A0A087XMQ8_POEFO Loading...

HTH CENPB-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XMQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1S38.2Very low65.6Low172 Ų172109 Ų109100%1.20359%0.592SS**  0105.9041.30000109G3S1-G3 PolarHBondContact O-N 3.22Å; S1-G3 VanDerWaalsContact O-N 3.1Å
2S41.6Very low67.5Low126 Ų126107.5 Ų107.588%0.88157%0.573SS**  trans-71.1107.2176.456.20000108.7K4S2-K4 PolarHBondContact O-N 2.89Å
3G48.5Very low69.2Low70 Ų70101.4 Ų101.472%0.72254%0.538SS*.  trans-55.6136.1178.200000110.7S1 R5S1-G3 PolarHBondContact O-N 3.22Å; S1-G3 VanDerWaalsContact O-N 3.1Å; G3-R5 PolarHBondContact O-N 3.12Å
4K48.6Very low70.6Confident209 Ų20996.8 Ų96.891%0.90951%0.511SS*.  trans-47.7118.1174-95.7177.3175.1173.50109.3S2 K6S2-K4 PolarHBondContact O-N 2.89Å; K4-K6 PolarHBondContact O-N 3.01Å
5R56.9Low71.8Confident239 Ų23993.4 Ų93.490%0.90250%0.502SS*.  trans-62108.8179.3-159.5175.1-165.5172.54.3109.1G3G3-R5 PolarHBondContact O-N 3.12Å
6K70.8Confident73Confident142 Ų14287.9 Ų87.962%0.61747%0.473SS*.  trans-69.3137.8177.5-64.5-177.7-179.3178.90109.8K4 Y8K4-K6 PolarHBondContact O-N 3.01Å; K6-Y8 HydrophobicContact CB-CE1 4.46Å; K6-Y8 HydrophobicContact CB-CE2 3.81Å; K6-Y8 WeakPolarHBondContact CB-OH 3.3Å; K6-Y8 VanDerWaalsContact CD-OH 3.24Å; K6-Y8 WeakPolarHBondContact CD-OH 3.47Å
7S75.8Confident74Confident60 Ų6082.7 Ų82.742%0.4245%0.445SS..  trans-125.2129.8-178.2-174.20000109.3R61S7-R61 WeakPolarHBondContact OG-CB 3.15Å
8Y83.6Confident74.9Confident41 Ų4182.6 Ų82.616%0.16144%0.441CS..  trans-121.6143.1-169-56-82.6000111.4K6 Y12 K13 L34 L38 W42 R61K6-Y8 HydrophobicContact CB-CE1 4.46Å; K6-Y8 HydrophobicContact CB-CE2 3.81Å; K6-Y8 WeakPolarHBondContact CB-OH 3.3Å; K6-Y8 VanDerWaalsContact CD-OH 3.24Å; K6-Y8 WeakPolarHBondContact CD-OH 3.47Å; Y8-Y12 AromaticContact CD1-CD1 3.51Å; Y8-Y12 HydrophobicContact CD1-CD1 3.51Å; Y8-Y12 AromaticContact CD1-CE1 3.26Å; Y8-Y12 HydrophobicContact CD1-CE1 3.26Å; Y8-Y12 HydrophobicContact CD1-CG 4.47Å; Y8-Y12 HydrophobicContact CE1-CD1 4.41Å; Y8-Y12 AromaticContact CE1-CE1 3.72Å; Y8-Y12 HydrophobicContact CE1-CE1 3.72Å; Y8-Y12 AromaticContact CG-CD1 3.98Å; Y8-Y12 HydrophobicContact CG-CD1 3.98Å; Y8-Y12 HydrophobicContact CG-CE1 4.06Å; Y8-K13 WeakPolarHBondContact O-CE 3.41Å; Y8-K13 PolarHBondContact O-NZ 3.46Å; Y8-L34 HydrophobicContact CE1-CD2 4.02Å; Y8-L34 WeakPolarHBondContact OH-CD2 3.19Å; Y8-L38 HydrophobicContact CD2-CD2 4.16Å; Y8-L38 HydrophobicContact CE2-CD2 3.67Å; Y8-W42 HydrophobicContact CD1-CH2 4.32Å; Y8-W42 AromaticContact CD2-CH2 3.55Å; Y8-W42 HydrophobicContact CD2-CH2 3.55Å; Y8-W42 AromaticContact CD2-CZ2 3.61Å; Y8-W42 HydrophobicContact CD2-CZ2 3.61Å; Y8-W42 HydrophobicContact CE2-CH2 4.01Å; Y8-W42 HydrophobicContact CE2-CZ2 4.27Å; Y8-W42 AromaticContact CG-CH2 3.71Å; Y8-W42 HydrophobicContact CG-CH2 3.71Å; Y8-W42 HydrophobicContact CG-CZ2 4.04Å; Y8-R61 WeakPolarHBondContact O-CA 3.41Å
9T85.9Confident75.6Confident33 Ų3382.2 Ų82.220%0.20244%0.436CS..  trans-71.8156.4178.354.60000111.9E11 Y12 K13 K59 K60 R61T9-E11 VanDerWaalsContact C-N 3.28Å; T9-E11 PolarHBondContact O-N 2.77Å; T9-Y12 PolarHBondContact O-N 2.93Å; T9-Y12 WeakPolarHBondContact OG1-CB 3.46Å; T9-Y12 PolarHBondContact OG1-N 3.45Å; T9-K13 VanDerWaalsContact O-CG 3.28Å; T9-K13 WeakPolarHBondContact O-CG 3.4Å; T9-K13 PolarHBondContact O-N 2.92Å; T9-K59 WeakPolarHBondContact CG2-O 3.41Å; T9-K60 CarbonylContact C-O 3.54Å; T9-K60 VanDerWaalsContact CA-O 3.29Å; T9-K60 WeakPolarHBondContact CA-O 3.36Å; T9-R61 HydrophobicContact CG2-CG 3.67Å
10V83.6Confident76.2Confident0 Ų078.1 Ų78.10%041%0.414CS..Hα-helixtrans-55.9-45.1176.6-1770000111Y12 K13 K14 L49 K52 V53 A58 K60 I63V10-Y12 PolarHBondContact O-N 3.26Å; V10-K13 PolarHBondContact O-N 3.49Å; V10-K14 PolarHBondContact O-N 3.42Å; V10-L49 HydrophobicContact CG1-CD2 3.8Å; V10-K52 HydrophobicContact CG1-CB 4.25Å; V10-V53 HydrophobicContact CG1-CG2 4.04Å; V10-A58 PolarHBondContact N-O 2.73Å; V10-K60 HydrophobicContact CG2-CB 4.4Å; V10-K60 VanDerWaalsContact CG2-O 3.28Å; V10-K60 WeakPolarHBondContact CG2-O 3.36Å; V10-K60 PolarHBondContact N-O 3.42Å; V10-I63 HydrophobicContact CG2-CD1 3.81Å; V10-I63 HydrophobicContact CG2-CG1 4.03Å
11E88.1Confident76.8Confident107 Ų10780.3 Ų80.350%0.542%0.417SS..Hα-helixtrans-60.2-44.6176.8-174.8177-165.100112.6T9 K13 K14 A15 A58T9-E11 VanDerWaalsContact C-N 3.28Å; T9-E11 PolarHBondContact O-N 2.77Å; E11-K13 VanDerWaalsContact C-N 3.33Å; E11-K13 PolarHBondContact O-N 2.85Å; E11-K14 PolarHBondContact O-N 3.17Å; E11-A15 WeakPolarHBondContact O-CB 3.47Å; E11-A15 PolarHBondContact O-N 2.89Å; E11-A58 HydrophobicContact CB-CB 4.17Å; E11-A58 WeakPolarHBondContact CB-O 3.31Å; E11-A58 PolarHBondContact N-O 3.5Å
12Y88.5Confident78.8Confident91 Ų9176.6 Ų76.636%0.35741%0.406SS..Hα-helixtrans-63.4-40.5177.3-178.5-89.7000111.6Y8 T9 V10 A15 I16 W42Y8-Y12 AromaticContact CD1-CD1 3.51Å; Y8-Y12 HydrophobicContact CD1-CD1 3.51Å; Y8-Y12 AromaticContact CD1-CE1 3.26Å; Y8-Y12 HydrophobicContact CD1-CE1 3.26Å; Y8-Y12 HydrophobicContact CD1-CG 4.47Å; Y8-Y12 HydrophobicContact CE1-CD1 4.41Å; Y8-Y12 AromaticContact CE1-CE1 3.72Å; Y8-Y12 HydrophobicContact CE1-CE1 3.72Å; Y8-Y12 AromaticContact CG-CD1 3.98Å; Y8-Y12 HydrophobicContact CG-CD1 3.98Å; Y8-Y12 HydrophobicContact CG-CE1 4.06Å; T9-Y12 PolarHBondContact O-N 2.93Å; T9-Y12 WeakPolarHBondContact OG1-CB 3.46Å; T9-Y12 PolarHBondContact OG1-N 3.45Å; V10-Y12 PolarHBondContact O-N 3.26Å; Y12-A15 PolarHBondContact O-N 3.36Å; Y12-I16 HydrophobicContact CD1-CG1 3.97Å; Y12-I16 HydrophobicContact CE1-CD1 4.25Å; Y12-I16 HydrophobicContact CE1-CG1 3.61Å; Y12-I16 HydrophobicContact CE2-CD1 4.44Å; Y12-I16 HydrophobicContact CE2-CG1 4.33Å; Y12-I16 HydrophobicContact CG-CG1 4.49Å; Y12-I16 WeakPolarHBondContact O-CB 3.27Å; Y12-I16 VanDerWaalsContact O-CG1 3.23Å; Y12-I16 WeakPolarHBondContact O-CG1 3.41Å; Y12-I16 PolarHBondContact O-N 2.8Å; Y12-W42 HydrophobicContact CE1-CH2 4.45Å; Y12-W42 HydrophobicContact CE1-CZ3 4.46Å
13K90.1Very high81Confident28 Ų2875.3 Ų75.312%0.12238%0.384CS..Hα-helixtrans-62.8-44.6176.5-64.7174-174.5164.10111.3Y8 T9 V10 E11 I16 V17 W42 L49 R61Y8-K13 WeakPolarHBondContact O-CE 3.41Å; Y8-K13 PolarHBondContact O-NZ 3.46Å; T9-K13 VanDerWaalsContact O-CG 3.28Å; T9-K13 WeakPolarHBondContact O-CG 3.4Å; T9-K13 PolarHBondContact O-N 2.92Å; V10-K13 PolarHBondContact O-N 3.49Å; E11-K13 VanDerWaalsContact C-N 3.33Å; E11-K13 PolarHBondContact O-N 2.85Å; K13-I16 PolarHBondContact O-N 3.39Å; K13-V17 WeakPolarHBondContact O-CG2 3.46Å; K13-V17 PolarHBondContact O-N 3.39Å; K13-W42 HydrophobicContact CB-CD2 3.88Å; K13-W42 HydrophobicContact CB-CE3 4.1Å; K13-W42 HydrophobicContact CB-CG 4.12Å; K13-W42 HydrophobicContact CD-CD2 4.26Å; K13-W42 HydrophobicContact CD-CG 4.41Å; K13-W42 HydrophobicContact CD-CZ2 4.11Å; K13-W42 HydrophobicContact CG-CD2 3.7Å; K13-W42 VanDerWaalsContact CG-CE2 3.46Å; K13-W42 HydrophobicContact CG-CE3 4.07Å; K13-W42 HydrophobicContact CG-CG 4.21Å; K13-W42 HydrophobicContact CG-CH2 4Å; K13-W42 HydrophobicContact CG-CZ2 3.62Å; K13-W42 HydrophobicContact CG-CZ3 4.21Å; K13-L49 HydrophobicContact CB-CD1 3.91Å; K13-L49 HydrophobicContact CB-CD2 4.17Å; K13-L49 HydrophobicContact CD-CD2 4.21Å; K13-R61 PolarHBondContact NZ-O 2.8Å
14K88.8Confident82.8Confident37 Ų3777.2 Ų77.216%0.16138%0.378CS..Hα-helixtrans-60.5-51.7177-175.2-179.4174.1-179.50110.7V10 E11 I16 V17 E18 Y46 V53V10-K14 PolarHBondContact O-N 3.42Å; E11-K14 PolarHBondContact O-N 3.17Å; K14-I16 VanDerWaalsContact C-N 3.32Å; K14-I16 PolarHBondContact O-N 2.98Å; K14-V17 WeakPolarHBondContact O-CB 3.42Å; K14-V17 PolarHBondContact O-N 3.27Å; K14-E18 WeakPolarHBondContact CE-OE1 3.19Å; K14-E18 HydrophobicContact CG-CG 4.49Å; K14-E18 IonicContact NZ-OE1 3.35Å; K14-E18 WeakPolarHBondContact O-CG 3.43Å; K14-E18 PolarHBondContact O-N 3.49Å; K14-Y46 HydrophobicContact CG-CE2 4.01Å; K14-V53 HydrophobicContact CD-CB 4.31Å; K14-V53 HydrophobicContact CD-CG2 3.88Å
15A88.7Confident84.4Confident46 Ų4668.4 Ų68.438%0.3834%0.342SS..Hα-helixtrans-59.3-40.5179.300000112.7E11 Y12 V17 E18 E19E11-A15 WeakPolarHBondContact O-CB 3.47Å; E11-A15 PolarHBondContact O-N 2.89Å; Y12-A15 PolarHBondContact O-N 3.36Å; A15-V17 VanDerWaalsContact C-N 3.35Å; A15-E18 PolarHBondContact O-N 2.6Å; A15-E19 VanDerWaalsContact O-CB 3.31Å; A15-E19 WeakPolarHBondContact O-CB 3.15Å; A15-E19 PolarHBondContact O-N 2.96Å
16I90.7Very high85.6Confident5 Ų560.6 Ų60.63%0.02632%0.32CS..Hα-helixtrans-65.9-37.4176.2-71.5-65.3000111.9Y12 K13 K14 S20 F28 L34 V39 W42Y12-I16 HydrophobicContact CD1-CG1 3.97Å; Y12-I16 HydrophobicContact CE1-CD1 4.25Å; Y12-I16 HydrophobicContact CE1-CG1 3.61Å; Y12-I16 HydrophobicContact CE2-CD1 4.44Å; Y12-I16 HydrophobicContact CE2-CG1 4.33Å; Y12-I16 HydrophobicContact CG-CG1 4.49Å; Y12-I16 WeakPolarHBondContact O-CB 3.27Å; Y12-I16 VanDerWaalsContact O-CG1 3.23Å; Y12-I16 WeakPolarHBondContact O-CG1 3.41Å; Y12-I16 PolarHBondContact O-N 2.8Å; K13-I16 PolarHBondContact O-N 3.39Å; K14-I16 VanDerWaalsContact C-N 3.32Å; K14-I16 PolarHBondContact O-N 2.98Å; I16-S20 VanDerWaalsContact O-CB 3.26Å; I16-S20 WeakPolarHBondContact O-CB 3.39Å; I16-S20 PolarHBondContact O-N 2.94Å; I16-S20 VanDerWaalsContact O-N 3.1Å; I16-F28 HydrophobicContact CD1-CZ 4.45Å; I16-F28 HydrophobicContact CG2-CE1 3.95Å; I16-F28 HydrophobicContact CG2-CZ 4.26Å; I16-L34 HydrophobicContact CD1-CD1 3.94Å; I16-L34 HydrophobicContact CG1-CD1 4.17Å; I16-L34 HydrophobicContact CG2-CD1 3.76Å; I16-V39 HydrophobicContact CG2-CG2 4.2Å; I16-W42 HydrophobicContact CB-CE3 4.34Å; I16-W42 HydrophobicContact CB-CZ3 4.21Å; I16-W42 HydrophobicContact CG1-CZ3 4.48Å; I16-W42 HydrophobicContact CG2-CE3 4.02Å; I16-W42 HydrophobicContact CG2-CZ3 3.95Å
17V89Confident86.2Confident0 Ų058.4 Ų58.40%031%0.313CS..Hα-helixtrans-65.6-46.2175170.60000110.3K13 K14 A15 E19 S20 W21 W42 R43 Y46K13-V17 WeakPolarHBondContact O-CG2 3.46Å; K13-V17 PolarHBondContact O-N 3.39Å; K14-V17 WeakPolarHBondContact O-CB 3.42Å; K14-V17 PolarHBondContact O-N 3.27Å; A15-V17 VanDerWaalsContact C-N 3.35Å; V17-E19 PolarHBondContact O-N 3.46Å; V17-S20 PolarHBondContact O-N 2.87Å; V17-S20 VanDerWaalsContact O-N 3.16Å; V17-S20 PolarHBondContact O-OG 3.33Å; V17-W21 HydrophobicContact CG1-CZ2 3.84Å; V17-W21 PolarHBondContact O-N 3.13Å; V17-W42 VanDerWaalsContact CG2-C 3.45Å; V17-W42 HydrophobicContact CG2-CB 3.45Å; V17-W42 VanDerWaalsContact CG2-CB 3.45Å; V17-R43 HydrophobicContact CG1-CG 3.92Å; V17-R43 HydrophobicContact CG2-CG 4.25Å; V17-Y46 HydrophobicContact CB-CD2 4.08Å; V17-Y46 HydrophobicContact CG1-CD2 3.48Å; V17-Y46 VanDerWaalsContact CG1-CD2 3.48Å; V17-Y46 HydrophobicContact CG1-CE2 4.23Å; V17-Y46 HydrophobicContact CG1-CG 4.1Å
18E90.6Very high86.8Confident81 Ų8155.7 Ų55.738%0.37929%0.293SS..Hα-helixtrans-59.6-46.9178.1-68.8173.2161.500111.9K14 A15 S20 W21 Y46K14-E18 WeakPolarHBondContact CE-OE1 3.19Å; K14-E18 HydrophobicContact CG-CG 4.49Å; K14-E18 IonicContact NZ-OE1 3.35Å; K14-E18 WeakPolarHBondContact O-CG 3.43Å; K14-E18 PolarHBondContact O-N 3.49Å; A15-E18 PolarHBondContact O-N 2.6Å; E18-S20 PolarHBondContact O-N 3.43Å; E18-W21 VanDerWaalsContact CA-CE3 3.44Å; E18-W21 HydrophobicContact CB-CE3 4.18Å; E18-W21 HydrophobicContact CB-CZ3 4.03Å; E18-W21 HydrophobicContact CG-CE3 4.26Å; E18-W21 HydrophobicContact CG-CH2 4.15Å; E18-W21 HydrophobicContact CG-CZ3 3.61Å; E18-W21 PolarHBondContact O-N 3.27Å; E18-Y46 HydrophobicContact CG-CE2 3.97Å; E18-Y46 PolarHBondContact OE1-OH 3.46Å
19E88.6Confident87Confident74 Ų7454 Ų5435%0.34629%0.287SS..Hα-helixtrans-68.4-21.7179.2-160-168.7161.500113A15 V17 K23 F28 K32A15-E19 VanDerWaalsContact O-CB 3.31Å; A15-E19 WeakPolarHBondContact O-CB 3.15Å; A15-E19 PolarHBondContact O-N 2.96Å; V17-E19 PolarHBondContact O-N 3.46Å; E19-K23 WeakPolarHBondContact O-CD 3.22Å; E19-K23 WeakPolarHBondContact O-CE 3.49Å; E19-K23 PolarHBondContact O-NZ 3.46Å; E19-K23 IonicContact OE1-NZ 2.95Å; E19-F28 HydrophobicContact CB-CE2 4.14Å; E19-F28 HydrophobicContact CB-CZ 4.11Å; E19-F28 HydrophobicContact CG-CE2 3.97Å; E19-F28 HydrophobicContact CG-CZ 4.4Å; E19-K32 WeakPolarHBondContact OE1-CE 3.23Å; E19-K32 IonicContact OE1-NZ 2.89Å; E19-K32 PolarHBondContact OE1-NZ 3.47Å; E19-K32 WeakPolarHBondContact OE2-CE 3.39Å; E19-K32 IonicContact OE2-NZ 2.65Å; E19-K32 PolarHBondContact OE2-NZ 2.85Å
20S88.2Confident87Confident0 Ų059.4 Ų59.40%031%0.308CS..Hα-helixtrans-81.7-18.9179.479.70000113.3I16 V17 E18 K23 R43I16-S20 VanDerWaalsContact O-CB 3.26Å; I16-S20 WeakPolarHBondContact O-CB 3.39Å; I16-S20 PolarHBondContact O-N 2.94Å; I16-S20 VanDerWaalsContact O-N 3.1Å; V17-S20 PolarHBondContact O-N 2.87Å; V17-S20 VanDerWaalsContact O-N 3.16Å; V17-S20 PolarHBondContact O-OG 3.33Å; E18-S20 PolarHBondContact O-N 3.43Å; S20-K23 PolarHBondContact O-N 3.4Å; S20-R43 VanDerWaalsContact C-NH2 3.27Å; S20-R43 VanDerWaalsContact CB-NH2 3.3Å; S20-R43 PolarHBondContact O-NH2 2.71Å; S20-R43 PolarHBondContact OG-NE 3.44Å; S20-R43 PolarHBondContact OG-NH2 2.83Å
21W88.1Confident87.1Confident126 Ų12665.2 Ų65.248%0.47734%0.335SS..THydrogen-bonded Turntrans-65.7139.6-178.9-72.2-46.7000111.5V17 E18 K23 Y46V17-W21 HydrophobicContact CG1-CZ2 3.84Å; V17-W21 PolarHBondContact O-N 3.13Å; E18-W21 VanDerWaalsContact CA-CE3 3.44Å; E18-W21 HydrophobicContact CB-CE3 4.18Å; E18-W21 HydrophobicContact CB-CZ3 4.03Å; E18-W21 HydrophobicContact CG-CE3 4.26Å; E18-W21 HydrophobicContact CG-CH2 4.15Å; E18-W21 HydrophobicContact CG-CZ3 3.61Å; E18-W21 PolarHBondContact O-N 3.27Å; W21-K23 PolarHBondContact O-N 3.04Å; W21-Y46 HydrophobicContact CH2-CD1 4.06Å; W21-Y46 AromaticContact CH2-CD2 3.92Å; W21-Y46 HydrophobicContact CH2-CD2 3.92Å; W21-Y46 AromaticContact CH2-CE1 3.59Å; W21-Y46 HydrophobicContact CH2-CE1 3.59Å; W21-Y46 AromaticContact CH2-CE2 3.4Å; W21-Y46 HydrophobicContact CH2-CE2 3.4Å; W21-Y46 VanDerWaalsContact CH2-CE2 3.4Å; W21-Y46 HydrophobicContact CH2-CG 4.22Å; W21-Y46 AromaticContact CH2-CZ 3.25Å; W21-Y46 HydrophobicContact CZ2-CD1 4Å; W21-Y46 AromaticContact CZ2-CD2 3.92Å; W21-Y46 HydrophobicContact CZ2-CD2 3.92Å; W21-Y46 HydrophobicContact CZ2-CE1 4.01Å; W21-Y46 AromaticContact CZ2-CE2 3.91Å; W21-Y46 HydrophobicContact CZ2-CE2 3.91Å; W21-Y46 AromaticContact CZ2-CG 3.97Å; W21-Y46 HydrophobicContact CZ2-CG 3.97Å; W21-Y46 AromaticContact CZ2-CZ 3.98Å; W21-Y46 HydrophobicContact CZ3-CE2 4.28Å
22G80.4Confident86.9Confident94 Ų9463.9 Ų63.997%0.96933%0.328SS*.THydrogen-bonded Turntrans73.5-2.9-175.200000115.4
23K87.4Confident86.7Confident98 Ų9867 Ų6743%0.42635%0.347SS..SBendtrans-105.1153.8176.7-61-176.9-174171.50112.1E19 S20 W21 V25 F28E19-K23 WeakPolarHBondContact O-CD 3.22Å; E19-K23 WeakPolarHBondContact O-CE 3.49Å; E19-K23 PolarHBondContact O-NZ 3.46Å; E19-K23 IonicContact OE1-NZ 2.95Å; S20-K23 PolarHBondContact O-N 3.4Å; W21-K23 PolarHBondContact O-N 3.04Å; K23-V25 PolarHBondContact O-N 3.39Å; K23-F28 HydrophobicContact CB-CB 4.46Å; K23-F28 HydrophobicContact CD-CD2 3.78Å; K23-F28 HydrophobicContact CD-CE2 4.35Å
24N86.1Confident86.5Confident111 Ų11166.4 Ų66.459%0.59435%0.345SS*.  trans-66115.2167.5-176-50.3000109.3V26 Q27 F28N24-V26 VanDerWaalsContact C-N 3.28Å; N24-V26 PolarHBondContact O-N 3.25Å; N24-V26 WeakPolarHBondContact OD1-CB 3.43Å; N24-V26 PolarHBondContact OD1-N 2.68Å; N24-Q27 HydrophobicContact CB-CB 4.18Å; N24-Q27 PolarHBondContact O-N 2.89Å; N24-Q27 PolarHBondContact OD1-N 2.96Å; N24-F28 WeakPolarHBondContact O-CB 3.3Å; N24-F28 PolarHBondContact O-N 2.87Å
25V82.6Confident86.3Confident24 Ų2469.4 Ų69.415%0.14536%0.363CS..Hα-helixtrans-61-36.6-172.2-168.40000112.2K23 C29 V39K23-V25 PolarHBondContact O-N 3.39Å; V25-C29 VanDerWaalsContact O-CB 3.27Å; V25-C29 WeakPolarHBondContact O-CB 3.3Å; V25-C29 PolarHBondContact O-N 3.4Å; V25-C29 PolarHBondContact O-SG 3.19Å; V25-V39 HydrophobicContact CG1-CG1 4.25Å
26V82.5Confident86.1Confident74 Ų7470.1 Ų70.145%0.44836%0.359SS..Hα-helixtrans-67.6-44.6-179.3178.90000110.3N24 C29 K30N24-V26 VanDerWaalsContact C-N 3.28Å; N24-V26 PolarHBondContact O-N 3.25Å; N24-V26 WeakPolarHBondContact OD1-CB 3.43Å; N24-V26 PolarHBondContact OD1-N 2.68Å; V26-C29 PolarHBondContact O-N 2.97Å; V26-K30 WeakPolarHBondContact O-CG 3.13Å; V26-K30 PolarHBondContact O-N 3.39Å
27Q83.6Confident85.8Confident97 Ų9779.7 Ų79.745%0.45339%0.394SS..Hα-helixtrans-66.9-45.3177.7-173.463.513.600111.4N24 C29 K30 E31N24-Q27 HydrophobicContact CB-CB 4.18Å; N24-Q27 PolarHBondContact O-N 2.89Å; N24-Q27 PolarHBondContact OD1-N 2.96Å; Q27-C29 VanDerWaalsContact C-N 3.33Å; Q27-C29 PolarHBondContact O-N 3.48Å; Q27-K30 WeakPolarHBondContact O-CB 3.41Å; Q27-K30 PolarHBondContact O-N 2.88Å; Q27-K30 VanDerWaalsContact O-N 3.15Å; Q27-E31 PolarHBondContact NE2-OE1 3.48Å; Q27-E31 WeakPolarHBondContact O-CG 3.25Å; Q27-E31 PolarHBondContact O-N 3.27Å
28F88Confident85.6Confident2 Ų282.1 Ų82.11%0.00941%0.407CS..Hα-helixtrans-59.1-41.4176.2175.9-98.4000112.6I16 E19 K23 N24 E31 K32I16-F28 HydrophobicContact CD1-CZ 4.45Å; I16-F28 HydrophobicContact CG2-CE1 3.95Å; I16-F28 HydrophobicContact CG2-CZ 4.26Å; E19-F28 HydrophobicContact CB-CE2 4.14Å; E19-F28 HydrophobicContact CB-CZ 4.11Å; E19-F28 HydrophobicContact CG-CE2 3.97Å; E19-F28 HydrophobicContact CG-CZ 4.4Å; K23-F28 HydrophobicContact CB-CB 4.46Å; K23-F28 HydrophobicContact CD-CD2 3.78Å; K23-F28 HydrophobicContact CD-CE2 4.35Å; N24-F28 WeakPolarHBondContact O-CB 3.3Å; N24-F28 PolarHBondContact O-N 2.87Å; F28-E31 PolarHBondContact O-N 3.39Å; F28-K32 HydrophobicContact CD2-CG 4.3Å; F28-K32 HydrophobicContact CE1-CG 4.28Å; F28-K32 HydrophobicContact CE2-CG 3.94Å; F28-K32 HydrophobicContact CZ-CG 3.94Å; F28-K32 WeakPolarHBondContact O-CB 3.4Å; F28-K32 WeakPolarHBondContact O-CG 3.43Å; F28-K32 PolarHBondContact O-N 2.73Å
29C87.4Confident85.3Confident6 Ų678.3 Ų78.34%0.04139%0.389CS..Hα-helixtrans-66.1-36.7177.1-71.80000112.3V25 V26 Q27 M33 L34V25-C29 VanDerWaalsContact O-CB 3.27Å; V25-C29 WeakPolarHBondContact O-CB 3.3Å; V25-C29 PolarHBondContact O-N 3.4Å; V25-C29 PolarHBondContact O-SG 3.19Å; V26-C29 PolarHBondContact O-N 2.97Å; Q27-C29 VanDerWaalsContact C-N 3.33Å; Q27-C29 PolarHBondContact O-N 3.48Å; C29-M33 WeakPolarHBondContact O-CA 3.12Å; C29-M33 PolarHBondContact O-N 3.46Å; C29-L34 WeakPolarHBondContact CB-O 3.5Å; C29-L34 PolarHBondContact O-N 2.98Å
30K85.4Confident85.2Confident147 Ų14779.6 Ų79.664%0.63940%0.396SS*.Hα-helixtrans-64.4-46.9173.8-73.6178.5179.8-178.70111.5V26 Q27 K32 M33V26-K30 WeakPolarHBondContact O-CG 3.13Å; V26-K30 PolarHBondContact O-N 3.39Å; Q27-K30 WeakPolarHBondContact O-CB 3.41Å; Q27-K30 PolarHBondContact O-N 2.88Å; Q27-K30 VanDerWaalsContact O-N 3.15Å; K30-K32 PolarHBondContact O-N 3.31Å; K30-M33 PolarHBondContact O-N 3.11Å
31E87Confident85Confident121 Ų12185.3 Ų85.357%0.56542%0.42SS*.Hα-helixtrans-61.5-43.5178.5-72.4169-170.100112.3Q27 F28 M33Q27-E31 PolarHBondContact NE2-OE1 3.48Å; Q27-E31 WeakPolarHBondContact O-CG 3.25Å; Q27-E31 PolarHBondContact O-N 3.27Å; F28-E31 PolarHBondContact O-N 3.39Å; E31-M33 VanDerWaalsContact C-N 3.3Å; E31-M33 PolarHBondContact O-N 3.37Å
32K83.2Confident85.1Confident79 Ų7979.7 Ų79.734%0.34340%0.399SS..THydrogen-bonded Turntrans-84.8-1.1-179.4-63.6-72.8176.7161.40113.7E19 F28 K30 L34E19-K32 WeakPolarHBondContact OE1-CE 3.23Å; E19-K32 IonicContact OE1-NZ 2.89Å; E19-K32 PolarHBondContact OE1-NZ 3.47Å; E19-K32 WeakPolarHBondContact OE2-CE 3.39Å; E19-K32 IonicContact OE2-NZ 2.65Å; E19-K32 PolarHBondContact OE2-NZ 2.85Å; F28-K32 HydrophobicContact CD2-CG 4.3Å; F28-K32 HydrophobicContact CE1-CG 4.28Å; F28-K32 HydrophobicContact CE2-CG 3.94Å; F28-K32 HydrophobicContact CZ-CG 3.94Å; F28-K32 WeakPolarHBondContact O-CB 3.4Å; F28-K32 WeakPolarHBondContact O-CG 3.43Å; F28-K32 PolarHBondContact O-N 2.73Å; K30-K32 PolarHBondContact O-N 3.31Å; K32-L34 HydrophobicContact CB-CD1 3.93Å; K32-L34 HydrophobicContact CB-CG 3.98Å; K32-L34 PolarHBondContact O-N 3.21Å
33M85.2Confident85.5Confident156 Ų15678.9 Ų78.977%0.76837%0.367SS*.THydrogen-bonded Turntrans50.941.8-173.5-57.7-175.2176.600113C29 K30 E31C29-M33 WeakPolarHBondContact O-CA 3.12Å; C29-M33 PolarHBondContact O-N 3.46Å; K30-M33 PolarHBondContact O-N 3.11Å; E31-M33 VanDerWaalsContact C-N 3.3Å; E31-M33 PolarHBondContact O-N 3.37Å
34L85.5Confident85.4Confident16 Ų1678.3 Ų78.38%0.08438%0.38CS..  trans-109.5150179.3-67.8176.8000110.6Y8 I16 C29 K32 V39 W42Y8-L34 HydrophobicContact CE1-CD2 4.02Å; Y8-L34 WeakPolarHBondContact OH-CD2 3.19Å; I16-L34 HydrophobicContact CD1-CD1 3.94Å; I16-L34 HydrophobicContact CG1-CD1 4.17Å; I16-L34 HydrophobicContact CG2-CD1 3.76Å; C29-L34 WeakPolarHBondContact CB-O 3.5Å; C29-L34 PolarHBondContact O-N 2.98Å; K32-L34 HydrophobicContact CB-CD1 3.93Å; K32-L34 HydrophobicContact CB-CG 3.98Å; K32-L34 PolarHBondContact O-N 3.21Å; L34-V39 HydrophobicContact CB-CG2 4.15Å; L34-V39 HydrophobicContact CD1-CG2 4.25Å; L34-W42 HydrophobicContact CD1-CZ3 4.48Å
35D84.3Confident85.4Confident101 Ų10176.4 Ų76.454%0.5437%0.368SS..  trans-73.6130.5175.2-172.8-50.8000110R37 L38 V39D35-R37 VanDerWaalsContact C-N 3.29Å; D35-R37 PolarHBondContact O-N 2.86Å; D35-R37 WeakPolarHBondContact OD1-CB 3.45Å; D35-R37 PolarHBondContact OD1-N 2.92Å; D35-L38 HydrophobicContact CB-CB 4.06Å; D35-L38 VanDerWaalsContact O-CB 3.23Å; D35-L38 WeakPolarHBondContact O-CB 3.49Å; D35-L38 PolarHBondContact O-N 2.89Å; D35-V39 PolarHBondContact O-N 3.28Å
36H84.1Confident85.6Confident61 Ų6178 Ų7828%0.28237%0.371SS..Hα-helixtrans-55.9-40.6179.9-179-98.2000113.3L38 V39 Q40H36-L38 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.46Å; H36-V39 PolarHBondContact O-N 3.27Å; H36-Q40 PolarHBondContact CE1-NE2 3.35Å; H36-Q40 WeakPolarHBondContact O-CG 3.2Å; H36-Q40 PolarHBondContact O-N 3.46Å; H36-Q40 VanDerWaalsContact O-N 3.09Å
37R84.2Confident85.7Confident205 Ų20579 Ų7977%0.77438%0.378SS*.Hα-helixtrans-66.1-31.3178.7-67.5179.3171168.1-2.3111.8D35 K41D35-R37 VanDerWaalsContact C-N 3.29Å; D35-R37 PolarHBondContact O-N 2.86Å; D35-R37 WeakPolarHBondContact OD1-CB 3.45Å; D35-R37 PolarHBondContact OD1-N 2.92Å; R37-K41 WeakPolarHBondContact O-CB 3.37Å; R37-K41 PolarHBondContact O-N 3.08Å
38L84.8Confident85.6Confident52 Ų5277.4 Ų77.427%0.27237%0.373SS..Hα-helixtrans-68.1-45.1178.8-168.581.9000111.2Y8 D35 H36 K41 W42Y8-L38 HydrophobicContact CD2-CD2 4.16Å; Y8-L38 HydrophobicContact CE2-CD2 3.67Å; D35-L38 HydrophobicContact CB-CB 4.06Å; D35-L38 VanDerWaalsContact O-CB 3.23Å; D35-L38 WeakPolarHBondContact O-CB 3.49Å; D35-L38 PolarHBondContact O-N 2.89Å; H36-L38 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.46Å; L38-K41 PolarHBondContact O-N 3.34Å; L38-W42 HydrophobicContact CD1-CZ2 3.87Å; L38-W42 HydrophobicContact CD2-CH2 3.31Å; L38-W42 HydrophobicContact CD2-CZ2 3.29Å; L38-W42 HydrophobicContact CD2-CZ3 4.08Å; L38-W42 HydrophobicContact CG-CD2 4.3Å; L38-W42 HydrophobicContact CG-CH2 3.86Å; L38-W42 HydrophobicContact CG-CZ2 3.39Å; L38-W42 HydrophobicContact CG-CZ3 4.45Å; L38-W42 VanDerWaalsContact O-CG 3.31Å; L38-W42 PolarHBondContact O-N 2.94Å
39V85.4Confident85.4Confident0 Ų077.3 Ų77.30%037%0.372CS..Hα-helixtrans-68.8-38.7179179.20000111.2I16 V25 L34 D35 H36 K41 W42 R43I16-V39 HydrophobicContact CG2-CG2 4.2Å; V25-V39 HydrophobicContact CG1-CG1 4.25Å; L34-V39 HydrophobicContact CB-CG2 4.15Å; L34-V39 HydrophobicContact CD1-CG2 4.25Å; D35-V39 PolarHBondContact O-N 3.28Å; H36-V39 PolarHBondContact O-N 3.27Å; V39-K41 VanDerWaalsContact C-N 3.35Å; V39-K41 PolarHBondContact O-N 3.41Å; V39-W42 PolarHBondContact O-N 2.86Å; V39-R43 WeakPolarHBondContact O-CG 3.31Å; V39-R43 PolarHBondContact O-N 3.36Å
40Q85.4Confident85.2Confident102 Ų10277.8 Ų77.848%0.47738%0.376SS..Hα-helixtrans-61-42.7172.7-75.1-173.5-37.200112.3H36 W42 R43 A44H36-Q40 PolarHBondContact CE1-NE2 3.35Å; H36-Q40 WeakPolarHBondContact O-CG 3.2Å; H36-Q40 PolarHBondContact O-N 3.46Å; H36-Q40 VanDerWaalsContact O-N 3.09Å; Q40-W42 PolarHBondContact O-N 3.3Å; Q40-R43 WeakPolarHBondContact O-CB 3.24Å; Q40-R43 PolarHBondContact O-N 3.24Å; Q40-A44 PolarHBondContact O-N 2.85Å; Q40-A44 VanDerWaalsContact O-N 3.13Å
41K85.6Confident84.9Confident120 Ų12076.6 Ų76.652%0.52237%0.372SS..Hα-helixtrans-60.7-44.8175-179.9173.8177.1169.90111.8R37 L38 V39 R43 A44 E45R37-K41 WeakPolarHBondContact O-CB 3.37Å; R37-K41 PolarHBondContact O-N 3.08Å; L38-K41 PolarHBondContact O-N 3.34Å; V39-K41 VanDerWaalsContact C-N 3.35Å; V39-K41 PolarHBondContact O-N 3.41Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-R43 PolarHBondContact O-N 3.35Å; K41-A44 PolarHBondContact O-N 2.91Å; K41-E45 WeakPolarHBondContact CE-OE1 3.37Å; K41-E45 IonicContact NZ-OE1 3.45Å; K41-E45 PolarHBondContact O-N 2.92Å; K41-E45 VanDerWaalsContact O-N 3.07Å
42W89.8Confident84.4Confident8 Ų873 Ų733%0.0336%0.355CS..Hα-helixtrans-66.9-32.9179-61-19.1000112.9Y8 Y12 K13 I16 V17 L34 L38 V39 Q40 E45 Y46 L49Y8-W42 HydrophobicContact CD1-CH2 4.32Å; Y8-W42 AromaticContact CD2-CH2 3.55Å; Y8-W42 HydrophobicContact CD2-CH2 3.55Å; Y8-W42 AromaticContact CD2-CZ2 3.61Å; Y8-W42 HydrophobicContact CD2-CZ2 3.61Å; Y8-W42 HydrophobicContact CE2-CH2 4.01Å; Y8-W42 HydrophobicContact CE2-CZ2 4.27Å; Y8-W42 AromaticContact CG-CH2 3.71Å; Y8-W42 HydrophobicContact CG-CH2 3.71Å; Y8-W42 HydrophobicContact CG-CZ2 4.04Å; Y12-W42 HydrophobicContact CE1-CH2 4.45Å; Y12-W42 HydrophobicContact CE1-CZ3 4.46Å; K13-W42 HydrophobicContact CB-CD2 3.88Å; K13-W42 HydrophobicContact CB-CE3 4.1Å; K13-W42 HydrophobicContact CB-CG 4.12Å; K13-W42 HydrophobicContact CD-CD2 4.26Å; K13-W42 HydrophobicContact CD-CG 4.41Å; K13-W42 HydrophobicContact CD-CZ2 4.11Å; K13-W42 HydrophobicContact CG-CD2 3.7Å; K13-W42 VanDerWaalsContact CG-CE2 3.46Å; K13-W42 HydrophobicContact CG-CE3 4.07Å; K13-W42 HydrophobicContact CG-CG 4.21Å; K13-W42 HydrophobicContact CG-CH2 4Å; K13-W42 HydrophobicContact CG-CZ2 3.62Å; K13-W42 HydrophobicContact CG-CZ3 4.21Å; I16-W42 HydrophobicContact CB-CE3 4.34Å; I16-W42 HydrophobicContact CB-CZ3 4.21Å; I16-W42 HydrophobicContact CG1-CZ3 4.48Å; I16-W42 HydrophobicContact CG2-CE3 4.02Å; I16-W42 HydrophobicContact CG2-CZ3 3.95Å; V17-W42 VanDerWaalsContact CG2-C 3.45Å; V17-W42 HydrophobicContact CG2-CB 3.45Å; V17-W42 VanDerWaalsContact CG2-CB 3.45Å; L34-W42 HydrophobicContact CD1-CZ3 4.48Å; L38-W42 HydrophobicContact CD1-CZ2 3.87Å; L38-W42 HydrophobicContact CD2-CH2 3.31Å; L38-W42 HydrophobicContact CD2-CZ2 3.29Å; L38-W42 HydrophobicContact CD2-CZ3 4.08Å; L38-W42 HydrophobicContact CG-CD2 4.3Å; L38-W42 HydrophobicContact CG-CH2 3.86Å; L38-W42 HydrophobicContact CG-CZ2 3.39Å; L38-W42 HydrophobicContact CG-CZ3 4.45Å; L38-W42 VanDerWaalsContact O-CG 3.31Å; L38-W42 PolarHBondContact O-N 2.94Å; V39-W42 PolarHBondContact O-N 2.86Å; Q40-W42 PolarHBondContact O-N 3.3Å; W42-E45 CarbonylContact O-C 3.48Å; W42-E45 PolarHBondContact O-N 3.26Å; W42-Y46 PolarHBondContact O-N 2.72Å; W42-Y46 VanDerWaalsContact O-N 3.11Å; W42-L49 HydrophobicContact CB-CD1 4.21Å
43R87.9Confident84.3Confident77 Ų7771.2 Ų71.229%0.29135%0.35SS..Hα-helixtrans-61.1-44.3171.3-78.9179172.5-159.2-0.5112V17 S20 V39 Q40 K41 E45 Y46V17-R43 HydrophobicContact CG1-CG 3.92Å; V17-R43 HydrophobicContact CG2-CG 4.25Å; S20-R43 VanDerWaalsContact C-NH2 3.27Å; S20-R43 VanDerWaalsContact CB-NH2 3.3Å; S20-R43 PolarHBondContact O-NH2 2.71Å; S20-R43 PolarHBondContact OG-NE 3.44Å; S20-R43 PolarHBondContact OG-NH2 2.83Å; V39-R43 WeakPolarHBondContact O-CG 3.31Å; V39-R43 PolarHBondContact O-N 3.36Å; Q40-R43 WeakPolarHBondContact O-CB 3.24Å; Q40-R43 PolarHBondContact O-N 3.24Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-R43 PolarHBondContact O-N 3.35Å; R43-E45 VanDerWaalsContact C-N 3.26Å; R43-E45 PolarHBondContact O-N 3.29Å; R43-Y46 WeakPolarHBondContact O-CB 3.34Å; R43-Y46 PolarHBondContact O-N 3.32Å
44A86.2Confident84Confident86 Ų8671.3 Ų71.371%0.71135%0.349SS*.Hα-helixtrans-64.8-31.4176.400000112.5Q40 K41Q40-A44 PolarHBondContact O-N 2.85Å; Q40-A44 VanDerWaalsContact O-N 3.13Å; K41-A44 PolarHBondContact O-N 2.91Å
45E85.9Confident83.4Confident71 Ų7173.7 Ų73.733%0.33237%0.367SS..THydrogen-bonded Turntrans-90.58.4179-67.2175.1176.500113.5K41 W42 R43 T47 N48 L49K41-E45 WeakPolarHBondContact CE-OE1 3.37Å; K41-E45 IonicContact NZ-OE1 3.45Å; K41-E45 PolarHBondContact O-N 2.92Å; K41-E45 VanDerWaalsContact O-N 3.07Å; W42-E45 CarbonylContact O-C 3.48Å; W42-E45 PolarHBondContact O-N 3.26Å; R43-E45 VanDerWaalsContact C-N 3.26Å; R43-E45 PolarHBondContact O-N 3.29Å; E45-T47 PolarHBondContact O-N 2.89Å; E45-N48 WeakPolarHBondContact O-CB 3.23Å; E45-N48 PolarHBondContact O-N 2.92Å; E45-L49 HydrophobicContact CB-CD1 4.5Å; E45-L49 HydrophobicContact CB-CG 4.39Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 3.44Å
46Y86.4Confident83Confident56 Ų5672.1 Ų72.122%0.2237%0.374CS..Hα-helixtrans-59-43-168.3176.6-99000114.8K14 V17 E18 W21 W42 R43 N48 L49 S50K14-Y46 HydrophobicContact CG-CE2 4.01Å; V17-Y46 HydrophobicContact CB-CD2 4.08Å; V17-Y46 HydrophobicContact CG1-CD2 3.48Å; V17-Y46 VanDerWaalsContact CG1-CD2 3.48Å; V17-Y46 HydrophobicContact CG1-CE2 4.23Å; V17-Y46 HydrophobicContact CG1-CG 4.1Å; E18-Y46 HydrophobicContact CG-CE2 3.97Å; E18-Y46 PolarHBondContact OE1-OH 3.46Å; W21-Y46 HydrophobicContact CH2-CD1 4.06Å; W21-Y46 AromaticContact CH2-CD2 3.92Å; W21-Y46 HydrophobicContact CH2-CD2 3.92Å; W21-Y46 AromaticContact CH2-CE1 3.59Å; W21-Y46 HydrophobicContact CH2-CE1 3.59Å; W21-Y46 AromaticContact CH2-CE2 3.4Å; W21-Y46 HydrophobicContact CH2-CE2 3.4Å; W21-Y46 VanDerWaalsContact CH2-CE2 3.4Å; W21-Y46 HydrophobicContact CH2-CG 4.22Å; W21-Y46 AromaticContact CH2-CZ 3.25Å; W21-Y46 HydrophobicContact CZ2-CD1 4Å; W21-Y46 AromaticContact CZ2-CD2 3.92Å; W21-Y46 HydrophobicContact CZ2-CD2 3.92Å; W21-Y46 HydrophobicContact CZ2-CE1 4.01Å; W21-Y46 AromaticContact CZ2-CE2 3.91Å; W21-Y46 HydrophobicContact CZ2-CE2 3.91Å; W21-Y46 AromaticContact CZ2-CG 3.97Å; W21-Y46 HydrophobicContact CZ2-CG 3.97Å; W21-Y46 AromaticContact CZ2-CZ 3.98Å; W21-Y46 HydrophobicContact CZ3-CE2 4.28Å; W42-Y46 PolarHBondContact O-N 2.72Å; W42-Y46 VanDerWaalsContact O-N 3.11Å; R43-Y46 WeakPolarHBondContact O-CB 3.34Å; R43-Y46 PolarHBondContact O-N 3.32Å; Y46-N48 VanDerWaalsContact C-N 3.35Å; Y46-N48 PolarHBondContact O-N 3.14Å; Y46-L49 PolarHBondContact O-N 3.38Å; Y46-S50 WeakPolarHBondContact CE1-OG 3.45Å; Y46-S50 VanDerWaalsContact CZ-OG 3.23Å; Y46-S50 WeakPolarHBondContact O-CB 3.49Å; Y46-S50 PolarHBondContact O-N 3.19Å; Y46-S50 PolarHBondContact O-OG 3.5Å
47T83.9Confident82.4Confident97 Ų9772.5 Ų72.560%0.59538%0.377SS*.Hα-helixtrans-59.2-48177.844.10000110.9E45 L49 S50 E51E45-T47 PolarHBondContact O-N 2.89Å; T47-L49 PolarHBondContact O-N 3.06Å; T47-S50 WeakPolarHBondContact O-CB 3.39Å; T47-S50 PolarHBondContact O-N 3.3Å; T47-S50 VanDerWaalsContact O-N 3.13Å; T47-E51 WeakPolarHBondContact O-CG 3.17Å; T47-E51 PolarHBondContact O-N 3.44Å
48N81.8Confident82.1Confident62 Ų6263.7 Ų63.733%0.33235%0.348SS..Hα-helixtrans-65.8-35.4177.4-175.5-75.7000112.9E45 Y46 S50 K52E45-N48 WeakPolarHBondContact O-CB 3.23Å; E45-N48 PolarHBondContact O-N 2.92Å; Y46-N48 VanDerWaalsContact C-N 3.35Å; Y46-N48 PolarHBondContact O-N 3.14Å; N48-S50 VanDerWaalsContact C-N 3.33Å; N48-K52 WeakPolarHBondContact O-CB 3.48Å; N48-K52 WeakPolarHBondContact O-CD 3.07Å; N48-K52 WeakPolarHBondContact O-CG 3.24Å; N48-K52 PolarHBondContact O-N 3.22Å; N48-K52 WeakPolarHBondContact OD1-CD 3.24Å; N48-K52 WeakPolarHBondContact OD1-CE 3.44Å; N48-K52 PolarHBondContact OD1-NZ 3.06Å
49L84.3Confident81.8Confident1 Ų169.8 Ų69.81%0.00537%0.373CS..Hα-helixtrans-65.6-37.8172.1-69172.8000111.3V10 K13 W42 E45 Y46 T47 V53V10-L49 HydrophobicContact CG1-CD2 3.8Å; K13-L49 HydrophobicContact CB-CD1 3.91Å; K13-L49 HydrophobicContact CB-CD2 4.17Å; K13-L49 HydrophobicContact CD-CD2 4.21Å; W42-L49 HydrophobicContact CB-CD1 4.21Å; E45-L49 HydrophobicContact CB-CD1 4.5Å; E45-L49 HydrophobicContact CB-CG 4.39Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 3.44Å; Y46-L49 PolarHBondContact O-N 3.38Å; T47-L49 PolarHBondContact O-N 3.06Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.32Å; L49-V53 VanDerWaalsContact O-N 3.15Å
50S82.4Confident81.3Confident15 Ų1575.7 Ų75.711%0.10540%0.398CS..Hα-helixtrans-70.1-50.6-179.4-62.30000112.3Y46 T47 N48 K52 V53 E54Y46-S50 WeakPolarHBondContact CE1-OG 3.45Å; Y46-S50 VanDerWaalsContact CZ-OG 3.23Å; Y46-S50 WeakPolarHBondContact O-CB 3.49Å; Y46-S50 PolarHBondContact O-N 3.19Å; Y46-S50 PolarHBondContact O-OG 3.5Å; T47-S50 WeakPolarHBondContact O-CB 3.39Å; T47-S50 PolarHBondContact O-N 3.3Å; T47-S50 VanDerWaalsContact O-N 3.13Å; N48-S50 VanDerWaalsContact C-N 3.33Å; S50-K52 PolarHBondContact O-N 2.98Å; S50-V53 PolarHBondContact O-N 3.34Å; S50-V53 VanDerWaalsContact O-N 3.1Å; S50-E54 PolarHBondContact O-N 2.95Å; S50-E54 VanDerWaalsContact O-N 3.08Å
51E80.6Confident80.5Confident123 Ų12378.3 Ų78.358%0.57540%0.404SS*.Hα-helixtrans-54.3-37.3174.5-71.2169.7-179.400111.8T47 E54 S55T47-E51 WeakPolarHBondContact O-CG 3.17Å; T47-E51 PolarHBondContact O-N 3.44Å; E51-E54 PolarHBondContact O-N 3.08Å; E51-S55 WeakPolarHBondContact O-CB 3.21Å; E51-S55 PolarHBondContact O-N 3.23Å
52K75.8Confident79.4Confident45 Ų4580 Ų8020%0.19641%0.411CS..Hα-helixtrans-77.5-26.8-178.6-74175-177.6170.10114.1V10 N48 S50 S55 M57 I63V10-K52 HydrophobicContact CG1-CB 4.25Å; N48-K52 WeakPolarHBondContact O-CB 3.48Å; N48-K52 WeakPolarHBondContact O-CD 3.07Å; N48-K52 WeakPolarHBondContact O-CG 3.24Å; N48-K52 PolarHBondContact O-N 3.22Å; N48-K52 WeakPolarHBondContact OD1-CD 3.24Å; N48-K52 WeakPolarHBondContact OD1-CE 3.44Å; N48-K52 PolarHBondContact OD1-NZ 3.06Å; S50-K52 PolarHBondContact O-N 2.98Å; K52-S55 WeakPolarHBondContact CA-OG 3.08Å; K52-S55 PolarHBondContact O-OG 3.32Å; K52-M57 WeakPolarHBondContact O-CA 3.46Å; K52-M57 WeakPolarHBondContact O-CB 3.26Å; K52-M57 PolarHBondContact O-N 3.04Å; K52-I63 HydrophobicContact CD-CD1 3.95Å; K52-I63 HydrophobicContact CD-CG2 4.27Å
53V81.3Confident77.5Confident41 Ų4182.7 Ų82.725%0.24843%0.425CS..Hα-helixtrans-69.5-43.2169.4169.30000109.3V10 K14 L49 S50 S55 G56 A58V10-V53 HydrophobicContact CG1-CG2 4.04Å; K14-V53 HydrophobicContact CD-CB 4.31Å; K14-V53 HydrophobicContact CD-CG2 3.88Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.32Å; L49-V53 VanDerWaalsContact O-N 3.15Å; S50-V53 PolarHBondContact O-N 3.34Å; S50-V53 VanDerWaalsContact O-N 3.1Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.03Å; V53-G56 PolarHBondContact O-N 3.37Å; V53-G56 VanDerWaalsContact O-N 3.15Å; V53-A58 HydrophobicContact CG2-CB 4.43Å
54E78.2Confident75.8Confident159 Ų15982.2 Ų82.274%0.74345%0.445SS*.Hα-helixtrans-63.8-35.4176-69.4171.2-167.700112.4S50 E51 G56S50-E54 PolarHBondContact O-N 2.95Å; S50-E54 VanDerWaalsContact O-N 3.08Å; E51-E54 PolarHBondContact O-N 3.08Å; E54-G56 PolarHBondContact O-N 3.33Å
55S72.7Confident73.7Confident66 Ų6683.2 Ų83.246%0.46245%0.445SS..THydrogen-bonded Turntrans-79.714.2175.384.50000114.4E51 K52 V53 M57E51-S55 WeakPolarHBondContact O-CB 3.21Å; E51-S55 PolarHBondContact O-N 3.23Å; K52-S55 WeakPolarHBondContact CA-OG 3.08Å; K52-S55 PolarHBondContact O-OG 3.32Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.03Å; S55-M57 PolarHBondContact O-N 2.53Å; S55-M57 WeakPolarHBondContact OG-CE 3.47Å
56G76.4Confident72Confident67 Ų6782.6 Ų82.669%0.69146%0.458SS*.THydrogen-bonded Turntrans77.213.1174.700000116.4V53 E54V53-G56 PolarHBondContact O-N 3.37Å; V53-G56 VanDerWaalsContact O-N 3.15Å; E54-G56 PolarHBondContact O-N 3.33Å
57M72.7Confident70.2Confident70 Ų7090.6 Ų90.635%0.34549%0.488SS..  trans-96.716-177.5-56.8-167.3-137.100114.4K52 S55 K59 K60K52-M57 WeakPolarHBondContact O-CA 3.46Å; K52-M57 WeakPolarHBondContact O-CB 3.26Å; K52-M57 PolarHBondContact O-N 3.04Å; S55-M57 PolarHBondContact O-N 2.53Å; S55-M57 WeakPolarHBondContact OG-CE 3.47Å; M57-K59 VanDerWaalsContact C-N 3.29Å; M57-K59 PolarHBondContact O-N 3.35Å; M57-K59 VanDerWaalsContact O-N 3.12Å; M57-K60 HydrophobicContact CB-CD 4.31Å; M57-K60 PolarHBondContact O-N 3.46Å; M57-K60 VanDerWaalsContact O-N 3.1Å; M57-K60 HydrophobicContact SD-CD 4.48Å
58A76.4Confident68.7Low20 Ų2092.4 Ų92.417%0.16549%0.49CS..THydrogen-bonded Turntrans-49.6-40.3-173.600000114.9V10 E11 V53 K60V10-A58 PolarHBondContact N-O 2.73Å; E11-A58 HydrophobicContact CB-CB 4.17Å; E11-A58 WeakPolarHBondContact CB-O 3.31Å; E11-A58 PolarHBondContact N-O 3.5Å; V53-A58 HydrophobicContact CG2-CB 4.43Å; A58-K60 PolarHBondContact O-N 2.88Å
59K79.4Confident67.6Low180 Ų18090.6 Ų90.678%0.78348%0.481SS*.THydrogen-bonded Turntrans-82.5-7.3-175.3-62.8-176.5-179178.40114.7T9 M57T9-K59 WeakPolarHBondContact CG2-O 3.41Å; M57-K59 VanDerWaalsContact C-N 3.29Å; M57-K59 PolarHBondContact O-N 3.35Å; M57-K59 VanDerWaalsContact O-N 3.12Å
60K74.6Confident66.7Low123 Ų12397.5 Ų97.554%0.53552%0.515SS..  trans-73.3141.3-177.5-68.2-169177.2179.10111.4T9 V10 M57 A58T9-K60 CarbonylContact C-O 3.54Å; T9-K60 VanDerWaalsContact CA-O 3.29Å; T9-K60 WeakPolarHBondContact CA-O 3.36Å; V10-K60 HydrophobicContact CG2-CB 4.4Å; V10-K60 VanDerWaalsContact CG2-O 3.28Å; V10-K60 WeakPolarHBondContact CG2-O 3.36Å; V10-K60 PolarHBondContact N-O 3.42Å; M57-K60 HydrophobicContact CB-CD 4.31Å; M57-K60 PolarHBondContact O-N 3.46Å; M57-K60 VanDerWaalsContact O-N 3.1Å; M57-K60 HydrophobicContact SD-CD 4.48Å; A58-K60 PolarHBondContact O-N 2.88Å
61R68.6Low66.4Low157 Ų15798.7 Ų98.759%0.59252%0.518SS*.SBendtrans-101.4-26.7-178.1-63.5-178-177.2171-0.3114.6S7 Y8 T9 K13S7-R61 WeakPolarHBondContact OG-CB 3.15Å; Y8-R61 WeakPolarHBondContact O-CA 3.41Å; T9-R61 HydrophobicContact CG2-CG 3.67Å; K13-R61 PolarHBondContact NZ-O 2.8Å
62K61.4Low66.1Low156 Ų15696.2 Ų96.268%0.67851%0.511SS*.SBendtrans-128.4139.7170.8-77.1-176.2177.2179.70108.7
63I51.5Low66.1Low64 Ų64100.9 Ų100.933%0.32853%0.533SS..SBendtrans-114.8128.8-177.8-52.7162.1000107.2V10 K52 C65V10-I63 HydrophobicContact CG2-CD1 3.81Å; V10-I63 HydrophobicContact CG2-CG1 4.03Å; K52-I63 HydrophobicContact CD-CD1 3.95Å; K52-I63 HydrophobicContact CD-CG2 4.27Å; I63-C65 PolarHBondContact O-N 3.4Å
64G52.5Low66.1Low68 Ų6899 Ų9970%0.70152%0.522SS*.SBendtrans7614.8169.700000117.7
65C40.2Very low66.3Low106 Ų10691.8 Ų91.872%0.71649%0.488SS*.  trans-113.240.3178.2-62.50000113.5I63I63-C65 PolarHBondContact O-N 3.4Å
66G51.7Low66.5Low59 Ų5991.5 Ų91.561%0.60849%0.487SS*.SBendtrans-71.1149.315500000108.8Q68G66-Q68 PolarHBondContact O-N 2.98Å; G66-Q68 VanDerWaalsContact O-N 3.1Å
67R48.8Very low66.6Low224 Ų22490.2 Ų90.285%0.84546%0.463SS*.PPolyproline II helixtrans-57.8118.1164.8-173.6175-177.1168.70.2106.5
68Q50.7Low67Low135 Ų13586.9 Ų86.963%0.63145%0.447SS*.PPolyproline II helixtrans-56.7143.6174.3-69.4-66.8-31.400108.4G66 M70G66-Q68 PolarHBondContact O-N 2.98Å; G66-Q68 VanDerWaalsContact O-N 3.1Å; Q68-M70 PolarHBondContact O-N 2.88Å
69P58.9Low67Low23 Ų2387.4 Ų87.415%0.14945%0.45CS..PPolyproline II helixtrans-50.8135.2171.6-19.829.6000109.1Y71 T72 E75P69-Y71 PolarHBondContact O-N 2.99Å; P69-T72 PolarHBondContact O-OG1 2.85Å; P69-E75 HydrophobicContact CB-CG 4.41Å; P69-E75 WeakPolarHBondContact CB-OE2 3.31Å; P69-E75 WeakPolarHBondContact CG-OE2 3.48Å
70M65.3Low66.7Low146 Ų14685.3 Ų85.372%0.71944%0.443SS*.THydrogen-bonded Turntrans-62.6-22.2174.7-170.8166172.800111.2Q68Q68-M70 PolarHBondContact O-N 2.88Å
71Y76.4Confident67.2Low40 Ų4080.6 Ų80.616%0.15742%0.421CS..THydrogen-bonded Turntrans-133.670.1-178.5-51.8-74.4000110.7P69 E73 L74 E75 I110 Q114 F115P69-Y71 PolarHBondContact O-N 2.99Å; Y71-E73 VanDerWaalsContact C-N 3.32Å; Y71-E73 PolarHBondContact O-N 2.58Å; Y71-L74 HydrophobicContact CG-CD2 4.48Å; Y71-L74 PolarHBondContact O-N 3.27Å; Y71-E75 PolarHBondContact O-N 3.06Å; Y71-I110 HydrophobicContact CD1-CD1 3.34Å; Y71-I110 HydrophobicContact CD1-CG1 4.12Å; Y71-I110 HydrophobicContact CE1-CD1 3.72Å; Y71-I110 HydrophobicContact CE1-CG1 4.03Å; Y71-I110 HydrophobicContact CE1-CG2 4Å; Y71-I110 HydrophobicContact CG-CD1 4.12Å; Y71-Q114 PolarHBondContact OH-O 3.04Å; Y71-F115 AromaticContact CD2-CD2 3.55Å; Y71-F115 HydrophobicContact CD2-CD2 3.55Å; Y71-F115 HydrophobicContact CD2-CE2 4.08Å; Y71-F115 HydrophobicContact CE2-CB 4.24Å; Y71-F115 AromaticContact CE2-CD2 3.6Å; Y71-F115 HydrophobicContact CE2-CD2 3.6Å; Y71-F115 HydrophobicContact CE2-CE2 4.5Å; Y71-F115 HydrophobicContact CE2-CG 4.4Å; Y71-F115 HydrophobicContact CG-CD2 4.39Å
72T75.6Confident67.4Low71 Ų7173.6 Ų73.644%0.43640%0.396SS..Hα-helixtrans-61.2-38.1-176.3-51.70000113P69 S76P69-T72 PolarHBondContact O-OG1 2.85Å; T72-S76 WeakPolarHBondContact O-CB 3.45Å; T72-S76 PolarHBondContact O-N 3.16Å; T72-S76 PolarHBondContact O-OG 3.13Å
73E74.6Confident67.6Low143 Ų14369.1 Ų69.167%0.66839%0.388SS*.Hα-helixtrans-70.3-42-179.8-61.2-179.2173.900111.7Y71 S76 L77 F108Y71-E73 VanDerWaalsContact C-N 3.32Å; Y71-E73 PolarHBondContact O-N 2.58Å; E73-S76 PolarHBondContact O-N 3.47Å; E73-L77 PolarHBondContact O-N 3.21Å; E73-F108 HydrophobicContact CB-CD1 3.94Å; E73-F108 HydrophobicContact CB-CE1 3.63Å
74L80.4Confident68.2Low1 Ų169.3 Ų69.31%0.00539%0.39CS..Hα-helixtrans-60.2-48.1172.417863.8000111.5Y71 S76 L77 V78 V104 L105 F108 F115Y71-L74 HydrophobicContact CG-CD2 4.48Å; Y71-L74 PolarHBondContact O-N 3.27Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.34Å; L74-L77 PolarHBondContact O-N 2.83Å; L74-V78 HydrophobicContact CD1-CG2 4.28Å; L74-V78 VanDerWaalsContact O-CG2 3.24Å; L74-V78 WeakPolarHBondContact O-CG2 3.38Å; L74-V78 PolarHBondContact O-N 3.16Å; L74-V104 HydrophobicContact CD1-CG2 3.48Å; L74-V104 VanDerWaalsContact CD1-CG2 3.48Å; L74-L105 HydrophobicContact CD2-CD2 3.98Å; L74-F108 HydrophobicContact CB-CD2 4.37Å; L74-F108 HydrophobicContact CB-CE2 4.32Å; L74-F108 HydrophobicContact CD1-CD2 3.99Å; L74-F108 HydrophobicContact CD1-CE2 3.81Å; L74-F115 HydrophobicContact CD2-CD1 4.27Å; L74-F115 HydrophobicContact CD2-CD2 3.96Å; L74-F115 HydrophobicContact CD2-CE1 3.96Å; L74-F115 HydrophobicContact CD2-CE2 3.68Å; L74-F115 HydrophobicContact CD2-CG 4.23Å; L74-F115 HydrophobicContact CD2-CZ 3.65Å
75E83.5Confident69.2Low8 Ų869.4 Ų69.44%0.03737%0.369CS..Hα-helixtrans-63.9-34.7178.2-75.4-169.1-169.800112.3P69 Y71 S79 W121 F125 R128P69-E75 HydrophobicContact CB-CG 4.41Å; P69-E75 WeakPolarHBondContact CB-OE2 3.31Å; P69-E75 WeakPolarHBondContact CG-OE2 3.48Å; Y71-E75 PolarHBondContact O-N 3.06Å; E75-S79 VanDerWaalsContact O-CB 3.23Å; E75-S79 WeakPolarHBondContact O-CB 3.32Å; E75-S79 PolarHBondContact O-N 3.35Å; E75-W121 HydrophobicContact CG-CZ2 4.04Å; E75-W121 PolarHBondContact OE1-NE1 3.25Å; E75-F125 HydrophobicContact CB-CD2 4.18Å; E75-F125 HydrophobicContact CB-CE2 4.43Å; E75-F125 HydrophobicContact CG-CD2 3.96Å; E75-R128 IonicContact OE1-CZ 3.44Å; E75-R128 IonicContact OE1-NE 3.68Å; E75-R128 IonicContact OE1-NH2 3.62Å; E75-R128 PolarHBondContact OE1-NH2 3.45Å; E75-R128 IonicContact OE2-CZ 3.57Å; E75-R128 IonicContact OE2-NE 2.73Å; E75-R128 PolarHBondContact OE2-NE 2.79Å; E75-R128 IonicContact OE2-NH2 2.84Å; E75-R128 PolarHBondContact OE2-NH2 3.39Å
76S76.4Confident70.9Confident61 Ų6170.4 Ų70.443%0.42736%0.358SS..Hα-helixtrans-63.8-47.8175.3-58.20000111.1T72 E73 L74 V78 S79 E80T72-S76 WeakPolarHBondContact O-CB 3.45Å; T72-S76 PolarHBondContact O-N 3.16Å; T72-S76 PolarHBondContact O-OG 3.13Å; E73-S76 PolarHBondContact O-N 3.47Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.34Å; S76-V78 PolarHBondContact O-N 3.39Å; S76-S79 WeakPolarHBondContact O-CB 3.47Å; S76-S79 PolarHBondContact O-N 3Å; S76-E80 WeakPolarHBondContact O-CG 3.3Å; S76-E80 PolarHBondContact O-N 3.27Å
77L78.6Confident71.1Confident39 Ų3970 Ų7020%0.20435%0.349CS..Hα-helixtrans-62.9-42.5177.6-176.566.5000112.3E73 L74 S79 E80 W81 V104 F108E73-L77 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 2.83Å; L77-S79 VanDerWaalsContact C-N 3.34Å; L77-E80 PolarHBondContact O-N 2.94Å; L77-W81 WeakPolarHBondContact O-CB 3.46Å; L77-W81 PolarHBondContact O-N 3.28Å; L77-V104 HydrophobicContact CD2-CB 3.79Å; L77-V104 HydrophobicContact CD2-CG1 3.98Å; L77-V104 HydrophobicContact CD2-CG2 3.88Å; L77-F108 HydrophobicContact CB-CZ 4.02Å; L77-F108 HydrophobicContact CD2-CE2 3.71Å; L77-F108 HydrophobicContact CD2-CZ 3.67Å; L77-F108 HydrophobicContact CG-CZ 4.48Å
78V80.9Confident71.6Confident0 Ų064.3 Ų64.30%033%0.33CS..Hα-helixtrans-64.5-40.3176.6175.90000110.6L74 S76 W81 V82 I97 Y100 A101 W121 F125L74-V78 HydrophobicContact CD1-CG2 4.28Å; L74-V78 VanDerWaalsContact O-CG2 3.24Å; L74-V78 WeakPolarHBondContact O-CG2 3.38Å; L74-V78 PolarHBondContact O-N 3.16Å; S76-V78 PolarHBondContact O-N 3.39Å; V78-W81 PolarHBondContact O-N 3.12Å; V78-V82 WeakPolarHBondContact O-CG2 3.35Å; V78-V82 PolarHBondContact O-N 3.14Å; V78-I97 HydrophobicContact CG1-CG2 3.84Å; V78-Y100 HydrophobicContact CG2-CD1 4.16Å; V78-Y100 HydrophobicContact CG2-CE1 4.5Å; V78-A101 HydrophobicContact CG2-CB 3.96Å; V78-W121 HydrophobicContact CG1-CH2 4.37Å; V78-W121 HydrophobicContact CG2-CH2 4.43Å; V78-F125 HydrophobicContact CB-CE2 4.2Å; V78-F125 HydrophobicContact CB-CZ 4.3Å; V78-F125 HydrophobicContact CG1-CE1 4.14Å; V78-F125 HydrophobicContact CG1-CE2 3.98Å; V78-F125 HydrophobicContact CG1-CZ 3.67Å
79S76.9Confident72.4Confident32 Ų3263.8 Ų63.822%0.22434%0.337CS..Hα-helixtrans-63.6-44.2176.8-165.80000112.2E75 S76 L77 W81 V82 A83 N129E75-S79 VanDerWaalsContact O-CB 3.23Å; E75-S79 WeakPolarHBondContact O-CB 3.32Å; E75-S79 PolarHBondContact O-N 3.35Å; S76-S79 WeakPolarHBondContact O-CB 3.47Å; S76-S79 PolarHBondContact O-N 3Å; L77-S79 VanDerWaalsContact C-N 3.34Å; S79-W81 VanDerWaalsContact C-N 3.33Å; S79-W81 PolarHBondContact O-N 3.39Å; S79-V82 PolarHBondContact O-N 3.37Å; S79-A83 PolarHBondContact O-N 3.09Å; S79-N129 WeakPolarHBondContact CB-OD1 3.35Å; S79-N129 PolarHBondContact OG-OD1 2.82Å
80E73.3Confident72.6Confident135 Ų13566.7 Ų66.763%0.63135%0.351SS*.Hα-helixtrans-60.1-42173.4-74.5-177.1-176.700112S76 L77 A83 D84S76-E80 WeakPolarHBondContact O-CG 3.3Å; S76-E80 PolarHBondContact O-N 3.27Å; L77-E80 PolarHBondContact O-N 2.94Å; E80-A83 WeakPolarHBondContact O-CB 3.21Å; E80-A83 PolarHBondContact O-N 2.9Å; E80-D84 PolarHBondContact O-N 3.38Å
81W85Confident73.1Confident24 Ų2463.8 Ų63.89%0.09134%0.341CS..Hα-helixtrans-64.8-40.7175.9173.391.9000112.8L77 V78 S79 A83 D84 R85 V92 E96 I97 Y100L77-W81 WeakPolarHBondContact O-CB 3.46Å; L77-W81 PolarHBondContact O-N 3.28Å; V78-W81 PolarHBondContact O-N 3.12Å; S79-W81 VanDerWaalsContact C-N 3.33Å; S79-W81 PolarHBondContact O-N 3.39Å; W81-A83 VanDerWaalsContact C-N 3.31Å; W81-A83 PolarHBondContact O-N 2.92Å; W81-D84 PolarHBondContact O-N 2.83Å; W81-R85 HydrophobicContact CD2-CG 4.14Å; W81-R85 HydrophobicContact CH2-CG 4.34Å; W81-R85 HydrophobicContact CZ2-CG 4.01Å; W81-R85 WeakPolarHBondContact O-CG 3.36Å; W81-R85 PolarHBondContact O-N 3.44Å; W81-V92 HydrophobicContact CH2-CG1 4.1Å; W81-V92 HydrophobicContact CZ3-CG1 3.71Å; W81-E96 HydrophobicContact CH2-CB 3.78Å; W81-I97 HydrophobicContact CZ3-CG1 4Å; W81-Y100 HydrophobicContact CB-CD1 3.82Å; W81-Y100 HydrophobicContact CB-CE1 3.24Å; W81-Y100 HydrophobicContact CB-CE2 4.44Å; W81-Y100 AromaticContact CD1-CD1 3.96Å; W81-Y100 AromaticContact CD1-CD2 3.58Å; W81-Y100 AromaticContact CD1-CE1 3.63Å; W81-Y100 AromaticContact CD1-CE2 3.21Å; W81-Y100 AromaticContact CD1-CG 3.93Å; W81-Y100 AromaticContact CD1-CZ 3.22Å; W81-Y100 AromaticContact CD2-CD1 3.58Å; W81-Y100 HydrophobicContact CD2-CD1 3.58Å; W81-Y100 HydrophobicContact CD2-CD2 4.04Å; W81-Y100 AromaticContact CD2-CE1 3.91Å; W81-Y100 HydrophobicContact CD2-CE1 3.91Å; W81-Y100 HydrophobicContact CD2-CE2 4.34Å; W81-Y100 AromaticContact CD2-CG 3.64Å; W81-Y100 HydrophobicContact CD2-CG 3.64Å; W81-Y100 AromaticContact CE2-CD2 3.64Å; W81-Y100 AromaticContact CE2-CG 3.58Å; W81-Y100 AromaticContact CE3-CD1 3.96Å; W81-Y100 HydrophobicContact CE3-CD1 3.96Å; W81-Y100 HydrophobicContact CE3-CG 4.16Å; W81-Y100 AromaticContact CG-CD1 3.52Å; W81-Y100 HydrophobicContact CG-CD1 3.52Å; W81-Y100 AromaticContact CG-CD2 3.99Å; W81-Y100 HydrophobicContact CG-CD2 3.99Å; W81-Y100 AromaticContact CG-CE1 3.3Å; W81-Y100 HydrophobicContact CG-CE1 3.3Å; W81-Y100 AromaticContact CG-CE2 3.79Å; W81-Y100 HydrophobicContact CG-CE2 3.79Å; W81-Y100 AromaticContact CG-CG 3.85Å; W81-Y100 HydrophobicContact CG-CG 3.85Å; W81-Y100 AromaticContact CG-CZ 3.43Å; W81-Y100 VanDerWaalsContact CG-CZ 3.43Å; W81-Y100 HydrophobicContact CZ2-CD2 4.23Å; W81-Y100 HydrophobicContact CZ2-CG 4.05Å; W81-Y100 AromaticContact NE1-CD2 3.3Å; W81-Y100 VanDerWaalsContact NE1-CD2 3.3Å; W81-Y100 AromaticContact NE1-CE2 3.39Å; W81-Y100 AromaticContact NE1-CG 3.73Å; W81-Y100 AromaticContact NE1-CZ 3.89Å
82V73Confident73.1Confident11 Ų1163.3 Ų63.37%0.06734%0.342CS..Hα-helixtrans-60.5-45.2172.9173.60000109.7V78 S79 D84 R85 R86 V92 I97 F125 L131V78-V82 WeakPolarHBondContact O-CG2 3.35Å; V78-V82 PolarHBondContact O-N 3.14Å; S79-V82 PolarHBondContact O-N 3.37Å; V82-D84 PolarHBondContact O-N 3.5Å; V82-R85 PolarHBondContact O-N 2.82Å; V82-R86 HydrophobicContact CG1-CG 4.27Å; V82-R86 WeakPolarHBondContact O-CB 3.35Å; V82-R86 VanDerWaalsContact O-CG 3.28Å; V82-R86 WeakPolarHBondContact O-CG 3.03Å; V82-R86 PolarHBondContact O-N 2.94Å; V82-V92 HydrophobicContact CG1-CG1 4.45Å; V82-V92 HydrophobicContact CG2-CG1 4.19Å; V82-I97 HydrophobicContact CG2-CD1 4.18Å; V82-I97 HydrophobicContact CG2-CG1 4.01Å; V82-F125 HydrophobicContact CG2-CE1 4.39Å; V82-F125 HydrophobicContact CG2-CZ 4.35Å; V82-L131 HydrophobicContact CG1-CD1 4.13Å
83A64.4Low73.5Confident62 Ų6262.8 Ų62.851%0.51234%0.339SS..Hα-helixtrans-61.1-42.117800000112.2S79 E80 W81 R86 A87S79-A83 PolarHBondContact O-N 3.09Å; E80-A83 WeakPolarHBondContact O-CB 3.21Å; E80-A83 PolarHBondContact O-N 2.9Å; W81-A83 VanDerWaalsContact C-N 3.31Å; W81-A83 PolarHBondContact O-N 2.92Å; A83-R86 PolarHBondContact O-N 3.5Å; A83-A87 WeakPolarHBondContact O-CB 3.38Å; A83-A87 PolarHBondContact O-N 2.86Å
84D64.2Low74Confident68 Ų6858 Ų5836%0.36432%0.315SS..Hα-helixtrans-63.2-47176.2176.658.6000112.2E80 W81 V82 R86 A87 K88E80-D84 PolarHBondContact O-N 3.38Å; W81-D84 PolarHBondContact O-N 2.83Å; V82-D84 PolarHBondContact O-N 3.5Å; D84-R86 VanDerWaalsContact C-N 3.33Å; D84-R86 PolarHBondContact O-N 3.46Å; D84-A87 PolarHBondContact O-N 3.22Å; D84-K88 VanDerWaalsContact CG-NZ 3.27Å; D84-K88 WeakPolarHBondContact O-CG 3.39Å; D84-K88 PolarHBondContact O-N 2.85Å; D84-K88 VanDerWaalsContact OD1-CE 3.26Å; D84-K88 WeakPolarHBondContact OD1-CE 3.26Å; D84-K88 IonicContact OD1-NZ 2.94Å; D84-K88 PolarHBondContact OD1-NZ 3.46Å; D84-K88 IonicContact OD2-NZ 2.73Å; D84-K88 PolarHBondContact OD2-NZ 2.93Å
85R74.3Confident74.2Confident69 Ų6960.8 Ų60.826%0.2634%0.337SS..Hα-helixtrans-59.5-43.8175.4-73-82.5-175.7113.6-6.5111.4W81 V82 K88 T89 L90 V92 E96W81-R85 HydrophobicContact CD2-CG 4.14Å; W81-R85 HydrophobicContact CH2-CG 4.34Å; W81-R85 HydrophobicContact CZ2-CG 4.01Å; W81-R85 WeakPolarHBondContact O-CG 3.36Å; W81-R85 PolarHBondContact O-N 3.44Å; V82-R85 PolarHBondContact O-N 2.82Å; R85-K88 PolarHBondContact O-N 2.92Å; R85-T89 PolarHBondContact O-N 3.34Å; R85-L90 WeakPolarHBondContact O-CB 3.49Å; R85-L90 PolarHBondContact O-N 2.76Å; R85-V92 HydrophobicContact CB-CG2 3.3Å; R85-V92 HydrophobicContact CG-CG2 4.05Å; R85-E96 IonicContact NH1-OE1 3.95Å; R85-E96 PolarHBondContact NH1-OE1 3.47Å
86R75.6Confident74.3Confident128 Ų12862.9 Ų62.948%0.48335%0.347SS..Hα-helixtrans-70.2-34178.7-68.5-53.9-57.8164-4.3112.9V82 A83 D84 K88 T89 L90 V92V82-R86 HydrophobicContact CG1-CG 4.27Å; V82-R86 WeakPolarHBondContact O-CB 3.35Å; V82-R86 VanDerWaalsContact O-CG 3.28Å; V82-R86 WeakPolarHBondContact O-CG 3.03Å; V82-R86 PolarHBondContact O-N 2.94Å; A83-R86 PolarHBondContact O-N 3.5Å; D84-R86 VanDerWaalsContact C-N 3.33Å; D84-R86 PolarHBondContact O-N 3.46Å; R86-K88 PolarHBondContact O-N 3.03Å; R86-T89 WeakPolarHBondContact O-CA 3.44Å; R86-T89 PolarHBondContact O-N 3.13Å; R86-L90 WeakPolarHBondContact CD-O 3.36Å; R86-L90 PolarHBondContact NH1-O 3.41Å; R86-V92 HydrophobicContact CG-CG2 4.23Å
87A55.9Low74.7Confident51 Ų5160.3 Ų60.342%0.42133%0.329SS..Hα-helixtrans-61.9-30.2172.100000112.2A83 D84 T89A83-A87 WeakPolarHBondContact O-CB 3.38Å; A83-A87 PolarHBondContact O-N 2.86Å; D84-A87 PolarHBondContact O-N 3.22Å; A87-T89 PolarHBondContact O-N 3.47Å
88K59.7Low75.3Confident103 Ų10360.4 Ų60.445%0.44833%0.328SS..THydrogen-bonded Turntrans-83.18.7173-65.7165.5-176.9162.80113.4D84 R85 R86 L90D84-K88 VanDerWaalsContact CG-NZ 3.27Å; D84-K88 WeakPolarHBondContact O-CG 3.39Å; D84-K88 PolarHBondContact O-N 2.85Å; D84-K88 VanDerWaalsContact OD1-CE 3.26Å; D84-K88 WeakPolarHBondContact OD1-CE 3.26Å; D84-K88 IonicContact OD1-NZ 2.94Å; D84-K88 PolarHBondContact OD1-NZ 3.46Å; D84-K88 IonicContact OD2-NZ 2.73Å; D84-K88 PolarHBondContact OD2-NZ 2.93Å; R85-K88 PolarHBondContact O-N 2.92Å; R86-K88 PolarHBondContact O-N 3.03Å; K88-L90 HydrophobicContact CB-CD1 3.95Å; K88-L90 HydrophobicContact CB-CG 3.89Å; K88-L90 HydrophobicContact CD-CD1 4.38Å; K88-L90 PolarHBondContact O-N 2.9Å; K88-L90 VanDerWaalsContact O-N 3.1Å
89T66.8Low75.5Confident125 Ų12567.1 Ų67.177%0.76736%0.359SS*.THydrogen-bonded Turntrans57.817.4-174.663.90000114.5R85 R86 A87R85-T89 PolarHBondContact O-N 3.34Å; R86-T89 WeakPolarHBondContact O-CA 3.44Å; R86-T89 PolarHBondContact O-N 3.13Å; A87-T89 PolarHBondContact O-N 3.47Å
90L64.4Low75.9Confident84 Ų8468.4 Ų68.444%0.4436%0.36SS..  trans-78.2143.6179.6-60.2173.8000109.9R85 R86 K88R85-L90 WeakPolarHBondContact O-CB 3.49Å; R85-L90 PolarHBondContact O-N 2.76Å; R86-L90 WeakPolarHBondContact CD-O 3.36Å; R86-L90 PolarHBondContact NH1-O 3.41Å; K88-L90 HydrophobicContact CB-CD1 3.95Å; K88-L90 HydrophobicContact CB-CG 3.89Å; K88-L90 HydrophobicContact CD-CD1 4.38Å; K88-L90 PolarHBondContact O-N 2.9Å; K88-L90 VanDerWaalsContact O-N 3.1Å
91V75.8Confident76.6Confident84 Ų8462 Ų6251%0.50933%0.33SS..  trans-66.8137.4169.1179.20000107.8T93V91-T93 HydrophobicContact CG1-CG2 4.12Å
92V75.6Confident76.8Confident30 Ų3064.8 Ų64.818%0.18235%0.346CS..  trans-118.3118.7171.5-179.80000106.8W81 V82 R85 R86 I97W81-V92 HydrophobicContact CH2-CG1 4.1Å; W81-V92 HydrophobicContact CZ3-CG1 3.71Å; V82-V92 HydrophobicContact CG1-CG1 4.45Å; V82-V92 HydrophobicContact CG2-CG1 4.19Å; R85-V92 HydrophobicContact CB-CG2 3.3Å; R85-V92 HydrophobicContact CG-CG2 4.05Å; R86-V92 HydrophobicContact CG-CG2 4.23Å; V92-I97 HydrophobicContact CG1-CD1 4.02Å; V92-I97 HydrophobicContact CG1-CG1 3.76Å
93T84Confident77.4Confident61 Ų6167.5 Ų67.537%0.37437%0.37SS..  trans-97.8162.117866.80000110.8V91 A95 E96 I97V91-T93 HydrophobicContact CG1-CG2 4.12Å; T93-A95 VanDerWaalsContact C-N 3.27Å; T93-A95 PolarHBondContact O-N 2.64Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 PolarHBondContact N-OE2 3.19Å; T93-E96 PolarHBondContact O-N 3.05Å; T93-E96 VanDerWaalsContact OG1-CG 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.34Å; T93-E96 PolarHBondContact OG1-N 3.49Å; T93-E96 PolarHBondContact OG1-OE2 2.81Å; T93-I97 WeakPolarHBondContact O-CG1 3.36Å; T93-I97 PolarHBondContact O-N 3.32Å; T93-I97 VanDerWaalsContact O-N 3.15Å
94R86Confident78.4Confident42 Ų4264.8 Ų64.816%0.15835%0.347CS..Hα-helixtrans-62.7-36.7177.1-63177.565123-1.7111.9I97 Q98 Q119 V122 D123 L133R94-I97 PolarHBondContact O-N 2.92Å; R94-Q98 WeakPolarHBondContact O-CG 3.31Å; R94-Q98 PolarHBondContact O-N 3.48Å; R94-Q98 VanDerWaalsContact O-N 3.11Å; R94-Q119 VanDerWaalsContact CZ-NE2 3.34Å; R94-Q119 PolarHBondContact NH2-O 2.97Å; R94-V122 HydrophobicContact CB-CG1 4.16Å; R94-V122 HydrophobicContact CG-CG1 4.16Å; R94-D123 IonicContact CZ-OD1 2.87Å; R94-D123 IonicContact NH1-OD1 3.02Å; R94-D123 PolarHBondContact NH1-OD1 2.92Å; R94-D123 IonicContact NH2-OD1 3.76Å; R94-D123 PolarHBondContact NH2-OD1 3.39Å; R94-D123 IonicContact NH2-OD2 3.69Å; R94-D123 PolarHBondContact NH2-OD2 3.01Å; R94-D123 VanDerWaalsContact NH2-OD2 3.15Å; R94-L133 HydrophobicContact CG-CD2 4.43Å
95A84.9Confident79.3Confident59 Ų5961.8 Ų61.849%0.48833%0.331SS..Hα-helixtrans-63.2-43.7176.500000111.7T93 I97 Q98 E99T93-A95 VanDerWaalsContact C-N 3.27Å; T93-A95 PolarHBondContact O-N 2.64Å; A95-I97 VanDerWaalsContact C-N 3.31Å; A95-I97 PolarHBondContact O-N 2.87Å; A95-Q98 WeakPolarHBondContact O-CB 3.45Å; A95-Q98 PolarHBondContact O-N 2.96Å; A95-Q98 VanDerWaalsContact O-N 3.12Å; A95-E99 PolarHBondContact O-N 3.48Å
96E83.7Confident79.7Confident53 Ų5363.1 Ų63.125%0.24835%0.348CS..Hα-helixtrans-67.4-32.6178-64.7168106.200112.3W81 R85 T93 Q98 Y100W81-E96 HydrophobicContact CH2-CB 3.78Å; R85-E96 IonicContact NH1-OE1 3.95Å; R85-E96 PolarHBondContact NH1-OE1 3.47Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 PolarHBondContact N-OE2 3.19Å; T93-E96 PolarHBondContact O-N 3.05Å; T93-E96 VanDerWaalsContact OG1-CG 3.25Å; T93-E96 WeakPolarHBondContact OG1-CG 3.34Å; T93-E96 PolarHBondContact OG1-N 3.49Å; T93-E96 PolarHBondContact OG1-OE2 2.81Å; E96-Q98 VanDerWaalsContact C-N 3.31Å; E96-Y100 WeakPolarHBondContact O-CB 3.42Å; E96-Y100 PolarHBondContact O-N 2.97Å
97I86.4Confident79.8Confident6 Ų663.5 Ų63.53%0.03136%0.356CS..Hα-helixtrans-62.2-41.7171.7-68.3168.2000110.3V78 W81 V82 V92 T93 R94 A95 A101 W121 V122 F125 L126V78-I97 HydrophobicContact CG1-CG2 3.84Å; W81-I97 HydrophobicContact CZ3-CG1 4Å; V82-I97 HydrophobicContact CG2-CD1 4.18Å; V82-I97 HydrophobicContact CG2-CG1 4.01Å; V92-I97 HydrophobicContact CG1-CD1 4.02Å; V92-I97 HydrophobicContact CG1-CG1 3.76Å; T93-I97 WeakPolarHBondContact O-CG1 3.36Å; T93-I97 PolarHBondContact O-N 3.32Å; T93-I97 VanDerWaalsContact O-N 3.15Å; R94-I97 PolarHBondContact O-N 2.92Å; A95-I97 VanDerWaalsContact C-N 3.31Å; A95-I97 PolarHBondContact O-N 2.87Å; I97-A101 VanDerWaalsContact O-CB 3.23Å; I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.42Å; I97-W121 HydrophobicContact CG2-CH2 4.28Å; I97-W121 HydrophobicContact CG2-CZ3 4.01Å; I97-V122 HydrophobicContact CG2-CG1 4.47Å; I97-V122 HydrophobicContact CG2-CG2 4.48Å; I97-F125 HydrophobicContact CD1-CE1 4.29Å; I97-F125 HydrophobicContact CG2-CD1 4.19Å; I97-F125 HydrophobicContact CG2-CE1 4.12Å; I97-L126 HydrophobicContact CD1-CD2 4.16Å
98Q90.8Very high80.8Confident42 Ų4263.4 Ų63.420%0.19635%0.346CS..Hα-helixtrans-66.9-48.2178.5-66.4169.2-54.500111.7R94 A95 E96 Y100 A101 L102 A117 V122R94-Q98 WeakPolarHBondContact O-CG 3.31Å; R94-Q98 PolarHBondContact O-N 3.48Å; R94-Q98 VanDerWaalsContact O-N 3.11Å; A95-Q98 WeakPolarHBondContact O-CB 3.45Å; A95-Q98 PolarHBondContact O-N 2.96Å; A95-Q98 VanDerWaalsContact O-N 3.12Å; E96-Q98 VanDerWaalsContact C-N 3.31Å; Q98-Y100 PolarHBondContact O-N 2.82Å; Q98-A101 PolarHBondContact O-N 3.27Å; Q98-L102 WeakPolarHBondContact O-CG 3.17Å; Q98-L102 PolarHBondContact O-N 3.06Å; Q98-A117 HydrophobicContact CB-CB 3.88Å; Q98-A117 HydrophobicContact CG-CB 4.11Å; Q98-A117 VanDerWaalsContact CG-O 3.31Å; Q98-A117 WeakPolarHBondContact CG-O 3.2Å; Q98-A117 PolarHBondContact NE2-O 3.48Å; Q98-V122 HydrophobicContact CG-CG2 3.41Å; Q98-V122 VanDerWaalsContact CG-CG2 3.41Å
99E85.2Confident81.6Confident140 Ų14066.1 Ų66.165%0.65437%0.365SS*.Hα-helixtrans-61.1-45.2179.1-172.2179.2-173.300111.2A95 L102 A103A95-E99 PolarHBondContact O-N 3.48Å; E99-L102 PolarHBondContact O-N 2.78Å; E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 2.82Å
100Y85.7Confident82Confident59 Ų5961.2 Ų61.223%0.23133%0.334CS..Hα-helixtrans-64.5-43.7177.3-173.7-104.1000112V78 W81 E96 Q98 L102 A103 V104V78-Y100 HydrophobicContact CG2-CD1 4.16Å; V78-Y100 HydrophobicContact CG2-CE1 4.5Å; W81-Y100 HydrophobicContact CB-CD1 3.82Å; W81-Y100 HydrophobicContact CB-CE1 3.24Å; W81-Y100 HydrophobicContact CB-CE2 4.44Å; W81-Y100 AromaticContact CD1-CD1 3.96Å; W81-Y100 AromaticContact CD1-CD2 3.58Å; W81-Y100 AromaticContact CD1-CE1 3.63Å; W81-Y100 AromaticContact CD1-CE2 3.21Å; W81-Y100 AromaticContact CD1-CG 3.93Å; W81-Y100 AromaticContact CD1-CZ 3.22Å; W81-Y100 AromaticContact CD2-CD1 3.58Å; W81-Y100 HydrophobicContact CD2-CD1 3.58Å; W81-Y100 HydrophobicContact CD2-CD2 4.04Å; W81-Y100 AromaticContact CD2-CE1 3.91Å; W81-Y100 HydrophobicContact CD2-CE1 3.91Å; W81-Y100 HydrophobicContact CD2-CE2 4.34Å; W81-Y100 AromaticContact CD2-CG 3.64Å; W81-Y100 HydrophobicContact CD2-CG 3.64Å; W81-Y100 AromaticContact CE2-CD2 3.64Å; W81-Y100 AromaticContact CE2-CG 3.58Å; W81-Y100 AromaticContact CE3-CD1 3.96Å; W81-Y100 HydrophobicContact CE3-CD1 3.96Å; W81-Y100 HydrophobicContact CE3-CG 4.16Å; W81-Y100 AromaticContact CG-CD1 3.52Å; W81-Y100 HydrophobicContact CG-CD1 3.52Å; W81-Y100 AromaticContact CG-CD2 3.99Å; W81-Y100 HydrophobicContact CG-CD2 3.99Å; W81-Y100 AromaticContact CG-CE1 3.3Å; W81-Y100 HydrophobicContact CG-CE1 3.3Å; W81-Y100 AromaticContact CG-CE2 3.79Å; W81-Y100 HydrophobicContact CG-CE2 3.79Å; W81-Y100 AromaticContact CG-CG 3.85Å; W81-Y100 HydrophobicContact CG-CG 3.85Å; W81-Y100 AromaticContact CG-CZ 3.43Å; W81-Y100 VanDerWaalsContact CG-CZ 3.43Å; W81-Y100 HydrophobicContact CZ2-CD2 4.23Å; W81-Y100 HydrophobicContact CZ2-CG 4.05Å; W81-Y100 AromaticContact NE1-CD2 3.3Å; W81-Y100 VanDerWaalsContact NE1-CD2 3.3Å; W81-Y100 AromaticContact NE1-CE2 3.39Å; W81-Y100 AromaticContact NE1-CG 3.73Å; W81-Y100 AromaticContact NE1-CZ 3.89Å; E96-Y100 WeakPolarHBondContact O-CB 3.42Å; E96-Y100 PolarHBondContact O-N 2.97Å; Q98-Y100 PolarHBondContact O-N 2.82Å; Y100-L102 VanDerWaalsContact C-N 3.32Å; Y100-L102 PolarHBondContact O-N 2.84Å; Y100-A103 PolarHBondContact O-N 2.95Å; Y100-V104 HydrophobicContact CD1-CG1 4.46Å; Y100-V104 HydrophobicContact CD2-CG1 4.37Å; Y100-V104 HydrophobicContact CE1-CG1 3.95Å; Y100-V104 HydrophobicContact CE2-CG1 3.86Å; Y100-V104 WeakPolarHBondContact O-CG2 3.41Å; Y100-V104 PolarHBondContact O-N 2.84Å; Y100-V104 VanDerWaalsContact O-N 3.12Å
101A87.8Confident82.5Confident0 Ų059.1 Ų59.10%033%0.326CS..Hα-helixtrans-59.4-42.117700000112V78 I97 Q98 V104 L105 F115 W121V78-A101 HydrophobicContact CG2-CB 3.96Å; I97-A101 VanDerWaalsContact O-CB 3.23Å; I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.42Å; Q98-A101 PolarHBondContact O-N 3.27Å; A101-V104 WeakPolarHBondContact O-CG2 3.34Å; A101-L105 WeakPolarHBondContact O-CG 3.25Å; A101-L105 PolarHBondContact O-N 3.06Å; A101-F115 HydrophobicContact CB-CE1 4.08Å; A101-F115 HydrophobicContact CB-CZ 4.26Å; A101-W121 HydrophobicContact CB-CH2 3.54Å; A101-W121 HydrophobicContact CB-CZ2 4.48Å; A101-W121 HydrophobicContact CB-CZ3 3.79Å
102L87.7Confident82.2Confident83 Ų8359.9 Ų59.944%0.43533%0.333SS..Hα-helixtrans-68-37.7176.1-67.7175.9000112.5Q98 E99 Y100 V104 L105 F115 A117Q98-L102 WeakPolarHBondContact O-CG 3.17Å; Q98-L102 PolarHBondContact O-N 3.06Å; E99-L102 PolarHBondContact O-N 2.78Å; Y100-L102 VanDerWaalsContact C-N 3.32Å; Y100-L102 PolarHBondContact O-N 2.84Å; L102-V104 VanDerWaalsContact C-N 3.31Å; L102-V104 PolarHBondContact O-N 3.16Å; L102-L105 HydrophobicContact CD2-CD1 3.7Å; L102-L105 WeakPolarHBondContact O-CB 3.48Å; L102-L105 PolarHBondContact O-N 3.13Å; L102-F115 HydrophobicContact CD2-CD1 4.21Å; L102-F115 HydrophobicContact CD2-CE1 4.38Å; L102-A117 HydrophobicContact CD1-CB 4.28Å; L102-A117 HydrophobicContact CD2-CB 3.98Å; L102-A117 HydrophobicContact CG-CB 3.84Å
103A85.8Confident82.1Confident69 Ų6966.6 Ų66.657%0.5736%0.363SS*.Hα-helixtrans-66.9-30.7-179.700000113.2E99 Y100 P106E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 2.82Å; Y100-A103 PolarHBondContact O-N 2.95Å; A103-P106 WeakPolarHBondContact O-CD 3.35Å
104V85.3Confident81.9Confident5 Ų569.8 Ų69.83%0.0337%0.373CS..Hα-helixtrans-94-5.3179.9-55.90000113.6L74 L77 Y100 A101 L102 P106 Q107 F108L74-V104 HydrophobicContact CD1-CG2 3.48Å; L74-V104 VanDerWaalsContact CD1-CG2 3.48Å; L77-V104 HydrophobicContact CD2-CB 3.79Å; L77-V104 HydrophobicContact CD2-CG1 3.98Å; L77-V104 HydrophobicContact CD2-CG2 3.88Å; Y100-V104 HydrophobicContact CD1-CG1 4.46Å; Y100-V104 HydrophobicContact CD2-CG1 4.37Å; Y100-V104 HydrophobicContact CE1-CG1 3.95Å; Y100-V104 HydrophobicContact CE2-CG1 3.86Å; Y100-V104 WeakPolarHBondContact O-CG2 3.41Å; Y100-V104 PolarHBondContact O-N 2.84Å; Y100-V104 VanDerWaalsContact O-N 3.12Å; A101-V104 WeakPolarHBondContact O-CG2 3.34Å; L102-V104 VanDerWaalsContact C-N 3.31Å; L102-V104 PolarHBondContact O-N 3.16Å; V104-P106 VanDerWaalsContact C-N 3.33Å; V104-Q107 VanDerWaalsContact O-CB 3.3Å; V104-Q107 WeakPolarHBondContact O-CB 3.04Å; V104-Q107 PolarHBondContact O-N 3.23Å; V104-F108 HydrophobicContact CB-CE2 4.47Å; V104-F108 HydrophobicContact CG2-CE2 4.23Å; V104-F108 WeakPolarHBondContact O-CD2 3.4Å
105L84.2Confident81.7Confident5 Ų568 Ų683%0.02637%0.367CS..G310 helixtrans-49.9-43.3175.7-82175000114.6L74 A101 L102 Q107 F108 I110 F115L74-L105 HydrophobicContact CD2-CD2 3.98Å; A101-L105 WeakPolarHBondContact O-CG 3.25Å; A101-L105 PolarHBondContact O-N 3.06Å; L102-L105 HydrophobicContact CD2-CD1 3.7Å; L102-L105 WeakPolarHBondContact O-CB 3.48Å; L102-L105 PolarHBondContact O-N 3.13Å; L105-Q107 PolarHBondContact O-N 3.47Å; L105-F108 PolarHBondContact O-N 2.95Å; L105-F108 VanDerWaalsContact O-N 3.08Å; L105-I110 HydrophobicContact CD2-CB 3.94Å; L105-I110 HydrophobicContact CD2-CD1 4.23Å; L105-I110 HydrophobicContact CD2-CG2 3.88Å; L105-F115 HydrophobicContact CD1-CB 4.43Å; L105-F115 HydrophobicContact CD1-CD1 3.89Å; L105-F115 HydrophobicContact CD2-CB 3.69Å; L105-F115 HydrophobicContact CD2-CD1 3.55Å; L105-F115 HydrophobicContact CD2-CE1 4.29Å; L105-F115 HydrophobicContact CD2-CG 3.77Å; L105-F115 HydrophobicContact CG-CD1 4.01Å
106P81.6Confident81.7Confident96 Ų9673 Ų7362%0.62338%0.377SS*.G310 helixtrans-62.4-15.9-179.1-22.935.2000113.8A103 V104 F108A103-P106 WeakPolarHBondContact O-CD 3.35Å; V104-P106 VanDerWaalsContact C-N 3.33Å; P106-F108 VanDerWaalsContact C-N 3.28Å
107Q79.3Confident81.9Confident136 Ų13671 Ų7164%0.63637%0.371SS*.G310 helixtrans-78.1-13.4178.7-56.8-179.121.100113.2V104 L105V104-Q107 VanDerWaalsContact O-CB 3.3Å; V104-Q107 WeakPolarHBondContact O-CB 3.04Å; V104-Q107 PolarHBondContact O-N 3.23Å; L105-Q107 PolarHBondContact O-N 3.47Å
108F77Confident81.9Confident49 Ų4973.3 Ų73.322%0.21539%0.387CS..G310 helixtrans-115.512.2-175.5-60.2-78.1000112.7E73 L74 L77 V104 L105 P106 I110E73-F108 HydrophobicContact CB-CD1 3.94Å; E73-F108 HydrophobicContact CB-CE1 3.63Å; L74-F108 HydrophobicContact CB-CD2 4.37Å; L74-F108 HydrophobicContact CB-CE2 4.32Å; L74-F108 HydrophobicContact CD1-CD2 3.99Å; L74-F108 HydrophobicContact CD1-CE2 3.81Å; L77-F108 HydrophobicContact CB-CZ 4.02Å; L77-F108 HydrophobicContact CD2-CE2 3.71Å; L77-F108 HydrophobicContact CD2-CZ 3.67Å; L77-F108 HydrophobicContact CG-CZ 4.48Å; V104-F108 HydrophobicContact CB-CE2 4.47Å; V104-F108 HydrophobicContact CG2-CE2 4.23Å; V104-F108 WeakPolarHBondContact O-CD2 3.4Å; L105-F108 PolarHBondContact O-N 2.95Å; L105-F108 VanDerWaalsContact O-N 3.08Å; P106-F108 VanDerWaalsContact C-N 3.28Å; F108-I110 HydrophobicContact CB-CD1 3.63Å; F108-I110 HydrophobicContact CB-CG1 3.91Å; F108-I110 HydrophobicContact CG-CD1 4.47Å; F108-I110 WeakPolarHBondContact O-CG1 3.4Å; F108-I110 PolarHBondContact O-N 3.2Å; F108-I110 VanDerWaalsContact O-N 3.12Å
109D75.3Confident81.7Confident160 Ų16076 Ų7686%0.85640%0.399SS*.THydrogen-bonded Turntrans52.928.8-174.6-66.7-36.6000113.9
110I76.3Confident81.7Confident22 Ų2275.2 Ų75.211%0.11340%0.396CS..  trans-93.6124.1178.2-58.5163.2000109.1Y71 L105 F108 Q114 F115Y71-I110 HydrophobicContact CD1-CD1 3.34Å; Y71-I110 HydrophobicContact CD1-CG1 4.12Å; Y71-I110 HydrophobicContact CE1-CD1 3.72Å; Y71-I110 HydrophobicContact CE1-CG1 4.03Å; Y71-I110 HydrophobicContact CE1-CG2 4Å; Y71-I110 HydrophobicContact CG-CD1 4.12Å; L105-I110 HydrophobicContact CD2-CB 3.94Å; L105-I110 HydrophobicContact CD2-CD1 4.23Å; L105-I110 HydrophobicContact CD2-CG2 3.88Å; F108-I110 HydrophobicContact CB-CD1 3.63Å; F108-I110 HydrophobicContact CB-CG1 3.91Å; F108-I110 HydrophobicContact CG-CD1 4.47Å; F108-I110 WeakPolarHBondContact O-CG1 3.4Å; F108-I110 PolarHBondContact O-N 3.2Å; F108-I110 VanDerWaalsContact O-N 3.12Å; I110-Q114 HydrophobicContact CG2-CB 4.11Å; I110-F115 HydrophobicContact CG2-CB 3.85Å
111S74Confident82Confident40 Ų4073.6 Ų73.628%0.2839%0.389SS..  trans-67.2142.1174.6172.50000111.3E113 Q114 F115S111-E113 PolarHBondContact O-N 3.08Å; S111-E113 PolarHBondContact OG-N 3.47Å; S111-Q114 WeakPolarHBondContact O-CB 3.34Å; S111-Q114 PolarHBondContact O-N 3.38Å; S111-F115 PolarHBondContact O-N 2.56Å
112P69.1Low81.9Confident100 Ų10073.6 Ų73.665%0.64939%0.389SS*.THydrogen-bonded Turntrans-54.9-20.5171.7-25.134.2000114.4
113E75.2Confident81.7Confident172 Ų17272.9 Ų72.980%0.80439%0.385SS*.THydrogen-bonded Turntrans-77-26176.2-63.8168.1173.600112.5S111S111-E113 PolarHBondContact O-N 3.08Å; S111-E113 PolarHBondContact OG-N 3.47Å
114Q78.1Confident81.5Confident128 Ų12871.7 Ų71.760%0.59837%0.37SS*.THydrogen-bonded Turntrans-88.4-33.2-176-67.5177.1-16.800112.8Y71 I110 S111Y71-Q114 PolarHBondContact OH-O 3.04Å; I110-Q114 HydrophobicContact CG2-CB 4.11Å; S111-Q114 WeakPolarHBondContact O-CB 3.34Å; S111-Q114 PolarHBondContact O-N 3.38Å
115F83.3Confident81.5Confident5 Ų571.5 Ų71.52%0.02237%0.368CS..  trans-116.1122.4177.9177.6-95.7000111.9Y71 L74 A101 L102 L105 I110 S111 A117 W121Y71-F115 AromaticContact CD2-CD2 3.55Å; Y71-F115 HydrophobicContact CD2-CD2 3.55Å; Y71-F115 HydrophobicContact CD2-CE2 4.08Å; Y71-F115 HydrophobicContact CE2-CB 4.24Å; Y71-F115 AromaticContact CE2-CD2 3.6Å; Y71-F115 HydrophobicContact CE2-CD2 3.6Å; Y71-F115 HydrophobicContact CE2-CE2 4.5Å; Y71-F115 HydrophobicContact CE2-CG 4.4Å; Y71-F115 HydrophobicContact CG-CD2 4.39Å; L74-F115 HydrophobicContact CD2-CD1 4.27Å; L74-F115 HydrophobicContact CD2-CD2 3.96Å; L74-F115 HydrophobicContact CD2-CE1 3.96Å; L74-F115 HydrophobicContact CD2-CE2 3.68Å; L74-F115 HydrophobicContact CD2-CG 4.23Å; L74-F115 HydrophobicContact CD2-CZ 3.65Å; A101-F115 HydrophobicContact CB-CE1 4.08Å; A101-F115 HydrophobicContact CB-CZ 4.26Å; L102-F115 HydrophobicContact CD2-CD1 4.21Å; L102-F115 HydrophobicContact CD2-CE1 4.38Å; L105-F115 HydrophobicContact CD1-CB 4.43Å; L105-F115 HydrophobicContact CD1-CD1 3.89Å; L105-F115 HydrophobicContact CD2-CB 3.69Å; L105-F115 HydrophobicContact CD2-CD1 3.55Å; L105-F115 HydrophobicContact CD2-CE1 4.29Å; L105-F115 HydrophobicContact CD2-CG 3.77Å; L105-F115 HydrophobicContact CG-CD1 4.01Å; I110-F115 HydrophobicContact CG2-CB 3.85Å; S111-F115 PolarHBondContact O-N 2.56Å; F115-A117 HydrophobicContact CE1-CB 3.83Å; F115-A117 HydrophobicContact CZ-CB 4.35Å; F115-W121 AromaticContact CE2-CD1 3.86Å; F115-W121 AromaticContact CE2-CD2 3.93Å; F115-W121 HydrophobicContact CE2-CD2 3.93Å; F115-W121 AromaticContact CE2-CE2 3.63Å; F115-W121 HydrophobicContact CE2-CG 4.08Å; F115-W121 HydrophobicContact CE2-CZ2 4.12Å; F115-W121 AromaticContact CE2-NE1 3.61Å; F115-W121 AromaticContact CZ-CD2 3.66Å; F115-W121 HydrophobicContact CZ-CD2 3.66Å; F115-W121 AromaticContact CZ-CE2 3.51Å; F115-W121 AromaticContact CZ-CE3 3.96Å; F115-W121 HydrophobicContact CZ-CE3 3.96Å; F115-W121 HydrophobicContact CZ-CG 4.23Å; F115-W121 AromaticContact CZ-CH2 3.98Å; F115-W121 HydrophobicContact CZ-CH2 3.98Å; F115-W121 AromaticContact CZ-CZ2 3.68Å; F115-W121 HydrophobicContact CZ-CZ2 3.68Å; F115-W121 HydrophobicContact CZ-CZ3 4.11Å
116K84.9Confident81.3Confident162 Ų16272.2 Ų72.270%0.70437%0.372SS*.  trans-110120.1168.2-66.9-176.7-178.3-179.80109S118K116-S118 PolarHBondContact O-N 3.02Å
117A86.4Confident81Confident13 Ų1374.6 Ų74.611%0.10738%0.375CS..  trans-69.654.7168.900000111.3Q98 L102 F115 W121Q98-A117 HydrophobicContact CB-CB 3.88Å; Q98-A117 HydrophobicContact CG-CB 4.11Å; Q98-A117 VanDerWaalsContact CG-O 3.31Å; Q98-A117 WeakPolarHBondContact CG-O 3.2Å; Q98-A117 PolarHBondContact NE2-O 3.48Å; L102-A117 HydrophobicContact CD1-CB 4.28Å; L102-A117 HydrophobicContact CD2-CB 3.98Å; L102-A117 HydrophobicContact CG-CB 3.84Å; F115-A117 HydrophobicContact CE1-CB 3.83Å; F115-A117 HydrophobicContact CZ-CB 4.35Å; A117-W121 HydrophobicContact CB-CE3 4.31Å; A117-W121 HydrophobicContact CB-CZ3 4.45Å
118S87.5Confident80.8Confident53 Ų5372.9 Ų72.937%0.37136%0.363SS..  trans-68.3160.1-178.367.90000111.3K116 H120 W121 V122K116-S118 PolarHBondContact O-N 3.02Å; S118-H120 PolarHBondContact O-N 3.26Å; S118-W121 WeakPolarHBondContact O-CB 3.2Å; S118-W121 PolarHBondContact O-N 3.41Å; S118-W121 PolarHBondContact OG-N 2.89Å; S118-W121 VanDerWaalsContact OG-N 3.17Å; S118-V122 PolarHBondContact O-N 2.81Å; S118-V122 VanDerWaalsContact O-N 3.11Å
119Q85.3Confident80.4Confident98 Ų9872.9 Ų72.946%0.45837%0.365SS..Hα-helixtrans-55.9-39175.8-163.269.2-0.900112R94 V122 D123R94-Q119 VanDerWaalsContact CZ-NE2 3.34Å; R94-Q119 PolarHBondContact NH2-O 2.97Å; Q119-V122 PolarHBondContact O-N 2.84Å; Q119-D123 PolarHBondContact O-N 3.49Å; Q119-D123 VanDerWaalsContact O-OD2 3.08Å
120H87Confident80.2Confident125 Ų12572.6 Ų72.658%0.57936%0.364SS*.Hα-helixtrans-66.5-35.7177.5-172.668000112.7S118 N124S118-H120 PolarHBondContact O-N 3.26Å; H120-N124 PolarHBondContact CD2-ND2 3.05Å; H120-N124 VanDerWaalsContact CD2-ND2 3.28Å; H120-N124 PolarHBondContact NE2-ND2 3.27Å; H120-N124 VanDerWaalsContact O-CG 3.3Å; H120-N124 PolarHBondContact O-N 3.16Å; H120-N124 VanDerWaalsContact O-N 3.17Å; H120-N124 PolarHBondContact O-ND2 3.35Å
121W90.4Very high79.9Confident24 Ų2474.3 Ų74.39%0.09137%0.372CS..Hα-helixtrans-63.8-45172.3172.277000110.8E75 V78 I97 A101 F115 A117 S118 D123 N124 F125E75-W121 HydrophobicContact CG-CZ2 4.04Å; E75-W121 PolarHBondContact OE1-NE1 3.25Å; V78-W121 HydrophobicContact CG1-CH2 4.37Å; V78-W121 HydrophobicContact CG2-CH2 4.43Å; I97-W121 HydrophobicContact CG2-CH2 4.28Å; I97-W121 HydrophobicContact CG2-CZ3 4.01Å; A101-W121 HydrophobicContact CB-CH2 3.54Å; A101-W121 HydrophobicContact CB-CZ2 4.48Å; A101-W121 HydrophobicContact CB-CZ3 3.79Å; F115-W121 AromaticContact CE2-CD1 3.86Å; F115-W121 AromaticContact CE2-CD2 3.93Å; F115-W121 HydrophobicContact CE2-CD2 3.93Å; F115-W121 AromaticContact CE2-CE2 3.63Å; F115-W121 HydrophobicContact CE2-CG 4.08Å; F115-W121 HydrophobicContact CE2-CZ2 4.12Å; F115-W121 AromaticContact CE2-NE1 3.61Å; F115-W121 AromaticContact CZ-CD2 3.66Å; F115-W121 HydrophobicContact CZ-CD2 3.66Å; F115-W121 AromaticContact CZ-CE2 3.51Å; F115-W121 AromaticContact CZ-CE3 3.96Å; F115-W121 HydrophobicContact CZ-CE3 3.96Å; F115-W121 HydrophobicContact CZ-CG 4.23Å; F115-W121 AromaticContact CZ-CH2 3.98Å; F115-W121 HydrophobicContact CZ-CH2 3.98Å; F115-W121 AromaticContact CZ-CZ2 3.68Å; F115-W121 HydrophobicContact CZ-CZ2 3.68Å; F115-W121 HydrophobicContact CZ-CZ3 4.11Å; A117-W121 HydrophobicContact CB-CE3 4.31Å; A117-W121 HydrophobicContact CB-CZ3 4.45Å; S118-W121 WeakPolarHBondContact O-CB 3.2Å; S118-W121 PolarHBondContact O-N 3.41Å; S118-W121 PolarHBondContact OG-N 2.89Å; S118-W121 VanDerWaalsContact OG-N 3.17Å; W121-D123 PolarHBondContact O-N 2.84Å; W121-N124 PolarHBondContact O-N 2.79Å; W121-F125 HydrophobicContact CZ2-CB 4.38Å; W121-F125 HydrophobicContact CZ2-CD2 4.48Å; W121-F125 HydrophobicContact CZ2-CG 4.49Å; W121-F125 WeakPolarHBondContact O-CB 3.46Å; W121-F125 PolarHBondContact O-N 3.01Å
122V87.2Confident79.8Confident0 Ų075.5 Ų75.50%038%0.381CS..Hα-helixtrans-61-43.9177.4-179.60000111.5R94 I97 Q98 S118 Q119 N124 F125 L126R94-V122 HydrophobicContact CB-CG1 4.16Å; R94-V122 HydrophobicContact CG-CG1 4.16Å; I97-V122 HydrophobicContact CG2-CG1 4.47Å; I97-V122 HydrophobicContact CG2-CG2 4.48Å; Q98-V122 HydrophobicContact CG-CG2 3.41Å; Q98-V122 VanDerWaalsContact CG-CG2 3.41Å; S118-V122 PolarHBondContact O-N 2.81Å; S118-V122 VanDerWaalsContact O-N 3.11Å; Q119-V122 PolarHBondContact O-N 2.84Å; V122-N124 VanDerWaalsContact C-N 3.34Å; V122-N124 PolarHBondContact O-N 3.2Å; V122-F125 PolarHBondContact O-N 3.33Å; V122-L126 HydrophobicContact CG1-CD1 4Å; V122-L126 HydrophobicContact CG1-CG 4.2Å; V122-L126 WeakPolarHBondContact O-CB 3.42Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.27Å; V122-L126 PolarHBondContact O-N 2.87Å
123D82.3Confident79.6Confident68 Ų6877 Ų7736%0.36438%0.383SS..Hα-helixtrans-56-50176.4-75.9-45000111.7R94 Q119 W121 F125 L126 E127R94-D123 IonicContact CZ-OD1 2.87Å; R94-D123 IonicContact NH1-OD1 3.02Å; R94-D123 PolarHBondContact NH1-OD1 2.92Å; R94-D123 IonicContact NH2-OD1 3.76Å; R94-D123 PolarHBondContact NH2-OD1 3.39Å; R94-D123 IonicContact NH2-OD2 3.69Å; R94-D123 PolarHBondContact NH2-OD2 3.01Å; R94-D123 VanDerWaalsContact NH2-OD2 3.15Å; Q119-D123 PolarHBondContact O-N 3.49Å; Q119-D123 VanDerWaalsContact O-OD2 3.08Å; W121-D123 PolarHBondContact O-N 2.84Å; D123-F125 PolarHBondContact O-N 3.15Å; D123-L126 PolarHBondContact O-N 2.86Å; D123-E127 PolarHBondContact O-N 2.87Å
124N82.3Confident78.9Confident45 Ų4578.8 Ų78.824%0.24138%0.382CS..Hα-helixtrans-67.8-36.1-179.6-70.4-43.6000112.4H120 W121 V122 R128H120-N124 PolarHBondContact CD2-ND2 3.05Å; H120-N124 VanDerWaalsContact CD2-ND2 3.28Å; H120-N124 PolarHBondContact NE2-ND2 3.27Å; H120-N124 VanDerWaalsContact O-CG 3.3Å; H120-N124 PolarHBondContact O-N 3.16Å; H120-N124 VanDerWaalsContact O-N 3.17Å; H120-N124 PolarHBondContact O-ND2 3.35Å; W121-N124 PolarHBondContact O-N 2.79Å; V122-N124 VanDerWaalsContact C-N 3.34Å; V122-N124 PolarHBondContact O-N 3.2Å; N124-R128 WeakPolarHBondContact O-CB 3.36Å; N124-R128 VanDerWaalsContact O-CG 3.3Å; N124-R128 WeakPolarHBondContact O-CG 3.46Å; N124-R128 PolarHBondContact O-N 3.02Å
125F84.2Confident77.5Confident0 Ų083.7 Ų83.70%040%0.395CS..Hα-helixtrans-61.9-46174161.5-98.5000110.9E75 V78 V82 I97 W121 V122 D123 R128 N129 L131E75-F125 HydrophobicContact CB-CD2 4.18Å; E75-F125 HydrophobicContact CB-CE2 4.43Å; E75-F125 HydrophobicContact CG-CD2 3.96Å; V78-F125 HydrophobicContact CB-CE2 4.2Å; V78-F125 HydrophobicContact CB-CZ 4.3Å; V78-F125 HydrophobicContact CG1-CE1 4.14Å; V78-F125 HydrophobicContact CG1-CE2 3.98Å; V78-F125 HydrophobicContact CG1-CZ 3.67Å; V82-F125 HydrophobicContact CG2-CE1 4.39Å; V82-F125 HydrophobicContact CG2-CZ 4.35Å; I97-F125 HydrophobicContact CD1-CE1 4.29Å; I97-F125 HydrophobicContact CG2-CD1 4.19Å; I97-F125 HydrophobicContact CG2-CE1 4.12Å; W121-F125 HydrophobicContact CZ2-CB 4.38Å; W121-F125 HydrophobicContact CZ2-CD2 4.48Å; W121-F125 HydrophobicContact CZ2-CG 4.49Å; W121-F125 WeakPolarHBondContact O-CB 3.46Å; W121-F125 PolarHBondContact O-N 3.01Å; V122-F125 PolarHBondContact O-N 3.33Å; D123-F125 PolarHBondContact O-N 3.15Å; F125-R128 PolarHBondContact O-N 2.95Å; F125-N129 VanDerWaalsContact CD2-ND2 3.29Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.42Å; F125-N129 VanDerWaalsContact CE2-ND2 3.31Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.48Å; F125-N129 WeakPolarHBondContact O-CB 3.45Å; F125-N129 PolarHBondContact O-N 2.73Å; F125-N129 PolarHBondContact O-ND2 2.76Å; F125-L131 HydrophobicContact CE1-CD1 3.82Å; F125-L131 HydrophobicContact CZ-CD1 4.03Å
126L80.3Confident75.8Confident20 Ų2088 Ų8811%0.10543%0.426CS..Hα-helixtrans-62.4-47.4178.5-69.7174.3000110.7I97 V122 D123 R128 N129 D130 L131I97-L126 HydrophobicContact CD1-CD2 4.16Å; V122-L126 HydrophobicContact CG1-CD1 4Å; V122-L126 HydrophobicContact CG1-CG 4.2Å; V122-L126 WeakPolarHBondContact O-CB 3.42Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.27Å; V122-L126 PolarHBondContact O-N 2.87Å; D123-L126 PolarHBondContact O-N 2.86Å; L126-R128 PolarHBondContact O-N 3.3Å; L126-N129 PolarHBondContact O-N 3.14Å; L126-D130 PolarHBondContact O-N 2.84Å; L126-L131 CarbonylContact C-O 3.49Å; L126-L131 HydrophobicContact CB-CB 4.24Å; L126-L131 HydrophobicContact CD2-CB 3.52Å; L126-L131 HydrophobicContact CD2-CD1 3.96Å; L126-L131 HydrophobicContact CD2-CG 4.4Å; L126-L131 HydrophobicContact CG-CB 4.49Å; L126-L131 PolarHBondContact O-N 2.88Å
127E75.1Confident73.8Confident146 Ų14684.5 Ų84.568%0.68242%0.418SS*.Hα-helixtrans-61.2-41.9177.9-171.4179.4-17400112.2D123 N129 D130D123-E127 PolarHBondContact O-N 2.87Å; E127-N129 PolarHBondContact O-N 3.31Å; E127-D130 PolarHBondContact O-N 3.26Å
128R75.2Confident72Confident100 Ų10090.8 Ų90.838%0.37746%0.455SS..Hα-helixtrans-68.3-31.4178.9-79.4-169.3-69.9-85.7-3114.1E75 N124 F125 L126E75-R128 IonicContact OE1-CZ 3.44Å; E75-R128 IonicContact OE1-NE 3.68Å; E75-R128 IonicContact OE1-NH2 3.62Å; E75-R128 PolarHBondContact OE1-NH2 3.45Å; E75-R128 IonicContact OE2-CZ 3.57Å; E75-R128 IonicContact OE2-NE 2.73Å; E75-R128 PolarHBondContact OE2-NE 2.79Å; E75-R128 IonicContact OE2-NH2 2.84Å; E75-R128 PolarHBondContact OE2-NH2 3.39Å; N124-R128 WeakPolarHBondContact O-CB 3.36Å; N124-R128 VanDerWaalsContact O-CG 3.3Å; N124-R128 WeakPolarHBondContact O-CG 3.46Å; N124-R128 PolarHBondContact O-N 3.02Å; F125-R128 PolarHBondContact O-N 2.95Å; L126-R128 PolarHBondContact O-N 3.3Å
129N68.5Low69.7Low49 Ų4995.5 Ų95.526%0.26248%0.476SS..THydrogen-bonded Turntrans-97.413.7-178-72.8-90.5000112.7S79 F125 L126 E127 L131S79-N129 WeakPolarHBondContact CB-OD1 3.35Å; S79-N129 PolarHBondContact OG-OD1 2.82Å; F125-N129 VanDerWaalsContact CD2-ND2 3.29Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.42Å; F125-N129 VanDerWaalsContact CE2-ND2 3.31Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.48Å; F125-N129 WeakPolarHBondContact O-CB 3.45Å; F125-N129 PolarHBondContact O-N 2.73Å; F125-N129 PolarHBondContact O-ND2 2.76Å; L126-N129 PolarHBondContact O-N 3.14Å; E127-N129 PolarHBondContact O-N 3.31Å; N129-L131 HydrophobicContact CB-CD1 3.91Å; N129-L131 HydrophobicContact CB-CG 3.91Å; N129-L131 PolarHBondContact O-N 2.96Å; N129-L131 VanDerWaalsContact O-N 3.14Å
130D71.3Confident67.6Low155 Ų15599.4 Ų99.483%0.82949%0.492SS*.THydrogen-bonded Turntrans54.529.6-176.3-65-51.6000113.4L126 E127L126-D130 PolarHBondContact O-N 2.84Å; E127-D130 PolarHBondContact O-N 3.26Å
131L70.9Confident65.8Low57 Ų57103.7 Ų103.730%0.29850%0.503SS..  trans-94.2139.2178.3-59.6174.2000110V82 F125 L126 N129V82-L131 HydrophobicContact CG1-CD1 4.13Å; F125-L131 HydrophobicContact CE1-CD1 3.82Å; F125-L131 HydrophobicContact CZ-CD1 4.03Å; L126-L131 CarbonylContact C-O 3.49Å; L126-L131 HydrophobicContact CB-CB 4.24Å; L126-L131 HydrophobicContact CD2-CB 3.52Å; L126-L131 HydrophobicContact CD2-CD1 3.96Å; L126-L131 HydrophobicContact CD2-CG 4.4Å; L126-L131 HydrophobicContact CG-CB 4.49Å; L126-L131 PolarHBondContact O-N 2.88Å; N129-L131 HydrophobicContact CB-CD1 3.91Å; N129-L131 HydrophobicContact CB-CG 3.91Å; N129-L131 PolarHBondContact O-N 2.96Å; N129-L131 VanDerWaalsContact O-N 3.14Å
132S72.3Confident64.3Low66 Ų66104.5 Ų104.546%0.46251%0.508SS..  trans-137.2149.7178.747.90000110.7R134S132-R134 PolarHBondContact O-N 2.97Å; S132-R134 PolarHBondContact OG-NE 3.33Å; S132-R134 PolarHBondContact OG-NH2 3.43Å
133L64.9Low63.3Low130 Ų130112 Ų11268%0.68154%0.544SS*.  trans-63.5125.5170.1-75.3163000109R94R94-L133 HydrophobicContact CG-CD2 4.43Å
134R58.9Low62.8Low211 Ų211113.8 Ų113.880%0.79655%0.553SS**  trans-128140.5177.9-61.8-64.6179.9149.31.5109.2S132 S136S132-R134 PolarHBondContact O-N 2.97Å; S132-R134 PolarHBondContact OG-NE 3.33Å; S132-R134 PolarHBondContact OG-NH2 3.43Å; R134-S136 PolarHBondContact O-N 2.84Å
135R49.5Very low62.5Low230 Ų230115.2 Ų115.287%0.86857%0.571SS**  trans-67.7128.7173.9-173.7177.5-84.2-174.8-5.3108.4T137R135-T137 PolarHBondContact O-N 3.44Å
136S48.1Very low62.1Low96 Ų96118.4 Ų118.467%0.67159%0.586SS**  trans-58.2124.4173.7-170.80000109R134R134-S136 PolarHBondContact O-N 2.84Å
137T41.9Very low61.7Low88 Ų88120.4 Ų120.454%0.5460%0.596SS.*  trans-122.6126.2178.739.70000108.2R135 L139R135-T137 PolarHBondContact O-N 3.44Å; T137-L139 PolarHBondContact O-N 2.73Å
138T49.1Very low61.9Low145 Ų145117.4 Ų117.489%0.8959%0.588SS**SBendtrans-76.5-6.3-177.9-33.70000112.4
139L39.2Very low62.4Low153 Ų153119.3 Ų119.380%0.80160%0.599SS**  trans-135.794.1-172-73.9164.3000110.5T137 R141T137-L139 PolarHBondContact O-N 2.73Å; L139-R141 PolarHBondContact O-N 2.97Å
140F41.8Very low62.9Low180 Ų180121 Ų12179%0.78960%0.602SS**  trans-77.894156.2-93.5-89.6000107.6L142F140-L142 PolarHBondContact O-N 3.17Å
141R48.1Very low63.4Low215 Ų215115.1 Ų115.181%0.81157%0.574SS**  trans-83.1101.1158.6-163.1171.6178.2166.4-2.3105.7L139 E143L139-R141 PolarHBondContact O-N 2.97Å; R141-E143 PolarHBondContact O-N 3.4Å
142L58.7Low64.1Low40 Ų40117.7 Ų117.721%0.20959%0.588CS.*  trans-55.8136.1167.9-72.3165.1000107.3F140 D144 E146 I147F140-L142 PolarHBondContact O-N 3.17Å; L142-D144 PolarHBondContact O-N 2.94Å; L142-E146 HydrophobicContact CD2-CG 4.28Å; L142-I147 HydrophobicContact CB-CD1 3.9Å; L142-I147 HydrophobicContact CB-CG1 3.48Å; L142-I147 VanDerWaalsContact CB-CG1 3.48Å; L142-I147 HydrophobicContact CD1-CG1 4.17Å; L142-I147 HydrophobicContact CG-CG1 4.47Å
143E66.8Low64.7Low158 Ų158117.6 Ų117.674%0.73859%0.591SS**  trans-59.1139.4172.4-69.7-171.9169.300109.2R141 A145 E146 I147R141-E143 PolarHBondContact O-N 3.4Å; E143-A145 PolarHBondContact O-N 3.08Å; E143-E146 WeakPolarHBondContact O-CB 3.41Å; E143-E146 PolarHBondContact O-N 2.87Å; E143-I147 PolarHBondContact O-N 3.32Å; E143-I147 VanDerWaalsContact O-N 3.13Å
144D71.3Confident65.7Low106 Ų106113.7 Ų113.757%0.56757%0.567SS**Hα-helixtrans-54.9-33.9-172.9-65.9-27.1000111.9L142 E146 I147 V148L142-D144 PolarHBondContact O-N 2.94Å; D144-E146 PolarHBondContact O-N 2.99Å; D144-I147 PolarHBondContact O-N 3.22Å; D144-V148 VanDerWaalsContact O-CG2 3.26Å; D144-V148 WeakPolarHBondContact O-CG2 3.42Å; D144-V148 PolarHBondContact O-N 3.3Å
145A77.4Confident67Low75 Ų75109.7 Ų109.762%0.6256%0.556SS**Hα-helixtrans-62.3-40.4175.300000113.4E143 V148 K149E143-A145 PolarHBondContact O-N 3.08Å; A145-V148 PolarHBondContact O-N 3.24Å; A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 PolarHBondContact O-N 3.45Å
146E75.2Confident68.9Low67 Ų67105.5 Ų105.531%0.31354%0.544SS..Hα-helixtrans-73.3-34.9178.5179.660.6-164.500111L142 E143 D144 K149 R150L142-E146 HydrophobicContact CD2-CG 4.28Å; E143-E146 WeakPolarHBondContact O-CB 3.41Å; E143-E146 PolarHBondContact O-N 2.87Å; D144-E146 PolarHBondContact O-N 2.99Å; E146-K149 PolarHBondContact O-N 3.1Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.44Å; E146-R150 PolarHBondContact O-N 3.07Å; E146-R150 IonicContact OE1-CZ 3.53Å; E146-R150 IonicContact OE1-NE 3.26Å; E146-R150 PolarHBondContact OE1-NE 2.88Å; E146-R150 IonicContact OE1-NH2 3.53Å; E146-R150 PolarHBondContact OE1-NH2 3.41Å; E146-R150 VanDerWaalsContact OE1-NH2 3.12Å
147I72Confident70.8Confident61 Ų61105.7 Ų105.731%0.31353%0.533SS..Hα-helixtrans-61.7-48.5171.4-60.8177000110L142 E143 D144 K149 R150 A151L142-I147 HydrophobicContact CB-CD1 3.9Å; L142-I147 HydrophobicContact CB-CG1 3.48Å; L142-I147 VanDerWaalsContact CB-CG1 3.48Å; L142-I147 HydrophobicContact CD1-CG1 4.17Å; L142-I147 HydrophobicContact CG-CG1 4.47Å; E143-I147 PolarHBondContact O-N 3.32Å; E143-I147 VanDerWaalsContact O-N 3.13Å; D144-I147 PolarHBondContact O-N 3.22Å; I147-K149 VanDerWaalsContact C-N 3.35Å; I147-K149 PolarHBondContact O-N 3.31Å; I147-R150 PolarHBondContact O-N 3.43Å; I147-A151 WeakPolarHBondContact O-CB 3.39Å; I147-A151 PolarHBondContact O-N 2.9Å
148V79.9Confident73Confident84 Ų84103 Ų10351%0.50952%0.516SS..Hα-helixtrans-60.9-45178.9170.80000110.7D144 A145 R150 A151 L152D144-V148 VanDerWaalsContact O-CG2 3.26Å; D144-V148 WeakPolarHBondContact O-CG2 3.42Å; D144-V148 PolarHBondContact O-N 3.3Å; A145-V148 PolarHBondContact O-N 3.24Å; V148-R150 VanDerWaalsContact C-N 3.34Å; V148-R150 PolarHBondContact O-N 3.13Å; V148-A151 PolarHBondContact O-N 3.12Å; V148-L152 HydrophobicContact CG1-CD1 3.92Å; V148-L152 HydrophobicContact CG1-CG 4.29Å; V148-L152 WeakPolarHBondContact O-CB 3.44Å; V148-L152 VanDerWaalsContact O-CG 3.32Å; V148-L152 WeakPolarHBondContact O-CG 3.32Å; V148-L152 PolarHBondContact O-N 2.99Å
149K83.8Confident74.9Confident140 Ų140101.3 Ų101.361%0.60950%0.502SS*.Hα-helixtrans-58.2-45.5176.7-175.4-178.7177.3-174.90112.1A145 E146 I147 L152 A153A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 PolarHBondContact O-N 3.45Å; E146-K149 PolarHBondContact O-N 3.1Å; I147-K149 VanDerWaalsContact C-N 3.35Å; I147-K149 PolarHBondContact O-N 3.31Å; K149-L152 PolarHBondContact O-N 2.92Å; K149-A153 WeakPolarHBondContact O-CB 3.4Å; K149-A153 PolarHBondContact O-N 2.93Å
150R80.3Confident77.3Confident85 Ų8599.9 Ų99.932%0.32150%0.495SS..Hα-helixtrans-65.4-41.1176.5-71.6175.1-172.2-1663112.2E146 I147 V148 A153 Y154E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.44Å; E146-R150 PolarHBondContact O-N 3.07Å; E146-R150 IonicContact OE1-CZ 3.53Å; E146-R150 IonicContact OE1-NE 3.26Å; E146-R150 PolarHBondContact OE1-NE 2.88Å; E146-R150 IonicContact OE1-NH2 3.53Å; E146-R150 PolarHBondContact OE1-NH2 3.41Å; E146-R150 VanDerWaalsContact OE1-NH2 3.12Å; I147-R150 PolarHBondContact O-N 3.43Å; V148-R150 VanDerWaalsContact C-N 3.34Å; V148-R150 PolarHBondContact O-N 3.13Å; R150-A153 PolarHBondContact O-N 3.41Å; R150-Y154 VanDerWaalsContact O-CB 3.29Å; R150-Y154 WeakPolarHBondContact O-CB 3.44Å; R150-Y154 PolarHBondContact O-N 3.25Å
151A80.9Confident79.6Confident31 Ų3192.7 Ų92.726%0.25646%0.464SS..Hα-helixtrans-64-41.5177.600000111.9I147 V148 Y154 K155 M302I147-A151 WeakPolarHBondContact O-CB 3.39Å; I147-A151 PolarHBondContact O-N 2.9Å; V148-A151 PolarHBondContact O-N 3.12Å; A151-Y154 PolarHBondContact O-N 2.91Å; A151-K155 VanDerWaalsContact O-CB 3.3Å; A151-K155 WeakPolarHBondContact O-CB 3.42Å; A151-K155 PolarHBondContact O-N 3.44Å; A151-M302 HydrophobicContact CB-CE 3.56Å; A151-M302 HydrophobicContact CB-SD 4.1Å
152L85.4Confident81.5Confident111 Ų11186 Ų8658%0.58145%0.445SS*.Hα-helixtrans-65.5-44.2175.5-71.9172.8000111.9V148 K149 Y154 K155 K156V148-L152 HydrophobicContact CG1-CD1 3.92Å; V148-L152 HydrophobicContact CG1-CG 4.29Å; V148-L152 WeakPolarHBondContact O-CB 3.44Å; V148-L152 VanDerWaalsContact O-CG 3.32Å; V148-L152 WeakPolarHBondContact O-CG 3.32Å; V148-L152 PolarHBondContact O-N 2.99Å; K149-L152 PolarHBondContact O-N 2.92Å; L152-Y154 VanDerWaalsContact C-N 3.34Å; L152-Y154 PolarHBondContact O-N 3.22Å; L152-K155 PolarHBondContact O-N 3.16Å; L152-K156 WeakPolarHBondContact O-CB 3.48Å; L152-K156 PolarHBondContact O-N 2.96Å
153A86.1Confident82.9Confident64 Ų6488 Ų8853%0.52945%0.452SS..Hα-helixtrans-62.4-42.4176.100000111.7K149 R150 K156 F157K149-A153 WeakPolarHBondContact O-CB 3.4Å; K149-A153 PolarHBondContact O-N 2.93Å; R150-A153 PolarHBondContact O-N 3.41Å; A153-K156 PolarHBondContact O-N 3.07Å; A153-F157 WeakPolarHBondContact O-CB 3.29Å; A153-F157 PolarHBondContact O-N 3.16Å
154Y84.9Confident83.9Confident47 Ų4784.8 Ų84.818%0.18445%0.447CS..Hα-helixtrans-66-43.5176.4-179.9-109.3000112.1R150 A151 L152 F157 V158 I296 M297 P299 M302R150-Y154 VanDerWaalsContact O-CB 3.29Å; R150-Y154 WeakPolarHBondContact O-CB 3.44Å; R150-Y154 PolarHBondContact O-N 3.25Å; A151-Y154 PolarHBondContact O-N 2.91Å; L152-Y154 VanDerWaalsContact C-N 3.34Å; L152-Y154 PolarHBondContact O-N 3.22Å; Y154-F157 HydrophobicContact CD2-CD1 4.33Å; Y154-F157 HydrophobicContact CE2-CD1 4.39Å; Y154-F157 WeakPolarHBondContact O-CB 3.49Å; Y154-F157 PolarHBondContact O-N 3.29Å; Y154-V158 HydrophobicContact CD1-CG2 4.31Å; Y154-V158 HydrophobicContact CD2-CG2 4.38Å; Y154-V158 HydrophobicContact CE1-CG2 3.88Å; Y154-V158 HydrophobicContact CE2-CG2 3.96Å; Y154-V158 WeakPolarHBondContact O-CG2 3.49Å; Y154-V158 PolarHBondContact O-N 3.09Å; Y154-I296 HydrophobicContact CE2-CG2 3.91Å; Y154-I296 WeakPolarHBondContact OH-CG2 3.37Å; Y154-M297 WeakPolarHBondContact CE2-O 3.43Å; Y154-P299 VanDerWaalsContact CD2-CD 3.46Å; Y154-P299 HydrophobicContact CD2-CG 3.79Å; Y154-P299 HydrophobicContact CG-CG 3.96Å; Y154-M302 HydrophobicContact CD1-CE 4.3Å
155K86.6Confident84.6Confident128 Ų12885 Ų8556%0.55744%0.443SS*.Hα-helixtrans-59.4-49.1175.6-178.5177.5176.8-177.40111A151 L152 F157 V158 D159A151-K155 VanDerWaalsContact O-CB 3.3Å; A151-K155 WeakPolarHBondContact O-CB 3.42Å; A151-K155 PolarHBondContact O-N 3.44Å; L152-K155 PolarHBondContact O-N 3.16Å; K155-F157 VanDerWaalsContact C-N 3.3Å; K155-F157 PolarHBondContact O-N 3.49Å; K155-V158 PolarHBondContact O-N 2.95Å; K155-V158 VanDerWaalsContact O-N 3.09Å; K155-D159 WeakPolarHBondContact O-CB 3.47Å; K155-D159 PolarHBondContact O-N 3.19Å
156K89.3Confident85.1Confident142 Ų14282.5 Ų82.562%0.61742%0.418SS*.Hα-helixtrans-56.7-45.8176-176.1177.2178.5179.40111.6L152 A153 V158 D159 D160L152-K156 WeakPolarHBondContact O-CB 3.48Å; L152-K156 PolarHBondContact O-N 2.96Å; A153-K156 PolarHBondContact O-N 3.07Å; K156-V158 VanDerWaalsContact C-N 3.32Å; K156-V158 PolarHBondContact O-N 3.39Å; K156-D159 PolarHBondContact O-N 3.44Å; K156-D160 VanDerWaalsContact O-CG 3.26Å; K156-D160 PolarHBondContact O-N 3.25Å
157F88.6Confident85.6Confident99 Ų9980.9 Ų80.943%0.43441%0.413SS..Hα-helixtrans-58.1-43.2175.4166.1-101000112.4A153 Y154 K155 D160 I161 I296A153-F157 WeakPolarHBondContact O-CB 3.29Å; A153-F157 PolarHBondContact O-N 3.16Å; Y154-F157 HydrophobicContact CD2-CD1 4.33Å; Y154-F157 HydrophobicContact CE2-CD1 4.39Å; Y154-F157 WeakPolarHBondContact O-CB 3.49Å; Y154-F157 PolarHBondContact O-N 3.29Å; K155-F157 VanDerWaalsContact C-N 3.3Å; K155-F157 PolarHBondContact O-N 3.49Å; F157-D160 PolarHBondContact O-N 2.97Å; F157-I161 HydrophobicContact CD1-CD1 4.44Å; F157-I161 HydrophobicContact CE1-CD1 3.89Å; F157-I161 HydrophobicContact CZ-CD1 4.02Å; F157-I161 WeakPolarHBondContact O-CG1 3.46Å; F157-I296 HydrophobicContact CE1-CG1 4.23Å; F157-I296 HydrophobicContact CE1-CG2 4.32Å
158V86.8Confident86.2Confident32 Ų3282.9 Ų82.919%0.19442%0.424CS..Hα-helixtrans-68.3-39.8177.8170.30000111.5Y154 K155 K156 D160 I161 F163Y154-V158 HydrophobicContact CD1-CG2 4.31Å; Y154-V158 HydrophobicContact CD2-CG2 4.38Å; Y154-V158 HydrophobicContact CE1-CG2 3.88Å; Y154-V158 HydrophobicContact CE2-CG2 3.96Å; Y154-V158 WeakPolarHBondContact O-CG2 3.49Å; Y154-V158 PolarHBondContact O-N 3.09Å; K155-V158 PolarHBondContact O-N 2.95Å; K155-V158 VanDerWaalsContact O-N 3.09Å; K156-V158 VanDerWaalsContact C-N 3.32Å; K156-V158 PolarHBondContact O-N 3.39Å; V158-D160 PolarHBondContact O-N 3.44Å; V158-I161 WeakPolarHBondContact O-CB 3.29Å; V158-I161 PolarHBondContact O-N 3.14Å; V158-I161 VanDerWaalsContact O-N 3.08Å; V158-F163 HydrophobicContact CG1-CE2 4.05Å; V158-F163 HydrophobicContact CG1-CZ 3.97Å; V158-F163 WeakPolarHBondContact O-CE2 3.49Å
159D89Confident86.3Confident110 Ų11080.9 Ų80.959%0.58841%0.413SS*.Hα-helixtrans-64.8-30178.5-67.7-19000111.7K155 K156 I161K155-D159 WeakPolarHBondContact O-CB 3.47Å; K155-D159 PolarHBondContact O-N 3.19Å; K156-D159 PolarHBondContact O-N 3.44Å; D159-I161 PolarHBondContact O-N 2.97Å
160D90.9Very high86.3Confident122 Ų12274.3 Ų74.365%0.65239%0.385SS*.THydrogen-bonded Turntrans-74.9-8.6175.3-67.8-25.1000113.1K156 F157 V158K156-D160 VanDerWaalsContact O-CG 3.26Å; K156-D160 PolarHBondContact O-N 3.25Å; F157-D160 PolarHBondContact O-N 2.97Å; V158-D160 PolarHBondContact O-N 3.44Å
161I88.9Confident86.6Confident29 Ų2970.9 Ų70.915%0.14937%0.373CS..SBendtrans-82.9121179.5-62.6173.8000110.2F157 V158 D159 F163 Y166 M270 I296F157-I161 HydrophobicContact CD1-CD1 4.44Å; F157-I161 HydrophobicContact CE1-CD1 3.89Å; F157-I161 HydrophobicContact CZ-CD1 4.02Å; F157-I161 WeakPolarHBondContact O-CG1 3.46Å; V158-I161 WeakPolarHBondContact O-CB 3.29Å; V158-I161 PolarHBondContact O-N 3.14Å; V158-I161 VanDerWaalsContact O-N 3.08Å; D159-I161 PolarHBondContact O-N 2.97Å; I161-F163 HydrophobicContact CB-CD2 4.4Å; I161-F163 HydrophobicContact CB-CE2 3.98Å; I161-F163 HydrophobicContact CB-CZ 4.15Å; I161-F163 HydrophobicContact CG2-CD1 4.3Å; I161-F163 HydrophobicContact CG2-CD2 4.3Å; I161-F163 HydrophobicContact CG2-CE1 4.14Å; I161-F163 HydrophobicContact CG2-CE2 4.14Å; I161-F163 HydrophobicContact CG2-CG 4.38Å; I161-F163 HydrophobicContact CG2-CZ 4.05Å; I161-F163 VanDerWaalsContact O-CD2 3.24Å; I161-F163 WeakPolarHBondContact O-CD2 3.35Å; I161-F163 PolarHBondContact O-N 3.32Å; I161-Y166 HydrophobicContact CG2-CE2 4.1Å; I161-M270 HydrophobicContact CG2-CE 3.98Å; I161-I296 HydrophobicContact CD1-CD1 3.47Å; I161-I296 VanDerWaalsContact CD1-CD1 3.47Å; I161-I296 HydrophobicContact CD1-CG1 3.59Å
162D89.1Confident86.8Confident74 Ų7469.6 Ų69.640%0.39636%0.362SS..  trans-74.192.9169.6177.813.2000111.1S164 K165 Y166D162-S164 VanDerWaalsContact CG-OG 3.27Å; D162-S164 PolarHBondContact O-N 3.5Å; D162-S164 VanDerWaalsContact OD1-CB 3.24Å; D162-S164 WeakPolarHBondContact OD1-CB 3.25Å; D162-S164 PolarHBondContact OD1-N 3.44Å; D162-S164 PolarHBondContact OD1-OG 3.26Å; D162-S164 PolarHBondContact OD2-OG 3.05Å; D162-K165 HydrophobicContact CB-CD 4.19Å; D162-K165 HydrophobicContact CB-CG 4.49Å; D162-K165 PolarHBondContact O-N 3.1Å; D162-K165 WeakPolarHBondContact OD2-CE 3.41Å; D162-K165 IonicContact OD2-NZ 3.43Å; D162-Y166 WeakPolarHBondContact O-CE2 3.43Å
163F87.9Confident86.9Confident83 Ų8365.1 Ų65.136%0.36434%0.341SS..G310 helixtrans-67.2-14.5179.4-74.5-76.8000114.3V158 I161 K165 Y166 M171 I296V158-F163 HydrophobicContact CG1-CE2 4.05Å; V158-F163 HydrophobicContact CG1-CZ 3.97Å; V158-F163 WeakPolarHBondContact O-CE2 3.49Å; I161-F163 HydrophobicContact CB-CD2 4.4Å; I161-F163 HydrophobicContact CB-CE2 3.98Å; I161-F163 HydrophobicContact CB-CZ 4.15Å; I161-F163 HydrophobicContact CG2-CD1 4.3Å; I161-F163 HydrophobicContact CG2-CD2 4.3Å; I161-F163 HydrophobicContact CG2-CE1 4.14Å; I161-F163 HydrophobicContact CG2-CE2 4.14Å; I161-F163 HydrophobicContact CG2-CG 4.38Å; I161-F163 HydrophobicContact CG2-CZ 4.05Å; I161-F163 VanDerWaalsContact O-CD2 3.24Å; I161-F163 WeakPolarHBondContact O-CD2 3.35Å; I161-F163 PolarHBondContact O-N 3.32Å; F163-K165 PolarHBondContact O-N 3.21Å; F163-K165 VanDerWaalsContact O-N 3.16Å; F163-Y166 HydrophobicContact CD1-CD2 4.42Å; F163-Y166 PolarHBondContact O-N 3.42Å; F163-Y166 VanDerWaalsContact O-N 3.13Å; F163-M171 HydrophobicContact CD1-CE 3.47Å; F163-M171 VanDerWaalsContact CD1-CE 3.47Å; F163-M171 HydrophobicContact CD1-SD 4.33Å; F163-M171 HydrophobicContact CE1-CE 3.53Å; F163-I296 HydrophobicContact CE1-CD1 4.39Å; F163-I296 HydrophobicContact CZ-CD1 4.41Å
164S86.8Confident86.8Confident90 Ų9062.3 Ų62.363%0.62932%0.316SS*.G310 helixtrans-64.4-20.8179.175.80000113.2D162 Y166D162-S164 VanDerWaalsContact CG-OG 3.27Å; D162-S164 PolarHBondContact O-N 3.5Å; D162-S164 VanDerWaalsContact OD1-CB 3.24Å; D162-S164 WeakPolarHBondContact OD1-CB 3.25Å; D162-S164 PolarHBondContact OD1-N 3.44Å; D162-S164 PolarHBondContact OD1-OG 3.26Å; D162-S164 PolarHBondContact OD2-OG 3.05Å; S164-Y166 PolarHBondContact O-N 3.15Å
165K86.8Confident86.8Confident110 Ų11060.6 Ų60.648%0.47831%0.311SS..G310 helixtrans-67.5-20.4176.5-64.9172.1-178.8163.70113.4D162 F163D162-K165 HydrophobicContact CB-CD 4.19Å; D162-K165 HydrophobicContact CB-CG 4.49Å; D162-K165 PolarHBondContact O-N 3.1Å; D162-K165 WeakPolarHBondContact OD2-CE 3.41Å; D162-K165 IonicContact OD2-NZ 3.43Å; F163-K165 PolarHBondContact O-N 3.21Å; F163-K165 VanDerWaalsContact O-N 3.16Å
166Y87.8Confident86.6Confident24 Ų2457.4 Ų57.49%0.09430%0.298CS..EExtended strand (participates in β ladder)trans-112.8144.5-172.5-46.1-78.8000111I161 D162 F163 S164 R268 G269 M270 D294I161-Y166 HydrophobicContact CG2-CE2 4.1Å; D162-Y166 WeakPolarHBondContact O-CE2 3.43Å; F163-Y166 HydrophobicContact CD1-CD2 4.42Å; F163-Y166 PolarHBondContact O-N 3.42Å; F163-Y166 VanDerWaalsContact O-N 3.13Å; S164-Y166 PolarHBondContact O-N 3.15Å; Y166-R268 HydrophobicContact CD1-CB 3.99Å; Y166-R268 HydrophobicContact CE1-CB 3.83Å; Y166-G269 WeakPolarHBondContact CE1-O 3.4Å; Y166-M270 HydrophobicContact CD1-CB 3.77Å; Y166-M270 HydrophobicContact CD2-CE 4.14Å; Y166-M270 HydrophobicContact CE1-CB 4.06Å; Y166-M270 HydrophobicContact CE1-CE 3.95Å; Y166-M270 HydrophobicContact CE2-CE 3.47Å; Y166-M270 VanDerWaalsContact CE2-CE 3.47Å; Y166-M270 HydrophobicContact CG-CB 4.05Å; Y166-D294 HydrophobicContact CE1-CB 4.09Å; Y166-D294 VanDerWaalsContact CE1-OD2 3.27Å; Y166-D294 WeakPolarHBondContact CE1-OD2 2.91Å; Y166-D294 VanDerWaalsContact CZ-OD2 3.31Å; Y166-D294 WeakPolarHBondContact OH-CB 3.26Å; Y166-D294 VanDerWaalsContact OH-CG 3.26Å; Y166-D294 PolarHBondContact OH-OD2 3.5Å
167S86.3Confident86.4Confident32 Ų3250.9 Ų50.922%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-89.7149.1163.6-76.20000109.6C169 N170 M171 K267S167-C169 VanDerWaalsContact CB-SG 3.59Å; S167-C169 PolarHBondContact O-N 3.42Å; S167-C169 VanDerWaalsContact O-N 3.16Å; S167-N170 CarbonylContact O-C 3.56Å; S167-N170 WeakPolarHBondContact O-CA 3.04Å; S167-N170 PolarHBondContact O-N 3.42Å; S167-M171 WeakPolarHBondContact O-CG 3.36Å; S167-M171 PolarHBondContact O-N 2.85Å; S167-K267 WeakPolarHBondContact OG-CD 3.35Å
168L84.3Confident86.3Confident103 Ų10347.6 Ų47.654%0.53926%0.26SS..EExtended strand (participates in β ladder)trans-54.2-36.5177-60.6178.7000112.8N170 M171 L216 D217L168-N170 PolarHBondContact O-N 3.3Å; L168-M171 HydrophobicContact CD2-SD 4.43Å; L168-M171 PolarHBondContact O-N 3.38Å; L168-L216 HydrophobicContact CD2-CB 4.42Å; L168-L216 HydrophobicContact CD2-CD2 3.66Å; L168-L216 HydrophobicContact CD2-CG 4.03Å; L168-L216 PolarHBondContact O-N 2.95Å; L168-D217 HydrophobicContact CB-CB 4.16Å
169C81.6Confident86.3Confident42 Ų4246 Ų4628%0.28425%0.251SS..EExtended strand (participates in β ladder)trans-70.7-13.3176.160.20000114.7S167 R215 D217S167-C169 VanDerWaalsContact CB-SG 3.59Å; S167-C169 PolarHBondContact O-N 3.42Å; S167-C169 VanDerWaalsContact O-N 3.16Å; C169-R215 WeakPolarHBondContact O-CD 3.36Å; C169-D217 VanDerWaalsContact CA-OD2 3.25Å; C169-D217 WeakPolarHBondContact CA-OD2 3.26Å; C169-D217 WeakPolarHBondContact CB-OD2 3.44Å
170N83.3Confident86Confident3 Ų343.9 Ų43.92%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-107.81.4177.1-69.6-11.5000112.2S167 L168 R264 K267 G269 M270S167-N170 CarbonylContact O-C 3.56Å; S167-N170 WeakPolarHBondContact O-CA 3.04Å; S167-N170 PolarHBondContact O-N 3.42Å; L168-N170 PolarHBondContact O-N 3.3Å; N170-R264 PolarHBondContact OD1-O 2.93Å; N170-K267 PolarHBondContact ND2-O 3.33Å; N170-G269 WeakPolarHBondContact O-CA 3.41Å; N170-M270 PolarHBondContact O-N 3.5Å
171M86.8Confident85.6Confident13 Ų1338.5 Ų38.56%0.06421%0.208CC..EExtended strand (participates in β ladder)trans-97119.3172.5-63.5-179.469.600109F163 S167 L168 R215 L216 M270F163-M171 HydrophobicContact CD1-CE 3.47Å; F163-M171 VanDerWaalsContact CD1-CE 3.47Å; F163-M171 HydrophobicContact CD1-SD 4.33Å; F163-M171 HydrophobicContact CE1-CE 3.53Å; S167-M171 WeakPolarHBondContact O-CG 3.36Å; S167-M171 PolarHBondContact O-N 2.85Å; L168-M171 HydrophobicContact CD2-SD 4.43Å; L168-M171 PolarHBondContact O-N 3.38Å; M171-R215 CarbonylContact O-C 3.57Å; M171-R215 VanDerWaalsContact O-CA 3.31Å; M171-R215 WeakPolarHBondContact O-CA 3.36Å; M171-L216 HydrophobicContact CB-CB 3.87Å; M171-L216 HydrophobicContact CB-CD2 4.28Å; M171-L216 HydrophobicContact CE-CD2 3.66Å; M171-L216 PolarHBondContact O-N 3.23Å; M171-L216 HydrophobicContact SD-CD2 3.62Å; M171-M270 CarbonylContact C-O 3.58Å; M171-M270 WeakPolarHBondContact CA-O 2.99Å; M171-M270 HydrophobicContact CB-CB 4.42Å; M171-M270 HydrophobicContact CE-CG 4.5Å; M171-M270 HydrophobicContact CG-CB 4Å
172I85.3Confident84.5Confident4 Ų437.3 Ų37.32%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-125.3125.1-166.4-54.7171.4000108.2T213 V262 M263 M270 L271 I272I172-T213 HydrophobicContact CG2-CG2 3.23Å; I172-V262 HydrophobicContact CB-CG1 4.47Å; I172-V262 HydrophobicContact CD1-CB 3.68Å; I172-V262 HydrophobicContact CD1-CG1 3.28Å; I172-V262 HydrophobicContact CG1-CB 4.42Å; I172-V262 HydrophobicContact CG1-CG1 3.49Å; I172-V262 VanDerWaalsContact CG1-CG1 3.49Å; I172-V262 HydrophobicContact CG2-CG1 4.18Å; I172-M263 HydrophobicContact CD1-CG 4.15Å; I172-M270 PolarHBondContact N-O 3.33Å; I172-L271 HydrophobicContact CB-CD1 4.06Å; I172-L271 HydrophobicContact CG2-CD1 3.98Å; I172-L271 CarbonylContact O-C 3.6Å; I172-L271 WeakPolarHBondContact O-CA 3.41Å; I172-I272 PolarHBondContact O-N 3.18Å
173A87Confident83.5Confident17 Ų1737 Ų3714%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-99.5122.7165.200000108.7T213 I214 I272 L304A173-T213 WeakPolarHBondContact O-CA 3.31Å; A173-I214 HydrophobicContact CB-CG2 3.88Å; A173-I214 PolarHBondContact N-O 3.39Å; A173-I214 PolarHBondContact O-N 2.89Å; A173-I272 WeakPolarHBondContact CA-O 3.12Å; A173-L304 HydrophobicContact CB-CD2 3.94Å
174M85.3Confident82.1Confident4 Ų434.7 Ų34.72%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-124.8138178.7-174.6168.273.100109.4I211 L212 T213 I255 L271 I272 W273M174-I211 HydrophobicContact CG-CG2 3.73Å; M174-I211 HydrophobicContact SD-CG2 3.81Å; M174-L212 WeakPolarHBondContact CA-O 3.47Å; M174-T213 HydrophobicContact CB-CG2 4.43Å; M174-I255 HydrophobicContact CE-CG1 4.27Å; M174-I255 HydrophobicContact CE-CG2 4.45Å; M174-L271 HydrophobicContact CB-CD1 4.03Å; M174-L271 HydrophobicContact CE-CD1 4.49Å; M174-L271 HydrophobicContact CE-CD2 4.48Å; M174-I272 PolarHBondContact N-O 3.03Å; M174-W273 HydrophobicContact CE-CD2 4.48Å; M174-W273 HydrophobicContact CE-CE3 3.27Å; M174-W273 HydrophobicContact CE-CZ3 3.41Å; M174-W273 VanDerWaalsContact CE-CZ3 3.41Å; M174-W273 WeakPolarHBondContact O-CA 3.4Å; M174-W273 WeakPolarHBondContact O-CB 3.18Å
175D84.3Confident80.8Confident12 Ų1232.9 Ų32.96%0.06419%0.185CC..EExtended strand (participates in β ladder)trans-145.1151177.1-153.3-4.8000111.7L212 L304 N308D175-L212 PolarHBondContact N-O 3.43Å; D175-L212 PolarHBondContact O-N 3.1Å; D175-L304 VanDerWaalsContact OD2-CB 3.31Å; D175-L304 WeakPolarHBondContact OD2-CB 3.31Å; D175-N308 PolarHBondContact OD2-ND2 3.24Å; D175-N308 PolarHBondContact OD2-OD1 3.27Å
176E83.5Confident79.3Confident61 Ų6135.5 Ų35.529%0.28520%0.199SC..EExtended strand (participates in β ladder)trans-105.6125.3177.6-62.6-169.1-170.400110.2C210 I211 A250E176-C210 WeakPolarHBondContact CA-O 3.3Å; E176-I211 HydrophobicContact CG-CD1 4.49Å; E176-I211 HydrophobicContact CG-CG1 4.21Å; E176-A250 WeakPolarHBondContact OE1-CB 3.36Å
177I83.4Confident77.7Confident4 Ų440.4 Ų40.42%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-126.4130.5-178.5-174.7179.9000111.1V179 C210 L212 F311 K312I177-V179 PolarHBondContact O-N 3.32Å; I177-C210 HydrophobicContact CG2-CB 3.74Å; I177-C210 WeakPolarHBondContact CG2-O 3.49Å; I177-C210 PolarHBondContact N-O 2.96Å; I177-C210 PolarHBondContact O-N 2.76Å; I177-L212 HydrophobicContact CG2-CD1 4.03Å; I177-L212 HydrophobicContact CG2-CG 4.22Å; I177-F311 HydrophobicContact CD1-CD1 3.77Å; I177-F311 HydrophobicContact CD1-CE1 4Å; I177-F311 HydrophobicContact CG2-CD1 4.49Å; I177-F311 HydrophobicContact CG2-CE1 4.11Å; I177-K312 HydrophobicContact CD1-CD 3.91Å; I177-K312 HydrophobicContact CD1-CG 3.41Å; I177-K312 VanDerWaalsContact CD1-CG 3.41Å
178A86.5Confident76.2Confident30 Ų3043.1 Ų43.125%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-75.4122168.200000110.4F180A178-F180 HydrophobicContact CB-CD2 4.31Å; A178-F180 HydrophobicContact CB-CE2 3.67Å; A178-F180 HydrophobicContact CB-CZ 4Å
179V87.6Confident75Confident0 Ų046.5 Ų46.50%026%0.264CS..EExtended strand (participates in β ladder)trans-98.1108.2171.5173.20000107.8I177 R207 V208 C210 L315 I343 V347I177-V179 PolarHBondContact O-N 3.32Å; V179-R207 CarbonylContact O-C 3.57Å; V179-R207 WeakPolarHBondContact O-CA 3.5Å; V179-R207 WeakPolarHBondContact O-CB 3.33Å; V179-V208 HydrophobicContact CB-CG2 3.74Å; V179-V208 HydrophobicContact CG1-CG2 4.12Å; V179-V208 HydrophobicContact CG2-CG2 4.48Å; V179-V208 PolarHBondContact N-O 3.43Å; V179-V208 PolarHBondContact O-N 3.45Å; V179-C210 HydrophobicContact CG2-CB 3.8Å; V179-L315 HydrophobicContact CB-CD2 4.35Å; V179-L315 HydrophobicContact CG1-CD1 4.31Å; V179-L315 HydrophobicContact CG1-CD2 4.02Å; V179-L315 HydrophobicContact CG2-CD2 3.87Å; V179-I343 HydrophobicContact CG1-CG2 4.07Å; V179-V347 HydrophobicContact CG2-CG2 4.21Å
180F83.7Confident73.7Confident64 Ų6448.9 Ų48.928%0.28127%0.274SS..EExtended strand (participates in β ladder)trans-86133.1-179.9-68.3-87000110.6A178 Q183 E204 A206 R207 I319A178-F180 HydrophobicContact CB-CD2 4.31Å; A178-F180 HydrophobicContact CB-CE2 3.67Å; A178-F180 HydrophobicContact CB-CZ 4Å; F180-Q183 HydrophobicContact CB-CB 3.7Å; F180-Q183 HydrophobicContact CG-CB 4.46Å; F180-E204 VanDerWaalsContact CD1-O 3.25Å; F180-E204 WeakPolarHBondContact CD1-O 3.49Å; F180-A206 WeakPolarHBondContact CA-O 3.45Å; F180-R207 HydrophobicContact CD1-CB 3.92Å; F180-R207 HydrophobicContact CE1-CB 4.11Å; F180-R207 HydrophobicContact CG-CB 4.4Å; F180-I319 WeakPolarHBondContact O-CD1 3.36Å
181M81.2Confident72.3Confident10 Ų1060.3 Ų60.35%0.04932%0.317CS..SBendtrans-80-27.2-171.9-60.7174.9-171.700113.2A206 V208 K337 P338 I343M181-A206 HydrophobicContact CB-CB 4.27Å; M181-A206 HydrophobicContact CG-CB 4.28Å; M181-A206 WeakPolarHBondContact CG-O 3.35Å; M181-A206 PolarHBondContact N-O 2.99Å; M181-A206 HydrophobicContact SD-CB 3.7Å; M181-V208 HydrophobicContact CE-CG1 3.55Å; M181-K337 HydrophobicContact SD-CD 4.48Å; M181-K337 WeakPolarHBondContact SD-CE 3.4Å; M181-K337 HydrophobicContact SD-CG 4.33Å; M181-P338 HydrophobicContact CB-CG 4.22Å; M181-I343 HydrophobicContact CE-CD1 3.66Å; M181-I343 HydrophobicContact CG-CD1 3.73Å; M181-I343 HydrophobicContact SD-CD1 3.85Å
182G66.1Low70.3Confident4 Ų463.9 Ų63.94%0.04136%0.357CS..SBendtrans-1194.8-174.600000115A184 T201 Y203G182-A184 PolarHBondContact O-N 3.2Å; G182-T201 WeakPolarHBondContact CA-OG1 3.22Å; G182-T201 PolarHBondContact O-OG1 3.48Å; G182-T201 VanDerWaalsContact O-OG1 3.08Å; G182-Y203 PolarHBondContact N-O 2.94Å
183Q67.7Low68.8Low67 Ų6766.1 Ų66.131%0.31338%0.377SS..  trans-94.290.9-175.2-166177.7-4.300110.7F180F180-Q183 HydrophobicContact CB-CB 3.7Å; F180-Q183 HydrophobicContact CG-CB 4.46Å
184A59Low67.3Low35 Ų3571.6 Ų71.629%0.28941%0.414SS..  trans-69.7-178.3167.800000111.9G182 Q186 N320 I323G182-A184 PolarHBondContact O-N 3.2Å; A184-Q186 PolarHBondContact O-N 3.43Å; A184-N320 WeakPolarHBondContact CA-OD1 3.28Å; A184-N320 WeakPolarHBondContact CB-OD1 3.24Å; A184-I323 HydrophobicContact CB-CD1 3.81Å
185A58.8Low65.9Low51 Ų5176.1 Ų76.142%0.42145%0.446SS..  trans-51.7131.1171.800000111.8N320A185-N320 PolarHBondContact N-OD1 3.25Å
186Q55.3Low64.7Low165 Ų16578.1 Ų78.177%0.77146%0.458SS*.SBendtrans-88.9-3.9-178.2-67-165.3-32.300113.9A184A184-Q186 PolarHBondContact O-N 3.43Å
187T54.8Low63.8Low128 Ų12884.7 Ų84.779%0.78548%0.482SS*.  trans-115.5122.9179.351.40000108.5
188T55Low62.8Low89 Ų8989.3 Ų89.355%0.54651%0.51SS..  trans-125.6152.2176.5-169.80000109.7V196T188-V196 HydrophobicContact CG2-CB 3.65Å; T188-V196 HydrophobicContact CG2-CG1 3.89Å; T188-V196 HydrophobicContact CG2-CG2 3.79Å
189I59.4Low61.6Low173 Ų17391.1 Ų91.189%0.88752%0.519SS*.  trans-101.6122.5179-60.6174.4000107.5
190D54.5Low60.6Low93 Ų9394.4 Ų94.450%0.49754%0.542SS..  trans-142.6159.6175.5-167.815.2000110.7G192 V196D190-G192 PolarHBondContact O-N 3.15Å; D190-V196 HydrophobicContact CB-CG1 4.41Å; D190-V196 HydrophobicContact CB-CG2 3.35Å; D190-V196 WeakPolarHBondContact OD2-CG2 3.44Å
191R54.2Low59.8Low242 Ų24291.8 Ų91.891%0.91353%0.531SS*.SBendtrans-80.2100.5-177-71.1-176.3176174.2-0.3111.1A193R191-A193 PolarHBondContact O-N 2.88Å; R191-A193 VanDerWaalsContact O-N 3.12Å
192G44.6Very low59.4Low88 Ų8894.7 Ų94.791%0.90756%0.557SS**SBendtrans72.14.9161.100000116.6D190D190-G192 PolarHBondContact O-N 3.15Å
193A52.2Low59.7Low52 Ų5297.7 Ų97.743%0.4357%0.568SS.*  trans-85.1136.2174.700000111.3R191 S195R191-A193 PolarHBondContact O-N 2.88Å; R191-A193 VanDerWaalsContact O-N 3.12Å; A193-S195 PolarHBondContact O-N 3.33Å
194S56.1Low59.7Low132 Ų13297.7 Ų97.792%0.92357%0.568SS**SBendtrans-72.1-16.9172.756.10000113.2
195S56.3Low60.3Low98 Ų98100.9 Ų100.969%0.68559%0.588SS**SBendtrans-153.6133.9177.658.30000110.5A193A193-S195 PolarHBondContact O-N 3.33Å
196V59.2Low61.4Low55 Ų5599.5 Ų99.533%0.33358%0.577SS.*  trans-108.8130.2178.9-1750000108.6T188 D190 V198T188-V196 HydrophobicContact CG2-CB 3.65Å; T188-V196 HydrophobicContact CG2-CG1 3.89Å; T188-V196 HydrophobicContact CG2-CG2 3.79Å; D190-V196 HydrophobicContact CB-CG1 4.41Å; D190-V196 HydrophobicContact CB-CG2 3.35Å; D190-V196 WeakPolarHBondContact OD2-CG2 3.44Å; V196-V198 PolarHBondContact O-N 3.47Å
197Y63.5Low62.8Low199 Ų19998.6 Ų98.678%0.7857%0.566SS**  trans-75.5117.7175.4178.9-103.4000110.1P199Y197-P199 HydrophobicContact CD1-CG 4.45Å; Y197-P199 HydrophobicContact CE1-CB 4.36Å; Y197-P199 HydrophobicContact CE1-CG 3.88Å
198V63.5Low64.4Low101 Ų10192.6 Ų92.661%0.61253%0.529SS*.  trans-113.8120.2170-178.20000107.2V196 S200V196-V198 PolarHBondContact O-N 3.47Å; V198-S200 PolarHBondContact O-N 3.38Å
199P61.6Low65.9Low68 Ų6889 Ų8944%0.44251%0.508SS..  trans-55.9132.1178.5-23.831.7000111.5Y197Y197-P199 HydrophobicContact CD1-CG 4.45Å; Y197-P199 HydrophobicContact CE1-CB 4.36Å; Y197-P199 HydrophobicContact CE1-CG 3.88Å
200S65.4Low67.3Low68 Ų6880.8 Ų80.848%0.47647%0.466SS..  trans-66.4138.5175.3170.30000110.7V198 A202 E204 F335V198-S200 PolarHBondContact O-N 3.38Å; S200-A202 PolarHBondContact O-N 2.67Å; S200-A202 PolarHBondContact OG-N 3.07Å; S200-E204 VanDerWaalsContact C-OE1 3.3Å; S200-E204 WeakPolarHBondContact CA-OE1 2.81Å; S200-E204 WeakPolarHBondContact CB-OE1 3.46Å; S200-E204 PolarHBondContact OG-OE1 2.97Å; S200-E204 PolarHBondContact OG-OE2 2.79Å; S200-F335 WeakPolarHBondContact O-CD2 3.47Å
201T66.8Low68.8Low9 Ų976.4 Ų76.46%0.05544%0.442CS..  trans-77.7-8.1170.8590000112.4G182 Y203 E204 I323 M327G182-T201 WeakPolarHBondContact CA-OG1 3.22Å; G182-T201 PolarHBondContact O-OG1 3.48Å; G182-T201 VanDerWaalsContact O-OG1 3.08Å; T201-Y203 WeakPolarHBondContact O-CD2 3.43Å; T201-Y203 PolarHBondContact O-N 2.93Å; T201-Y203 VanDerWaalsContact O-N 3.13Å; T201-E204 PolarHBondContact N-OE1 3.48Å; T201-E204 PolarHBondContact OG1-OE1 3.42Å; T201-I323 HydrophobicContact CG2-CD1 4.34Å; T201-M327 HydrophobicContact CG2-CE 3.94Å; T201-M327 HydrophobicContact CG2-SD 3.98Å
202A72.6Confident70.4Confident72 Ų7264.9 Ų64.960%0.59540%0.399SS*.SBendtrans61.54.3-17100000115S200 E204S200-A202 PolarHBondContact O-N 2.67Å; S200-A202 PolarHBondContact OG-N 3.07Å; A202-E204 WeakPolarHBondContact CA-OE2 3.37Å; A202-E204 PolarHBondContact N-OE1 2.82Å; A202-E204 PolarHBondContact N-OE2 2.87Å
203Y74.2Confident72.4Confident66 Ų6660.9 Ų60.926%0.25936%0.356SS..  trans-124.420.1-177.9-60-65000112.7G182 T201 S205 A206 M327 F335 K337G182-Y203 PolarHBondContact N-O 2.94Å; T201-Y203 WeakPolarHBondContact O-CD2 3.43Å; T201-Y203 PolarHBondContact O-N 2.93Å; T201-Y203 VanDerWaalsContact O-N 3.13Å; Y203-S205 PolarHBondContact O-N 3.37Å; Y203-A206 HydrophobicContact CD1-CB 4.43Å; Y203-A206 WeakPolarHBondContact O-CB 2.75Å; Y203-A206 PolarHBondContact O-N 3.39Å; Y203-M327 HydrophobicContact CD2-CE 4.42Å; Y203-F335 WeakPolarHBondContact CE2-O 3.5Å; Y203-K337 HydrophobicContact CD1-CB 4.23Å; Y203-K337 HydrophobicContact CD1-CG 4.1Å; Y203-K337 HydrophobicContact CD2-CB 4.39Å; Y203-K337 HydrophobicContact CE1-CB 3.75Å; Y203-K337 HydrophobicContact CE1-CD 4.4Å; Y203-K337 HydrophobicContact CE1-CG 4.04Å; Y203-K337 VanDerWaalsContact CE2-CA 3.48Å; Y203-K337 HydrophobicContact CE2-CB 3.92Å; Y203-K337 VanDerWaalsContact CE2-N 3.26Å; Y203-K337 HydrophobicContact CG-CG 4.44Å; Y203-K337 PolarHBondContact OH-N 3.46Å
204E67.4Low74Confident67 Ų6760.2 Ų60.231%0.31335%0.345SS..THydrogen-bonded Turntrans-62.9-29.4-179.5-62.282.8174.600112.5F180 S200 T201 A202F180-E204 VanDerWaalsContact CD1-O 3.25Å; F180-E204 WeakPolarHBondContact CD1-O 3.49Å; S200-E204 VanDerWaalsContact C-OE1 3.3Å; S200-E204 WeakPolarHBondContact CA-OE1 2.81Å; S200-E204 WeakPolarHBondContact CB-OE1 3.46Å; S200-E204 PolarHBondContact OG-OE1 2.97Å; S200-E204 PolarHBondContact OG-OE2 2.79Å; T201-E204 PolarHBondContact N-OE1 3.48Å; T201-E204 PolarHBondContact OG1-OE1 3.42Å; A202-E204 WeakPolarHBondContact CA-OE2 3.37Å; A202-E204 PolarHBondContact N-OE1 2.82Å; A202-E204 PolarHBondContact N-OE2 2.87Å
205S71.3Confident75.5Confident102 Ų10256 Ų5671%0.71331%0.309SS*.THydrogen-bonded Turntrans-90.6-12.717663.40000113.4Y203 R207Y203-S205 PolarHBondContact O-N 3.37Å; S205-R207 PolarHBondContact O-N 2.97Å
206A80.9Confident76.9Confident23 Ų2356.2 Ų56.219%0.1930%0.302CS..  trans-73.8125.6178.800000109.3F180 M181 Y203F180-A206 WeakPolarHBondContact CA-O 3.45Å; M181-A206 HydrophobicContact CB-CB 4.27Å; M181-A206 HydrophobicContact CG-CB 4.28Å; M181-A206 WeakPolarHBondContact CG-O 3.35Å; M181-A206 PolarHBondContact N-O 2.99Å; M181-A206 HydrophobicContact SD-CB 3.7Å; Y203-A206 HydrophobicContact CD1-CB 4.43Å; Y203-A206 WeakPolarHBondContact O-CB 2.75Å; Y203-A206 PolarHBondContact O-N 3.39Å
207R86Confident78.1Confident145 Ų14556.8 Ų56.855%0.54730%0.303SS..EExtended strand (participates in β ladder)trans-140.8154.3-175.664.2-179.6-178.1154.73.3112.7V179 F180 S205V179-R207 CarbonylContact O-C 3.57Å; V179-R207 WeakPolarHBondContact O-CA 3.5Å; V179-R207 WeakPolarHBondContact O-CB 3.33Å; F180-R207 HydrophobicContact CD1-CB 3.92Å; F180-R207 HydrophobicContact CE1-CB 4.11Å; F180-R207 HydrophobicContact CG-CB 4.4Å; S205-R207 PolarHBondContact O-N 2.97Å
208V87.8Confident79.1Confident2 Ų249.6 Ų49.61%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-113150.8159.4-600000108.7V179 M181 L225 A227 L340 I343V179-V208 HydrophobicContact CB-CG2 3.74Å; V179-V208 HydrophobicContact CG1-CG2 4.12Å; V179-V208 HydrophobicContact CG2-CG2 4.48Å; V179-V208 PolarHBondContact N-O 3.43Å; V179-V208 PolarHBondContact O-N 3.45Å; M181-V208 HydrophobicContact CE-CG1 3.55Å; V208-L225 HydrophobicContact CG2-CD2 3.93Å; V208-A227 HydrophobicContact CG1-CB 4.09Å; V208-L340 HydrophobicContact CG1-CD1 4.39Å; V208-I343 HydrophobicContact CG1-CD1 4.49Å; V208-I343 HydrophobicContact CG2-CG2 3.73Å
209T86.5Confident80.1Confident15 Ų1547.8 Ų47.89%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-90.3129.8173.7-55.80000107.6L225 I226 A248T209-L225 CarbonylContact O-C 3.55Å; T209-L225 WeakPolarHBondContact O-CA 3.45Å; T209-I226 HydrophobicContact CG2-CD1 4.42Å; T209-I226 PolarHBondContact N-O 3.08Å; T209-I226 PolarHBondContact O-N 3.1Å; T209-A248 PolarHBondContact OG1-O 3.19Å
210C87.8Confident81.3Confident0 Ų047.7 Ų47.70%027%0.272CS..EExtended strand (participates in β ladder)trans-114.4133175.7-1760000108.9E176 I177 V179 L224 L225E176-C210 WeakPolarHBondContact CA-O 3.3Å; I177-C210 HydrophobicContact CG2-CB 3.74Å; I177-C210 WeakPolarHBondContact CG2-O 3.49Å; I177-C210 PolarHBondContact N-O 2.96Å; I177-C210 PolarHBondContact O-N 2.76Å; V179-C210 HydrophobicContact CG2-CB 3.8Å; C210-L224 CarbonylContact C-O 3.39Å; C210-L224 WeakPolarHBondContact CA-O 3.39Å; C210-L225 HydrophobicContact CB-CD2 3.52Å
211I86.9Confident82.3Confident1 Ų145.3 Ų45.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-104.3122.2172.3-52-169.4000107.5M174 E176 L224 I226 A250 V254M174-I211 HydrophobicContact CG-CG2 3.73Å; M174-I211 HydrophobicContact SD-CG2 3.81Å; E176-I211 HydrophobicContact CG-CD1 4.49Å; E176-I211 HydrophobicContact CG-CG1 4.21Å; I211-L224 HydrophobicContact CB-CB 4.39Å; I211-L224 HydrophobicContact CD1-CD2 4.35Å; I211-L224 PolarHBondContact N-O 2.9Å; I211-L224 PolarHBondContact O-N 3.28Å; I211-I226 HydrophobicContact CD1-CD1 4.11Å; I211-I226 HydrophobicContact CG1-CD1 4.44Å; I211-A250 HydrophobicContact CD1-CB 3.93Å; I211-V254 HydrophobicContact CD1-CG1 3.39Å
212L87.6Confident83.2Confident0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-109141.8176.5-59.6179.1000109M174 D175 I177 P223 L307 F311 W351M174-L212 WeakPolarHBondContact CA-O 3.47Å; D175-L212 PolarHBondContact N-O 3.43Å; D175-L212 PolarHBondContact O-N 3.1Å; I177-L212 HydrophobicContact CG2-CD1 4.03Å; I177-L212 HydrophobicContact CG2-CG 4.22Å; L212-P223 HydrophobicContact CD2-CB 3.98Å; L212-P223 HydrophobicContact CD2-CG 3.99Å; L212-L307 HydrophobicContact CB-CD2 4.17Å; L212-F311 HydrophobicContact CD1-CB 4.22Å; L212-F311 HydrophobicContact CD1-CD1 3.6Å; L212-F311 HydrophobicContact CD1-CD2 4.03Å; L212-F311 HydrophobicContact CD1-CE1 3.89Å; L212-F311 HydrophobicContact CD1-CE2 4.28Å; L212-F311 HydrophobicContact CD1-CG 3.66Å; L212-F311 HydrophobicContact CD1-CZ 4.21Å; L212-F311 HydrophobicContact CD2-CE2 4.28Å; L212-F311 HydrophobicContact CD2-CZ 4.3Å; L212-W351 HydrophobicContact CB-CH2 4.08Å; L212-W351 HydrophobicContact CB-CZ3 4.05Å; L212-W351 HydrophobicContact CD1-CE3 4.19Å; L212-W351 HydrophobicContact CD1-CZ3 3.91Å; L212-W351 HydrophobicContact CD2-CD2 4.11Å; L212-W351 HydrophobicContact CD2-CE3 3.77Å; L212-W351 HydrophobicContact CD2-CH2 4.44Å; L212-W351 HydrophobicContact CD2-CZ3 3.97Å; L212-W351 HydrophobicContact CG-CE3 4.44Å; L212-W351 HydrophobicContact CG-CZ3 4.2Å
213T86.5Confident84Confident3 Ų343.9 Ų43.92%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-142.7125.8-178.5-50.20000109.9I172 A173 M174 A221 V262I172-T213 HydrophobicContact CG2-CG2 3.23Å; A173-T213 WeakPolarHBondContact O-CA 3.31Å; M174-T213 HydrophobicContact CB-CG2 4.43Å; T213-A221 HydrophobicContact CG2-CB 4.32Å; T213-A221 PolarHBondContact O-N 3.42Å; T213-V262 HydrophobicContact CG2-CG2 4.3Å
214I86.9Confident84.7Confident39 Ų3940.8 Ų40.820%0.223%0.228CC..EExtended strand (participates in β ladder)trans-128.7140.1177.1-166.2168.1000109.5A173 K220 L307A173-I214 HydrophobicContact CB-CG2 3.88Å; A173-I214 PolarHBondContact N-O 3.39Å; A173-I214 PolarHBondContact O-N 2.89Å; I214-K220 HydrophobicContact CD1-CG 4.25Å; I214-K220 HydrophobicContact CG1-CG 4.25Å; I214-L307 HydrophobicContact CB-CD1 4.49Å; I214-L307 HydrophobicContact CB-CD2 4.5Å; I214-L307 HydrophobicContact CD1-CD1 4.23Å; I214-L307 HydrophobicContact CG2-CD1 4.21Å; I214-L307 HydrophobicContact CG2-CD2 3.94Å
215R86.4Confident85.7Confident43 Ų4337.6 Ų37.616%0.16221%0.213CC..EExtended strand (participates in β ladder)trans-88.7155.6171.8-60.5-176-162.2177.8-2.3109.9C169 M171 D217 G218 T219 L261 V262C169-R215 WeakPolarHBondContact O-CD 3.36Å; M171-R215 CarbonylContact O-C 3.57Å; M171-R215 VanDerWaalsContact O-CA 3.31Å; M171-R215 WeakPolarHBondContact O-CA 3.36Å; R215-D217 WeakPolarHBondContact CB-OD1 3.3Å; R215-D217 PolarHBondContact O-N 3.27Å; R215-G218 PolarHBondContact O-N 3.05Å; R215-T219 WeakPolarHBondContact CB-O 3.44Å; R215-T219 PolarHBondContact N-O 3.15Å; R215-L261 PolarHBondContact NH2-O 2.91Å; R215-L261 VanDerWaalsContact NH2-O 3.14Å; R215-V262 HydrophobicContact CG-CG1 3.51Å; R215-V262 PolarHBondContact NE-O 3.1Å; R215-V262 VanDerWaalsContact NH2-CA 3.3Å; R215-V262 PolarHBondContact NH2-O 2.88Å; R215-V262 VanDerWaalsContact NH2-O 3.12Å
216L85.6Confident86.4Confident102 Ų10232.7 Ų32.753%0.53418%0.179SC..THydrogen-bonded Turntrans-69-17.9178.7-164.860.3000113L168 M171 G218L168-L216 HydrophobicContact CD2-CB 4.42Å; L168-L216 HydrophobicContact CD2-CD2 3.66Å; L168-L216 HydrophobicContact CD2-CG 4.03Å; L168-L216 PolarHBondContact O-N 2.95Å; M171-L216 HydrophobicContact CB-CB 3.87Å; M171-L216 HydrophobicContact CB-CD2 4.28Å; M171-L216 HydrophobicContact CE-CD2 3.66Å; M171-L216 PolarHBondContact O-N 3.23Å; M171-L216 HydrophobicContact SD-CD2 3.62Å; L216-G218 PolarHBondContact O-N 3.22Å
217D84.3Confident86.6Confident67 Ų6732 Ų3236%0.35817%0.172SC..THydrogen-bonded Turntrans-750.1169.769.112.2000114L168 C169 R215 T219L168-D217 HydrophobicContact CB-CB 4.16Å; C169-D217 VanDerWaalsContact CA-OD2 3.25Å; C169-D217 WeakPolarHBondContact CA-OD2 3.26Å; C169-D217 WeakPolarHBondContact CB-OD2 3.44Å; R215-D217 WeakPolarHBondContact CB-OD1 3.3Å; R215-D217 PolarHBondContact O-N 3.27Å; D217-T219 WeakPolarHBondContact OD1-CB 3.46Å; D217-T219 PolarHBondContact OD1-N 3.12Å; D217-T219 PolarHBondContact OD1-OG1 3.49Å
218G84.3Confident86.4Confident48 Ų4832.9 Ų32.950%0.49518%0.18SC..SBendtrans89.2-5.9-178.600000114.4R215 L216 K220R215-G218 PolarHBondContact O-N 3.05Å; L216-G218 PolarHBondContact O-N 3.22Å; G218-K220 PolarHBondContact O-N 3.35Å
219T85.9Confident85.8Confident63 Ų6333.5 Ų33.539%0.38719%0.188SC..PPolyproline II helixtrans-70.2125.5177.8-49.60000110.4R215 D217R215-T219 WeakPolarHBondContact CB-O 3.44Å; R215-T219 PolarHBondContact N-O 3.15Å; D217-T219 WeakPolarHBondContact OD1-CB 3.46Å; D217-T219 PolarHBondContact OD1-N 3.12Å; D217-T219 PolarHBondContact OD1-OG1 3.49Å
220K87.1Confident84.9Confident67 Ų6742.9 Ų42.929%0.29123%0.227SC..BIsolated β-bridgetrans-91.9136176.4-64.6-179.3-58.9-178.90110.6I214 G218 W351 I354I214-K220 HydrophobicContact CD1-CG 4.25Å; I214-K220 HydrophobicContact CG1-CG 4.25Å; G218-K220 PolarHBondContact O-N 3.35Å; K220-W351 HydrophobicContact CB-CZ2 3.64Å; K220-W351 HydrophobicContact CD-CD2 4.38Å; K220-W351 HydrophobicContact CD-CH2 4.4Å; K220-W351 HydrophobicContact CD-CZ2 3.9Å; K220-W351 HydrophobicContact CG-CH2 4.37Å; K220-W351 HydrophobicContact CG-CZ2 3.75Å; K220-W351 PolarHBondContact NZ-O 3.1Å; K220-I354 HydrophobicContact CD-CB 4.4Å; K220-I354 HydrophobicContact CD-CG2 4.43Å; K220-I354 WeakPolarHBondContact CD-OXT 3.36Å; K220-I354 WeakPolarHBondContact CE-OXT 3.46Å; K220-I354 PolarHBondContact NZ-OXT 3.27Å
221A84.9Confident83.9Confident18 Ų1849.1 Ų49.115%0.14925%0.254CS..PPolyproline II helixtrans-79158.8166.300000110.4T213 P223 V262 W351T213-A221 HydrophobicContact CG2-CB 4.32Å; T213-A221 PolarHBondContact O-N 3.42Å; A221-P223 WeakPolarHBondContact O-CD 3.28Å; A221-V262 HydrophobicContact CB-CG2 4.26Å; A221-W351 PolarHBondContact O-NE1 2.8Å
222T87.1Confident82.9Confident49 Ų4957 Ų5730%0.30129%0.291SS..PPolyproline II helixtrans-64.1127.2168.3-54.80000109G239 I240 Y241T222-G239 VanDerWaalsContact CG2-O 3.31Å; T222-G239 WeakPolarHBondContact CG2-O 3.38Å; T222-I240 HydrophobicContact CG2-CD1 4.19Å; T222-Y241 HydrophobicContact CG2-CD2 3.82Å; T222-Y241 HydrophobicContact CG2-CE2 3.98Å
223P89.3Confident82.2Confident2 Ų263.3 Ų63.31%0.01332%0.319CS..PPolyproline II helixtrans-57.4151.3175.6-26.234.6000112.5L212 A221 I240 Y241 V347 W351L212-P223 HydrophobicContact CD2-CB 3.98Å; L212-P223 HydrophobicContact CD2-CG 3.99Å; A221-P223 WeakPolarHBondContact O-CD 3.28Å; P223-I240 HydrophobicContact CB-CD1 4.31Å; P223-I240 HydrophobicContact CB-CG2 4.42Å; P223-I240 HydrophobicContact CG-CD1 4.06Å; P223-I240 WeakPolarHBondContact O-CG2 3.43Å; P223-Y241 PolarHBondContact O-N 2.94Å; P223-V347 HydrophobicContact CB-CG1 4.03Å; P223-V347 HydrophobicContact CG-CG1 4.33Å; P223-W351 HydrophobicContact CG-CB 3.97Å; P223-W351 HydrophobicContact CG-CD2 4.02Å; P223-W351 HydrophobicContact CG-CG 3.5Å; P223-W351 VanDerWaalsContact CG-CG 3.5Å
224L88.2Confident81.7Confident0 Ų066.7 Ų66.70%034%0.336CS..EExtended strand (participates in β ladder)trans-115.4129.9169.9174.367.6000109.3C210 I211 Y241 L243 V254 L257 M258C210-L224 CarbonylContact C-O 3.39Å; C210-L224 WeakPolarHBondContact CA-O 3.39Å; I211-L224 HydrophobicContact CB-CB 4.39Å; I211-L224 HydrophobicContact CD1-CD2 4.35Å; I211-L224 PolarHBondContact N-O 2.9Å; I211-L224 PolarHBondContact O-N 3.28Å; L224-Y241 WeakPolarHBondContact CA-O 3.36Å; L224-Y241 VanDerWaalsContact CD1-CB 3.45Å; L224-L243 HydrophobicContact CD1-CB 4.26Å; L224-V254 HydrophobicContact CD2-CG1 3.36Å; L224-L257 HydrophobicContact CD1-CD2 4.5Å; L224-L257 HydrophobicContact CD2-CD2 4.48Å; L224-M258 HydrophobicContact CB-CE 4.27Å; L224-M258 HydrophobicContact CB-SD 3.81Å; L224-M258 HydrophobicContact CD2-CG 4.09Å; L224-M258 HydrophobicContact CD2-SD 4.13Å
225L88.8Confident81.6Confident0 Ų069 Ų690%035%0.345CS..EExtended strand (participates in β ladder)trans-105.8130.3174.2-69.4168.7000110V208 T209 C210 I240 Y241 V242 L243 V344 V347V208-L225 HydrophobicContact CG2-CD2 3.93Å; T209-L225 CarbonylContact O-C 3.55Å; T209-L225 WeakPolarHBondContact O-CA 3.45Å; C210-L225 HydrophobicContact CB-CD2 3.52Å; L225-I240 HydrophobicContact CD1-CG2 3.93Å; L225-I240 HydrophobicContact CG-CG2 4.18Å; L225-Y241 PolarHBondContact N-O 3.47Å; L225-V242 HydrophobicContact CB-CG2 4.44Å; L225-V242 CarbonylContact O-C 3.53Å; L225-V242 WeakPolarHBondContact O-CA 3.49Å; L225-L243 PolarHBondContact O-N 3.25Å; L225-V344 HydrophobicContact CD1-CB 4.26Å; L225-V344 HydrophobicContact CD1-CG2 3.66Å; L225-V347 HydrophobicContact CD1-CB 4.27Å; L225-V347 HydrophobicContact CD1-CG1 4.37Å; L225-V347 HydrophobicContact CD1-CG2 4.18Å; L225-V347 HydrophobicContact CD2-CG1 4.28Å; L225-V347 HydrophobicContact CD2-CG2 3.86Å; L225-V347 HydrophobicContact CG-CG1 4.48Å
226I86.2Confident81.5Confident0 Ų074.4 Ų74.40%037%0.366CS..EExtended strand (participates in β ladder)trans-108.3109.9172.9-49169.3000107.6T209 I211 L243 T245 A250 V254T209-I226 HydrophobicContact CG2-CD1 4.42Å; T209-I226 PolarHBondContact N-O 3.08Å; T209-I226 PolarHBondContact O-N 3.1Å; I211-I226 HydrophobicContact CD1-CD1 4.11Å; I211-I226 HydrophobicContact CG1-CD1 4.44Å; I226-L243 CarbonylContact C-O 3.59Å; I226-L243 VanDerWaalsContact CA-O 3.25Å; I226-L243 WeakPolarHBondContact CA-O 3.03Å; I226-T245 HydrophobicContact CG2-CG2 4.19Å; I226-A250 HydrophobicContact CD1-CB 3.98Å; I226-V254 HydrophobicContact CD1-CG1 4.12Å; I226-V254 HydrophobicContact CD1-CG2 4.3Å
227A84.8Confident81.5Confident7 Ų771.2 Ų71.26%0.05835%0.351CS..EExtended strand (participates in β ladder)trans-103.4153.6176.500000110.5V208 G229 L243 E244 T245 L340V208-A227 HydrophobicContact CG1-CB 4.09Å; A227-G229 PolarHBondContact O-N 2.92Å; A227-L243 PolarHBondContact N-O 3.31Å; A227-E244 HydrophobicContact CB-CG 4.31Å; A227-E244 WeakPolarHBondContact O-CA 3.4Å; A227-T245 PolarHBondContact O-N 2.84Å; A227-L340 HydrophobicContact CB-CD1 4.03Å; A227-L340 HydrophobicContact CB-CD2 4.2Å
228K80.6Confident81.5Confident164 Ų16470.6 Ų70.671%0.71335%0.352SS*.EExtended strand (participates in β ladder)trans-74.9120.2172-168175.4-178.9178.40109.4T245 E246 A248K228-T245 CarbonylContact C-O 3.47Å; K228-T245 VanDerWaalsContact CA-O 3.3Å; K228-T245 WeakPolarHBondContact CA-O 3.45Å; K228-E246 VanDerWaalsContact CE-O 3.3Å; K228-E246 WeakPolarHBondContact CE-O 3.39Å; K228-E246 WeakPolarHBondContact CG-O 3.49Å; K228-A248 HydrophobicContact CB-CB 4.1Å
229G75.2Confident81.4Confident16 Ų1669.7 Ų69.717%0.16534%0.342CS..  trans-161.4177.1-177.900000113.1A227 T245 E246A227-G229 PolarHBondContact O-N 2.92Å; G229-T245 PolarHBondContact N-O 3.14Å; G229-T245 CarbonylContact O-C 3.51Å; G229-T245 VanDerWaalsContact O-C 3.22Å; G229-E246 WeakPolarHBondContact O-CA 3.42Å; G229-E246 PolarHBondContact O-N 3.42Å
230K67.9Low81.5Confident212 Ų21267 Ų6792%0.92233%0.325SS*.SBendtrans-97.8-8.9-179.9-67.6-172.8178.6-175.30113.3
231K66.5Low81.4Confident131 Ų13166.5 Ų66.557%0.5732%0.322SS*.  trans-104.1110.5-173.8-66177.9177.5179.10109.6K233 E244K231-K233 PolarHBondContact O-N 3.44Å; K231-E244 CarbonylContact C-O 3.54Å; K231-E244 HydrophobicContact CB-CB 4.49Å; K231-E244 CarbonylContact O-C 3.53Å; K231-E244 WeakPolarHBondContact O-CB 3.46Å
232E67.9Low81.5Confident166 Ų16665.9 Ų65.978%0.77632%0.316SS*.  trans-80.259.2174-63.5-173164.200111.3
233K71.5Confident81.4Confident133 Ų13364.4 Ų64.458%0.57831%0.306SS*.  trans-128.2138-178.8-167.2178178.3-1740110.8K231 E235K231-K233 PolarHBondContact O-N 3.44Å; K233-E235 HydrophobicContact CD-CG 4.43Å; K233-E235 HydrophobicContact CG-CG 4.36Å
234I76.9Confident81Confident74 Ų7467 Ų6738%0.37932%0.318SS..EExtended strand (participates in β ladder)trans-84.6122.4170.5-58.8156.7000108Y241 V242 L243 L257I234-Y241 HydrophobicContact CG2-CD1 3.96Å; I234-V242 WeakPolarHBondContact CA-O 3.45Å; I234-L243 HydrophobicContact CG1-CB 4.47Å; I234-L243 HydrophobicContact CG1-CD1 3.87Å; I234-L257 HydrophobicContact CD1-CD1 3.7Å; I234-L257 HydrophobicContact CD1-CD2 3.44Å; I234-L257 VanDerWaalsContact CD1-CD2 3.44Å; I234-L257 HydrophobicContact CD1-CG 4.11Å; I234-L257 HydrophobicContact CG1-CD2 4.13Å; I234-L257 HydrophobicContact CG2-CD2 4.18Å
235E85.1Confident80.3Confident86 Ų8667.8 Ų67.840%0.40232%0.323SS..EExtended strand (participates in β ladder)trans-121.9156.4175.2-63.9-173.3172.400110K233 V242K233-E235 HydrophobicContact CD-CG 4.43Å; K233-E235 HydrophobicContact CG-CG 4.36Å; E235-V242 PolarHBondContact N-O 3.44Å; E235-V242 PolarHBondContact O-N 2.97Å
236R84.1Confident79.1Confident158 Ų15874.3 Ų74.360%0.59635%0.354SS*.EExtended strand (participates in β ladder)trans-108.1108.8176.3-161.8173.4-173.9-176-2.6109.1G239 I240R236-G239 PolarHBondContact NE-O 3.43Å; R236-G239 PolarHBondContact NH2-O 3.3Å; R236-I240 CarbonylContact C-O 3.57Å; R236-I240 WeakPolarHBondContact CA-O 3.39Å
237V84.9Confident77.9Confident35 Ų3580.9 Ų80.921%0.21238%0.382CS..EExtended strand (participates in β ladder)trans-109124179.8-176.30000107.8G239 I240 V242 P341 V344V237-G239 PolarHBondContact O-N 3.24Å; V237-I240 PolarHBondContact N-O 3.24Å; V237-I240 PolarHBondContact O-N 2.93Å; V237-V242 HydrophobicContact CB-CG2 3.92Å; V237-V242 HydrophobicContact CG2-CB 4.26Å; V237-V242 HydrophobicContact CG2-CG2 3.82Å; V237-P341 HydrophobicContact CG1-CB 4.32Å; V237-P341 HydrophobicContact CG1-CG 4.43Å; V237-V344 HydrophobicContact CB-CG1 4.21Å; V237-V344 HydrophobicContact CB-CG2 4.18Å; V237-V344 HydrophobicContact CG1-CB 4.32Å; V237-V344 HydrophobicContact CG1-CG1 4.14Å; V237-V344 HydrophobicContact CG1-CG2 4.13Å; V237-V344 VanDerWaalsContact O-CG1 3.23Å; V237-V344 WeakPolarHBondContact O-CG1 3.46Å
238S84.1Confident76.6Confident54 Ų5481.6 Ų81.638%0.37839%0.388SS..THydrogen-bonded Turntrans50.323.5-178.1-58.40000115.3N345 K348S238-N345 WeakPolarHBondContact CB-OD1 3.47Å; S238-N345 PolarHBondContact OG-OD1 3.37Å; S238-K348 WeakPolarHBondContact O-CD 3.43Å; S238-K348 WeakPolarHBondContact O-CE 3.27Å; S238-K348 PolarHBondContact O-NZ 3.05Å
239G82.3Confident75.6Confident28 Ų2880.2 Ų80.229%0.28938%0.378SS..THydrogen-bonded Turntrans94.1-6.9-17800000115.7T222 R236 V237T222-G239 VanDerWaalsContact CG2-O 3.31Å; T222-G239 WeakPolarHBondContact CG2-O 3.38Å; R236-G239 PolarHBondContact NE-O 3.43Å; R236-G239 PolarHBondContact NH2-O 3.3Å; V237-G239 PolarHBondContact O-N 3.24Å
240I87.5Confident74.7Confident7 Ų779.7 Ų79.74%0.03637%0.372CS..EExtended strand (participates in β ladder)trans-97145.3177.3-58.8-64.3000109.9T222 P223 L225 R236 V237 V344 K348T222-I240 HydrophobicContact CG2-CD1 4.19Å; P223-I240 HydrophobicContact CB-CD1 4.31Å; P223-I240 HydrophobicContact CB-CG2 4.42Å; P223-I240 HydrophobicContact CG-CD1 4.06Å; P223-I240 WeakPolarHBondContact O-CG2 3.43Å; L225-I240 HydrophobicContact CD1-CG2 3.93Å; L225-I240 HydrophobicContact CG-CG2 4.18Å; R236-I240 CarbonylContact C-O 3.57Å; R236-I240 WeakPolarHBondContact CA-O 3.39Å; V237-I240 PolarHBondContact N-O 3.24Å; V237-I240 PolarHBondContact O-N 2.93Å; I240-V344 HydrophobicContact CB-CG1 3.77Å; I240-V344 HydrophobicContact CG1-CG1 3.89Å; I240-V344 HydrophobicContact CG2-CG1 4.37Å; I240-K348 HydrophobicContact CD1-CB 4.06Å; I240-K348 HydrophobicContact CD1-CG 4.32Å; I240-K348 HydrophobicContact CG1-CB 3.93Å; I240-K348 HydrophobicContact CG1-CG 4.4Å
241Y86.8Confident74.5Confident56 Ų5672.1 Ų72.122%0.2234%0.344CS..EExtended strand (participates in β ladder)trans-79.2134.2174.2-64.5-72.7000110.4T222 P223 L224 L225 I234 L261T222-Y241 HydrophobicContact CG2-CD2 3.82Å; T222-Y241 HydrophobicContact CG2-CE2 3.98Å; P223-Y241 PolarHBondContact O-N 2.94Å; L224-Y241 WeakPolarHBondContact CA-O 3.36Å; L224-Y241 VanDerWaalsContact CD1-CB 3.45Å; L225-Y241 PolarHBondContact N-O 3.47Å; I234-Y241 HydrophobicContact CG2-CD1 3.96Å; Y241-L261 HydrophobicContact CE2-CD1 4.22Å
242V86.9Confident74.3Confident5 Ų569.2 Ų69.23%0.0333%0.332CS..EExtended strand (participates in β ladder)trans-126.8123.6177.9-179.70000107.7L225 I234 E235 V237 L340 V344L225-V242 HydrophobicContact CB-CG2 4.44Å; L225-V242 CarbonylContact O-C 3.53Å; L225-V242 WeakPolarHBondContact O-CA 3.49Å; I234-V242 WeakPolarHBondContact CA-O 3.45Å; E235-V242 PolarHBondContact N-O 3.44Å; E235-V242 PolarHBondContact O-N 2.97Å; V237-V242 HydrophobicContact CB-CG2 3.92Å; V237-V242 HydrophobicContact CG2-CB 4.26Å; V237-V242 HydrophobicContact CG2-CG2 3.82Å; V242-L340 HydrophobicContact CG1-CD2 3.65Å; V242-L340 HydrophobicContact CG1-CG 4.35Å; V242-V344 HydrophobicContact CG2-CG2 3.7Å
243L84.4Confident74Confident19 Ų1966.7 Ų66.710%0.09932%0.324CS..EExtended strand (participates in β ladder)trans-114124172.2175.465.9000108.4L224 L225 I226 A227 I234 T245 V254L224-L243 HydrophobicContact CD1-CB 4.26Å; L225-L243 PolarHBondContact O-N 3.25Å; I226-L243 CarbonylContact C-O 3.59Å; I226-L243 VanDerWaalsContact CA-O 3.25Å; I226-L243 WeakPolarHBondContact CA-O 3.03Å; A227-L243 PolarHBondContact N-O 3.31Å; I234-L243 HydrophobicContact CG1-CB 4.47Å; I234-L243 HydrophobicContact CG1-CD1 3.87Å; L243-T245 HydrophobicContact CD1-CG2 4.25Å; L243-T245 HydrophobicContact CD2-CG2 3.67Å; L243-T245 HydrophobicContact CG-CG2 3.67Å; L243-V254 HydrophobicContact CD2-CG2 3.32Å
244E80.4Confident73.7Confident55 Ų5560.5 Ų60.526%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-90.1130.5167.3-79.5-177.4-163.500109.4A227 K231A227-E244 HydrophobicContact CB-CG 4.31Å; A227-E244 WeakPolarHBondContact O-CA 3.4Å; K231-E244 CarbonylContact C-O 3.54Å; K231-E244 HydrophobicContact CB-CB 4.49Å; K231-E244 CarbonylContact O-C 3.53Å; K231-E244 WeakPolarHBondContact O-CB 3.46Å
245T73.1Confident73.2Confident18 Ų1857 Ų5711%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-136.1155.2171.368.50000110.3I226 A227 K228 G229 L243 K247 A248I226-T245 HydrophobicContact CG2-CG2 4.19Å; A227-T245 PolarHBondContact O-N 2.84Å; K228-T245 CarbonylContact C-O 3.47Å; K228-T245 VanDerWaalsContact CA-O 3.3Å; K228-T245 WeakPolarHBondContact CA-O 3.45Å; G229-T245 PolarHBondContact N-O 3.14Å; G229-T245 CarbonylContact O-C 3.51Å; G229-T245 VanDerWaalsContact O-C 3.22Å; L243-T245 HydrophobicContact CD1-CG2 4.25Å; L243-T245 HydrophobicContact CD2-CG2 3.67Å; L243-T245 HydrophobicContact CG-CG2 3.67Å; T245-K247 PolarHBondContact O-N 2.91Å; T245-A248 VanDerWaalsContact OG1-CA 3.31Å; T245-A248 WeakPolarHBondContact OG1-CA 3.33Å; T245-A248 PolarHBondContact OG1-N 3.33Å
246E64.9Low72.3Confident137 Ų13755.3 Ų55.364%0.6427%0.273SS*.SBendtrans-62.2-31.4-178.5-167.9-179.1-164.700112.1K228 G229K228-E246 VanDerWaalsContact CE-O 3.3Å; K228-E246 WeakPolarHBondContact CE-O 3.39Å; K228-E246 WeakPolarHBondContact CG-O 3.49Å; G229-E246 WeakPolarHBondContact O-CA 3.42Å; G229-E246 PolarHBondContact O-N 3.42Å
247K61.2Low71.4Confident138 Ų13850.5 Ų50.560%0.626%0.259SS*.SBendtrans-112.6-8.6-171.4-52.1-174.1177.2166.90115.2T245 W249T245-K247 PolarHBondContact O-N 2.91Å; K247-W249 VanDerWaalsContact C-CD1 3.48Å; K247-W249 HydrophobicContact CB-CZ2 4.18Å; K247-W249 HydrophobicContact CD-CZ2 3.5Å; K247-W249 HydrophobicContact CG-CZ2 4.47Å; K247-W249 PolarHBondContact O-N 3.15Å
248A57.2Low70.5Confident21 Ų2149 Ų4917%0.17425%0.25CC..  trans6032.4173.300000117.1T209 K228 T245T209-A248 PolarHBondContact OG1-O 3.19Å; K228-A248 HydrophobicContact CB-CB 4.1Å; T245-A248 VanDerWaalsContact OG1-CA 3.31Å; T245-A248 WeakPolarHBondContact OG1-CA 3.33Å; T245-A248 PolarHBondContact OG1-N 3.33Å
249W59.6Low69.7Low136 Ų13646.8 Ų46.852%0.51523%0.234SC..SBendtrans-119.5156.217031.8-76.4000111.7K247 T251K247-W249 VanDerWaalsContact C-CD1 3.48Å; K247-W249 HydrophobicContact CB-CZ2 4.18Å; K247-W249 HydrophobicContact CD-CZ2 3.5Å; K247-W249 HydrophobicContact CG-CZ2 4.47Å; K247-W249 PolarHBondContact O-N 3.15Å; W249-T251 PolarHBondContact O-N 2.9Å
250A56.5Low68.6Low4 Ų449.8 Ų49.83%0.03325%0.248CC..  trans-68125.5175.600000110.5E176 I211 I226 V254E176-A250 WeakPolarHBondContact OE1-CB 3.36Å; I211-A250 HydrophobicContact CD1-CB 3.93Å; I226-A250 HydrophobicContact CD1-CB 3.98Å; A250-V254 HydrophobicContact CB-CB 4.4Å; A250-V254 HydrophobicContact CB-CG1 4.21Å
251T62.7Low67Low53 Ų5353.7 Ų53.733%0.32527%0.268SS..  trans-98.2171.4169.858.30000109.8W249 D253 V254 I255W249-T251 PolarHBondContact O-N 2.9Å; T251-D253 PolarHBondContact O-N 3.41Å; T251-V254 WeakPolarHBondContact O-CB 3.46Å; T251-V254 PolarHBondContact O-N 3.11Å; T251-V254 VanDerWaalsContact O-N 3.07Å; T251-I255 PolarHBondContact O-N 3.3Å
252Q62.1Low65.3Low71 Ų7151 Ų5133%0.33226%0.258SS..Hα-helixtrans-55.1-34.4172.6-174.2170.6-7.600111.8V254 I255 N256 M284Q252-V254 VanDerWaalsContact C-N 3.32Å; Q252-V254 PolarHBondContact O-N 2.71Å; Q252-I255 PolarHBondContact O-N 3.32Å; Q252-N256 PolarHBondContact O-N 3.22Å; Q252-N256 PolarHBondContact O-OD1 3.3Å; Q252-N256 VanDerWaalsContact O-OD1 3.1Å; Q252-M284 HydrophobicContact CB-CE 4.26Å; Q252-M284 HydrophobicContact CG-CE 3.95Å
253D62.7Low64Low113 Ų11353.2 Ų53.260%0.60427%0.269SS*.Hα-helixtrans-67.2-31.4177.9-55.6-49.1000113.4T251 N256 L257T251-D253 PolarHBondContact O-N 3.41Å; D253-N256 WeakPolarHBondContact O-CB 3.49Å; D253-N256 PolarHBondContact O-N 3.41Å; D253-L257 PolarHBondContact O-N 3.42Å; D253-L257 VanDerWaalsContact O-N 3.13Å
254V64.6Low62.6Low3 Ų362.4 Ų62.42%0.01830%0.302CS..Hα-helixtrans-66.5-43.8173.4169.60000110.8I211 L224 I226 L243 A250 T251 Q252 N256 L257 M258I211-V254 HydrophobicContact CD1-CG1 3.39Å; L224-V254 HydrophobicContact CD2-CG1 3.36Å; I226-V254 HydrophobicContact CD1-CG1 4.12Å; I226-V254 HydrophobicContact CD1-CG2 4.3Å; L243-V254 HydrophobicContact CD2-CG2 3.32Å; A250-V254 HydrophobicContact CB-CB 4.4Å; A250-V254 HydrophobicContact CB-CG1 4.21Å; T251-V254 WeakPolarHBondContact O-CB 3.46Å; T251-V254 PolarHBondContact O-N 3.11Å; T251-V254 VanDerWaalsContact O-N 3.07Å; Q252-V254 VanDerWaalsContact C-N 3.32Å; Q252-V254 PolarHBondContact O-N 2.71Å; V254-N256 VanDerWaalsContact C-N 3.32Å; V254-L257 WeakPolarHBondContact O-CB 3.44Å; V254-L257 PolarHBondContact O-N 3.28Å; V254-M258 WeakPolarHBondContact O-CG 3.33Å; V254-M258 PolarHBondContact O-N 2.68Å
255I66.9Low61.8Low1 Ų163 Ų631%0.00532%0.324CS..Hα-helixtrans-67.6-36.5177.1-65.1163.3000110.2M174 T251 Q252 L257 M258 L259 W273 M284M174-I255 HydrophobicContact CE-CG1 4.27Å; M174-I255 HydrophobicContact CE-CG2 4.45Å; T251-I255 PolarHBondContact O-N 3.3Å; Q252-I255 PolarHBondContact O-N 3.32Å; I255-L257 PolarHBondContact O-N 3.24Å; I255-M258 PolarHBondContact O-N 3.16Å; I255-M258 VanDerWaalsContact O-N 3.14Å; I255-L259 HydrophobicContact CG2-CD1 3.58Å; I255-L259 HydrophobicContact CG2-CG 4.03Å; I255-L259 WeakPolarHBondContact O-CG 3.23Å; I255-L259 PolarHBondContact O-N 3.49Å; I255-W273 HydrophobicContact CD1-CH2 4.33Å; I255-W273 HydrophobicContact CD1-CZ3 3.85Å; I255-W273 HydrophobicContact CG1-CZ3 4.4Å; I255-W273 HydrophobicContact CG2-CZ3 4.25Å; I255-M284 HydrophobicContact CB-CE 4.4Å; I255-M284 HydrophobicContact CD1-CE 3.49Å; I255-M284 VanDerWaalsContact CD1-CE 3.49Å; I255-M284 HydrophobicContact CG2-CE 4.35Å; I255-M284 HydrophobicContact CG2-SD 4.42Å
256N65.7Low61.5Low49 Ų4970.1 Ų70.126%0.26236%0.361SS..Hα-helixtrans-58.7-35.2173.3-67.9-9.7000112.7Q252 D253 V254 P260 F287Q252-N256 PolarHBondContact O-N 3.22Å; Q252-N256 PolarHBondContact O-OD1 3.3Å; Q252-N256 VanDerWaalsContact O-OD1 3.1Å; D253-N256 WeakPolarHBondContact O-CB 3.49Å; D253-N256 PolarHBondContact O-N 3.41Å; V254-N256 VanDerWaalsContact C-N 3.32Å; N256-P260 WeakPolarHBondContact O-CD 3.47Å; N256-P260 VanDerWaalsContact O-CG 3.26Å; N256-P260 WeakPolarHBondContact O-CG 3.47Å; N256-F287 WeakPolarHBondContact OD1-CE2 3.18Å; N256-F287 WeakPolarHBondContact OD1-CZ 3.36Å
257L65.7Low62Low57 Ų5769.1 Ų69.130%0.29835%0.354SS..Hα-helixtrans-71.7-36.6177.4-170.775.8000111.8L224 I234 D253 V254 I255 L261L224-L257 HydrophobicContact CD1-CD2 4.5Å; L224-L257 HydrophobicContact CD2-CD2 4.48Å; I234-L257 HydrophobicContact CD1-CD1 3.7Å; I234-L257 HydrophobicContact CD1-CD2 3.44Å; I234-L257 VanDerWaalsContact CD1-CD2 3.44Å; I234-L257 HydrophobicContact CD1-CG 4.11Å; I234-L257 HydrophobicContact CG1-CD2 4.13Å; I234-L257 HydrophobicContact CG2-CD2 4.18Å; D253-L257 PolarHBondContact O-N 3.42Å; D253-L257 VanDerWaalsContact O-N 3.13Å; V254-L257 WeakPolarHBondContact O-CB 3.44Å; V254-L257 PolarHBondContact O-N 3.28Å; I255-L257 PolarHBondContact O-N 3.24Å; L257-L261 WeakPolarHBondContact O-CD1 3.2Å
258M65.4Low63.1Low3 Ų366.6 Ų66.62%0.01534%0.341CS..Hα-helixtrans-82.8-35-172.1-67.4-61.7-7300113.2L224 V254 I255 V262L224-M258 HydrophobicContact CB-CE 4.27Å; L224-M258 HydrophobicContact CB-SD 3.81Å; L224-M258 HydrophobicContact CD2-CG 4.09Å; L224-M258 HydrophobicContact CD2-SD 4.13Å; V254-M258 WeakPolarHBondContact O-CG 3.33Å; V254-M258 PolarHBondContact O-N 2.68Å; I255-M258 PolarHBondContact O-N 3.16Å; I255-M258 VanDerWaalsContact O-N 3.14Å; M258-V262 WeakPolarHBondContact O-CG2 3.34Å
259L67.3Low64.6Low8 Ų865.6 Ų65.64%0.04233%0.333CS..SBendtrans-65.1-43.9-175.8-71.9167.2000115.2I255 L261 V262 M263 L271 F287 L288 I293I255-L259 HydrophobicContact CG2-CD1 3.58Å; I255-L259 HydrophobicContact CG2-CG 4.03Å; I255-L259 WeakPolarHBondContact O-CG 3.23Å; I255-L259 PolarHBondContact O-N 3.49Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L259-L261 PolarHBondContact O-N 3.32Å; L259-V262 PolarHBondContact O-N 2.77Å; L259-M263 PolarHBondContact O-N 3.36Å; L259-L271 HydrophobicContact CD2-CD1 4.42Å; L259-L271 HydrophobicContact CD2-CD2 4.21Å; L259-F287 HydrophobicContact CD1-CE1 3.5Å; L259-F287 VanDerWaalsContact CD1-CE1 3.5Å; L259-F287 HydrophobicContact CD1-CZ 4.1Å; L259-L288 HydrophobicContact CD1-CD2 3.94Å; L259-I293 HydrophobicContact CD1-CD1 4.4Å; L259-I293 HydrophobicContact CD2-CD1 4.24Å
260P58.9Low65.9Low91 Ų9159.2 Ų59.259%0.59131%0.309SS*.THydrogen-bonded Turntrans-68.7-24.3-178.1-20.533.5000113.9N256 V262N256-P260 WeakPolarHBondContact O-CD 3.47Å; N256-P260 VanDerWaalsContact O-CG 3.26Å; N256-P260 WeakPolarHBondContact O-CG 3.47Å; P260-V262 PolarHBondContact O-N 2.7Å; P260-V262 VanDerWaalsContact O-N 3.15Å
261L54.4Low67.4Low89 Ų8959.1 Ų59.147%0.46631%0.307SS..THydrogen-bonded Turntrans-68.5-10.6177.2-64173.4000112.2R215 Y241 L257 L259R215-L261 PolarHBondContact NH2-O 2.91Å; R215-L261 VanDerWaalsContact NH2-O 3.14Å; Y241-L261 HydrophobicContact CE2-CD1 4.22Å; L257-L261 WeakPolarHBondContact O-CD1 3.2Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L259-L261 PolarHBondContact O-N 3.32Å
262V50.8Low68.5Low1 Ų158.3 Ų58.31%0.00630%0.301CS..THydrogen-bonded Turntrans-117.7-29.2-166.1-1660000113.1I172 T213 R215 A221 M258 L259 P260I172-V262 HydrophobicContact CB-CG1 4.47Å; I172-V262 HydrophobicContact CD1-CB 3.68Å; I172-V262 HydrophobicContact CD1-CG1 3.28Å; I172-V262 HydrophobicContact CG1-CB 4.42Å; I172-V262 HydrophobicContact CG1-CG1 3.49Å; I172-V262 VanDerWaalsContact CG1-CG1 3.49Å; I172-V262 HydrophobicContact CG2-CG1 4.18Å; T213-V262 HydrophobicContact CG2-CG2 4.3Å; R215-V262 HydrophobicContact CG-CG1 3.51Å; R215-V262 PolarHBondContact NE-O 3.1Å; R215-V262 VanDerWaalsContact NH2-CA 3.3Å; R215-V262 PolarHBondContact NH2-O 2.88Å; R215-V262 VanDerWaalsContact NH2-O 3.12Å; A221-V262 HydrophobicContact CB-CG2 4.26Å; M258-V262 WeakPolarHBondContact O-CG2 3.34Å; L259-V262 PolarHBondContact O-N 2.77Å; P260-V262 PolarHBondContact O-N 2.7Å; P260-V262 VanDerWaalsContact O-N 3.15Å
263M59.6Low69.6Low51 Ų5155 Ų5525%0.25129%0.285SS..  trans-95.6129.6-176.1-66.1-17261.900113.3I172 L259 I293I172-M263 HydrophobicContact CD1-CG 4.15Å; L259-M263 PolarHBondContact O-N 3.36Å; M263-I293 HydrophobicContact CE-CD1 4.46Å; M263-I293 HydrophobicContact CE-CG1 4.01Å; M263-I293 HydrophobicContact SD-CD1 3.44Å; M263-I293 WeakPolarHBondContact SD-CD1 3.25Å; M263-I293 HydrophobicContact SD-CG1 3.61Å
264R55.8Low70.4Confident211 Ų21152.5 Ų52.580%0.79627%0.272SS*.  trans-133.1131.9167.2-67.2-171.3-179.6-170.60.7110.2N170N170-R264 PolarHBondContact OD1-O 2.93Å
265G63Low70.9Confident69 Ų6953.5 Ų53.571%0.71128%0.28SS*.SBendtrans104.3-172.4168.800000116.3
266N66.2Low71.1Confident167 Ų16754.7 Ų54.789%0.89329%0.291SS*.SBendtrans-93.1-2.9-169-74.9-7.9000115.3
267K76Confident71.2Confident115 Ų11554.9 Ų54.950%0.530%0.296SS..SBendtrans-86153.5179.7-76.3-179.3169.6-164.30111.6S167 N170S167-K267 WeakPolarHBondContact OG-CD 3.35Å; N170-K267 PolarHBondContact ND2-O 3.33Å
268R84.9Confident71.4Confident85 Ų8554.8 Ų54.832%0.32130%0.297SS..EExtended strand (participates in β ladder)trans-60.4149.9178.1-64.8-174.573.489.8-0.8110.9Y166 R292 D294Y166-R268 HydrophobicContact CD1-CB 3.99Å; Y166-R268 HydrophobicContact CE1-CB 3.83Å; R268-R292 WeakPolarHBondContact CA-O 3.36Å; R268-D294 IonicContact CZ-OD1 2.7Å; R268-D294 IonicContact CZ-OD2 2.71Å; R268-D294 IonicContact NE-OD1 2.66Å; R268-D294 IonicContact NE-OD2 2.77Å; R268-D294 PolarHBondContact NE-OD2 2.83Å; R268-D294 IonicContact NH2-OD1 3.15Å; R268-D294 PolarHBondContact NH2-OD1 3.29Å; R268-D294 IonicContact NH2-OD2 3.65Å; R268-D294 PolarHBondContact NH2-OD2 2.97Å
269G86.9Confident71.8Confident0 Ų054.8 Ų54.80%030%0.297CS..EExtended strand (participates in β ladder)trans-91.3151.7172.200000111.7Y166 N170 R292 I293 D294Y166-G269 WeakPolarHBondContact CE1-O 3.4Å; N170-G269 WeakPolarHBondContact O-CA 3.41Å; G269-R292 PolarHBondContact N-O 3.07Å; G269-I293 WeakPolarHBondContact O-CA 3.47Å; G269-D294 PolarHBondContact O-N 3.06Å
270M88Confident72.2Confident3 Ų360.5 Ų60.52%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-125.9126.1169.2176.861.378.200109.1I161 Y166 N170 M171 I172 I272 D294 I296I161-M270 HydrophobicContact CG2-CE 3.98Å; Y166-M270 HydrophobicContact CD1-CB 3.77Å; Y166-M270 HydrophobicContact CD2-CE 4.14Å; Y166-M270 HydrophobicContact CE1-CB 4.06Å; Y166-M270 HydrophobicContact CE1-CE 3.95Å; Y166-M270 HydrophobicContact CE2-CE 3.47Å; Y166-M270 VanDerWaalsContact CE2-CE 3.47Å; Y166-M270 HydrophobicContact CG-CB 4.05Å; N170-M270 PolarHBondContact O-N 3.5Å; M171-M270 CarbonylContact C-O 3.58Å; M171-M270 WeakPolarHBondContact CA-O 2.99Å; M171-M270 HydrophobicContact CB-CB 4.42Å; M171-M270 HydrophobicContact CE-CG 4.5Å; M171-M270 HydrophobicContact CG-CB 4Å; I172-M270 PolarHBondContact N-O 3.33Å; M270-I272 HydrophobicContact CG-CG1 4.26Å; M270-D294 CarbonylContact C-O 3.55Å; M270-D294 WeakPolarHBondContact CA-O 3.48Å; M270-D294 HydrophobicContact CE-CB 4.08Å; M270-D294 HydrophobicContact SD-CB 4.24Å; M270-I296 HydrophobicContact CE-CD1 3.74Å; M270-I296 HydrophobicContact CE-CG1 4.07Å; M270-I296 HydrophobicContact CG-CD1 4.1Å; M270-I296 HydrophobicContact SD-CB 4.32Å; M270-I296 HydrophobicContact SD-CD1 3.48Å; M270-I296 WeakPolarHBondContact SD-CD1 3.49Å; M270-I296 HydrophobicContact SD-CG1 3.52Å; M270-I296 VanDerWaalsContact SD-CG1 3.52Å
271L87.8Confident73.1Confident1 Ų157.8 Ų57.81%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-113.2123.9176.6-175.363.4000110.6I172 M174 L259 W273 L288 I293 D294 Q295 I296I172-L271 HydrophobicContact CB-CD1 4.06Å; I172-L271 HydrophobicContact CG2-CD1 3.98Å; I172-L271 CarbonylContact O-C 3.6Å; I172-L271 WeakPolarHBondContact O-CA 3.41Å; M174-L271 HydrophobicContact CB-CD1 4.03Å; M174-L271 HydrophobicContact CE-CD1 4.49Å; M174-L271 HydrophobicContact CE-CD2 4.48Å; L259-L271 HydrophobicContact CD2-CD1 4.42Å; L259-L271 HydrophobicContact CD2-CD2 4.21Å; L271-W273 HydrophobicContact CD2-CD2 3.71Å; L271-W273 HydrophobicContact CD2-CE3 3.67Å; L271-W273 HydrophobicContact CD2-CG 4.49Å; L271-W273 HydrophobicContact CD2-CH2 3.58Å; L271-W273 HydrophobicContact CD2-CZ2 3.65Å; L271-W273 HydrophobicContact CD2-CZ3 3.6Å; L271-W273 HydrophobicContact CG-CD2 4.01Å; L271-W273 HydrophobicContact CG-CE3 4.27Å; L271-W273 HydrophobicContact CG-CG 4.31Å; L271-L288 HydrophobicContact CD2-CD1 4.38Å; L271-L288 HydrophobicContact CD2-CD2 4.29Å; L271-I293 HydrophobicContact CB-CG2 3.97Å; L271-D294 PolarHBondContact N-O 2.9Å; L271-Q295 CarbonylContact O-C 3.56Å; L271-Q295 WeakPolarHBondContact O-CA 3.32Å; L271-I296 PolarHBondContact O-N 3.34Å
272I86.8Confident74.2Confident36 Ų3661.2 Ų61.219%0.18532%0.315CS..EExtended strand (participates in β ladder)trans-112.4119.5179-52166.5000107.7I172 A173 M174 M270 I296 I298 L304I172-I272 PolarHBondContact O-N 3.18Å; A173-I272 WeakPolarHBondContact CA-O 3.12Å; M174-I272 PolarHBondContact N-O 3.03Å; M270-I272 HydrophobicContact CG-CG1 4.26Å; I272-I296 WeakPolarHBondContact CA-O 3.41Å; I272-I296 HydrophobicContact CG1-CB 4.23Å; I272-I296 HydrophobicContact CG1-CD1 4.33Å; I272-I296 HydrophobicContact CG2-CG2 4.33Å; I272-I298 HydrophobicContact CG2-CD1 4.08Å; I272-I298 HydrophobicContact CG2-CG1 4.18Å; I272-L304 HydrophobicContact CG2-CD1 4.42Å
273W83.6Confident75.4Confident1 Ų165.2 Ų65.20%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-157.6175.1-177.256.21.6000111.2M174 I255 L271 H279 M284 L288 I296 M297 I298M174-W273 HydrophobicContact CE-CD2 4.48Å; M174-W273 HydrophobicContact CE-CE3 3.27Å; M174-W273 HydrophobicContact CE-CZ3 3.41Å; M174-W273 VanDerWaalsContact CE-CZ3 3.41Å; M174-W273 WeakPolarHBondContact O-CA 3.4Å; M174-W273 WeakPolarHBondContact O-CB 3.18Å; I255-W273 HydrophobicContact CD1-CH2 4.33Å; I255-W273 HydrophobicContact CD1-CZ3 3.85Å; I255-W273 HydrophobicContact CG1-CZ3 4.4Å; I255-W273 HydrophobicContact CG2-CZ3 4.25Å; L271-W273 HydrophobicContact CD2-CD2 3.71Å; L271-W273 HydrophobicContact CD2-CE3 3.67Å; L271-W273 HydrophobicContact CD2-CG 4.49Å; L271-W273 HydrophobicContact CD2-CH2 3.58Å; L271-W273 HydrophobicContact CD2-CZ2 3.65Å; L271-W273 HydrophobicContact CD2-CZ3 3.6Å; L271-W273 HydrophobicContact CG-CD2 4.01Å; L271-W273 HydrophobicContact CG-CE3 4.27Å; L271-W273 HydrophobicContact CG-CG 4.31Å; W273-H279 HydrophobicContact CD2-CB 4.17Å; W273-H279 AromaticContact CD2-CE1 3.93Å; W273-H279 AromaticContact CD2-CG 3.66Å; W273-H279 AromaticContact CD2-ND1 3.59Å; W273-H279 AromaticContact CE2-CG 3.73Å; W273-H279 AromaticContact CE3-CD2 3.54Å; W273-H279 AromaticContact CE3-CE1 3.57Å; W273-H279 AromaticContact CE3-CG 3.69Å; W273-H279 AromaticContact CE3-ND1 3.68Å; W273-H279 AromaticContact CE3-NE2 3.49Å; W273-H279 AromaticContact CG-ND1 3.86Å; W273-H279 HydrophobicContact CH2-CB 4.23Å; W273-H279 AromaticContact CH2-CD2 3.65Å; W273-H279 AromaticContact CH2-CG 3.97Å; W273-H279 HydrophobicContact CZ2-CB 3.76Å; W273-H279 AromaticContact CZ2-CG 3.89Å; W273-H279 AromaticContact CZ3-CD2 3.36Å; W273-H279 WeakPolarHBondContact CZ3-CD2 3.47Å; W273-H279 AromaticContact CZ3-CG 3.87Å; W273-H279 AromaticContact CZ3-NE2 3.6Å; W273-M284 HydrophobicContact CH2-CE 4.48Å; W273-M284 HydrophobicContact CH2-CG 3.83Å; W273-M284 HydrophobicContact CH2-SD 3.83Å; W273-M284 HydrophobicContact CZ2-CG 4.06Å; W273-L288 HydrophobicContact CH2-CD1 4.3Å; W273-L288 HydrophobicContact CZ2-CD1 3.83Å; W273-I296 PolarHBondContact N-O 3.12Å; W273-I296 VanDerWaalsContact N-O 3.16Å; W273-M297 CarbonylContact O-C 3.58Å; W273-M297 WeakPolarHBondContact O-CA 3.23Å; W273-I298 PolarHBondContact O-N 3.19Å
274D80.5Confident76.3Confident62 Ų6263 Ų6333%0.33233%0.329SS..EExtended strand (participates in β ladder)trans-71.5162.7178.580.2-24000112.8A276 H279D274-A276 PolarHBondContact O-N 2.93Å; D274-A276 VanDerWaalsContact O-N 3.08Å; D274-H279 PolarHBondContact O-ND1 3.13Å; D274-H279 IonicContact OD1-CE1 3.99Å; D274-H279 PolarHBondContact OD1-CE1 3.48Å; D274-H279 IonicContact OD1-ND1 3.13Å; D274-H279 PolarHBondContact OD1-ND1 3.27Å
275A75.7Confident77.6Confident23 Ų2357.9 Ų57.919%0.1931%0.312CS..  trans-83.139.4179.900000113.4R280 M297 I298A275-R280 VanDerWaalsContact O-CZ 3.22Å; A275-R280 PolarHBondContact O-NE 3.47Å; A275-R280 PolarHBondContact O-NH1 2.89Å; A275-M297 HydrophobicContact CB-CB 4.17Å; A275-I298 WeakPolarHBondContact CB-O 3.44Å; A275-I298 PolarHBondContact N-O 3.4Å
276A70.1Confident78.4Confident27 Ų2758.4 Ų58.422%0.22330%0.298CS..  trans-57.9153.117700000112.1D274 T278 H279 R280D274-A276 PolarHBondContact O-N 2.93Å; D274-A276 VanDerWaalsContact O-N 3.08Å; A276-T278 VanDerWaalsContact C-N 3.28Å; A276-T278 PolarHBondContact O-N 3.19Å; A276-H279 PolarHBondContact O-N 3.45Å; A276-H279 VanDerWaalsContact O-N 3.1Å; A276-R280 WeakPolarHBondContact O-CG 3.44Å; A276-R280 PolarHBondContact O-N 3.5Å
277S68.1Low79.1Confident52 Ų5251 Ų5136%0.36426%0.259SS..Hα-helixtrans-60.1-37.6-177.752.80000112.8H279 R280 A281S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 PolarHBondContact O-N 2.98Å; S277-R280 PolarHBondContact O-N 2.98Å; S277-A281 PolarHBondContact O-N 3Å; S277-A281 VanDerWaalsContact O-N 3.15Å
278T69.4Low79.5Confident55 Ų5545.7 Ų45.734%0.33724%0.236SC..Hα-helixtrans-60.6-40.9174.447.30000112A276 A281 M284A276-T278 VanDerWaalsContact C-N 3.28Å; A276-T278 PolarHBondContact O-N 3.19Å; T278-A281 WeakPolarHBondContact O-CB 3.31Å; T278-A281 PolarHBondContact O-N 3.26Å; T278-M284 WeakPolarHBondContact O-CB 3.26Å
279H74.4Confident79.4Confident3 Ų348.1 Ų48.11%0.01425%0.25CS..Hα-helixtrans-70.7-33.7177.9-54.6159.9000111.7W273 D274 A276 S277 A281 M297W273-H279 HydrophobicContact CD2-CB 4.17Å; W273-H279 AromaticContact CD2-CE1 3.93Å; W273-H279 AromaticContact CD2-CG 3.66Å; W273-H279 AromaticContact CD2-ND1 3.59Å; W273-H279 AromaticContact CE2-CG 3.73Å; W273-H279 AromaticContact CE3-CD2 3.54Å; W273-H279 AromaticContact CE3-CE1 3.57Å; W273-H279 AromaticContact CE3-CG 3.69Å; W273-H279 AromaticContact CE3-ND1 3.68Å; W273-H279 AromaticContact CE3-NE2 3.49Å; W273-H279 AromaticContact CG-ND1 3.86Å; W273-H279 HydrophobicContact CH2-CB 4.23Å; W273-H279 AromaticContact CH2-CD2 3.65Å; W273-H279 AromaticContact CH2-CG 3.97Å; W273-H279 HydrophobicContact CZ2-CB 3.76Å; W273-H279 AromaticContact CZ2-CG 3.89Å; W273-H279 AromaticContact CZ3-CD2 3.36Å; W273-H279 WeakPolarHBondContact CZ3-CD2 3.47Å; W273-H279 AromaticContact CZ3-CG 3.87Å; W273-H279 AromaticContact CZ3-NE2 3.6Å; D274-H279 PolarHBondContact O-ND1 3.13Å; D274-H279 IonicContact OD1-CE1 3.99Å; D274-H279 PolarHBondContact OD1-CE1 3.48Å; D274-H279 IonicContact OD1-ND1 3.13Å; D274-H279 PolarHBondContact OD1-ND1 3.27Å; A276-H279 PolarHBondContact O-N 3.45Å; A276-H279 VanDerWaalsContact O-N 3.1Å; S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 PolarHBondContact O-N 2.98Å; H279-A281 VanDerWaalsContact C-N 3.31Å; H279-A281 PolarHBondContact O-N 3.49Å; H279-M297 HydrophobicContact CB-CE 3.81Å; H279-M297 WeakPolarHBondContact O-CE 3.43Å
280R76.1Confident79.3Confident128 Ų12855 Ų5548%0.48328%0.282SS..Hα-helixtrans-76.2-16.8178.6-67.8-172-57.9-139.94.7114A275 A276 S277 K285 M297A275-R280 VanDerWaalsContact O-CZ 3.22Å; A275-R280 PolarHBondContact O-NE 3.47Å; A275-R280 PolarHBondContact O-NH1 2.89Å; A276-R280 WeakPolarHBondContact O-CG 3.44Å; A276-R280 PolarHBondContact O-N 3.5Å; S277-R280 PolarHBondContact O-N 2.98Å; R280-K285 WeakPolarHBondContact O-CE 3.23Å; R280-M297 HydrophobicContact CG-CE 3.95Å; R280-M297 HydrophobicContact CG-SD 3.82Å
281A76.1Confident79Confident34 Ų3460.1 Ų60.128%0.28130%0.302SS..SBendtrans-56.7142-17700000111.9S277 T278 H279 T283 M284 K285S277-A281 PolarHBondContact O-N 3Å; S277-A281 VanDerWaalsContact O-N 3.15Å; T278-A281 WeakPolarHBondContact O-CB 3.31Å; T278-A281 PolarHBondContact O-N 3.26Å; H279-A281 VanDerWaalsContact C-N 3.31Å; H279-A281 PolarHBondContact O-N 3.49Å; A281-T283 PolarHBondContact O-N 2.65Å; A281-M284 HydrophobicContact CB-CB 4.45Å; A281-M284 PolarHBondContact O-N 3.29Å; A281-M284 VanDerWaalsContact O-N 3.14Å; A281-K285 PolarHBondContact O-N 3.24Å; A281-K285 VanDerWaalsContact O-N 3.09Å
282K78Confident78.9Confident162 Ų16268 Ų6870%0.70433%0.331SS*.Hα-helixtrans-60.3-36.5178.1-175.7175.6-179.9-177.70111.7M284 K285 N286K282-M284 VanDerWaalsContact C-N 3.33Å; K282-M284 PolarHBondContact O-N 3.22Å; K282-K285 PolarHBondContact O-N 3.47Å; K282-N286 VanDerWaalsContact O-CG 3.28Å; K282-N286 PolarHBondContact O-N 3.4Å; K282-N286 PolarHBondContact O-OD1 3.4Å
283T76.3Confident78.9Confident85 Ų8566.7 Ų66.752%0.52132%0.324SS..Hα-helixtrans-58.6-44.4175.553.80000111.6A281 N286 F287A281-T283 PolarHBondContact O-N 2.65Å; T283-N286 PolarHBondContact O-N 2.96Å; T283-F287 VanDerWaalsContact O-CB 3.22Å; T283-F287 WeakPolarHBondContact O-CB 3.35Å; T283-F287 PolarHBondContact O-N 3.03Å
284M78.6Confident79.1Confident4 Ų468.7 Ų68.72%0.0234%0.335CS..Hα-helixtrans-65.6-43.9176.7-174.555.966.800112Q252 I255 W273 T278 A281 K282 N286 F287 L288Q252-M284 HydrophobicContact CB-CE 4.26Å; Q252-M284 HydrophobicContact CG-CE 3.95Å; I255-M284 HydrophobicContact CB-CE 4.4Å; I255-M284 HydrophobicContact CD1-CE 3.49Å; I255-M284 VanDerWaalsContact CD1-CE 3.49Å; I255-M284 HydrophobicContact CG2-CE 4.35Å; I255-M284 HydrophobicContact CG2-SD 4.42Å; W273-M284 HydrophobicContact CH2-CE 4.48Å; W273-M284 HydrophobicContact CH2-CG 3.83Å; W273-M284 HydrophobicContact CH2-SD 3.83Å; W273-M284 HydrophobicContact CZ2-CG 4.06Å; T278-M284 WeakPolarHBondContact O-CB 3.26Å; A281-M284 HydrophobicContact CB-CB 4.45Å; A281-M284 PolarHBondContact O-N 3.29Å; A281-M284 VanDerWaalsContact O-N 3.14Å; K282-M284 VanDerWaalsContact C-N 3.33Å; K282-M284 PolarHBondContact O-N 3.22Å; M284-N286 PolarHBondContact O-N 2.9Å; M284-F287 WeakPolarHBondContact O-CB 3.42Å; M284-F287 PolarHBondContact O-N 3.32Å; M284-F287 HydrophobicContact SD-CD1 3.87Å; M284-L288 HydrophobicContact CG-CD1 4.42Å; M284-L288 WeakPolarHBondContact O-CG 3.19Å; M284-L288 PolarHBondContact O-N 2.97Å; M284-L288 HydrophobicContact SD-CG 4.29Å
285K82.1Confident79.5Confident103 Ų10368 Ų6845%0.44833%0.33SS..Hα-helixtrans-59.6-45.5176.8-68.8-178.4-179.5-179.70112.2R280 A281 K282 F287 L288 H289R280-K285 WeakPolarHBondContact O-CE 3.23Å; A281-K285 PolarHBondContact O-N 3.24Å; A281-K285 VanDerWaalsContact O-N 3.09Å; K282-K285 PolarHBondContact O-N 3.47Å; K285-F287 VanDerWaalsContact C-N 3.34Å; K285-L288 PolarHBondContact O-N 3.4Å; K285-H289 WeakPolarHBondContact O-CB 3.29Å; K285-H289 PolarHBondContact O-N 2.91Å
286N80.4Confident80.1Confident80 Ų8067.1 Ų67.143%0.42832%0.322SS..Hα-helixtrans-62.1-45.3176.8-70.8-2.5000111K282 T283 M284 L288 H289 E290K282-N286 VanDerWaalsContact O-CG 3.28Å; K282-N286 PolarHBondContact O-N 3.4Å; K282-N286 PolarHBondContact O-OD1 3.4Å; T283-N286 PolarHBondContact O-N 2.96Å; M284-N286 PolarHBondContact O-N 2.9Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.29Å; N286-H289 WeakPolarHBondContact O-CB 3.28Å; N286-H289 PolarHBondContact O-N 3.06Å; N286-E290 WeakPolarHBondContact O-CG 3.41Å; N286-E290 PolarHBondContact O-N 2.96Å
287F81.1Confident80.8Confident13 Ų1367.8 Ų67.86%0.05732%0.321CS..Hα-helixtrans-58.7-41.7179168.9-89.5000113.2N256 L259 T283 M284 K285 R291N256-F287 WeakPolarHBondContact OD1-CE2 3.18Å; N256-F287 WeakPolarHBondContact OD1-CZ 3.36Å; L259-F287 HydrophobicContact CD1-CE1 3.5Å; L259-F287 VanDerWaalsContact CD1-CE1 3.5Å; L259-F287 HydrophobicContact CD1-CZ 4.1Å; T283-F287 VanDerWaalsContact O-CB 3.22Å; T283-F287 WeakPolarHBondContact O-CB 3.35Å; T283-F287 PolarHBondContact O-N 3.03Å; M284-F287 WeakPolarHBondContact O-CB 3.42Å; M284-F287 PolarHBondContact O-N 3.32Å; M284-F287 HydrophobicContact SD-CD1 3.87Å; K285-F287 VanDerWaalsContact C-N 3.34Å; F287-R291 VanDerWaalsContact CE2-NH2 3.33Å; F287-R291 VanDerWaalsContact CZ-CZ 3.46Å; F287-R291 VanDerWaalsContact CZ-NE 3.25Å; F287-R291 PolarHBondContact O-NH1 3.17Å; F287-R291 VanDerWaalsContact O-NH1 3.16Å
288L83.7Confident81.4Confident3 Ų366.2 Ų66.22%0.01631%0.308CS..Hα-helixtrans-71.4-40.1175.3-67.2-179.8000111.9L259 L271 W273 M284 K285 N286 E290 R291 R292 I293 Q295L259-L288 HydrophobicContact CD1-CD2 3.94Å; L271-L288 HydrophobicContact CD2-CD1 4.38Å; L271-L288 HydrophobicContact CD2-CD2 4.29Å; W273-L288 HydrophobicContact CH2-CD1 4.3Å; W273-L288 HydrophobicContact CZ2-CD1 3.83Å; M284-L288 HydrophobicContact CG-CD1 4.42Å; M284-L288 WeakPolarHBondContact O-CG 3.19Å; M284-L288 PolarHBondContact O-N 2.97Å; M284-L288 HydrophobicContact SD-CG 4.29Å; K285-L288 PolarHBondContact O-N 3.4Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.29Å; L288-E290 PolarHBondContact O-N 2.99Å; L288-R291 CarbonylContact O-C 3.22Å; L288-R291 WeakPolarHBondContact O-CA 3.12Å; L288-R291 PolarHBondContact O-N 3.48Å; L288-R291 VanDerWaalsContact O-N 3.07Å; L288-R292 PolarHBondContact O-N 3.44Å; L288-R292 VanDerWaalsContact O-N 3.17Å; L288-I293 HydrophobicContact CB-CB 4.18Å; L288-I293 HydrophobicContact CD2-CB 4.14Å; L288-I293 HydrophobicContact CD2-CD1 4.07Å; L288-I293 HydrophobicContact CD2-CG2 4.05Å; L288-I293 PolarHBondContact O-N 3.5Å; L288-Q295 HydrophobicContact CD1-CB 4Å; L288-Q295 HydrophobicContact CD1-CG 4.43Å
289H84.7Confident81.5Confident136 Ų13665.1 Ų65.163%0.6330%0.302SS*.Hα-helixtrans-60.3-45.7178179.2-87.8000112.2K285 N286 R291 R292K285-H289 WeakPolarHBondContact O-CB 3.29Å; K285-H289 PolarHBondContact O-N 2.91Å; N286-H289 WeakPolarHBondContact O-CB 3.28Å; N286-H289 PolarHBondContact O-N 3.06Å; H289-R291 PolarHBondContact O-N 2.88Å; H289-R291 VanDerWaalsContact O-N 3.16Å; H289-R292 PolarHBondContact O-N 3.33Å
290E84.1Confident81Confident143 Ų14368.4 Ų68.467%0.66833%0.33SS*.Hα-helixtrans-56.1-30.1174.6-74.3170.7-171.800112.7N286 L288N286-E290 WeakPolarHBondContact O-CG 3.41Å; N286-E290 PolarHBondContact O-N 2.96Å; L288-E290 PolarHBondContact O-N 2.99Å
291R80.7Confident80.1Confident112 Ų11265.2 Ų65.242%0.42334%0.337SS..THydrogen-bonded Turntrans-93.44.7179.3-73.4164.8179.466.75.7113.8F287 L288 H289 I293F287-R291 VanDerWaalsContact CE2-NH2 3.33Å; F287-R291 VanDerWaalsContact CZ-CZ 3.46Å; F287-R291 VanDerWaalsContact CZ-NE 3.25Å; F287-R291 PolarHBondContact O-NH1 3.17Å; F287-R291 VanDerWaalsContact O-NH1 3.16Å; L288-R291 CarbonylContact O-C 3.22Å; L288-R291 WeakPolarHBondContact O-CA 3.12Å; L288-R291 PolarHBondContact O-N 3.48Å; L288-R291 VanDerWaalsContact O-N 3.07Å; H289-R291 PolarHBondContact O-N 2.88Å; H289-R291 VanDerWaalsContact O-N 3.16Å; R291-I293 HydrophobicContact CB-CD1 3.78Å; R291-I293 HydrophobicContact CB-CG1 3.94Å; R291-I293 PolarHBondContact O-N 3.29Å
292R86.1Confident79.4Confident165 Ų16566.3 Ų66.362%0.62334%0.337SS*.THydrogen-bonded Turntrans56.939.2-176-53177.1176.4-177.8-1.6112.3R268 G269 L288 H289R268-R292 WeakPolarHBondContact CA-O 3.36Å; G269-R292 PolarHBondContact N-O 3.07Å; L288-R292 PolarHBondContact O-N 3.44Å; L288-R292 VanDerWaalsContact O-N 3.17Å; H289-R292 PolarHBondContact O-N 3.33Å
293I86.8Confident78.4Confident9 Ų963.4 Ų63.45%0.04633%0.333CS..EExtended strand (participates in β ladder)trans-106.5121.5176.6-56.6171.9000108.3L259 M263 G269 L271 L288 R291L259-I293 HydrophobicContact CD1-CD1 4.4Å; L259-I293 HydrophobicContact CD2-CD1 4.24Å; M263-I293 HydrophobicContact CE-CD1 4.46Å; M263-I293 HydrophobicContact CE-CG1 4.01Å; M263-I293 HydrophobicContact SD-CD1 3.44Å; M263-I293 WeakPolarHBondContact SD-CD1 3.25Å; M263-I293 HydrophobicContact SD-CG1 3.61Å; G269-I293 WeakPolarHBondContact O-CA 3.47Å; L271-I293 HydrophobicContact CB-CG2 3.97Å; L288-I293 HydrophobicContact CB-CB 4.18Å; L288-I293 HydrophobicContact CD2-CB 4.14Å; L288-I293 HydrophobicContact CD2-CD1 4.07Å; L288-I293 HydrophobicContact CD2-CG2 4.05Å; L288-I293 PolarHBondContact O-N 3.5Å; R291-I293 HydrophobicContact CB-CD1 3.78Å; R291-I293 HydrophobicContact CB-CG1 3.94Å; R291-I293 PolarHBondContact O-N 3.29Å
294D88.3Confident77.5Confident44 Ų4460.7 Ų60.724%0.23532%0.315CS..EExtended strand (participates in β ladder)trans-87.9150.4169.2-58.9-45.4000109.1Y166 R268 G269 M270 L271Y166-D294 HydrophobicContact CE1-CB 4.09Å; Y166-D294 VanDerWaalsContact CE1-OD2 3.27Å; Y166-D294 WeakPolarHBondContact CE1-OD2 2.91Å; Y166-D294 VanDerWaalsContact CZ-OD2 3.31Å; Y166-D294 WeakPolarHBondContact OH-CB 3.26Å; Y166-D294 VanDerWaalsContact OH-CG 3.26Å; Y166-D294 PolarHBondContact OH-OD2 3.5Å; R268-D294 IonicContact CZ-OD1 2.7Å; R268-D294 IonicContact CZ-OD2 2.71Å; R268-D294 IonicContact NE-OD1 2.66Å; R268-D294 IonicContact NE-OD2 2.77Å; R268-D294 PolarHBondContact NE-OD2 2.83Å; R268-D294 IonicContact NH2-OD1 3.15Å; R268-D294 PolarHBondContact NH2-OD1 3.29Å; R268-D294 IonicContact NH2-OD2 3.65Å; R268-D294 PolarHBondContact NH2-OD2 2.97Å; G269-D294 PolarHBondContact O-N 3.06Å; M270-D294 CarbonylContact C-O 3.55Å; M270-D294 WeakPolarHBondContact CA-O 3.48Å; M270-D294 HydrophobicContact CE-CB 4.08Å; M270-D294 HydrophobicContact SD-CB 4.24Å; L271-D294 PolarHBondContact N-O 2.9Å
295Q87.9Confident76.4Confident47 Ų4764 Ų6422%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-121.5140.2-178.564.1174.911.500111.7L271 L288L271-Q295 CarbonylContact O-C 3.56Å; L271-Q295 WeakPolarHBondContact O-CA 3.32Å; L288-Q295 HydrophobicContact CD1-CB 4Å; L288-Q295 HydrophobicContact CD1-CG 4.43Å
296I88.4Confident75.5Confident4 Ų470 Ų702%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-114.5120.4167.8-69.5167.1000107.2Y154 F157 I161 F163 M270 L271 I272 W273Y154-I296 HydrophobicContact CE2-CG2 3.91Å; Y154-I296 WeakPolarHBondContact OH-CG2 3.37Å; F157-I296 HydrophobicContact CE1-CG1 4.23Å; F157-I296 HydrophobicContact CE1-CG2 4.32Å; I161-I296 HydrophobicContact CD1-CD1 3.47Å; I161-I296 VanDerWaalsContact CD1-CD1 3.47Å; I161-I296 HydrophobicContact CD1-CG1 3.59Å; F163-I296 HydrophobicContact CE1-CD1 4.39Å; F163-I296 HydrophobicContact CZ-CD1 4.41Å; M270-I296 HydrophobicContact CE-CD1 3.74Å; M270-I296 HydrophobicContact CE-CG1 4.07Å; M270-I296 HydrophobicContact CG-CD1 4.1Å; M270-I296 HydrophobicContact SD-CB 4.32Å; M270-I296 HydrophobicContact SD-CD1 3.48Å; M270-I296 WeakPolarHBondContact SD-CD1 3.49Å; M270-I296 HydrophobicContact SD-CG1 3.52Å; M270-I296 VanDerWaalsContact SD-CG1 3.52Å; L271-I296 PolarHBondContact O-N 3.34Å; I272-I296 WeakPolarHBondContact CA-O 3.41Å; I272-I296 HydrophobicContact CG1-CB 4.23Å; I272-I296 HydrophobicContact CG1-CD1 4.33Å; I272-I296 HydrophobicContact CG2-CG2 4.33Å; W273-I296 PolarHBondContact N-O 3.12Å; W273-I296 VanDerWaalsContact N-O 3.16Å
297M85.9Confident75Confident42 Ų4266.8 Ų66.821%0.20734%0.341CS..EExtended strand (participates in β ladder)trans-99.7126.3175.9-72.7171.4172.200109.9Y154 W273 A275 H279 R280Y154-M297 WeakPolarHBondContact CE2-O 3.43Å; W273-M297 CarbonylContact O-C 3.58Å; W273-M297 WeakPolarHBondContact O-CA 3.23Å; A275-M297 HydrophobicContact CB-CB 4.17Å; H279-M297 HydrophobicContact CB-CE 3.81Å; H279-M297 WeakPolarHBondContact O-CE 3.43Å; R280-M297 HydrophobicContact CG-CE 3.95Å; R280-M297 HydrophobicContact CG-SD 3.82Å
298I80.6Confident74.9Confident18 Ų1866.9 Ų66.99%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-78.8126.9174.5-51.1-169000108.9I272 W273 A275 M302 L304I272-I298 HydrophobicContact CG2-CD1 4.08Å; I272-I298 HydrophobicContact CG2-CG1 4.18Å; W273-I298 PolarHBondContact O-N 3.19Å; A275-I298 WeakPolarHBondContact CB-O 3.44Å; A275-I298 PolarHBondContact N-O 3.4Å; I298-M302 HydrophobicContact CG2-CB 3.67Å; I298-M302 WeakPolarHBondContact CG2-O 3.3Å; I298-L304 HydrophobicContact CD1-CB 4.21Å; I298-L304 HydrophobicContact CD1-CD1 3.38Å; I298-L304 HydrophobicContact CD1-CG 3.39Å; I298-L304 HydrophobicContact CG1-CD1 4.26Å
299P71.6Confident74.9Confident33 Ų3373.4 Ų73.421%0.21437%0.37CS..PPolyproline II helixtrans-59.2148.5-179.3-23.331.8000112.9Y154 G301 M302Y154-P299 VanDerWaalsContact CD2-CD 3.46Å; Y154-P299 HydrophobicContact CD2-CG 3.79Å; Y154-P299 HydrophobicContact CG-CG 3.96Å; P299-G301 PolarHBondContact O-N 3.5Å; P299-M302 HydrophobicContact CB-SD 4.29Å; P299-M302 HydrophobicContact CG-SD 4.04Å; P299-M302 WeakPolarHBondContact O-CB 3.35Å; P299-M302 PolarHBondContact O-N 2.95Å; P299-M302 VanDerWaalsContact O-O 3.05Å
300A63.3Low75Confident71 Ų7169.1 Ų69.159%0.58735%0.354SS*.THydrogen-bonded Turntrans-57.5129.9173.400000111.2
301G58.5Low75.2Confident61 Ų6162.3 Ų62.363%0.62932%0.323SS*.THydrogen-bonded Turntrans93-9.5-173.200000114.1P299P299-G301 PolarHBondContact O-N 3.5Å
302M61.6Low75.5Confident58 Ų5861 Ų6129%0.28632%0.32SS..  trans-109.8114.3167.7-58-177.381.300106.5A151 Y154 I298 P299A151-M302 HydrophobicContact CB-CE 3.56Å; A151-M302 HydrophobicContact CB-SD 4.1Å; Y154-M302 HydrophobicContact CD1-CE 4.3Å; I298-M302 HydrophobicContact CG2-CB 3.67Å; I298-M302 WeakPolarHBondContact CG2-O 3.3Å; P299-M302 HydrophobicContact CB-SD 4.29Å; P299-M302 HydrophobicContact CG-SD 4.04Å; P299-M302 WeakPolarHBondContact O-CB 3.35Å; P299-M302 PolarHBondContact O-N 2.95Å; P299-M302 VanDerWaalsContact O-O 3.05Å
303T55.9Low75.5Confident100 Ų10056.3 Ų56.361%0.61331%0.307SS*.  trans-99.6152.9-176.6-23.30000110.1S305T303-S305 PolarHBondContact O-N 3.37Å
304L57.2Low75.7Confident29 Ų2960.2 Ų60.215%0.15232%0.322CS..  trans-65.655.1161-108.7137.5000110.1A173 D175 I272 I298 R306A173-L304 HydrophobicContact CB-CD2 3.94Å; D175-L304 VanDerWaalsContact OD2-CB 3.31Å; D175-L304 WeakPolarHBondContact OD2-CB 3.31Å; I272-L304 HydrophobicContact CG2-CD1 4.42Å; I298-L304 HydrophobicContact CD1-CB 4.21Å; I298-L304 HydrophobicContact CD1-CD1 3.38Å; I298-L304 HydrophobicContact CD1-CG 3.39Å; I298-L304 HydrophobicContact CG1-CD1 4.26Å; L304-R306 PolarHBondContact O-N 2.66Å; L304-R306 VanDerWaalsContact O-N 3.14Å
305S55.9Low75.7Confident72 Ų7258.6 Ų58.650%0.50331%0.313SS..Hα-helixtrans-66.6-22-16660.20000113.1T303 K309T303-S305 PolarHBondContact O-N 3.37Å; S305-K309 WeakPolarHBondContact O-CB 3.29Å; S305-K309 PolarHBondContact O-N 3.15Å
306R62.3Low75.5Confident229 Ų22961.5 Ų61.586%0.86432%0.322SS*.Hα-helixtrans-74-33-175-62.5-172.374.5179.82.4113.9L304 P310L304-R306 PolarHBondContact O-N 2.66Å; L304-R306 VanDerWaalsContact O-N 3.14Å; R306-P310 VanDerWaalsContact O-CD 3.27Å; R306-P310 WeakPolarHBondContact O-CD 3.31Å; R306-P310 WeakPolarHBondContact O-CG 3.24Å
307L70.5Confident75.4Confident14 Ų1465.4 Ų65.47%0.07335%0.346CS..Hα-helixtrans-86.8-44.2177.8-174.666.6000111.6L212 I214 K309 P310 W351 I354L212-L307 HydrophobicContact CB-CD2 4.17Å; I214-L307 HydrophobicContact CB-CD1 4.49Å; I214-L307 HydrophobicContact CB-CD2 4.5Å; I214-L307 HydrophobicContact CD1-CD1 4.23Å; I214-L307 HydrophobicContact CG2-CD1 4.21Å; I214-L307 HydrophobicContact CG2-CD2 3.94Å; L307-K309 PolarHBondContact O-N 2.96Å; L307-P310 WeakPolarHBondContact O-CD 3.35Å; L307-P310 WeakPolarHBondContact O-CG 3.38Å; L307-W351 HydrophobicContact CD1-CH2 3.95Å; L307-W351 HydrophobicContact CD1-CZ3 3.85Å; L307-W351 HydrophobicContact CD2-CH2 4.2Å; L307-W351 HydrophobicContact CD2-CZ3 4.39Å; L307-W351 HydrophobicContact CG-CH2 4.47Å; L307-W351 HydrophobicContact CG-CZ3 4.29Å; L307-I354 HydrophobicContact CD1-CG2 3.94Å
308N79Confident75.5Confident14 Ų1464.4 Ų64.48%0.07534%0.341CS..Hα-helixtrans-69.3-36.2-171.8-74.5-13000113.9D175 K312D175-N308 PolarHBondContact OD2-ND2 3.24Å; D175-N308 PolarHBondContact OD2-OD1 3.27Å; N308-K312 VanDerWaalsContact O-CB 3.31Å; N308-K312 WeakPolarHBondContact O-CB 3.35Å; N308-K312 VanDerWaalsContact O-CG 3.24Å; N308-K312 WeakPolarHBondContact O-CG 3.23Å; N308-K312 PolarHBondContact O-N 3.12Å
309K82.9Confident75.7Confident141 Ų14163.9 Ų63.961%0.61334%0.338SS*.Hα-helixtrans-61.7-58.9-177-179.6172.2-179.8171.90112.2S305 L307 F311 K312 D313S305-K309 WeakPolarHBondContact O-CB 3.29Å; S305-K309 PolarHBondContact O-N 3.15Å; L307-K309 PolarHBondContact O-N 2.96Å; K309-F311 PolarHBondContact O-N 3.11Å; K309-K312 PolarHBondContact O-N 3.22Å; K309-K312 VanDerWaalsContact O-N 3.13Å; K309-D313 VanDerWaalsContact O-CG 3.22Å; K309-D313 PolarHBondContact O-N 2.81Å
310P87.3Confident76.2Confident46 Ų4664.2 Ų64.230%0.29934%0.338SS..Hα-helixtrans-60.6-36.5-179.424.1-34.3000111.9R306 L307 D313 Y314 I354R306-P310 VanDerWaalsContact O-CD 3.27Å; R306-P310 WeakPolarHBondContact O-CD 3.31Å; R306-P310 WeakPolarHBondContact O-CG 3.24Å; L307-P310 WeakPolarHBondContact O-CD 3.35Å; L307-P310 WeakPolarHBondContact O-CG 3.38Å; P310-D313 PolarHBondContact O-N 3.28Å; P310-Y314 WeakPolarHBondContact O-CD2 3.37Å; P310-Y314 PolarHBondContact O-N 2.85Å; P310-I354 HydrophobicContact CB-CD1 3.62Å; P310-I354 HydrophobicContact CG-CD1 3.86Å
311F89.1Confident77.1Confident0 Ų063.8 Ų63.80%033%0.326CS..Hα-helixtrans-63.6-45.9176176.1-98.6000112.1I177 L212 K309 D313 Y314 L315 V347 W351 I354I177-F311 HydrophobicContact CD1-CD1 3.77Å; I177-F311 HydrophobicContact CD1-CE1 4Å; I177-F311 HydrophobicContact CG2-CD1 4.49Å; I177-F311 HydrophobicContact CG2-CE1 4.11Å; L212-F311 HydrophobicContact CD1-CB 4.22Å; L212-F311 HydrophobicContact CD1-CD1 3.6Å; L212-F311 HydrophobicContact CD1-CD2 4.03Å; L212-F311 HydrophobicContact CD1-CE1 3.89Å; L212-F311 HydrophobicContact CD1-CE2 4.28Å; L212-F311 HydrophobicContact CD1-CG 3.66Å; L212-F311 HydrophobicContact CD1-CZ 4.21Å; L212-F311 HydrophobicContact CD2-CE2 4.28Å; L212-F311 HydrophobicContact CD2-CZ 4.3Å; K309-F311 PolarHBondContact O-N 3.11Å; F311-D313 VanDerWaalsContact C-N 3.26Å; F311-D313 PolarHBondContact O-N 2.91Å; F311-Y314 PolarHBondContact O-N 2.77Å; F311-L315 HydrophobicContact CE1-CD2 3.95Å; F311-L315 HydrophobicContact CZ-CD2 4.45Å; F311-L315 WeakPolarHBondContact O-CB 3.43Å; F311-L315 PolarHBondContact O-N 2.9Å; F311-V347 HydrophobicContact CZ-CG1 4.2Å; F311-V347 HydrophobicContact CZ-CG2 4.45Å; F311-W351 AromaticContact CD2-CE3 3.95Å; F311-W351 HydrophobicContact CD2-CE3 3.95Å; F311-W351 HydrophobicContact CE2-CB 4.16Å; F311-W351 HydrophobicContact CE2-CE3 4.38Å; F311-I354 HydrophobicContact CB-CD1 3.97Å; F311-I354 HydrophobicContact CB-CG1 4.19Å; F311-I354 HydrophobicContact CD2-CG1 4.4Å; F311-I354 VanDerWaalsContact N-CD1 3.3Å
312K85.8Confident78.4Confident83 Ų8361.8 Ų61.836%0.36130%0.3SS..Hα-helixtrans-61.3-36.3175.1-78.1178.7-178.8-1770112I177 N308 K309 L315 R316I177-K312 HydrophobicContact CD1-CD 3.91Å; I177-K312 HydrophobicContact CD1-CG 3.41Å; I177-K312 VanDerWaalsContact CD1-CG 3.41Å; N308-K312 VanDerWaalsContact O-CB 3.31Å; N308-K312 WeakPolarHBondContact O-CB 3.35Å; N308-K312 VanDerWaalsContact O-CG 3.24Å; N308-K312 WeakPolarHBondContact O-CG 3.23Å; N308-K312 PolarHBondContact O-N 3.12Å; K309-K312 PolarHBondContact O-N 3.22Å; K309-K312 VanDerWaalsContact O-N 3.13Å; K312-L315 PolarHBondContact O-N 3.22Å; K312-R316 WeakPolarHBondContact O-CB 3.49Å; K312-R316 VanDerWaalsContact O-CG 3.22Å; K312-R316 WeakPolarHBondContact O-CG 3.47Å; K312-R316 PolarHBondContact O-N 3.23Å
313D86.9Confident79.1Confident67 Ų6760.8 Ų60.836%0.35830%0.295SS..Hα-helixtrans-66.7-47.2179.8-65.4-19.5000110.6K309 P310 F311 R316 V317K309-D313 VanDerWaalsContact O-CG 3.22Å; K309-D313 PolarHBondContact O-N 2.81Å; P310-D313 PolarHBondContact O-N 3.28Å; F311-D313 VanDerWaalsContact C-N 3.26Å; F311-D313 PolarHBondContact O-N 2.91Å; D313-R316 PolarHBondContact O-N 3.13Å; D313-R316 IonicContact OD1-NH1 2.77Å; D313-R316 PolarHBondContact OD1-NH1 3.41Å; D313-V317 PolarHBondContact O-N 3.19Å
314Y90.8Very high80.1Confident92 Ų9263.1 Ų63.136%0.36130%0.299SS..Hα-helixtrans-65.7-39173.7-65.4-52.9000113P310 F311 R316 V317 E318 K353 I354P310-Y314 WeakPolarHBondContact O-CD2 3.37Å; P310-Y314 PolarHBondContact O-N 2.85Å; F311-Y314 PolarHBondContact O-N 2.77Å; Y314-R316 VanDerWaalsContact C-N 3.29Å; Y314-R316 PolarHBondContact O-N 3.3Å; Y314-V317 WeakPolarHBondContact O-CB 3.44Å; Y314-V317 PolarHBondContact O-N 3.46Å; Y314-V317 VanDerWaalsContact O-N 3.11Å; Y314-E318 PolarHBondContact O-N 2.97Å; Y314-K353 HydrophobicContact CD1-CB 4.15Å; Y314-K353 HydrophobicContact CD1-CD 3.63Å; Y314-K353 HydrophobicContact CD1-CG 4.49Å; Y314-K353 HydrophobicContact CD2-CB 3.59Å; Y314-K353 HydrophobicContact CD2-CD 4.44Å; Y314-K353 HydrophobicContact CE1-CB 4.17Å; Y314-K353 HydrophobicContact CE1-CD 4.09Å; Y314-K353 HydrophobicContact CE2-CB 3.62Å; Y314-K353 HydrophobicContact CG-CB 3.88Å; Y314-K353 HydrophobicContact CG-CD 3.84Å; Y314-I354 HydrophobicContact CD2-CD1 3.87Å; Y314-I354 HydrophobicContact CE2-CD1 4.03Å
315L89.3Confident81.2Confident9 Ų967.1 Ų67.15%0.04732%0.321CS..Hα-helixtrans-61.8-38.6178.1-177.468000111.9V179 F311 K312 V317 E318 I319 W346 V347 S350V179-L315 HydrophobicContact CB-CD2 4.35Å; V179-L315 HydrophobicContact CG1-CD1 4.31Å; V179-L315 HydrophobicContact CG1-CD2 4.02Å; V179-L315 HydrophobicContact CG2-CD2 3.87Å; F311-L315 HydrophobicContact CE1-CD2 3.95Å; F311-L315 HydrophobicContact CZ-CD2 4.45Å; F311-L315 WeakPolarHBondContact O-CB 3.43Å; F311-L315 PolarHBondContact O-N 2.9Å; K312-L315 PolarHBondContact O-N 3.22Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 2.97Å; L315-E318 PolarHBondContact O-N 3.32Å; L315-I319 HydrophobicContact CD1-CD1 4.33Å; L315-I319 HydrophobicContact CD2-CD1 4.43Å; L315-I319 HydrophobicContact CG-CD1 3.86Å; L315-I319 VanDerWaalsContact O-CG1 3.3Å; L315-I319 WeakPolarHBondContact O-CG1 3.48Å; L315-I319 PolarHBondContact O-N 3.01Å; L315-W346 HydrophobicContact CD1-CB 3.9Å; L315-V347 HydrophobicContact CD1-CG2 4.38Å; L315-S350 WeakPolarHBondContact CA-OG 3.44Å; L315-S350 PolarHBondContact N-OG 3.08Å
316R83.6Confident82.6Confident108 Ų10868.3 Ų68.341%0.40831%0.314SS..Hα-helixtrans-62.6-37.6174.6-76.6171.7-170.3125.4-4.1112.3K312 D313 Y314 I319 N320K312-R316 WeakPolarHBondContact O-CB 3.49Å; K312-R316 VanDerWaalsContact O-CG 3.22Å; K312-R316 WeakPolarHBondContact O-CG 3.47Å; K312-R316 PolarHBondContact O-N 3.23Å; D313-R316 PolarHBondContact O-N 3.13Å; D313-R316 IonicContact OD1-NH1 2.77Å; D313-R316 PolarHBondContact OD1-NH1 3.41Å; Y314-R316 VanDerWaalsContact C-N 3.29Å; Y314-R316 PolarHBondContact O-N 3.3Å; R316-I319 PolarHBondContact O-N 3.45Å; R316-N320 VanDerWaalsContact O-CB 3.3Å; R316-N320 WeakPolarHBondContact O-CB 3.36Å; R316-N320 PolarHBondContact O-N 3.05Å; R316-N320 PolarHBondContact O-OD1 3.07Å
317V85.3Confident83.5Confident86 Ų8658.5 Ų58.552%0.52128%0.278SS..Hα-helixtrans-62-45.8176.3176.20000110.5D313 Y314 L315 N320 D321D313-V317 PolarHBondContact O-N 3.19Å; Y314-V317 WeakPolarHBondContact O-CB 3.44Å; Y314-V317 PolarHBondContact O-N 3.46Å; Y314-V317 VanDerWaalsContact O-N 3.11Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 2.97Å; V317-N320 PolarHBondContact O-N 3.4Å; V317-D321 WeakPolarHBondContact O-CB 3.44Å; V317-D321 PolarHBondContact O-N 3.48Å
318E88.4Confident84.1Confident22 Ų2263.6 Ų63.610%0.10330%0.302CS..Hα-helixtrans-65.2-39.7178.4-56.3-73.4144.900112.2Y314 L315 Y322 W346 N349 K353Y314-E318 PolarHBondContact O-N 2.97Å; L315-E318 PolarHBondContact O-N 3.32Å; E318-Y322 WeakPolarHBondContact O-CB 3.44Å; E318-Y322 PolarHBondContact O-N 3.5Å; E318-Y322 VanDerWaalsContact O-N 3.08Å; E318-W346 HydrophobicContact CB-CB 3.82Å; E318-W346 HydrophobicContact CB-CG 3.95Å; E318-W346 HydrophobicContact CG-CB 4.42Å; E318-N349 HydrophobicContact CG-CB 4.28Å; E318-N349 PolarHBondContact OE2-ND2 3.1Å; E318-K353 IonicContact OE1-NZ 2.89Å; E318-K353 PolarHBondContact OE1-NZ 2.89Å
319I84.4Confident84.3Confident6 Ų670 Ų703%0.03133%0.325CS..Hα-helixtrans-67.7-44.4177.5-68.7167.1000110.9F180 L315 R316 Y322 I323 W346F180-I319 WeakPolarHBondContact O-CD1 3.36Å; L315-I319 HydrophobicContact CD1-CD1 4.33Å; L315-I319 HydrophobicContact CD2-CD1 4.43Å; L315-I319 HydrophobicContact CG-CD1 3.86Å; L315-I319 VanDerWaalsContact O-CG1 3.3Å; L315-I319 WeakPolarHBondContact O-CG1 3.48Å; L315-I319 PolarHBondContact O-N 3.01Å; R316-I319 PolarHBondContact O-N 3.45Å; I319-Y322 PolarHBondContact O-N 3.29Å; I319-I323 HydrophobicContact CG2-CD1 3.61Å; I319-I323 HydrophobicContact CG2-CG1 4.33Å; I319-I323 VanDerWaalsContact O-CG1 3.3Å; I319-I323 WeakPolarHBondContact O-CG1 3.32Å; I319-I323 PolarHBondContact O-N 3.5Å; I319-W346 HydrophobicContact CD1-CE3 4.45Å; I319-W346 HydrophobicContact CG1-CD2 4.21Å; I319-W346 HydrophobicContact CG1-CE3 3.65Å; I319-W346 HydrophobicContact CG1-CZ3 3.87Å
320N81.9Confident84.2Confident41 Ų4166.5 Ų66.522%0.21931%0.313CS..Hα-helixtrans-62.6-46.9178.5-73.8-6.5000110.9A184 A185 R316 V317 Y322 I323 E324A184-N320 WeakPolarHBondContact CA-OD1 3.28Å; A184-N320 WeakPolarHBondContact CB-OD1 3.24Å; A185-N320 PolarHBondContact N-OD1 3.25Å; R316-N320 VanDerWaalsContact O-CB 3.3Å; R316-N320 WeakPolarHBondContact O-CB 3.36Å; R316-N320 PolarHBondContact O-N 3.05Å; R316-N320 PolarHBondContact O-OD1 3.07Å; V317-N320 PolarHBondContact O-N 3.4Å; N320-Y322 VanDerWaalsContact C-N 3.28Å; N320-Y322 PolarHBondContact O-N 3.44Å; N320-I323 PolarHBondContact O-N 3.48Å; N320-I323 VanDerWaalsContact O-N 3.17Å; N320-E324 WeakPolarHBondContact O-CB 3.21Å; N320-E324 WeakPolarHBondContact O-CG 3.48Å; N320-E324 PolarHBondContact O-N 3.11Å
321D83.3Confident83.8Confident62 Ų6271.9 Ų71.933%0.33234%0.344SS..Hα-helixtrans-56.4-43.5175170.372.9000111.7V317 N325 R326V317-D321 WeakPolarHBondContact O-CB 3.44Å; V317-D321 PolarHBondContact O-N 3.48Å; D321-N325 VanDerWaalsContact O-CB 3.31Å; D321-N325 WeakPolarHBondContact O-CB 3.39Å; D321-N325 PolarHBondContact O-N 3.45Å; D321-N325 PolarHBondContact O-ND2 2.74Å; D321-N325 PolarHBondContact OD1-ND2 3.02Å; D321-R326 IonicContact OD2-CZ 2.67Å; D321-R326 IonicContact OD2-NE 3.07Å; D321-R326 PolarHBondContact OD2-NE 3.27Å; D321-R326 IonicContact OD2-NH2 3.12Å; D321-R326 PolarHBondContact OD2-NH2 3.3Å
322Y84.4Confident83.3Confident19 Ų1982.1 Ų82.18%0.07538%0.383CS..Hα-helixtrans-63.2-46177179.2-95.5000112.3E318 I319 N320 E324 R326 M327 P338 E342 W346E318-Y322 WeakPolarHBondContact O-CB 3.44Å; E318-Y322 PolarHBondContact O-N 3.5Å; E318-Y322 VanDerWaalsContact O-N 3.08Å; I319-Y322 PolarHBondContact O-N 3.29Å; N320-Y322 VanDerWaalsContact C-N 3.28Å; N320-Y322 PolarHBondContact O-N 3.44Å; Y322-E324 VanDerWaalsContact C-N 3.34Å; Y322-E324 PolarHBondContact O-N 3.49Å; Y322-R326 HydrophobicContact CD2-CB 3.72Å; Y322-R326 HydrophobicContact CE2-CB 4.01Å; Y322-R326 HydrophobicContact CG-CB 4.4Å; Y322-R326 CarbonylContact O-C 3.4Å; Y322-R326 WeakPolarHBondContact O-CA 3.39Å; Y322-R326 PolarHBondContact O-N 3.4Å; Y322-M327 HydrophobicContact CD1-CB 4.34Å; Y322-M327 HydrophobicContact CE1-CB 4.09Å; Y322-M327 HydrophobicContact CE1-CG 4Å; Y322-M327 PolarHBondContact O-N 3.35Å; Y322-P338 HydrophobicContact CD1-CG 4.47Å; Y322-P338 HydrophobicContact CE1-CB 4.05Å; Y322-P338 HydrophobicContact CE1-CG 3.76Å; Y322-E342 HydrophobicContact CE2-CB 4.47Å; Y322-E342 HydrophobicContact CE2-CG 4.08Å; Y322-W346 AromaticContact CD1-CH2 3.91Å; Y322-W346 HydrophobicContact CD1-CH2 3.91Å; Y322-W346 AromaticContact CD1-CZ2 3.49Å; Y322-W346 HydrophobicContact CD1-CZ2 3.49Å; Y322-W346 VanDerWaalsContact CD1-CZ2 3.49Å; Y322-W346 AromaticContact CD2-CZ2 3.71Å; Y322-W346 HydrophobicContact CD2-CZ2 3.71Å; Y322-W346 HydrophobicContact CE1-CH2 4.31Å; Y322-W346 HydrophobicContact CE1-CZ2 4.02Å; Y322-W346 HydrophobicContact CE2-CZ2 4.22Å; Y322-W346 HydrophobicContact CG-CH2 4.18Å; Y322-W346 AromaticContact CG-CZ2 3.31Å; Y322-W346 HydrophobicContact CG-CZ2 3.31Å
323I77.8Confident82.8Confident37 Ų3779.8 Ų79.819%0.1938%0.382CS..Hα-helixtrans-63.3-41.7-179.4-69.8170000111.1A184 T201 I319 N320 M327A184-I323 HydrophobicContact CB-CD1 3.81Å; T201-I323 HydrophobicContact CG2-CD1 4.34Å; I319-I323 HydrophobicContact CG2-CD1 3.61Å; I319-I323 HydrophobicContact CG2-CG1 4.33Å; I319-I323 VanDerWaalsContact O-CG1 3.3Å; I319-I323 WeakPolarHBondContact O-CG1 3.32Å; I319-I323 PolarHBondContact O-N 3.5Å; N320-I323 PolarHBondContact O-N 3.48Å; N320-I323 VanDerWaalsContact O-N 3.17Å; I323-M327 HydrophobicContact CB-SD 4.5Å; I323-M327 HydrophobicContact CG1-SD 4.07Å; I323-M327 HydrophobicContact CG2-SD 4.35Å
324E76.9Confident82.2Confident148 Ų14881.2 Ų81.269%0.69239%0.39SS*.Hα-helixtrans-74.5-43.6-177.8-71.8173.1-171.200112.6N320 Y322N320-E324 WeakPolarHBondContact O-CB 3.21Å; N320-E324 WeakPolarHBondContact O-CG 3.48Å; N320-E324 PolarHBondContact O-N 3.11Å; Y322-E324 VanDerWaalsContact C-N 3.34Å; Y322-E324 PolarHBondContact O-N 3.49Å
325N80.3Confident81.7Confident114 Ų11478.4 Ų78.461%0.6138%0.379SS*.Hα-helixtrans-110.5-20.5-164.9-60.3-49000114.4D321D321-N325 VanDerWaalsContact O-CB 3.31Å; D321-N325 WeakPolarHBondContact O-CB 3.39Å; D321-N325 PolarHBondContact O-N 3.45Å; D321-N325 PolarHBondContact O-ND2 2.74Å; D321-N325 PolarHBondContact OD1-ND2 3.02Å
326R83.6Confident81.4Confident97 Ų9780.2 Ų80.237%0.36639%0.391SS..THydrogen-bonded Turntrans-132.1-8.4-166.6-64-175.2-79.3151-5.7114.9D321 Y322 E328 E342D321-R326 IonicContact OD2-CZ 2.67Å; D321-R326 IonicContact OD2-NE 3.07Å; D321-R326 PolarHBondContact OD2-NE 3.27Å; D321-R326 IonicContact OD2-NH2 3.12Å; D321-R326 PolarHBondContact OD2-NH2 3.3Å; Y322-R326 HydrophobicContact CD2-CB 3.72Å; Y322-R326 HydrophobicContact CE2-CB 4.01Å; Y322-R326 HydrophobicContact CG-CB 4.4Å; Y322-R326 CarbonylContact O-C 3.4Å; Y322-R326 WeakPolarHBondContact O-CA 3.39Å; Y322-R326 PolarHBondContact O-N 3.4Å; R326-E328 PolarHBondContact O-N 3.41Å; R326-E342 IonicContact NH1-OE2 2.82Å; R326-E342 PolarHBondContact NH1-OE2 3.23Å
327M81.3Confident81.3Confident22 Ų2280 Ų8011%0.10839%0.393CS..  trans-76.7116.2-175.4-163177.6-162.800111.2T201 Y203 Y322 I323 F335T201-M327 HydrophobicContact CG2-CE 3.94Å; T201-M327 HydrophobicContact CG2-SD 3.98Å; Y203-M327 HydrophobicContact CD2-CE 4.42Å; Y322-M327 HydrophobicContact CD1-CB 4.34Å; Y322-M327 HydrophobicContact CE1-CB 4.09Å; Y322-M327 HydrophobicContact CE1-CG 4Å; Y322-M327 PolarHBondContact O-N 3.35Å; I323-M327 HydrophobicContact CB-SD 4.5Å; I323-M327 HydrophobicContact CG1-SD 4.07Å; I323-M327 HydrophobicContact CG2-SD 4.35Å; M327-F335 HydrophobicContact CB-CD1 4.49Å; M327-F335 HydrophobicContact CE-CB 3.61Å; M327-F335 HydrophobicContact CE-CD1 4.1Å; M327-F335 HydrophobicContact CE-CG 3.97Å; M327-F335 HydrophobicContact CG-CD1 3.75Å; M327-F335 HydrophobicContact CG-CE1 4.34Å; M327-F335 HydrophobicContact SD-CB 4.2Å; M327-F335 HydrophobicContact SD-CD1 3.51Å; M327-F335 VanDerWaalsContact SD-CD1 3.51Å; M327-F335 HydrophobicContact SD-CE1 3.96Å; M327-F335 HydrophobicContact SD-CG 3.94Å
328E84Confident81.3Confident122 Ų12276.1 Ų76.157%0.5737%0.37SS*.  trans-82.9156.4-177.8-65.6175.9179.200112.3R326 F335 V336R326-E328 PolarHBondContact O-N 3.41Å; E328-F335 WeakPolarHBondContact O-CA 3.4Å; E328-V336 HydrophobicContact CB-CB 4.4Å; E328-V336 HydrophobicContact CB-CG2 4.24Å; E328-V336 PolarHBondContact O-N 2.93Å
329R82.9Confident81.3Confident148 Ų14883.7 Ų83.756%0.55840%0.397SS*.BIsolated β-bridgetrans-111.9141.6169.3-66.5178.6-179.3-100.73.4110G333 N334 F335R329-G333 PolarHBondContact NH1-O 3.4Å; R329-N334 CarbonylContact C-O 3.5Å; R329-N334 VanDerWaalsContact CA-O 3.26Å; R329-N334 WeakPolarHBondContact CA-O 3.36Å; R329-F335 HydrophobicContact CG-CD1 4.13Å; R329-F335 HydrophobicContact CG-CE1 4.38Å
330N81.5Confident81.4Confident68 Ų6885.4 Ų85.436%0.36441%0.406SS..  trans-76.6175.8173.771.216.1000111.4R332 G333 N334 V336N330-R332 PolarHBondContact O-N 2.65Å; N330-R332 WeakPolarHBondContact OD1-CA 3.3Å; N330-R332 WeakPolarHBondContact OD1-CB 3.46Å; N330-R332 PolarHBondContact OD1-N 3.03Å; N330-G333 PolarHBondContact O-N 2.89Å; N330-G333 PolarHBondContact OD1-N 2.98Å; N330-N334 PolarHBondContact N-O 3.03Å; N330-N334 PolarHBondContact OD1-N 3.31Å; N330-N334 PolarHBondContact OD1-O 3.28Å; N330-V336 HydrophobicContact CB-CG2 4.13Å
331V79.3Confident81.7Confident158 Ų15886.4 Ų86.496%0.95842%0.415SS*.THydrogen-bonded Turntrans-57.4-20.2179.7-167.20000113.1
332R78.4Confident82.1Confident216 Ų21686 Ų8682%0.81541%0.411SS*.THydrogen-bonded Turntrans-94.46.5177.3-57.4-176.9-179.7-166.7-1.1113.1N330 N334N330-R332 PolarHBondContact O-N 2.65Å; N330-R332 WeakPolarHBondContact OD1-CA 3.3Å; N330-R332 WeakPolarHBondContact OD1-CB 3.46Å; N330-R332 PolarHBondContact OD1-N 3.03Å; R332-N334 VanDerWaalsContact C-N 3.28Å; R332-N334 PolarHBondContact O-N 3.02Å
333G73.8Confident82.3Confident33 Ų3385.2 Ų85.234%0.3441%0.408SS..SBendtrans79.21.4-179.600000115.3R329 N330R329-G333 PolarHBondContact NH1-O 3.4Å; N330-G333 PolarHBondContact O-N 2.89Å; N330-G333 PolarHBondContact OD1-N 2.98Å
334N75.9Confident83Confident97 Ų9783.4 Ų83.452%0.51940%0.399SS..PPolyproline II helixtrans-83.4144.5179.7-62.5-26.7000110.8R329 N330 R332R329-N334 CarbonylContact C-O 3.5Å; R329-N334 VanDerWaalsContact CA-O 3.26Å; R329-N334 WeakPolarHBondContact CA-O 3.36Å; N330-N334 PolarHBondContact N-O 3.03Å; N330-N334 PolarHBondContact OD1-N 3.31Å; N330-N334 PolarHBondContact OD1-O 3.28Å; R332-N334 VanDerWaalsContact C-N 3.28Å; R332-N334 PolarHBondContact O-N 3.02Å
335F79.3Confident83.7Confident33 Ų3378.8 Ų78.815%0.14538%0.379CS..BIsolated β-bridgetrans-58.7145.8173.6-69.4-69.5000112.1S200 Y203 M327 E328 R329S200-F335 WeakPolarHBondContact O-CD2 3.47Å; Y203-F335 WeakPolarHBondContact CE2-O 3.5Å; M327-F335 HydrophobicContact CB-CD1 4.49Å; M327-F335 HydrophobicContact CE-CB 3.61Å; M327-F335 HydrophobicContact CE-CD1 4.1Å; M327-F335 HydrophobicContact CE-CG 3.97Å; M327-F335 HydrophobicContact CG-CD1 3.75Å; M327-F335 HydrophobicContact CG-CE1 4.34Å; M327-F335 HydrophobicContact SD-CB 4.2Å; M327-F335 HydrophobicContact SD-CD1 3.51Å; M327-F335 VanDerWaalsContact SD-CD1 3.51Å; M327-F335 HydrophobicContact SD-CE1 3.96Å; M327-F335 HydrophobicContact SD-CG 3.94Å; E328-F335 WeakPolarHBondContact O-CA 3.4Å; R329-F335 HydrophobicContact CG-CD1 4.13Å; R329-F335 HydrophobicContact CG-CE1 4.38Å
336V82.4Confident84.3Confident48 Ų4873.4 Ų73.429%0.29135%0.35SS..PPolyproline II helixtrans-93.9138.8177.1-179.10000109.7E328 N330E328-V336 HydrophobicContact CB-CB 4.4Å; E328-V336 HydrophobicContact CB-CG2 4.24Å; E328-V336 PolarHBondContact O-N 2.93Å; N330-V336 HydrophobicContact CB-CG2 4.13Å
337K82.9Confident84.8Confident104 Ų10468.8 Ų68.845%0.45233%0.333SS..PPolyproline II helixtrans-60132.4177.4-170.7-176.4174.5-176.10110.6M181 Y203 R339M181-K337 HydrophobicContact SD-CD 4.48Å; M181-K337 WeakPolarHBondContact SD-CE 3.4Å; M181-K337 HydrophobicContact SD-CG 4.33Å; Y203-K337 HydrophobicContact CD1-CB 4.23Å; Y203-K337 HydrophobicContact CD1-CG 4.1Å; Y203-K337 HydrophobicContact CD2-CB 4.39Å; Y203-K337 HydrophobicContact CE1-CB 3.75Å; Y203-K337 HydrophobicContact CE1-CD 4.4Å; Y203-K337 HydrophobicContact CE1-CG 4.04Å; Y203-K337 VanDerWaalsContact CE2-CA 3.48Å; Y203-K337 HydrophobicContact CE2-CB 3.92Å; Y203-K337 VanDerWaalsContact CE2-N 3.26Å; Y203-K337 HydrophobicContact CG-CG 4.44Å; Y203-K337 PolarHBondContact OH-N 3.46Å; K337-R339 PolarHBondContact O-N 3.01Å
338P85.4Confident85.3Confident4 Ų471.2 Ų71.23%0.02634%0.343CS..PPolyproline II helixtrans-56.5135.5171.4-22.231.3000111.5M181 Y322 I343 W346M181-P338 HydrophobicContact CB-CG 4.22Å; Y322-P338 HydrophobicContact CD1-CG 4.47Å; Y322-P338 HydrophobicContact CE1-CB 4.05Å; Y322-P338 HydrophobicContact CE1-CG 3.76Å; P338-I343 HydrophobicContact CB-CD1 4.49Å; P338-I343 HydrophobicContact CB-CG1 4.24Å; P338-W346 HydrophobicContact CB-CH2 3.62Å; P338-W346 HydrophobicContact CB-CZ2 4.17Å; P338-W346 HydrophobicContact CB-CZ3 4.47Å; P338-W346 HydrophobicContact CG-CH2 3.75Å
339R87.8Confident85.8Confident181 Ų18168.4 Ų68.468%0.68333%0.331SS*.PPolyproline II helixtrans-75.1152177.1-59.3-177.2-175.3176.64.2110K337 P341 E342 I343K337-R339 PolarHBondContact O-N 3.01Å; R339-P341 VanDerWaalsContact C-CD 3.49Å; R339-P341 VanDerWaalsContact C-N 3.35Å; R339-E342 WeakPolarHBondContact O-CB 3.47Å; R339-E342 PolarHBondContact O-N 3.43Å; R339-I343 PolarHBondContact O-N 2.73Å
340L85.8Confident86.3Confident41 Ų4161.3 Ų61.322%0.21531%0.305CS..Hα-helixtrans-55.9-40.4-179-171.758.6000113.9V208 A227 V242 E342 I343 V344V208-L340 HydrophobicContact CG1-CD1 4.39Å; A227-L340 HydrophobicContact CB-CD1 4.03Å; A227-L340 HydrophobicContact CB-CD2 4.2Å; V242-L340 HydrophobicContact CG1-CD2 3.65Å; V242-L340 HydrophobicContact CG1-CG 4.35Å; L340-E342 VanDerWaalsContact C-N 3.28Å; L340-E342 PolarHBondContact O-N 3.17Å; L340-I343 PolarHBondContact O-N 3.35Å; L340-V344 HydrophobicContact CG-CG2 4.42Å; L340-V344 WeakPolarHBondContact O-CG2 3.45Å; L340-V344 PolarHBondContact O-N 3.01Å
341P89.3Confident86.8Confident62 Ų6258.5 Ų58.540%0.40329%0.289SS..Hα-helixtrans-60.1-32.6174.8-26.336.9000114.6V237 R339 V344 N345V237-P341 HydrophobicContact CG1-CB 4.32Å; V237-P341 HydrophobicContact CG1-CG 4.43Å; R339-P341 VanDerWaalsContact C-CD 3.49Å; R339-P341 VanDerWaalsContact C-N 3.35Å; P341-V344 PolarHBondContact O-N 3.15Å; P341-N345 PolarHBondContact O-N 3.17Å; P341-N345 PolarHBondContact O-ND2 3.04Å
342E90.6Very high87.4Confident54 Ų5455.8 Ų55.825%0.25227%0.269SS..Hα-helixtrans-66.5-47.3175.2-70.1-58.7132.800110.8Y322 R326 R339 L340 V344 N345 W346Y322-E342 HydrophobicContact CE2-CB 4.47Å; Y322-E342 HydrophobicContact CE2-CG 4.08Å; R326-E342 IonicContact NH1-OE2 2.82Å; R326-E342 PolarHBondContact NH1-OE2 3.23Å; R339-E342 WeakPolarHBondContact O-CB 3.47Å; R339-E342 PolarHBondContact O-N 3.43Å; L340-E342 VanDerWaalsContact C-N 3.28Å; L340-E342 PolarHBondContact O-N 3.17Å; E342-V344 VanDerWaalsContact C-N 3.26Å; E342-V344 PolarHBondContact O-N 3.38Å; E342-N345 WeakPolarHBondContact O-CB 3.47Å; E342-N345 PolarHBondContact O-N 3.04Å; E342-W346 HydrophobicContact CB-CZ2 4.21Å; E342-W346 VanDerWaalsContact O-CD1 3.29Å; E342-W346 PolarHBondContact O-N 3.09Å
343I90Very high88Confident2 Ų250.1 Ų50.11%0.0125%0.25CS..Hα-helixtrans-60.3-41.3178.3-57.4169.3000110.5V179 M181 V208 P338 R339 L340 N345 W346 V347V179-I343 HydrophobicContact CG1-CG2 4.07Å; M181-I343 HydrophobicContact CE-CD1 3.66Å; M181-I343 HydrophobicContact CG-CD1 3.73Å; M181-I343 HydrophobicContact SD-CD1 3.85Å; V208-I343 HydrophobicContact CG1-CD1 4.49Å; V208-I343 HydrophobicContact CG2-CG2 3.73Å; P338-I343 HydrophobicContact CB-CD1 4.49Å; P338-I343 HydrophobicContact CB-CG1 4.24Å; R339-I343 PolarHBondContact O-N 2.73Å; L340-I343 PolarHBondContact O-N 3.35Å; I343-N345 VanDerWaalsContact C-N 3.3Å; I343-N345 PolarHBondContact O-N 3.03Å; I343-W346 HydrophobicContact CB-CE3 4.34Å; I343-W346 HydrophobicContact CG1-CE3 4.19Å; I343-W346 HydrophobicContact CG1-CH2 4.33Å; I343-W346 HydrophobicContact CG1-CZ3 3.91Å; I343-W346 HydrophobicContact CG2-CE3 4.42Å; I343-W346 PolarHBondContact O-N 3.39Å; I343-V347 WeakPolarHBondContact O-CG2 3.45Å; I343-V347 PolarHBondContact O-N 3.05Å
344V91.6Very high88.6Confident0 Ų051.6 Ų51.60%025%0.25CC..Hα-helixtrans-59.2-42.4175.2169.90000111.3L225 V237 I240 V242 L340 P341 E342 V347 K348L225-V344 HydrophobicContact CD1-CB 4.26Å; L225-V344 HydrophobicContact CD1-CG2 3.66Å; V237-V344 HydrophobicContact CB-CG1 4.21Å; V237-V344 HydrophobicContact CB-CG2 4.18Å; V237-V344 HydrophobicContact CG1-CB 4.32Å; V237-V344 HydrophobicContact CG1-CG1 4.14Å; V237-V344 HydrophobicContact CG1-CG2 4.13Å; V237-V344 VanDerWaalsContact O-CG1 3.23Å; V237-V344 WeakPolarHBondContact O-CG1 3.46Å; I240-V344 HydrophobicContact CB-CG1 3.77Å; I240-V344 HydrophobicContact CG1-CG1 3.89Å; I240-V344 HydrophobicContact CG2-CG1 4.37Å; V242-V344 HydrophobicContact CG2-CG2 3.7Å; L340-V344 HydrophobicContact CG-CG2 4.42Å; L340-V344 WeakPolarHBondContact O-CG2 3.45Å; L340-V344 PolarHBondContact O-N 3.01Å; P341-V344 PolarHBondContact O-N 3.15Å; E342-V344 VanDerWaalsContact C-N 3.26Å; E342-V344 PolarHBondContact O-N 3.38Å; V344-V347 PolarHBondContact O-N 3.34Å; V344-K348 WeakPolarHBondContact O-CB 3.45Å; V344-K348 PolarHBondContact O-N 3.28Å
345N92.6Very high89.2Confident51 Ų5149.4 Ų49.427%0.27324%0.236SC..Hα-helixtrans-66.3-42.1177.3-74.2-20.9000112S238 P341 E342 I343 V347 K348 N349S238-N345 WeakPolarHBondContact CB-OD1 3.47Å; S238-N345 PolarHBondContact OG-OD1 3.37Å; P341-N345 PolarHBondContact O-N 3.17Å; P341-N345 PolarHBondContact O-ND2 3.04Å; E342-N345 WeakPolarHBondContact O-CB 3.47Å; E342-N345 PolarHBondContact O-N 3.04Å; I343-N345 VanDerWaalsContact C-N 3.3Å; I343-N345 PolarHBondContact O-N 3.03Å; N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.5Å; N345-K348 PolarHBondContact O-N 2.92Å; N345-N349 WeakPolarHBondContact O-CB 3.38Å; N345-N349 PolarHBondContact O-N 3.05Å
346W92.8Very high89.7Confident1 Ų150.2 Ų50.20%0.00424%0.241CC..Hα-helixtrans-57.9-46.3175.6-54-22.4000111.4L315 E318 I319 Y322 P338 E342 I343 S350L315-W346 HydrophobicContact CD1-CB 3.9Å; E318-W346 HydrophobicContact CB-CB 3.82Å; E318-W346 HydrophobicContact CB-CG 3.95Å; E318-W346 HydrophobicContact CG-CB 4.42Å; I319-W346 HydrophobicContact CD1-CE3 4.45Å; I319-W346 HydrophobicContact CG1-CD2 4.21Å; I319-W346 HydrophobicContact CG1-CE3 3.65Å; I319-W346 HydrophobicContact CG1-CZ3 3.87Å; Y322-W346 AromaticContact CD1-CH2 3.91Å; Y322-W346 HydrophobicContact CD1-CH2 3.91Å; Y322-W346 AromaticContact CD1-CZ2 3.49Å; Y322-W346 HydrophobicContact CD1-CZ2 3.49Å; Y322-W346 VanDerWaalsContact CD1-CZ2 3.49Å; Y322-W346 AromaticContact CD2-CZ2 3.71Å; Y322-W346 HydrophobicContact CD2-CZ2 3.71Å; Y322-W346 HydrophobicContact CE1-CH2 4.31Å; Y322-W346 HydrophobicContact CE1-CZ2 4.02Å; Y322-W346 HydrophobicContact CE2-CZ2 4.22Å; Y322-W346 HydrophobicContact CG-CH2 4.18Å; Y322-W346 AromaticContact CG-CZ2 3.31Å; Y322-W346 HydrophobicContact CG-CZ2 3.31Å; P338-W346 HydrophobicContact CB-CH2 3.62Å; P338-W346 HydrophobicContact CB-CZ2 4.17Å; P338-W346 HydrophobicContact CB-CZ3 4.47Å; P338-W346 HydrophobicContact CG-CH2 3.75Å; E342-W346 HydrophobicContact CB-CZ2 4.21Å; E342-W346 VanDerWaalsContact O-CD1 3.29Å; E342-W346 PolarHBondContact O-N 3.09Å; I343-W346 HydrophobicContact CB-CE3 4.34Å; I343-W346 HydrophobicContact CG1-CE3 4.19Å; I343-W346 HydrophobicContact CG1-CH2 4.33Å; I343-W346 HydrophobicContact CG1-CZ3 3.91Å; I343-W346 HydrophobicContact CG2-CE3 4.42Å; I343-W346 PolarHBondContact O-N 3.39Å; W346-S350 VanDerWaalsContact O-CB 3.23Å; W346-S350 WeakPolarHBondContact O-CB 3.45Å; W346-S350 PolarHBondContact O-N 3.3Å; W346-S350 PolarHBondContact O-OG 3.05Å
347V92.6Very high90.2Very high0 Ų050.3 Ų50.30%024%0.238CC..Hα-helixtrans-63.5-45.5178.9169.50000110.8V179 P223 L225 F311 L315 I343 V344 N345 S350 W351V179-V347 HydrophobicContact CG2-CG2 4.21Å; P223-V347 HydrophobicContact CB-CG1 4.03Å; P223-V347 HydrophobicContact CG-CG1 4.33Å; L225-V347 HydrophobicContact CD1-CB 4.27Å; L225-V347 HydrophobicContact CD1-CG1 4.37Å; L225-V347 HydrophobicContact CD1-CG2 4.18Å; L225-V347 HydrophobicContact CD2-CG1 4.28Å; L225-V347 HydrophobicContact CD2-CG2 3.86Å; L225-V347 HydrophobicContact CG-CG1 4.48Å; F311-V347 HydrophobicContact CZ-CG1 4.2Å; F311-V347 HydrophobicContact CZ-CG2 4.45Å; L315-V347 HydrophobicContact CD1-CG2 4.38Å; I343-V347 WeakPolarHBondContact O-CG2 3.45Å; I343-V347 PolarHBondContact O-N 3.05Å; V344-V347 PolarHBondContact O-N 3.34Å; N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.5Å; V347-S350 PolarHBondContact O-N 3.19Å; V347-W351 WeakPolarHBondContact O-CB 3.23Å; V347-W351 PolarHBondContact O-N 3.4Å
348K93.7Very high90.6Very high73 Ų7347.2 Ų47.232%0.31723%0.226SC..Hα-helixtrans-60.3-50.8178-178.9-178.4178.2178.20111.9S238 I240 V344 N345 S350 W351 N352S238-K348 WeakPolarHBondContact O-CD 3.43Å; S238-K348 WeakPolarHBondContact O-CE 3.27Å; S238-K348 PolarHBondContact O-NZ 3.05Å; I240-K348 HydrophobicContact CD1-CB 4.06Å; I240-K348 HydrophobicContact CD1-CG 4.32Å; I240-K348 HydrophobicContact CG1-CB 3.93Å; I240-K348 HydrophobicContact CG1-CG 4.4Å; V344-K348 WeakPolarHBondContact O-CB 3.45Å; V344-K348 PolarHBondContact O-N 3.28Å; N345-K348 PolarHBondContact O-N 2.92Å; K348-S350 VanDerWaalsContact C-N 3.33Å; K348-S350 PolarHBondContact O-N 2.92Å; K348-W351 PolarHBondContact O-N 3.15Å; K348-N352 WeakPolarHBondContact O-CB 2.86Å; K348-N352 PolarHBondContact O-N 3.3Å; K348-N352 PolarHBondContact O-ND2 3.1Å
349N93.8Very high90.9Very high62 Ų6249.9 Ų49.933%0.33224%0.238SC..Hα-helixtrans-62.4-43.3-178.8-69.3-10.5000111.1E318 N345 N352 K353E318-N349 HydrophobicContact CG-CB 4.28Å; E318-N349 PolarHBondContact OE2-ND2 3.1Å; N345-N349 WeakPolarHBondContact O-CB 3.38Å; N345-N349 PolarHBondContact O-N 3.05Å; N349-N352 PolarHBondContact O-N 3.06Å; N349-K353 WeakPolarHBondContact O-CG 3.48Å; N349-K353 PolarHBondContact O-N 3.42Å
350S92.7Very high91.1Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-65-43177.7-56.70000111.8L315 W346 V347 K348 N352 K353L315-S350 WeakPolarHBondContact CA-OG 3.44Å; L315-S350 PolarHBondContact N-OG 3.08Å; W346-S350 VanDerWaalsContact O-CB 3.23Å; W346-S350 WeakPolarHBondContact O-CB 3.45Å; W346-S350 PolarHBondContact O-N 3.3Å; W346-S350 PolarHBondContact O-OG 3.05Å; V347-S350 PolarHBondContact O-N 3.19Å; K348-S350 VanDerWaalsContact C-N 3.33Å; K348-S350 PolarHBondContact O-N 2.92Å; S350-N352 VanDerWaalsContact C-N 3.35Å; S350-N352 PolarHBondContact O-N 3.3Å; S350-K353 PolarHBondContact O-N 3.12Å
351W92.4Very high91.5Very high8 Ų841.1 Ų41.13%0.0321%0.208CC..Hα-helixtrans-69.5-31.7179.9-172-120.1000113.3L212 K220 A221 P223 L307 F311 V347 K348 K353 I354L212-W351 HydrophobicContact CB-CH2 4.08Å; L212-W351 HydrophobicContact CB-CZ3 4.05Å; L212-W351 HydrophobicContact CD1-CE3 4.19Å; L212-W351 HydrophobicContact CD1-CZ3 3.91Å; L212-W351 HydrophobicContact CD2-CD2 4.11Å; L212-W351 HydrophobicContact CD2-CE3 3.77Å; L212-W351 HydrophobicContact CD2-CH2 4.44Å; L212-W351 HydrophobicContact CD2-CZ3 3.97Å; L212-W351 HydrophobicContact CG-CE3 4.44Å; L212-W351 HydrophobicContact CG-CZ3 4.2Å; K220-W351 HydrophobicContact CB-CZ2 3.64Å; K220-W351 HydrophobicContact CD-CD2 4.38Å; K220-W351 HydrophobicContact CD-CH2 4.4Å; K220-W351 HydrophobicContact CD-CZ2 3.9Å; K220-W351 HydrophobicContact CG-CH2 4.37Å; K220-W351 HydrophobicContact CG-CZ2 3.75Å; K220-W351 PolarHBondContact NZ-O 3.1Å; A221-W351 PolarHBondContact O-NE1 2.8Å; P223-W351 HydrophobicContact CG-CB 3.97Å; P223-W351 HydrophobicContact CG-CD2 4.02Å; P223-W351 HydrophobicContact CG-CG 3.5Å; P223-W351 VanDerWaalsContact CG-CG 3.5Å; L307-W351 HydrophobicContact CD1-CH2 3.95Å; L307-W351 HydrophobicContact CD1-CZ3 3.85Å; L307-W351 HydrophobicContact CD2-CH2 4.2Å; L307-W351 HydrophobicContact CD2-CZ3 4.39Å; L307-W351 HydrophobicContact CG-CH2 4.47Å; L307-W351 HydrophobicContact CG-CZ3 4.29Å; F311-W351 AromaticContact CD2-CE3 3.95Å; F311-W351 HydrophobicContact CD2-CE3 3.95Å; F311-W351 HydrophobicContact CE2-CB 4.16Å; F311-W351 HydrophobicContact CE2-CE3 4.38Å; V347-W351 WeakPolarHBondContact O-CB 3.23Å; V347-W351 PolarHBondContact O-N 3.4Å; K348-W351 PolarHBondContact O-N 3.15Å; W351-K353 PolarHBondContact O-N 3.16Å; W351-I354 HydrophobicContact CE3-CB 4.21Å; W351-I354 HydrophobicContact CE3-CG1 3.98Å; W351-I354 HydrophobicContact CZ3-CB 4.36Å; W351-I354 HydrophobicContact CZ3-CG1 4.29Å; W351-I354 HydrophobicContact CZ3-CG2 4.19Å; W351-I354 PolarHBondContact O-N 3.02Å
352N91.4Very high91.7Very high101 Ų10139.5 Ų39.554%0.5419%0.193SC..Hα-helixtrans-66.8-25.8175.2-74.5-15.6000112.9K348 N349 S350K348-N352 WeakPolarHBondContact O-CB 2.86Å; K348-N352 PolarHBondContact O-N 3.3Å; K348-N352 PolarHBondContact O-ND2 3.1Å; N349-N352 PolarHBondContact O-N 3.06Å; S350-N352 VanDerWaalsContact C-N 3.35Å; S350-N352 PolarHBondContact O-N 3.3Å
353K90.8Very high91.8Very high97 Ų9738.3 Ų38.342%0.42219%0.188SC..THydrogen-bonded Turntrans-83.6-12.8179.4-67.5168.7179.8168.10114Y314 E318 N349 S350 W351Y314-K353 HydrophobicContact CD1-CB 4.15Å; Y314-K353 HydrophobicContact CD1-CD 3.63Å; Y314-K353 HydrophobicContact CD1-CG 4.49Å; Y314-K353 HydrophobicContact CD2-CB 3.59Å; Y314-K353 HydrophobicContact CD2-CD 4.44Å; Y314-K353 HydrophobicContact CE1-CB 4.17Å; Y314-K353 HydrophobicContact CE1-CD 4.09Å; Y314-K353 HydrophobicContact CE2-CB 3.62Å; Y314-K353 HydrophobicContact CG-CB 3.88Å; Y314-K353 HydrophobicContact CG-CD 3.84Å; E318-K353 IonicContact OE1-NZ 2.89Å; E318-K353 PolarHBondContact OE1-NZ 2.89Å; N349-K353 WeakPolarHBondContact O-CG 3.48Å; N349-K353 PolarHBondContact O-N 3.42Å; S350-K353 PolarHBondContact O-N 3.12Å; W351-K353 PolarHBondContact O-N 3.16Å
354I86.9Confident91.9Very high65 Ų6541.6 Ų41.633%0.33321%0.205SC..  trans-77.90172.1-57-61.5000110K220 L307 P310 F311 Y314 W351K220-I354 HydrophobicContact CD-CB 4.4Å; K220-I354 HydrophobicContact CD-CG2 4.43Å; K220-I354 WeakPolarHBondContact CD-OXT 3.36Å; K220-I354 WeakPolarHBondContact CE-OXT 3.46Å; K220-I354 PolarHBondContact NZ-OXT 3.27Å; L307-I354 HydrophobicContact CD1-CG2 3.94Å; P310-I354 HydrophobicContact CB-CD1 3.62Å; P310-I354 HydrophobicContact CG-CD1 3.86Å; F311-I354 HydrophobicContact CB-CD1 3.97Å; F311-I354 HydrophobicContact CB-CG1 4.19Å; F311-I354 HydrophobicContact CD2-CG1 4.4Å; F311-I354 VanDerWaalsContact N-CD1 3.3Å; Y314-I354 HydrophobicContact CD2-CD1 3.87Å; Y314-I354 HydrophobicContact CE2-CD1 4.03Å; W351-I354 HydrophobicContact CE3-CB 4.21Å; W351-I354 HydrophobicContact CE3-CG1 3.98Å; W351-I354 HydrophobicContact CZ3-CB 4.36Å; W351-I354 HydrophobicContact CZ3-CG1 4.29Å; W351-I354 HydrophobicContact CZ3-CG2 4.19Å; W351-I354 PolarHBondContact O-N 3.02Å

Retrieved 354 of 354 residues in 194.5 ms (Link to these results)

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