A0A087XK03_POEFO Loading...

Transmembrane protein 208

May function as a negative regulator of endoplasmic reticulum-stress induced autophagy.

AlphaFold DB , UniProt , Accession A0A087XK03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1M42Very low48.5Very low245 Ų245130.1 Ų130.1100%1.20773%0.732SS**  0135.30-68.2173.417800108.1
2K36Very low50.6Low199 Ų199129.4 Ų129.487%0.86572%0.715SS**  trans-53142-174.7-100.3174.9171.8177.30111.2K4K2-K4 PolarHBondContact O-N 3.41Å
3P43.3Very low52.6Low123 Ų123131.2 Ų131.280%0.79971%0.711SS**  trans-60.4122.7171.525.9-30.9000108.4G5P3-G5 PolarHBondContact O-N 2.89Å; P3-G5 VanDerWaalsContact O-N 3.09Å
4K43.7Very low54.4Low172 Ų172128.6 Ų128.675%0.74869%0.692SS**  trans-51.3114.7175.6-112.3177.3171.7-175.90108.2K2 K6 Q96K2-K4 PolarHBondContact O-N 3.41Å; K4-K6 PolarHBondContact O-N 3.34Å; K4-Q96 VanDerWaalsContact CE-OE1 3.29Å
5G37.6Very low56Low62 Ų62121.7 Ų121.764%0.63966%0.655SS**  trans-55.3135.2171.700000108.8P3 V7P3-G5 PolarHBondContact O-N 2.89Å; P3-G5 VanDerWaalsContact O-N 3.09Å; G5-V7 PolarHBondContact O-N 3.12Å
6K41.5Very low57.5Low213 Ų213118.9 Ų118.993%0.92663%0.633SS**  trans-55.4112.3172.8-73.8-179.3175.4-1780107.3K4 G8K4-K6 PolarHBondContact O-N 3.34Å; K6-G8 PolarHBondContact O-N 2.91Å
7V53.4Low59Low105 Ų105119.5 Ų119.564%0.63663%0.631SS**  trans-55.5123.6172.9-176.10000106.4G5 T9G5-V7 PolarHBondContact O-N 3.12Å; V7-T9 PolarHBondContact O-N 3.09Å
8G44.7Very low60.5Low62 Ų62115.6 Ų115.664%0.63961%0.609SS**  trans-57.3125.4-17900000109.9K6 K10K6-G8 PolarHBondContact O-N 2.91Å; G8-K10 PolarHBondContact O-N 3.02Å
9T54.8Low61.8Low143 Ų143109.6 Ų109.688%0.87758%0.577SS**  trans-64.1106174.943.10000109V7V7-T9 PolarHBondContact O-N 3.09Å
10K63.2Low63Low65 Ų65107.8 Ų107.828%0.28357%0.565SS.*  trans-59.1152.4168.9-65.8179.5-171.2162.60109.9G8 I15 E18 D91G8-K10 PolarHBondContact O-N 3.02Å; K10-I15 HydrophobicContact CB-CD1 4.12Å; K10-I15 HydrophobicContact CB-CG1 3.76Å; K10-I15 WeakPolarHBondContact O-CD1 3.42Å; K10-E18 IonicContact NZ-OE2 2.96Å; K10-E18 PolarHBondContact NZ-OE2 3.47Å; K10-D91 IonicContact NZ-OD1 2.75Å; K10-D91 IonicContact NZ-OD2 3.67Å; K10-D91 PolarHBondContact NZ-OD2 3.01Å
11G73.1Confident64.1Low42 Ų42105.4 Ų105.443%0.43356%0.561SS.*  trans-64.8142.9177.900000111.6K13 Q14 I15G11-K13 VanDerWaalsContact C-N 3.26Å; G11-K13 PolarHBondContact O-N 2.9Å; G11-Q14 WeakPolarHBondContact O-CA 3.4Å; G11-Q14 WeakPolarHBondContact O-CB 3.31Å; G11-Q14 PolarHBondContact O-N 2.78Å; G11-I15 PolarHBondContact O-N 3.04Å
12K74.1Confident66.2Low122 Ų12294.9 Ų94.953%0.5351%0.511SS..Hα-helixtrans-52.9-39.9-177.6-60.8-178.7177.2-171.40113.6Y16 L85 L86K12-Y16 PolarHBondContact O-N 2.89Å; K12-Y16 VanDerWaalsContact O-N 3.14Å; K12-L85 HydrophobicContact CB-CD2 4.32Å; K12-L86 WeakPolarHBondContact CD-O 3.17Å; K12-L86 PolarHBondContact NZ-O 3.2Å
13K76.3Confident68.6Low153 Ų15386.6 Ų86.667%0.66548%0.476SS*.Hα-helixtrans-65.6-41.2175.5-71-171.6177.3-173.50112.6G11 Y16 E17 L85G11-K13 VanDerWaalsContact C-N 3.26Å; G11-K13 PolarHBondContact O-N 2.9Å; K13-Y16 PolarHBondContact O-N 2.61Å; K13-E17 PolarHBondContact O-N 3.32Å; K13-L85 HydrophobicContact CG-CD2 4.08Å
14Q78.6Confident70.8Confident94 Ų9485.6 Ų85.644%0.43946%0.459SS..Hα-helixtrans-65.8-42.1178-175.6-178.9-7.900111.1G11 Y16 E17 E18G11-Q14 WeakPolarHBondContact O-CA 3.4Å; G11-Q14 WeakPolarHBondContact O-CB 3.31Å; G11-Q14 PolarHBondContact O-N 2.78Å; Q14-Y16 VanDerWaalsContact C-N 3.3Å; Q14-Y16 PolarHBondContact O-N 3.39Å; Q14-E17 PolarHBondContact O-N 3.17Å; Q14-E18 HydrophobicContact CG-CG 4.32Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.43Å; Q14-E18 PolarHBondContact NE2-OE1 3.18Å; Q14-E18 VanDerWaalsContact O-CB 3.31Å; Q14-E18 WeakPolarHBondContact O-CB 3.48Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 3.14Å
15I78.4Confident73Confident26 Ų2683 Ų8313%0.13345%0.448CS..Hα-helixtrans-59.6-43.8175.4-65.6168.5000110.5K10 G11 N19 D91K10-I15 HydrophobicContact CB-CD1 4.12Å; K10-I15 HydrophobicContact CB-CG1 3.76Å; K10-I15 WeakPolarHBondContact O-CD1 3.42Å; G11-I15 PolarHBondContact O-N 3.04Å; I15-N19 WeakPolarHBondContact O-CB 3.48Å; I15-N19 PolarHBondContact O-N 3.42Å; I15-N19 PolarHBondContact O-ND2 3.35Å; I15-D91 HydrophobicContact CG1-CB 4.48Å; I15-D91 HydrophobicContact CG2-CB 4.05Å
16Y80.1Confident75.5Confident77 Ų7781.5 Ų81.530%0.30242%0.423SS..Hα-helixtrans-61.4-50178173.9-103.7000112.5K12 K13 Q14 N19 E20 P77 F79 L85K12-Y16 PolarHBondContact O-N 2.89Å; K12-Y16 VanDerWaalsContact O-N 3.14Å; K13-Y16 PolarHBondContact O-N 2.61Å; Q14-Y16 VanDerWaalsContact C-N 3.3Å; Q14-Y16 PolarHBondContact O-N 3.39Å; Y16-N19 PolarHBondContact O-N 2.95Å; Y16-E20 PolarHBondContact O-N 2.93Å; Y16-P77 HydrophobicContact CD2-CB 3.87Å; Y16-P77 HydrophobicContact CD2-CG 4.16Å; Y16-P77 HydrophobicContact CE2-CB 4.02Å; Y16-P77 HydrophobicContact CE2-CG 3.81Å; Y16-F79 HydrophobicContact CE2-CZ 4.33Å; Y16-L85 HydrophobicContact CD2-CD1 4.44Å; Y16-L85 HydrophobicContact CG-CD1 4.45Å; Y16-L85 HydrophobicContact CG-CD2 4.41Å
17E83.2Confident77.7Confident128 Ų12873.4 Ų73.460%0.59839%0.391SS*.Hα-helixtrans-64.7-42.3179.3-71.8175.8-175.100112.2K13 Q14 E20 A21K13-E17 PolarHBondContact O-N 3.32Å; Q14-E17 PolarHBondContact O-N 3.17Å; E17-E20 PolarHBondContact O-N 3.39Å; E17-A21 WeakPolarHBondContact O-CB 3.21Å; E17-A21 PolarHBondContact O-N 2.71Å
18E84.5Confident79.5Confident50 Ų5077.2 Ų77.223%0.23440%0.395CS..Hα-helixtrans-64.3-40.7176.3-75.6-178.1-164.300111.8K10 Q14 T22K10-E18 IonicContact NZ-OE2 2.96Å; K10-E18 PolarHBondContact NZ-OE2 3.47Å; Q14-E18 HydrophobicContact CG-CG 4.32Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.43Å; Q14-E18 PolarHBondContact NE2-OE1 3.18Å; Q14-E18 VanDerWaalsContact O-CB 3.31Å; Q14-E18 WeakPolarHBondContact O-CB 3.48Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 3.14Å; E18-T22 VanDerWaalsContact O-CB 3.28Å; E18-T22 WeakPolarHBondContact O-CB 3.11Å; E18-T22 PolarHBondContact O-N 2.95Å; E18-T22 PolarHBondContact O-OG1 3.44Å
19N85.8Confident81.7Confident2 Ų276 Ų761%0.01138%0.375CS..Hα-helixtrans-63.5-45.4176.1-80.1-12000111.2I15 Y16 T22 L23 A75 G88 I90 L92I15-N19 WeakPolarHBondContact O-CB 3.48Å; I15-N19 PolarHBondContact O-N 3.42Å; I15-N19 PolarHBondContact O-ND2 3.35Å; Y16-N19 PolarHBondContact O-N 2.95Å; N19-T22 PolarHBondContact O-N 2.89Å; N19-L23 WeakPolarHBondContact O-CG 3.37Å; N19-L23 PolarHBondContact O-N 3.37Å; N19-A75 HydrophobicContact CB-CB 3.97Å; N19-G88 PolarHBondContact ND2-O 3.44Å; N19-I90 PolarHBondContact ND2-O 3.19Å; N19-L92 HydrophobicContact CB-CD1 4.43Å; N19-L92 WeakPolarHBondContact OD1-CB 3.31Å; N19-L92 WeakPolarHBondContact OD1-CG 3.42Å; N19-L92 PolarHBondContact OD1-N 3.46Å
20E85.3Confident83.3Confident72 Ų7270.3 Ų70.334%0.33634%0.338SS..Hα-helixtrans-64.3-44.4178.3-166.1-171.4163.400111.7Y16 E17 T22 L23 K24Y16-E20 PolarHBondContact O-N 2.93Å; E17-E20 PolarHBondContact O-N 3.39Å; E20-T22 VanDerWaalsContact C-N 3.32Å; E20-T22 PolarHBondContact O-N 3.46Å; E20-L23 PolarHBondContact O-N 3.4Å; E20-K24 HydrophobicContact CG-CD 4.47Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CG 3.35Å; E20-K24 PolarHBondContact O-N 3.43Å; E20-K24 WeakPolarHBondContact OE1-CE 3.37Å; E20-K24 IonicContact OE1-NZ 3.86Å; E20-K24 PolarHBondContact OE1-NZ 2.97Å
21A87.3Confident84.6Confident59 Ų5972.5 Ų72.549%0.48835%0.353SS..Hα-helixtrans-60.4-42.9175.100000111.7E17 K24 F25E17-A21 WeakPolarHBondContact O-CB 3.21Å; E17-A21 PolarHBondContact O-N 2.71Å; A21-K24 PolarHBondContact O-N 2.98Å; A21-F25 WeakPolarHBondContact O-CB 3.28Å; A21-F25 PolarHBondContact O-N 3.03Å
22T86.1Confident85.4Confident24 Ų2472 Ų7215%0.14735%0.347CS..Hα-helixtrans-61.2-50.7177.2-61.60000110.6E18 N19 E20 K24 F25 Y26 L92E18-T22 VanDerWaalsContact O-CB 3.28Å; E18-T22 WeakPolarHBondContact O-CB 3.11Å; E18-T22 PolarHBondContact O-N 2.95Å; E18-T22 PolarHBondContact O-OG1 3.44Å; N19-T22 PolarHBondContact O-N 2.89Å; E20-T22 VanDerWaalsContact C-N 3.32Å; E20-T22 PolarHBondContact O-N 3.46Å; T22-K24 VanDerWaalsContact C-N 3.34Å; T22-K24 PolarHBondContact O-N 2.8Å; T22-F25 WeakPolarHBondContact O-CB 3.16Å; T22-F25 PolarHBondContact O-N 3.47Å; T22-Y26 HydrophobicContact CG2-CD2 3.85Å; T22-Y26 HydrophobicContact CG2-CE2 3.77Å; T22-Y26 VanDerWaalsContact O-CD2 3.25Å; T22-Y26 WeakPolarHBondContact O-CD2 3.46Å; T22-Y26 PolarHBondContact O-N 2.9Å; T22-L92 HydrophobicContact CG2-CB 4.45Å; T22-L92 HydrophobicContact CG2-CD1 4.29Å
23L86.9Confident86.1Confident24 Ų2466.4 Ų66.413%0.12632%0.324CS..Hα-helixtrans-58-46.5177.8-74.2176.8000111.7N19 E20 F25 Y26 T27 Y68 M71 A75 L92N19-L23 WeakPolarHBondContact O-CG 3.37Å; N19-L23 PolarHBondContact O-N 3.37Å; E20-L23 PolarHBondContact O-N 3.4Å; L23-F25 VanDerWaalsContact C-N 3.32Å; L23-F25 PolarHBondContact O-N 2.88Å; L23-Y26 PolarHBondContact O-N 2.9Å; L23-T27 WeakPolarHBondContact O-CB 3.33Å; L23-T27 PolarHBondContact O-N 3.44Å; L23-T27 PolarHBondContact O-OG1 3.46Å; L23-Y68 HydrophobicContact CD2-CD2 4.42Å; L23-Y68 HydrophobicContact CD2-CE2 4.09Å; L23-M71 HydrophobicContact CD2-CB 3.85Å; L23-A75 HydrophobicContact CD1-CB 4.01Å; L23-L92 HydrophobicContact CD2-CD1 4.12Å; L23-L92 HydrophobicContact CG-CD1 4.09Å
24K88.9Confident86.7Confident103 Ų10360.8 Ų60.845%0.44830%0.301SS..Hα-helixtrans-59.7-41.5177-75.4175.4-176.1167.80112.2E20 A21 T22 T27 R28E20-K24 HydrophobicContact CG-CD 4.47Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 WeakPolarHBondContact O-CG 3.35Å; E20-K24 PolarHBondContact O-N 3.43Å; E20-K24 WeakPolarHBondContact OE1-CE 3.37Å; E20-K24 IonicContact OE1-NZ 3.86Å; E20-K24 PolarHBondContact OE1-NZ 2.97Å; A21-K24 PolarHBondContact O-N 2.98Å; T22-K24 VanDerWaalsContact C-N 3.34Å; T22-K24 PolarHBondContact O-N 2.8Å; K24-T27 PolarHBondContact O-N 3.07Å; K24-R28 WeakPolarHBondContact O-CG 3.16Å; K24-R28 PolarHBondContact O-N 3.16Å
25F90.4Very high87.1Confident116 Ų11659.2 Ų59.251%0.50930%0.304SS..Hα-helixtrans-59.7-51.9176.7176.2-97000111.2A21 T22 L23 T27 R28 V29A21-F25 WeakPolarHBondContact O-CB 3.28Å; A21-F25 PolarHBondContact O-N 3.03Å; T22-F25 WeakPolarHBondContact O-CB 3.16Å; T22-F25 PolarHBondContact O-N 3.47Å; L23-F25 VanDerWaalsContact C-N 3.32Å; L23-F25 PolarHBondContact O-N 2.88Å; F25-T27 PolarHBondContact O-N 3.24Å; F25-R28 WeakPolarHBondContact O-CB 3.31Å; F25-R28 PolarHBondContact O-N 3.02Å; F25-R28 VanDerWaalsContact O-N 3.16Å; F25-V29 HydrophobicContact CD1-CG2 4.37Å; F25-V29 HydrophobicContact CE1-CG2 3.98Å; F25-V29 HydrophobicContact CZ-CG2 4.08Å; F25-V29 WeakPolarHBondContact O-CG2 3.47Å; F25-V29 PolarHBondContact O-N 2.81Å
26Y88.9Confident87.6Confident31 Ų3162 Ų6212%0.12232%0.318CS..Hα-helixtrans-67.2-34.5179.9-76.2-78000112.9T22 L23 R28 V29 I30 K103 I106T22-Y26 HydrophobicContact CG2-CD2 3.85Å; T22-Y26 HydrophobicContact CG2-CE2 3.77Å; T22-Y26 VanDerWaalsContact O-CD2 3.25Å; T22-Y26 WeakPolarHBondContact O-CD2 3.46Å; T22-Y26 PolarHBondContact O-N 2.9Å; L23-Y26 PolarHBondContact O-N 2.9Å; Y26-R28 VanDerWaalsContact C-N 3.33Å; Y26-R28 PolarHBondContact O-N 3.34Å; Y26-V29 PolarHBondContact O-N 3.26Å; Y26-I30 VanDerWaalsContact O-CG1 3.28Å; Y26-I30 WeakPolarHBondContact O-CG1 3.29Å; Y26-I30 PolarHBondContact O-N 3.47Å; Y26-K103 HydrophobicContact CD2-CG 4.35Å; Y26-K103 HydrophobicContact CE1-CB 4.01Å; Y26-K103 HydrophobicContact CE1-CG 4.19Å; Y26-K103 HydrophobicContact CE2-CB 4.25Å; Y26-K103 HydrophobicContact CE2-CD 3.92Å; Y26-K103 HydrophobicContact CE2-CG 3.56Å; Y26-K103 VanDerWaalsContact CZ-CG 3.46Å; Y26-K103 WeakPolarHBondContact OH-CB 3.33Å; Y26-K103 WeakPolarHBondContact OH-CD 3.31Å; Y26-K103 WeakPolarHBondContact OH-CG 3.49Å; Y26-I106 HydrophobicContact CD1-CB 4.24Å; Y26-I106 HydrophobicContact CD1-CG2 3.91Å
27T88.1Confident87.8Confident43 Ų4359 Ų5926%0.26431%0.306SS..Hα-helixtrans-59.8-43.8171.5-600000111.3L23 K24 F25 V29 I30 L31 Y68L23-T27 WeakPolarHBondContact O-CB 3.33Å; L23-T27 PolarHBondContact O-N 3.44Å; L23-T27 PolarHBondContact O-OG1 3.46Å; K24-T27 PolarHBondContact O-N 3.07Å; F25-T27 PolarHBondContact O-N 3.24Å; T27-V29 VanDerWaalsContact C-N 3.33Å; T27-V29 PolarHBondContact O-N 3.42Å; T27-I30 PolarHBondContact O-N 3.47Å; T27-L31 HydrophobicContact CG2-CD1 4Å; T27-L31 HydrophobicContact CG2-CG 4.37Å; T27-L31 WeakPolarHBondContact O-CB 3.31Å; T27-L31 VanDerWaalsContact O-CG 3.31Å; T27-L31 WeakPolarHBondContact O-CG 3.43Å; T27-L31 PolarHBondContact O-N 3.43Å; T27-Y68 WeakPolarHBondContact OG1-CE2 3.35Å
28R90.1Very high87.7Confident186 Ų18654.8 Ų54.870%0.70229%0.294SS*.Hα-helixtrans-63.4-39.3176.1-71.9174.4-172.3170.61.9112K24 F25 Y26 L31 G32K24-R28 WeakPolarHBondContact O-CG 3.16Å; K24-R28 PolarHBondContact O-N 3.16Å; F25-R28 WeakPolarHBondContact O-CB 3.31Å; F25-R28 PolarHBondContact O-N 3.02Å; F25-R28 VanDerWaalsContact O-N 3.16Å; Y26-R28 VanDerWaalsContact C-N 3.33Å; Y26-R28 PolarHBondContact O-N 3.34Å; R28-L31 PolarHBondContact O-N 2.91Å; R28-G32 PolarHBondContact O-N 2.89Å
29V90.8Very high87.7Confident37 Ų3754.7 Ų54.722%0.22430%0.301CS..Hα-helixtrans-62.1-47.3175.3172.80000110.9F25 Y26 T27 L31 G32 A33 A110F25-V29 HydrophobicContact CD1-CG2 4.37Å; F25-V29 HydrophobicContact CE1-CG2 3.98Å; F25-V29 HydrophobicContact CZ-CG2 4.08Å; F25-V29 WeakPolarHBondContact O-CG2 3.47Å; F25-V29 PolarHBondContact O-N 2.81Å; Y26-V29 PolarHBondContact O-N 3.26Å; T27-V29 VanDerWaalsContact C-N 3.33Å; T27-V29 PolarHBondContact O-N 3.42Å; V29-L31 PolarHBondContact O-N 2.99Å; V29-G32 PolarHBondContact O-N 3.44Å; V29-A33 WeakPolarHBondContact O-CB 3.32Å; V29-A33 PolarHBondContact O-N 3.47Å; V29-A110 HydrophobicContact CG1-CB 3.86Å
30I89.8Confident87.4Confident22 Ų2256.4 Ų56.411%0.11331%0.312CS..Hα-helixtrans-61.2-46.7177.8-66.7165.1000110.9Y26 T27 A33 N34 Y64 I106Y26-I30 VanDerWaalsContact O-CG1 3.28Å; Y26-I30 WeakPolarHBondContact O-CG1 3.29Å; Y26-I30 PolarHBondContact O-N 3.47Å; T27-I30 PolarHBondContact O-N 3.47Å; I30-A33 PolarHBondContact O-N 3.4Å; I30-N34 WeakPolarHBondContact O-CB 3.39Å; I30-N34 PolarHBondContact O-N 3.4Å; I30-N34 PolarHBondContact O-ND2 3.04Å; I30-Y64 HydrophobicContact CD1-CD1 4.1Å; I30-Y64 HydrophobicContact CD1-CG 4.34Å; I30-Y64 HydrophobicContact CG1-CD1 3.68Å; I30-Y64 HydrophobicContact CG1-CE1 4.08Å; I30-Y64 HydrophobicContact CG1-CG 4.09Å; I30-Y64 HydrophobicContact CG2-CD1 4.19Å; I30-Y64 HydrophobicContact CG2-CD2 3.85Å; I30-Y64 HydrophobicContact CG2-CE2 4.31Å; I30-Y64 HydrophobicContact CG2-CG 3.78Å; I30-I106 HydrophobicContact CD1-CD1 3.95Å; I30-I106 HydrophobicContact CD1-CG2 3.9Å; I30-I106 HydrophobicContact CG1-CG2 3.64Å
31L89.8Confident87Confident112 Ų11254.5 Ų54.559%0.58630%0.304SS*.Hα-helixtrans-63.8-42.6178.6-72.1175.5000111.5T27 R28 V29 N34 A35T27-L31 HydrophobicContact CG2-CD1 4Å; T27-L31 HydrophobicContact CG2-CG 4.37Å; T27-L31 WeakPolarHBondContact O-CB 3.31Å; T27-L31 VanDerWaalsContact O-CG 3.31Å; T27-L31 WeakPolarHBondContact O-CG 3.43Å; T27-L31 PolarHBondContact O-N 3.43Å; R28-L31 PolarHBondContact O-N 2.91Å; V29-L31 PolarHBondContact O-N 2.99Å; L31-N34 PolarHBondContact O-N 2.96Å; L31-A35 VanDerWaalsContact O-CB 3.24Å; L31-A35 WeakPolarHBondContact O-CB 3.43Å; L31-A35 PolarHBondContact O-N 2.89Å
32G90.4Very high86.3Confident30 Ų3059 Ų5931%0.30931%0.313SS..Hα-helixtrans-61.7-47.1176.500000112.5R28 V29 N34 A35 I36R28-G32 PolarHBondContact O-N 2.89Å; V29-G32 PolarHBondContact O-N 3.44Å; G32-N34 PolarHBondContact O-N 3.31Å; G32-A35 PolarHBondContact O-N 3.03Å; G32-I36 VanDerWaalsContact O-CG1 3.29Å; G32-I36 WeakPolarHBondContact O-CG1 3.5Å; G32-I36 PolarHBondContact O-N 3.18Å
33A89.4Confident85.4Confident5 Ų565 Ų654%0.04134%0.343CS..Hα-helixtrans-61.8-43.4177.500000112V29 I30 Y37 A110 V114V29-A33 WeakPolarHBondContact O-CB 3.32Å; V29-A33 PolarHBondContact O-N 3.47Å; I30-A33 PolarHBondContact O-N 3.4Å; A33-Y37 VanDerWaalsContact O-CB 3.31Å; A33-Y37 WeakPolarHBondContact O-CB 3.39Å; A33-Y37 PolarHBondContact O-N 2.93Å; A33-A110 HydrophobicContact CB-CB 3.87Å; A33-V114 HydrophobicContact CB-CG2 4.12Å
34N88.1Confident84.3Confident36 Ų3668.3 Ų68.319%0.19336%0.364CS..Hα-helixtrans-66.7-40175.8-80.5-72.6000112.6I30 L31 G32 Y37 A38 Q113I30-N34 WeakPolarHBondContact O-CB 3.39Å; I30-N34 PolarHBondContact O-N 3.4Å; I30-N34 PolarHBondContact O-ND2 3.04Å; L31-N34 PolarHBondContact O-N 2.96Å; G32-N34 PolarHBondContact O-N 3.31Å; N34-Y37 PolarHBondContact O-N 3.4Å; N34-A38 VanDerWaalsContact O-CB 3.23Å; N34-A38 WeakPolarHBondContact O-CB 3.44Å; N34-A38 PolarHBondContact O-N 2.93Å; N34-Q113 PolarHBondContact OD1-NE2 3.49Å; N34-Q113 VanDerWaalsContact OD1-NE2 3.13Å
35A87.9Confident83.1Confident60 Ų6067.5 Ų67.550%0.49636%0.361SS..Hα-helixtrans-63.1-45.4177.300000111.6L31 G32 A39L31-A35 VanDerWaalsContact O-CB 3.24Å; L31-A35 WeakPolarHBondContact O-CB 3.43Å; L31-A35 PolarHBondContact O-N 2.89Å; G32-A35 PolarHBondContact O-N 3.03Å; A35-A39 VanDerWaalsContact O-CB 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.06Å
36I87.1Confident81.5Confident84 Ų8471.4 Ų71.443%0.43137%0.373SS..Hα-helixtrans-61.8-47.9175.7-67.2165.8000110.1G32 A38 A39 V40 V114G32-I36 VanDerWaalsContact O-CG1 3.29Å; G32-I36 WeakPolarHBondContact O-CG1 3.5Å; G32-I36 PolarHBondContact O-N 3.18Å; I36-A38 PolarHBondContact O-N 3.32Å; I36-A39 PolarHBondContact O-N 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.46Å; I36-V40 PolarHBondContact O-N 2.92Å; I36-V114 HydrophobicContact CB-CG2 4.5Å; I36-V114 HydrophobicContact CD1-CG2 4.3Å; I36-V114 HydrophobicContact CG2-CG1 4.29Å; I36-V114 HydrophobicContact CG2-CG2 4.38Å
37Y84Confident79.9Confident15 Ų1575.7 Ų75.76%0.05941%0.408CS..Hα-helixtrans-61.2-47.3-179.7-171.1-85000111.9A33 N34 V40 N41 L57 Q113 S116 T117A33-Y37 VanDerWaalsContact O-CB 3.31Å; A33-Y37 WeakPolarHBondContact O-CB 3.39Å; A33-Y37 PolarHBondContact O-N 2.93Å; N34-Y37 PolarHBondContact O-N 3.4Å; Y37-V40 PolarHBondContact O-N 2.92Å; Y37-N41 HydrophobicContact CD1-CB 4.46Å; Y37-N41 HydrophobicContact CE1-CB 4.26Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.25Å; Y37-N41 VanDerWaalsContact O-CB 3.25Å; Y37-N41 WeakPolarHBondContact O-CB 3.41Å; Y37-N41 PolarHBondContact O-N 3.26Å; Y37-L57 HydrophobicContact CD1-CD1 3.48Å; Y37-L57 VanDerWaalsContact CD1-CD1 3.48Å; Y37-L57 HydrophobicContact CE1-CD1 3.18Å; Y37-L57 HydrophobicContact CE1-CG 4.45Å; Y37-Q113 VanDerWaalsContact CB-NE2 3.35Å; Y37-Q113 HydrophobicContact CD2-CG 3.45Å; Y37-Q113 VanDerWaalsContact CD2-CG 3.45Å; Y37-Q113 WeakPolarHBondContact CD2-O 3.36Å; Y37-Q113 HydrophobicContact CE2-CG 4.18Å; Y37-Q113 HydrophobicContact CG-CG 3.81Å; Y37-S116 WeakPolarHBondContact CE2-OG 3.48Å; Y37-T117 HydrophobicContact CD2-CG2 3.49Å; Y37-T117 VanDerWaalsContact CD2-CG2 3.49Å; Y37-T117 HydrophobicContact CE2-CG2 4.07Å; Y37-T117 HydrophobicContact CG-CG2 4.21Å
38A81.9Confident78.6Confident40 Ų4077.8 Ų77.833%0.33142%0.424SS..Hα-helixtrans-61.8-46.4177.400000111.1N34 I36 V40 N41 F42N34-A38 VanDerWaalsContact O-CB 3.23Å; N34-A38 WeakPolarHBondContact O-CB 3.44Å; N34-A38 PolarHBondContact O-N 2.93Å; I36-A38 PolarHBondContact O-N 3.32Å; A38-V40 VanDerWaalsContact C-N 3.35Å; A38-V40 PolarHBondContact O-N 2.77Å; A38-N41 PolarHBondContact O-N 2.75Å; A38-F42 HydrophobicContact CB-CD2 4.43Å; A38-F42 WeakPolarHBondContact O-CB 3.4Å; A38-F42 VanDerWaalsContact O-CD2 3.29Å; A38-F42 WeakPolarHBondContact O-CD2 3.31Å; A38-F42 PolarHBondContact O-N 2.96Å
39A84.8Confident77.2Confident47 Ų4770.6 Ų70.639%0.38840%0.402SS..Hα-helixtrans-57.2-47.217800000111.5A35 I36 L43A35-A39 VanDerWaalsContact O-CB 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.06Å; I36-A39 PolarHBondContact O-N 3.24Å; A39-L43 WeakPolarHBondContact O-CB 3.28Å; A39-L43 WeakPolarHBondContact O-CD1 3.34Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.23Å
40V80.1Confident76.4Confident39 Ų3972.8 Ų72.824%0.23642%0.416CS..Hα-helixtrans-68.8-41.2179.1179.50000111.7I36 Y37 A38 L43 V44 F45 T117I36-V40 WeakPolarHBondContact O-CG2 3.46Å; I36-V40 PolarHBondContact O-N 2.92Å; Y37-V40 PolarHBondContact O-N 2.92Å; A38-V40 VanDerWaalsContact C-N 3.35Å; A38-V40 PolarHBondContact O-N 2.77Å; V40-L43 PolarHBondContact O-N 3.22Å; V40-V44 HydrophobicContact CG1-CB 4.38Å; V40-V44 HydrophobicContact CG1-CG2 4.16Å; V40-V44 WeakPolarHBondContact O-CB 3.2Å; V40-V44 PolarHBondContact O-N 2.84Å; V40-F45 HydrophobicContact CG1-CD2 4.5Å; V40-F45 HydrophobicContact CG1-CE2 4.49Å; V40-T117 HydrophobicContact CB-CG2 4.15Å; V40-T117 HydrophobicContact CG1-CG2 4.4Å; V40-T117 HydrophobicContact CG2-CG2 4.45Å
41N75.9Confident75.9Confident32 Ų3278.8 Ų78.817%0.17144%0.442CS..Hα-helixtrans-65.7-42.7-179.2-152.3-58.6000111.4Y37 A38 F45 Y46 S49Y37-N41 HydrophobicContact CD1-CB 4.46Å; Y37-N41 HydrophobicContact CE1-CB 4.26Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.25Å; Y37-N41 VanDerWaalsContact O-CB 3.25Å; Y37-N41 WeakPolarHBondContact O-CB 3.41Å; Y37-N41 PolarHBondContact O-N 3.26Å; A38-N41 PolarHBondContact O-N 2.75Å; N41-F45 CarbonylContact O-C 3.48Å; N41-F45 PolarHBondContact O-N 3.37Å; N41-F45 VanDerWaalsContact O-N 3.16Å; N41-Y46 PolarHBondContact O-N 3.39Å; N41-S49 PolarHBondContact OD1-OG 3.46Å
42F72.6Confident75.3Confident154 Ų15481.5 Ų81.568%0.67544%0.444SS*.Hα-helixtrans-67.4-40.4174.8-87.6-73.7000113.2A38A38-F42 HydrophobicContact CB-CD2 4.43Å; A38-F42 WeakPolarHBondContact O-CB 3.4Å; A38-F42 VanDerWaalsContact O-CD2 3.29Å; A38-F42 WeakPolarHBondContact O-CD2 3.31Å; A38-F42 PolarHBondContact O-N 2.96Å
43L68.2Low74.7Confident148 Ų14881.9 Ų81.978%0.77544%0.441SS*.Hα-helixtrans-81.3-32.7-174.8-69.6171.4000113.9A39 V40A39-L43 WeakPolarHBondContact O-CB 3.28Å; A39-L43 WeakPolarHBondContact O-CD1 3.34Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.23Å; V40-L43 PolarHBondContact O-N 3.22Å
44V63.3Low74.3Confident94 Ų9488.7 Ų88.757%0.5747%0.465SS*.Hα-helixtrans-114.1-33.9-168.2-175.10000112.8V40V40-V44 HydrophobicContact CG1-CB 4.38Å; V40-V44 HydrophobicContact CG1-CG2 4.16Å; V40-V44 WeakPolarHBondContact O-CB 3.2Å; V40-V44 PolarHBondContact O-N 2.84Å
45F62.8Low74.2Confident87 Ų8790.3 Ų90.338%0.38247%0.474SS..  trans-121.819.1-165.4-68.2-74.8000115.3V40 N41 S47 S48 S49V40-F45 HydrophobicContact CG1-CD2 4.5Å; V40-F45 HydrophobicContact CG1-CE2 4.49Å; N41-F45 CarbonylContact O-C 3.48Å; N41-F45 PolarHBondContact O-N 3.37Å; N41-F45 VanDerWaalsContact O-N 3.16Å; F45-S47 PolarHBondContact O-N 2.84Å; F45-S48 PolarHBondContact O-N 2.9Å; F45-S49 PolarHBondContact O-N 2.83Å
46Y58.2Low74Confident197 Ų19789.8 Ų89.877%0.77346%0.462SS*.THydrogen-bonded Turntrans-49.2-32.6-179.3-171.1-99.6000113.7N41N41-Y46 PolarHBondContact O-N 3.39Å
47S55Low73.9Confident122 Ų12287.3 Ų87.385%0.85345%0.45SS*.THydrogen-bonded Turntrans-98.9-9.6180-166.20000115.7F45F45-S47 PolarHBondContact O-N 2.84Å
48S59.8Low74Confident86 Ų8692 Ų9260%0.60148%0.475SS*.THydrogen-bonded Turntrans-116.17.7-171.1-87.90000114.2F45 T50F45-S48 PolarHBondContact O-N 2.9Å; S48-T50 PolarHBondContact O-N 2.86Å; S48-T50 VanDerWaalsContact O-N 3.08Å
49S62Low74.3Confident35 Ų3594.1 Ų94.125%0.24548%0.477CS..  trans-72.9100.9179.5-82.70000112.1N41 F45N41-S49 PolarHBondContact OD1-OG 3.46Å; F45-S49 PolarHBondContact O-N 2.83Å
50T73.8Confident74.5Confident84 Ų8491.9 Ų91.952%0.51546%0.459SS..  trans-73.4151.7174.7-52.20000111.3S48 W52 T53S48-T50 PolarHBondContact O-N 2.86Å; S48-T50 VanDerWaalsContact O-N 3.08Å; T50-W52 PolarHBondContact O-N 3.32Å; T50-T53 WeakPolarHBondContact O-CB 3.25Å; T50-T53 PolarHBondContact O-N 3.44Å; T50-T53 PolarHBondContact O-OG1 3.14Å
51F78.5Confident74.9Confident147 Ų14793 Ų9365%0.64546%0.463SS*.Hα-helixtrans-43.2-40.4173.4174.9-100.3000114.2T53 W54 L55F51-T53 VanDerWaalsContact C-N 3.31Å; F51-T53 PolarHBondContact O-N 2.95Å; F51-W54 PolarHBondContact O-N 3.46Å; F51-L55 HydrophobicContact CE1-CD1 3.82Å; F51-L55 HydrophobicContact CZ-CD1 4.06Å; F51-L55 PolarHBondContact O-N 2.91Å
52W78.4Confident75.5Confident170 Ų17094.5 Ų94.564%0.64448%0.48SS*.Hα-helixtrans-59.9-34.9177.7-73.1110.7000114.3T50 L55 L56T50-W52 PolarHBondContact O-N 3.32Å; W52-L55 HydrophobicContact CE3-CD2 4.42Å; W52-L55 HydrophobicContact CZ3-CD2 4.42Å; W52-L55 PolarHBondContact O-N 2.94Å; W52-L56 WeakPolarHBondContact O-CB 3.46Å; W52-L56 VanDerWaalsContact O-CG 3.27Å; W52-L56 WeakPolarHBondContact O-CG 3.29Å; W52-L56 PolarHBondContact O-N 3.3Å
53T77.1Confident76.4Confident38 Ų3888.2 Ų88.223%0.23345%0.454CS..Hα-helixtrans-67.4-41.3178.3610000111.3T50 F51 L57T50-T53 WeakPolarHBondContact O-CB 3.25Å; T50-T53 PolarHBondContact O-N 3.44Å; T50-T53 PolarHBondContact O-OG1 3.14Å; F51-T53 VanDerWaalsContact C-N 3.31Å; F51-T53 PolarHBondContact O-N 2.95Å; T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 PolarHBondContact O-N 2.83Å
54W80.4Confident77.3Confident147 Ų14781.5 Ų81.556%0.55742%0.418SS*.Hα-helixtrans-66.3-41.3174.5-69.898000112.3F51 L57 L58F51-W54 PolarHBondContact O-N 3.46Å; W54-L57 PolarHBondContact O-N 3.47Å; W54-L58 WeakPolarHBondContact O-CB 3.24Å; W54-L58 WeakPolarHBondContact O-CG 3.28Å; W54-L58 PolarHBondContact O-N 2.83Å
55L85.9Confident78.5Confident70 Ų7080.9 Ų80.937%0.36642%0.415SS..Hα-helixtrans-62.9-45.8176.8-174.1147.7000111.6F51 W52 L57 L58 F59F51-L55 HydrophobicContact CE1-CD1 3.82Å; F51-L55 HydrophobicContact CZ-CD1 4.06Å; F51-L55 PolarHBondContact O-N 2.91Å; W52-L55 HydrophobicContact CE3-CD2 4.42Å; W52-L55 HydrophobicContact CZ3-CD2 4.42Å; W52-L55 PolarHBondContact O-N 2.94Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.43Å; L55-L58 PolarHBondContact O-N 3.34Å; L55-F59 WeakPolarHBondContact O-CB 3.23Å; L55-F59 PolarHBondContact O-N 2.89Å
56L84.4Confident79.7Confident49 Ų4978.4 Ų78.426%0.25741%0.413SS..Hα-helixtrans-66.4-35.4177.3-71.3168.1000112.2W52 F59 A60 W123W52-L56 WeakPolarHBondContact O-CB 3.46Å; W52-L56 VanDerWaalsContact O-CG 3.27Å; W52-L56 WeakPolarHBondContact O-CG 3.29Å; W52-L56 PolarHBondContact O-N 3.3Å; L56-F59 WeakPolarHBondContact O-CB 3.42Å; L56-F59 PolarHBondContact O-N 3.47Å; L56-A60 WeakPolarHBondContact O-CB 3.11Å; L56-A60 PolarHBondContact O-N 3.5Å; L56-W123 HydrophobicContact CB-CD2 4.04Å; L56-W123 HydrophobicContact CB-CE3 4.12Å; L56-W123 HydrophobicContact CB-CH2 3.73Å; L56-W123 HydrophobicContact CB-CZ2 3.64Å; L56-W123 HydrophobicContact CB-CZ3 3.97Å; L56-W123 HydrophobicContact CD1-CB 4.39Å; L56-W123 HydrophobicContact CD1-CD2 3.82Å; L56-W123 HydrophobicContact CD1-CE3 4.42Å; L56-W123 HydrophobicContact CD1-CG 3.78Å; L56-W123 HydrophobicContact CD2-CD2 4.2Å; L56-W123 HydrophobicContact CD2-CE3 3.95Å; L56-W123 HydrophobicContact CD2-CZ3 4.33Å; L56-W123 HydrophobicContact CG-CD2 4.25Å; L56-W123 HydrophobicContact CG-CE3 4.39Å; L56-W123 VanDerWaalsContact O-CH2 3.31Å; L56-W123 WeakPolarHBondContact O-CH2 3.48Å
57L83.7Confident81.1Confident32 Ų3269.5 Ų69.517%0.16838%0.38CS..Hα-helixtrans-65.6-47.1173179.5138.7000112Y37 T53 W54 L55 F59 A60 L61Y37-L57 HydrophobicContact CD1-CD1 3.48Å; Y37-L57 VanDerWaalsContact CD1-CD1 3.48Å; Y37-L57 HydrophobicContact CE1-CD1 3.18Å; Y37-L57 HydrophobicContact CE1-CG 4.45Å; T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 PolarHBondContact O-N 2.83Å; W54-L57 PolarHBondContact O-N 3.47Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.43Å; L57-F59 PolarHBondContact O-N 3.01Å; L57-A60 PolarHBondContact O-N 3.47Å; L57-L61 HydrophobicContact CD2-CD1 3.65Å; L57-L61 HydrophobicContact CD2-CG 4.32Å; L57-L61 HydrophobicContact CG-CD1 4.48Å; L57-L61 WeakPolarHBondContact O-CG 3.21Å; L57-L61 PolarHBondContact O-N 2.9Å
58L87.1Confident82.6Confident113 Ų11367.8 Ų67.859%0.59236%0.355SS*.Hα-helixtrans-59.5-39.3175.3-77.3173.6000111.4W54 L55 L61 A62W54-L58 WeakPolarHBondContact O-CB 3.24Å; W54-L58 WeakPolarHBondContact O-CG 3.28Å; W54-L58 PolarHBondContact O-N 2.83Å; L55-L58 PolarHBondContact O-N 3.34Å; L58-L61 PolarHBondContact O-N 3.25Å; L58-A62 WeakPolarHBondContact O-CB 3.29Å; L58-A62 PolarHBondContact O-N 3.48Å
59F88.7Confident83.9Confident86 Ų8672.3 Ų72.338%0.37736%0.36SS..Hα-helixtrans-63.4-47.7175.1-179.2-105.4000112.3L55 L56 L57 L61 A62 V63 W126L55-F59 WeakPolarHBondContact O-CB 3.23Å; L55-F59 PolarHBondContact O-N 2.89Å; L56-F59 WeakPolarHBondContact O-CB 3.42Å; L56-F59 PolarHBondContact O-N 3.47Å; L57-F59 PolarHBondContact O-N 3.01Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.09Å; F59-A62 WeakPolarHBondContact O-CB 3.49Å; F59-A62 PolarHBondContact O-N 2.97Å; F59-V63 HydrophobicContact CD1-CG2 4.46Å; F59-V63 HydrophobicContact CE1-CG2 4.13Å; F59-V63 HydrophobicContact CE2-CG2 4.46Å; F59-V63 HydrophobicContact CZ-CG2 4.14Å; F59-V63 WeakPolarHBondContact O-CG2 3.32Å; F59-V63 PolarHBondContact O-N 3.23Å; F59-W126 HydrophobicContact CD1-CZ2 4.49Å; F59-W126 AromaticContact CE1-CD2 3.88Å; F59-W126 HydrophobicContact CE1-CD2 3.88Å; F59-W126 AromaticContact CE1-CE2 3.62Å; F59-W126 AromaticContact CE1-CE3 3.79Å; F59-W126 HydrophobicContact CE1-CE3 3.79Å; F59-W126 AromaticContact CE1-CH2 3.31Å; F59-W126 HydrophobicContact CE1-CH2 3.31Å; F59-W126 AromaticContact CE1-CZ2 3.35Å; F59-W126 HydrophobicContact CE1-CZ2 3.35Å; F59-W126 AromaticContact CE1-CZ3 3.51Å; F59-W126 HydrophobicContact CE1-CZ3 3.51Å; F59-W126 HydrophobicContact CE2-CH2 4.47Å; F59-W126 HydrophobicContact CZ-CE3 4.26Å; F59-W126 AromaticContact CZ-CH2 3.18Å; F59-W126 HydrophobicContact CZ-CH2 3.18Å; F59-W126 AromaticContact CZ-CZ2 3.63Å; F59-W126 HydrophobicContact CZ-CZ2 3.63Å; F59-W126 AromaticContact CZ-CZ3 3.51Å; F59-W126 HydrophobicContact CZ-CZ3 3.51Å
60A87.8Confident84.9Confident0 Ų073.2 Ų73.20%037%0.366CS..Hα-helixtrans-60.1-41.1175.300000112L56 L57 V63 Y64 T109 W123L56-A60 WeakPolarHBondContact O-CB 3.11Å; L56-A60 PolarHBondContact O-N 3.5Å; L57-A60 PolarHBondContact O-N 3.47Å; A60-V63 PolarHBondContact O-N 3.36Å; A60-Y64 HydrophobicContact CB-CE2 4.41Å; A60-Y64 WeakPolarHBondContact O-CD2 3.33Å; A60-Y64 PolarHBondContact O-N 2.91Å; A60-T109 HydrophobicContact CB-CG2 3.76Å; A60-W123 HydrophobicContact CB-CH2 4.02Å; A60-W123 HydrophobicContact CB-CZ3 4.4Å
61L88.3Confident85.4Confident63 Ų6369.2 Ų69.233%0.3334%0.341SS..Hα-helixtrans-60.7-45.1173.8-73176.1000112L57 L58 F59 V63 Y64 V65L57-L61 HydrophobicContact CD2-CD1 3.65Å; L57-L61 HydrophobicContact CD2-CG 4.32Å; L57-L61 HydrophobicContact CG-CD1 4.48Å; L57-L61 WeakPolarHBondContact O-CG 3.21Å; L57-L61 PolarHBondContact O-N 2.9Å; L58-L61 PolarHBondContact O-N 3.25Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.09Å; L61-V63 VanDerWaalsContact C-N 3.29Å; L61-V63 PolarHBondContact O-N 2.73Å; L61-Y64 HydrophobicContact CD2-CD2 4.46Å; L61-Y64 PolarHBondContact O-N 3.07Å; L61-V65 WeakPolarHBondContact O-CG2 3.45Å; L61-V65 PolarHBondContact O-N 3.29Å
62A90.4Very high85.6Confident63 Ų6364.5 Ų64.552%0.52133%0.326SS..Hα-helixtrans-60.3-40.9176.200000111.5L58 F59 V65 G66L58-A62 WeakPolarHBondContact O-CB 3.29Å; L58-A62 PolarHBondContact O-N 3.48Å; F59-A62 WeakPolarHBondContact O-CB 3.49Å; F59-A62 PolarHBondContact O-N 2.97Å; A62-V65 PolarHBondContact O-N 3.42Å; A62-G66 PolarHBondContact O-N 3.41Å
63V89.4Confident85.9Confident22 Ų2259.8 Ų59.813%0.13332%0.323CS..Hα-helixtrans-63.6-46.7175.3173.40000111F59 A60 L61 V65 G66 S67 V105 T109 W126F59-V63 HydrophobicContact CD1-CG2 4.46Å; F59-V63 HydrophobicContact CE1-CG2 4.13Å; F59-V63 HydrophobicContact CE2-CG2 4.46Å; F59-V63 HydrophobicContact CZ-CG2 4.14Å; F59-V63 WeakPolarHBondContact O-CG2 3.32Å; F59-V63 PolarHBondContact O-N 3.23Å; A60-V63 PolarHBondContact O-N 3.36Å; L61-V63 VanDerWaalsContact C-N 3.29Å; L61-V63 PolarHBondContact O-N 2.73Å; V63-V65 PolarHBondContact O-N 2.92Å; V63-G66 PolarHBondContact O-N 3.41Å; V63-S67 WeakPolarHBondContact O-CB 3.41Å; V63-S67 PolarHBondContact O-N 2.9Å; V63-S67 PolarHBondContact O-OG 2.9Å; V63-S67 VanDerWaalsContact O-OG 3.1Å; V63-V105 HydrophobicContact CG1-CG1 3.5Å; V63-V105 VanDerWaalsContact CG1-CG1 3.5Å; V63-T109 HydrophobicContact CG1-CG2 4.49Å; V63-W126 HydrophobicContact CG2-CZ2 3.87Å
64Y88.4Confident86Confident6 Ų660.4 Ų60.42%0.02432%0.324CS..Hα-helixtrans-60.1-47.2176.5-66.4-45.3000112.6I30 A60 L61 Y68 I106 T109 A110 Q113I30-Y64 HydrophobicContact CD1-CD1 4.1Å; I30-Y64 HydrophobicContact CD1-CG 4.34Å; I30-Y64 HydrophobicContact CG1-CD1 3.68Å; I30-Y64 HydrophobicContact CG1-CE1 4.08Å; I30-Y64 HydrophobicContact CG1-CG 4.09Å; I30-Y64 HydrophobicContact CG2-CD1 4.19Å; I30-Y64 HydrophobicContact CG2-CD2 3.85Å; I30-Y64 HydrophobicContact CG2-CE2 4.31Å; I30-Y64 HydrophobicContact CG2-CG 3.78Å; A60-Y64 HydrophobicContact CB-CE2 4.41Å; A60-Y64 WeakPolarHBondContact O-CD2 3.33Å; A60-Y64 PolarHBondContact O-N 2.91Å; L61-Y64 HydrophobicContact CD2-CD2 4.46Å; L61-Y64 PolarHBondContact O-N 3.07Å; Y64-Y68 WeakPolarHBondContact O-CB 3.29Å; Y64-Y68 PolarHBondContact O-N 3.18Å; Y64-I106 HydrophobicContact CD1-CG2 4.23Å; Y64-I106 HydrophobicContact CE1-CG2 4.34Å; Y64-T109 HydrophobicContact CD1-CG2 4.32Å; Y64-T109 HydrophobicContact CE1-CG2 3.66Å; Y64-T109 HydrophobicContact CE2-CG2 4.26Å; Y64-T109 VanDerWaalsContact OH-C 3.29Å; Y64-T109 PolarHBondContact OH-O 3.27Å; Y64-A110 WeakPolarHBondContact OH-CA 3.32Å; Y64-A110 PolarHBondContact OH-N 2.68Å; Y64-Q113 VanDerWaalsContact CZ-OE1 3.29Å; Y64-Q113 PolarHBondContact OH-OE1 3.45Å
65V88.1Confident86.1Confident82 Ų8253.8 Ų53.850%0.49730%0.301SS..Hα-helixtrans-63.6-45.5179.7172.40000110L61 A62 V63 R69L61-V65 WeakPolarHBondContact O-CG2 3.45Å; L61-V65 PolarHBondContact O-N 3.29Å; A62-V65 PolarHBondContact O-N 3.42Å; V63-V65 PolarHBondContact O-N 2.92Å; V65-R69 HydrophobicContact CG1-CG 4.3Å; V65-R69 VanDerWaalsContact O-CB 3.25Å; V65-R69 WeakPolarHBondContact O-CB 3.4Å; V65-R69 WeakPolarHBondContact O-CG 3.38Å; V65-R69 PolarHBondContact O-N 3.42Å
66G87.8Confident85.7Confident34 Ų3458 Ų5835%0.35132%0.317SS..Hα-helixtrans-58.5-55.3176.900000111.7A62 V63 Y68 R69 S70A62-G66 PolarHBondContact O-N 3.41Å; V63-G66 PolarHBondContact O-N 3.41Å; G66-Y68 PolarHBondContact O-N 3.25Å; G66-R69 PolarHBondContact O-N 2.96Å; G66-S70 WeakPolarHBondContact O-CB 3.47Å; G66-S70 PolarHBondContact O-N 3.28Å; G66-S70 PolarHBondContact O-OG 2.94Å
67S87.4Confident85.4Confident11 Ų1157.4 Ų57.48%0.07732%0.315CS..Hα-helixtrans-64.6-40.1-177.5-62.20000112.8V63 S70 M71 I106V63-S67 WeakPolarHBondContact O-CB 3.41Å; V63-S67 PolarHBondContact O-N 2.9Å; V63-S67 PolarHBondContact O-OG 2.9Å; V63-S67 VanDerWaalsContact O-OG 3.1Å; S67-S70 PolarHBondContact O-N 2.88Å; S67-M71 PolarHBondContact O-N 3.4Å; S67-I106 VanDerWaalsContact CB-CG1 3.47Å
68Y85.9Confident85.1Confident85 Ų8558.1 Ų58.133%0.33333%0.326SS..Hα-helixtrans-66.2-45176.2-179.8-98.5000111.7L23 T27 Y64 G66 S70 M71 S72L23-Y68 HydrophobicContact CD2-CD2 4.42Å; L23-Y68 HydrophobicContact CD2-CE2 4.09Å; T27-Y68 WeakPolarHBondContact OG1-CE2 3.35Å; Y64-Y68 WeakPolarHBondContact O-CB 3.29Å; Y64-Y68 PolarHBondContact O-N 3.18Å; G66-Y68 PolarHBondContact O-N 3.25Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 3.49Å; Y68-M71 PolarHBondContact O-N 3.41Å; Y68-S72 VanDerWaalsContact O-CB 3.32Å; Y68-S72 WeakPolarHBondContact O-CB 3.18Å; Y68-S72 PolarHBondContact O-N 3.48Å
69R87.8Confident84.6Confident182 Ų18257.9 Ų57.969%0.68732%0.32SS*.Hα-helixtrans-62.1-40.9176.4-74.7-178.181.9175.15.9111.3V65 G66 S72 A73V65-R69 HydrophobicContact CG1-CG 4.3Å; V65-R69 VanDerWaalsContact O-CB 3.25Å; V65-R69 WeakPolarHBondContact O-CB 3.4Å; V65-R69 WeakPolarHBondContact O-CG 3.38Å; V65-R69 PolarHBondContact O-N 3.42Å; G66-R69 PolarHBondContact O-N 2.96Å; R69-S72 PolarHBondContact O-N 3.4Å; R69-A73 VanDerWaalsContact O-CB 3.29Å; R69-A73 WeakPolarHBondContact O-CB 3.25Å; R69-A73 PolarHBondContact O-N 2.86Å
70S83.9Confident84Confident53 Ų5354.6 Ų54.637%0.37131%0.31SS..Hα-helixtrans-62.2-45.3174.6-66.30000112G66 S67 Y68 A73 M74G66-S70 WeakPolarHBondContact O-CB 3.47Å; G66-S70 PolarHBondContact O-N 3.28Å; G66-S70 PolarHBondContact O-OG 2.94Å; S67-S70 PolarHBondContact O-N 2.88Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 3.49Å; S70-A73 PolarHBondContact O-N 3.13Å; S70-M74 VanDerWaalsContact O-CG 3.29Å; S70-M74 WeakPolarHBondContact O-CG 3.33Å; S70-M74 PolarHBondContact O-N 3.1Å
71M84.6Confident83.5Confident1 Ų163 Ų631%0.00536%0.355CS..Hα-helixtrans-66.3-41.3176.3-80.1-164.8-83.400112.9L23 S67 Y68 A73 M74 A75 L92 L102 K103 I106L23-M71 HydrophobicContact CD2-CB 3.85Å; S67-M71 PolarHBondContact O-N 3.4Å; Y68-M71 PolarHBondContact O-N 3.41Å; M71-A73 VanDerWaalsContact C-N 3.32Å; M71-A73 PolarHBondContact O-N 2.9Å; M71-M74 PolarHBondContact O-N 2.83Å; M71-A75 WeakPolarHBondContact O-CB 3.42Å; M71-A75 PolarHBondContact O-N 2.98Å; M71-L92 HydrophobicContact CB-CD1 4.47Å; M71-L92 HydrophobicContact CB-CD2 4.35Å; M71-L92 HydrophobicContact CG-CD2 4.33Å; M71-L102 HydrophobicContact CE-CB 4.21Å; M71-L102 HydrophobicContact CG-CB 3.74Å; M71-L102 HydrophobicContact CG-CD1 3.87Å; M71-L102 HydrophobicContact CG-CG 4.37Å; M71-L102 HydrophobicContact SD-CB 4.09Å; M71-K103 HydrophobicContact SD-CG 3.91Å; M71-I106 HydrophobicContact CE-CD1 3.1Å; M71-I106 HydrophobicContact CE-CG1 4.06Å
72S82.6Confident82.9Confident48 Ų4867.5 Ų67.534%0.33638%0.379SS..Hα-helixtrans-65-36.9177.1176.20000112Y68 R69 A75 K76Y68-S72 VanDerWaalsContact O-CB 3.32Å; Y68-S72 WeakPolarHBondContact O-CB 3.18Å; Y68-S72 PolarHBondContact O-N 3.48Å; R69-S72 PolarHBondContact O-N 3.4Å; S72-A75 PolarHBondContact O-N 2.65Å; S72-K76 PolarHBondContact O-N 3.34Å
73A83.6Confident81.9Confident70 Ų7067.2 Ų67.258%0.57938%0.383SS*.Hα-helixtrans-66.1-39.1173.800000112.1R69 S70 M71 K76R69-A73 VanDerWaalsContact O-CB 3.29Å; R69-A73 WeakPolarHBondContact O-CB 3.25Å; R69-A73 PolarHBondContact O-N 2.86Å; S70-A73 PolarHBondContact O-N 3.13Å; M71-A73 VanDerWaalsContact C-N 3.32Å; M71-A73 PolarHBondContact O-N 2.9Å; A73-K76 WeakPolarHBondContact O-CB 3.13Å; A73-K76 PolarHBondContact O-N 2.96Å
74M79.8Confident81.1Confident51 Ų5169 Ų6925%0.25140%0.397SS..Hα-helixtrans-67.2-37175.7-70174.6-167.800112.3S70 M71 K76 I90 L92 M98 L102S70-M74 VanDerWaalsContact O-CG 3.29Å; S70-M74 WeakPolarHBondContact O-CG 3.33Å; S70-M74 PolarHBondContact O-N 3.1Å; M71-M74 PolarHBondContact O-N 2.83Å; M74-K76 VanDerWaalsContact C-N 3.31Å; M74-K76 PolarHBondContact O-N 2.99Å; M74-I90 HydrophobicContact CB-CB 4.43Å; M74-I90 WeakPolarHBondContact O-CB 3.49Å; M74-I90 PolarHBondContact O-N 3.38Å; M74-L92 HydrophobicContact CB-CD2 3.86Å; M74-M98 HydrophobicContact CE-CB 4.07Å; M74-L102 HydrophobicContact CE-CD1 3.52Å; M74-L102 HydrophobicContact SD-CD1 3.78Å
75A81.2Confident80.5Confident8 Ų870.6 Ų70.67%0.06641%0.405CS..THydrogen-bonded Turntrans-85.15.6179.400000114.4N19 L23 M71 S72 P77 L92N19-A75 HydrophobicContact CB-CB 3.97Å; L23-A75 HydrophobicContact CD1-CB 4.01Å; M71-A75 WeakPolarHBondContact O-CB 3.42Å; M71-A75 PolarHBondContact O-N 2.98Å; S72-A75 PolarHBondContact O-N 2.65Å; A75-P77 WeakPolarHBondContact O-CD 3.39Å; A75-P77 VanDerWaalsContact O-N 3.17Å; A75-L92 HydrophobicContact CB-CD1 3.82Å; A75-L92 HydrophobicContact CB-CD2 4.43Å; A75-L92 HydrophobicContact CB-CG 4.08Å
76K79.6Confident79.7Confident160 Ų16071.1 Ų71.170%0.69641%0.405SS*.  trans-65115.8-175-172.3177.5178.9-178.30110.1S72 A73 M74S72-K76 PolarHBondContact O-N 3.34Å; A73-K76 WeakPolarHBondContact O-CB 3.13Å; A73-K76 PolarHBondContact O-N 2.96Å; M74-K76 VanDerWaalsContact C-N 3.31Å; M74-K76 PolarHBondContact O-N 2.99Å
77P78.1Confident79Confident36 Ų3673.5 Ų73.523%0.23441%0.409CS..  trans-74.8151.6178.133.3-38.8000111.2Y16 A75 F79 L85 D87Y16-P77 HydrophobicContact CD2-CB 3.87Å; Y16-P77 HydrophobicContact CD2-CG 4.16Å; Y16-P77 HydrophobicContact CE2-CB 4.02Å; Y16-P77 HydrophobicContact CE2-CG 3.81Å; A75-P77 WeakPolarHBondContact O-CD 3.39Å; A75-P77 VanDerWaalsContact O-N 3.17Å; P77-F79 HydrophobicContact CB-CD2 4.39Å; P77-F79 HydrophobicContact CB-CE2 3.74Å; P77-F79 HydrophobicContact CB-CZ 3.96Å; P77-F79 HydrophobicContact CG-CD2 4.27Å; P77-F79 HydrophobicContact CG-CE2 3.43Å; P77-F79 VanDerWaalsContact CG-CE2 3.43Å; P77-F79 HydrophobicContact CG-CZ 3.93Å; P77-L85 HydrophobicContact CB-CD1 3.95Å; P77-D87 CarbonylContact C-O 3.48Å; P77-D87 VanDerWaalsContact CA-O 3.31Å; P77-D87 WeakPolarHBondContact CA-O 3.2Å
78A75.5Confident78.1Confident46 Ų4673 Ų7338%0.3841%0.406SS..EExtended strand (participates in β ladder)trans-107.4124167.600000109.1L86 D87A78-L86 WeakPolarHBondContact O-CA 3.31Å; A78-L86 WeakPolarHBondContact O-CB 3.36Å; A78-L86 PolarHBondContact O-N 3.19Å; A78-D87 HydrophobicContact CB-CB 3.94Å; A78-D87 PolarHBondContact N-O 3.43Å; A78-D87 PolarHBondContact O-N 3.44Å
79F77.3Confident77.7Confident109 Ų10969.5 Ų69.548%0.47840%0.396SS..EExtended strand (participates in β ladder)trans-107.8143.1174.4-62.6-80.9000109.2Y16 P77 S84 L85Y16-F79 HydrophobicContact CE2-CZ 4.33Å; P77-F79 HydrophobicContact CB-CD2 4.39Å; P77-F79 HydrophobicContact CB-CE2 3.74Å; P77-F79 HydrophobicContact CB-CZ 3.96Å; P77-F79 HydrophobicContact CG-CD2 4.27Å; P77-F79 HydrophobicContact CG-CE2 3.43Å; P77-F79 VanDerWaalsContact CG-CE2 3.43Å; P77-F79 HydrophobicContact CG-CZ 3.93Å; F79-S84 WeakPolarHBondContact CA-O 3.42Å; F79-L85 HydrophobicContact CD1-CB 4.31Å; F79-L85 HydrophobicContact CD1-CD1 3.91Å; F79-L85 HydrophobicContact CE1-CB 4.18Å; F79-L85 HydrophobicContact CE1-CD1 3.37Å; F79-L85 HydrophobicContact CE1-CG 4.38Å; F79-L85 HydrophobicContact CZ-CD1 3.79Å
80G77.1Confident77.1Confident16 Ų1665.6 Ų65.617%0.16539%0.387CS..  trans-81.8170.4173.900000111.6D82 G83 S84G80-D82 PolarHBondContact O-N 2.92Å; G80-D82 VanDerWaalsContact O-N 3.12Å; G80-G83 PolarHBondContact O-N 3.33Å; G80-S84 PolarHBondContact N-O 3.3Å
81D77.4Confident76.8Confident177 Ų17764.3 Ų64.395%0.94738%0.377SS*.THydrogen-bonded Turntrans-59.8-25.7-178.6-60.3-39.9000112.7G83D81-G83 VanDerWaalsContact C-N 3.27Å; D81-G83 PolarHBondContact O-N 3.32Å
82D74.9Confident76.5Confident157 Ų15764.4 Ų64.484%0.8438%0.377SS*.THydrogen-bonded Turntrans-82.32.8175.8-55.9-37.4000113.9G80 S84G80-D82 PolarHBondContact O-N 2.92Å; G80-D82 VanDerWaalsContact O-N 3.12Å; D82-S84 PolarHBondContact O-N 3.34Å
83G69.6Low76.2Confident58 Ų5866.2 Ų66.260%0.59838%0.383SS*.SBendtrans74.97.4-174.800000114.6G80 D81G80-G83 PolarHBondContact O-N 3.33Å; D81-G83 VanDerWaalsContact C-N 3.27Å; D81-G83 PolarHBondContact O-N 3.32Å
84S72.4Confident75.9Confident60 Ų6067.3 Ų67.342%0.4238%0.377SS..  trans-77140.8175.367.30000111.5F79 G80 D82 L86F79-S84 WeakPolarHBondContact CA-O 3.42Å; G80-S84 PolarHBondContact N-O 3.3Å; D82-S84 PolarHBondContact O-N 3.34Å; S84-L86 PolarHBondContact O-N 3.07Å; S84-L86 VanDerWaalsContact O-N 3.09Å
85L75.1Confident75Confident38 Ų3872.7 Ų72.720%0.19940%0.402CS..EExtended strand (participates in β ladder)trans-71.4101.9177.8-175.674.5000109.8K12 K13 Y16 P77 F79 D87K12-L85 HydrophobicContact CB-CD2 4.32Å; K13-L85 HydrophobicContact CG-CD2 4.08Å; Y16-L85 HydrophobicContact CD2-CD1 4.44Å; Y16-L85 HydrophobicContact CG-CD1 4.45Å; Y16-L85 HydrophobicContact CG-CD2 4.41Å; P77-L85 HydrophobicContact CB-CD1 3.95Å; F79-L85 HydrophobicContact CD1-CB 4.31Å; F79-L85 HydrophobicContact CD1-CD1 3.91Å; F79-L85 HydrophobicContact CE1-CB 4.18Å; F79-L85 HydrophobicContact CE1-CD1 3.37Å; F79-L85 HydrophobicContact CE1-CG 4.38Å; F79-L85 HydrophobicContact CZ-CD1 3.79Å; L85-D87 WeakPolarHBondContact CD1-O 3.43Å
86L71.7Confident74.3Confident93 Ų9379 Ų7949%0.48743%0.43SS..EExtended strand (participates in β ladder)trans-77.4-39.7178.5-66.7177.1000111.4K12 A78 S84K12-L86 WeakPolarHBondContact CD-O 3.17Å; K12-L86 PolarHBondContact NZ-O 3.2Å; A78-L86 WeakPolarHBondContact O-CA 3.31Å; A78-L86 WeakPolarHBondContact O-CB 3.36Å; A78-L86 PolarHBondContact O-N 3.19Å; S84-L86 PolarHBondContact O-N 3.07Å; S84-L86 VanDerWaalsContact O-N 3.09Å
87D74.3Confident74.1Confident84 Ų8471.9 Ų71.945%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-146.2135.3178-164.9-1.4000111.2P77 A78 L85 G89P77-D87 CarbonylContact C-O 3.48Å; P77-D87 VanDerWaalsContact CA-O 3.31Å; P77-D87 WeakPolarHBondContact CA-O 3.2Å; A78-D87 HydrophobicContact CB-CB 3.94Å; A78-D87 PolarHBondContact N-O 3.43Å; A78-D87 PolarHBondContact O-N 3.44Å; L85-D87 WeakPolarHBondContact CD1-O 3.43Å; D87-G89 PolarHBondContact OD1-N 2.88Å
88G66.6Low74Confident0 Ų076.1 Ų76.10%042%0.42CS..  trans-82.5-1.417700000113.7N19N19-G88 PolarHBondContact ND2-O 3.44Å
89G78.3Confident74.4Confident12 Ų1274.2 Ų74.212%0.12440%0.404CS..  trans83.5-177.9-172.300000111.9D87 D91D87-G89 PolarHBondContact OD1-N 2.88Å; G89-D91 PolarHBondContact O-N 3.4Å
90I75.4Confident74.7Confident100 Ų10073 Ų7351%0.51340%0.4SS..SBendtrans-69.4130.2176.9-59174.8000108.3N19 M74 L92N19-I90 PolarHBondContact ND2-O 3.19Å; M74-I90 HydrophobicContact CB-CB 4.43Å; M74-I90 WeakPolarHBondContact O-CB 3.49Å; M74-I90 PolarHBondContact O-N 3.38Å; I90-L92 PolarHBondContact O-N 3.23Å
91D76.8Confident75.1Confident27 Ų2774.9 Ų74.914%0.14440%0.404CS..  trans-62.3109.7174.7-175.5-5.2000109.3K10 I15 G89 N93 M94K10-D91 IonicContact NZ-OD1 2.75Å; K10-D91 IonicContact NZ-OD2 3.67Å; K10-D91 PolarHBondContact NZ-OD2 3.01Å; I15-D91 HydrophobicContact CG1-CB 4.48Å; I15-D91 HydrophobicContact CG2-CB 4.05Å; G89-D91 PolarHBondContact O-N 3.4Å; D91-N93 PolarHBondContact O-N 3.37Å; D91-N93 VanDerWaalsContact OD1-CA 3.31Å; D91-N93 WeakPolarHBondContact OD1-CA 3.49Å; D91-N93 VanDerWaalsContact OD1-CB 3.28Å; D91-N93 WeakPolarHBondContact OD1-CB 3.2Å; D91-N93 PolarHBondContact OD1-N 3.44Å; D91-M94 HydrophobicContact CB-CB 4.33Å; D91-M94 WeakPolarHBondContact O-CB 3.23Å; D91-M94 PolarHBondContact O-N 3.19Å
92L79.2Confident75.5Confident2 Ų267.6 Ų67.61%0.0137%0.365CS..THydrogen-bonded Turntrans-66.3-17.5177.2-66.6-179.3000111.9N19 T22 L23 M71 M74 A75 I90 A99 K103N19-L92 HydrophobicContact CB-CD1 4.43Å; N19-L92 WeakPolarHBondContact OD1-CB 3.31Å; N19-L92 WeakPolarHBondContact OD1-CG 3.42Å; N19-L92 PolarHBondContact OD1-N 3.46Å; T22-L92 HydrophobicContact CG2-CB 4.45Å; T22-L92 HydrophobicContact CG2-CD1 4.29Å; L23-L92 HydrophobicContact CD2-CD1 4.12Å; L23-L92 HydrophobicContact CG-CD1 4.09Å; M71-L92 HydrophobicContact CB-CD1 4.47Å; M71-L92 HydrophobicContact CB-CD2 4.35Å; M71-L92 HydrophobicContact CG-CD2 4.33Å; M74-L92 HydrophobicContact CB-CD2 3.86Å; A75-L92 HydrophobicContact CB-CD1 3.82Å; A75-L92 HydrophobicContact CB-CD2 4.43Å; A75-L92 HydrophobicContact CB-CG 4.08Å; I90-L92 PolarHBondContact O-N 3.23Å; L92-A99 HydrophobicContact CB-CB 4.09Å; L92-A99 HydrophobicContact CD2-CB 3.66Å; L92-A99 VanDerWaalsContact O-CB 3.32Å; L92-A99 WeakPolarHBondContact O-CB 3.38Å; L92-K103 WeakPolarHBondContact O-CE 3.39Å; L92-K103 PolarHBondContact O-NZ 3.5Å
93N77.1Confident76.2Confident87 Ų8761.1 Ų61.147%0.46533%0.33SS..THydrogen-bonded Turntrans-100.214.1-179.5-155.230.3000113.2D91 E95D91-N93 PolarHBondContact O-N 3.37Å; D91-N93 VanDerWaalsContact OD1-CA 3.31Å; D91-N93 WeakPolarHBondContact OD1-CA 3.49Å; D91-N93 VanDerWaalsContact OD1-CB 3.28Å; D91-N93 WeakPolarHBondContact OD1-CB 3.2Å; D91-N93 PolarHBondContact OD1-N 3.44Å; N93-E95 PolarHBondContact O-N 2.95Å
94M75.6Confident77.1Confident93 Ų9362.1 Ų62.146%0.45832%0.321SS..  trans-68.9127.6174.6-167.3165.972.800111.3D91 Q96 G97D91-M94 HydrophobicContact CB-CB 4.33Å; D91-M94 WeakPolarHBondContact O-CB 3.23Å; D91-M94 PolarHBondContact O-N 3.19Å; M94-Q96 PolarHBondContact O-N 2.94Å; M94-G97 PolarHBondContact O-N 3.4Å; M94-G97 VanDerWaalsContact O-N 3.07Å
95E62.7Low77.9Confident164 Ų16461.3 Ų61.377%0.76631%0.314SS*.THydrogen-bonded Turntrans-59.1123.6176.6-68.4-178169.300110.5N93N93-E95 PolarHBondContact O-N 2.95Å
96Q66.1Low78.6Confident140 Ų14059.5 Ų59.565%0.65430%0.304SS*.THydrogen-bonded Turntrans68.127.7-173.9-54.3-174.5-46.100116K4 M94 E100K4-Q96 VanDerWaalsContact CE-OE1 3.29Å; M94-Q96 PolarHBondContact O-N 2.94Å; Q96-E100 PolarHBondContact N-OE2 3.17Å
97G74.9Confident79.5Confident11 Ų1158.6 Ų58.611%0.11330%0.3CS..  trans-82.1156.1169.500000113.5M94 A99 E100M94-G97 PolarHBondContact O-N 3.4Å; M94-G97 VanDerWaalsContact O-N 3.07Å; G97-A99 PolarHBondContact O-N 2.98Å; G97-A99 VanDerWaalsContact O-N 3.09Å; G97-E100 WeakPolarHBondContact O-CB 3.48Å; G97-E100 PolarHBondContact O-N 3.09Å
98M76.9Confident80.3Confident125 Ų12556.5 Ų56.562%0.61629%0.288SS*.Hα-helixtrans-56.6-24.8171.5-72.3-59.9-60.900113.2M74 E100 H101 L102M74-M98 HydrophobicContact CE-CB 4.07Å; M98-E100 VanDerWaalsContact C-N 3.29Å; M98-E100 PolarHBondContact O-N 2.91Å; M98-H101 PolarHBondContact O-N 3.25Å; M98-L102 PolarHBondContact O-N 2.93Å
99A82.1Confident81.5Confident5 Ų556.5 Ų56.54%0.04129%0.288CS..Hα-helixtrans-61.9-33.8174.400000112.8L92 G97 L102 K103L92-A99 HydrophobicContact CB-CB 4.09Å; L92-A99 HydrophobicContact CD2-CB 3.66Å; L92-A99 VanDerWaalsContact O-CB 3.32Å; L92-A99 WeakPolarHBondContact O-CB 3.38Å; G97-A99 PolarHBondContact O-N 2.98Å; G97-A99 VanDerWaalsContact O-N 3.09Å; A99-L102 WeakPolarHBondContact O-CB 3.36Å; A99-L102 PolarHBondContact O-N 2.94Å; A99-K103 WeakPolarHBondContact O-CB 3.35Å; A99-K103 WeakPolarHBondContact O-CG 3.49Å; A99-K103 PolarHBondContact O-N 3.37Å
100E85.1Confident82.1Confident85 Ų8556.3 Ų56.340%0.39729%0.285SS..Hα-helixtrans-62.3-45.5177.1-168179.8160.900110.9Q96 G97 M98 L102 K103 D104Q96-E100 PolarHBondContact N-OE2 3.17Å; G97-E100 WeakPolarHBondContact O-CB 3.48Å; G97-E100 PolarHBondContact O-N 3.09Å; M98-E100 VanDerWaalsContact C-N 3.29Å; M98-E100 PolarHBondContact O-N 2.91Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.35Å; E100-K103 WeakPolarHBondContact O-CB 3.49Å; E100-K103 PolarHBondContact O-N 2.88Å; E100-D104 PolarHBondContact O-N 3.36Å
101H85.4Confident82.8Confident54 Ų5455.4 Ų55.425%0.2528%0.281CS..Hα-helixtrans-63.5-37.1175.4-60.5-38.5000112.5M98 D104 V105 L136M98-H101 PolarHBondContact O-N 3.25Å; H101-D104 PolarHBondContact O-N 3.2Å; H101-V105 VanDerWaalsContact O-CG2 3.23Å; H101-V105 WeakPolarHBondContact O-CG2 3.32Å; H101-V105 PolarHBondContact O-N 3.31Å; H101-L136 WeakPolarHBondContact NE2-CD2 3.36Å
102L86.1Confident83.4Confident24 Ų2454.2 Ų54.213%0.12627%0.274CS..Hα-helixtrans-65.7-41.4175.1-74.2161.3000111.8M71 M74 M98 A99 E100 V105 I106M71-L102 HydrophobicContact CE-CB 4.21Å; M71-L102 HydrophobicContact CG-CB 3.74Å; M71-L102 HydrophobicContact CG-CD1 3.87Å; M71-L102 HydrophobicContact CG-CG 4.37Å; M71-L102 HydrophobicContact SD-CB 4.09Å; M74-L102 HydrophobicContact CE-CD1 3.52Å; M74-L102 HydrophobicContact SD-CD1 3.78Å; M98-L102 PolarHBondContact O-N 2.93Å; A99-L102 WeakPolarHBondContact O-CB 3.36Å; A99-L102 PolarHBondContact O-N 2.94Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.35Å; L102-V105 PolarHBondContact O-N 2.97Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 2.93Å; L102-I106 VanDerWaalsContact O-N 3.07Å
103K88.4Confident83.9Confident21 Ų2154.2 Ų54.29%0.09127%0.274CS..Hα-helixtrans-60.5-47174.3-72173.7-176.3178.50111.4Y26 M71 L92 A99 E100 V105 I106 L107Y26-K103 HydrophobicContact CD2-CG 4.35Å; Y26-K103 HydrophobicContact CE1-CB 4.01Å; Y26-K103 HydrophobicContact CE1-CG 4.19Å; Y26-K103 HydrophobicContact CE2-CB 4.25Å; Y26-K103 HydrophobicContact CE2-CD 3.92Å; Y26-K103 HydrophobicContact CE2-CG 3.56Å; Y26-K103 VanDerWaalsContact CZ-CG 3.46Å; Y26-K103 WeakPolarHBondContact OH-CB 3.33Å; Y26-K103 WeakPolarHBondContact OH-CD 3.31Å; Y26-K103 WeakPolarHBondContact OH-CG 3.49Å; M71-K103 HydrophobicContact SD-CG 3.91Å; L92-K103 WeakPolarHBondContact O-CE 3.39Å; L92-K103 PolarHBondContact O-NZ 3.5Å; A99-K103 WeakPolarHBondContact O-CB 3.35Å; A99-K103 WeakPolarHBondContact O-CG 3.49Å; A99-K103 PolarHBondContact O-N 3.37Å; E100-K103 WeakPolarHBondContact O-CB 3.49Å; E100-K103 PolarHBondContact O-N 2.88Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-V105 PolarHBondContact O-N 2.95Å; K103-I106 PolarHBondContact O-N 3.43Å; K103-L107 WeakPolarHBondContact O-CB 3.43Å; K103-L107 PolarHBondContact O-N 3.42Å
104D89.3Confident84.4Confident79 Ų7952.3 Ų52.342%0.42227%0.266SS..Hα-helixtrans-60.3-42.7177.8-72.3-16.8000111.5E100 H101 L107 L108E100-D104 PolarHBondContact O-N 3.36Å; H101-D104 PolarHBondContact O-N 3.2Å; D104-L107 PolarHBondContact O-N 3.35Å; D104-L108 WeakPolarHBondContact O-CB 3.23Å; D104-L108 PolarHBondContact O-N 3.32Å
105V89.1Confident85Confident43 Ų4350.3 Ų50.326%0.26126%0.257SS..Hα-helixtrans-64.6-42.7178.5169.50000111.7V63 H101 L102 K103 T109V63-V105 HydrophobicContact CG1-CG1 3.5Å; V63-V105 VanDerWaalsContact CG1-CG1 3.5Å; H101-V105 VanDerWaalsContact O-CG2 3.23Å; H101-V105 WeakPolarHBondContact O-CG2 3.32Å; H101-V105 PolarHBondContact O-N 3.31Å; L102-V105 PolarHBondContact O-N 2.97Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-V105 PolarHBondContact O-N 2.95Å; V105-T109 WeakPolarHBondContact O-CB 3.4Å; V105-T109 PolarHBondContact O-N 2.81Å; V105-T109 PolarHBondContact O-OG1 3.27Å
106I90.1Very high86Confident0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-64.2-47.2176.1-67.1-171.9000110.6Y26 I30 Y64 S67 M71 L102 K103 T109 A110Y26-I106 HydrophobicContact CD1-CB 4.24Å; Y26-I106 HydrophobicContact CD1-CG2 3.91Å; I30-I106 HydrophobicContact CD1-CD1 3.95Å; I30-I106 HydrophobicContact CD1-CG2 3.9Å; I30-I106 HydrophobicContact CG1-CG2 3.64Å; Y64-I106 HydrophobicContact CD1-CG2 4.23Å; Y64-I106 HydrophobicContact CE1-CG2 4.34Å; S67-I106 VanDerWaalsContact CB-CG1 3.47Å; M71-I106 HydrophobicContact CE-CD1 3.1Å; M71-I106 HydrophobicContact CE-CG1 4.06Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 2.93Å; L102-I106 VanDerWaalsContact O-N 3.07Å; K103-I106 PolarHBondContact O-N 3.43Å; I106-T109 PolarHBondContact O-N 2.9Å; I106-A110 WeakPolarHBondContact O-CB 3.23Å; I106-A110 PolarHBondContact O-N 3.4Å
107L90.8Very high86.8Confident74 Ų7437.6 Ų37.639%0.38720%0.2SC..Hα-helixtrans-65.5-43.7-177.8-172.965.1000111.6K103 D104 T109 A110 I111K103-L107 WeakPolarHBondContact O-CB 3.43Å; K103-L107 PolarHBondContact O-N 3.42Å; D104-L107 PolarHBondContact O-N 3.35Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 3.15Å; L107-A110 PolarHBondContact O-N 3.37Å; L107-I111 HydrophobicContact CD1-CD1 4.43Å; L107-I111 HydrophobicContact CG-CD1 4.03Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.36Å; L107-I111 PolarHBondContact O-N 3.16Å
108L91Very high87.2Confident40 Ų4043.7 Ų43.721%0.20923%0.229CC..Hα-helixtrans-59.9-46.2175179.166.4000110.8D104 A110 I111 V112 L128 A129D104-L108 WeakPolarHBondContact O-CB 3.23Å; D104-L108 PolarHBondContact O-N 3.32Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 3.33Å; L108-I111 PolarHBondContact O-N 2.91Å; L108-V112 HydrophobicContact CD1-CG2 4.18Å; L108-V112 HydrophobicContact CG-CG2 4.36Å; L108-V112 WeakPolarHBondContact O-CB 3.35Å; L108-V112 VanDerWaalsContact O-CG2 3.23Å; L108-V112 WeakPolarHBondContact O-CG2 3.16Å; L108-V112 PolarHBondContact O-N 2.81Å; L108-L128 HydrophobicContact CD2-CB 4.43Å; L108-A129 HydrophobicContact CD2-CB 3.82Å
109T90.4Very high87.4Confident1 Ų139.7 Ų39.71%0.00621%0.214CC..Hα-helixtrans-63.4-40.2179.1-54.10000111.1A60 V63 Y64 V105 I106 L107 V112 Q113 W126A60-T109 HydrophobicContact CB-CG2 3.76Å; V63-T109 HydrophobicContact CG1-CG2 4.49Å; Y64-T109 HydrophobicContact CD1-CG2 4.32Å; Y64-T109 HydrophobicContact CE1-CG2 3.66Å; Y64-T109 HydrophobicContact CE2-CG2 4.26Å; Y64-T109 VanDerWaalsContact OH-C 3.29Å; Y64-T109 PolarHBondContact OH-O 3.27Å; V105-T109 WeakPolarHBondContact O-CB 3.4Å; V105-T109 PolarHBondContact O-N 2.81Å; V105-T109 PolarHBondContact O-OG1 3.27Å; I106-T109 PolarHBondContact O-N 2.9Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 3.15Å; T109-V112 PolarHBondContact O-N 3.48Å; T109-Q113 VanDerWaalsContact O-CB 3.23Å; T109-Q113 WeakPolarHBondContact O-CB 3.46Å; T109-Q113 PolarHBondContact O-N 3.31Å; T109-W126 PolarHBondContact OG1-NE1 3.37Å
110A91.1Very high87.3Confident7 Ų742.7 Ų42.76%0.05824%0.239CC..Hα-helixtrans-62.1-45.7175.300000112.5V29 A33 Y64 I106 L107 L108 Q113 V114V29-A110 HydrophobicContact CG1-CB 3.86Å; A33-A110 HydrophobicContact CB-CB 3.87Å; Y64-A110 WeakPolarHBondContact OH-CA 3.32Å; Y64-A110 PolarHBondContact OH-N 2.68Å; I106-A110 WeakPolarHBondContact O-CB 3.23Å; I106-A110 PolarHBondContact O-N 3.4Å; L107-A110 PolarHBondContact O-N 3.37Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 3.33Å; A110-Q113 PolarHBondContact O-N 3.43Å; A110-V114 WeakPolarHBondContact O-CG2 3.15Å; A110-V114 PolarHBondContact O-N 2.86Å
111I90.3Very high87.2Confident82 Ų8247.1 Ų47.142%0.42125%0.253SS..Hα-helixtrans-64.4-47.6177.6-68.4165.9000110.7L107 L108 Q113 V114 L115L107-I111 HydrophobicContact CD1-CD1 4.43Å; L107-I111 HydrophobicContact CG-CD1 4.03Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.36Å; L107-I111 PolarHBondContact O-N 3.16Å; L108-I111 PolarHBondContact O-N 2.91Å; I111-Q113 VanDerWaalsContact C-N 3.31Å; I111-Q113 PolarHBondContact O-N 2.72Å; I111-V114 PolarHBondContact O-N 2.86Å; I111-L115 HydrophobicContact CG2-CD1 3.63Å; I111-L115 HydrophobicContact CG2-CG 4.26Å; I111-L115 WeakPolarHBondContact O-CB 3.48Å; I111-L115 WeakPolarHBondContact O-CG 3.36Å; I111-L115 PolarHBondContact O-N 2.81Å
112V90.3Very high87.3Confident1 Ų148 Ų481%0.00626%0.256CS..Hα-helixtrans-58.8-45.3177.6169.70000110.5L108 T109 L115 S116 W123 L125 W126L108-V112 HydrophobicContact CD1-CG2 4.18Å; L108-V112 HydrophobicContact CG-CG2 4.36Å; L108-V112 WeakPolarHBondContact O-CB 3.35Å; L108-V112 VanDerWaalsContact O-CG2 3.23Å; L108-V112 WeakPolarHBondContact O-CG2 3.16Å; L108-V112 PolarHBondContact O-N 2.81Å; T109-V112 PolarHBondContact O-N 3.48Å; V112-L115 PolarHBondContact O-N 3.45Å; V112-S116 WeakPolarHBondContact O-CB 3.42Å; V112-S116 PolarHBondContact O-N 2.87Å; V112-S116 PolarHBondContact O-OG 3.16Å; V112-W123 HydrophobicContact CG1-CD2 4.13Å; V112-W123 HydrophobicContact CG1-CE3 3.76Å; V112-W123 HydrophobicContact CG1-CZ3 4.19Å; V112-L125 HydrophobicContact CG2-CB 3.94Å; V112-W126 HydrophobicContact CG1-CB 4.31Å; V112-W126 HydrophobicContact CG2-CB 4.42Å
113Q88.7Confident87.2Confident2 Ų248.2 Ų48.21%0.00926%0.256CS..Hα-helixtrans-62.8-47.8179.9-175.7175.3-10.400111.4N34 Y37 Y64 T109 A110 I111 S116N34-Q113 PolarHBondContact OD1-NE2 3.49Å; N34-Q113 VanDerWaalsContact OD1-NE2 3.13Å; Y37-Q113 VanDerWaalsContact CB-NE2 3.35Å; Y37-Q113 HydrophobicContact CD2-CG 3.45Å; Y37-Q113 VanDerWaalsContact CD2-CG 3.45Å; Y37-Q113 WeakPolarHBondContact CD2-O 3.36Å; Y37-Q113 HydrophobicContact CE2-CG 4.18Å; Y37-Q113 HydrophobicContact CG-CG 3.81Å; Y64-Q113 VanDerWaalsContact CZ-OE1 3.29Å; Y64-Q113 PolarHBondContact OH-OE1 3.45Å; T109-Q113 VanDerWaalsContact O-CB 3.23Å; T109-Q113 WeakPolarHBondContact O-CB 3.46Å; T109-Q113 PolarHBondContact O-N 3.31Å; A110-Q113 PolarHBondContact O-N 3.43Å; I111-Q113 VanDerWaalsContact C-N 3.31Å; I111-Q113 PolarHBondContact O-N 2.72Å; Q113-S116 PolarHBondContact O-N 2.97Å; Q113-S116 PolarHBondContact O-OG 3.18Å
114V88.2Confident87Confident48 Ų4854.9 Ų54.929%0.29128%0.281SS..Hα-helixtrans-65.2-45178.1173.30000111.5A33 I36 A110 I111 S116 T117A33-V114 HydrophobicContact CB-CG2 4.12Å; I36-V114 HydrophobicContact CB-CG2 4.5Å; I36-V114 HydrophobicContact CD1-CG2 4.3Å; I36-V114 HydrophobicContact CG2-CG1 4.29Å; I36-V114 HydrophobicContact CG2-CG2 4.38Å; A110-V114 WeakPolarHBondContact O-CG2 3.15Å; A110-V114 PolarHBondContact O-N 2.86Å; I111-V114 PolarHBondContact O-N 2.86Å; V114-S116 VanDerWaalsContact C-N 3.27Å; V114-S116 PolarHBondContact O-N 2.88Å; V114-T117 PolarHBondContact O-N 2.97Å; V114-T117 PolarHBondContact O-OG1 3.11Å
115L87.1Confident87Confident51 Ų5154.3 Ų54.327%0.26728%0.278SS..Hα-helixtrans-65.8-32.5177.5-72.6173.7000112.2I111 V112 T117 L118 S119 F122 L125I111-L115 HydrophobicContact CG2-CD1 3.63Å; I111-L115 HydrophobicContact CG2-CG 4.26Å; I111-L115 WeakPolarHBondContact O-CB 3.48Å; I111-L115 WeakPolarHBondContact O-CG 3.36Å; I111-L115 PolarHBondContact O-N 2.81Å; V112-L115 PolarHBondContact O-N 3.45Å; L115-T117 PolarHBondContact O-N 3.01Å; L115-T117 VanDerWaalsContact O-N 3.15Å; L115-L118 HydrophobicContact CD2-CD1 4.37Å; L115-L118 WeakPolarHBondContact O-CB 3.36Å; L115-L118 PolarHBondContact O-N 3.05Å; L115-S119 PolarHBondContact O-N 3.47Å; L115-F122 HydrophobicContact CB-CB 3.77Å; L115-F122 HydrophobicContact CB-CD1 4.03Å; L115-F122 HydrophobicContact CB-CD2 3.89Å; L115-F122 HydrophobicContact CB-CE2 4.49Å; L115-F122 HydrophobicContact CB-CG 3.64Å; L115-F122 HydrophobicContact CD1-CD1 4.05Å; L115-F122 HydrophobicContact CD1-CE1 4.34Å; L115-F122 HydrophobicContact CD1-CG 4.49Å; L115-F122 VanDerWaalsContact O-CD2 3.22Å; L115-F122 WeakPolarHBondContact O-CD2 3.45Å; L115-L125 HydrophobicContact CD1-CD1 4.21Å
116S85.4Confident86.8Confident13 Ų1354.8 Ų54.89%0.09128%0.275CS..Hα-helixtrans-63.8-19.9179.476.10000113.5Y37 V112 Q113 V114 L118 S119 W123Y37-S116 WeakPolarHBondContact CE2-OG 3.48Å; V112-S116 WeakPolarHBondContact O-CB 3.42Å; V112-S116 PolarHBondContact O-N 2.87Å; V112-S116 PolarHBondContact O-OG 3.16Å; Q113-S116 PolarHBondContact O-N 2.97Å; Q113-S116 PolarHBondContact O-OG 3.18Å; V114-S116 VanDerWaalsContact C-N 3.27Å; V114-S116 PolarHBondContact O-N 2.88Å; S116-L118 PolarHBondContact O-N 3.1Å; S116-S119 WeakPolarHBondContact CA-O 3.48Å; S116-S119 CarbonylContact O-C 3.6Å; S116-S119 PolarHBondContact O-N 3.34Å; S116-W123 PolarHBondContact OG-NE1 3.09Å
117T82.3Confident86.6Confident23 Ų2359.9 Ų59.914%0.14130%0.302CS..THydrogen-bonded Turntrans-69.7-23.3172.972.70000112.4Y37 V40 V114 L115Y37-T117 HydrophobicContact CD2-CG2 3.49Å; Y37-T117 VanDerWaalsContact CD2-CG2 3.49Å; Y37-T117 HydrophobicContact CE2-CG2 4.07Å; Y37-T117 HydrophobicContact CG-CG2 4.21Å; V40-T117 HydrophobicContact CB-CG2 4.15Å; V40-T117 HydrophobicContact CG1-CG2 4.4Å; V40-T117 HydrophobicContact CG2-CG2 4.45Å; V114-T117 PolarHBondContact O-N 2.97Å; V114-T117 PolarHBondContact O-OG1 3.11Å; L115-T117 PolarHBondContact O-N 3.01Å; L115-T117 VanDerWaalsContact O-N 3.15Å
118L82.9Confident86.4Confident139 Ų13961.1 Ų61.173%0.72831%0.308SS*.THydrogen-bonded Turntrans-84.3-40.5173.7-57.8176000111L115 S116L115-L118 HydrophobicContact CD2-CD1 4.37Å; L115-L118 WeakPolarHBondContact O-CB 3.36Å; L115-L118 PolarHBondContact O-N 3.05Å; S116-L118 PolarHBondContact O-N 3.1Å
119S82.3Confident86.1Confident41 Ų4160 Ų6029%0.28731%0.305SS..  trans-158.6130-177.4177.10000112.2L115 S116 Y121 F122L115-S119 PolarHBondContact O-N 3.47Å; S116-S119 WeakPolarHBondContact CA-O 3.48Å; S116-S119 CarbonylContact O-C 3.6Å; S116-S119 PolarHBondContact O-N 3.34Å; S119-Y121 PolarHBondContact O-N 3.25Å; S119-Y121 VanDerWaalsContact O-N 3.09Å; S119-Y121 WeakPolarHBondContact OG-CD2 3.45Å; S119-F122 VanDerWaalsContact O-CD2 3.32Å; S119-F122 WeakPolarHBondContact O-CD2 3.27Å; S119-F122 PolarHBondContact O-N 3Å; S119-F122 VanDerWaalsContact O-N 3.11Å
120A79.3Confident85.7Confident69 Ų6962.3 Ų62.357%0.5732%0.32SS*.G310 helixtrans-61.9-20.618000000113.5F122 W123A120-F122 PolarHBondContact O-N 2.62Å; A120-W123 WeakPolarHBondContact O-CB 3.18Å; A120-W123 PolarHBondContact O-N 2.96Å
121Y83.4Confident85.5Confident177 Ų17764.6 Ų64.669%0.69434%0.339SS*.G310 helixtrans-63-23176.2-66.8-79.1000113S119 W123 Y124S119-Y121 PolarHBondContact O-N 3.25Å; S119-Y121 VanDerWaalsContact O-N 3.09Å; S119-Y121 WeakPolarHBondContact OG-CD2 3.45Å; Y121-W123 PolarHBondContact O-N 3.46Å; Y121-Y124 HydrophobicContact CD1-CD2 4.29Å; Y121-Y124 AromaticContact CD1-CE2 3.95Å; Y121-Y124 HydrophobicContact CD1-CE2 3.95Å; Y121-Y124 WeakPolarHBondContact O-CB 3.41Å; Y121-Y124 WeakPolarHBondContact O-CD2 3.48Å; Y121-Y124 PolarHBondContact O-N 3.08Å
122F86.4Confident85.1Confident73 Ų7367.5 Ų67.532%0.3234%0.344SS..G310 helixtrans-66.7-16.7178.2-71.7-69.2000113.4L115 S119 A120 Y124 L125L115-F122 HydrophobicContact CB-CB 3.77Å; L115-F122 HydrophobicContact CB-CD1 4.03Å; L115-F122 HydrophobicContact CB-CD2 3.89Å; L115-F122 HydrophobicContact CB-CE2 4.49Å; L115-F122 HydrophobicContact CB-CG 3.64Å; L115-F122 HydrophobicContact CD1-CD1 4.05Å; L115-F122 HydrophobicContact CD1-CE1 4.34Å; L115-F122 HydrophobicContact CD1-CG 4.49Å; L115-F122 VanDerWaalsContact O-CD2 3.22Å; L115-F122 WeakPolarHBondContact O-CD2 3.45Å; S119-F122 VanDerWaalsContact O-CD2 3.32Å; S119-F122 WeakPolarHBondContact O-CD2 3.27Å; S119-F122 PolarHBondContact O-N 3Å; S119-F122 VanDerWaalsContact O-N 3.11Å; A120-F122 PolarHBondContact O-N 2.62Å; F122-Y124 PolarHBondContact O-N 2.88Å; F122-L125 HydrophobicContact CD1-CD1 3.76Å; F122-L125 HydrophobicContact CD1-CG 4.43Å; F122-L125 VanDerWaalsContact O-CB 3.3Å; F122-L125 WeakPolarHBondContact O-CB 3.25Å; F122-L125 PolarHBondContact O-N 3.02Å
123W84.3Confident84.8Confident29 Ų2969.9 Ų69.911%0.1136%0.364CS..G310 helixtrans-59.7-26.1169.7-77.1105.5000113.1L56 A60 V112 S116 A120 Y121 L125 W126L56-W123 HydrophobicContact CB-CD2 4.04Å; L56-W123 HydrophobicContact CB-CE3 4.12Å; L56-W123 HydrophobicContact CB-CH2 3.73Å; L56-W123 HydrophobicContact CB-CZ2 3.64Å; L56-W123 HydrophobicContact CB-CZ3 3.97Å; L56-W123 HydrophobicContact CD1-CB 4.39Å; L56-W123 HydrophobicContact CD1-CD2 3.82Å; L56-W123 HydrophobicContact CD1-CE3 4.42Å; L56-W123 HydrophobicContact CD1-CG 3.78Å; L56-W123 HydrophobicContact CD2-CD2 4.2Å; L56-W123 HydrophobicContact CD2-CE3 3.95Å; L56-W123 HydrophobicContact CD2-CZ3 4.33Å; L56-W123 HydrophobicContact CG-CD2 4.25Å; L56-W123 HydrophobicContact CG-CE3 4.39Å; L56-W123 VanDerWaalsContact O-CH2 3.31Å; L56-W123 WeakPolarHBondContact O-CH2 3.48Å; A60-W123 HydrophobicContact CB-CH2 4.02Å; A60-W123 HydrophobicContact CB-CZ3 4.4Å; V112-W123 HydrophobicContact CG1-CD2 4.13Å; V112-W123 HydrophobicContact CG1-CE3 3.76Å; V112-W123 HydrophobicContact CG1-CZ3 4.19Å; S116-W123 PolarHBondContact OG-NE1 3.09Å; A120-W123 WeakPolarHBondContact O-CB 3.18Å; A120-W123 PolarHBondContact O-N 2.96Å; Y121-W123 PolarHBondContact O-N 3.46Å; W123-L125 PolarHBondContact O-N 3.11Å; W123-W126 WeakPolarHBondContact O-CB 3.39Å; W123-W126 PolarHBondContact O-N 2.94Å
124Y85.5Confident84.6Confident161 Ų16175.1 Ų75.163%0.63139%0.392SS*.G310 helixtrans-65.6-24.8174.3-69.3-68.8000113.1Y121 F122 W126 L127Y121-Y124 HydrophobicContact CD1-CD2 4.29Å; Y121-Y124 AromaticContact CD1-CE2 3.95Å; Y121-Y124 HydrophobicContact CD1-CE2 3.95Å; Y121-Y124 WeakPolarHBondContact O-CB 3.41Å; Y121-Y124 WeakPolarHBondContact O-CD2 3.48Å; Y121-Y124 PolarHBondContact O-N 3.08Å; F122-Y124 PolarHBondContact O-N 2.88Å; Y124-W126 PolarHBondContact O-N 3.17Å; Y124-W126 VanDerWaalsContact O-N 3.17Å; Y124-L127 HydrophobicContact CD1-CD1 4.11Å; Y124-L127 VanDerWaalsContact O-CB 3.26Å; Y124-L127 WeakPolarHBondContact O-CB 3.36Å; Y124-L127 PolarHBondContact O-N 3.44Å
125L88.1Confident84.3Confident67 Ų6777.7 Ų77.735%0.35140%0.4SS..G310 helixtrans-62.7-21.2172.9-66.1-179.7000112V112 L115 F122 W123 L127 L128V112-L125 HydrophobicContact CG2-CB 3.94Å; L115-L125 HydrophobicContact CD1-CD1 4.21Å; F122-L125 HydrophobicContact CD1-CD1 3.76Å; F122-L125 HydrophobicContact CD1-CG 4.43Å; F122-L125 VanDerWaalsContact O-CB 3.3Å; F122-L125 WeakPolarHBondContact O-CB 3.25Å; F122-L125 PolarHBondContact O-N 3.02Å; W123-L125 PolarHBondContact O-N 3.11Å; L125-L127 PolarHBondContact O-N 3.27Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 VanDerWaalsContact O-CB 3.25Å; L125-L128 WeakPolarHBondContact O-CB 3.42Å; L125-L128 VanDerWaalsContact O-CG 3.22Å; L125-L128 WeakPolarHBondContact O-CG 3.32Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-L128 VanDerWaalsContact O-N 3.08Å
126W86.1Confident84Confident52 Ų5277.7 Ų77.720%0.19740%0.4CS..G310 helixtrans-64.3-23174.4-154.184.4000112.3F59 V63 T109 V112 W123 Y124 L128 A129 P130F59-W126 HydrophobicContact CD1-CZ2 4.49Å; F59-W126 AromaticContact CE1-CD2 3.88Å; F59-W126 HydrophobicContact CE1-CD2 3.88Å; F59-W126 AromaticContact CE1-CE2 3.62Å; F59-W126 AromaticContact CE1-CE3 3.79Å; F59-W126 HydrophobicContact CE1-CE3 3.79Å; F59-W126 AromaticContact CE1-CH2 3.31Å; F59-W126 HydrophobicContact CE1-CH2 3.31Å; F59-W126 AromaticContact CE1-CZ2 3.35Å; F59-W126 HydrophobicContact CE1-CZ2 3.35Å; F59-W126 AromaticContact CE1-CZ3 3.51Å; F59-W126 HydrophobicContact CE1-CZ3 3.51Å; F59-W126 HydrophobicContact CE2-CH2 4.47Å; F59-W126 HydrophobicContact CZ-CE3 4.26Å; F59-W126 AromaticContact CZ-CH2 3.18Å; F59-W126 HydrophobicContact CZ-CH2 3.18Å; F59-W126 AromaticContact CZ-CZ2 3.63Å; F59-W126 HydrophobicContact CZ-CZ2 3.63Å; F59-W126 AromaticContact CZ-CZ3 3.51Å; F59-W126 HydrophobicContact CZ-CZ3 3.51Å; V63-W126 HydrophobicContact CG2-CZ2 3.87Å; T109-W126 PolarHBondContact OG1-NE1 3.37Å; V112-W126 HydrophobicContact CG1-CB 4.31Å; V112-W126 HydrophobicContact CG2-CB 4.42Å; W123-W126 WeakPolarHBondContact O-CB 3.39Å; W123-W126 PolarHBondContact O-N 2.94Å; Y124-W126 PolarHBondContact O-N 3.17Å; Y124-W126 VanDerWaalsContact O-N 3.17Å; W126-L128 PolarHBondContact O-N 3.21Å; W126-L128 VanDerWaalsContact O-N 3.11Å; W126-A129 WeakPolarHBondContact O-CB 3.12Å; W126-A129 PolarHBondContact O-N 3.17Å; W126-P130 WeakPolarHBondContact O-CD 3.3Å
127L85.9Confident83.8Confident107 Ų10781 Ų8156%0.5642%0.417SS*.G310 helixtrans-62.2-15.7172.8-68.1171.6000113.4Y124 L125 A129 P130 A131Y124-L127 HydrophobicContact CD1-CD1 4.11Å; Y124-L127 VanDerWaalsContact O-CB 3.26Å; Y124-L127 WeakPolarHBondContact O-CB 3.36Å; Y124-L127 PolarHBondContact O-N 3.44Å; L125-L127 PolarHBondContact O-N 3.27Å; L127-A129 PolarHBondContact O-N 3.32Å; L127-P130 HydrophobicContact CD2-CG 4.42Å; L127-P130 VanDerWaalsContact O-CD 3.25Å; L127-P130 WeakPolarHBondContact O-CD 3.5Å; L127-P130 VanDerWaalsContact O-CG 3.31Å; L127-P130 WeakPolarHBondContact O-CG 3.25Å; L127-A131 VanDerWaalsContact O-CB 3.32Å; L127-A131 WeakPolarHBondContact O-CB 3.3Å; L127-A131 PolarHBondContact O-N 3.04Å; L127-A131 VanDerWaalsContact O-N 3.11Å
128L85.8Confident83.7Confident100 Ų10086.6 Ų86.652%0.52444%0.435SS..Hα-helixtrans-63.7-31.4171.5-63.1174000112L108 L125 W126 R132L108-L128 HydrophobicContact CD2-CB 4.43Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 VanDerWaalsContact O-CB 3.25Å; L125-L128 WeakPolarHBondContact O-CB 3.42Å; L125-L128 VanDerWaalsContact O-CG 3.22Å; L125-L128 WeakPolarHBondContact O-CG 3.32Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-L128 VanDerWaalsContact O-N 3.08Å; W126-L128 PolarHBondContact O-N 3.21Å; W126-L128 VanDerWaalsContact O-N 3.11Å; L128-R132 VanDerWaalsContact O-CB 3.3Å; L128-R132 WeakPolarHBondContact O-CB 3.22Å; L128-R132 PolarHBondContact O-N 3.08Å
129A83.8Confident83.5Confident18 Ų1883.5 Ų83.515%0.14942%0.422CS..Hα-helixtrans-62.9-56.7176.900000112.8L108 W126 L127 A131 R132 A133L108-A129 HydrophobicContact CD2-CB 3.82Å; W126-A129 WeakPolarHBondContact O-CB 3.12Å; W126-A129 PolarHBondContact O-N 3.17Å; L127-A129 PolarHBondContact O-N 3.32Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.02Å; A129-R132 PolarHBondContact O-N 3.26Å; A129-A133 PolarHBondContact O-N 3.22Å
130P83.6Confident83.2Confident49 Ų4985.9 Ų85.932%0.31843%0.432SS..Hα-helixtrans-65.3-34.5176.424.4-32.7000112.2W126 L127 R132 A133 L134W126-P130 WeakPolarHBondContact O-CD 3.3Å; L127-P130 HydrophobicContact CD2-CG 4.42Å; L127-P130 VanDerWaalsContact O-CD 3.25Å; L127-P130 WeakPolarHBondContact O-CD 3.5Å; L127-P130 VanDerWaalsContact O-CG 3.31Å; L127-P130 WeakPolarHBondContact O-CG 3.25Å; P130-R132 VanDerWaalsContact C-N 3.32Å; P130-R132 PolarHBondContact O-N 3.02Å; P130-A133 PolarHBondContact O-N 3.41Å; P130-L134 WeakPolarHBondContact O-CB 3.39Å; P130-L134 VanDerWaalsContact O-CG 3.25Å; P130-L134 WeakPolarHBondContact O-CG 3.22Å; P130-L134 PolarHBondContact O-N 3.11Å
131A85.3Confident83Confident54 Ų5489.5 Ų89.545%0.44644%0.435SS..Hα-helixtrans-59.8-43173.900000111.7L127 A129 H135L127-A131 VanDerWaalsContact O-CB 3.32Å; L127-A131 WeakPolarHBondContact O-CB 3.3Å; L127-A131 PolarHBondContact O-N 3.04Å; L127-A131 VanDerWaalsContact O-N 3.11Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.02Å; A131-H135 WeakPolarHBondContact O-CB 3.37Å; A131-H135 PolarHBondContact O-N 2.89Å
132R83.4Confident82.7Confident143 Ų14384.6 Ų84.654%0.5442%0.42SS..Hα-helixtrans-66.2-42.7175.8-171.663.8170.8174-1.5111.8L128 A129 P130 H135 L136L128-R132 VanDerWaalsContact O-CB 3.3Å; L128-R132 WeakPolarHBondContact O-CB 3.22Å; L128-R132 PolarHBondContact O-N 3.08Å; A129-R132 PolarHBondContact O-N 3.26Å; P130-R132 VanDerWaalsContact C-N 3.32Å; P130-R132 PolarHBondContact O-N 3.02Å; R132-H135 PolarHBondContact O-N 3.24Å; R132-L136 WeakPolarHBondContact O-CB 3.28Å; R132-L136 PolarHBondContact O-N 2.91Å
133A82.5Confident82.2Confident51 Ų5181.6 Ų81.642%0.42141%0.41SS..Hα-helixtrans-61.9-44.517700000111.8A129 P130 L136 L137A129-A133 PolarHBondContact O-N 3.22Å; P130-A133 PolarHBondContact O-N 3.41Å; A133-L136 PolarHBondContact O-N 3.45Å; A133-L137 WeakPolarHBondContact O-CB 3.4Å; A133-L137 WeakPolarHBondContact O-CG 3.31Å; A133-L137 PolarHBondContact O-N 2.96Å
134L84.3Confident81.8Confident113 Ų11383.6 Ų83.659%0.59243%0.426SS*.Hα-helixtrans-63.5-42175.1-72.2172.5000111.8P130 L136 L137 W138P130-L134 WeakPolarHBondContact O-CB 3.39Å; P130-L134 VanDerWaalsContact O-CG 3.25Å; P130-L134 WeakPolarHBondContact O-CG 3.22Å; P130-L134 PolarHBondContact O-N 3.11Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.26Å; L134-L137 PolarHBondContact O-N 3.35Å; L134-W138 VanDerWaalsContact O-CB 3.31Å; L134-W138 WeakPolarHBondContact O-CB 3.47Å; L134-W138 PolarHBondContact O-N 3.43Å
135H83.3Confident81.3Confident101 Ų10184.8 Ų84.847%0.46843%0.43SS..Hα-helixtrans-61.5-41.4174.5179.5-89.3000111.7A131 R132 W138 V139A131-H135 WeakPolarHBondContact O-CB 3.37Å; A131-H135 PolarHBondContact O-N 2.89Å; R132-H135 PolarHBondContact O-N 3.24Å; H135-W138 PolarHBondContact O-N 3.49Å; H135-V139 WeakPolarHBondContact O-CG2 3.22Å; H135-V139 PolarHBondContact O-N 2.92Å
136L80.6Confident80.6Confident51 Ų5186.9 Ų86.927%0.26744%0.436SS..Hα-helixtrans-66.6-42.7177.4-141.481.8000111.6H101 R132 A133 L134 W138 V139 N140H101-L136 WeakPolarHBondContact NE2-CD2 3.36Å; R132-L136 WeakPolarHBondContact O-CB 3.28Å; R132-L136 PolarHBondContact O-N 2.91Å; A133-L136 PolarHBondContact O-N 3.45Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 PolarHBondContact O-N 3.26Å; L136-W138 VanDerWaalsContact C-N 3.3Å; L136-W138 PolarHBondContact O-N 3.32Å; L136-V139 PolarHBondContact O-N 2.91Å; L136-N140 WeakPolarHBondContact O-CB 3.35Å; L136-N140 PolarHBondContact O-N 3.42Å; L136-N140 PolarHBondContact O-ND2 2.96Å
137L81.9Confident79.6Confident84 Ų8492.5 Ų92.544%0.4447%0.467SS..Hα-helixtrans-61.3-40.6173.2-75.8169.5000111.6A133 L134 F141 L142A133-L137 WeakPolarHBondContact O-CB 3.4Å; A133-L137 WeakPolarHBondContact O-CG 3.31Å; A133-L137 PolarHBondContact O-N 2.96Å; L134-L137 PolarHBondContact O-N 3.35Å; L137-F141 HydrophobicContact CD2-CD2 3.96Å; L137-F141 HydrophobicContact CD2-CE2 4.31Å; L137-F141 WeakPolarHBondContact O-CB 3.31Å; L137-F141 PolarHBondContact O-N 3.46Å; L137-L142 PolarHBondContact O-N 2.91Å; L137-L142 VanDerWaalsContact O-N 3.15Å
138W79.2Confident78.4Confident140 Ų14090.6 Ų90.653%0.5347%0.467SS..Iπ-helixtrans-62.5-52.6175.7-175.7-96.3000111.2L134 H135 L136 N140 L142 G143 F146L134-W138 VanDerWaalsContact O-CB 3.31Å; L134-W138 WeakPolarHBondContact O-CB 3.47Å; L134-W138 PolarHBondContact O-N 3.43Å; H135-W138 PolarHBondContact O-N 3.49Å; L136-W138 VanDerWaalsContact C-N 3.3Å; L136-W138 PolarHBondContact O-N 3.32Å; W138-N140 PolarHBondContact O-N 3.46Å; W138-L142 HydrophobicContact CD2-CB 4.43Å; W138-L142 HydrophobicContact CE3-CB 3.86Å; W138-L142 HydrophobicContact CE3-CD1 4.02Å; W138-L142 HydrophobicContact CZ3-CB 4.23Å; W138-G143 VanDerWaalsContact O-CA 3.31Å; W138-G143 WeakPolarHBondContact O-CA 3.48Å; W138-G143 PolarHBondContact O-N 3.28Å; W138-F146 HydrophobicContact CH2-CD2 4.22Å; W138-F146 HydrophobicContact CH2-CE2 4.44Å; W138-F146 HydrophobicContact CZ3-CD2 4.35Å; W138-F146 HydrophobicContact CZ3-CE2 4.26Å
139V79.3Confident76.8Confident74 Ų7494.5 Ų94.545%0.44848%0.482SS..Iπ-helixtrans-69.4-34.8-176.7174.70000112.7H135 L136 P144H135-V139 WeakPolarHBondContact O-CG2 3.22Å; H135-V139 PolarHBondContact O-N 2.92Å; L136-V139 PolarHBondContact O-N 2.91Å; V139-P144 VanDerWaalsContact O-CD 3.28Å; V139-P144 WeakPolarHBondContact O-CD 3.37Å
140N75.1Confident75Confident91 Ų9198.8 Ų98.849%0.48750%0.503SS..Iπ-helixtrans-93.6-29.5-172.1-66.7-20.9000114.5L136 W138L136-N140 WeakPolarHBondContact O-CB 3.35Å; L136-N140 PolarHBondContact O-N 3.42Å; L136-N140 PolarHBondContact O-ND2 2.96Å; W138-N140 PolarHBondContact O-N 3.46Å
141F76.3Confident73.3Confident145 Ų145102.8 Ų102.864%0.63653%0.529SS*.Iπ-helixtrans-118.9-56.7-174.1-68-88.1000112.5L137 W145L137-F141 HydrophobicContact CD2-CD2 3.96Å; L137-F141 HydrophobicContact CD2-CE2 4.31Å; L137-F141 WeakPolarHBondContact O-CB 3.31Å; L137-F141 PolarHBondContact O-N 3.46Å; F141-W145 WeakPolarHBondContact O-CB 3.25Å; F141-W145 PolarHBondContact O-N 3.45Å
142L75.4Confident71.5Confident73 Ų73104.3 Ų104.338%0.38254%0.536SS..Iπ-helixtrans-76.2-43.4-172.2-68.7152000112.1L137 W138 W145 F146L137-L142 PolarHBondContact O-N 2.91Å; L137-L142 VanDerWaalsContact O-N 3.15Å; W138-L142 HydrophobicContact CD2-CB 4.43Å; W138-L142 HydrophobicContact CE3-CB 3.86Å; W138-L142 HydrophobicContact CE3-CD1 4.02Å; W138-L142 HydrophobicContact CZ3-CB 4.23Å; L142-W145 CarbonylContact O-C 3.59Å; L142-W145 PolarHBondContact O-N 3.31Å; L142-W145 VanDerWaalsContact O-N 3.1Å; L142-F146 HydrophobicContact CB-CD2 4.11Å; L142-F146 HydrophobicContact CB-CE2 4.19Å; L142-F146 HydrophobicContact CD2-CE2 3.86Å; L142-F146 WeakPolarHBondContact O-CB 3.36Å; L142-F146 WeakPolarHBondContact O-CD2 3.17Å; L142-F146 PolarHBondContact O-N 3.39Å
143G75.9Confident70Confident10 Ų10101.6 Ų101.610%0.10354%0.544CS..Hα-helixtrans-58.1-50.8-179.700000112.2W138 W145 F146 M147W138-G143 VanDerWaalsContact O-CA 3.31Å; W138-G143 WeakPolarHBondContact O-CA 3.48Å; W138-G143 PolarHBondContact O-N 3.28Å; G143-W145 VanDerWaalsContact C-N 3.28Å; G143-W145 PolarHBondContact O-N 3.24Å; G143-F146 PolarHBondContact O-N 2.87Å; G143-M147 VanDerWaalsContact O-CB 3.25Å; G143-M147 WeakPolarHBondContact O-CB 3.38Å; G143-M147 WeakPolarHBondContact O-CG 3.36Å; G143-M147 PolarHBondContact O-N 3.38Å
144P76.8Confident68.2Low71 Ų71105.1 Ų105.146%0.46156%0.563SS.*Hα-helixtrans-62-34.1173.6-25.435.7000113V139 A148V139-P144 VanDerWaalsContact O-CD 3.28Å; V139-P144 WeakPolarHBondContact O-CD 3.37Å; P144-A148 WeakPolarHBondContact O-CA 3.22Å; P144-A148 WeakPolarHBondContact O-CB 3.4Å; P144-A148 PolarHBondContact O-N 3.4Å
145W74.8Confident66.5Low186 Ų186107.4 Ų107.471%0.70557%0.57SS**Hα-helixtrans-73.6-40179.1-170.776.3000112.9F141 L142 G143 A148F141-W145 WeakPolarHBondContact O-CB 3.25Å; F141-W145 PolarHBondContact O-N 3.45Å; L142-W145 CarbonylContact O-C 3.59Å; L142-W145 PolarHBondContact O-N 3.31Å; L142-W145 VanDerWaalsContact O-N 3.1Å; G143-W145 VanDerWaalsContact C-N 3.28Å; G143-W145 PolarHBondContact O-N 3.24Å; W145-A148 PolarHBondContact O-N 3.17Å
146F74.1Confident64.8Low111 Ų111110.5 Ų110.549%0.48759%0.585SS.*Hα-helixtrans-75.2-31.5174.6-77.9-67.5000112.9W138 L142 G143 A148W138-F146 HydrophobicContact CH2-CD2 4.22Å; W138-F146 HydrophobicContact CH2-CE2 4.44Å; W138-F146 HydrophobicContact CZ3-CD2 4.35Å; W138-F146 HydrophobicContact CZ3-CE2 4.26Å; L142-F146 HydrophobicContact CB-CD2 4.11Å; L142-F146 HydrophobicContact CB-CE2 4.19Å; L142-F146 HydrophobicContact CD2-CE2 3.86Å; L142-F146 WeakPolarHBondContact O-CB 3.36Å; L142-F146 WeakPolarHBondContact O-CD2 3.17Å; L142-F146 PolarHBondContact O-N 3.39Å; G143-F146 PolarHBondContact O-N 2.87Å; F146-A148 VanDerWaalsContact C-N 3.34Å
147M65.3Low63.4Low170 Ų170113.6 Ų113.684%0.83761%0.606SS**THydrogen-bonded Turntrans-86.1-4.5172.5-65.8-167.5-176.500113.1G143 E149G143-M147 VanDerWaalsContact O-CB 3.25Å; G143-M147 WeakPolarHBondContact O-CB 3.38Å; G143-M147 WeakPolarHBondContact O-CG 3.36Å; G143-M147 PolarHBondContact O-N 3.38Å; M147-E149 PolarHBondContact O-N 3.42Å
148A60.6Low62.1Low68 Ų68114 Ų11456%0.56261%0.609SS**THydrogen-bonded Turntrans-77.74.8172.800000112.9P144 W145 F146 N150P144-A148 WeakPolarHBondContact O-CA 3.22Å; P144-A148 WeakPolarHBondContact O-CB 3.4Å; P144-A148 PolarHBondContact O-N 3.4Å; W145-A148 PolarHBondContact O-N 3.17Å; F146-A148 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.84Å
149E51.8Low61Low181 Ų181112 Ų11285%0.84661%0.605SS**  trans-81.870.3170.4-156.7146.8-147.700110.4M147M147-E149 PolarHBondContact O-N 3.42Å
150N45Very low60Low108 Ų108116.6 Ų116.658%0.57862%0.619SS**  -172.4110.7121.8-154.7-8000110.1A148 S152A148-N150 PolarHBondContact O-N 2.84Å; N150-S152 PolarHBondContact ND2-OG 3.28Å; N150-S152 PolarHBondContact O-N 3.1Å; N150-S152 PolarHBondContact OD1-OG 2.8Å
151P48.2Very low59.1Low134 Ų134119.3 Ų119.387%0.8763%0.627SS**THydrogen-bonded Turntrans-74.639.9168.833.2-33.7000111.8
152S48Very low58.3Low86 Ų86117 Ų11760%0.60162%0.617SS**THydrogen-bonded Turntrans-139.339175.656.50000114.5N150N150-S152 PolarHBondContact ND2-OG 3.28Å; N150-S152 PolarHBondContact O-N 3.1Å; N150-S152 PolarHBondContact OD1-OG 2.8Å
153A50.9Low57.6Low86 Ų86120.2 Ų120.271%0.71163%0.625SS**  trans-164.494.4153.500000111.4
154P44.9Very low57Low124 Ų124128.6 Ų128.681%0.80565%0.653SS**SBend-148.858.6117.938-20000113.6
155E48.2Very low56.4Low161 Ų161131 Ų13175%0.75266%0.658SS**SBendtrans-97.7-19.8172-103.4-178.4163.200114.6V157 N158E155-V157 PolarHBondContact O-N 3.15Å; E155-N158 PolarHBondContact O-N 3.36Å
156E49.6Very low55.9Low167 Ų167127.9 Ų127.978%0.7865%0.651SS**Hα-helixtrans-73.9-24.8-170.8-64.8-163.3158.100115.2
157V51.2Low55.3Low116 Ų116131.8 Ų131.870%0.70366%0.663SS**Hα-helixtrans-83.3-24.3-178.3-176.90000111.9E155E155-V157 PolarHBondContact O-N 3.15Å
158N52.6Low55.2Low93 Ų93132.5 Ų132.550%0.49766%0.656SS.*Hα-helixtrans-86.2-38.4-176.5-1460.4000112.1E155 K160 K161 Q162E155-N158 PolarHBondContact O-N 3.36Å; N158-K160 PolarHBondContact O-N 3.22Å; N158-K161 PolarHBondContact O-N 3.04Å; N158-Q162 WeakPolarHBondContact O-CB 3.32Å; N158-Q162 WeakPolarHBondContact O-CG 3.38Å; N158-Q162 PolarHBondContact O-N 3Å
159E56.1Low55.3Low96 Ų96135.3 Ų135.345%0.44966%0.658SS.*Hα-helixtrans-63.2-43179.3-77.4-154117.400113.4K161 Q162 R163E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 2.93Å; E159-Q162 PolarHBondContact O-N 3.34Å; E159-R163 WeakPolarHBondContact O-CB 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.26Å; E159-R163 PolarHBondContact O-N 2.8Å; E159-R163 IonicContact OE1-NH2 2.61Å; E159-R163 PolarHBondContact OE1-NH2 3.39Å; E159-R163 IonicContact OE2-NH2 3.17Å
160K58.3Low55.8Low172 Ų172132 Ų13275%0.74865%0.65SS**Hα-helixtrans-66.7-31.4179.9-85.1178.4-179.5166.50112.7N158 R164N158-K160 PolarHBondContact O-N 3.22Å; K160-R164 PolarHBondContact O-N 3.11Å
161K57.1Low56.4Low148 Ų148135.8 Ų135.864%0.64366%0.661SS**Hα-helixtrans-76.6-43.7174.8-89.8-177176.6177.30111.4N158 E159 R164 Q165N158-K161 PolarHBondContact O-N 3.04Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 2.93Å; K161-R164 PolarHBondContact O-N 2.9Å; K161-Q165 PolarHBondContact O-N 2.83Å
162Q59Low56.7Low95 Ų95140.2 Ų140.244%0.44466%0.66SS.*Hα-helixtrans-62.6-47.6177.5-74.7178.4-7.500111.7N158 E159 R164 Q165 E166N158-Q162 WeakPolarHBondContact O-CB 3.32Å; N158-Q162 WeakPolarHBondContact O-CG 3.38Å; N158-Q162 PolarHBondContact O-N 3Å; E159-Q162 PolarHBondContact O-N 3.34Å; Q162-R164 VanDerWaalsContact C-N 3.28Å; Q162-R164 PolarHBondContact O-N 2.89Å; Q162-Q165 WeakPolarHBondContact O-CA 3.46Å; Q162-Q165 WeakPolarHBondContact O-CB 3.03Å; Q162-Q165 PolarHBondContact O-N 3.46Å; Q162-E166 PolarHBondContact O-N 3.45Å
163R60.8Low56.6Low142 Ų142148 Ų14854%0.53668%0.684SS.*Hα-helixtrans-61.8-31.5176.2-70.5-176.2-169.4-172.89.5113.4E159 R167E159-R163 WeakPolarHBondContact O-CB 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.26Å; E159-R163 PolarHBondContact O-N 2.8Å; E159-R163 IonicContact OE1-NH2 2.61Å; E159-R163 PolarHBondContact OE1-NH2 3.39Å; E159-R163 IonicContact OE2-NH2 3.17Å; R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 VanDerWaalsContact O-CG 3.31Å; R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 2.68Å; R163-R167 VanDerWaalsContact O-N 3.17Å
164R63.3Low56.9Low186 Ų186151.1 Ų151.170%0.70268%0.682SS**Hα-helixtrans-73.1-31.5173.3-104.4-177172.7-174.7-0.2112.4K160 K161 Q162 R168K160-R164 PolarHBondContact O-N 3.11Å; K161-R164 PolarHBondContact O-N 2.9Å; Q162-R164 VanDerWaalsContact C-N 3.28Å; Q162-R164 PolarHBondContact O-N 2.89Å; R164-R168 WeakPolarHBondContact O-CG 3.25Å; R164-R168 PolarHBondContact O-N 2.87Å
165Q65Low57.5Low121 Ų121152.5 Ų152.557%0.56568%0.676SS**Hα-helixtrans-74-42.6177.1-129167.4-2400110.9K161 Q162 R168 Q169K161-Q165 PolarHBondContact O-N 2.83Å; Q162-Q165 WeakPolarHBondContact O-CA 3.46Å; Q162-Q165 WeakPolarHBondContact O-CB 3.03Å; Q162-Q165 PolarHBondContact O-N 3.46Å; Q165-R168 PolarHBondContact O-N 3.34Å; Q165-R168 VanDerWaalsContact O-N 3.16Å; Q165-Q169 WeakPolarHBondContact O-CG 3.35Å; Q165-Q169 PolarHBondContact O-N 3.17Å
166E63.1Low58Low120 Ų120152.1 Ų152.156%0.56167%0.672SS**Hα-helixtrans-63.2-45.2175.6-71.2179163.300112.1Q162 R168 Q169 V170Q162-E166 PolarHBondContact O-N 3.45Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-R168 VanDerWaalsContact O-N 3.1Å; E166-Q169 PolarHBondContact O-N 2.98Å; E166-V170 WeakPolarHBondContact O-CG2 3.35Å; E166-V170 PolarHBondContact O-N 3.32Å; E166-V170 VanDerWaalsContact O-N 3.11Å
167R63.2Low58.5Low194 Ų194151.2 Ų151.273%0.73267%0.665SS**Hα-helixtrans-60.6-22.6175.1-75.5-178.6-177.5-157.31.1114R163R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 VanDerWaalsContact O-CG 3.31Å; R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 2.68Å; R163-R167 VanDerWaalsContact O-N 3.17Å
168R63.1Low59Low185 Ų185153.4 Ų153.470%0.69866%0.663SS**Hα-helixtrans-85.8-27.3176.4-76176.3175.7-171.2-1.8112.8R164 Q165 E166R164-R168 WeakPolarHBondContact O-CG 3.25Å; R164-R168 PolarHBondContact O-N 2.87Å; Q165-R168 PolarHBondContact O-N 3.34Å; Q165-R168 VanDerWaalsContact O-N 3.16Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-R168 VanDerWaalsContact O-N 3.1Å
169Q62.9Low59.4Low127 Ų127157.4 Ų157.459%0.59367%0.674SS**Hα-helixtrans-79-37.6177.8-67.8-175.525.100111.7Q165 E166 K171 R172Q165-Q169 WeakPolarHBondContact O-CG 3.35Å; Q165-Q169 PolarHBondContact O-N 3.17Å; E166-Q169 PolarHBondContact O-N 2.98Å; Q169-K171 VanDerWaalsContact C-N 3.27Å; Q169-K171 PolarHBondContact O-N 2.66Å; Q169-R172 PolarHBondContact O-N 3.03Å
170V61.5Low59.6Low111 Ų111161.8 Ų161.867%0.67369%0.69SS**G310 helixtrans-69.6-21.6179.3-178.70000113E166 R172E166-V170 WeakPolarHBondContact O-CG2 3.35Å; E166-V170 PolarHBondContact O-N 3.32Å; E166-V170 VanDerWaalsContact O-N 3.11Å; V170-R172 VanDerWaalsContact C-N 3.32Å
171K57.4Low59.7Low188 Ų188161 Ų16182%0.81769%0.686SS**G310 helixtrans-84.10175.3-78.9-169.5174.3-166.50114.5Q169Q169-K171 VanDerWaalsContact C-N 3.27Å; Q169-K171 PolarHBondContact O-N 2.66Å
172R54Low60Low227 Ų227162.1 Ų162.186%0.85769%0.689SS**G310 helixtrans-107.94.8179.9-81.1-171.8173.3-171.2-2.6113.6Q169 V170Q169-R172 PolarHBondContact O-N 3.03Å; V170-R172 VanDerWaalsContact C-N 3.32Å
173F46.4Very low60.1Low249 Ų249168.2 Ų168.2100%1.09271%0.711SS**  trans-112.90164.7-73.6-81.6000108.4

Retrieved 173 of 173 residues in 129 ms (Link to these results)

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