å; K128-L131 HydrophobicContact CB-CG 4.35Å; K128-L131 HydrophobicContact CD-CD1 4.13Å; K128-L131 WeakPolarHBondContact O-CB 3.28Å; K128-L131 PolarHBondContact O-N 3.2Å; V129-L131 PolarHBondContact O-N 3.46Å; L131-H133 VanDerWaalsContact C-N 3.28Å; L131-H133 PolarHBondContact O-N 3.47Å; L131-L134 HydrophobicContact CB-CB 4.29Å; L131-L134 HydrophobicContact CD1-CD1 4.45Å; L131-L134 CarbonylContact O-C 3.6Å; L131-L134 PolarHBondContact O-N 3.37Å; L131-R135 PolarHBondContact O-N 3.35Å
132V96.8Very high98.3Very high100 Ų10051.5 Ų51.561%0.60626%0.26SS*.G310 helixtrans-52.1-43.7-173.2-177.70000112.6D130 L134 R135D130-V132 PolarHBondContact O-N 3.32Å; V132-L134 VanDerWaalsContact C-N 3.26Å; V132-L134 PolarHBondContact O-N 3.09Å; V132-R135 VanDerWaalsContact O-CB 3.25Å; V132-R135 WeakPolarHBondContact O-CB 3.45Å; V132-R135 PolarHBondContact O-N 2.84Å
133H97.5Very high98.3Very high188 Ų18856.3 Ų56.387%0.8728%0.282SS*.G310 helixtrans-71.2-17.9-178.8-60.7-59.3000114.5L131L131-H133 VanDerWaalsContact C-N 3.28Å; L131-H133 PolarHBondContact O-N 3.47Å
134L97.8Very high98.3Very high108 Ų10862.9 Ų62.957%0.56531%0.313SS*.G310 helixtrans-103.22.1178.3-60.2177.7000112T96 L131 V132 K136T96-L134 WeakPolarHBondContact CA-O 3.05Å; T96-L134 WeakPolarHBondContact CB-O 3.33Å; T96-L134 HydrophobicContact CG2-CB 3.74Å; L131-L134 HydrophobicContact CB-CB 4.29Å; L131-L134 HydrophobicContact CD1-CD1 4.45Å; L131-L134 CarbonylContact O-C 3.6Å; L131-L134 PolarHBondContact O-N 3.37Å; V132-L134 VanDerWaalsContact C-N 3.26Å; V132-L134 PolarHBondContact O-N 3.09Å; L134-K136 PolarHBondContact O-N 2.83Å
135R98.5Very high98.3Very high79 Ų7963.8 Ų63.830%0.29832%0.317SS..  trans-63.6123.3-177.8-173.6168.1-173.6151.511.3110.4V95 L131 V132 I137 E155V95-R135 HydrophobicContact CB-CG 4.19Å; V95-R135 HydrophobicContact CG2-CG 4.2Å; L131-R135 PolarHBondContact O-N 3.35Å; V132-R135 VanDerWaalsContact O-CB 3.25Å; V132-R135 WeakPolarHBondContact O-CB 3.45Å; V132-R135 PolarHBondContact O-N 2.84Å; R135-I137 WeakPolarHBondContact CG-O 3.42Å; R135-I137 PolarHBondContact NE-O 2.89Å; R135-I137 PolarHBondContact NH2-O 2.89Å; R135-E155 IonicContact CZ-OE1 3.68Å; R135-E155 IonicContact NH1-OE1 3.95Å; R135-E155 PolarHBondContact NH1-OE1 3.29Å; R135-E155 IonicContact NH1-OE2 3.64Å; R135-E155 IonicContact NH2-OE1 2.68Å; R135-E155 PolarHBondContact NH2-OE1 2.99Å
136K98.4Very high98.3Very high134 Ų13463.9 Ų63.958%0.58332%0.319SS*.  trans-109.4-21.3176.4-61.3-176.7-172.1161.90113V95 T96 L134V95-K136 PolarHBondContact O-N 2.97Å; T96-K136 VanDerWaalsContact O-CD 3.23Å; T96-K136 WeakPolarHBondContact O-CD 3.42Å; T96-K136 WeakPolarHBondContact O-CE 3.45Å; T96-K136 PolarHBondContact O-NZ 2.9Å; L134-K136 PolarHBondContact O-N 2.83Å
137I98.6Very high98.3Very high1 Ų167.5 Ų67.51%0.00535%0.348CS..SBendtrans-115.5120.9-179.1-53.6-58.6000109.5F93 V95 K98 F101 R135 Q141F93-I137 HydrophobicContact CE2-CB 4.08Å; F93-I137 HydrophobicContact CE2-CG1 4.2Å; F93-I137 HydrophobicContact CE2-CG2 3.87Å; F93-I137 HydrophobicContact CZ-CG2 4.19Å; V95-I137 PolarHBondContact O-N 2.8Å; V95-I137 VanDerWaalsContact O-N 3.12Å; K98-I137 HydrophobicContact CB-CD1 4.21Å; K98-I137 HydrophobicContact CG-CD1 3.93Å; F101-I137 HydrophobicContact CB-CD1 3.89Å; F101-I137 HydrophobicContact CB-CG1 3.85Å; F101-I137 HydrophobicContact CD1-CD1 3.66Å; F101-I137 HydrophobicContact CD1-CG1 4.31Å; F101-I137 HydrophobicContact CD1-CG2 4.32Å; F101-I137 HydrophobicContact CD2-CG2 3.93Å; F101-I137 HydrophobicContact CE1-CD1 4.38Å; F101-I137 HydrophobicContact CE1-CG2 4.41Å; F101-I137 HydrophobicContact CE2-CG2 4.04Å; F101-I137 HydrophobicContact CG-CD1 3.86Å; F101-I137 HydrophobicContact CG-CG1 4.01Å; F101-I137 HydrophobicContact CG-CG2 4.06Å; F101-I137 HydrophobicContact CZ-CG2 4.27Å; R135-I137 WeakPolarHBondContact CG-O 3.42Å; R135-I137 PolarHBondContact NE-O 2.89Å; R135-I137 PolarHBondContact NH2-O 2.89Å; I137-Q141 HydrophobicContact CG2-CB 3.94Å
138T98.6Very high98.3Very high67 Ų6773.5 Ų73.541%0.41137%0.374SS..  trans-74.1166.9179.1700000111.9D140 Q141 G142T138-D140 VanDerWaalsContact C-N 3.31Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.48Å; T138-Q141 PolarHBondContact OG1-N 2.58Å; T138-Q141 PolarHBondContact OG1-OE1 3.22Å; T138-G142 PolarHBondContact O-N 3.3Å
139S98.4Very high98.3Very high35 Ų3572.1 Ų72.125%0.24537%0.368CS..Hα-helixtrans-65.5-41.4177.7-153.30000110.3Q141 G142 Q143 E155S139-Q141 PolarHBondContact O-N 2.94Å; S139-G142 WeakPolarHBondContact O-CA 3.45Å; S139-G142 PolarHBondContact O-N 2.91Å; S139-Q143 WeakPolarHBondContact O-CG 3.25Å; S139-Q143 PolarHBondContact O-N 3.1Å; S139-E155 WeakPolarHBondContact CA-OE1 3.36Å; S139-E155 VanDerWaalsContact CB-OE1 3.22Å; S139-E155 WeakPolarHBondContact CB-OE1 3.35Å; S139-E155 PolarHBondContact OG-OE1 2.97Å
140D98.7Very high98.2Very high102 Ų10278.4 Ų78.455%0.54540%0.401SS..Hα-helixtrans-59.2-44.4178.9-57.7-15.7000111.6T138 G142 Q143 E144T138-D140 VanDerWaalsContact C-N 3.31Å; D140-G142 VanDerWaalsContact C-N 3.29Å; D140-G142 PolarHBondContact O-N 2.87Å; D140-Q143 PolarHBondContact O-N 3.36Å; D140-E144 WeakPolarHBondContact O-CB 3.28Å; D140-E144 WeakPolarHBondContact O-CG 3.48Å; D140-E144 PolarHBondContact O-N 2.88Å
141Q98.6Very high98.2Very high70 Ų7076.7 Ų76.733%0.32739%0.392SS..Hα-helixtrans-59.8-40.2174.9-72.9176.2-56.100112.3F101 I137 T138 S139 M145F101-Q141 HydrophobicContact CZ-CB 4.2Å; F101-Q141 WeakPolarHBondContact CZ-O 3.25Å; I137-Q141 HydrophobicContact CG2-CB 3.94Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.48Å; T138-Q141 PolarHBondContact OG1-N 2.58Å; T138-Q141 PolarHBondContact OG1-OE1 3.22Å; S139-Q141 PolarHBondContact O-N 2.94Å; Q141-M145 WeakPolarHBondContact O-CB 3.26Å; Q141-M145 PolarHBondContact O-N 3.42Å
142G98.6Very high98.3Very high0 Ų076.3 Ų76.30%039%0.393CS..Hα-helixtrans-65.2-42.5175.400000112.8T138 S139 D140 M145 A146T138-G142 PolarHBondContact O-N 3.3Å; S139-G142 WeakPolarHBondContact O-CA 3.45Å; S139-G142 PolarHBondContact O-N 2.91Å; D140-G142 VanDerWaalsContact C-N 3.29Å; D140-G142 PolarHBondContact O-N 2.87Å; G142-M145 PolarHBondContact O-N 2.93Å; G142-A146 WeakPolarHBondContact O-CB 3.41Å; G142-A146 PolarHBondContact O-N 3.32Å
143Q98.7Very high98.4Very high104 Ų10473.4 Ų73.449%0.48637%0.371SS..Hα-helixtrans-66.1-42.2176.4-69.2178.421.400111.9S139 D140 M145 A146 A147 Y153S139-Q143 WeakPolarHBondContact O-CG 3.25Å; S139-Q143 PolarHBondContact O-N 3.1Å; D140-Q143 PolarHBondContact O-N 3.36Å; Q143-M145 PolarHBondContact O-N 2.83Å; Q143-A146 PolarHBondContact O-N 2.94Å; Q143-A147 WeakPolarHBondContact O-CB 3.35Å; Q143-A147 PolarHBondContact O-N 3.09Å; Q143-Y153 HydrophobicContact CG-CD1 3.61Å; Q143-Y153 HydrophobicContact CG-CE1 4Å; Q143-Y153 HydrophobicContact CG-CG 4.33Å
144E98.8Very high98.4Very high138 Ų13864.9 Ų64.965%0.64533%0.331SS*.Hα-helixtrans-60.8-43.5174.6-75.6176.1-176.900111.5D140 A146 A147 K148D140-E144 WeakPolarHBondContact O-CB 3.28Å; D140-E144 WeakPolarHBondContact O-CG 3.48Å; D140-E144 PolarHBondContact O-N 2.88Å; E144-A146 PolarHBondContact O-N 3.24Å; E144-A147 PolarHBondContact O-N 2.92Å; E144-K148 WeakPolarHBondContact O-CB 3.41Å; E144-K148 PolarHBondContact O-N 3.42Å
145M98.6Very high98.5Very high19 Ų1961.5 Ų61.59%0.09431%0.313CS..Hα-helixtrans-62-43.4175.6179.891.8-57.400111.8F101 V104 L124 Q141 G142 Q143 K148 H149F101-M145 HydrophobicContact CE2-CB 3.72Å; F101-M145 HydrophobicContact CE2-CG 3.9Å; F101-M145 HydrophobicContact CE2-SD 4.26Å; F101-M145 HydrophobicContact CZ-CB 3.78Å; F101-M145 HydrophobicContact CZ-CG 4.2Å; F101-M145 HydrophobicContact CZ-SD 4.2Å; V104-M145 HydrophobicContact CB-SD 4.21Å; V104-M145 HydrophobicContact CG1-CG 3.97Å; V104-M145 HydrophobicContact CG1-SD 4.08Å; L124-M145 HydrophobicContact CD2-CB 4.01Å; L124-M145 HydrophobicContact CD2-CG 3.74Å; Q141-M145 WeakPolarHBondContact O-CB 3.26Å; Q141-M145 PolarHBondContact O-N 3.42Å; G142-M145 PolarHBondContact O-N 2.93Å; Q143-M145 PolarHBondContact O-N 2.83Å; M145-K148 HydrophobicContact CE-CB 4.48Å; M145-K148 HydrophobicContact CE-CD 3.41Å; M145-K148 VanDerWaalsContact CE-CD 3.41Å; M145-K148 WeakPolarHBondContact O-CB 3.31Å; M145-K148 PolarHBondContact O-N 3.39Å; M145-H149 PolarHBondContact O-CD2 3.17Å; M145-H149 VanDerWaalsContact O-CD2 3.24Å; M145-H149 PolarHBondContact O-N 2.85Å
146A98.6Very high98.5Very high3 Ų357.7 Ų57.73%0.02530%0.299CS..Hα-helixtrans-66.4-40177.300000112.1L124 G142 Q143 E144 H149 N150 I151 Y153L124-A146 HydrophobicContact CB-CB 4.44Å; L124-A146 HydrophobicContact CD2-CB 4.02Å; G142-A146 WeakPolarHBondContact O-CB 3.41Å; G142-A146 PolarHBondContact O-N 3.32Å; Q143-A146 PolarHBondContact O-N 2.94Å; E144-A146 PolarHBondContact O-N 3.24Å; A146-H149 CarbonylContact O-C 3.56Å; A146-H149 PolarHBondContact O-N 2.82Å; A146-N150 PolarHBondContact O-N 2.76Å; A146-I151 HydrophobicContact CB-CG1 4.3Å; A146-I151 WeakPolarHBondContact CB-O 3.26Å; A146-I151 PolarHBondContact O-N 3.32Å; A146-Y153 HydrophobicContact CB-CG 4.47Å
147A98.5Very high98.5Very high75 Ų7551.6 Ų51.662%0.6227%0.272SS*.Hα-helixtrans-64.5-41.9175.800000112Q143 E144 H149 N150Q143-A147 WeakPolarHBondContact O-CB 3.35Å; Q143-A147 PolarHBondContact O-N 3.09Å; E144-A147 PolarHBondContact O-N 2.92Å; A147-H149 PolarHBondContact O-N 2.88Å; A147-N150 PolarHBondContact O-N 2.79Å; A147-N150 VanDerWaalsContact O-N 3.12Å
148K98.2Very high98.4Very high130 Ų13051.7 Ų51.757%0.56527%0.273SS*.Hα-helixtrans-54.3-39173.9-178.2-162178.8-1720111.9D105 E144 M145D105-K148 IonicContact OD1-NZ 2.86Å; D105-K148 PolarHBondContact OD1-NZ 3.36Å; D105-K148 IonicContact OD2-NZ 3.57Å; D105-K148 PolarHBondContact OD2-NZ 3.34Å; E144-K148 WeakPolarHBondContact O-CB 3.41Å; E144-K148 PolarHBondContact O-N 3.42Å; M145-K148 HydrophobicContact CE-CB 4.48Å; M145-K148 HydrophobicContact CE-CD 3.41Å; M145-K148 VanDerWaalsContact CE-CD 3.41Å; M145-K148 WeakPolarHBondContact O-CB 3.31Å; M145-K148 PolarHBondContact O-N 3.39Å
149H98Very high98.3Very high27 Ų2753.3 Ų53.313%0.12528%0.275CS..Hα-helixtrans-95.5-2.4-179.1-67.1-50.4000114.2D105 H108 M145 A146 A147 I151D105-H149 IonicContact OD1-CD2 2.8Å; D105-H149 IonicContact OD1-CE1 3.75Å; D105-H149 PolarHBondContact OD1-CE1 2.72Å; D105-H149 IonicContact OD1-NE2 3.73Å; D105-H149 PolarHBondContact OD1-NE2 3.12Å; H108-H149 AromaticContact CD2-CG 3.92Å; H108-H149 AromaticContact CE1-CG 3.81Å; H108-H149 AromaticContact CE1-ND1 3.28Å; H108-H149 PolarHBondContact CE1-ND1 3.21Å; H108-H149 VanDerWaalsContact CE1-ND1 3.28Å; H108-H149 AromaticContact CG-CE1 3.98Å; H108-H149 AromaticContact CG-CG 3.85Å; H108-H149 AromaticContact CG-ND1 3.67Å; H108-H149 AromaticContact ND1-CE1 3.58Å; H108-H149 AromaticContact ND1-CG 3.8Å; H108-H149 AromaticContact ND1-ND1 3.16Å; H108-H149 PolarHBondContact ND1-ND1 2.86Å; H108-H149 VanDerWaalsContact ND1-ND1 3.16Å; H108-H149 AromaticContact NE2-CG 3.92Å; H108-H149 AromaticContact NE2-ND1 3.87Å; M145-H149 PolarHBondContact O-CD2 3.17Å; M145-H149 VanDerWaalsContact O-CD2 3.24Å; M145-H149 PolarHBondContact O-N 2.85Å; A146-H149 CarbonylContact O-C 3.56Å; A146-H149 PolarHBondContact O-N 2.82Å; A147-H149 PolarHBondContact O-N 2.88Å; H149-I151 VanDerWaalsContact C-N 3.34Å; H149-I151 HydrophobicContact CB-CD1 4.09Å; H149-I151 HydrophobicContact CB-CG1 4.02Å; H149-I151 HydrophobicContact CB-CG2 4.44Å; H149-I151 PolarHBondContact O-N 3.31Å
150N97.3Very high98Very high148 Ų14855.7 Ų55.779%0.79129%0.285SS*.THydrogen-bonded Turntrans53.746.7-174.9-168.244.7000113.2A146 A147A146-N150 PolarHBondContact O-N 2.76Å; A147-N150 PolarHBondContact O-N 2.79Å; A147-N150 VanDerWaalsContact O-N 3.12Å
151I98.3Very high97.9Very high24 Ų2456.5 Ų56.512%0.12330%0.296CS..  trans-125161.717862.8179.7000111.1M122 L124 A146 H149M122-I151 HydrophobicContact CB-CG2 3.9Å; M122-I151 HydrophobicContact CE-CG2 4.36Å; L124-I151 HydrophobicContact CB-CD1 3.84Å; L124-I151 HydrophobicContact CB-CG1 4.27Å; A146-I151 HydrophobicContact CB-CG1 4.3Å; A146-I151 WeakPolarHBondContact CB-O 3.26Å; A146-I151 PolarHBondContact O-N 3.32Å; H149-I151 VanDerWaalsContact C-N 3.34Å; H149-I151 HydrophobicContact CB-CD1 4.09Å; H149-I151 HydrophobicContact CB-CG1 4.02Å; H149-I151 HydrophobicContact CB-CG2 4.44Å; H149-I151 PolarHBondContact O-N 3.31Å
152T98.3Very high97.8Very high51 Ų5156.1 Ų56.131%0.31330%0.299SS..EExtended strand (participates in β ladder)trans-74.3140178.7-53.60000111.3L124 I154 E171L124-T152 PolarHBondContact N-O 3.12Å; T152-I154 HydrophobicContact CG2-CD1 4.5Å; T152-I154 HydrophobicContact CG2-CG1 4.24Å; T152-E171 HydrophobicContact CG2-CG 3.98Å
153Y98.8Very high97.8Very high39 Ų3959.3 Ų59.315%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-104.1131.9173.1179.7-113.1000111.8F93 L124 A126 Q143 A146 E155F93-Y153 HydrophobicContact CE1-CE2 4.24Å; F93-Y153 HydrophobicContact CZ-CE2 4.35Å; L124-Y153 HydrophobicContact CB-CD2 4.4Å; L124-Y153 HydrophobicContact CD2-CD2 4Å; L124-Y153 HydrophobicContact CG-CD2 4.07Å; L124-Y153 WeakPolarHBondContact O-CA 3.45Å; A126-Y153 HydrophobicContact CB-CE2 3.57Å; A126-Y153 VanDerWaalsContact CB-OH 3.23Å; A126-Y153 WeakPolarHBondContact CB-OH 3.29Å; Q143-Y153 HydrophobicContact CG-CD1 3.61Å; Q143-Y153 HydrophobicContact CG-CE1 4Å; Q143-Y153 HydrophobicContact CG-CG 4.33Å; A146-Y153 HydrophobicContact CB-CG 4.47Å; Y153-E155 HydrophobicContact CE1-CG 3.71Å; Y153-E155 VanDerWaalsContact OH-CG 3.28Å; Y153-E155 WeakPolarHBondContact OH-CG 3.44Å; Y153-E155 PolarHBondContact OH-OE1 3.18Å
154I98.9Very high97.8Very high8 Ų857.4 Ų57.44%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-137125174.5-62-179.9000110.2V123 L124 V125 A126 T152 T156 N164 K167 A168 E171V123-I154 HydrophobicContact CG1-CD1 4.05Å; V123-I154 HydrophobicContact CG1-CG1 4.21Å; L124-I154 PolarHBondContact O-N 3.29Å; V125-I154 WeakPolarHBondContact CA-O 3.27Å; A126-I154 PolarHBondContact N-O 3.03Å; T152-I154 HydrophobicContact CG2-CD1 4.5Å; T152-I154 HydrophobicContact CG2-CG1 4.24Å; I154-T156 HydrophobicContact CG2-CG2 3.85Å; I154-N164 HydrophobicContact CG2-CB 3.84Å; I154-K167 HydrophobicContact CD1-CG 4.26Å; I154-A168 HydrophobicContact CD1-CB 4.45Å; I154-A168 HydrophobicContact CG2-CB 4.37Å; I154-E171 HydrophobicContact CD1-CB 3.73Å; I154-E171 HydrophobicContact CD1-CG 3.95Å
155E98.9Very high97.8Very high37 Ų3751 Ų5117%0.17328%0.279CS..EExtended strand (participates in β ladder)trans-81.2134.3166.3-73.8-169.9178.400111A126 V129 R135 S139 Y153 M163 N164A126-E155 HydrophobicContact CB-CG 4.04Å; A126-E155 CarbonylContact O-C 2.96Å; A126-E155 WeakPolarHBondContact O-CA 3.4Å; V129-E155 HydrophobicContact CG1-CB 3.83Å; V129-E155 HydrophobicContact CG1-CG 3.93Å; V129-E155 HydrophobicContact CG2-CB 4.49Å; R135-E155 IonicContact CZ-OE1 3.68Å; R135-E155 IonicContact NH1-OE1 3.95Å; R135-E155 PolarHBondContact NH1-OE1 3.29Å; R135-E155 IonicContact NH1-OE2 3.64Å; R135-E155 IonicContact NH2-OE1 2.68Å; R135-E155 PolarHBondContact NH2-OE1 2.99Å; S139-E155 WeakPolarHBondContact CA-OE1 3.36Å; S139-E155 VanDerWaalsContact CB-OE1 3.22Å; S139-E155 WeakPolarHBondContact CB-OE1 3.35Å; S139-E155 PolarHBondContact OG-OE1 2.97Å; Y153-E155 HydrophobicContact CE1-CG 3.71Å; Y153-E155 VanDerWaalsContact OH-CG 3.28Å; Y153-E155 WeakPolarHBondContact OH-CG 3.44Å; Y153-E155 PolarHBondContact OH-OE1 3.18Å; E155-M163 HydrophobicContact CB-CE 3.89Å; E155-M163 VanDerWaalsContact O-CE 3.32Å; E155-M163 WeakPolarHBondContact O-CE 3.44Å; E155-N164 VanDerWaalsContact O-CB 3.23Å; E155-N164 WeakPolarHBondContact O-CB 3.04Å; E155-N164 PolarHBondContact O-ND2 3.24Å
156T98.8Very high97.7Very high0 Ų053 Ų530%029%0.29CS..  trans-133.3156.5-178.460.20000112.6V125 A126 N127 K128 V129 I154 M163 N164 A168V125-T156 HydrophobicContact CG1-CG2 3.71Å; V125-T156 VanDerWaalsContact CG1-OG1 3.27Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.25Å; A126-T156 PolarHBondContact O-N 3.26Å; N127-T156 CarbonylContact C-O 3.57Å; N127-T156 WeakPolarHBondContact CA-O 3.39Å; N127-T156 WeakPolarHBondContact CA-OG1 3.37Å; N127-T156 PolarHBondContact OD1-O 3.19Å; N127-T156 PolarHBondContact OD1-OG1 3.34Å; K128-T156 PolarHBondContact N-O 3.32Å; K128-T156 VanDerWaalsContact N-O 3.09Å; V129-T156 VanDerWaalsContact CG2-O 3.25Å; V129-T156 WeakPolarHBondContact CG2-O 3.34Å; V129-T156 PolarHBondContact N-O 2.94Å; I154-T156 HydrophobicContact CG2-CG2 3.85Å; T156-M163 VanDerWaalsContact CA-O 3.28Å; T156-M163 WeakPolarHBondContact CA-O 3.38Å; T156-N164 HydrophobicContact CG2-CB 4.06Å; T156-A168 HydrophobicContact CG2-CB 4.14Å
157S98.4Very high97.7Very high5 Ų558 Ų584%0.03531%0.311CS..BIsolated β-bridgetrans-133.9125.5160179.90000108.5D130 K159 P162 M163 V165D130-S157 WeakPolarHBondContact OD1-CB 3.21Å; D130-S157 PolarHBondContact OD1-OG 3.04Å; S157-K159 VanDerWaalsContact C-N 3.3Å; S157-K159 WeakPolarHBondContact OG-CB 2.81Å; S157-K159 PolarHBondContact OG-N 2.97Å; S157-P162 WeakPolarHBondContact O-CA 3.39Å; S157-M163 PolarHBondContact N-O 3.21Å; S157-M163 PolarHBondContact O-N 3.45Å; S157-V165 WeakPolarHBondContact O-CG2 3.26Å
158A97.1Very high97.7Very high3 Ų354.6 Ų54.63%0.02528%0.282CS..  trans-77.2-18.7170.700000112.6A29 L30 Q33 F39A29-A158 HydrophobicContact CB-CB 3.75Å; L30-A158 HydrophobicContact CD2-CB 3.99Å; L30-A158 HydrophobicContact CG-CB 4.3Å; Q33-A158 PolarHBondContact NE2-O 3.44Å; F39-A158 HydrophobicContact CD2-CB 4.26Å; F39-A158 VanDerWaalsContact CD2-O 3.28Å; F39-A158 WeakPolarHBondContact CD2-O 3.41Å; F39-A158 HydrophobicContact CE2-CB 4.39Å
159K96.1Very high97.7Very high101 Ų10148.4 Ų48.444%0.43926%0.256SS..SBendtrans-68.4144.1-178.2-173.7-178.7178.3-179.20110.2F39 D130 S157 P161 P162F39-K159 HydrophobicContact CE1-CG 4.42Å; F39-K159 HydrophobicContact CE2-CB 4.46Å; D130-K159 WeakPolarHBondContact OD2-CD 3.28Å; S157-K159 VanDerWaalsContact C-N 3.3Å; S157-K159 WeakPolarHBondContact OG-CB 2.81Å; S157-K159 PolarHBondContact OG-N 2.97Å; K159-P161 CarbonylContact O-C 3.58Å; K159-P162 VanDerWaalsContact O-CA 3.26Å; K159-P162 WeakPolarHBondContact O-CA 3.37Å
160D92Very high97.7Very high85 Ų8548.7 Ų48.746%0.45526%0.257SS..SBendtrans-72.8132.5175.8-67.1-46000111.9Q33 F39Q33-D160 PolarHBondContact NE2-OD1 2.98Å; F39-D160 VanDerWaalsContact CB-OD2 3.28Å; F39-D160 WeakPolarHBondContact CB-OD2 3.34Å; F39-D160 PolarHBondContact N-OD2 3.19Å
161P95.8Very high97.8Very high119 Ų11943.5 Ų43.577%0.77323%0.228SC*.SBendcis-74.3134.1-4.830.7-33.9000112.6K159K159-P161 CarbonylContact O-C 3.58Å
162P97.2Very high97.8Very high62 Ų6242.3 Ų42.340%0.40322%0.222SC..PPolyproline II helixtrans-70.5147.3-172.428.8-34.7000112.1Q33 S157 K159 V165Q33-P162 HydrophobicContact CG-CB 3.8Å; Q33-P162 HydrophobicContact CG-CG 4.35Å; S157-P162 WeakPolarHBondContact O-CA 3.39Å; K159-P162 VanDerWaalsContact O-CA 3.26Å; K159-P162 WeakPolarHBondContact O-CA 3.37Å; P162-V165 HydrophobicContact CB-CG2 3.96Å
163M98.6Very high97.8Very high68 Ų6839.9 Ų39.934%0.33521%0.207SC..BIsolated β-bridgetrans-119.1125.4177.4-167-175.786.300110.9V129 E155 T156 S157 V165V129-M163 HydrophobicContact CB-CE 4.49Å; V129-M163 HydrophobicContact CG2-CE 3.24Å; V129-M163 HydrophobicContact CG2-SD 4.21Å; E155-M163 HydrophobicContact CB-CE 3.89Å; E155-M163 VanDerWaalsContact O-CE 3.32Å; E155-M163 WeakPolarHBondContact O-CE 3.44Å; T156-M163 VanDerWaalsContact CA-O 3.28Å; T156-M163 WeakPolarHBondContact CA-O 3.38Å; S157-M163 PolarHBondContact N-O 3.21Å; S157-M163 PolarHBondContact O-N 3.45Å; M163-V165 PolarHBondContact O-N 2.98Å
164N98.5Very high97.7Very high63 Ų6341.3 Ų41.334%0.33721%0.212SC..SBendtrans55.512.9172.4-66.6-36.5000116.9I154 E155 T156 K167 A168I154-N164 HydrophobicContact CG2-CB 3.84Å; E155-N164 VanDerWaalsContact O-CB 3.23Å; E155-N164 WeakPolarHBondContact O-CB 3.04Å; E155-N164 PolarHBondContact O-ND2 3.24Å; T156-N164 HydrophobicContact CG2-CB 4.06Å; N164-K167 HydrophobicContact CB-CB 4.21Å; N164-K167 HydrophobicContact CB-CD 4.45Å; N164-K167 WeakPolarHBondContact O-CB 3.24Å; N164-K167 PolarHBondContact O-N 2.86Å; N164-A168 PolarHBondContact O-N 2.68Å
165V98.2Very high97.7Very high5 Ų541.9 Ų41.93%0.0322%0.215CC..Hα-helixtrans-57.8-56.8179.8-179.50000110.8L30 Q33 F34 S157 P162 M163 K167 A168 F169L30-V165 HydrophobicContact CD2-CG1 4.38Å; L30-V165 HydrophobicContact CD2-CG2 3.86Å; L30-V165 WeakPolarHBondContact O-CG1 3.28Å; Q33-V165 HydrophobicContact CB-CG1 4.29Å; Q33-V165 HydrophobicContact CG-CB 4.42Å; Q33-V165 HydrophobicContact CG-CG1 4.21Å; Q33-V165 HydrophobicContact CG-CG2 3.99Å; F34-V165 HydrophobicContact CB-CG1 3.85Å; S157-V165 WeakPolarHBondContact O-CG2 3.26Å; P162-V165 HydrophobicContact CB-CG2 3.96Å; M163-V165 PolarHBondContact O-N 2.98Å; V165-K167 VanDerWaalsContact C-N 3.25Å; V165-K167 PolarHBondContact O-N 3.41Å; V165-A168 PolarHBondContact O-N 3.43Å; V165-A168 VanDerWaalsContact O-N 3.17Å; V165-F169 HydrophobicContact CG1-CD2 4.47Å; V165-F169 HydrophobicContact CG1-CE2 4.26Å; V165-F169 WeakPolarHBondContact O-CD2 3.16Å; V165-F169 PolarHBondContact O-N 3.33Å
166D97.4Very high97.6Very high60 Ų6040.4 Ų40.432%0.32121%0.209SC..Hα-helixtrans-60.4-37.6177.7-70.410.5000112F34 K37 A168 F169 H170F34-D166 HydrophobicContact CD2-CB 4.42Å; F34-D166 VanDerWaalsContact CD2-OD1 3.25Å; F34-D166 WeakPolarHBondContact CD2-OD1 3.1Å; F34-D166 HydrophobicContact CE2-CB 4.34Å; K37-D166 IonicContact NZ-OD1 3.44Å; K37-D166 PolarHBondContact NZ-OD1 3.02Å; K37-D166 IonicContact NZ-OD2 2.71Å; K37-D166 PolarHBondContact NZ-OD2 2.87Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.1Å; D166-F169 PolarHBondContact O-N 3.06Å; D166-H170 WeakPolarHBondContact O-CB 3.35Å; D166-H170 PolarHBondContact O-CD2 3.02Å; D166-H170 PolarHBondContact O-N 2.89Å
167K98.4Very high97.4Very high109 Ų10942.5 Ų42.547%0.47422%0.217SC..Hα-helixtrans-60-42.7178.2-173-175.8176.8-177.10111.3I154 N164 V165 H170 E171I154-K167 HydrophobicContact CD1-CG 4.26Å; N164-K167 HydrophobicContact CB-CB 4.21Å; N164-K167 HydrophobicContact CB-CD 4.45Å; N164-K167 WeakPolarHBondContact O-CB 3.24Å; N164-K167 PolarHBondContact O-N 2.86Å; V165-K167 VanDerWaalsContact C-N 3.25Å; V165-K167 PolarHBondContact O-N 3.41Å; K167-H170 PolarHBondContact O-N 2.97Å; K167-E171 WeakPolarHBondContact O-CB 3.47Å; K167-E171 PolarHBondContact O-N 3.25Å
168A98.7Very high97Very high2 Ų249.5 Ų49.52%0.01725%0.249CC..Hα-helixtrans-62-48.7-179.800000112.4V125 I154 T156 N164 V165 D166 E171 L172V125-A168 HydrophobicContact CG2-CB 4.25Å; I154-A168 HydrophobicContact CD1-CB 4.45Å; I154-A168 HydrophobicContact CG2-CB 4.37Å; T156-A168 HydrophobicContact CG2-CB 4.14Å; N164-A168 PolarHBondContact O-N 2.68Å; V165-A168 PolarHBondContact O-N 3.43Å; V165-A168 VanDerWaalsContact O-N 3.17Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.1Å; A168-E171 PolarHBondContact O-N 2.62Å; A168-L172 PolarHBondContact O-N 3.39Å
169F98.4Very high96.4Very high1 Ų153.9 Ų53.90%0.00427%0.269CS..Hα-helixtrans-67-41.7178.5-72.8-85.3000112.2L17 V19 F34 V66 L90 V165 D166 L172 V173L17-F169 HydrophobicContact CD1-CD1 4.12Å; V19-F169 HydrophobicContact CG2-CE1 4.05Å; V19-F169 HydrophobicContact CG2-CZ 4.24Å; F34-F169 HydrophobicContact CB-CD2 3.78Å; F34-F169 HydrophobicContact CB-CE2 3.62Å; F34-F169 HydrophobicContact CB-CZ 4.28Å; F34-F169 HydrophobicContact CD1-CB 4.36Å; F34-F169 HydrophobicContact CD1-CD1 4.13Å; F34-F169 AromaticContact CD1-CD2 3.94Å; F34-F169 HydrophobicContact CD1-CD2 3.94Å; F34-F169 HydrophobicContact CD1-CE1 4.44Å; F34-F169 HydrophobicContact CD1-CE2 4.27Å; F34-F169 AromaticContact CD1-CG 3.88Å; F34-F169 HydrophobicContact CD1-CG 3.88Å; F34-F169 HydrophobicContact CD2-CB 4.12Å; F34-F169 AromaticContact CD2-CD2 3.7Å; F34-F169 HydrophobicContact CD2-CD2 3.7Å; F34-F169 HydrophobicContact CD2-CE2 4.43Å; F34-F169 HydrophobicContact CD2-CG 4.07Å; F34-F169 HydrophobicContact CE1-CB 4.05Å; F34-F169 HydrophobicContact CE1-CD1 4.28Å; F34-F169 HydrophobicContact CE1-CD2 4.48Å; F34-F169 HydrophobicContact CE1-CG 4.02Å; F34-F169 HydrophobicContact CE2-CB 3.81Å; F34-F169 HydrophobicContact CE2-CD2 4.28Å; F34-F169 HydrophobicContact CE2-CG 4.22Å; F34-F169 HydrophobicContact CG-CB 4.4Å; F34-F169 AromaticContact CG-CD2 3.52Å; F34-F169 HydrophobicContact CG-CD2 3.52Å; F34-F169 AromaticContact CG-CE2 3.87Å; F34-F169 HydrophobicContact CG-CE2 3.87Å; F34-F169 AromaticContact CG-CG 3.91Å; F34-F169 HydrophobicContact CG-CG 3.91Å; F34-F169 HydrophobicContact CZ-CB 3.77Å; F34-F169 HydrophobicContact CZ-CG 4.2Å; V66-F169 HydrophobicContact CG1-CE1 3.74Å; V66-F169 HydrophobicContact CG2-CD1 4.33Å; V66-F169 HydrophobicContact CG2-CE1 4.29Å; L90-F169 HydrophobicContact CD1-CD1 3.71Å; L90-F169 HydrophobicContact CD1-CD2 4.3Å; L90-F169 HydrophobicContact CD1-CE1 3.49Å; L90-F169 VanDerWaalsContact CD1-CE1 3.49Å; L90-F169 HydrophobicContact CD1-CE2 4.11Å; L90-F169 HydrophobicContact CD1-CG 4.11Å; L90-F169 HydrophobicContact CD1-CZ 3.71Å; V165-F169 HydrophobicContact CG1-CD2 4.47Å; V165-F169 HydrophobicContact CG1-CE2 4.26Å; V165-F169 WeakPolarHBondContact O-CD2 3.16Å; V165-F169 PolarHBondContact O-N 3.33Å; D166-F169 PolarHBondContact O-N 3.06Å; F169-L172 PolarHBondContact O-N 3.19Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 3.27Å
170H98.3Very high95.2Very high33 Ų3351.5 Ų51.515%0.15326%0.26CS..Hα-helixtrans-67.5-37.4178.4-66.4179.9000112F34 I57 D166 K167 V173 R174F34-H170 AromaticContact CE2-NE2 3.77Å; F34-H170 AromaticContact CZ-NE2 3.96Å; I57-H170 HydrophobicContact CG2-CB 4.15Å; D166-H170 WeakPolarHBondContact O-CB 3.35Å; D166-H170 PolarHBondContact O-CD2 3.02Å; D166-H170 PolarHBondContact O-N 2.89Å; K167-H170 PolarHBondContact O-N 2.97Å; H170-V173 WeakPolarHBondContact O-CB 3.16Å; H170-V173 PolarHBondContact O-N 3.33Å; H170-R174 WeakPolarHBondContact O-CG 3.44Å; H170-R174 PolarHBondContact O-N 3.26Å
171E98.6Very high93.7Very high38 Ų3851.3 Ų51.318%0.17826%0.264CS..Hα-helixtrans-63.2-42.5177.2-170.860.9-160.600111.8V123 T152 I154 K167 A168 V173 R174 V175V123-E171 HydrophobicContact CG2-CG 4.31Å; T152-E171 HydrophobicContact CG2-CG 3.98Å; I154-E171 HydrophobicContact CD1-CB 3.73Å; I154-E171 HydrophobicContact CD1-CG 3.95Å; K167-E171 WeakPolarHBondContact O-CB 3.47Å; K167-E171 PolarHBondContact O-N 3.25Å; A168-E171 PolarHBondContact O-N 2.62Å; E171-V173 VanDerWaalsContact C-N 3.26Å; E171-V173 PolarHBondContact O-N 3.41Å; E171-R174 WeakPolarHBondContact O-CB 3.23Å; E171-R174 PolarHBondContact O-N 2.79Å; E171-R174 WeakPolarHBondContact OE2-CD 3.14Å; E171-R174 IonicContact OE2-CZ 2.62Å; E171-R174 IonicContact OE2-NH1 3.41Å; E171-R174 PolarHBondContact OE2-NH1 2.55Å; E171-V175 WeakPolarHBondContact O-CG2 3.33Å; E171-V175 PolarHBondContact O-N 3.49Å
172L98.6Very high91.7Very high0 Ų053.3 Ų53.30%026%0.263CS..Hα-helixtrans-58.9-40.8175.2-17959.4000111.7L17 L90 P121 V123 A168 F169 R174 V175 I176L17-L172 HydrophobicContact CB-CD2 4.11Å; L17-L172 HydrophobicContact CD1-CD2 4.38Å; L17-L172 HydrophobicContact CD2-CD2 3.84Å; L17-L172 HydrophobicContact CD2-CG 4.1Å; L17-L172 HydrophobicContact CG-CD2 4.32Å; L90-L172 HydrophobicContact CD2-CB 3.98Å; L90-L172 HydrophobicContact CD2-CD2 3.82Å; L90-L172 HydrophobicContact CD2-CG 4.44Å; L90-L172 HydrophobicContact CG-CD2 3.84Å; P121-L172 HydrophobicContact CB-CD1 4.32Å; V123-L172 HydrophobicContact CG2-CB 4.01Å; V123-L172 HydrophobicContact CG2-CD1 4.13Å; A168-L172 PolarHBondContact O-N 3.39Å; F169-L172 PolarHBondContact O-N 3.19Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.87Å; L172-V175 PolarHBondContact O-N 3.19Å; L172-I176 HydrophobicContact CG-CD1 4.22Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.12Å; L172-I176 PolarHBondContact O-N 3.11Å
173V98Very high89.4Confident0 Ų060.8 Ų60.80%028%0.283CS..Hα-helixtrans-62.8-38.6175.1175.10000111.7Y15 L17 I57 L64 F169 H170 E171 I176 R177Y15-V173 HydrophobicContact CD2-CG1 3.85Å; Y15-V173 HydrophobicContact CD2-CG2 4.41Å; Y15-V173 HydrophobicContact CE2-CG1 3.78Å; Y15-V173 HydrophobicContact CG-CG1 4.43Å; L17-V173 HydrophobicContact CD1-CG2 4.09Å; L17-V173 HydrophobicContact CD2-CG2 4.35Å; I57-V173 HydrophobicContact CD1-CB 3.83Å; I57-V173 HydrophobicContact CD1-CG1 3.78Å; I57-V173 HydrophobicContact CD1-CG2 3.74Å; L64-V173 HydrophobicContact CD1-CG2 4.47Å; L64-V173 HydrophobicContact CD2-CG2 3.53Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 3.27Å; H170-V173 WeakPolarHBondContact O-CB 3.16Å; H170-V173 PolarHBondContact O-N 3.33Å; E171-V173 VanDerWaalsContact C-N 3.26Å; E171-V173 PolarHBondContact O-N 3.41Å; V173-I176 PolarHBondContact O-N 3.39Å; V173-R177 HydrophobicContact CG1-CG 4.42Å; V173-R177 VanDerWaalsContact O-CG 3.29Å; V173-R177 WeakPolarHBondContact O-CG 3.2Å; V173-R177 PolarHBondContact O-N 2.84Å
174R97.6Very high87.3Confident69 Ų6960.1 Ų60.126%0.2629%0.285SS..Hα-helixtrans-62.3-45.7174.9-68176.5-172.2123.63.7111.6D58 H170 E171 L172 I176 R177 Q178D58-R174 IonicContact OD1-CZ 2.82Å; D58-R174 IonicContact OD1-NE 3.71Å; D58-R174 PolarHBondContact OD1-NE 3.39Å; D58-R174 IonicContact OD1-NH2 2.86Å; D58-R174 PolarHBondContact OD1-NH2 3.44Å; D58-R174 WeakPolarHBondContact OD2-CD 3.25Å; D58-R174 WeakPolarHBondContact OD2-CG 3.28Å; D58-R174 IonicContact OD2-CZ 3.43Å; D58-R174 IonicContact OD2-NE 3.24Å; D58-R174 PolarHBondContact OD2-NE 3.03Å; D58-R174 IonicContact OD2-NH2 2.7Å; H170-R174 WeakPolarHBondContact O-CG 3.44Å; H170-R174 PolarHBondContact O-N 3.26Å; E171-R174 WeakPolarHBondContact O-CB 3.23Å; E171-R174 PolarHBondContact O-N 2.79Å; E171-R174 WeakPolarHBondContact OE2-CD 3.14Å; E171-R174 IonicContact OE2-CZ 2.62Å; E171-R174 IonicContact OE2-NH1 3.41Å; E171-R174 PolarHBondContact OE2-NH1 2.55Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.87Å; R174-I176 VanDerWaalsContact C-N 3.32Å; R174-I176 PolarHBondContact O-N 3.25Å; R174-R177 PolarHBondContact O-N 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.44Å; R174-Q178 PolarHBondContact O-N 3.41Å
175V97.3Very high85.2Confident19 Ų1959.4 Ų59.412%0.11528%0.281CS..Hα-helixtrans-60-43.6176.7177.80000110.7P121 V123 E171 L172 R177 Q178 Q179P121-V175 HydrophobicContact CB-CG1 3.85Å; V123-V175 HydrophobicContact CG2-CG2 4.47Å; E171-V175 WeakPolarHBondContact O-CG2 3.33Å; E171-V175 PolarHBondContact O-N 3.49Å; L172-V175 PolarHBondContact O-N 3.19Å; V175-R177 PolarHBondContact O-N 3.05Å; V175-Q178 PolarHBondContact O-N 2.73Å; V175-Q179 PolarHBondContact O-N 3.08Å
176I96.8Very high82.9Confident6 Ų666.6 Ų66.63%0.03131%0.312CS..Hα-helixtrans-59.8-46.9175.2-65.8165.2000110.9Y15 L17 D87 P121 L172 V173 R174 Q178 Q179 I180Y15-I176 HydrophobicContact CD1-CG2 3.74Å; Y15-I176 HydrophobicContact CE1-CG2 3.89Å; L17-I176 HydrophobicContact CD2-CD1 3.45Å; L17-I176 VanDerWaalsContact CD2-CD1 3.45Å; D87-I176 HydrophobicContact CB-CD1 4.07Å; D87-I176 HydrophobicContact CB-CG2 4.45Å; P121-I176 HydrophobicContact CB-CB 4.44Å; P121-I176 HydrophobicContact CB-CG1 3.53Å; P121-I176 HydrophobicContact CG-CB 4.49Å; P121-I176 HydrophobicContact CG-CG1 3.94Å; L172-I176 HydrophobicContact CG-CD1 4.22Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.12Å; L172-I176 PolarHBondContact O-N 3.11Å; V173-I176 PolarHBondContact O-N 3.39Å; R174-I176 VanDerWaalsContact C-N 3.32Å; R174-I176 PolarHBondContact O-N 3.25Å; I176-Q178 VanDerWaalsContact C-N 3.28Å; I176-Q178 PolarHBondContact O-N 3.02Å; I176-Q179 PolarHBondContact O-N 3.46Å; I176-Q179 VanDerWaalsContact O-N 3.14Å; I176-I180 HydrophobicContact CG2-CD1 3.96Å; I176-I180 WeakPolarHBondContact O-CG1 3.21Å; I176-I180 PolarHBondContact O-N 3.45Å
177R94.9Very high80.6Confident44 Ų4471.1 Ų71.117%0.16633%0.329CS..Hα-helixtrans-61.2-35.4-179-74.9171.9178.3-176.6-2.2112.6Y15 I57 Q60 V173 R174 V175 Q179 I180Y15-R177 HydrophobicContact CE1-CG 4.43Å; Y15-R177 WeakPolarHBondContact OH-CG 3.45Å; Y15-R177 PolarHBondContact OH-NE 3.21Å; I57-R177 PolarHBondContact O-NH1 3.47Å; I57-R177 PolarHBondContact O-NH2 3.45Å; Q60-R177 PolarHBondContact O-NH2 2.9Å; Q60-R177 VanDerWaalsContact O-NH2 3.1Å; V173-R177 HydrophobicContact CG1-CG 4.42Å; V173-R177 VanDerWaalsContact O-CG 3.29Å; V173-R177 WeakPolarHBondContact O-CG 3.2Å; V173-R177 PolarHBondContact O-N 2.84Å; R174-R177 PolarHBondContact O-N 3.33Å; V175-R177 PolarHBondContact O-N 3.05Å; R177-Q179 VanDerWaalsContact C-N 3.29Å; R177-Q179 PolarHBondContact O-N 3.39Å; R177-I180 PolarHBondContact O-N 2.71Å
178Q91.5Very high78.4Confident153 Ų15372.8 Ų72.872%0.71534%0.336SS*.Hα-helixtrans-67.1-28.9177.6-70.5169.1600112.9R174 V175 I176R174-Q178 WeakPolarHBondContact O-CG 3.44Å; R174-Q178 PolarHBondContact O-N 3.41Å; V175-Q178 PolarHBondContact O-N 2.73Å; I176-Q178 VanDerWaalsContact C-N 3.28Å; I176-Q178 PolarHBondContact O-N 3.02Å
179Q83.4Confident76.4Confident95 Ų9579 Ų7944%0.44436%0.362SS..Hα-helixtrans-86.8-12.7-179.4-66.2-166.29.500114.2P121 V175 I176 R177 P181P121-Q179 VanDerWaalsContact CG-CD 3.49Å; P121-Q179 HydrophobicContact CG-CG 4.29Å; P121-Q179 VanDerWaalsContact CG-OE1 3.26Å; V175-Q179 PolarHBondContact O-N 3.08Å; I176-Q179 PolarHBondContact O-N 3.46Å; I176-Q179 VanDerWaalsContact O-N 3.14Å; R177-Q179 VanDerWaalsContact C-N 3.29Å; R177-Q179 PolarHBondContact O-N 3.39Å; Q179-P181 VanDerWaalsContact O-CD 3.27Å; Q179-P181 WeakPolarHBondContact O-CD 3.11Å
180I71.9Confident73.7Confident50 Ų5086.3 Ų86.326%0.25639%0.394SS..SBendtrans-91.7109.9177-58.1170.1000108.4Y15 I176 R177 E182 L185Y15-I180 HydrophobicContact CE1-CD1 4.44Å; I176-I180 HydrophobicContact CG2-CD1 3.96Å; I176-I180 WeakPolarHBondContact O-CG1 3.21Å; I176-I180 PolarHBondContact O-N 3.45Å; R177-I180 PolarHBondContact O-N 2.71Å; I180-E182 PolarHBondContact O-N 2.98Å; I180-L185 HydrophobicContact CG2-CD1 3.95Å; I180-L185 HydrophobicContact CG2-CD2 4.13Å; I180-L185 HydrophobicContact CG2-CG 3.62Å
181P58.8Low71.2Confident81 Ų8191.6 Ų91.653%0.52642%0.421SS..  trans-60.8136.5174-16.929.3000109.6Q179 R183 S184Q179-P181 VanDerWaalsContact O-CD 3.27Å; Q179-P181 WeakPolarHBondContact O-CD 3.11Å; P181-R183 PolarHBondContact O-N 2.68Å; P181-S184 WeakPolarHBondContact O-CB 3.34Å; P181-S184 PolarHBondContact O-N 3.44Å
182E55.1Low68.7Low161 Ų16195.2 Ų95.275%0.75244%0.436SS*.Hα-helixtrans-50.5-27.5-179.6-68.7-170.6154.400113.9I180I180-E182 PolarHBondContact O-N 2.98Å
183R47.8Very low66.1Low220 Ų220103.1 Ų103.183%0.8347%0.466SS*.Hα-helixtrans-67.1-31.7175.9-75.5-177.4170.3-174.3-2.5113.6P181 K187P181-R183 PolarHBondContact O-N 2.68Å; R183-K187 PolarHBondContact O-N 3.21Å
184S55.4Low63.6Low53 Ų53112.9 Ų112.937%0.37150%0.502SS..Hα-helixtrans-74.8-33.3-178.5-56.70000112.1P181 K187 K188P181-S184 WeakPolarHBondContact O-CB 3.34Å; P181-S184 PolarHBondContact O-N 3.44Å; S184-K187 PolarHBondContact O-N 2.95Å; S184-K188 PolarHBondContact O-N 2.73Å
185L54.6Low61Low49 Ų49112.1 Ų112.126%0.25752%0.517SS..Hα-helixtrans-63.5-40.8174.1-72.7156.9000111.6L13 I180 K189L13-L185 HydrophobicContact CD1-CD2 3.49Å; L13-L185 VanDerWaalsContact CD1-CD2 3.49Å; L13-L185 HydrophobicContact CD2-CD2 3.93Å; L13-L185 HydrophobicContact CG-CD2 4.38Å; I180-L185 HydrophobicContact CG2-CD1 3.95Å; I180-L185 HydrophobicContact CG2-CD2 4.13Å; I180-L185 HydrophobicContact CG2-CG 3.62Å; L185-K189 PolarHBondContact O-N 3.33Å; L185-K189 VanDerWaalsContact O-N 3.12Å
186K50Low58.7Low156 Ų156117.8 Ų117.868%0.67854%0.542SS*.Hα-helixtrans-66.6-37.9174.6-67.5-178.2-178.4176.40112.1K190K186-K190 WeakPolarHBondContact O-CB 3.33Å; K186-K190 PolarHBondContact O-N 2.85Å
187K48.8Very low56.2Low155 Ų155126.7 Ų126.767%0.67458%0.575SS**Hα-helixtrans-67.4-44.3176-95.7-175.5176.4-179.30112.8R183 S184 K190 M191R183-K187 PolarHBondContact O-N 3.21Å; S184-K187 PolarHBondContact O-N 2.95Å; K187-K190 PolarHBondContact O-N 2.99Å; K187-M191 PolarHBondContact O-N 3.21Å
188K52.9Low54Low143 Ų143129.1 Ų129.162%0.62260%0.599SS**Hα-helixtrans-60.8-43.6175.1-81.6-173.1175.2-1790111.6S184 K190 M191 K192S184-K188 PolarHBondContact O-N 2.73Å; K188-K190 VanDerWaalsContact C-N 3.35Å; K188-K190 PolarHBondContact O-N 3.48Å; K188-M191 PolarHBondContact O-N 3.19Å; K188-K192 WeakPolarHBondContact O-CB 3.03Å; K188-K192 PolarHBondContact O-N 2.62Å
189K54.7Low51.7Low132 Ų132128.3 Ų128.357%0.57461%0.605SS**Hα-helixtrans-59.1-42.2172.9-77.2-173.1174.3-173.30112.5L185 W193L185-K189 PolarHBondContact O-N 3.33Å; L185-K189 VanDerWaalsContact O-N 3.12Å; K189-W193 WeakPolarHBondContact O-CB 3.23Å; K189-W193 PolarHBondContact O-N 3.39Å; K189-W193 VanDerWaalsContact O-N 3.16Å
190K43.7Very low49.6Very low156 Ų156127.1 Ų127.168%0.67862%0.617SS**Hα-helixtrans-74.1-33.2-178.3-148.3176.6-171.1-179.30113.7K186 K187 K188 R194K186-K190 WeakPolarHBondContact O-CB 3.33Å; K186-K190 PolarHBondContact O-N 2.85Å; K187-K190 PolarHBondContact O-N 2.99Å; K188-K190 VanDerWaalsContact C-N 3.35Å; K188-K190 PolarHBondContact O-N 3.48Å; K190-R194 PolarHBondContact O-N 3.3Å
191M45.4Very low48Very low144 Ų144129.8 Ų129.871%0.70964%0.64SS**Hα-helixtrans-70.8-42.9173.4-83174.758.900111.6K187 K188 W193 R194 G195K187-M191 PolarHBondContact O-N 3.21Å; K188-M191 PolarHBondContact O-N 3.19Å; M191-W193 PolarHBondContact O-N 3.03Å; M191-R194 PolarHBondContact O-N 3.26Å; M191-R194 VanDerWaalsContact O-N 3.14Å; M191-G195 PolarHBondContact O-N 3.43Å
192K45.1Very low46.9Very low113 Ų113134.3 Ų134.349%0.49165%0.654SS.*Hα-helixtrans-63.5-42178.4-154.2178.7-179.5-168.90111.6N11 K188 R194 G195N11-K192 WeakPolarHBondContact OD1-CE 3.38Å; N11-K192 PolarHBondContact OD1-NZ 3.35Å; K188-K192 WeakPolarHBondContact O-CB 3.03Å; K188-K192 PolarHBondContact O-N 2.62Å; K192-R194 PolarHBondContact O-N 3Å; K192-G195 PolarHBondContact O-N 3.48Å; K192-G195 VanDerWaalsContact O-N 3.17Å
193W43.9Very low46.2Very low166 Ų166135.8 Ų135.863%0.62966%0.658SS**Hα-helixtrans-65.1-18.3174.9-160.4-91.9000114.9K189 M191K189-W193 WeakPolarHBondContact O-CB 3.23Å; K189-W193 PolarHBondContact O-N 3.39Å; K189-W193 VanDerWaalsContact O-N 3.16Å; M191-W193 PolarHBondContact O-N 3.03Å
194R45.1Very low45.6Very low205 Ų205131.9 Ų131.977%0.77466%0.659SS**Hα-helixtrans-89.2-21.5175.9-87.8-174.3166.9-143.3-2.3113.1K190 M191 K192K190-R194 PolarHBondContact O-N 3.3Å; M191-R194 PolarHBondContact O-N 3.26Å; M191-R194 VanDerWaalsContact O-N 3.14Å; K192-R194 PolarHBondContact O-N 3Å
195G44Very low44.5Very low54 Ų54137.6 Ų137.656%0.55768%0.679SS**Hα-helixtrans-79.5-20.8-179.100000114.9M191 K192M191-G195 PolarHBondContact O-N 3.43Å; K192-G195 PolarHBondContact O-N 3.48Å; K192-G195 VanDerWaalsContact O-N 3.17Å
196E48.8Very low43.4Very low138 Ų138140.6 Ų140.665%0.64570%0.703SS**THydrogen-bonded Turntrans-92.26.7-177.4-75.2169.5154.400114.1
197R45.2Very low42.8Very low192 Ų192139 Ų13973%0.72571%0.706SS**THydrogen-bonded Turntrans-105.614.9179.9-100.3-171-82.8-174.8-8.3115.3
198S46.9Very low42.2Very low96 Ų96138.9 Ų138.967%0.67171%0.711SS**  trans-136.465.1177.764.20000112.7
199T43.1Very low41.7Very low136 Ų136143.1 Ų143.183%0.83474%0.739SS**  trans-135.7120.2150.147.70000108.3
200G39.3Very low41.1Very low69 Ų69143.7 Ų143.771%0.71175%0.748SS**  trans-66.7147.1-175.200000112.4H202G200-H202 PolarHBondContact O-N 2.9Å; G200-H202 VanDerWaalsContact O-N 3.15Å
201S39.7Very low40.9Very low106 Ų106143.1 Ų143.174%0.74175%0.751SS**  trans-52.3111.7167.2167.20000110.8
202H35.8Very low40.7Very low177 Ų177143 Ų14382%0.81975%0.754SS**  trans-117.3104.4156.3-83.224.4000108G200 V204G200-H202 PolarHBondContact O-N 2.9Å; G200-H202 VanDerWaalsContact O-N 3.15Å; H202-V204 PolarHBondContact O-N 2.95Å
203K39.9Very low40.4Very low192 Ų192144.8 Ų144.884%0.83577%0.769SS**  trans-66122.2167.6-81.3-179172.2-178.70108
204V34.6Very low40.2Very low138 Ų138143.4 Ų143.484%0.83678%0.778SS**  trans-103.2115.4165.5-165.70000107.3H202H202-V204 PolarHBondContact O-N 2.95Å
205H33.7Very low39.9Very low173 Ų173139.3 Ų139.380%0.80178%0.778SS**  trans-74.1126.9171.7-111.4-84.5000108.9
206C30.9Very low39.6Very low112 Ų112145.4 Ų145.476%0.75779%0.794SS**  trans-93.8122.3166.3-172.50000108.1
207V37Very low38.9Very low122 Ų122146 Ų14674%0.73981%0.805SS**  trans-107.1121.2166.8178.40000106.1
208I36.5Very low38.4Very low152 Ų152142.2 Ų142.278%0.77981%0.812SS**  trans-88.5125.5172.4-58.9172.8000106.6
209L42.7Very low37.6Very low233 Ų233146.4 Ų146.4100%1.2283%0.825SS**  trans-112.30157-76.3174.4000107.8

Retrieved 209 of 209 residues in 82.4 ms (Link to these results)

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