A0A060WYT1_ONCMY Loading...

small monomeric GTPase

AlphaFold DB (A0A4W5NFR0), UniProt , Accession A0A060WYT1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110504995, Length 183 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
1M80.8Confident94.9Very high129 Ų12940.6 Ų40.664%0.63519%0.193SC*.  0129.50-150174.8-58.200106.9E43 P50 V52M1-E43 HydrophobicContact SD-CG 4.25Å; M1-P50 HydrophobicContact CE-CB 4.37Å; M1-P50 HydrophobicContact CG-CB 3.97Å; M1-P50 WeakPolarHBondContact CG-O 3.36Å; M1-P50 HydrophobicContact SD-CB 4.22Å; M1-V52 HydrophobicContact CB-CG2 4.16Å; M1-V52 HydrophobicContact CG-CG2 3.89Å; M1-V52 HydrophobicContact SD-CG2 3.44Å; M1-V52 WeakPolarHBondContact SD-CG2 3.49Å
2K92.6Very high94.7Very high90 Ų9040 Ų4039%0.39121%0.205SC..EExtended strand (participates in β ladder)trans-79133.6-179.3-175.1167.1163.8-163.70108.8Y4 S51 V52 N165K2-Y4 HydrophobicContact CB-CE2 3.86Å; K2-Y4 HydrophobicContact CD-CE1 4.02Å; K2-Y4 HydrophobicContact CD-CE2 4.26Å; K2-Y4 VanDerWaalsContact CD-OH 3.27Å; K2-Y4 WeakPolarHBondContact CD-OH 3.37Å; K2-Y4 VanDerWaalsContact CE-CE1 3.5Å; K2-Y4 HydrophobicContact CG-CD2 4.47Å; K2-Y4 HydrophobicContact CG-CE1 4.18Å; K2-Y4 HydrophobicContact CG-CE2 3.78Å; K2-Y4 WeakPolarHBondContact O-CE2 3.42Å; K2-S51 WeakPolarHBondContact O-CA 3.43Å; K2-V52 PolarHBondContact O-N 2.93Å; K2-N165 PolarHBondContact NZ-OD1 3.12Å
3E95.7Very high94.5Very high94 Ų9439.3 Ų39.344%0.43921%0.214SC..EExtended strand (participates in β ladder)trans-98.3138.7178.9-54.8-168.1142.900110R41 V52E3-R41 IonicContact OE1-NH2 2.95Å; E3-R41 PolarHBondContact OE1-NH2 3.43Å; E3-R41 VanDerWaalsContact OE1-NH2 3.07Å; E3-V52 CarbonylContact C-O 3.59Å; E3-V52 WeakPolarHBondContact CA-O 3.27Å; E3-V52 HydrophobicContact CG-CB 4.11Å; E3-V52 HydrophobicContact CG-CG2 4.41Å
4Y97.4Very high94.6Very high8 Ų836.6 Ų36.63%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-130.1128.4-177.9-59.6-93000111K2 S51 V52 L53 E54 V161 M164 N165K2-Y4 HydrophobicContact CB-CE2 3.86Å; K2-Y4 HydrophobicContact CD-CE1 4.02Å; K2-Y4 HydrophobicContact CD-CE2 4.26Å; K2-Y4 VanDerWaalsContact CD-OH 3.27Å; K2-Y4 WeakPolarHBondContact CD-OH 3.37Å; K2-Y4 VanDerWaalsContact CE-CE1 3.5Å; K2-Y4 HydrophobicContact CG-CD2 4.47Å; K2-Y4 HydrophobicContact CG-CE1 4.18Å; K2-Y4 HydrophobicContact CG-CE2 3.78Å; K2-Y4 WeakPolarHBondContact O-CE2 3.42Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.47Å; Y4-V52 PolarHBondContact N-O 3.42Å; Y4-L53 HydrophobicContact CD2-CD1 4.41Å; Y4-L53 WeakPolarHBondContact O-CA 3.03Å; Y4-E54 PolarHBondContact O-N 3.5Å; Y4-V161 HydrophobicContact CD1-CG1 4.38Å; Y4-V161 HydrophobicContact CD2-CG1 4.15Å; Y4-V161 HydrophobicContact CE1-CG1 3.98Å; Y4-V161 HydrophobicContact CE2-CG1 3.77Å; Y4-V161 HydrophobicContact CG-CG1 4.43Å; Y4-M164 HydrophobicContact CD1-CB 3.91Å; Y4-M164 HydrophobicContact CD1-CE 3.64Å; Y4-M164 HydrophobicContact CD1-SD 3.9Å; Y4-M164 HydrophobicContact CE1-CB 4.14Å; Y4-M164 HydrophobicContact CG-CE 3.87Å; Y4-M164 HydrophobicContact CG-SD 4.45Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.43Å; Y4-N165 PolarHBondContact OH-ND2 3.18Å; Y4-N165 VanDerWaalsContact OH-ND2 3.14Å; Y4-N165 PolarHBondContact OH-OD1 3.24Å
5K97.4Very high94.7Very high98 Ų9835.2 Ų35.243%0.42620%0.197SC..EExtended strand (participates in β ladder)trans-97.4108.7178.3-60-174.1-179.2-1690110E54 Q76 G77K5-E54 CarbonylContact C-O 3.58Å; K5-E54 WeakPolarHBondContact CA-O 3.42Å; K5-E54 WeakPolarHBondContact CE-OE2 3.44Å; K5-E54 HydrophobicContact CG-CB 4.42Å; K5-Q76 HydrophobicContact CB-CB 4.49Å; K5-Q76 HydrophobicContact CB-CG 4.28Å; K5-Q76 WeakPolarHBondContact O-CA 3.36Å; K5-Q76 WeakPolarHBondContact O-CB 3.19Å; K5-Q76 PolarHBondContact O-N 3.38Å; K5-G77 PolarHBondContact O-N 3.42Å; K5-G77 VanDerWaalsContact O-N 3.09Å
6V97.9Very high94.9Very high1 Ų133.6 Ų33.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-106.8135.8179.3-179.40000109.4E54 I55 L56 G77 I79 I160 M164V6-E54 PolarHBondContact N-O 3.48Å; V6-I55 WeakPolarHBondContact O-CA 3.28Å; V6-L56 PolarHBondContact O-N 2.8Å; V6-G77 WeakPolarHBondContact CA-O 3.49Å; V6-I79 HydrophobicContact CG1-CD1 3.63Å; V6-I79 HydrophobicContact CG1-CG1 3.78Å; V6-I160 HydrophobicContact CG1-CG1 4.29Å; V6-I160 HydrophobicContact CG1-CG2 4.24Å; V6-I160 HydrophobicContact CG2-CG1 4.35Å; V6-I160 HydrophobicContact CG2-CG2 3.93Å; V6-M164 HydrophobicContact CG2-CE 3.61Å; V6-M164 HydrophobicContact CG2-SD 4.47Å
7V97.7Very high94.9Very high3 Ų333.4 Ų33.42%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-115127.2174.2-171.30000108.8L9 L56 T58 G77 F78 I79V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 4.04Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; V7-L56 HydrophobicContact CG1-CB 4.5Å; V7-L56 HydrophobicContact CG1-CD2 4.26Å; V7-L56 HydrophobicContact CG1-CG 4.4Å; V7-L56 HydrophobicContact CG2-CB 4.39Å; V7-L56 HydrophobicContact CG2-CD2 4.35Å; V7-T58 HydrophobicContact CG1-CG2 3.8Å; V7-G77 PolarHBondContact N-O 2.96Å; V7-F78 HydrophobicContact CB-CD1 4Å; V7-F78 HydrophobicContact CB-CE1 4.01Å; V7-F78 HydrophobicContact CG2-CE1 4.08Å; V7-F78 WeakPolarHBondContact O-CA 3.39Å; V7-I79 PolarHBondContact O-N 3.09Å
8V97.8Very high95Very high1 Ų132.9 Ų32.91%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-97.3120.7176.1-167.10000108.7K16 I55 L56 T58 I79 V81V8-K16 HydrophobicContact CB-CB 4.49Å; V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.15Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-I55 HydrophobicContact CG2-CG2 3.74Å; V8-L56 PolarHBondContact N-O 2.79Å; V8-T58 PolarHBondContact O-OG1 3.13Å; V8-I79 HydrophobicContact CG1-CB 4.37Å; V8-I79 HydrophobicContact CG1-CG2 4.34Å; V8-I79 HydrophobicContact CG2-CB 4.47Å; V8-I79 HydrophobicContact CG2-CD1 4.37Å; V8-V81 HydrophobicContact CG1-CG2 3.69Å
9L96.3Very high95.2Very high4 Ų431.3 Ų31.32%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-128155.1-174.9-67.2169.8000110.2V7 T58 R68 I72 F78 I79 L80 V81 I100V7-L9 HydrophobicContact CG1-CD1 4.37Å; V7-L9 HydrophobicContact CG1-CD2 4.04Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; L9-T58 HydrophobicContact CD2-CG2 4.11Å; L9-R68 HydrophobicContact CD2-CG 4.29Å; L9-I72 HydrophobicContact CD1-CG1 4.25Å; L9-F78 HydrophobicContact CD1-CD1 3.95Å; L9-I79 PolarHBondContact N-O 3.45Å; L9-L80 HydrophobicContact CB-CD2 3.83Å; L9-V81 PolarHBondContact O-N 3.12Å; L9-I100 HydrophobicContact CD1-CD1 3.82Å; L9-I100 HydrophobicContact CD1-CG1 4.12Å
10G95.9Very high95.3Very high4 Ų429.7 Ų29.74%0.04117%0.171CC..  trans148.4163-17500000111.9K16 G60 V81 M96G10-K16 PolarHBondContact O-NZ 2.92Å; G10-G60 VanDerWaalsContact O-CA 3.31Å; G10-G60 WeakPolarHBondContact O-CA 3.45Å; G10-V81 VanDerWaalsContact CA-O 3.31Å; G10-V81 WeakPolarHBondContact CA-O 3.45Å; G10-M96 VanDerWaalsContact CA-SD 3.59Å
11S94.2Very high95.3Very high15 Ų1529.3 Ų29.311%0.10517%0.169CC..SBendtrans-60.6167.2-177-52.60000112.7V14 K16 G60 D92S11-V14 WeakPolarHBondContact O-CG1 3.47Å; S11-V14 VanDerWaalsContact O-CG2 3.22Å; S11-V14 WeakPolarHBondContact O-CG2 3.46Å; S11-K16 PolarHBondContact O-NZ 3.34Å; S11-G60 CarbonylContact C-O 3.56Å; S11-D92 VanDerWaalsContact OG-CB 3.3Å; S11-D92 WeakPolarHBondContact OG-CB 3.48Å; S11-D92 PolarHBondContact OG-OD2 3.46Å
12G92.3Very high96.1Very high33 Ų3323.7 Ų23.734%0.3414%0.141SC..THydrogen-bonded Turntrans-57142.3174.100000111.9V14 G60G12-V14 PolarHBondContact O-N 2.9Å; G12-V14 VanDerWaalsContact O-N 3.14Å; G12-G60 PolarHBondContact N-O 3.04Å
13G92.8Very high96.3Very high31 Ų3119.7 Ų19.732%0.3212%0.124SC..THydrogen-bonded Turntrans71.23173.400000117.1G15 K117G13-G15 PolarHBondContact O-N 2.79Å; G13-K117 WeakPolarHBondContact O-CE 3.32Å; G13-K117 PolarHBondContact O-NZ 2.94Å
14V96.4Very high96.4Very high1 Ų117.2 Ų17.21%0.00612%0.115CC..SBendtrans-71.8-15.8178-57.60000113.6S11 G12 K16 V81 N116S11-V14 WeakPolarHBondContact O-CG1 3.47Å; S11-V14 VanDerWaalsContact O-CG2 3.22Å; S11-V14 WeakPolarHBondContact O-CG2 3.46Å; G12-V14 PolarHBondContact O-N 2.9Å; G12-V14 VanDerWaalsContact O-N 3.14Å; V14-K16 HydrophobicContact CG2-CD 4.37Å; V14-K16 HydrophobicContact CG2-CG 3.66Å; V14-V81 HydrophobicContact CB-CG1 4.29Å; V14-V81 HydrophobicContact CG2-CB 4.01Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; V14-V81 WeakPolarHBondContact CG2-O 3.47Å; V14-N116 PolarHBondContact O-ND2 2.83Å
15G96.1Very high96.2Very high16 Ų1620.5 Ų20.517%0.16514%0.136CC..SBendtrans100.128.2175.800000115.5G13 A18 L19G13-G15 PolarHBondContact O-N 2.79Å; G15-A18 PolarHBondContact O-N 3.3Å; G15-L19 WeakPolarHBondContact O-CG 3.35Å; G15-L19 PolarHBondContact O-N 3.19Å
16K96.8Very high96Very high10 Ų1018.1 Ų18.14%0.04314%0.139CC..Hα-helixtrans-55.2-56.5174.9-57-172.6-62.4-72.80111.9V8 G10 S11 V14 A18 L19 T20 D57 T58 V81V8-K16 HydrophobicContact CB-CB 4.49Å; V8-K16 HydrophobicContact CG1-CB 3.71Å; V8-K16 HydrophobicContact CG1-CD 4.15Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; G10-K16 PolarHBondContact O-NZ 2.92Å; S11-K16 PolarHBondContact O-NZ 3.34Å; V14-K16 HydrophobicContact CG2-CD 4.37Å; V14-K16 HydrophobicContact CG2-CG 3.66Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 3.27Å; K16-L19 PolarHBondContact O-N 2.8Å; K16-T20 PolarHBondContact O-N 3.13Å; K16-T20 PolarHBondContact O-OG1 3.16Å; K16-T20 VanDerWaalsContact O-OG1 3.13Å; K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.45Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; K16-V81 HydrophobicContact CG-CB 4.27Å; K16-V81 HydrophobicContact CG-CG2 4.37Å
17S95.6Very high95.7Very high30 Ų3021.5 Ų21.521%0.2116%0.16CC..Hα-helixtrans-60.7-40.3177-36.10000112L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 3.4Å; S17-T20 PolarHBondContact O-N 3.42Å; S17-V21 VanDerWaalsContact O-CB 3.3Å; S17-V21 WeakPolarHBondContact O-CB 3.5Å; S17-V21 VanDerWaalsContact O-CG2 3.26Å; S17-V21 WeakPolarHBondContact O-CG2 3.28Å; S17-V21 PolarHBondContact O-N 3.21Å; S17-T35 PolarHBondContact OG-OG1 2.76Å; S17-D57 WeakPolarHBondContact CA-OD2 3.38Å; S17-D57 WeakPolarHBondContact CB-OD2 3.48Å; S17-D57 PolarHBondContact N-OD1 3.39Å; S17-D57 PolarHBondContact OG-OD2 2.94Å
18A96.2Very high95.2Very high25 Ų2525 Ų2521%0.20718%0.175CC..Hα-helixtrans-63.1-41.2177.500000112.1G15 K16 Q22 F28 A147G15-A18 PolarHBondContact O-N 3.3Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 3.27Å; A18-Q22 WeakPolarHBondContact O-CB 3.38Å; A18-Q22 PolarHBondContact O-N 2.91Å; A18-F28 HydrophobicContact CB-CD2 4.4Å; A18-F28 HydrophobicContact CB-CE2 4.02Å; A18-A147 HydrophobicContact CB-CB 3.64Å
19L98.2Very high94.5Very high1 Ų130 Ų301%0.00520%0.2CC..Hα-helixtrans-65.6-46.8174.5-74.1170000111.4G15 K16 S17 Q22 F23 V81 V114 N116 A147 V153 L156G15-L19 WeakPolarHBondContact O-CG 3.35Å; G15-L19 PolarHBondContact O-N 3.19Å; K16-L19 PolarHBondContact O-N 2.8Å; S17-L19 PolarHBondContact O-N 3.4Å; L19-Q22 PolarHBondContact O-N 2.97Å; L19-F23 WeakPolarHBondContact O-CB 3.34Å; L19-F23 PolarHBondContact O-N 3.45Å; L19-V81 HydrophobicContact CD1-CG1 3.94Å; L19-V81 HydrophobicContact CD1-CG2 4.12Å; L19-V114 HydrophobicContact CD1-CG1 4.31Å; L19-N116 HydrophobicContact CD1-CB 4.33Å; L19-A147 HydrophobicContact CD2-CB 3.97Å; L19-A147 HydrophobicContact CG-CB 4.2Å; L19-V153 HydrophobicContact CD2-CG2 3.88Å; L19-L156 HydrophobicContact CD1-CD2 4.23Å
20T97.2Very high93.6Very high0 Ų037.4 Ų37.40%024%0.235CC..Hα-helixtrans-63.4-48.6-179.2-580000111.7K16 S17 F23 V24 Y40 I55K16-T20 PolarHBondContact O-N 3.13Å; K16-T20 PolarHBondContact O-OG1 3.16Å; K16-T20 VanDerWaalsContact O-OG1 3.13Å; S17-T20 PolarHBondContact O-N 3.42Å; T20-F23 PolarHBondContact O-N 3.14Å; T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 WeakPolarHBondContact O-CB 3.48Å; T20-V24 WeakPolarHBondContact O-CG2 3.48Å; T20-V24 PolarHBondContact O-N 2.77Å; T20-Y40 HydrophobicContact CG2-CD1 4.49Å; T20-Y40 HydrophobicContact CG2-CD2 3.28Å; T20-Y40 HydrophobicContact CG2-CE2 3.67Å; T20-Y40 HydrophobicContact CG2-CG 3.74Å; T20-I55 HydrophobicContact CG2-CB 4.25Å; T20-I55 HydrophobicContact CG2-CD1 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å
21V95.8Very high92.7Very high22 Ų2246.1 Ų46.113%0.13327%0.272CS..Hα-helixtrans-63.7-47.9177.3173.40000110.2S17 F23 V24 T25 I29 Y40S17-V21 VanDerWaalsContact O-CB 3.3Å; S17-V21 WeakPolarHBondContact O-CB 3.5Å; S17-V21 VanDerWaalsContact O-CG2 3.26Å; S17-V21 WeakPolarHBondContact O-CG2 3.28Å; S17-V21 PolarHBondContact O-N 3.21Å; V21-F23 PolarHBondContact O-N 3.06Å; V21-V24 PolarHBondContact O-N 2.76Å; V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.41Å; V21-T25 PolarHBondContact O-N 3.44Å; V21-T25 PolarHBondContact O-OG1 3.42Å; V21-I29 HydrophobicContact CG1-CD1 4.23Å; V21-Y40 HydrophobicContact CG2-CE1 4.28Å
22Q97.3Very high91.5Very high11 Ų1152.6 Ų52.65%0.05130%0.295CS..Hα-helixtrans-57.9-38.8178-179.969-58.400112.1A18 L19 G26 T27 A147 K150 V153A18-Q22 WeakPolarHBondContact O-CB 3.38Å; A18-Q22 PolarHBondContact O-N 2.91Å; L19-Q22 PolarHBondContact O-N 2.97Å; Q22-G26 WeakPolarHBondContact O-CA 3.47Å; Q22-G26 PolarHBondContact O-N 2.85Å; Q22-G26 PolarHBondContact OE1-O 3.37Å; Q22-T27 WeakPolarHBondContact CA-O 3.41Å; Q22-T27 PolarHBondContact OE1-O 2.97Å; Q22-A147 WeakPolarHBondContact CG-O 3.26Å; Q22-A147 PolarHBondContact NE2-O 3.36Å; Q22-K150 HydrophobicContact CG-CB 4.38Å; Q22-K150 HydrophobicContact CG-CG 3.92Å; Q22-V153 HydrophobicContact CB-CG1 4.45Å; Q22-V153 HydrophobicContact CG-CG1 4.22Å; Q22-V153 HydrophobicContact CG-CG2 4.27Å
23F97.9Very high90.7Very high6 Ų657.4 Ų57.43%0.02631%0.313CS..Hα-helixtrans-66.5-47.1173.6176.8-114.6000111.9L19 T20 V21 K42 I44 L53 I55 V153 D154 F157L19-F23 WeakPolarHBondContact O-CB 3.34Å; L19-F23 PolarHBondContact O-N 3.45Å; T20-F23 PolarHBondContact O-N 3.14Å; V21-F23 PolarHBondContact O-N 3.06Å; F23-K42 HydrophobicContact CD1-CD 4.07Å; F23-K42 HydrophobicContact CE1-CB 4.28Å; F23-K42 HydrophobicContact CE1-CD 3.76Å; F23-K42 HydrophobicContact CE1-CG 4.38Å; F23-K42 HydrophobicContact CE2-CD 4.48Å; F23-K42 HydrophobicContact CZ-CD 4.01Å; F23-K42 PolarHBondContact O-NZ 3.28Å; F23-I44 HydrophobicContact CE1-CG2 4.43Å; F23-I44 HydrophobicContact CE2-CG2 4.3Å; F23-I44 HydrophobicContact CZ-CD1 4.35Å; F23-I44 HydrophobicContact CZ-CG2 3.61Å; F23-L53 HydrophobicContact CE1-CD2 4.25Å; F23-L53 HydrophobicContact CZ-CD2 4.33Å; F23-I55 HydrophobicContact CD1-CD1 3.64Å; F23-I55 HydrophobicContact CE1-CD1 3.76Å; F23-V153 HydrophobicContact CB-CG1 3.82Å; F23-D154 WeakPolarHBondContact CD2-OD1 3.42Å; F23-F157 HydrophobicContact CB-CD2 3.55Å; F23-F157 HydrophobicContact CB-CE2 3.38Å; F23-F157 HydrophobicContact CB-CG 4.44Å; F23-F157 HydrophobicContact CB-CZ 4.15Å; F23-F157 HydrophobicContact CD1-CB 4.19Å; F23-F157 HydrophobicContact CD1-CD1 4.02Å; F23-F157 AromaticContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CE1 4.31Å; F23-F157 AromaticContact CD1-CE2 3.99Å; F23-F157 HydrophobicContact CD1-CE2 3.99Å; F23-F157 AromaticContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CZ 4.3Å; F23-F157 HydrophobicContact CD2-CB 3.95Å; F23-F157 AromaticContact CD2-CD2 3.48Å; F23-F157 HydrophobicContact CD2-CD2 3.48Å; F23-F157 VanDerWaalsContact CD2-CD2 3.48Å; F23-F157 HydrophobicContact CD2-CE2 4.24Å; F23-F157 AromaticContact CD2-CG 3.92Å; F23-F157 HydrophobicContact CD2-CG 3.92Å; F23-F157 HydrophobicContact CE1-CB 3.77Å; F23-F157 HydrophobicContact CE1-CD1 4.06Å; F23-F157 HydrophobicContact CE1-CD2 4.14Å; F23-F157 AromaticContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 AromaticContact CE2-CD2 3.99Å; F23-F157 HydrophobicContact CE2-CD2 3.99Å; F23-F157 AromaticContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CG-CB 4.25Å; F23-F157 HydrophobicContact CG-CD1 4.47Å; F23-F157 AromaticContact CG-CD2 3.27Å; F23-F157 HydrophobicContact CG-CD2 3.27Å; F23-F157 AromaticContact CG-CE2 3.63Å; F23-F157 HydrophobicContact CG-CE2 3.63Å; F23-F157 AromaticContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CZ 4.36Å; F23-F157 HydrophobicContact CZ-CB 3.37Å; F23-F157 HydrophobicContact CZ-CD2 4.26Å; F23-F157 AromaticContact CZ-CG 3.84Å; F23-F157 HydrophobicContact CZ-CG 3.84Å
24V96.7Very high90Very high42 Ų4260 Ų6026%0.25532%0.324SS..Hα-helixtrans-73.7-44.8-172.6174.20000112.4T20 V21 Y40 I55T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 WeakPolarHBondContact O-CB 3.48Å; T20-V24 WeakPolarHBondContact O-CG2 3.48Å; T20-V24 PolarHBondContact O-N 2.77Å; V21-V24 PolarHBondContact O-N 2.76Å; V24-Y40 HydrophobicContact CB-CD1 4.39Å; V24-Y40 HydrophobicContact CG1-CD1 4.2Å; V24-Y40 HydrophobicContact CG2-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CG 4.18Å; V24-I55 HydrophobicContact CG2-CD1 4.29Å
25T94.3Very high89.1Confident77 Ų7760.9 Ų60.947%0.47233%0.33SS..Hα-helixtrans-106.4-16.2-17166.10000113.5V21 T27V21-T25 HydrophobicContact CG1-CG2 4.29Å; V21-T25 WeakPolarHBondContact CG1-OG1 3.41Å; V21-T25 PolarHBondContact O-N 3.44Å; V21-T25 PolarHBondContact O-OG1 3.42Å; T25-T27 PolarHBondContact O-N 2.96Å; T25-T27 PolarHBondContact OG1-N 3.28Å; T25-T27 PolarHBondContact OG1-OG1 2.78Å
26G93.6Very high88.2Confident47 Ų4764.8 Ų64.849%0.48535%0.345SS..SBendtrans69.417.5-171.900000113.6Q22Q22-G26 WeakPolarHBondContact O-CA 3.47Å; Q22-G26 PolarHBondContact O-N 2.85Å; Q22-G26 PolarHBondContact OE1-O 3.37Å
27T90.3Very high87.5Confident73 Ų7368 Ų6845%0.44836%0.361SS..  trans-120.8143.2177.960.40000112.2Q22 T25Q22-T27 WeakPolarHBondContact CA-O 3.41Å; Q22-T27 PolarHBondContact OE1-O 2.97Å; T25-T27 PolarHBondContact O-N 2.96Å; T25-T27 PolarHBondContact OG1-N 3.28Å; T25-T27 PolarHBondContact OG1-OG1 2.78Å
28F88.6Confident87.3Confident76 Ų7669.9 Ų69.933%0.33337%0.368SS..  trans-102.2126.4170.5179.5-105.8000109.8A18 E30 A147 K148A18-F28 HydrophobicContact CB-CD2 4.4Å; A18-F28 HydrophobicContact CB-CE2 4.02Å; F28-E30 HydrophobicContact CD1-CG 4.09Å; F28-E30 HydrophobicContact CE1-CG 3.63Å; F28-A147 HydrophobicContact CD2-CB 4.08Å; F28-A147 HydrophobicContact CE2-CB 4.1Å; F28-K148 HydrophobicContact CD1-CB 4.34Å; F28-K148 HydrophobicContact CD1-CG 4.05Å; F28-K148 HydrophobicContact CD2-CB 4.35Å; F28-K148 HydrophobicContact CE1-CB 4.1Å; F28-K148 HydrophobicContact CE1-CD 4.41Å; F28-K148 HydrophobicContact CE1-CG 3.86Å; F28-K148 HydrophobicContact CE2-CB 4.12Å; F28-K148 HydrophobicContact CG-CB 4.45Å; F28-K148 HydrophobicContact CZ-CB 4Å; F28-K148 HydrophobicContact CZ-CG 4.25Å
29I81.9Confident87.1Confident106 Ų10675.5 Ų75.554%0.54439%0.389SS..  trans-106.6117.3177.6-58.1175.6000107.9V21 K31V21-I29 HydrophobicContact CG1-CD1 4.23Å; I29-K31 VanDerWaalsContact C-N 3.33Å; I29-K31 HydrophobicContact CG2-CB 4.31Å; I29-K31 PolarHBondContact O-N 2.88Å
30E77.1Confident87Confident159 Ų15978.2 Ų78.274%0.74340%0.399SS*.  trans-71.5-25.8-178.8-79.1-176.517300113.7F28 Y32F28-E30 HydrophobicContact CD1-CG 4.09Å; F28-E30 HydrophobicContact CE1-CG 3.63Å; E30-Y32 PolarHBondContact O-N 3.26Å
31K78.6Confident87Confident188 Ų18884.8 Ų84.882%0.81742%0.424SS*.SBendtrans-73.7125-179.6-69.4-174.4179-178.40110.2I29I29-K31 VanDerWaalsContact C-N 3.33Å; I29-K31 HydrophobicContact CG2-CB 4.31Å; I29-K31 PolarHBondContact O-N 2.88Å
32Y68.6Low87.1Confident150 Ų15086.3 Ų86.359%0.58843%0.429SS*.  trans-86.6116.6172.6-177.3-107.5000110.2E30 P34E30-Y32 PolarHBondContact O-N 3.26Å; Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CB 4.36Å; Y32-P34 HydrophobicContact CE1-CG 3.83Å
33D75.1Confident87.1Confident135 Ų13591.8 Ų91.872%0.72245%0.454SS*.  trans-112.8121.4165.2-165.34.7000107.8T35D33-T35 PolarHBondContact O-N 3.12Å; D33-T35 VanDerWaalsContact O-N 3.13Å
34P77.6Confident87Confident84 Ų8492.9 Ų92.955%0.54546%0.46SS..  trans-59115.9-179.8-23.432.7000112.7Y32Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CB 4.36Å; Y32-P34 HydrophobicContact CE1-CG 3.83Å
35T77.9Confident87Confident21 Ų2197.6 Ų97.613%0.12948%0.479CS..  trans-69.2142.5175-55.40000112.3S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 2.76Å; D33-T35 PolarHBondContact O-N 3.12Å; D33-T35 VanDerWaalsContact O-N 3.13Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.43Å; T35-A59 WeakPolarHBondContact O-CA 3.41Å; T35-A59 WeakPolarHBondContact O-CB 3.32Å
36I77.3Confident87.1Confident97 Ų9794.1 Ų94.150%0.49746%0.458SS..SBendtrans-96.3-68.3165.4-61.2176.2000108.5A59 F64I36-A59 VanDerWaalsContact O-CB 3.31Å; I36-A59 WeakPolarHBondContact O-CB 3.45Å; I36-A59 PolarHBondContact O-N 3.41Å; I36-F64 HydrophobicContact CB-CZ 4.44Å; I36-F64 HydrophobicContact CD1-CZ 4.48Å; I36-F64 HydrophobicContact CG1-CE2 4.42Å; I36-F64 HydrophobicContact CG1-CZ 4.03Å; I36-F64 HydrophobicContact CG2-CD1 4.3Å; I36-F64 HydrophobicContact CG2-CE1 3.8Å; I36-F64 HydrophobicContact CG2-CE2 4.48Å; I36-F64 HydrophobicContact CG2-CZ 3.9Å
37E81.6Confident87.1Confident78 Ų7896.6 Ų96.636%0.36446%0.46SS..EExtended strand (participates in β ladder)trans-155.1138.416762.1180-177.400108.2L56 D57 Y71E37-L56 HydrophobicContact CB-CD1 4.2Å; E37-D57 WeakPolarHBondContact CA-O 3.45Å; E37-Y71 WeakPolarHBondContact OE2-CE1 3.36Å; E37-Y71 PolarHBondContact OE2-OH 2.91Å
38D90.9Very high87.2Confident69 Ų6997.9 Ų97.937%0.36947%0.472SS..EExtended strand (participates in β ladder)trans-135.2136.6175.5-75.6-56.9000110.1T35 Y40 D57T35-D38 WeakPolarHBondContact CG2-OD2 3.43Å; D38-Y40 HydrophobicContact CB-CD2 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.35Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 2.97Å
39F93.1Very high87.4Confident144 Ų14497.4 Ų97.463%0.63248%0.478SS*.EExtended strand (participates in β ladder)trans-106125.6178.9-70.1-88.2000110.4L56F39-L56 HydrophobicContact CD1-CB 4.48Å; F39-L56 HydrophobicContact CD1-CD1 4.01Å; F39-L56 HydrophobicContact CD2-CD1 4.36Å; F39-L56 HydrophobicContact CE1-CB 4.29Å; F39-L56 HydrophobicContact CE1-CD1 3.62Å; F39-L56 HydrophobicContact CE1-CD2 4.35Å; F39-L56 HydrophobicContact CE1-CG 4.3Å; F39-L56 HydrophobicContact CE2-CD1 3.99Å; F39-L56 HydrophobicContact CG-CD1 4.37Å; F39-L56 HydrophobicContact CZ-CD1 3.61Å; F39-L56 HydrophobicContact CZ-CD2 4.5Å
40Y96.2Very high88.1Confident57 Ų5796 Ų9622%0.22448%0.476CS..EExtended strand (participates in β ladder)trans-121149.1175-58.4-93.1000110.4T20 V21 V24 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD1 4.49Å; T20-Y40 HydrophobicContact CG2-CD2 3.28Å; T20-Y40 HydrophobicContact CG2-CE2 3.67Å; T20-Y40 HydrophobicContact CG2-CG 3.74Å; V21-Y40 HydrophobicContact CG2-CE1 4.28Å; V24-Y40 HydrophobicContact CB-CD1 4.39Å; V24-Y40 HydrophobicContact CG1-CD1 4.2Å; V24-Y40 HydrophobicContact CG2-CD1 4.18Å; V24-Y40 HydrophobicContact CG2-CG 4.18Å; D38-Y40 HydrophobicContact CB-CD2 4.33Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; Y40-E54 CarbonylContact O-C 3.59Å; Y40-E54 WeakPolarHBondContact O-CA 3.12Å; Y40-I55 PolarHBondContact N-O 3.21Å; Y40-I55 PolarHBondContact O-N 3.03Å; Y40-D57 HydrophobicContact CE2-CB 4.1Å
41R97.1Very high89Confident138 Ų13888.5 Ų88.552%0.52144%0.441SS..EExtended strand (participates in β ladder)trans-131.6129.7175.4-167.5172.6-177.3-102.62.5109.4E3 V52 L53 E54E3-R41 IonicContact OE1-NH2 2.95Å; E3-R41 PolarHBondContact OE1-NH2 3.43Å; E3-R41 VanDerWaalsContact OE1-NH2 3.07Å; R41-V52 HydrophobicContact CG-CG1 3.71Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.46Å; R41-E54 HydrophobicContact CG-CG 4.48Å
42K97.3Very high89.9Confident55 Ų5579.7 Ų79.724%0.23940%0.403CS..EExtended strand (participates in β ladder)trans-141.2133.4177.3-178.2168.7171.8-164.70111.1F23 I44 L53F23-K42 HydrophobicContact CD1-CD 4.07Å; F23-K42 HydrophobicContact CE1-CB 4.28Å; F23-K42 HydrophobicContact CE1-CD 3.76Å; F23-K42 HydrophobicContact CE1-CG 4.38Å; F23-K42 HydrophobicContact CE2-CD 4.48Å; F23-K42 HydrophobicContact CZ-CD 4.01Å; F23-K42 PolarHBondContact O-NZ 3.28Å; K42-I44 HydrophobicContact CD-CG2 4.21Å; K42-I44 HydrophobicContact CG-CG2 3.95Å; K42-L53 PolarHBondContact N-O 3.26Å; K42-L53 PolarHBondContact O-N 3.08Å
43E97.8Very high91.3Very high126 Ų12672.5 Ų72.559%0.58938%0.375SS*.EExtended strand (participates in β ladder)trans-80.4132.2167.6-60.8-171.9177.400109.3M1 S51 V52M1-E43 HydrophobicContact SD-CG 4.25Å; E43-S51 WeakPolarHBondContact CA-O 3.36Å; E43-V52 HydrophobicContact CG-CG2 4.35Å
44I96.7Very high92.3Very high28 Ų2869 Ų6914%0.14435%0.354CS..EExtended strand (participates in β ladder)trans-138.5165.3175.566.7174.2000110.9F23 K42 V46 S51 L53 V161F23-I44 HydrophobicContact CE1-CG2 4.43Å; F23-I44 HydrophobicContact CE2-CG2 4.3Å; F23-I44 HydrophobicContact CZ-CD1 4.35Å; F23-I44 HydrophobicContact CZ-CG2 3.61Å; K42-I44 HydrophobicContact CD-CG2 4.21Å; K42-I44 HydrophobicContact CG-CG2 3.95Å; I44-V46 HydrophobicContact CD1-CG2 3.44Å; I44-V46 VanDerWaalsContact CD1-CG2 3.44Å; I44-V46 HydrophobicContact CG1-CG2 3.9Å; I44-S51 PolarHBondContact N-O 3.38Å; I44-S51 PolarHBondContact O-N 2.97Å; I44-S51 VanDerWaalsContact O-O 3.05Å; I44-L53 HydrophobicContact CD1-CD1 3.42Å; I44-L53 VanDerWaalsContact CD1-CD1 3.42Å; I44-L53 HydrophobicContact CD1-CD2 3.8Å; I44-L53 HydrophobicContact CD1-CG 4.23Å; I44-L53 HydrophobicContact CG1-CD1 3.64Å; I44-V161 HydrophobicContact CD1-CG2 4.29Å
45E95.8Very high93.3Very high141 Ų14165 Ų6566%0.65933%0.328SS*.EExtended strand (participates in β ladder)trans-109.6124.3168.1-169.3178123.600108.8S48E45-S48 WeakPolarHBondContact OE1-CA 3.34Å
46V95.4Very high94.2Very high5 Ų564.7 Ų64.73%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-123.2122.1174.8-178.20000107.6I44 S48 S49 A158 V161 R162I44-V46 HydrophobicContact CD1-CG2 3.44Å; I44-V46 VanDerWaalsContact CD1-CG2 3.44Å; I44-V46 HydrophobicContact CG1-CG2 3.9Å; V46-S48 VanDerWaalsContact C-N 3.26Å; V46-S48 PolarHBondContact O-N 3.38Å; V46-S49 PolarHBondContact N-O 3.37Å; V46-S49 VanDerWaalsContact N-O 3.1Å; V46-S49 WeakPolarHBondContact O-CA 3.39Å; V46-S49 WeakPolarHBondContact O-CB 3.27Å; V46-S49 PolarHBondContact O-N 2.76Å; V46-A158 HydrophobicContact CG1-CB 4.5Å; V46-A158 HydrophobicContact CG2-CB 4.18Å; V46-V161 HydrophobicContact CB-CG1 4.12Å; V46-V161 HydrophobicContact CG1-CB 4.33Å; V46-V161 HydrophobicContact CG1-CG1 4.17Å; V46-V161 HydrophobicContact CG2-CB 4.05Å; V46-V161 HydrophobicContact CG2-CG1 4Å; V46-V161 HydrophobicContact CG2-CG2 4.29Å; V46-R162 HydrophobicContact CG1-CG 3.76Å
47D93.5Very high95Very high99 Ų9960 Ų6053%0.52930%0.302SS..THydrogen-bonded Turntrans49.547.5-178.8-49.8-25.5000112.2S49 R162D47-S49 PolarHBondContact O-N 2.88Å; D47-S49 VanDerWaalsContact O-N 3.12Å; D47-R162 IonicContact OD1-CZ 2.9Å; D47-R162 IonicContact OD1-NE 3.56Å; D47-R162 PolarHBondContact OD1-NE 3.23Å; D47-R162 IonicContact OD1-NH2 2.85Å; D47-R162 WeakPolarHBondContact OD2-CD 3.47Å; D47-R162 IonicContact OD2-NE 3.72Å; D47-R162 PolarHBondContact OD2-NE 3.33Å
48S92.3Very high95.4Very high100 Ų10056.5 Ų56.570%0.69929%0.286SS*.THydrogen-bonded Turntrans60.815.4-176.6-56.90000115.5E45 V46E45-S48 WeakPolarHBondContact OE1-CA 3.34Å; V46-S48 VanDerWaalsContact C-N 3.26Å; V46-S48 PolarHBondContact O-N 3.38Å
49S93.8Very high95.1Very high65 Ų6553.8 Ų53.846%0.45527%0.272SS..EExtended strand (participates in β ladder)trans-109.2116.8176.9-63.30000111V46 D47 S51V46-S49 PolarHBondContact N-O 3.37Å; V46-S49 VanDerWaalsContact N-O 3.1Å; V46-S49 WeakPolarHBondContact O-CA 3.39Å; V46-S49 WeakPolarHBondContact O-CB 3.27Å; V46-S49 PolarHBondContact O-N 2.76Å; D47-S49 PolarHBondContact O-N 2.88Å; D47-S49 VanDerWaalsContact O-N 3.12Å; S49-S51 PolarHBondContact O-N 2.95Å; S49-S51 PolarHBondContact O-OG 3.47Å
50P95.6Very high94.1Very high76 Ų7647.6 Ų47.649%0.49425%0.25SC..EExtended strand (participates in β ladder)trans-66.9129.7177.628.1-34.4000110.3M1M1-P50 HydrophobicContact CE-CB 4.37Å; M1-P50 HydrophobicContact CG-CB 3.97Å; M1-P50 WeakPolarHBondContact CG-O 3.36Å; M1-P50 HydrophobicContact SD-CB 4.22Å
51S96.2Very high92.9Very high2 Ų247.4 Ų47.41%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-138.1147.6-170.8-63.60000110.6K2 Y4 E43 I44 S49K2-S51 WeakPolarHBondContact O-CA 3.43Å; Y4-S51 WeakPolarHBondContact CE2-OG 3.47Å; E43-S51 WeakPolarHBondContact CA-O 3.36Å; I44-S51 PolarHBondContact N-O 3.38Å; I44-S51 PolarHBondContact O-N 2.97Å; I44-S51 VanDerWaalsContact O-O 3.05Å; S49-S51 PolarHBondContact O-N 2.95Å; S49-S51 PolarHBondContact O-OG 3.47Å
52V97.4Very high91.5Very high3 Ų346.9 Ų46.92%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-110.3126.6172.1-175.90000108.5M1 K2 E3 Y4 R41 E43M1-V52 HydrophobicContact CB-CG2 4.16Å; M1-V52 HydrophobicContact CG-CG2 3.89Å; M1-V52 HydrophobicContact SD-CG2 3.44Å; M1-V52 WeakPolarHBondContact SD-CG2 3.49Å; K2-V52 PolarHBondContact O-N 2.93Å; E3-V52 CarbonylContact C-O 3.59Å; E3-V52 WeakPolarHBondContact CA-O 3.27Å; E3-V52 HydrophobicContact CG-CB 4.11Å; E3-V52 HydrophobicContact CG-CG2 4.41Å; Y4-V52 PolarHBondContact N-O 3.42Å; R41-V52 HydrophobicContact CG-CG1 3.71Å; E43-V52 HydrophobicContact CG-CG2 4.35Å
53L97.8Very high89.9Confident0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-102124.9172.2-83.860.1000109.1Y4 F23 R41 K42 I44 I55 F157 V161Y4-L53 HydrophobicContact CD2-CD1 4.41Å; Y4-L53 WeakPolarHBondContact O-CA 3.03Å; F23-L53 HydrophobicContact CE1-CD2 4.25Å; F23-L53 HydrophobicContact CZ-CD2 4.33Å; R41-L53 VanDerWaalsContact CA-O 3.27Å; R41-L53 WeakPolarHBondContact CA-O 3.46Å; K42-L53 PolarHBondContact N-O 3.26Å; K42-L53 PolarHBondContact O-N 3.08Å; I44-L53 HydrophobicContact CD1-CD1 3.42Å; I44-L53 VanDerWaalsContact CD1-CD1 3.42Å; I44-L53 HydrophobicContact CD1-CD2 3.8Å; I44-L53 HydrophobicContact CD1-CG 4.23Å; I44-L53 HydrophobicContact CG1-CD1 3.64Å; L53-I55 HydrophobicContact CB-CG1 4.16Å; L53-F157 HydrophobicContact CD2-CB 4.05Å; L53-F157 HydrophobicContact CD2-CD1 4.28Å; L53-V161 HydrophobicContact CD1-CG2 3.55Å; L53-V161 HydrophobicContact CD2-CG2 3.92Å; L53-V161 HydrophobicContact CG-CG2 3.95Å
54E98Very high88.5Confident60 Ų6048.8 Ų48.828%0.2827%0.267SS..EExtended strand (participates in β ladder)trans-98.3110.4163.1-60.9-173.4155.800107.3Y4 K5 V6 Y40 R41Y4-E54 PolarHBondContact O-N 3.5Å; K5-E54 CarbonylContact C-O 3.58Å; K5-E54 WeakPolarHBondContact CA-O 3.42Å; K5-E54 WeakPolarHBondContact CE-OE2 3.44Å; K5-E54 HydrophobicContact CG-CB 4.42Å; V6-E54 PolarHBondContact N-O 3.48Å; Y40-E54 CarbonylContact O-C 3.59Å; Y40-E54 WeakPolarHBondContact O-CA 3.12Å; R41-E54 HydrophobicContact CG-CG 4.48Å
55I98.2Very high87.1Confident1 Ų149 Ų491%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-105.3120.9-176.2-53.3165.2000108V6 V8 T20 F23 V24 Y40 L53 F157V6-I55 WeakPolarHBondContact O-CA 3.28Å; V8-I55 HydrophobicContact CG2-CG2 3.74Å; T20-I55 HydrophobicContact CG2-CB 4.25Å; T20-I55 HydrophobicContact CG2-CD1 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.72Å; F23-I55 HydrophobicContact CD1-CD1 3.64Å; F23-I55 HydrophobicContact CE1-CD1 3.76Å; V24-I55 HydrophobicContact CG2-CD1 4.29Å; Y40-I55 PolarHBondContact N-O 3.21Å; Y40-I55 PolarHBondContact O-N 3.03Å; L53-I55 HydrophobicContact CB-CG1 4.16Å; I55-F157 HydrophobicContact CD1-CD1 3.86Å; I55-F157 HydrophobicContact CD1-CE1 3.62Å; I55-F157 HydrophobicContact CD1-CZ 4.36Å; I55-F157 HydrophobicContact CG1-CD1 4.43Å; I55-F157 HydrophobicContact CG1-CE1 4.19Å; I55-F157 HydrophobicContact CG2-CE1 4.18Å
56L96.7Very high86Confident14 Ų1447.4 Ų47.47%0.07328%0.277CS..EExtended strand (participates in β ladder)trans-96.1107.3168.2176.656.8000108.9V6 V7 V8 E37 F39 T58 Y71V6-L56 PolarHBondContact O-N 2.8Å; V7-L56 HydrophobicContact CG1-CB 4.5Å; V7-L56 HydrophobicContact CG1-CD2 4.26Å; V7-L56 HydrophobicContact CG1-CG 4.4Å; V7-L56 HydrophobicContact CG2-CB 4.39Å; V7-L56 HydrophobicContact CG2-CD2 4.35Å; V8-L56 PolarHBondContact N-O 2.79Å; E37-L56 HydrophobicContact CB-CD1 4.2Å; F39-L56 HydrophobicContact CD1-CB 4.48Å; F39-L56 HydrophobicContact CD1-CD1 4.01Å; F39-L56 HydrophobicContact CD2-CD1 4.36Å; F39-L56 HydrophobicContact CE1-CB 4.29Å; F39-L56 HydrophobicContact CE1-CD1 3.62Å; F39-L56 HydrophobicContact CE1-CD2 4.35Å; F39-L56 HydrophobicContact CE1-CG 4.3Å; F39-L56 HydrophobicContact CE2-CD1 3.99Å; F39-L56 HydrophobicContact CG-CD1 4.37Å; F39-L56 HydrophobicContact CZ-CD1 3.61Å; F39-L56 HydrophobicContact CZ-CD2 4.5Å; L56-T58 HydrophobicContact CD2-CG2 4.33Å; L56-T58 HydrophobicContact CG-CG2 3.91Å; L56-Y71 HydrophobicContact CD2-CD1 3.43Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.43Å; L56-Y71 HydrophobicContact CD2-CD2 4.38Å; L56-Y71 HydrophobicContact CD2-CE1 4.05Å; L56-Y71 HydrophobicContact CD2-CG 3.61Å
57D93.3Very high85.2Confident0 Ų051 Ų510%029%0.294CS..EExtended strand (participates in β ladder)trans-83.2134.5166.2-175.232.4000109.3K16 S17 E37 D38 Y40K16-D57 VanDerWaalsContact CB-OD1 3.24Å; K16-D57 WeakPolarHBondContact CB-OD1 3.45Å; S17-D57 WeakPolarHBondContact CA-OD2 3.38Å; S17-D57 WeakPolarHBondContact CB-OD2 3.48Å; S17-D57 PolarHBondContact N-OD1 3.39Å; S17-D57 PolarHBondContact OG-OD2 2.94Å; E37-D57 WeakPolarHBondContact CA-O 3.45Å; D38-D57 HydrophobicContact CB-CB 4.35Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 2.97Å; Y40-D57 HydrophobicContact CE2-CB 4.1Å
58T89.9Confident84.7Confident4 Ų447.3 Ų47.33%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-121.7154.1-169.865.60000112V7 V8 L9 K16 L56 G60 Y71V7-T58 HydrophobicContact CG1-CG2 3.8Å; V8-T58 PolarHBondContact O-OG1 3.13Å; L9-T58 HydrophobicContact CD2-CG2 4.11Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; L56-T58 HydrophobicContact CD2-CG2 4.33Å; L56-T58 HydrophobicContact CG-CG2 3.91Å; T58-G60 PolarHBondContact O-N 3.03Å; T58-Y71 HydrophobicContact CG2-CD2 3.97Å; T58-Y71 HydrophobicContact CG2-CE2 4.33Å
59A84.5Confident84.6Confident11 Ų1145.7 Ų45.79%0.09126%0.256CS..  trans-56.7136.1166.800000111.3T35 I36 T61 F64T35-A59 WeakPolarHBondContact O-CA 3.41Å; T35-A59 WeakPolarHBondContact O-CB 3.32Å; I36-A59 VanDerWaalsContact O-CB 3.31Å; I36-A59 WeakPolarHBondContact O-CB 3.45Å; I36-A59 PolarHBondContact O-N 3.41Å; A59-T61 VanDerWaalsContact C-N 3.28Å; A59-F64 HydrophobicContact CB-CB 4.27Å; A59-F64 HydrophobicContact CB-CD2 3.44Å; A59-F64 VanDerWaalsContact CB-CD2 3.44Å; A59-F64 HydrophobicContact CB-CE2 4.1Å; A59-F64 HydrophobicContact CB-CG 4.12Å
60G72.1Confident84.4Confident15 Ų1547.2 Ų47.216%0.15526%0.259CS..  trans-87.19.2170.800000114.4G10 S11 G12 T58G10-G60 VanDerWaalsContact O-CA 3.31Å; G10-G60 WeakPolarHBondContact O-CA 3.45Å; S11-G60 CarbonylContact C-O 3.56Å; G12-G60 PolarHBondContact N-O 3.04Å; T58-G60 PolarHBondContact O-N 3.03Å
61T71Confident84.1Confident52 Ų5244.4 Ų44.432%0.31924%0.239SC..SBendtrans-101.7145.4-176.362.60000111.2A59 Q63 F64A59-T61 VanDerWaalsContact C-N 3.28Å; T61-Q63 PolarHBondContact O-N 3.23Å; T61-F64 PolarHBondContact O-N 3.02Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.08Å
62E67.3Low84Confident127 Ų12744.3 Ų44.359%0.59324%0.238SC*.G310 helixtrans-66.6-15.1178.8-70-62.8113.900113.3F64 A65 R68E62-F64 PolarHBondContact O-N 3.37Å; E62-F64 VanDerWaalsContact O-N 3.16Å; E62-A65 WeakPolarHBondContact O-CB 3.45Å; E62-A65 PolarHBondContact O-N 3.44Å; E62-A65 VanDerWaalsContact O-N 3.08Å; E62-R68 IonicContact OE1-CZ 3.71Å; E62-R68 IonicContact OE1-NH1 3.72Å; E62-R68 IonicContact OE1-NH2 3.65Å; E62-R68 PolarHBondContact OE1-NH2 3.2Å
63Q65.3Low83.7Confident164 Ų16451.2 Ų51.277%0.76627%0.268SS*.G310 helixtrans-61.1-23.6177.9-68.4166.7-9.400113.1T61T61-Q63 PolarHBondContact O-N 3.23Å
64F67.6Low83.5Confident58 Ų5855.7 Ų55.725%0.25429%0.292SS..G310 helixtrans-107.516.6178.3-58.3-77.2000113.1I36 A59 T61 E62 S66 M67I36-F64 HydrophobicContact CB-CZ 4.44Å; I36-F64 HydrophobicContact CD1-CZ 4.48Å; I36-F64 HydrophobicContact CG1-CE2 4.42Å; I36-F64 HydrophobicContact CG1-CZ 4.03Å; I36-F64 HydrophobicContact CG2-CD1 4.3Å; I36-F64 HydrophobicContact CG2-CE1 3.8Å; I36-F64 HydrophobicContact CG2-CE2 4.48Å; I36-F64 HydrophobicContact CG2-CZ 3.9Å; A59-F64 HydrophobicContact CB-CB 4.27Å; A59-F64 HydrophobicContact CB-CD2 3.44Å; A59-F64 VanDerWaalsContact CB-CD2 3.44Å; A59-F64 HydrophobicContact CB-CE2 4.1Å; A59-F64 HydrophobicContact CB-CG 4.12Å; T61-F64 PolarHBondContact O-N 3.02Å; T61-F64 WeakPolarHBondContact OG1-CD2 3.08Å; E62-F64 PolarHBondContact O-N 3.37Å; E62-F64 VanDerWaalsContact O-N 3.16Å; F64-S66 PolarHBondContact O-N 3.41Å; F64-S66 VanDerWaalsContact O-N 3.12Å; F64-M67 HydrophobicContact CD1-SD 4.23Å; F64-M67 PolarHBondContact O-N 3.47Å
65A67Low83.3Confident32 Ų3252.9 Ų52.926%0.26428%0.279SS..Hα-helixtrans-57.8-28.4-178.100000113.6E62 M67 R68E62-A65 WeakPolarHBondContact O-CB 3.45Å; E62-A65 PolarHBondContact O-N 3.44Å; E62-A65 VanDerWaalsContact O-N 3.08Å; A65-M67 VanDerWaalsContact C-N 3.3Å; A65-M67 PolarHBondContact O-N 2.93Å; A65-R68 VanDerWaalsContact O-CB 3.26Å; A65-R68 WeakPolarHBondContact O-CB 3.44Å; A65-R68 PolarHBondContact O-N 2.72Å
66S72.4Confident83.2Confident107 Ų10757.3 Ų57.375%0.74830%0.3SS*.Hα-helixtrans-66.6-27.2176.656.10000113.7F64F64-S66 PolarHBondContact O-N 3.41Å; F64-S66 VanDerWaalsContact O-N 3.12Å
67M79.4Confident83.3Confident81 Ų8156.6 Ų56.640%0.39930%0.296SS..Hα-helixtrans-83.8-20.1176.4-61.6-179.9171.100112.2F64 A65 D69 L70 Y71F64-M67 HydrophobicContact CD1-SD 4.23Å; F64-M67 PolarHBondContact O-N 3.47Å; A65-M67 VanDerWaalsContact C-N 3.3Å; A65-M67 PolarHBondContact O-N 2.93Å; M67-D69 VanDerWaalsContact C-N 3.32Å; M67-D69 PolarHBondContact O-N 3.06Å; M67-L70 WeakPolarHBondContact O-CB 3.31Å; M67-L70 PolarHBondContact O-N 3.25Å; M67-Y71 HydrophobicContact CB-CD2 4.43Å; M67-Y71 HydrophobicContact CB-CE1 4.29Å; M67-Y71 HydrophobicContact CB-CE2 3.6Å; M67-Y71 WeakPolarHBondContact CB-OH 3.35Å; M67-Y71 WeakPolarHBondContact O-CD2 3.29Å; M67-Y71 PolarHBondContact O-N 3.13Å; M67-Y71 VanDerWaalsContact O-N 3.16Å; M67-Y71 PolarHBondContact SD-OH 3.32Å; M67-Y71 VanDerWaalsContact SD-OH 3.37Å
68R83.4Confident83.5Confident22 Ų2256.6 Ų56.68%0.08330%0.296CS..Hα-helixtrans-58.5-40.5-176.1-162.9-178.9-71.6169.32.6112.6L9 E62 A65 L70 Y71 I72 Q99L9-R68 HydrophobicContact CD2-CG 4.29Å; E62-R68 IonicContact OE1-CZ 3.71Å; E62-R68 IonicContact OE1-NH1 3.72Å; E62-R68 IonicContact OE1-NH2 3.65Å; E62-R68 PolarHBondContact OE1-NH2 3.2Å; A65-R68 VanDerWaalsContact O-CB 3.26Å; A65-R68 WeakPolarHBondContact O-CB 3.44Å; A65-R68 PolarHBondContact O-N 2.72Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 2.81Å; R68-Y71 PolarHBondContact O-N 3.46Å; R68-I72 HydrophobicContact CG-CD1 3.88Å; R68-I72 HydrophobicContact CG-CG1 4.44Å; R68-I72 WeakPolarHBondContact O-CB 3.41Å; R68-I72 WeakPolarHBondContact O-CG1 2.95Å; R68-I72 PolarHBondContact O-N 3.1Å; R68-Q99 VanDerWaalsContact CD-OE1 3.23Å
69D89.1Confident83.9Confident65 Ų6556.4 Ų56.435%0.34830%0.295SS..Hα-helixtrans-63.5-33.8177.3-82.19.3000112.2M67 K73 Q99 R102 V103M67-D69 VanDerWaalsContact C-N 3.32Å; M67-D69 PolarHBondContact O-N 3.06Å; D69-K73 WeakPolarHBondContact O-CB 3.07Å; D69-K73 PolarHBondContact O-N 2.83Å; D69-Q99 PolarHBondContact OD1-NE2 3.28Å; D69-R102 IonicContact OD1-NH2 3.81Å; D69-V103 HydrophobicContact CB-CG2 4.38Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.3Å
70L89.6Confident84.6Confident97 Ų9755.9 Ų55.951%0.50829%0.291SS..Hα-helixtrans-69.4-45.9176.8-178.363.4000111.2M67 R68 I72 K73 N74M67-L70 WeakPolarHBondContact O-CB 3.31Å; M67-L70 PolarHBondContact O-N 3.25Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 2.81Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.37Å; L70-K73 PolarHBondContact O-N 3.4Å; L70-N74 PolarHBondContact O-N 2.99Å; L70-N74 PolarHBondContact O-ND2 3.38Å
71Y90.6Very high85.8Confident18 Ų1855.2 Ų55.27%0.07128%0.283CS..Hα-helixtrans-60.8-45.1176.2-52.2-34.3000111.1E37 L56 T58 M67 R68 N74 G75E37-Y71 WeakPolarHBondContact OE2-CE1 3.36Å; E37-Y71 PolarHBondContact OE2-OH 2.91Å; L56-Y71 HydrophobicContact CD2-CD1 3.43Å; L56-Y71 VanDerWaalsContact CD2-CD1 3.43Å; L56-Y71 HydrophobicContact CD2-CD2 4.38Å; L56-Y71 HydrophobicContact CD2-CE1 4.05Å; L56-Y71 HydrophobicContact CD2-CG 3.61Å; T58-Y71 HydrophobicContact CG2-CD2 3.97Å; T58-Y71 HydrophobicContact CG2-CE2 4.33Å; M67-Y71 HydrophobicContact CB-CD2 4.43Å; M67-Y71 HydrophobicContact CB-CE1 4.29Å; M67-Y71 HydrophobicContact CB-CE2 3.6Å; M67-Y71 WeakPolarHBondContact CB-OH 3.35Å; M67-Y71 WeakPolarHBondContact O-CD2 3.29Å; M67-Y71 PolarHBondContact O-N 3.13Å; M67-Y71 VanDerWaalsContact O-N 3.16Å; M67-Y71 PolarHBondContact SD-OH 3.32Å; M67-Y71 VanDerWaalsContact SD-OH 3.37Å; R68-Y71 PolarHBondContact O-N 3.46Å; Y71-N74 PolarHBondContact O-N 3.14Å; Y71-G75 PolarHBondContact O-N 3.2Å
72I92.8Very high87.1Confident0 Ų052.7 Ų52.70%027%0.268CS..Hα-helixtrans-63.6-43.3176.5-66.4167.7000111L9 R68 L70 N74 F78 Q99 I100 V103 K104L9-I72 HydrophobicContact CD1-CG1 4.25Å; R68-I72 HydrophobicContact CG-CD1 3.88Å; R68-I72 HydrophobicContact CG-CG1 4.44Å; R68-I72 WeakPolarHBondContact O-CB 3.41Å; R68-I72 WeakPolarHBondContact O-CG1 2.95Å; R68-I72 PolarHBondContact O-N 3.1Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.37Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 2.97Å; I72-F78 HydrophobicContact CB-CE1 4.25Å; I72-F78 HydrophobicContact CB-CZ 4.45Å; I72-F78 HydrophobicContact CG1-CE1 4.12Å; I72-F78 HydrophobicContact CG2-CE1 4.23Å; I72-F78 HydrophobicContact CG2-CZ 4.06Å; I72-F78 WeakPolarHBondContact O-CZ 3.5Å; I72-Q99 HydrophobicContact CD1-CB 4.47Å; I72-Q99 HydrophobicContact CD1-CG 3.87Å; I72-I100 HydrophobicContact CD1-CG1 3.9Å; I72-I100 HydrophobicContact CG1-CG1 4.04Å; I72-I100 HydrophobicContact CG2-CB 4.39Å; I72-I100 HydrophobicContact CG2-CG1 4.33Å; I72-I100 HydrophobicContact CG2-CG2 4.4Å; I72-V103 HydrophobicContact CB-CB 4.33Å; I72-V103 HydrophobicContact CB-CG1 4.06Å; I72-V103 HydrophobicContact CG2-CB 3.58Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.3Å; I72-K104 HydrophobicContact CG2-CG 4.28Å; I72-K104 WeakPolarHBondContact O-CE 3.47Å; I72-K104 PolarHBondContact O-NZ 3.02Å
73K92.5Very high88.6Confident147 Ų14746.8 Ų46.864%0.63924%0.241SC*.Hα-helixtrans-58.5-42.4178-173.4177.3-179.6-177.20111.3D69 L70 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.07Å; D69-K73 PolarHBondContact O-N 2.83Å; L70-K73 PolarHBondContact O-N 3.4Å; K73-V103 HydrophobicContact CB-CG1 4.16Å; K73-K104 PolarHBondContact O-NZ 2.86Å
74N92.3Very high90.2Very high94 Ų9439 Ų3950%0.50321%0.205SC..Hα-helixtrans-87.1-26.2-174.1-65.3-23.7000115L70 Y71 I72L70-N74 PolarHBondContact O-N 2.99Å; L70-N74 PolarHBondContact O-ND2 3.38Å; Y71-N74 PolarHBondContact O-N 3.14Å; I72-N74 VanDerWaalsContact C-N 3.27Å; I72-N74 PolarHBondContact O-N 2.97Å
75G95.4Very high91.7Very high2 Ų237.4 Ų37.42%0.02120%0.199CC..  trans-70.3141.5-178.800000113.3Y71 K104Y71-G75 PolarHBondContact O-N 3.2Å; G75-K104 WeakPolarHBondContact O-CE 3.1Å; G75-K104 PolarHBondContact O-NZ 2.88Å
76Q96.1Very high93.2Very high93 Ų9338.9 Ų38.944%0.43520%0.203SC..SBendtrans-94-30.9177.2-68.5170-55.700112.4K5 P110 M164K5-Q76 HydrophobicContact CB-CB 4.49Å; K5-Q76 HydrophobicContact CB-CG 4.28Å; K5-Q76 WeakPolarHBondContact O-CA 3.36Å; K5-Q76 WeakPolarHBondContact O-CB 3.19Å; K5-Q76 PolarHBondContact O-N 3.38Å; Q76-P110 WeakPolarHBondContact O-CG 3.43Å; Q76-M164 VanDerWaalsContact C-SD 3.59Å; Q76-M164 HydrophobicContact CB-CG 4.46Å; Q76-M164 HydrophobicContact CB-SD 3.57Å; Q76-M164 VanDerWaalsContact CB-SD 3.57Å
77G97.4Very high94.4Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-136.2151.6175.600000112.4K5 V6 V7 P110 M164K5-G77 PolarHBondContact O-N 3.42Å; K5-G77 VanDerWaalsContact O-N 3.09Å; V6-G77 WeakPolarHBondContact CA-O 3.49Å; V7-G77 PolarHBondContact N-O 2.96Å; G77-P110 WeakPolarHBondContact CA-O 3.2Å; G77-M164 PolarHBondContact N-SD 3.5Å; G77-M164 VanDerWaalsContact N-SD 3.39Å
78F97.9Very high95.3Very high0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans-124.3126.1-173.1-61.1-81.2000111.5V7 L9 I72 I100 K104 V109 P110 L111 I112V7-F78 HydrophobicContact CB-CD1 4Å; V7-F78 HydrophobicContact CB-CE1 4.01Å; V7-F78 HydrophobicContact CG2-CE1 4.08Å; V7-F78 WeakPolarHBondContact O-CA 3.39Å; L9-F78 HydrophobicContact CD1-CD1 3.95Å; I72-F78 HydrophobicContact CB-CE1 4.25Å; I72-F78 HydrophobicContact CB-CZ 4.45Å; I72-F78 HydrophobicContact CG1-CE1 4.12Å; I72-F78 HydrophobicContact CG2-CE1 4.23Å; I72-F78 HydrophobicContact CG2-CZ 4.06Å; I72-F78 WeakPolarHBondContact O-CZ 3.5Å; F78-I100 HydrophobicContact CB-CD1 3.95Å; F78-I100 HydrophobicContact CD1-CD1 3.99Å; F78-I100 HydrophobicContact CD1-CG1 4.15Å; F78-I100 HydrophobicContact CD1-CG2 4.48Å; F78-I100 HydrophobicContact CD2-CG2 3.77Å; F78-I100 HydrophobicContact CE2-CG2 3.95Å; F78-I100 HydrophobicContact CG-CD1 3.92Å; F78-I100 HydrophobicContact CG-CG1 4.32Å; F78-I100 HydrophobicContact CG-CG2 4.06Å; F78-I100 HydrophobicContact CZ-CG2 4.4Å; F78-K104 HydrophobicContact CE2-CG 4.25Å; F78-V109 HydrophobicContact CD2-CG1 3.47Å; F78-V109 VanDerWaalsContact CD2-CG1 3.47Å; F78-V109 HydrophobicContact CE2-CG1 3.66Å; F78-P110 PolarHBondContact N-O 2.95Å; F78-L111 HydrophobicContact CB-CG 4.5Å; F78-L111 CarbonylContact O-C 3.41Å; F78-L111 VanDerWaalsContact O-CA 3.29Å; F78-L111 WeakPolarHBondContact O-CA 3.22Å; F78-I112 PolarHBondContact O-N 2.92Å
79I98.6Very high96Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-102.8113.5170.4-60.2176.7000107.3V6 V7 V8 L9 V81 I112 V114 L156 F157 I160V6-I79 HydrophobicContact CG1-CD1 3.63Å; V6-I79 HydrophobicContact CG1-CG1 3.78Å; V7-I79 PolarHBondContact O-N 3.09Å; V8-I79 HydrophobicContact CG1-CB 4.37Å; V8-I79 HydrophobicContact CG1-CG2 4.34Å; V8-I79 HydrophobicContact CG2-CB 4.47Å; V8-I79 HydrophobicContact CG2-CD1 4.37Å; L9-I79 PolarHBondContact N-O 3.45Å; I79-V81 HydrophobicContact CG2-CG2 3.69Å; I79-I112 HydrophobicContact CB-CG2 4.19Å; I79-I112 HydrophobicContact CG1-CG2 3.75Å; I79-I112 HydrophobicContact CG2-CG2 4.2Å; I79-V114 HydrophobicContact CG2-CB 4.48Å; I79-V114 HydrophobicContact CG2-CG2 3.66Å; I79-L156 HydrophobicContact CD1-CD1 4.12Å; I79-L156 HydrophobicContact CD1-CG 4.17Å; I79-L156 HydrophobicContact CG1-CD1 4.3Å; I79-L156 HydrophobicContact CG2-CD1 3.95Å; I79-L156 HydrophobicContact CG2-CD2 4.22Å; I79-F157 HydrophobicContact CD1-CD1 3.85Å; I79-F157 HydrophobicContact CD1-CE1 3.65Å; I79-F157 HydrophobicContact CD1-CZ 4.3Å; I79-I160 HydrophobicContact CD1-CG2 4.2Å; I79-I160 HydrophobicContact CG1-CB 4.34Å; I79-I160 HydrophobicContact CG1-CG1 4.23Å; I79-I160 HydrophobicContact CG1-CG2 4.44Å
80L98.1Very high96.4Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-97.7108.1176.7-74.9-178.6000110.1L9 I93 M96 R97 I100 L111 I112 L113 V114 W138L9-L80 HydrophobicContact CB-CD2 3.83Å; L80-I93 HydrophobicContact CB-CD1 4.48Å; L80-I93 HydrophobicContact CB-CG2 3.77Å; L80-I93 HydrophobicContact CD1-CG2 3.6Å; L80-I93 HydrophobicContact CD2-CG2 4.34Å; L80-I93 HydrophobicContact CG-CG2 4.11Å; L80-M96 HydrophobicContact CD2-CB 4.05Å; L80-R97 HydrophobicContact CD1-CB 3.75Å; L80-R97 HydrophobicContact CD1-CG 4.35Å; L80-I100 HydrophobicContact CD1-CD1 4.2Å; L80-I100 HydrophobicContact CD2-CD1 3.86Å; L80-I100 HydrophobicContact CG-CD1 4.21Å; L80-L111 HydrophobicContact CD1-CD1 3.7Å; L80-L111 HydrophobicContact CD1-CD2 4.25Å; L80-L111 HydrophobicContact CD1-CG 4.22Å; L80-L111 HydrophobicContact CG-CD1 4.33Å; L80-I112 PolarHBondContact N-O 2.82Å; L80-L113 HydrophobicContact CB-CD1 4.39Å; L80-V114 PolarHBondContact O-N 2.87Å; L80-W138 HydrophobicContact CD1-CZ3 4.11Å
81V98.6Very high96.8Very high0 Ų035.2 Ų35.20%017%0.169CC..EExtended strand (participates in β ladder)trans-105.4124.4-174.1-169.20000110.6V8 L9 G10 V14 K16 L19 I79 I93 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.69Å; L9-V81 PolarHBondContact O-N 3.12Å; G10-V81 VanDerWaalsContact CA-O 3.31Å; G10-V81 WeakPolarHBondContact CA-O 3.45Å; V14-V81 HydrophobicContact CB-CG1 4.29Å; V14-V81 HydrophobicContact CG2-CB 4.01Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; V14-V81 WeakPolarHBondContact CG2-O 3.47Å; K16-V81 HydrophobicContact CG-CB 4.27Å; K16-V81 HydrophobicContact CG-CG2 4.37Å; L19-V81 HydrophobicContact CD1-CG1 3.94Å; L19-V81 HydrophobicContact CD1-CG2 4.12Å; I79-V81 HydrophobicContact CG2-CG2 3.69Å; V81-I93 WeakPolarHBondContact O-CD1 3.34Å; V81-V114 WeakPolarHBondContact CA-O 3.38Å; V81-V114 HydrophobicContact CG1-CG1 4.38Å; V81-V114 HydrophobicContact CG2-CB 4.3Å; V81-N116 HydrophobicContact CG1-CB 3.79Å
82Y98.7Very high97Very high0 Ų036.6 Ų36.60%018%0.178CC..EExtended strand (participates in β ladder)trans-117.2169.1162.171.4-83.2000110.3L84 S89 F90 I93 L113 V114 N116 V126 F142Y82-L84 HydrophobicContact CE2-CD2 3.77Å; Y82-S89 WeakPolarHBondContact CB-O 3.5Å; Y82-F90 AromaticContact CD1-CD2 3.85Å; Y82-F90 HydrophobicContact CD1-CD2 3.85Å; Y82-F90 HydrophobicContact CD2-CB 3.75Å; Y82-F90 AromaticContact CD2-CD2 3.72Å; Y82-F90 HydrophobicContact CD2-CD2 3.72Å; Y82-F90 HydrophobicContact CD2-CG 4.16Å; Y82-F90 AromaticContact CE1-CD2 3.71Å; Y82-F90 HydrophobicContact CE1-CD2 3.71Å; Y82-F90 AromaticContact CE1-CE2 4Å; Y82-F90 HydrophobicContact CE1-CE2 4Å; Y82-F90 HydrophobicContact CE2-CB 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.56Å; Y82-F90 HydrophobicContact CE2-CD2 3.56Å; Y82-F90 HydrophobicContact CE2-CE2 4.27Å; Y82-F90 HydrophobicContact CE2-CG 4.18Å; Y82-F90 HydrophobicContact CG-CB 4.18Å; Y82-F90 AromaticContact CG-CD2 3.86Å; Y82-F90 HydrophobicContact CG-CD2 3.86Å; Y82-F90 AromaticContact CZ-CD2 3.57Å; Y82-F90 AromaticContact CZ-CE2 3.87Å; Y82-I93 HydrophobicContact CD1-CG1 4.34Å; Y82-I93 HydrophobicContact CG-CG1 4.45Å; Y82-L113 HydrophobicContact CD1-CD1 3.82Å; Y82-L113 HydrophobicContact CE1-CD1 3.85Å; Y82-L113 HydrophobicContact CE1-CD2 4.42Å; Y82-L113 HydrophobicContact CE1-CG 4.05Å; Y82-V114 WeakPolarHBondContact CD1-O 3.35Å; Y82-V114 WeakPolarHBondContact CE1-O 3.31Å; Y82-V114 PolarHBondContact N-O 2.9Å; Y82-N116 PolarHBondContact O-N 3.01Å; Y82-V126 HydrophobicContact CD2-CG2 4.35Å; Y82-V126 HydrophobicContact CE2-CB 3.96Å; Y82-V126 HydrophobicContact CE2-CG1 3.7Å; Y82-V126 HydrophobicContact CE2-CG2 4.11Å; Y82-F142 HydrophobicContact CE1-CE2 4.02Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.31Å; Y82-F142 WeakPolarHBondContact OH-CZ 3.39Å
83S98.5Very high97.2Very high2 Ų236.6 Ų36.61%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-102.7129.7176.91710000109.7V85 N86 S89S83-V85 PolarHBondContact O-N 3.42Å; S83-V85 VanDerWaalsContact OG-CG2 3.22Å; S83-V85 WeakPolarHBondContact OG-CG2 3.3Å; S83-V85 PolarHBondContact OG-N 3.43Å; S83-N86 PolarHBondContact O-N 2.91Å; S83-N86 VanDerWaalsContact O-N 3.08Å; S83-S89 PolarHBondContact N-OG 2.84Å; S83-S89 PolarHBondContact O-OG 2.62Å
84L98.7Very high97.3Very high2 Ų234.6 Ų34.61%0.0117%0.166CC..THydrogen-bonded Turntrans-62.5-22.2177.4-67.2171.9000112.9Y82 N116 V118 E125 V126 E144Y82-L84 HydrophobicContact CE2-CD2 3.77Å; L84-N116 WeakPolarHBondContact CG-O 3.42Å; L84-N116 PolarHBondContact N-O 2.98Å; L84-V118 HydrophobicContact CD1-CB 3.77Å; L84-V118 HydrophobicContact CD1-CG2 4.08Å; L84-E125 PolarHBondContact O-N 3.21Å; L84-V126 HydrophobicContact CD2-CB 4.46Å; L84-V126 PolarHBondContact O-N 3.04Å; L84-E144 HydrophobicContact CD1-CB 4.36Å; L84-E144 HydrophobicContact CD1-CG 4.13Å; L84-E144 HydrophobicContact CD2-CG 4.43Å
85V98.5Very high97.4Very high23 Ų2334 Ų3414%0.13917%0.168CC..THydrogen-bonded Turntrans-100.122.4177.5-52.10000113S83 K117 L120 E123S83-V85 PolarHBondContact O-N 3.42Å; S83-V85 VanDerWaalsContact OG-CG2 3.22Å; S83-V85 WeakPolarHBondContact OG-CG2 3.3Å; S83-V85 PolarHBondContact OG-N 3.43Å; V85-K117 HydrophobicContact CG2-CD 4.03Å; V85-L120 HydrophobicContact CG1-CB 3.58Å; V85-L120 HydrophobicContact CG1-CD1 4.21Å; V85-L120 HydrophobicContact CG2-CD1 4.09Å; V85-E123 WeakPolarHBondContact CA-O 3.45Å; V85-E123 HydrophobicContact CB-CB 4.09Å; V85-E123 WeakPolarHBondContact CB-O 3.21Å; V85-E123 HydrophobicContact CG1-CB 3.65Å; V85-E123 WeakPolarHBondContact CG1-O 3.45Å
86N98.1Very high97.3Very high64 Ų6434.4 Ų34.434%0.34217%0.169SC..  trans-15198.6176.4-177-37.1000110.4S83 Q88 S89 E125S83-N86 PolarHBondContact O-N 2.91Å; S83-N86 VanDerWaalsContact O-N 3.08Å; N86-Q88 VanDerWaalsContact C-N 3.29Å; N86-Q88 PolarHBondContact O-N 2.94Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 PolarHBondContact OD1-N 2.98Å; N86-Q88 VanDerWaalsContact OD1-N 3.08Å; N86-S89 PolarHBondContact O-N 3.32Å; N86-S89 PolarHBondContact O-OG 3.02Å; N86-S89 PolarHBondContact OD1-N 2.85Å; N86-E125 WeakPolarHBondContact CA-OE2 3.27Å
87Q98.3Very high97.3Very high63 Ų6333.3 Ų33.329%0.29416%0.161SC..Hα-helixtrans-59.2-37.2-179.5-174.764.536.600112.8S89 F90 Q91 E125Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 2.86Å; Q87-F90 WeakPolarHBondContact O-CB 3.32Å; Q87-F90 PolarHBondContact O-N 2.8Å; Q87-Q91 PolarHBondContact O-N 3.09Å; Q87-E125 HydrophobicContact CB-CB 4.29Å; Q87-E125 PolarHBondContact N-OE2 3.42Å; Q87-E125 PolarHBondContact OE1-O 3.07Å
88Q97.8Very high97.1Very high102 Ų10237.4 Ų37.448%0.47718%0.182SC..Hα-helixtrans-61.5-42.5178.8-173.760.95600110.7N86 F90 Q91 D92N86-Q88 VanDerWaalsContact C-N 3.29Å; N86-Q88 PolarHBondContact O-N 2.94Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 PolarHBondContact OD1-N 2.98Å; N86-Q88 VanDerWaalsContact OD1-N 3.08Å; Q88-F90 PolarHBondContact O-N 2.91Å; Q88-Q91 WeakPolarHBondContact O-CB 3.39Å; Q88-Q91 PolarHBondContact O-N 3.39Å; Q88-D92 PolarHBondContact NE2-OD1 2.98Å; Q88-D92 PolarHBondContact O-N 3.24Å
89S97.9Very high96.8Very high1 Ų138.8 Ų38.81%0.00719%0.189CC..Hα-helixtrans-61-28.9178.776.50000113.3Y82 S83 N86 Q87 I93Y82-S89 WeakPolarHBondContact CB-O 3.5Å; S83-S89 PolarHBondContact N-OG 2.84Å; S83-S89 PolarHBondContact O-OG 2.62Å; N86-S89 PolarHBondContact O-N 3.32Å; N86-S89 PolarHBondContact O-OG 3.02Å; N86-S89 PolarHBondContact OD1-N 2.85Å; Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 2.86Å; S89-I93 WeakPolarHBondContact O-CG1 3.37Å
90F98.5Very high96.6Very high27 Ų2738.8 Ų38.812%0.11819%0.189CC..Hα-helixtrans-73.6-40.4174-179.4-115.7000112Y82 Q87 Q88 D92 I93 V126 D130 L134Y82-F90 AromaticContact CD1-CD2 3.85Å; Y82-F90 HydrophobicContact CD1-CD2 3.85Å; Y82-F90 HydrophobicContact CD2-CB 3.75Å; Y82-F90 AromaticContact CD2-CD2 3.72Å; Y82-F90 HydrophobicContact CD2-CD2 3.72Å; Y82-F90 HydrophobicContact CD2-CG 4.16Å; Y82-F90 AromaticContact CE1-CD2 3.71Å; Y82-F90 HydrophobicContact CE1-CD2 3.71Å; Y82-F90 AromaticContact CE1-CE2 4Å; Y82-F90 HydrophobicContact CE1-CE2 4Å; Y82-F90 HydrophobicContact CE2-CB 4.2Å; Y82-F90 AromaticContact CE2-CD2 3.56Å; Y82-F90 HydrophobicContact CE2-CD2 3.56Å; Y82-F90 HydrophobicContact CE2-CE2 4.27Å; Y82-F90 HydrophobicContact CE2-CG 4.18Å; Y82-F90 HydrophobicContact CG-CB 4.18Å; Y82-F90 AromaticContact CG-CD2 3.86Å; Y82-F90 HydrophobicContact CG-CD2 3.86Å; Y82-F90 AromaticContact CZ-CD2 3.57Å; Y82-F90 AromaticContact CZ-CE2 3.87Å; Q87-F90 WeakPolarHBondContact O-CB 3.32Å; Q87-F90 PolarHBondContact O-N 2.8Å; Q88-F90 PolarHBondContact O-N 2.91Å; F90-D92 VanDerWaalsContact C-N 3.28Å; F90-D92 PolarHBondContact O-N 3.37Å; F90-I93 PolarHBondContact O-N 2.92Å; F90-V126 HydrophobicContact CB-CG1 4.39Å; F90-V126 HydrophobicContact CB-CG2 3.84Å; F90-V126 HydrophobicContact CD1-CG1 4.02Å; F90-V126 HydrophobicContact CD2-CG1 4.1Å; F90-V126 HydrophobicContact CE1-CG1 4.28Å; F90-V126 HydrophobicContact CE2-CG1 4.35Å; F90-V126 HydrophobicContact CG-CG1 3.92Å; F90-V126 HydrophobicContact CG-CG2 4.26Å; F90-V126 HydrophobicContact CZ-CG1 4.43Å; F90-D130 HydrophobicContact CE1-CB 4.15Å; F90-D130 HydrophobicContact CZ-CB 4.07Å; F90-L134 HydrophobicContact CD2-CD2 4.37Å; F90-L134 HydrophobicContact CE2-CB 4.47Å; F90-L134 HydrophobicContact CE2-CD2 3.51Å; F90-L134 HydrophobicContact CZ-CB 4.19Å; F90-L134 HydrophobicContact CZ-CD2 3.63Å
91Q97.4Very high96.4Very high101 Ų10141.2 Ų41.247%0.47220%0.204SC..Hα-helixtrans-62.7-37.3175.4-64.5177500111.7Q87 Q88 I93 P95Q87-Q91 PolarHBondContact O-N 3.09Å; Q88-Q91 WeakPolarHBondContact O-CB 3.39Å; Q88-Q91 PolarHBondContact O-N 3.39Å; Q91-I93 VanDerWaalsContact C-N 3.26Å; Q91-I93 PolarHBondContact O-N 2.75Å; Q91-P95 WeakPolarHBondContact O-CD 3.2Å
92D95.4Very high96.1Very high48 Ų4848.9 Ų48.926%0.25723%0.233SC..THydrogen-bonded Turntrans-68.7-18.7-178.2-61.1-17.9000113.7S11 Q88 F90 R94 P95 M96S11-D92 VanDerWaalsContact OG-CB 3.3Å; S11-D92 WeakPolarHBondContact OG-CB 3.48Å; S11-D92 PolarHBondContact OG-OD2 3.46Å; Q88-D92 PolarHBondContact NE2-OD1 2.98Å; Q88-D92 PolarHBondContact O-N 3.24Å; F90-D92 VanDerWaalsContact C-N 3.28Å; F90-D92 PolarHBondContact O-N 3.37Å; D92-R94 PolarHBondContact O-N 3.39Å; D92-P95 WeakPolarHBondContact O-CD 3.21Å; D92-M96 HydrophobicContact CB-CE 4.08Å; D92-M96 WeakPolarHBondContact O-CG 3.44Å
93I95.6Very high95.8Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-68.6-35.8-177.6-58.5-62.7000112.2L80 V81 Y82 S89 F90 Q91 M96 R97 L113 W138L80-I93 HydrophobicContact CB-CD1 4.48Å; L80-I93 HydrophobicContact CB-CG2 3.77Å; L80-I93 HydrophobicContact CD1-CG2 3.6Å; L80-I93 HydrophobicContact CD2-CG2 4.34Å; L80-I93 HydrophobicContact CG-CG2 4.11Å; V81-I93 WeakPolarHBondContact O-CD1 3.34Å; Y82-I93 HydrophobicContact CD1-CG1 4.34Å; Y82-I93 HydrophobicContact CG-CG1 4.45Å; S89-I93 WeakPolarHBondContact O-CG1 3.37Å; F90-I93 PolarHBondContact O-N 2.92Å; Q91-I93 VanDerWaalsContact C-N 3.26Å; Q91-I93 PolarHBondContact O-N 2.75Å; I93-M96 WeakPolarHBondContact O-CB 3.45Å; I93-M96 PolarHBondContact O-N 2.89Å; I93-M96 VanDerWaalsContact O-N 3.11Å; I93-R97 PolarHBondContact O-N 3.08Å; I93-L113 HydrophobicContact CG2-CD1 3.96Å; I93-W138 HydrophobicContact CB-CH2 4.29Å; I93-W138 HydrophobicContact CG2-CH2 3.52Å; I93-W138 HydrophobicContact CG2-CZ3 3.89Å
94R95.7Very high95.4Very high104 Ų10451.9 Ų51.939%0.39225%0.248SC..Hα-helixtrans-56.5-54.1-179.4-83.5177.6-176.7-79.36.1111.7D92 M96 R97 D98 L134 E137 W138D92-R94 PolarHBondContact O-N 3.39Å; R94-M96 VanDerWaalsContact C-N 3.28Å; R94-M96 PolarHBondContact O-N 2.82Å; R94-R97 PolarHBondContact O-N 3.07Å; R94-D98 PolarHBondContact O-N 3.07Å; R94-L134 HydrophobicContact CG-CD1 4.4Å; R94-E137 IonicContact CZ-OE1 3.98Å; R94-E137 IonicContact CZ-OE2 3.66Å; R94-E137 IonicContact NH1-OE1 3.07Å; R94-E137 PolarHBondContact NH1-OE1 2.91Å; R94-E137 IonicContact NH1-OE2 2.74Å; R94-E137 PolarHBondContact NH1-OE2 2.75Å; R94-E137 IonicContact NH2-OE1 3.73Å; R94-E137 IonicContact NH2-OE2 2.86Å; R94-E137 PolarHBondContact NH2-OE2 3.29Å; R94-W138 HydrophobicContact CG-CZ2 3.8Å
95P94.1Very high94.8Very high83 Ų8362.6 Ų62.654%0.53929%0.288SS..Hα-helixtrans-54.1-39.7172.7-27.832.8000114.5Q91 D92 D98 Q99Q91-P95 WeakPolarHBondContact O-CD 3.2Å; D92-P95 WeakPolarHBondContact O-CD 3.21Å; P95-D98 PolarHBondContact O-N 3.25Å; P95-Q99 PolarHBondContact O-N 3.04Å
96M93.5Very high93.7Very high10 Ų1068 Ų685%0.04931%0.31CS..Hα-helixtrans-66.2-42.4178.6-64-176.7-159.100111.9G10 L80 D92 I93 R94 Q99 I100G10-M96 VanDerWaalsContact CA-SD 3.59Å; L80-M96 HydrophobicContact CD2-CB 4.05Å; D92-M96 HydrophobicContact CB-CE 4.08Å; D92-M96 WeakPolarHBondContact O-CG 3.44Å; I93-M96 WeakPolarHBondContact O-CB 3.45Å; I93-M96 PolarHBondContact O-N 2.89Å; I93-M96 VanDerWaalsContact O-N 3.11Å; R94-M96 VanDerWaalsContact C-N 3.28Å; R94-M96 PolarHBondContact O-N 2.82Å; M96-Q99 PolarHBondContact O-N 3.21Å; M96-I100 WeakPolarHBondContact O-CG1 3.36Å; M96-I100 PolarHBondContact O-N 2.83Å
97R95Very high92.3Very high69 Ų6974.2 Ų74.226%0.2634%0.337SS..Hα-helixtrans-60.4-45.6174.4-179.4-90.7-179.7-174.31.9111L80 I93 R94 Q99 I100 V101 L111 W138L80-R97 HydrophobicContact CD1-CB 3.75Å; L80-R97 HydrophobicContact CD1-CG 4.35Å; I93-R97 PolarHBondContact O-N 3.08Å; R94-R97 PolarHBondContact O-N 3.07Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.18Å; R97-I100 WeakPolarHBondContact O-CB 3.38Å; R97-I100 PolarHBondContact O-N 2.74Å; R97-I100 VanDerWaalsContact O-N 3.12Å; R97-V101 WeakPolarHBondContact O-CG2 3.34Å; R97-V101 PolarHBondContact O-N 2.88Å; R97-L111 HydrophobicContact CG-CD1 4.19Å; R97-W138 HydrophobicContact CB-CH2 4.11Å; R97-W138 HydrophobicContact CB-CZ2 4.17Å; R97-W138 HydrophobicContact CB-CZ3 4.33Å; R97-W138 HydrophobicContact CG-CD2 4.08Å; R97-W138 HydrophobicContact CG-CE3 4.15Å; R97-W138 HydrophobicContact CG-CH2 4.38Å; R97-W138 HydrophobicContact CG-CZ2 4.25Å; R97-W138 HydrophobicContact CG-CZ3 4.29Å
98D93.7Very high91.5Very high86 Ų8678 Ų7846%0.4635%0.353SS..Hα-helixtrans-65.1-35.9-179.3-68.5-19.8000111.9R94 P95 V101 R102R94-D98 PolarHBondContact O-N 3.07Å; P95-D98 PolarHBondContact O-N 3.25Å; D98-V101 PolarHBondContact O-N 3.29Å; D98-R102 VanDerWaalsContact O-CB 3.28Å; D98-R102 WeakPolarHBondContact O-CB 3.48Å; D98-R102 PolarHBondContact O-N 3.01Å
99Q92.5Very high91.2Very high29 Ų2974.4 Ų74.414%0.13634%0.338CS..Hα-helixtrans-63.1-42.8171.4-172.4175.10.300112R68 D69 I72 P95 M96 R97 R102 V103R68-Q99 VanDerWaalsContact CD-OE1 3.23Å; D69-Q99 PolarHBondContact OD1-NE2 3.28Å; I72-Q99 HydrophobicContact CD1-CB 4.47Å; I72-Q99 HydrophobicContact CD1-CG 3.87Å; P95-Q99 PolarHBondContact O-N 3.04Å; M96-Q99 PolarHBondContact O-N 3.21Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 3.18Å; Q99-R102 PolarHBondContact O-N 2.98Å; Q99-V103 WeakPolarHBondContact O-CG2 3.36Å; Q99-V103 PolarHBondContact O-N 2.88Å
100I93.9Very high91.1Very high0 Ų075.2 Ų75.20%034%0.343CS..Hα-helixtrans-57.5-52.5176-69.3161.3000110.8L9 I72 F78 L80 M96 R97 R102 V103 K104 V109 L111L9-I100 HydrophobicContact CD1-CD1 3.82Å; L9-I100 HydrophobicContact CD1-CG1 4.12Å; I72-I100 HydrophobicContact CD1-CG1 3.9Å; I72-I100 HydrophobicContact CG1-CG1 4.04Å; I72-I100 HydrophobicContact CG2-CB 4.39Å; I72-I100 HydrophobicContact CG2-CG1 4.33Å; I72-I100 HydrophobicContact CG2-CG2 4.4Å; F78-I100 HydrophobicContact CB-CD1 3.95Å; F78-I100 HydrophobicContact CD1-CD1 3.99Å; F78-I100 HydrophobicContact CD1-CG1 4.15Å; F78-I100 HydrophobicContact CD1-CG2 4.48Å; F78-I100 HydrophobicContact CD2-CG2 3.77Å; F78-I100 HydrophobicContact CE2-CG2 3.95Å; F78-I100 HydrophobicContact CG-CD1 3.92Å; F78-I100 HydrophobicContact CG-CG1 4.32Å; F78-I100 HydrophobicContact CG-CG2 4.06Å; F78-I100 HydrophobicContact CZ-CG2 4.4Å; L80-I100 HydrophobicContact CD1-CD1 4.2Å; L80-I100 HydrophobicContact CD2-CD1 3.86Å; L80-I100 HydrophobicContact CG-CD1 4.21Å; M96-I100 WeakPolarHBondContact O-CG1 3.36Å; M96-I100 PolarHBondContact O-N 2.83Å; R97-I100 WeakPolarHBondContact O-CB 3.38Å; R97-I100 PolarHBondContact O-N 2.74Å; R97-I100 VanDerWaalsContact O-N 3.12Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.36Å; I100-V103 PolarHBondContact O-N 3.49Å; I100-K104 HydrophobicContact CG2-CG 4.31Å; I100-K104 WeakPolarHBondContact O-CB 3.46Å; I100-K104 WeakPolarHBondContact O-CG 3.48Å; I100-K104 PolarHBondContact O-N 3.01Å; I100-V109 HydrophobicContact CG2-CB 4.45Å; I100-V109 HydrophobicContact CG2-CG1 3.71Å; I100-L111 HydrophobicContact CD1-CD1 4.28Å
101V93.1Very high91Very high51 Ų5174.5 Ų74.531%0.30934%0.341SS..Hα-helixtrans-59.7-45.3-179.4174.10000110.9R97 D98 V103 K104 R105R97-V101 WeakPolarHBondContact O-CG2 3.34Å; R97-V101 PolarHBondContact O-N 2.88Å; D98-V101 PolarHBondContact O-N 3.29Å; V101-V103 PolarHBondContact O-N 3.35Å; V101-K104 PolarHBondContact O-N 3.4Å; V101-R105 PolarHBondContact O-N 3.11Å
102R92.2Very high91.1Very high161 Ų16169.7 Ų69.761%0.60832%0.318SS*.Hα-helixtrans-58.6-45.7178.8-175.1-175.473.6-160.83.4112.7D69 D98 Q99 I100D69-R102 IonicContact OD1-NH2 3.81Å; D98-R102 VanDerWaalsContact O-CB 3.28Å; D98-R102 WeakPolarHBondContact O-CB 3.48Å; D98-R102 PolarHBondContact O-N 3.01Å; Q99-R102 PolarHBondContact O-N 2.98Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.36Å
103V92.5Very high91.3Very high33 Ų3367.4 Ų67.420%0.231%0.306CS..Hα-helixtrans-74.5-38.9-177.8172.80000111.2D69 I72 K73 Q99 I100 V101D69-V103 HydrophobicContact CB-CG2 4.38Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.3Å; I72-V103 HydrophobicContact CB-CB 4.33Å; I72-V103 HydrophobicContact CB-CG1 4.06Å; I72-V103 HydrophobicContact CG2-CB 3.58Å; I72-V103 HydrophobicContact CG2-CG1 3.6Å; I72-V103 HydrophobicContact CG2-CG2 4.3Å; K73-V103 HydrophobicContact CB-CG1 4.16Å; Q99-V103 WeakPolarHBondContact O-CG2 3.36Å; Q99-V103 PolarHBondContact O-N 2.88Å; I100-V103 PolarHBondContact O-N 3.49Å; V101-V103 PolarHBondContact O-N 3.35Å
104K91.6Very high91.4Very high33 Ų3367.4 Ų67.414%0.14331%0.306CS..Hα-helixtrans-72.2-32.6-178.7-77.9-53.9-164.7-169.10114.2I72 K73 G75 F78 I100 V101 F106 V109I72-K104 HydrophobicContact CG2-CG 4.28Å; I72-K104 WeakPolarHBondContact O-CE 3.47Å; I72-K104 PolarHBondContact O-NZ 3.02Å; K73-K104 PolarHBondContact O-NZ 2.86Å; G75-K104 WeakPolarHBondContact O-CE 3.1Å; G75-K104 PolarHBondContact O-NZ 2.88Å; F78-K104 HydrophobicContact CE2-CG 4.25Å; I100-K104 HydrophobicContact CG2-CG 4.31Å; I100-K104 WeakPolarHBondContact O-CB 3.46Å; I100-K104 WeakPolarHBondContact O-CG 3.48Å; I100-K104 PolarHBondContact O-N 3.01Å; V101-K104 PolarHBondContact O-N 3.4Å; K104-F106 HydrophobicContact CB-CD2 3.97Å; K104-F106 HydrophobicContact CD-CD2 4.29Å; K104-F106 HydrophobicContact CD-CE2 4.41Å; K104-F106 VanDerWaalsContact O-CD2 3.28Å; K104-F106 WeakPolarHBondContact O-CD2 3.39Å; K104-F106 PolarHBondContact O-N 2.77Å; K104-F106 VanDerWaalsContact O-N 3.13Å; K104-V109 HydrophobicContact CB-CG2 3.69Å; K104-V109 HydrophobicContact CG-CG1 4.17Å; K104-V109 HydrophobicContact CG-CG2 3.97Å
105R85.5Confident91.6Very high226 Ų22662.5 Ų62.585%0.85329%0.287SS*.  trans56.123.5-177.8-50.7-179.6178.3-170.8-1.9113.7V101V101-R105 PolarHBondContact O-N 3.11Å
106F75.5Confident91.8Very high137 Ų13758.7 Ų58.760%0.60126%0.262SS*.  trans-107.9145.8177.2-65-55.1000110.2K104 K108 V109K104-F106 HydrophobicContact CB-CD2 3.97Å; K104-F106 HydrophobicContact CD-CD2 4.29Å; K104-F106 HydrophobicContact CD-CE2 4.41Å; K104-F106 VanDerWaalsContact O-CD2 3.28Å; K104-F106 WeakPolarHBondContact O-CD2 3.39Å; K104-F106 PolarHBondContact O-N 2.77Å; K104-F106 VanDerWaalsContact O-N 3.13Å; F106-K108 VanDerWaalsContact C-N 3.35Å; F106-V109 HydrophobicContact CB-CG2 4.29Å
107E67.7Low92Very high194 Ų19460.9 Ų60.991%0.90727%0.272SS*.SBendtrans-67.2-35.4175.5-70.7-172.316600112.3
108K82.2Confident92.2Very high143 Ų14359.2 Ų59.262%0.62227%0.269SS*.SBendtrans-124.3108.2179-67.1173.1-174.3155.70110F106 E171F106-K108 VanDerWaalsContact C-N 3.35Å; K108-E171 IonicContact NZ-OE1 3.68Å; K108-E171 PolarHBondContact NZ-OE1 3.37Å
109V91.6Very high92.4Very high27 Ų2758 Ų5816%0.16426%0.262CS..  trans-101.1126.8174.5179.70000108.7F78 I100 K104 F106 L111F78-V109 HydrophobicContact CD2-CG1 3.47Å; F78-V109 VanDerWaalsContact CD2-CG1 3.47Å; F78-V109 HydrophobicContact CE2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CB 4.45Å; I100-V109 HydrophobicContact CG2-CG1 3.71Å; K104-V109 HydrophobicContact CB-CG2 3.69Å; K104-V109 HydrophobicContact CG-CG1 4.17Å; K104-V109 HydrophobicContact CG-CG2 3.97Å; F106-V109 HydrophobicContact CB-CG2 4.29Å; V109-L111 WeakPolarHBondContact O-CB 3.48Å; V109-L111 PolarHBondContact O-N 3.01Å
110P96.3Very high92.6Very high18 Ų1858.7 Ų58.712%0.11727%0.267CS..  trans-58.9112.4174.4-23.934.4000110.6Q76 G77 F78 I160 Q163 M164 A167Q76-P110 WeakPolarHBondContact O-CG 3.43Å; G77-P110 WeakPolarHBondContact CA-O 3.2Å; F78-P110 PolarHBondContact N-O 2.95Å; P110-I160 HydrophobicContact CB-CD1 4.48Å; P110-Q163 HydrophobicContact CB-CB 4.13Å; P110-M164 HydrophobicContact CB-CB 4.36Å; P110-M164 HydrophobicContact CB-CG 3.56Å; P110-M164 HydrophobicContact CG-CB 4.43Å; P110-M164 HydrophobicContact CG-CG 3.9Å; P110-A167 HydrophobicContact CG-CB 3.62Å
111L96.9Very high92.8Very high12 Ų1263.8 Ų63.86%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-146.9144.1-170.7-175.6148.9000109.7F78 L80 R97 I100 V109 W138 C140 P141F78-L111 HydrophobicContact CB-CG 4.5Å; F78-L111 CarbonylContact O-C 3.41Å; F78-L111 VanDerWaalsContact O-CA 3.29Å; F78-L111 WeakPolarHBondContact O-CA 3.22Å; L80-L111 HydrophobicContact CD1-CD1 3.7Å; L80-L111 HydrophobicContact CD1-CD2 4.25Å; L80-L111 HydrophobicContact CD1-CG 4.22Å; L80-L111 HydrophobicContact CG-CD1 4.33Å; R97-L111 HydrophobicContact CG-CD1 4.19Å; I100-L111 HydrophobicContact CD1-CD1 4.28Å; V109-L111 WeakPolarHBondContact O-CB 3.48Å; V109-L111 PolarHBondContact O-N 3.01Å; L111-W138 HydrophobicContact CD2-CE3 4.14Å; L111-C140 HydrophobicContact CD2-CB 3.86Å; L111-C140 VanDerWaalsContact CD2-SG 3.56Å; L111-C140 WeakPolarHBondContact O-CB 3.22Å; L111-P141 WeakPolarHBondContact O-CD 3.31Å
112I98.5Very high93Very high0 Ų067.1 Ų67.10%032%0.316CS..EExtended strand (participates in β ladder)trans-134136.3170-174.3162000110.2F78 I79 L80 V114 P141 I143 L156 E159 I160F78-I112 PolarHBondContact O-N 2.92Å; I79-I112 HydrophobicContact CB-CG2 4.19Å; I79-I112 HydrophobicContact CG1-CG2 3.75Å; I79-I112 HydrophobicContact CG2-CG2 4.2Å; L80-I112 PolarHBondContact N-O 2.82Å; I112-V114 HydrophobicContact CG1-CG2 4.41Å; I112-V114 HydrophobicContact CG2-CG2 4.39Å; I112-P141 HydrophobicContact CD1-CB 3.99Å; I112-P141 HydrophobicContact CG1-CB 4.04Å; I112-I143 HydrophobicContact CD1-CD1 3.61Å; I112-I143 HydrophobicContact CD1-CG1 3.95Å; I112-L156 HydrophobicContact CD1-CD1 3.9Å; I112-L156 HydrophobicContact CG1-CD1 4.31Å; I112-L156 HydrophobicContact CG2-CD1 3.7Å; I112-E159 HydrophobicContact CD1-CB 4.02Å; I112-E159 HydrophobicContact CD1-CG 3.7Å; I112-I160 HydrophobicContact CG2-CB 4.3Å; I112-I160 HydrophobicContact CG2-CD1 4.12Å
113L98.8Very high93.3Very high0 Ų064.9 Ų64.90%031%0.312CS..EExtended strand (participates in β ladder)trans-92132.9174.1179.761.5000109.9L80 Y82 I93 L134 A135 W138 P141 F142 I143L80-L113 HydrophobicContact CB-CD1 4.39Å; Y82-L113 HydrophobicContact CD1-CD1 3.82Å; Y82-L113 HydrophobicContact CE1-CD1 3.85Å; Y82-L113 HydrophobicContact CE1-CD2 4.42Å; Y82-L113 HydrophobicContact CE1-CG 4.05Å; I93-L113 HydrophobicContact CG2-CD1 3.96Å; L113-L134 HydrophobicContact CD2-CB 4.07Å; L113-L134 HydrophobicContact CD2-CD2 3.94Å; L113-L134 HydrophobicContact CD2-CG 4.03Å; L113-A135 HydrophobicContact CB-CB 4.4Å; L113-A135 HydrophobicContact CD2-CB 4.15Å; L113-W138 HydrophobicContact CB-CZ3 4.47Å; L113-W138 HydrophobicContact CD1-CZ3 4.01Å; L113-W138 HydrophobicContact CD2-CZ3 4.24Å; L113-W138 HydrophobicContact CG-CZ3 4.47Å; L113-P141 PolarHBondContact N-O 3.37Å; L113-F142 HydrophobicContact CB-CD2 4.14Å; L113-F142 HydrophobicContact CD2-CD2 4Å; L113-F142 HydrophobicContact CD2-CE2 4.45Å; L113-F142 HydrophobicContact CG-CD2 3.84Å; L113-F142 HydrophobicContact CG-CE2 4.29Å; L113-F142 WeakPolarHBondContact O-CA 3.22Å; L113-F142 WeakPolarHBondContact O-CD2 3.48Å; L113-I143 PolarHBondContact O-N 2.84Å
114V98.9Very high93.6Very high0 Ų066.1 Ų66.10%031%0.314CS..EExtended strand (participates in β ladder)trans-128.8119.9-174.7-177.90000111.4L19 I79 L80 V81 Y82 I112 I143 T145 L156L19-V114 HydrophobicContact CD1-CG1 4.31Å; I79-V114 HydrophobicContact CG2-CB 4.48Å; I79-V114 HydrophobicContact CG2-CG2 3.66Å; L80-V114 PolarHBondContact O-N 2.87Å; V81-V114 WeakPolarHBondContact CA-O 3.38Å; V81-V114 HydrophobicContact CG1-CG1 4.38Å; V81-V114 HydrophobicContact CG2-CB 4.3Å; Y82-V114 WeakPolarHBondContact CD1-O 3.35Å; Y82-V114 WeakPolarHBondContact CE1-O 3.31Å; Y82-V114 PolarHBondContact N-O 2.9Å; I112-V114 HydrophobicContact CG1-CG2 4.41Å; I112-V114 HydrophobicContact CG2-CG2 4.39Å; V114-I143 VanDerWaalsContact CA-O 3.31Å; V114-I143 WeakPolarHBondContact CA-O 3.48Å; V114-T145 HydrophobicContact CG1-CG2 3.77Å; V114-T145 VanDerWaalsContact CG1-OG1 3.31Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.2Å; V114-L156 HydrophobicContact CG1-CD2 4.26Å; V114-L156 HydrophobicContact CG2-CD1 3.39Å; V114-L156 HydrophobicContact CG2-CD2 4.02Å; V114-L156 HydrophobicContact CG2-CG 4.34Å
115G98.8Very high93.9Very high0 Ų069.9 Ų69.90%033%0.332CS..EExtended strand (participates in β ladder)trans-94.3100.7167.700000110.3I143 E144 T145G115-I143 PolarHBondContact N-O 3.49Å; G115-E144 CarbonylContact O-C 3.43Å; G115-E144 WeakPolarHBondContact O-CA 3.36Å; G115-T145 PolarHBondContact O-N 2.97Å
116N98.8Very high94.5Very high3 Ų359.1 Ų59.12%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-89.5164.5-176.4-167.534.9000112.6V14 L19 V81 Y82 L84 T145 A147V14-N116 PolarHBondContact O-ND2 2.83Å; L19-N116 HydrophobicContact CD1-CB 4.33Å; V81-N116 HydrophobicContact CG1-CB 3.79Å; Y82-N116 PolarHBondContact O-N 3.01Å; L84-N116 WeakPolarHBondContact CG-O 3.42Å; L84-N116 PolarHBondContact N-O 2.98Å; N116-T145 CarbonylContact C-O 3.51Å; N116-T145 WeakPolarHBondContact CA-O 2.83Å; N116-T145 PolarHBondContact OD1-O 3.18Å; N116-T145 PolarHBondContact OD1-OG1 3.17Å; N116-A147 PolarHBondContact OD1-N 3.3Å
117K98.3Very high95.6Very high57 Ų5754.7 Ų54.725%0.24828%0.28CS..  trans70.538.7-179.2-45-173.6-169.6175.10113.7G13 V85 D119 L120 T145G13-K117 WeakPolarHBondContact O-CE 3.32Å; G13-K117 PolarHBondContact O-NZ 2.94Å; V85-K117 HydrophobicContact CG2-CD 4.03Å; K117-D119 WeakPolarHBondContact CA-OD1 3.17Å; K117-D119 PolarHBondContact O-N 3.27Å; K117-D119 VanDerWaalsContact O-N 3.12Å; K117-L120 HydrophobicContact CB-CD1 4.11Å; K117-L120 HydrophobicContact CB-CG 4.38Å; K117-L120 HydrophobicContact CD-CD1 4.1Å; K117-L120 PolarHBondContact O-N 3.35Å; K117-T145 PolarHBondContact N-O 3.46Å
118V98.5Very high97Very high34 Ų3446 Ų4621%0.20624%0.242CC..THydrogen-bonded Turntrans-61.2-17.5175.173.50000113L84 L120 E144 T145 T151L84-V118 HydrophobicContact CD1-CB 3.77Å; L84-V118 HydrophobicContact CD1-CG2 4.08Å; V118-L120 PolarHBondContact O-N 3.04Å; V118-E144 HydrophobicContact CB-CB 4.29Å; V118-E144 HydrophobicContact CG2-CB 4.18Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.38Å; V118-T145 WeakPolarHBondContact CG1-O 3.25Å; V118-T145 PolarHBondContact N-O 3.32Å; V118-T151 HydrophobicContact CG1-CG2 4.18Å
119D98.1Very high97.8Very high59 Ų5941.6 Ų41.632%0.31623%0.233SC..THydrogen-bonded Turntrans-67.9-16.5172.758.2-71.4000114K117 E121 S146 K148K117-D119 WeakPolarHBondContact CA-OD1 3.17Å; K117-D119 PolarHBondContact O-N 3.27Å; K117-D119 VanDerWaalsContact O-N 3.12Å; D119-E121 PolarHBondContact O-N 3.12Å; D119-S146 WeakPolarHBondContact OD1-CB 3.35Å; D119-S146 PolarHBondContact OD1-OG 2.86Å; D119-K148 WeakPolarHBondContact OD2-CD 3.42Å
120L97.4Very high98.1Very high45 Ų4544.1 Ų44.124%0.23625%0.245CC..  trans-99.847.2-179.4-58.4-179.4000112.1V85 K117 V118 S122 E123 R124V85-L120 HydrophobicContact CG1-CB 3.58Å; V85-L120 HydrophobicContact CG1-CD1 4.21Å; V85-L120 HydrophobicContact CG2-CD1 4.09Å; K117-L120 HydrophobicContact CB-CD1 4.11Å; K117-L120 HydrophobicContact CB-CG 4.38Å; K117-L120 HydrophobicContact CD-CD1 4.1Å; K117-L120 PolarHBondContact O-N 3.35Å; V118-L120 PolarHBondContact O-N 3.04Å; L120-S122 PolarHBondContact O-N 3.06Å; L120-E123 HydrophobicContact CB-CB 4.44Å; L120-E123 PolarHBondContact O-N 2.89Å; L120-R124 PolarHBondContact O-N 2.89Å
121E97.2Very high98.2Very high107 Ų10743.3 Ų43.350%0.524%0.24SC..G310 helixtrans-58.4-33-173.5-168.861.3-15100113.5D119 E123 R124D119-E121 PolarHBondContact O-N 3.12Å; E121-E123 PolarHBondContact O-N 3.17Å; E121-R124 VanDerWaalsContact O-CB 3.3Å; E121-R124 WeakPolarHBondContact O-CB 3.45Å; E121-R124 PolarHBondContact O-N 2.94Å; E121-R124 WeakPolarHBondContact OE1-CD 3.18Å; E121-R124 IonicContact OE1-CZ 3.77Å; E121-R124 IonicContact OE1-NE 3.53Å; E121-R124 PolarHBondContact OE1-NE 3.34Å; E121-R124 IonicContact OE1-NH2 3.67Å; E121-R124 IonicContact OE2-CZ 2.97Å; E121-R124 VanDerWaalsContact OE2-CZ 3.29Å; E121-R124 IonicContact OE2-NE 2.76Å; E121-R124 PolarHBondContact OE2-NE 2.95Å; E121-R124 IonicContact OE2-NH2 2.76Å; E121-R124 PolarHBondContact OE2-NH2 2.94Å
122S97.9Very high98.3Very high120 Ų12049.6 Ų49.684%0.83926%0.262SS*.G310 helixtrans-68.3-19.2176.953.90000114.2L120L120-S122 PolarHBondContact O-N 3.06Å
123E98.1Very high98.3Very high114 Ų11452.1 Ų52.153%0.53328%0.284SS..G310 helixtrans-106.18.3179.6-64.9174.1-124.600111.3V85 L120 E121 E125V85-E123 WeakPolarHBondContact CA-O 3.45Å; V85-E123 HydrophobicContact CB-CB 4.09Å; V85-E123 WeakPolarHBondContact CB-O 3.21Å; V85-E123 HydrophobicContact CG1-CB 3.65Å; V85-E123 WeakPolarHBondContact CG1-O 3.45Å; L120-E123 HydrophobicContact CB-CB 4.44Å; L120-E123 PolarHBondContact O-N 2.89Å; E121-E123 PolarHBondContact O-N 3.17Å; E123-E125 PolarHBondContact O-N 3.04Å
124R98.6Very high98.3Very high59 Ų5952.4 Ų52.422%0.22329%0.285CS..  trans-61124.4-175.6-179.3-176.7-75.1-956.7110.8L120 E121 V126 E144L120-R124 PolarHBondContact O-N 2.89Å; E121-R124 VanDerWaalsContact O-CB 3.3Å; E121-R124 WeakPolarHBondContact O-CB 3.45Å; E121-R124 PolarHBondContact O-N 2.94Å; E121-R124 WeakPolarHBondContact OE1-CD 3.18Å; E121-R124 IonicContact OE1-CZ 3.77Å; E121-R124 IonicContact OE1-NE 3.53Å; E121-R124 PolarHBondContact OE1-NE 3.34Å; E121-R124 IonicContact OE1-NH2 3.67Å; E121-R124 IonicContact OE2-CZ 2.97Å; E121-R124 VanDerWaalsContact OE2-CZ 3.29Å; E121-R124 IonicContact OE2-NE 2.76Å; E121-R124 PolarHBondContact OE2-NE 2.95Å; E121-R124 IonicContact OE2-NH2 2.76Å; E121-R124 PolarHBondContact OE2-NH2 2.94Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.45Å; R124-V126 PolarHBondContact NH1-O 2.99Å; R124-E144 IonicContact CZ-OE1 3.29Å; R124-E144 IonicContact CZ-OE2 3.28Å; R124-E144 IonicContact NH1-OE1 2.77Å; R124-E144 PolarHBondContact NH1-OE1 3.31Å; R124-E144 IonicContact NH1-OE2 3.28Å; R124-E144 IonicContact NH2-OE1 2.88Å; R124-E144 IonicContact NH2-OE2 3.48Å; R124-E144 PolarHBondContact NH2-OE2 2.77Å
125E98.5Very high98.2Very high113 Ų11352.5 Ų52.553%0.52829%0.286SS..  trans-104.4-30.1173-62.2-175.4-177.100111.8L84 N86 Q87 E123L84-E125 PolarHBondContact O-N 3.21Å; N86-E125 WeakPolarHBondContact CA-OE2 3.27Å; Q87-E125 HydrophobicContact CB-CB 4.29Å; Q87-E125 PolarHBondContact N-OE2 3.42Å; Q87-E125 PolarHBondContact OE1-O 3.07Å; E123-E125 PolarHBondContact O-N 3.04Å
126V98.5Very high98.2Very high0 Ų060.3 Ų60.30%032%0.323CS..SBendtrans-108.2121.2-177.8-171.30000110.5Y82 L84 F90 R124 D130Y82-V126 HydrophobicContact CD2-CG2 4.35Å; Y82-V126 HydrophobicContact CE2-CB 3.96Å; Y82-V126 HydrophobicContact CE2-CG1 3.7Å; Y82-V126 HydrophobicContact CE2-CG2 4.11Å; L84-V126 HydrophobicContact CD2-CB 4.46Å; L84-V126 PolarHBondContact O-N 3.04Å; F90-V126 HydrophobicContact CB-CG1 4.39Å; F90-V126 HydrophobicContact CB-CG2 3.84Å; F90-V126 HydrophobicContact CD1-CG1 4.02Å; F90-V126 HydrophobicContact CD2-CG1 4.1Å; F90-V126 HydrophobicContact CE1-CG1 4.28Å; F90-V126 HydrophobicContact CE2-CG1 4.35Å; F90-V126 HydrophobicContact CG-CG1 3.92Å; F90-V126 HydrophobicContact CG-CG2 4.26Å; F90-V126 HydrophobicContact CZ-CG1 4.43Å; R124-V126 WeakPolarHBondContact CD-O 3.44Å; R124-V126 WeakPolarHBondContact CG-O 3.45Å; R124-V126 PolarHBondContact NH1-O 2.99Å; V126-D130 HydrophobicContact CG1-CB 4.37Å
127A98.3Very high98.1Very high44 Ų4465.8 Ų65.836%0.36435%0.348SS..  trans-71.5141176.600000110.8A129 D130 G131A127-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact O-N 3.09Å; A127-D130 WeakPolarHBondContact O-CB 3.34Å; A127-D130 PolarHBondContact O-N 2.85Å; A127-G131 PolarHBondContact O-N 2.8Å
128G96.9Very high97.9Very high10 Ų1064.7 Ų64.710%0.10334%0.342CS..Hα-helixtrans-61.2-21.4175.700000113.6R132 E144G128-R132 WeakPolarHBondContact O-CB 3.3Å; G128-R132 WeakPolarHBondContact O-CG 3.26Å; G128-R132 VanDerWaalsContact O-CZ 3.29Å; G128-R132 PolarHBondContact O-N 3.17Å; G128-R132 VanDerWaalsContact O-N 3.08Å; G128-R132 PolarHBondContact O-NH1 3.18Å; G128-E144 WeakPolarHBondContact CA-OE1 3.43Å
129A98.4Very high97.8Very high52 Ų5266.4 Ų66.443%0.4337%0.367SS..Hα-helixtrans-66.6-36.3172.700000112.4A127 R132 A133A127-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact O-N 3.09Å; A129-R132 PolarHBondContact O-N 2.99Å; A129-A133 WeakPolarHBondContact O-CB 3.32Å; A129-A133 PolarHBondContact O-N 3.43Å
130D98.4Very high97.7Very high80 Ų8064.6 Ų64.643%0.42836%0.359SS..Hα-helixtrans-69.1-43.1179.2-58.7-35000110.8F90 V126 A127 A133 L134F90-D130 HydrophobicContact CE1-CB 4.15Å; F90-D130 HydrophobicContact CZ-CB 4.07Å; V126-D130 HydrophobicContact CG1-CB 4.37Å; A127-D130 WeakPolarHBondContact O-CB 3.34Å; A127-D130 PolarHBondContact O-N 2.85Å; D130-A133 PolarHBondContact O-N 2.85Å; D130-L134 WeakPolarHBondContact O-CB 3.46Å; D130-L134 PolarHBondContact O-N 3.18Å
131G98.4Very high97.8Very high0 Ų063.9 Ų63.90%036%0.357CS..Hα-helixtrans-60.9-44.2173.500000112.4A127 L134 A135A127-G131 PolarHBondContact O-N 2.8Å; G131-L134 PolarHBondContact O-N 2.77Å; G131-A135 WeakPolarHBondContact O-CB 3.47Å; G131-A135 PolarHBondContact O-N 2.81Å
132R98.6Very high97.8Very high144 Ų14460.6 Ų60.654%0.54334%0.341SS..Hα-helixtrans-61.9-45.6174.7-78.5-173.7-68.3-87.53.7112.6G128 A129 L134 A135 Q136 F142G128-R132 WeakPolarHBondContact O-CB 3.3Å; G128-R132 WeakPolarHBondContact O-CG 3.26Å; G128-R132 VanDerWaalsContact O-CZ 3.29Å; G128-R132 PolarHBondContact O-N 3.17Å; G128-R132 VanDerWaalsContact O-N 3.08Å; G128-R132 PolarHBondContact O-NH1 3.18Å; A129-R132 PolarHBondContact O-N 2.99Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 2.64Å; R132-A135 PolarHBondContact O-N 3.08Å; R132-Q136 WeakPolarHBondContact O-CB 3.36Å; R132-Q136 PolarHBondContact O-N 3.33Å; R132-F142 HydrophobicContact CB-CD1 4.39Å; R132-F142 HydrophobicContact CG-CD1 3.49Å; R132-F142 VanDerWaalsContact CG-CD1 3.49Å; R132-F142 HydrophobicContact CG-CE1 3.92Å; R132-F142 HydrophobicContact CG-CG 4.46Å
133A98.6Very high97.9Very high54 Ų5455.8 Ų55.845%0.44631%0.305SS..Hα-helixtrans-62-41.9178.600000111.3A129 D130 Q136 E137A129-A133 WeakPolarHBondContact O-CB 3.32Å; A129-A133 PolarHBondContact O-N 3.43Å; D130-A133 PolarHBondContact O-N 2.85Å; A133-Q136 PolarHBondContact O-N 2.98Å; A133-E137 PolarHBondContact O-N 3.43Å
134L98.3Very high97.9Very high5 Ų552.1 Ų52.13%0.02629%0.288CS..Hα-helixtrans-64.6-43.8177-174.759.1000112.7F90 R94 L113 D130 G131 R132 Q136 E137 W138F90-L134 HydrophobicContact CD2-CD2 4.37Å; F90-L134 HydrophobicContact CE2-CB 4.47Å; F90-L134 HydrophobicContact CE2-CD2 3.51Å; F90-L134 HydrophobicContact CZ-CB 4.19Å; F90-L134 HydrophobicContact CZ-CD2 3.63Å; R94-L134 HydrophobicContact CG-CD1 4.4Å; L113-L134 HydrophobicContact CD2-CB 4.07Å; L113-L134 HydrophobicContact CD2-CD2 3.94Å; L113-L134 HydrophobicContact CD2-CG 4.03Å; D130-L134 WeakPolarHBondContact O-CB 3.46Å; D130-L134 PolarHBondContact O-N 3.18Å; G131-L134 PolarHBondContact O-N 2.77Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 2.64Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.08Å; L134-E137 WeakPolarHBondContact O-CB 3.48Å; L134-E137 PolarHBondContact O-N 3.39Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CH2 4.16Å; L134-W138 HydrophobicContact CD1-CZ2 3.47Å; L134-W138 VanDerWaalsContact CD1-CZ2 3.47Å; L134-W138 HydrophobicContact CD2-CH2 3.58Å; L134-W138 HydrophobicContact CD2-CZ2 3.73Å; L134-W138 HydrophobicContact CD2-CZ3 4.28Å; L134-W138 HydrophobicContact CG-CD2 4.26Å; L134-W138 HydrophobicContact CG-CE3 4.45Å; L134-W138 HydrophobicContact CG-CH2 3.78Å; L134-W138 HydrophobicContact CG-CZ2 3.61Å; L134-W138 HydrophobicContact CG-CZ3 4.25Å; L134-W138 PolarHBondContact O-N 3.24Å; L134-W138 VanDerWaalsContact O-N 3.08Å
135A98.2Very high97.9Very high3 Ų349.3 Ų49.33%0.02528%0.278CS..Hα-helixtrans-66.5-35.7177.400000112.4L113 G131 R132 W138 G139 C140 F142L113-A135 HydrophobicContact CB-CB 4.4Å; L113-A135 HydrophobicContact CD2-CB 4.15Å; G131-A135 WeakPolarHBondContact O-CB 3.47Å; G131-A135 PolarHBondContact O-N 2.81Å; R132-A135 PolarHBondContact O-N 3.08Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 2.68Å; A135-G139 PolarHBondContact O-N 3.26Å; A135-C140 WeakPolarHBondContact CB-O 3.45Å; A135-C140 PolarHBondContact O-N 3.17Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.43Å
136Q98.1Very high97.9Very high164 Ų16444 Ų4477%0.76625%0.253SS*.Hα-helixtrans-63.6-42.3172.4-175.4179-0.900111.5R132 A133 L134 W138 G139R132-Q136 WeakPolarHBondContact O-CB 3.36Å; R132-Q136 PolarHBondContact O-N 3.33Å; A133-Q136 PolarHBondContact O-N 2.98Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.08Å; Q136-W138 PolarHBondContact O-N 2.77Å; Q136-G139 PolarHBondContact O-N 2.95Å
137E96.7Very high97.9Very high118 Ų11844.1 Ų44.155%0.55125%0.254SS*.Hα-helixtrans-57.1-38173.3-175.1-166.5139.100111.4R94 A133 L134R94-E137 IonicContact CZ-OE1 3.98Å; R94-E137 IonicContact CZ-OE2 3.66Å; R94-E137 IonicContact NH1-OE1 3.07Å; R94-E137 PolarHBondContact NH1-OE1 2.91Å; R94-E137 IonicContact NH1-OE2 2.74Å; R94-E137 PolarHBondContact NH1-OE2 2.75Å; R94-E137 IonicContact NH2-OE1 3.73Å; R94-E137 IonicContact NH2-OE2 2.86Å; R94-E137 PolarHBondContact NH2-OE2 3.29Å; A133-E137 PolarHBondContact O-N 3.43Å; L134-E137 WeakPolarHBondContact O-CB 3.48Å; L134-E137 PolarHBondContact O-N 3.39Å
138W95.2Very high97.8Very high33 Ų3347.4 Ų47.413%0.12526%0.26CS..Hα-helixtrans-87.1-10.2-179.6-63.8-8.9000114.7L80 I93 R94 R97 L111 L113 L134 A135 Q136 C140L80-W138 HydrophobicContact CD1-CZ3 4.11Å; I93-W138 HydrophobicContact CB-CH2 4.29Å; I93-W138 HydrophobicContact CG2-CH2 3.52Å; I93-W138 HydrophobicContact CG2-CZ3 3.89Å; R94-W138 HydrophobicContact CG-CZ2 3.8Å; R97-W138 HydrophobicContact CB-CH2 4.11Å; R97-W138 HydrophobicContact CB-CZ2 4.17Å; R97-W138 HydrophobicContact CB-CZ3 4.33Å; R97-W138 HydrophobicContact CG-CD2 4.08Å; R97-W138 HydrophobicContact CG-CE3 4.15Å; R97-W138 HydrophobicContact CG-CH2 4.38Å; R97-W138 HydrophobicContact CG-CZ2 4.25Å; R97-W138 HydrophobicContact CG-CZ3 4.29Å; L111-W138 HydrophobicContact CD2-CE3 4.14Å; L113-W138 HydrophobicContact CB-CZ3 4.47Å; L113-W138 HydrophobicContact CD1-CZ3 4.01Å; L113-W138 HydrophobicContact CD2-CZ3 4.24Å; L113-W138 HydrophobicContact CG-CZ3 4.47Å; L134-W138 HydrophobicContact CD1-CD2 4.36Å; L134-W138 HydrophobicContact CD1-CH2 4.16Å; L134-W138 HydrophobicContact CD1-CZ2 3.47Å; L134-W138 VanDerWaalsContact CD1-CZ2 3.47Å; L134-W138 HydrophobicContact CD2-CH2 3.58Å; L134-W138 HydrophobicContact CD2-CZ2 3.73Å; L134-W138 HydrophobicContact CD2-CZ3 4.28Å; L134-W138 HydrophobicContact CG-CD2 4.26Å; L134-W138 HydrophobicContact CG-CE3 4.45Å; L134-W138 HydrophobicContact CG-CH2 3.78Å; L134-W138 HydrophobicContact CG-CZ2 3.61Å; L134-W138 HydrophobicContact CG-CZ3 4.25Å; L134-W138 PolarHBondContact O-N 3.24Å; L134-W138 VanDerWaalsContact O-N 3.08Å; A135-W138 CarbonylContact O-C 3.55Å; A135-W138 PolarHBondContact O-N 2.68Å; Q136-W138 PolarHBondContact O-N 2.77Å; W138-C140 VanDerWaalsContact C-N 3.3Å
139G95.1Very high97.8Very high70 Ų7050.1 Ų50.172%0.72228%0.278SS*.THydrogen-bonded Turntrans63.234.5-173.100000113.1A135 Q136A135-G139 PolarHBondContact O-N 3.26Å; Q136-G139 PolarHBondContact O-N 2.95Å
140C96.6Very high97.7Very high21 Ų2151.9 Ų51.914%0.14228%0.275CS..  trans-120.7162.617974.10000112.1L111 A135 W138L111-C140 HydrophobicContact CD2-CB 3.86Å; L111-C140 VanDerWaalsContact CD2-SG 3.56Å; L111-C140 WeakPolarHBondContact O-CB 3.22Å; A135-C140 WeakPolarHBondContact CB-O 3.45Å; A135-C140 PolarHBondContact O-N 3.17Å; W138-C140 VanDerWaalsContact C-N 3.3Å
141P98.3Very high97.7Very high30 Ų3050.9 Ų50.920%0.19527%0.272CS..  trans-66.7156.3171.7-17.330.9000112.5L111 I112 L113 E159 Q163L111-P141 WeakPolarHBondContact O-CD 3.31Å; I112-P141 HydrophobicContact CD1-CB 3.99Å; I112-P141 HydrophobicContact CG1-CB 4.04Å; L113-P141 PolarHBondContact N-O 3.37Å; P141-E159 HydrophobicContact CB-CG 4.22Å; P141-E159 HydrophobicContact CG-CG 4.18Å; P141-Q163 HydrophobicContact CG-CG 3.96Å
142F98.7Very high97.7Very high39 Ų3955.1 Ų55.117%0.17129%0.293CS..EExtended strand (participates in β ladder)trans-129.6133.1172.4175.2-114.9000110.6Y82 L113 R132 A135 E144Y82-F142 HydrophobicContact CE1-CE2 4.02Å; Y82-F142 WeakPolarHBondContact OH-CE2 3.31Å; Y82-F142 WeakPolarHBondContact OH-CZ 3.39Å; L113-F142 HydrophobicContact CB-CD2 4.14Å; L113-F142 HydrophobicContact CD2-CD2 4Å; L113-F142 HydrophobicContact CD2-CE2 4.45Å; L113-F142 HydrophobicContact CG-CD2 3.84Å; L113-F142 HydrophobicContact CG-CE2 4.29Å; L113-F142 WeakPolarHBondContact O-CA 3.22Å; L113-F142 WeakPolarHBondContact O-CD2 3.48Å; R132-F142 HydrophobicContact CB-CD1 4.39Å; R132-F142 HydrophobicContact CG-CD1 3.49Å; R132-F142 VanDerWaalsContact CG-CD1 3.49Å; R132-F142 HydrophobicContact CG-CE1 3.92Å; R132-F142 HydrophobicContact CG-CG 4.46Å; A135-F142 HydrophobicContact CB-CB 3.57Å; A135-F142 HydrophobicContact CB-CG 4.43Å; F142-E144 HydrophobicContact CE1-CG 3.77Å; F142-E144 HydrophobicContact CE2-CG 4.5Å; F142-E144 HydrophobicContact CZ-CG 3.53Å
143I98.6Very high97.7Very high18 Ų1848.2 Ų48.29%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-134.6133.6175.5-62.6179.4000109.2I112 L113 V114 G115 T145 M152 E155 E159I112-I143 HydrophobicContact CD1-CD1 3.61Å; I112-I143 HydrophobicContact CD1-CG1 3.95Å; L113-I143 PolarHBondContact O-N 2.84Å; V114-I143 VanDerWaalsContact CA-O 3.31Å; V114-I143 WeakPolarHBondContact CA-O 3.48Å; G115-I143 PolarHBondContact N-O 3.49Å; I143-T145 HydrophobicContact CG2-CG2 3.65Å; I143-M152 HydrophobicContact CG2-CB 3.55Å; I143-M152 HydrophobicContact CG2-CE 4.09Å; I143-M152 HydrophobicContact CG2-CG 4.1Å; I143-E155 HydrophobicContact CD1-CG 4.34Å; I143-E159 HydrophobicContact CD1-CB 4.36Å
144E98.8Very high97.7Very high38 Ų3848.9 Ų48.918%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-89.8130.8163-67.6-167.5168.500109.9L84 G115 V118 R124 G128 F142L84-E144 HydrophobicContact CD1-CB 4.36Å; L84-E144 HydrophobicContact CD1-CG 4.13Å; L84-E144 HydrophobicContact CD2-CG 4.43Å; G115-E144 CarbonylContact O-C 3.43Å; G115-E144 WeakPolarHBondContact O-CA 3.36Å; V118-E144 HydrophobicContact CB-CB 4.29Å; V118-E144 HydrophobicContact CG2-CB 4.18Å; V118-E144 WeakPolarHBondContact CG2-OE2 3.38Å; R124-E144 IonicContact CZ-OE1 3.29Å; R124-E144 IonicContact CZ-OE2 3.28Å; R124-E144 IonicContact NH1-OE1 2.77Å; R124-E144 PolarHBondContact NH1-OE1 3.31Å; R124-E144 IonicContact NH1-OE2 3.28Å; R124-E144 IonicContact NH2-OE1 2.88Å; R124-E144 IonicContact NH2-OE2 3.48Å; R124-E144 PolarHBondContact NH2-OE2 2.77Å; G128-E144 WeakPolarHBondContact CA-OE1 3.43Å; F142-E144 HydrophobicContact CE1-CG 3.77Å; F142-E144 HydrophobicContact CE2-CG 4.5Å; F142-E144 HydrophobicContact CZ-CG 3.53Å
145T98.8Very high97.7Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-125.5160.1-174.361.20000112.1V114 G115 N116 K117 V118 I143 T151 M152 L156V114-T145 HydrophobicContact CG1-CG2 3.77Å; V114-T145 VanDerWaalsContact CG1-OG1 3.31Å; V114-T145 WeakPolarHBondContact CG1-OG1 3.2Å; G115-T145 PolarHBondContact O-N 2.97Å; N116-T145 CarbonylContact C-O 3.51Å; N116-T145 WeakPolarHBondContact CA-O 2.83Å; N116-T145 PolarHBondContact OD1-O 3.18Å; N116-T145 PolarHBondContact OD1-OG1 3.17Å; K117-T145 PolarHBondContact N-O 3.46Å; V118-T145 WeakPolarHBondContact CG1-O 3.25Å; V118-T145 PolarHBondContact N-O 3.32Å; I143-T145 HydrophobicContact CG2-CG2 3.65Å; T145-T151 WeakPolarHBondContact CA-O 3.24Å; T145-M152 HydrophobicContact CG2-CB 4.1Å; T145-L156 HydrophobicContact CG2-CB 4.4Å; T145-L156 HydrophobicContact CG2-CD2 4.19Å
146S98.5Very high97.7Very high0 Ų051.9 Ų51.90%028%0.277CS..BIsolated β-bridgetrans-133.9118159.3173.80000109.6D119 K148 S149 K150 T151 V153D119-S146 WeakPolarHBondContact OD1-CB 3.35Å; D119-S146 PolarHBondContact OD1-OG 2.86Å; S146-K148 PolarHBondContact O-N 2.89Å; S146-K148 PolarHBondContact OG-N 3.16Å; S146-K148 VanDerWaalsContact OG-N 3.1Å; S146-S149 WeakPolarHBondContact CB-OG 3.3Å; S146-S149 PolarHBondContact OG-N 3.32Å; S146-S149 VanDerWaalsContact OG-N 3.07Å; S146-S149 PolarHBondContact OG-OG 3.47Å; S146-K150 CarbonylContact O-C 3.59Å; S146-K150 VanDerWaalsContact O-CA 3.25Å; S146-K150 WeakPolarHBondContact O-CA 3.05Å; S146-K150 PolarHBondContact O-N 2.86Å; S146-T151 PolarHBondContact N-O 3.02Å; S146-T151 PolarHBondContact O-N 2.67Å; S146-V153 WeakPolarHBondContact O-CG2 3.33Å
147A97.6Very high97.7Very high3 Ų344.2 Ų44.23%0.02524%0.241CC..THydrogen-bonded Turntrans-61.3-33.2167.500000111.6A18 L19 Q22 F28 N116A18-A147 HydrophobicContact CB-CB 3.64Å; L19-A147 HydrophobicContact CD2-CB 3.97Å; L19-A147 HydrophobicContact CG-CB 4.2Å; Q22-A147 WeakPolarHBondContact CG-O 3.26Å; Q22-A147 PolarHBondContact NE2-O 3.36Å; F28-A147 HydrophobicContact CD2-CB 4.08Å; F28-A147 HydrophobicContact CE2-CB 4.1Å; N116-A147 PolarHBondContact OD1-N 3.3Å
148K96.8Very high97.8Very high114 Ų11439.2 Ų39.250%0.49622%0.219SC..THydrogen-bonded Turntrans-70-49.6-176.6-173.9-179.5-176.2178.60112.4F28 D119 S146F28-K148 HydrophobicContact CD1-CB 4.34Å; F28-K148 HydrophobicContact CD1-CG 4.05Å; F28-K148 HydrophobicContact CD2-CB 4.35Å; F28-K148 HydrophobicContact CE1-CB 4.1Å; F28-K148 HydrophobicContact CE1-CD 4.41Å; F28-K148 HydrophobicContact CE1-CG 3.86Å; F28-K148 HydrophobicContact CE2-CB 4.12Å; F28-K148 HydrophobicContact CG-CB 4.45Å; F28-K148 HydrophobicContact CZ-CB 4Å; F28-K148 HydrophobicContact CZ-CG 4.25Å; D119-K148 WeakPolarHBondContact OD2-CD 3.42Å; S146-K148 PolarHBondContact O-N 2.89Å; S146-K148 PolarHBondContact OG-N 3.16Å; S146-K148 VanDerWaalsContact OG-N 3.1Å
149S96.6Very high97.9Very high67 Ų6739 Ų3947%0.46922%0.22SC..THydrogen-bonded Turntrans-92.75.1179.561.10000113.7S146 T151S146-S149 WeakPolarHBondContact CB-OG 3.3Å; S146-S149 PolarHBondContact OG-N 3.32Å; S146-S149 VanDerWaalsContact OG-N 3.07Å; S146-S149 PolarHBondContact OG-OG 3.47Å; S149-T151 PolarHBondContact O-N 3.01Å; S149-T151 VanDerWaalsContact O-N 3.17Å; S149-T151 PolarHBondContact OG-OG1 3.47Å
150K97.3Very high98.1Very high88 Ų8835.7 Ų35.738%0.38319%0.186SC..THydrogen-bonded Turntrans58.320.2-174.1-153.5-173.5176.9-153.20113.7Q22 S146 M152 V153 D154Q22-K150 HydrophobicContact CG-CB 4.38Å; Q22-K150 HydrophobicContact CG-CG 3.92Å; S146-K150 CarbonylContact O-C 3.59Å; S146-K150 VanDerWaalsContact O-CA 3.25Å; S146-K150 WeakPolarHBondContact O-CA 3.05Å; S146-K150 PolarHBondContact O-N 2.86Å; K150-M152 PolarHBondContact O-N 2.87Å; K150-V153 HydrophobicContact CG-CB 4.22Å; K150-V153 HydrophobicContact CG-CG2 4.37Å; K150-D154 WeakPolarHBondContact CE-OD2 3.19Å; K150-D154 IonicContact NZ-OD1 2.88Å; K150-D154 IonicContact NZ-OD2 3.57Å; K150-D154 PolarHBondContact NZ-OD2 2.55Å
151T98.5Very high98.1Very high60 Ų6034.7 Ų34.737%0.36818%0.179SC..BIsolated β-bridgetrans-66.6120.7-179.5-60.50000110.1V118 T145 S146 S149 V153V118-T151 HydrophobicContact CG1-CG2 4.18Å; T145-T151 WeakPolarHBondContact CA-O 3.24Å; S146-T151 PolarHBondContact N-O 3.02Å; S146-T151 PolarHBondContact O-N 2.67Å; S149-T151 PolarHBondContact O-N 3.01Å; S149-T151 VanDerWaalsContact O-N 3.17Å; S149-T151 PolarHBondContact OG-OG1 3.47Å; T151-V153 PolarHBondContact O-N 3.34Å; T151-V153 VanDerWaalsContact O-N 3.08Å
152M98.5Very high98Very high88 Ų8835.3 Ų35.343%0.43318%0.178SC..THydrogen-bonded Turntrans59.313176.9-59.8-63.2-70.600115.9I143 T145 K150 E155 L156I143-M152 HydrophobicContact CG2-CB 3.55Å; I143-M152 HydrophobicContact CG2-CE 4.09Å; I143-M152 HydrophobicContact CG2-CG 4.1Å; T145-M152 HydrophobicContact CG2-CB 4.1Å; K150-M152 PolarHBondContact O-N 2.87Å; M152-E155 HydrophobicContact CE-CB 3.93Å; M152-E155 HydrophobicContact CE-CG 3.68Å; M152-L156 WeakPolarHBondContact O-CB 3.2Å; M152-L156 PolarHBondContact O-N 2.96Å
153V98.5Very high97.9Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-66.4-49.5-177.3176.70000111.4L19 Q22 F23 S146 K150 T151 E155 L156 F157L19-V153 HydrophobicContact CD2-CG2 3.88Å; Q22-V153 HydrophobicContact CB-CG1 4.45Å; Q22-V153 HydrophobicContact CG-CG1 4.22Å; Q22-V153 HydrophobicContact CG-CG2 4.27Å; F23-V153 HydrophobicContact CB-CG1 3.82Å; S146-V153 WeakPolarHBondContact O-CG2 3.33Å; K150-V153 HydrophobicContact CG-CB 4.22Å; K150-V153 HydrophobicContact CG-CG2 4.37Å; T151-V153 PolarHBondContact O-N 3.34Å; T151-V153 VanDerWaalsContact O-N 3.08Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 2.92Å; V153-L156 WeakPolarHBondContact O-CB 3.38Å; V153-L156 PolarHBondContact O-N 3.13Å; V153-F157 HydrophobicContact CG1-CD2 4.46Å; V153-F157 HydrophobicContact CG1-CE2 4.29Å; V153-F157 VanDerWaalsContact O-CD2 3.3Å; V153-F157 WeakPolarHBondContact O-CD2 3.34Å
154D97.9Very high97.7Very high68 Ų6835 Ų3536%0.36418%0.176SC..Hα-helixtrans-66.1-38.2-179.5-65.6-37.3000111.3F23 K150 F157 A158F23-D154 WeakPolarHBondContact CD2-OD1 3.42Å; K150-D154 WeakPolarHBondContact CE-OD2 3.19Å; K150-D154 IonicContact NZ-OD1 2.88Å; K150-D154 IonicContact NZ-OD2 3.57Å; K150-D154 PolarHBondContact NZ-OD2 2.55Å; D154-F157 PolarHBondContact O-N 3.33Å; D154-A158 PolarHBondContact O-N 3.45Å; D154-A158 VanDerWaalsContact O-N 3.07Å
155E98.4Very high97.3Very high71 Ų7135.4 Ų35.433%0.33218%0.179SC..Hα-helixtrans-65.8-37.7177.8-176.156-152.100112.4I143 M152 V153 F157 A158 E159 R162I143-E155 HydrophobicContact CD1-CG 4.34Å; M152-E155 HydrophobicContact CE-CB 3.93Å; M152-E155 HydrophobicContact CE-CG 3.68Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 2.92Å; E155-F157 PolarHBondContact O-N 3.1Å; E155-A158 PolarHBondContact O-N 3.07Å; E155-E159 VanDerWaalsContact O-CB 3.27Å; E155-E159 WeakPolarHBondContact O-CB 3.42Å; E155-E159 PolarHBondContact O-N 3.46Å; E155-R162 IonicContact OE1-CZ 3.79Å; E155-R162 IonicContact OE1-NH1 3.68Å; E155-R162 PolarHBondContact OE1-NH1 3.18Å; E155-R162 IonicContact OE1-NH2 2.86Å; E155-R162 IonicContact OE2-NH2 3.88Å
156L98.6Very high96.6Very high0 Ų042.3 Ų42.30%021%0.207CC..Hα-helixtrans-54.4-50.1174.2164.359.8000112.1L19 I79 I112 V114 T145 M152 V153 E159 I160L19-L156 HydrophobicContact CD1-CD2 4.23Å; I79-L156 HydrophobicContact CD1-CD1 4.12Å; I79-L156 HydrophobicContact CD1-CG 4.17Å; I79-L156 HydrophobicContact CG1-CD1 4.3Å; I79-L156 HydrophobicContact CG2-CD1 3.95Å; I79-L156 HydrophobicContact CG2-CD2 4.22Å; I112-L156 HydrophobicContact CD1-CD1 3.9Å; I112-L156 HydrophobicContact CG1-CD1 4.31Å; I112-L156 HydrophobicContact CG2-CD1 3.7Å; V114-L156 HydrophobicContact CG1-CD2 4.26Å; V114-L156 HydrophobicContact CG2-CD1 3.39Å; V114-L156 HydrophobicContact CG2-CD2 4.02Å; V114-L156 HydrophobicContact CG2-CG 4.34Å; T145-L156 HydrophobicContact CG2-CB 4.4Å; T145-L156 HydrophobicContact CG2-CD2 4.19Å; M152-L156 WeakPolarHBondContact O-CB 3.2Å; M152-L156 PolarHBondContact O-N 2.96Å; V153-L156 WeakPolarHBondContact O-CB 3.38Å; V153-L156 PolarHBondContact O-N 3.13Å; L156-E159 PolarHBondContact O-N 3.47Å; L156-I160 PolarHBondContact O-N 2.88Å
157F98.4Very high95.6Very high2 Ų244.8 Ų44.81%0.00923%0.227CC..Hα-helixtrans-75.3-28.4-177.5-72.1-80.4000112.6F23 L53 I55 I79 V153 D154 E155 I160 V161F23-F157 HydrophobicContact CB-CD2 3.55Å; F23-F157 HydrophobicContact CB-CE2 3.38Å; F23-F157 HydrophobicContact CB-CG 4.44Å; F23-F157 HydrophobicContact CB-CZ 4.15Å; F23-F157 HydrophobicContact CD1-CB 4.19Å; F23-F157 HydrophobicContact CD1-CD1 4.02Å; F23-F157 AromaticContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CD2 3.66Å; F23-F157 HydrophobicContact CD1-CE1 4.31Å; F23-F157 AromaticContact CD1-CE2 3.99Å; F23-F157 HydrophobicContact CD1-CE2 3.99Å; F23-F157 AromaticContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CG 3.68Å; F23-F157 HydrophobicContact CD1-CZ 4.3Å; F23-F157 HydrophobicContact CD2-CB 3.95Å; F23-F157 AromaticContact CD2-CD2 3.48Å; F23-F157 HydrophobicContact CD2-CD2 3.48Å; F23-F157 VanDerWaalsContact CD2-CD2 3.48Å; F23-F157 HydrophobicContact CD2-CE2 4.24Å; F23-F157 AromaticContact CD2-CG 3.92Å; F23-F157 HydrophobicContact CD2-CG 3.92Å; F23-F157 HydrophobicContact CE1-CB 3.77Å; F23-F157 HydrophobicContact CE1-CD1 4.06Å; F23-F157 HydrophobicContact CE1-CD2 4.14Å; F23-F157 AromaticContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE1-CG 3.73Å; F23-F157 HydrophobicContact CE2-CB 3.51Å; F23-F157 AromaticContact CE2-CD2 3.99Å; F23-F157 HydrophobicContact CE2-CD2 3.99Å; F23-F157 AromaticContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CE2-CG 3.96Å; F23-F157 HydrophobicContact CG-CB 4.25Å; F23-F157 HydrophobicContact CG-CD1 4.47Å; F23-F157 AromaticContact CG-CD2 3.27Å; F23-F157 HydrophobicContact CG-CD2 3.27Å; F23-F157 AromaticContact CG-CE2 3.63Å; F23-F157 HydrophobicContact CG-CE2 3.63Å; F23-F157 AromaticContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CG 3.75Å; F23-F157 HydrophobicContact CG-CZ 4.36Å; F23-F157 HydrophobicContact CZ-CB 3.37Å; F23-F157 HydrophobicContact CZ-CD2 4.26Å; F23-F157 AromaticContact CZ-CG 3.84Å; F23-F157 HydrophobicContact CZ-CG 3.84Å; L53-F157 HydrophobicContact CD2-CB 4.05Å; L53-F157 HydrophobicContact CD2-CD1 4.28Å; I55-F157 HydrophobicContact CD1-CD1 3.86Å; I55-F157 HydrophobicContact CD1-CE1 3.62Å; I55-F157 HydrophobicContact CD1-CZ 4.36Å; I55-F157 HydrophobicContact CG1-CD1 4.43Å; I55-F157 HydrophobicContact CG1-CE1 4.19Å; I55-F157 HydrophobicContact CG2-CE1 4.18Å; I79-F157 HydrophobicContact CD1-CD1 3.85Å; I79-F157 HydrophobicContact CD1-CE1 3.65Å; I79-F157 HydrophobicContact CD1-CZ 4.3Å; V153-F157 HydrophobicContact CG1-CD2 4.46Å; V153-F157 HydrophobicContact CG1-CE2 4.29Å; V153-F157 VanDerWaalsContact O-CD2 3.3Å; V153-F157 WeakPolarHBondContact O-CD2 3.34Å; D154-F157 PolarHBondContact O-N 3.33Å; E155-F157 PolarHBondContact O-N 3.1Å; F157-I160 WeakPolarHBondContact O-CG2 3.21Å; F157-V161 WeakPolarHBondContact O-CG2 3.31Å
158A98.1Very high94.1Very high13 Ų1349 Ų4911%0.10725%0.253CS..Hα-helixtrans-67.2-43.416900000111.4V46 D154 E155 I160 V161 R162V46-A158 HydrophobicContact CG1-CB 4.5Å; V46-A158 HydrophobicContact CG2-CB 4.18Å; D154-A158 PolarHBondContact O-N 3.45Å; D154-A158 VanDerWaalsContact O-N 3.07Å; E155-A158 PolarHBondContact O-N 3.07Å; A158-I160 PolarHBondContact O-N 2.76Å; A158-V161 WeakPolarHBondContact O-CB 3.37Å; A158-V161 PolarHBondContact O-N 2.96Å; A158-V161 VanDerWaalsContact O-N 3.14Å; A158-R162 PolarHBondContact O-N 2.91Å; A158-R162 VanDerWaalsContact O-N 3.13Å
159E98.3Very high92.3Very high30 Ų3048.9 Ų48.914%0.1426%0.257CS..Hα-helixtrans-66.1-40.4-175.4-177.553.1-152.200112.4I112 P141 I143 E155 L156 V161 R162 Q163I112-E159 HydrophobicContact CD1-CB 4.02Å; I112-E159 HydrophobicContact CD1-CG 3.7Å; P141-E159 HydrophobicContact CB-CG 4.22Å; P141-E159 HydrophobicContact CG-CG 4.18Å; I143-E159 HydrophobicContact CD1-CB 4.36Å; E155-E159 VanDerWaalsContact O-CB 3.27Å; E155-E159 WeakPolarHBondContact O-CB 3.42Å; E155-E159 PolarHBondContact O-N 3.46Å; L156-E159 PolarHBondContact O-N 3.47Å; E159-V161 PolarHBondContact O-N 2.81Å; E159-R162 WeakPolarHBondContact O-CB 3.32Å; E159-R162 PolarHBondContact O-N 3.37Å; E159-R162 IonicContact OE2-CZ 3.71Å; E159-R162 IonicContact OE2-NH1 2.72Å; E159-R162 PolarHBondContact OE2-NH1 2.89Å; E159-Q163 WeakPolarHBondContact O-CG 3.35Å; E159-Q163 PolarHBondContact O-N 3.24Å; E159-Q163 PolarHBondContact OE1-NE2 2.79Å
160I98.1Very high90.1Very high0 Ų051.1 Ų51.10%027%0.27CS..Hα-helixtrans-62.9-30.6176.2-168.456.6000112.2V6 I79 P110 I112 L156 F157 A158 Q163 M164V6-I160 HydrophobicContact CG1-CG1 4.29Å; V6-I160 HydrophobicContact CG1-CG2 4.24Å; V6-I160 HydrophobicContact CG2-CG1 4.35Å; V6-I160 HydrophobicContact CG2-CG2 3.93Å; I79-I160 HydrophobicContact CD1-CG2 4.2Å; I79-I160 HydrophobicContact CG1-CB 4.34Å; I79-I160 HydrophobicContact CG1-CG1 4.23Å; I79-I160 HydrophobicContact CG1-CG2 4.44Å; P110-I160 HydrophobicContact CB-CD1 4.48Å; I112-I160 HydrophobicContact CG2-CB 4.3Å; I112-I160 HydrophobicContact CG2-CD1 4.12Å; L156-I160 PolarHBondContact O-N 2.88Å; F157-I160 WeakPolarHBondContact O-CG2 3.21Å; A158-I160 PolarHBondContact O-N 2.76Å; I160-Q163 HydrophobicContact CD1-CB 4.33Å; I160-Q163 PolarHBondContact O-N 3.02Å; I160-M164 HydrophobicContact CG1-CE 4.28Å; I160-M164 WeakPolarHBondContact O-CE 3.19Å; I160-M164 WeakPolarHBondContact O-CG 3.05Å; I160-M164 PolarHBondContact O-N 3.41Å
161V97.3Very high87.9Confident0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-67.2-43172.9176.20000111Y4 I44 V46 L53 F157 A158 E159 Q163 M164 N165Y4-V161 HydrophobicContact CD1-CG1 4.38Å; Y4-V161 HydrophobicContact CD2-CG1 4.15Å; Y4-V161 HydrophobicContact CE1-CG1 3.98Å; Y4-V161 HydrophobicContact CE2-CG1 3.77Å; Y4-V161 HydrophobicContact CG-CG1 4.43Å; I44-V161 HydrophobicContact CD1-CG2 4.29Å; V46-V161 HydrophobicContact CB-CG1 4.12Å; V46-V161 HydrophobicContact CG1-CB 4.33Å; V46-V161 HydrophobicContact CG1-CG1 4.17Å; V46-V161 HydrophobicContact CG2-CB 4.05Å; V46-V161 HydrophobicContact CG2-CG1 4Å; V46-V161 HydrophobicContact CG2-CG2 4.29Å; L53-V161 HydrophobicContact CD1-CG2 3.55Å; L53-V161 HydrophobicContact CD2-CG2 3.92Å; L53-V161 HydrophobicContact CG-CG2 3.95Å; F157-V161 WeakPolarHBondContact O-CG2 3.31Å; A158-V161 WeakPolarHBondContact O-CB 3.37Å; A158-V161 PolarHBondContact O-N 2.96Å; A158-V161 VanDerWaalsContact O-N 3.14Å; E159-V161 PolarHBondContact O-N 2.81Å; V161-Q163 VanDerWaalsContact C-N 3.33Å; V161-Q163 PolarHBondContact O-N 3.03Å; V161-M164 HydrophobicContact CG2-CE 4.18Å; V161-M164 PolarHBondContact O-N 3.24Å; V161-N165 PolarHBondContact O-N 2.88Å; V161-N165 PolarHBondContact O-ND2 3.4Å
162R96.3Very high85.3Confident43 Ų4360.5 Ų60.516%0.16231%0.308CS..Hα-helixtrans-58.9-45.8174.1-60.1-167.4-165.299.90.1111V46 D47 E155 A158 E159 M164 N165 Y166V46-R162 HydrophobicContact CG1-CG 3.76Å; D47-R162 IonicContact OD1-CZ 2.9Å; D47-R162 IonicContact OD1-NE 3.56Å; D47-R162 PolarHBondContact OD1-NE 3.23Å; D47-R162 IonicContact OD1-NH2 2.85Å; D47-R162 WeakPolarHBondContact OD2-CD 3.47Å; D47-R162 IonicContact OD2-NE 3.72Å; D47-R162 PolarHBondContact OD2-NE 3.33Å; E155-R162 IonicContact OE1-CZ 3.79Å; E155-R162 IonicContact OE1-NH1 3.68Å; E155-R162 PolarHBondContact OE1-NH1 3.18Å; E155-R162 IonicContact OE1-NH2 2.86Å; E155-R162 IonicContact OE2-NH2 3.88Å; A158-R162 PolarHBondContact O-N 2.91Å; A158-R162 VanDerWaalsContact O-N 3.13Å; E159-R162 WeakPolarHBondContact O-CB 3.32Å; E159-R162 PolarHBondContact O-N 3.37Å; E159-R162 IonicContact OE2-CZ 3.71Å; E159-R162 IonicContact OE2-NH1 2.72Å; E159-R162 PolarHBondContact OE2-NH1 2.89Å; R162-M164 VanDerWaalsContact C-N 3.34Å; R162-M164 PolarHBondContact O-N 2.74Å; R162-N165 WeakPolarHBondContact O-CB 3.12Å; R162-N165 PolarHBondContact O-N 3.32Å; R162-Y166 HydrophobicContact CB-CD2 4.48Å; R162-Y166 HydrophobicContact CB-CE2 4.07Å; R162-Y166 WeakPolarHBondContact O-CD2 3.38Å; R162-Y166 PolarHBondContact O-N 3.41Å
163Q95.6Very high82.6Confident43 Ų4364.8 Ų64.820%0.20133%0.327CS..Hα-helixtrans-57.5-43.4175.6-66.4-58-47.100112.6P110 P141 E159 I160 V161 N165 Y166 A167P110-Q163 HydrophobicContact CB-CB 4.13Å; P141-Q163 HydrophobicContact CG-CG 3.96Å; E159-Q163 WeakPolarHBondContact O-CG 3.35Å; E159-Q163 PolarHBondContact O-N 3.24Å; E159-Q163 PolarHBondContact OE1-NE2 2.79Å; I160-Q163 HydrophobicContact CD1-CB 4.33Å; I160-Q163 PolarHBondContact O-N 3.02Å; V161-Q163 VanDerWaalsContact C-N 3.33Å; V161-Q163 PolarHBondContact O-N 3.03Å; Q163-N165 VanDerWaalsContact C-N 3.31Å; Q163-N165 PolarHBondContact O-N 2.88Å; Q163-Y166 PolarHBondContact O-N 3.08Å; Q163-A167 PolarHBondContact O-N 2.86Å; Q163-A167 VanDerWaalsContact O-N 3.13Å
164M94.6Very high80.1Confident7 Ų773.6 Ų73.63%0.03437%0.368CS..Hα-helixtrans-66.1-32.8175.9-73.7-177.6-72.400112.7Y4 V6 Q76 G77 P110 I160 V161 R162 T168Y4-M164 HydrophobicContact CD1-CB 3.91Å; Y4-M164 HydrophobicContact CD1-CE 3.64Å; Y4-M164 HydrophobicContact CD1-SD 3.9Å; Y4-M164 HydrophobicContact CE1-CB 4.14Å; Y4-M164 HydrophobicContact CG-CE 3.87Å; Y4-M164 HydrophobicContact CG-SD 4.45Å; V6-M164 HydrophobicContact CG2-CE 3.61Å; V6-M164 HydrophobicContact CG2-SD 4.47Å; Q76-M164 VanDerWaalsContact C-SD 3.59Å; Q76-M164 HydrophobicContact CB-CG 4.46Å; Q76-M164 HydrophobicContact CB-SD 3.57Å; Q76-M164 VanDerWaalsContact CB-SD 3.57Å; G77-M164 PolarHBondContact N-SD 3.5Å; G77-M164 VanDerWaalsContact N-SD 3.39Å; P110-M164 HydrophobicContact CB-CB 4.36Å; P110-M164 HydrophobicContact CB-CG 3.56Å; P110-M164 HydrophobicContact CG-CB 4.43Å; P110-M164 HydrophobicContact CG-CG 3.9Å; I160-M164 HydrophobicContact CG1-CE 4.28Å; I160-M164 WeakPolarHBondContact O-CE 3.19Å; I160-M164 WeakPolarHBondContact O-CG 3.05Å; I160-M164 PolarHBondContact O-N 3.41Å; V161-M164 HydrophobicContact CG2-CE 4.18Å; V161-M164 PolarHBondContact O-N 3.24Å; R162-M164 VanDerWaalsContact C-N 3.34Å; R162-M164 PolarHBondContact O-N 2.74Å; M164-T168 WeakPolarHBondContact O-CG2 3.46Å; M164-T168 PolarHBondContact O-N 3.14Å; M164-T168 PolarHBondContact O-OG1 2.98Å
165N91.7Very high77.7Confident46 Ų4678.9 Ų78.925%0.24639%0.39CS..Hα-helixtrans-69.1-43.6175.1-76.1-32.1000112.3K2 Y4 V161 R162 Q163 A167 T168K2-N165 PolarHBondContact NZ-OD1 3.12Å; Y4-N165 WeakPolarHBondContact CE1-OD1 3.43Å; Y4-N165 PolarHBondContact OH-ND2 3.18Å; Y4-N165 VanDerWaalsContact OH-ND2 3.14Å; Y4-N165 PolarHBondContact OH-OD1 3.24Å; V161-N165 PolarHBondContact O-N 2.88Å; V161-N165 PolarHBondContact O-ND2 3.4Å; R162-N165 WeakPolarHBondContact O-CB 3.12Å; R162-N165 PolarHBondContact O-N 3.32Å; Q163-N165 VanDerWaalsContact C-N 3.31Å; Q163-N165 PolarHBondContact O-N 2.88Å; N165-A167 VanDerWaalsContact C-N 3.34Å; N165-A167 PolarHBondContact O-N 3.16Å; N165-T168 PolarHBondContact O-N 3.34Å; N165-T168 VanDerWaalsContact O-N 3.16Å; N165-T168 PolarHBondContact O-OG1 2.84Å
166Y84.1Confident75.2Confident146 Ų14681.3 Ų81.357%0.57341%0.414SS*.Hα-helixtrans-61.7-40.6176.8-69.9-59.9000112.5R162 Q163 T168 L169R162-Y166 HydrophobicContact CB-CD2 4.48Å; R162-Y166 HydrophobicContact CB-CE2 4.07Å; R162-Y166 WeakPolarHBondContact O-CD2 3.38Å; R162-Y166 PolarHBondContact O-N 3.41Å; Q163-Y166 PolarHBondContact O-N 3.08Å; Y166-T168 PolarHBondContact O-N 3.01Å; Y166-L169 HydrophobicContact CD1-CD1 4.2Å; Y166-L169 PolarHBondContact O-N 3.05Å
167A76.4Confident72.7Confident52 Ų5286.5 Ų86.543%0.4345%0.449SS..Hα-helixtrans-67.1-20.3177.900000113.9P110 Q163 N165P110-A167 HydrophobicContact CG-CB 3.62Å; Q163-A167 PolarHBondContact O-N 2.86Å; Q163-A167 VanDerWaalsContact O-N 3.13Å; N165-A167 VanDerWaalsContact C-N 3.34Å; N165-A167 PolarHBondContact O-N 3.16Å
168T66.4Low70.6Confident91 Ų9193.9 Ų93.956%0.55849%0.494SS*.THydrogen-bonded Turntrans-87.5-6.9176.255.50000114.1M164 N165 Y166M164-T168 WeakPolarHBondContact O-CG2 3.46Å; M164-T168 PolarHBondContact O-N 3.14Å; M164-T168 PolarHBondContact O-OG1 2.98Å; N165-T168 PolarHBondContact O-N 3.34Å; N165-T168 VanDerWaalsContact O-N 3.16Å; N165-T168 PolarHBondContact O-OG1 2.84Å; Y166-T168 PolarHBondContact O-N 3.01Å
169L58.6Low68.5Low112 Ų11297 Ų9759%0.58652%0.52SS*.SBendtrans-77127.5175.2-65.7172.3000109.1Y166 E171Y166-L169 HydrophobicContact CD1-CD1 4.2Å; Y166-L169 PolarHBondContact O-N 3.05Å; L169-E171 PolarHBondContact O-N 3.43Å
170P49.8Very low66.1Low114 Ų114101.8 Ų101.874%0.7456%0.555SS**PPolyproline II helixtrans-58.1132.3168.522.9-29000107.8K172P170-K172 PolarHBondContact O-N 2.88Å
171E52.5Low64.2Low144 Ų144108.5 Ų108.567%0.67360%0.596SS**PPolyproline II helixtrans-51.2116.4169.2-67-168.2153.300106.5K108 L169 Q173K108-E171 IonicContact NZ-OE1 3.68Å; K108-E171 PolarHBondContact NZ-OE1 3.37Å; L169-E171 PolarHBondContact O-N 3.43Å; E171-Q173 VanDerWaalsContact C-N 3.28Å; E171-Q173 PolarHBondContact O-N 2.88Å
172K43.5Very low62Low200 Ų200114.7 Ų114.787%0.8763%0.634SS**  trans-57.6103.9169.8-83.6-177.6176.5178.10104.7P170 E174P170-K172 PolarHBondContact O-N 2.88Å; K172-E174 PolarHBondContact O-N 2.96Å
173Q42.1Very low59.4Low178 Ų178125 Ų12583%0.83268%0.683SS**  trans-51.5112.7161.6-81.8-180-9.100104.9E171 Q175E171-Q173 VanDerWaalsContact C-N 3.28Å; E171-Q173 PolarHBondContact O-N 2.88Å; Q173-Q175 PolarHBondContact O-N 2.54Å
174E45.9Very low57.6Low186 Ų186129.1 Ų129.187%0.86971%0.707SS**  trans-55.799.3163-73.7-178.7154.500105.6K172 C176K172-E174 PolarHBondContact O-N 2.96Å; E174-C176 PolarHBondContact O-N 3.49Å
175Q47.2Very low55.7Low179 Ų179135.5 Ų135.584%0.83674%0.743SS**  trans-65.182.6162.4-87.1179.9-16.500106.2Q173 C177Q173-Q175 PolarHBondContact O-N 2.54Å; Q175-C177 PolarHBondContact O-N 3.13Å
176C46.3Very low53.6Low122 Ų122140.4 Ų140.482%0.82477%0.77SS**  trans-70.7123.5161.5-160.50000107.1E174 T178E174-C176 PolarHBondContact O-N 3.49Å; C176-T178 PolarHBondContact O-N 2.6Å
177C45.7Very low51.9Low108 Ų108140.1 Ų140.173%0.7378%0.782SS**  trans-57.2128.3-160-56.80000114.2Q175 A179Q175-C177 PolarHBondContact O-N 3.13Å; C177-A179 HydrophobicContact CB-CB 4.39Å; C177-A179 PolarHBondContact O-N 3.41Å
178T53.2Low50.3Low157 Ų157145.6 Ų145.696%0.96380%0.804SS**  trans-7367.3157.412.90000110.3C176C176-T178 PolarHBondContact O-N 2.6Å
179A55.2Low49.3Very low78 Ų78149.3 Ų149.365%0.64582%0.821SS**  trans-142.563.9174.200000111.9C177C177-A179 HydrophobicContact CB-CB 4.39Å; C177-A179 PolarHBondContact O-N 3.41Å
180C48.5Very low48.6Very low132 Ų132151.9 Ų151.989%0.89284%0.837SS**  trans-136.566.5154.4-780000108.8
181V56.6Low48.5Very low141 Ų141154.8 Ų154.886%0.85585%0.845SS**  trans-110.395.2151.9-179.70000105.9
182V50.8Low48.2Very low130 Ų130155.8 Ų155.879%0.78886%0.859SS**  trans-144.3105.3154.4-171.80000107.9
183Q42.9Very low48.6Very low258 Ų258151.7 Ų151.7100%1.20686%0.858SS**  trans52.70152.4-65.7-179.2-19.900120.1

Retrieved 183 of 183 residues in 309.1 ms (Link to these results)

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