A0A060YJ58_ONCMY Loading...

Large ribosomal subunit protein eL22

AlphaFold DB , UniProt , Accession A0A060YJ58, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530778, Length 129 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
1M51.8Low48.9Very low251 Ų251172 Ų172100%1.23689%0.885SS**  0106.60-136.7156.4163.500107.1
2A48.5Very low49.4Very low91 Ų91168.2 Ų168.275%0.75288%0.875SS**PPolyproline II helixtrans-82.2143.1-170.400000111.7
3P53.9Low48.9Very low126 Ų126170 Ų17082%0.81887%0.872SS**PPolyproline II helixtrans-76.8129176.529.5-30.7000111K5P3-K5 PolarHBondContact O-N 3.29Å
4L52.3Low49Very low173 Ų173173.1 Ų173.191%0.90687%0.867SS**PPolyproline II helixtrans-66.9121.5176.7-82.1136.8000111.1Q6L4-Q6 PolarHBondContact O-N 3.42Å
5K50.5Low49.3Very low208 Ų208169.7 Ų169.790%0.90486%0.859SS**  trans-75.1107179.6-148.6176-170.2178.70109.8P3 K7P3-K5 PolarHBondContact O-N 3.29Å; K5-K7 PolarHBondContact O-N 3.33Å
6Q51.3Low49.5Very low187 Ų187172.1 Ų172.187%0.87486%0.862SS**  trans-66.9119.9175.7-73.6176.7-12.900110.9L4 K8L4-Q6 PolarHBondContact O-N 3.42Å; Q6-K8 PolarHBondContact O-N 3.26Å
7K49.5Very low50Low205 Ų205174.3 Ų174.389%0.89186%0.858SS**  trans-66.2113.2171.2-95.7177.1172.3175.80109.3K5 Q9K5-K7 PolarHBondContact O-N 3.33Å; K7-Q9 PolarHBondContact O-N 3.21Å
8K42.4Very low50.9Low201 Ų201167.8 Ų167.887%0.87484%0.843SS**  trans-61.9115.8167.8-75.8-179.2175.1-179.90109Q6 T10Q6-K8 PolarHBondContact O-N 3.26Å; K8-T10 PolarHBondContact O-N 3.15Å
9Q43.8Very low52.4Low187 Ų187164.6 Ų164.687%0.87483%0.833SS**  trans-63.3116.3167.7-74.8178.9-5.400108.4K7 V11K7-Q9 PolarHBondContact O-N 3.21Å; Q9-V11 PolarHBondContact O-N 3.23Å; Q9-V11 VanDerWaalsContact O-N 3.15Å
10T45.8Very low54.2Low129 Ų129159.3 Ų159.379%0.79181%0.812SS**  trans-69.7106.7170.739.80000108.1K8 V12K8-T10 PolarHBondContact O-N 3.15Å; T10-V12 PolarHBondContact O-N 2.97Å
11V48.3Very low56.1Low134 Ų134154.6 Ų154.681%0.81278%0.784SS**  trans-64.699.8170.9-178.10000107.3Q9 K13Q9-V11 PolarHBondContact O-N 3.23Å; Q9-V11 VanDerWaalsContact O-N 3.15Å; V11-K13 PolarHBondContact O-N 2.92Å
12V54.8Low58.2Low126 Ų126148 Ų14876%0.76475%0.748SS**  trans-61.4106.9171-176.60000106.5T10 R14T10-V12 PolarHBondContact O-N 2.97Å; V12-R14 PolarHBondContact O-N 2.94Å
13K43.2Very low60.6Low192 Ų192144.8 Ų144.884%0.83572%0.717SS**  trans-53.3102173-97179.4172.6175.90108.3V11 T15V11-K13 PolarHBondContact O-N 2.92Å; K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 2.85Å
14R50.6Low62.7Low213 Ų213140.5 Ų140.580%0.80469%0.689SS**  trans-65.195.8161.8-89.8179.8165.5174.5-0.7106.7V12 K16V12-R14 PolarHBondContact O-N 2.94Å; R14-K16 PolarHBondContact O-N 3.03Å
15T52.9Low64.9Low123 Ų123132.2 Ų132.276%0.75565%0.646SS**  trans-52.3132.2163.638.50000107.9K13 R17K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 2.85Å; T15-R17 PolarHBondContact O-N 3.39Å
16K52Low67.1Low207 Ų207124 Ų12490%0.961%0.611SS**  trans-44.9118.1177.8-75.9177.2174.2178.10108.1R14 G18R14-K16 PolarHBondContact O-N 3.03Å; K16-G18 PolarHBondContact O-N 3.11Å
17R58.6Low69.2Low210 Ų210115 Ų11579%0.79257%0.57SS**  trans-61.4103.9177-68.2-174-137172.86.6106.6T15T15-R17 PolarHBondContact O-N 3.39Å
18G66.1Low71.4Confident58 Ų58106.8 Ų106.860%0.59854%0.537SS*.PPolyproline II helixtrans-57158.5171.900000110.1K16 S20K16-G18 PolarHBondContact O-N 3.11Å; G18-S20 PolarHBondContact O-N 2.86Å; G18-S20 VanDerWaalsContact O-N 3.11Å
19V79.3Confident73.8Confident106 Ų106102 Ų10264%0.64252%0.517SS*.PPolyproline II helixtrans-53120.6174.3178.20000108.4W21V19-W21 HydrophobicContact CB-CH2 4.39Å; V19-W21 HydrophobicContact CG1-CH2 4.48Å; V19-W21 HydrophobicContact CG1-CZ2 4.2Å; V19-W21 WeakPolarHBondContact O-CZ3 3.41Å
20S88.6Confident76.3Confident59 Ų5993.1 Ų93.141%0.41348%0.476SS..PPolyproline II helixtrans-99.7125.6174.364.40000108.9G18 S75G18-S20 PolarHBondContact O-N 2.86Å; G18-S20 VanDerWaalsContact O-N 3.11Å; S20-S75 CarbonylContact C-O 3.55Å; S20-S75 WeakPolarHBondContact CA-O 3.41Å
21W94.4Very high78.6Confident60 Ų6088.3 Ų88.323%0.22745%0.446CS..EExtended strand (participates in β ladder)trans-87.6125.9173-64.5-93.5000109.1V19 F23 T74 S75 Q76 K77 Q78 F79V19-W21 HydrophobicContact CB-CH2 4.39Å; V19-W21 HydrophobicContact CG1-CH2 4.48Å; V19-W21 HydrophobicContact CG1-CZ2 4.2Å; V19-W21 WeakPolarHBondContact O-CZ3 3.41Å; W21-F23 HydrophobicContact CB-CE2 3.89Å; W21-F23 HydrophobicContact CB-CZ 4.35Å; W21-T74 CarbonylContact O-C 3.54Å; W21-T74 WeakPolarHBondContact O-CA 3.36Å; W21-S75 PolarHBondContact N-O 2.95Å; W21-S75 PolarHBondContact O-N 3.39Å; W21-Q76 WeakPolarHBondContact CZ3-O 3.16Å; W21-K77 VanDerWaalsContact CZ3-CA 3.49Å; W21-K77 VanDerWaalsContact CZ3-O 3.29Å; W21-K77 WeakPolarHBondContact CZ3-O 3.39Å; W21-Q78 HydrophobicContact CH2-CB 4.37Å; W21-Q78 HydrophobicContact CZ2-CB 4.27Å; W21-Q78 VanDerWaalsContact CZ3-N 3.29Å; W21-F79 HydrophobicContact CB-CB 4.39Å
22K96.1Very high80.8Confident113 Ų11388.1 Ų88.149%0.49144%0.436SS..EExtended strand (participates in β ladder)trans-123.5129.3179.5-64.1-178.8-178.4-177.90108.8V73 T74K22-V73 WeakPolarHBondContact CA-O 3.09Å; K22-T74 HydrophobicContact CG-CG2 4.11Å
23F97.9Very high82.6Confident23 Ų2386.7 Ų86.710%0.10143%0.425CS..EExtended strand (participates in β ladder)trans-136144.2174.6-57.9-65.8000109.6W21 V73 F79 K81 L84 E109W21-F23 HydrophobicContact CB-CE2 3.89Å; W21-F23 HydrophobicContact CB-CZ 4.35Å; F23-V73 PolarHBondContact N-O 3.31Å; F23-V73 PolarHBondContact O-N 3.06Å; F23-F79 AromaticContact CD2-CD1 3.61Å; F23-F79 HydrophobicContact CD2-CD1 3.61Å; F23-F79 HydrophobicContact CD2-CE1 4.05Å; F23-F79 AromaticContact CE2-CD1 3.75Å; F23-F79 HydrophobicContact CE2-CD1 3.75Å; F23-F79 VanDerWaalsContact CE2-O 3.29Å; F23-F79 WeakPolarHBondContact CE2-O 3.43Å; F23-K81 HydrophobicContact CD1-CB 3.75Å; F23-K81 HydrophobicContact CD1-CD 4.09Å; F23-K81 HydrophobicContact CD1-CG 3.99Å; F23-K81 HydrophobicContact CE1-CB 3.58Å; F23-K81 HydrophobicContact CE1-CD 4.33Å; F23-K81 HydrophobicContact CE1-CG 4.26Å; F23-K81 HydrophobicContact CE2-CB 4.48Å; F23-K81 HydrophobicContact CG-CB 4.3Å; F23-K81 HydrophobicContact CZ-CB 3.96Å; F23-L84 HydrophobicContact CB-CD2 3.99Å; F23-E109 WeakPolarHBondContact CA-O 3.44Å; F23-E109 HydrophobicContact CD1-CB 4.32Å
24T97.9Very high85Confident36 Ų3680.7 Ų80.722%0.22142%0.417CS..EExtended strand (participates in β ladder)trans-119.1142.8178.4-61.90000109.4K70 I71 N72 E109 T110 Y111T24-K70 HydrophobicContact CG2-CB 4.35Å; T24-K70 HydrophobicContact CG2-CD 4.35Å; T24-I71 CarbonylContact C-O 3.57Å; T24-I71 WeakPolarHBondContact CA-O 3.03Å; T24-N72 VanDerWaalsContact CG2-OD1 3.28Å; T24-N72 WeakPolarHBondContact CG2-OD1 3.33Å; T24-N72 PolarHBondContact OG1-OD1 3.34Å; T24-E109 PolarHBondContact N-O 3.04Å; T24-E109 VanDerWaalsContact N-O 3.15Å; T24-T110 HydrophobicContact CG2-CG2 4.38Å; T24-T110 CarbonylContact O-C 3.59Å; T24-T110 WeakPolarHBondContact O-CA 3.39Å; T24-Y111 PolarHBondContact O-N 2.86Å
25L98Very high87Confident0 Ų073.9 Ų73.90%040%0.396CS..EExtended strand (participates in β ladder)trans-124.3116.8173.4-160.7146.6000109.3L27 F41 K70 I71 L84 T88 Y111L25-L27 HydrophobicContact CD2-CD1 4.3Å; L25-L27 HydrophobicContact CD2-CD2 3.1Å; L25-L27 HydrophobicContact CD2-CG 3.53Å; L25-F41 HydrophobicContact CD1-CE1 4.5Å; L25-F41 HydrophobicContact CD1-CZ 4.49Å; L25-F41 HydrophobicContact CD2-CE1 4.15Å; L25-K70 WeakPolarHBondContact O-CA 3.43Å; L25-I71 HydrophobicContact CB-CB 4.5Å; L25-I71 PolarHBondContact N-O 2.92Å; L25-I71 PolarHBondContact O-N 3.23Å; L25-L84 HydrophobicContact CB-CD2 4.36Å; L25-L84 HydrophobicContact CD1-CD2 4.26Å; L25-L84 HydrophobicContact CD1-CG 4.07Å; L25-T88 HydrophobicContact CD1-CG2 3.89Å; L25-T88 WeakPolarHBondContact CD1-OG1 3.27Å; L25-T88 HydrophobicContact CD2-CG2 4.47Å; L25-Y111 CarbonylContact C-O 3.57Å; L25-Y111 WeakPolarHBondContact CA-O 3.28Å
26D97.5Very high89Confident34 Ų3468.3 Ų68.318%0.18236%0.361CS..EExtended strand (participates in β ladder)trans-87.5119.7178.6-158-28000110.3T28 K70 Y111 E112 L113D26-T28 VanDerWaalsContact OD1-CB 3.25Å; D26-T28 WeakPolarHBondContact OD1-CB 3.35Å; D26-T28 PolarHBondContact OD1-N 2.59Å; D26-T28 PolarHBondContact OD1-OG1 2.73Å; D26-K70 WeakPolarHBondContact OD2-CE 3.29Å; D26-K70 IonicContact OD2-NZ 2.64Å; D26-K70 PolarHBondContact OD2-NZ 2.81Å; D26-Y111 PolarHBondContact N-O 3.35Å; D26-E112 HydrophobicContact CB-CB 4.07Å; D26-E112 WeakPolarHBondContact O-CA 3.36Å; D26-L113 PolarHBondContact O-N 2.82Å; D26-L113 VanDerWaalsContact O-N 3.1Å
27L96.3Very high91Very high0 Ų062.4 Ų62.40%034%0.339CS..  trans-114.713.2-179.9-56.1167.6000111.5L25 H29 P30 V31 L36 F41 N69 I71 L113L25-L27 HydrophobicContact CD2-CD1 4.3Å; L25-L27 HydrophobicContact CD2-CD2 3.1Å; L25-L27 HydrophobicContact CD2-CG 3.53Å; L27-H29 PolarHBondContact O-N 3.12Å; L27-P30 WeakPolarHBondContact O-CD 3.29Å; L27-P30 WeakPolarHBondContact O-CG 3.42Å; L27-V31 HydrophobicContact CB-CG2 3.67Å; L27-V31 VanDerWaalsContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CB 3.04Å; L27-V31 WeakPolarHBondContact O-CG2 3.28Å; L27-V31 PolarHBondContact O-N 2.81Å; L27-L36 HydrophobicContact CB-CD2 4.39Å; L27-L36 HydrophobicContact CD1-CD2 3.95Å; L27-L36 HydrophobicContact CD2-CD1 4.29Å; L27-L36 HydrophobicContact CD2-CD2 4.16Å; L27-L36 HydrophobicContact CG-CD2 4.42Å; L27-F41 HydrophobicContact CD1-CD1 3.62Å; L27-F41 HydrophobicContact CD1-CE1 4.19Å; L27-F41 HydrophobicContact CD1-CG 4.43Å; L27-F41 HydrophobicContact CD2-CD1 4.44Å; L27-F41 HydrophobicContact CD2-CE1 4.45Å; L27-N69 WeakPolarHBondContact CA-O 3.43Å; L27-N69 VanDerWaalsContact CB-O 3.26Å; L27-N69 WeakPolarHBondContact CB-O 3.43Å; L27-N69 PolarHBondContact N-O 3.02Å; L27-I71 HydrophobicContact CD1-CG1 3.76Å; L27-L113 HydrophobicContact CD2-CD1 3.28Å; L27-L113 HydrophobicContact CD2-CG 3.82Å
28T95.6Very high92.7Very high32 Ų3252.9 Ų52.920%0.19631%0.305CS..Hα-helixtrans-50.1-57.4-170.8-59.20000113.1D26 V31 E32D26-T28 VanDerWaalsContact OD1-CB 3.25Å; D26-T28 WeakPolarHBondContact OD1-CB 3.35Å; D26-T28 PolarHBondContact OD1-N 2.59Å; D26-T28 PolarHBondContact OD1-OG1 2.73Å; T28-V31 PolarHBondContact O-N 3.49Å; T28-E32 VanDerWaalsContact CG2-CD 3.49Å; T28-E32 HydrophobicContact CG2-CG 4.37Å; T28-E32 WeakPolarHBondContact CG2-OE1 3.4Å; T28-E32 WeakPolarHBondContact O-CB 3.34Å; T28-E32 WeakPolarHBondContact O-CG 3.34Å; T28-E32 PolarHBondContact O-N 3.32Å
29H93Very high94.1Very high100 Ų10051.5 Ų51.546%0.46329%0.288SS..Hα-helixtrans-56.4-58.2-177.9-57-59.9000114.1L27 V31 E32 D33 Y115L27-H29 PolarHBondContact O-N 3.12Å; H29-V31 VanDerWaalsContact C-N 3.28Å; H29-V31 PolarHBondContact O-N 3.15Å; H29-E32 PolarHBondContact O-N 3.29Å; H29-D33 VanDerWaalsContact O-CG 3.3Å; H29-D33 PolarHBondContact O-N 2.82Å; H29-D33 VanDerWaalsContact O-N 3.08Å; H29-Y115 HydrophobicContact CB-CE2 4.05Å
30P95.3Very high94.9Very high0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-71.1-20.6-177.128.8-37.6000114.5L27 G34 I35 L36 L101 L113L27-P30 WeakPolarHBondContact O-CD 3.29Å; L27-P30 WeakPolarHBondContact O-CG 3.42Å; P30-G34 PolarHBondContact O-N 2.83Å; P30-I35 PolarHBondContact O-N 2.84Å; P30-L36 HydrophobicContact CB-CB 3.91Å; P30-L36 HydrophobicContact CG-CB 4.4Å; P30-L36 PolarHBondContact O-N 2.88Å; P30-L101 HydrophobicContact CB-CD1 3.66Å; P30-L101 HydrophobicContact CB-CD2 4.13Å; P30-L101 HydrophobicContact CG-CD1 4.17Å; P30-L101 HydrophobicContact CG-CD2 4.46Å; P30-L113 HydrophobicContact CG-CB 4.01Å; P30-L113 HydrophobicContact CG-CD1 3.85Å
31V95Very high95.3Very high29 Ų2947 Ų4718%0.17626%0.256CS..Hα-helixtrans-77.2-41.4174.3172.70000110.8L27 T28 H29 D33 G34 L36 N69L27-V31 HydrophobicContact CB-CG2 3.67Å; L27-V31 VanDerWaalsContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CB 3.04Å; L27-V31 WeakPolarHBondContact O-CG2 3.28Å; L27-V31 PolarHBondContact O-N 2.81Å; T28-V31 PolarHBondContact O-N 3.49Å; H29-V31 VanDerWaalsContact C-N 3.28Å; H29-V31 PolarHBondContact O-N 3.15Å; V31-D33 VanDerWaalsContact C-N 3.34Å; V31-G34 PolarHBondContact O-N 2.78Å; V31-L36 WeakPolarHBondContact CA-O 3.27Å; V31-L36 HydrophobicContact CG2-CD2 3.82Å; V31-L36 WeakPolarHBondContact CG2-O 3.27Å; V31-N69 WeakPolarHBondContact CG1-OD1 3.47Å
32E94.3Very high95.4Very high129 Ų12945.5 Ų45.560%0.60325%0.252SS*.Hα-helixtrans-66-37.5177-73.4175.4178.300111.9T28 H29 G34 N69T28-E32 VanDerWaalsContact CG2-CD 3.49Å; T28-E32 HydrophobicContact CG2-CG 4.37Å; T28-E32 WeakPolarHBondContact CG2-OE1 3.4Å; T28-E32 WeakPolarHBondContact O-CB 3.34Å; T28-E32 WeakPolarHBondContact O-CG 3.34Å; T28-E32 PolarHBondContact O-N 3.32Å; H29-E32 PolarHBondContact O-N 3.29Å; E32-G34 PolarHBondContact O-N 2.91Å; E32-N69 PolarHBondContact OE1-ND2 3.16Å
33D93.1Very high95.4Very high97 Ų9743.3 Ų43.352%0.51925%0.248SC..THydrogen-bonded Turntrans-77.2-1.7176-60.7-27.1000113.4H29 V31 I35 Y115H29-D33 VanDerWaalsContact O-CG 3.3Å; H29-D33 PolarHBondContact O-N 2.82Å; H29-D33 VanDerWaalsContact O-N 3.08Å; V31-D33 VanDerWaalsContact C-N 3.34Å; D33-I35 VanDerWaalsContact C-N 3.25Å; D33-I35 HydrophobicContact CB-CD1 4.04Å; D33-I35 HydrophobicContact CB-CG1 4.37Å; D33-I35 PolarHBondContact O-N 2.92Å; D33-Y115 WeakPolarHBondContact OD2-CE2 3.34Å; D33-Y115 VanDerWaalsContact OD2-CZ 3.3Å; D33-Y115 PolarHBondContact OD2-OH 3.16Å
34G92.4Very high95.4Very high65 Ų6542.5 Ų42.567%0.6724%0.244SC*.THydrogen-bonded Turntrans73.87.4177.400000115.6P30 V31 E32P30-G34 PolarHBondContact O-N 2.83Å; V31-G34 PolarHBondContact O-N 2.78Å; E32-G34 PolarHBondContact O-N 2.91Å
35I93.1Very high95.3Very high70 Ų7040.8 Ų40.836%0.35923%0.234SC..SBendtrans-80.8-26.6-177.1-65.9164.2000111.8P30 D33 L97 Y115P30-I35 PolarHBondContact O-N 2.84Å; D33-I35 VanDerWaalsContact C-N 3.25Å; D33-I35 HydrophobicContact CB-CD1 4.04Å; D33-I35 HydrophobicContact CB-CG1 4.37Å; D33-I35 PolarHBondContact O-N 2.92Å; I35-L97 HydrophobicContact CG2-CD1 4.45Å; I35-L97 HydrophobicContact CG2-CD2 3.44Å; I35-L97 VanDerWaalsContact CG2-CD2 3.44Å; I35-Y115 HydrophobicContact CD1-CE1 4.42Å; I35-Y115 WeakPolarHBondContact CD1-OH 3.37Å
36L94Very high95.2Very high7 Ų745.1 Ų45.14%0.03725%0.253CS..SBendtrans-128.9129.4-179.2-173.6148.2000111.5L27 P30 V31 F41 Y91 L92 L97 L113L27-L36 HydrophobicContact CB-CD2 4.39Å; L27-L36 HydrophobicContact CD1-CD2 3.95Å; L27-L36 HydrophobicContact CD2-CD1 4.29Å; L27-L36 HydrophobicContact CD2-CD2 4.16Å; L27-L36 HydrophobicContact CG-CD2 4.42Å; P30-L36 HydrophobicContact CB-CB 3.91Å; P30-L36 HydrophobicContact CG-CB 4.4Å; P30-L36 PolarHBondContact O-N 2.88Å; V31-L36 WeakPolarHBondContact CA-O 3.27Å; V31-L36 HydrophobicContact CG2-CD2 3.82Å; V31-L36 WeakPolarHBondContact CG2-O 3.27Å; L36-F41 HydrophobicContact CD2-CB 4.32Å; L36-Y91 HydrophobicContact CD1-CD1 4.37Å; L36-Y91 HydrophobicContact CD1-CE1 3.91Å; L36-Y91 HydrophobicContact CG-CE1 4.16Å; L36-L92 HydrophobicContact CD1-CD2 4.28Å; L36-L97 HydrophobicContact CD1-CD1 4.29Å; L36-L113 HydrophobicContact CD1-CD1 3.87Å
37D94.6Very high95.1Very high82 Ų8249.6 Ų49.644%0.43927%0.272SS..  trans-91.1117.1170.5174.223.5000111.3A39 N40 F41D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 2.64Å; D37-A39 WeakPolarHBondContact OD1-CB 3.41Å; D37-A39 PolarHBondContact OD1-N 2.72Å; D37-N40 HydrophobicContact CB-CB 4.03Å; D37-N40 PolarHBondContact O-N 3.19Å; D37-N40 VanDerWaalsContact OD2-CB 3.27Å; D37-N40 WeakPolarHBondContact OD2-CB 3.39Å; D37-N40 PolarHBondContact OD2-N 3.31Å; D37-N40 VanDerWaalsContact OD2-N 3.09Å; D37-F41 PolarHBondContact O-N 3.16Å
38S95.1Very high95.1Very high10 Ų1054 Ų547%0.0729%0.289CS..Hα-helixtrans-62-31.917761.10000113.2E42 R66 K68S38-E42 WeakPolarHBondContact O-CB 3.32Å; S38-E42 PolarHBondContact O-N 3.49Å; S38-R66 WeakPolarHBondContact OG-CD 3.47Å; S38-R66 PolarHBondContact OG-NH1 2.95Å; S38-K68 PolarHBondContact OG-O 3.13Å
39A95.6Very high95.1Very high30 Ų3052.6 Ų52.625%0.24828%0.28CS..Hα-helixtrans-68.6-50.117900000110.8D37 F41 E42 T43 R66D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 2.64Å; D37-A39 WeakPolarHBondContact OD1-CB 3.41Å; D37-A39 PolarHBondContact OD1-N 2.72Å; A39-F41 VanDerWaalsContact C-N 3.29Å; A39-F41 PolarHBondContact O-N 3.31Å; A39-E42 WeakPolarHBondContact O-CB 3.43Å; A39-E42 PolarHBondContact O-N 2.88Å; A39-T43 PolarHBondContact O-N 2.93Å; A39-T43 PolarHBondContact O-OG1 2.6Å; A39-R66 VanDerWaalsContact CB-NH1 3.29Å
40N95.8Very high95.2Very high71 Ų7153.2 Ų53.238%0.3828%0.281SS..Hα-helixtrans-60.3-38.4174.9-176.7-7.5000111.9D37 T43 F44D37-N40 HydrophobicContact CB-CB 4.03Å; D37-N40 PolarHBondContact O-N 3.19Å; D37-N40 VanDerWaalsContact OD2-CB 3.27Å; D37-N40 WeakPolarHBondContact OD2-CB 3.39Å; D37-N40 PolarHBondContact OD2-N 3.31Å; D37-N40 VanDerWaalsContact OD2-N 3.09Å; N40-T43 WeakPolarHBondContact CA-OG1 3.34Å; N40-T43 PolarHBondContact O-N 3.27Å; N40-T43 PolarHBondContact O-OG1 3.11Å; N40-F44 WeakPolarHBondContact O-CB 3.36Å; N40-F44 PolarHBondContact O-N 2.97Å
41F96.9Very high94.9Very high0 Ų053.7 Ų53.70%028%0.284CS..Hα-helixtrans-66.9-38.5175.1-174.8-115.3000112.7L25 L27 L36 D37 A39 F44 L45 I71 T88 Y91L25-F41 HydrophobicContact CD1-CE1 4.5Å; L25-F41 HydrophobicContact CD1-CZ 4.49Å; L25-F41 HydrophobicContact CD2-CE1 4.15Å; L27-F41 HydrophobicContact CD1-CD1 3.62Å; L27-F41 HydrophobicContact CD1-CE1 4.19Å; L27-F41 HydrophobicContact CD1-CG 4.43Å; L27-F41 HydrophobicContact CD2-CD1 4.44Å; L27-F41 HydrophobicContact CD2-CE1 4.45Å; L36-F41 HydrophobicContact CD2-CB 4.32Å; D37-F41 PolarHBondContact O-N 3.16Å; A39-F41 VanDerWaalsContact C-N 3.29Å; A39-F41 PolarHBondContact O-N 3.31Å; F41-F44 HydrophobicContact CD2-CD1 4.37Å; F41-F44 HydrophobicContact CE2-CD1 4.28Å; F41-F44 PolarHBondContact O-N 2.57Å; F41-L45 HydrophobicContact CD1-CD1 4.11Å; F41-L45 HydrophobicContact CE1-CD1 3.58Å; F41-L45 HydrophobicContact CE1-CG 4.17Å; F41-L45 HydrophobicContact CE2-CD2 4.3Å; F41-L45 HydrophobicContact CE2-CG 4.24Å; F41-L45 HydrophobicContact CZ-CD1 3.81Å; F41-L45 HydrophobicContact CZ-CD2 4.03Å; F41-L45 HydrophobicContact CZ-CG 3.98Å; F41-L45 WeakPolarHBondContact O-CG 3.28Å; F41-L45 PolarHBondContact O-N 3.18Å; F41-I71 HydrophobicContact CD1-CG1 3.97Å; F41-I71 HydrophobicContact CE1-CG1 4.31Å; F41-T88 HydrophobicContact CE2-CG2 4.26Å; F41-T88 HydrophobicContact CZ-CG2 3.89Å; F41-Y91 HydrophobicContact CB-CE1 4.29Å; F41-Y91 HydrophobicContact CB-CE2 4.45Å; F41-Y91 AromaticContact CD2-CD1 3.53Å; F41-Y91 HydrophobicContact CD2-CD1 3.53Å; F41-Y91 AromaticContact CD2-CD2 3.79Å; F41-Y91 HydrophobicContact CD2-CD2 3.79Å; F41-Y91 AromaticContact CD2-CE1 3.88Å; F41-Y91 HydrophobicContact CD2-CE1 3.88Å; F41-Y91 HydrophobicContact CD2-CE2 4.1Å; F41-Y91 AromaticContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CD2-CG 3.47Å; F41-Y91 VanDerWaalsContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CE2-CD1 4.04Å; F41-Y91 HydrophobicContact CE2-CD2 4.43Å; F41-Y91 AromaticContact CE2-CG 3.84Å; F41-Y91 HydrophobicContact CE2-CG 3.84Å; F41-Y91 HydrophobicContact CG-CD1 4.48Å; F41-Y91 HydrophobicContact CG-CE1 4.46Å
42E96.1Very high94.6Very high28 Ų2858.9 Ų58.913%0.13131%0.311CS..Hα-helixtrans-59.9-47.6174-170.6-168.3163.900111.8S38 A39 L45 K46 I64 R66 I71S38-E42 WeakPolarHBondContact O-CB 3.32Å; S38-E42 PolarHBondContact O-N 3.49Å; A39-E42 WeakPolarHBondContact O-CB 3.43Å; A39-E42 PolarHBondContact O-N 2.88Å; E42-L45 PolarHBondContact O-N 3.01Å; E42-K46 WeakPolarHBondContact O-CG 3.33Å; E42-K46 PolarHBondContact O-N 3.44Å; E42-K46 VanDerWaalsContact OE1-CE 3.22Å; E42-K46 WeakPolarHBondContact OE1-CE 3.39Å; E42-K46 IonicContact OE1-NZ 2.66Å; E42-K46 PolarHBondContact OE1-NZ 2.88Å; E42-I64 HydrophobicContact CG-CG2 4.17Å; E42-R66 HydrophobicContact CG-CB 4.44Å; E42-R66 WeakPolarHBondContact OE2-CB 3.29Å; E42-R66 IonicContact OE2-NE 3.04Å; E42-I71 HydrophobicContact CB-CD1 3.95Å; E42-I71 HydrophobicContact CG-CD1 4.31Å
43T96Very high94.4Very high67 Ų6755.4 Ų55.441%0.41131%0.31SS..Hα-helixtrans-63.7-43.1178.254.80000111.4A39 N40 L45 K46 E47A39-T43 PolarHBondContact O-N 2.93Å; A39-T43 PolarHBondContact O-OG1 2.6Å; N40-T43 WeakPolarHBondContact CA-OG1 3.34Å; N40-T43 PolarHBondContact O-N 3.27Å; N40-T43 PolarHBondContact O-OG1 3.11Å; T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 2.95Å; T43-K46 PolarHBondContact O-N 2.88Å; T43-K46 VanDerWaalsContact O-N 3.12Å; T43-E47 WeakPolarHBondContact O-CG 3.14Å; T43-E47 PolarHBondContact O-N 2.79Å
44F97.3Very high94.3Very high6 Ų658.4 Ų58.43%0.02632%0.318CS..Hα-helixtrans-55.8-43.4174171.1-92.1000112.3N40 F41 E47 R48 L87 K90 Y91N40-F44 WeakPolarHBondContact O-CB 3.36Å; N40-F44 PolarHBondContact O-N 2.97Å; F41-F44 HydrophobicContact CD2-CD1 4.37Å; F41-F44 HydrophobicContact CE2-CD1 4.28Å; F41-F44 PolarHBondContact O-N 2.57Å; F44-E47 PolarHBondContact O-N 3Å; F44-R48 HydrophobicContact CD1-CG 4.42Å; F44-R48 HydrophobicContact CD2-CG 3.83Å; F44-R48 HydrophobicContact CE1-CB 4.31Å; F44-R48 HydrophobicContact CE1-CG 4.15Å; F44-R48 HydrophobicContact CE2-CG 3.57Å; F44-R48 HydrophobicContact CG-CG 4.27Å; F44-R48 HydrophobicContact CZ-CB 4.29Å; F44-R48 HydrophobicContact CZ-CG 3.74Å; F44-R48 VanDerWaalsContact O-CB 3.25Å; F44-R48 WeakPolarHBondContact O-CB 3.25Å; F44-R48 VanDerWaalsContact O-CG 3.26Å; F44-R48 WeakPolarHBondContact O-CG 3.26Å; F44-R48 PolarHBondContact O-N 2.87Å; F44-L87 HydrophobicContact CE1-CB 4.46Å; F44-L87 WeakPolarHBondContact CE1-O 3.37Å; F44-K90 HydrophobicContact CZ-CB 4.35Å; F44-K90 HydrophobicContact CZ-CD 4.48Å; F44-K90 HydrophobicContact CZ-CG 4.3Å; F44-Y91 HydrophobicContact CB-CD2 3.84Å; F44-Y91 HydrophobicContact CB-CE2 4.04Å; F44-Y91 AromaticContact CD1-CD2 3.78Å; F44-Y91 HydrophobicContact CD1-CD2 3.78Å; F44-Y91 HydrophobicContact CD1-CG 4.26Å; F44-Y91 AromaticContact CD2-CD2 3.82Å; F44-Y91 HydrophobicContact CD2-CD2 3.82Å; F44-Y91 HydrophobicContact CE1-CD2 4.27Å; F44-Y91 HydrophobicContact CE1-CG 4.45Å; F44-Y91 HydrophobicContact CE2-CD2 4.27Å; F44-Y91 AromaticContact CG-CD2 3.53Å; F44-Y91 HydrophobicContact CG-CD2 3.53Å; F44-Y91 HydrophobicContact CG-CE2 4.23Å; F44-Y91 HydrophobicContact CG-CG 4.43Å; F44-Y91 HydrophobicContact CZ-CD2 4.48Å
45L96.8Very high94.4Very high0 Ų058.8 Ų58.80%031%0.308CS..Hα-helixtrans-66.1-42.6177.3-70.1176.6000111.5F41 E42 T43 E47 R48 V49 I64 I71 L84 L87F41-L45 HydrophobicContact CD1-CD1 4.11Å; F41-L45 HydrophobicContact CE1-CD1 3.58Å; F41-L45 HydrophobicContact CE1-CG 4.17Å; F41-L45 HydrophobicContact CE2-CD2 4.3Å; F41-L45 HydrophobicContact CE2-CG 4.24Å; F41-L45 HydrophobicContact CZ-CD1 3.81Å; F41-L45 HydrophobicContact CZ-CD2 4.03Å; F41-L45 HydrophobicContact CZ-CG 3.98Å; F41-L45 WeakPolarHBondContact O-CG 3.28Å; F41-L45 PolarHBondContact O-N 3.18Å; E42-L45 PolarHBondContact O-N 3.01Å; T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 2.95Å; L45-E47 PolarHBondContact O-N 2.82Å; L45-R48 PolarHBondContact O-N 2.89Å; L45-V49 HydrophobicContact CB-CG2 4.47Å; L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.45Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 3.1Å; L45-I64 HydrophobicContact CB-CD1 3.99Å; L45-I64 HydrophobicContact CB-CG2 4.43Å; L45-I64 HydrophobicContact CD1-CG2 4.44Å; L45-I71 HydrophobicContact CD1-CG2 3.85Å; L45-L84 HydrophobicContact CD1-CD1 4.27Å; L45-L84 HydrophobicContact CD2-CD1 4.19Å; L45-L87 HydrophobicContact CD2-CB 3.84Å; L45-L87 HydrophobicContact CD2-CD1 4.04Å
46K95.2Very high94.1Very high91 Ų9158.8 Ų58.840%0.39633%0.325SS..Hα-helixtrans-58.9-35175.3-71.5176.7-176.7170.40112.3E42 T43 L58 I64E42-K46 WeakPolarHBondContact O-CG 3.33Å; E42-K46 PolarHBondContact O-N 3.44Å; E42-K46 VanDerWaalsContact OE1-CE 3.22Å; E42-K46 WeakPolarHBondContact OE1-CE 3.39Å; E42-K46 IonicContact OE1-NZ 2.66Å; E42-K46 PolarHBondContact OE1-NZ 2.88Å; T43-K46 PolarHBondContact O-N 2.88Å; T43-K46 VanDerWaalsContact O-N 3.12Å; K46-L58 HydrophobicContact CB-CD1 4.13Å; K46-L58 HydrophobicContact CG-CD1 4.45Å; K46-L58 WeakPolarHBondContact O-CD1 3.05Å; K46-I64 HydrophobicContact CG-CB 4.44Å; K46-I64 HydrophobicContact CG-CD1 4.11Å
47E95.9Very high93.7Very high127 Ų12763.1 Ų63.159%0.59335%0.348SS*.Hα-helixtrans-79.3-37177.8-69.9174.2-175.800113.4T43 F44 L45 T55T43-E47 WeakPolarHBondContact O-CG 3.14Å; T43-E47 PolarHBondContact O-N 2.79Å; F44-E47 PolarHBondContact O-N 3Å; L45-E47 PolarHBondContact O-N 2.82Å; E47-T55 WeakPolarHBondContact O-CB 3.39Å; E47-T55 WeakPolarHBondContact O-CG2 3.42Å
48R96.4Very high93.3Very high94 Ų9460.3 Ų60.336%0.35533%0.333SS..Hα-helixtrans-98.2-19.6-167.6-66.4-60.1-156.4135.54.3114.9F44 L45 K50 Y83 L87F44-R48 HydrophobicContact CD1-CG 4.42Å; F44-R48 HydrophobicContact CD2-CG 3.83Å; F44-R48 HydrophobicContact CE1-CB 4.31Å; F44-R48 HydrophobicContact CE1-CG 4.15Å; F44-R48 HydrophobicContact CE2-CG 3.57Å; F44-R48 HydrophobicContact CG-CG 4.27Å; F44-R48 HydrophobicContact CZ-CB 4.29Å; F44-R48 HydrophobicContact CZ-CG 3.74Å; F44-R48 VanDerWaalsContact O-CB 3.25Å; F44-R48 WeakPolarHBondContact O-CB 3.25Å; F44-R48 VanDerWaalsContact O-CG 3.26Å; F44-R48 WeakPolarHBondContact O-CG 3.26Å; F44-R48 PolarHBondContact O-N 2.87Å; L45-R48 PolarHBondContact O-N 2.89Å; R48-K50 PolarHBondContact O-N 2.83Å; R48-Y83 PolarHBondContact O-OH 3.23Å; R48-L87 HydrophobicContact CB-CD2 3.94Å
49V96.1Very high92.6Very high1 Ų163.2 Ų63.21%0.00636%0.358CS..  trans-64.9130.1175.3170.60000109.3L45 L58 I62 I64 F79 Y83 L87L45-V49 HydrophobicContact CB-CG2 4.47Å; L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.45Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 3.1Å; V49-L58 HydrophobicContact CB-CD2 3.84Å; V49-L58 HydrophobicContact CG1-CD2 3.5Å; V49-I62 HydrophobicContact CG1-CD1 3.6Å; V49-I64 HydrophobicContact CG2-CD1 4.11Å; V49-F79 HydrophobicContact CG1-CE2 4.01Å; V49-Y83 HydrophobicContact CG1-CE1 4.35Å; V49-L87 HydrophobicContact CB-CD1 4.4Å; V49-L87 HydrophobicContact CG2-CD1 3.45Å; V49-L87 VanDerWaalsContact CG2-CD1 3.45Å
50K93.6Very high91.9Very high113 Ų11369 Ų6949%0.49138%0.384SS..  trans-105137178-67.9-178.8174-163.20110.8R48 K54 T55 Y83R48-K50 PolarHBondContact O-N 2.83Å; K50-K54 CarbonylContact C-O 3.58Å; K50-K54 VanDerWaalsContact CA-O 3.26Å; K50-K54 WeakPolarHBondContact CA-O 3.46Å; K50-T55 HydrophobicContact CD-CG2 4.42Å; K50-T55 HydrophobicContact CG-CG2 3.56Å; K50-Y83 WeakPolarHBondContact CB-OH 3.39Å; K50-Y83 PolarHBondContact N-OH 3.38Å
51V90.7Very high91.6Very high10 Ų1066.9 Ų66.96%0.06137%0.374CS..BIsolated β-bridgetrans-117.3123.3167.6-1790000107G53 K54 L58 V61 I62 K77V51-G53 PolarHBondContact O-N 3.06Å; V51-K54 PolarHBondContact N-O 3.06Å; V51-K54 PolarHBondContact O-N 3.03Å; V51-K54 VanDerWaalsContact O-N 3.16Å; V51-L58 HydrophobicContact CG2-CD2 4.31Å; V51-V61 HydrophobicContact CG1-CG1 4.21Å; V51-I62 HydrophobicContact CG2-CD1 3.55Å; V51-I62 HydrophobicContact CG2-CG1 4.07Å; V51-K77 HydrophobicContact CG1-CD 4.49Å
52N88.3Confident91.4Very high138 Ų13867.7 Ų67.774%0.73838%0.378SS*.THydrogen-bonded Turntrans51.740.2-175.6-64.8-2.9000113.3K54N52-K54 VanDerWaalsContact C-N 3.29Å; N52-K54 PolarHBondContact O-N 3.3Å
53G89.9Confident91.3Very high56 Ų5672.5 Ų72.558%0.57740%0.401SS*.THydrogen-bonded Turntrans82.3-9.1177.500000116V51V51-G53 PolarHBondContact O-N 3.06Å
54K91.6Very high91.3Very high161 Ų16169.9 Ų69.970%0.738%0.384SS*.BIsolated β-bridgetrans-109.4140.3-179.1-62.3-175.7-179.7-177.50111.8K50 V51 N52K50-K54 CarbonylContact C-O 3.58Å; K50-K54 VanDerWaalsContact CA-O 3.26Å; K50-K54 WeakPolarHBondContact CA-O 3.46Å; V51-K54 PolarHBondContact N-O 3.06Å; V51-K54 PolarHBondContact O-N 3.03Å; V51-K54 VanDerWaalsContact O-N 3.16Å; N52-K54 VanDerWaalsContact C-N 3.29Å; N52-K54 PolarHBondContact O-N 3.3Å
55T92.9Very high91.2Very high72 Ų7271.3 Ų71.344%0.44240%0.397SS..SBendtrans-83.5166.8170.248.10000110.6E47 K50 N57E47-T55 WeakPolarHBondContact O-CB 3.39Å; E47-T55 WeakPolarHBondContact O-CG2 3.42Å; K50-T55 HydrophobicContact CD-CG2 4.42Å; K50-T55 HydrophobicContact CG-CG2 3.56Å; T55-N57 PolarHBondContact O-N 2.93Å
56G86.6Confident91.1Very high70 Ų7076.6 Ų76.672%0.72242%0.417SS*.SBendtrans77.2-4.4174.400000115.8
57N86.7Confident91.1Very high98 Ų9877.3 Ų77.352%0.52442%0.424SS..  trans-107.856.5179.2-167.333.5000112.2T55T55-N57 PolarHBondContact O-N 2.93Å
58L85.7Confident90.7Very high23 Ų2379.7 Ų79.712%0.1243%0.433CS..  trans-89.2-24.2-178.3-66.5168.4000113.4K46 V49 V51 N60 V61 I62 I64K46-L58 HydrophobicContact CB-CD1 4.13Å; K46-L58 HydrophobicContact CG-CD1 4.45Å; K46-L58 WeakPolarHBondContact O-CD1 3.05Å; V49-L58 HydrophobicContact CB-CD2 3.84Å; V49-L58 HydrophobicContact CG1-CD2 3.5Å; V51-L58 HydrophobicContact CG2-CD2 4.31Å; L58-N60 PolarHBondContact O-N 2.93Å; L58-V61 PolarHBondContact O-N 3.3Å; L58-I62 HydrophobicContact CD2-CB 3.89Å; L58-I62 HydrophobicContact CD2-CD1 4.16Å; L58-I62 HydrophobicContact CD2-CG1 4.42Å; L58-I62 HydrophobicContact CD2-CG2 4.33Å; L58-I62 PolarHBondContact O-N 3.22Å; L58-I64 HydrophobicContact CD1-CD1 4.4Å
59A80.7Confident90.5Very high72 Ų7276.8 Ų76.860%0.59542%0.424SS*.THydrogen-bonded Turntrans-51.6128.6-171.200000111.5V61A59-V61 PolarHBondContact O-N 3.02Å
60N80.6Confident90.6Very high150 Ų15081 Ų8180%0.80244%0.443SS*.THydrogen-bonded Turntrans65.1-7.8-179.7-53.7-35.6000116.9L58 Q76L58-N60 PolarHBondContact O-N 2.93Å; N60-Q76 PolarHBondContact O-OE1 2.92Å
61V90.1Very high90.7Very high28 Ų2875.6 Ų75.617%0.1742%0.419CS..THydrogen-bonded Turntrans-104.9-47.7-177.4-176.60000112V51 L58 A59 S75 Q76 K77V51-V61 HydrophobicContact CG1-CG1 4.21Å; L58-V61 PolarHBondContact O-N 3.3Å; A59-V61 PolarHBondContact O-N 3.02Å; V61-S75 WeakPolarHBondContact O-CA 3.22Å; V61-Q76 PolarHBondContact O-N 2.66Å; V61-K77 HydrophobicContact CG1-CB 3.78Å; V61-K77 HydrophobicContact CG1-CD 3.76Å; V61-K77 HydrophobicContact CG1-CG 3.71Å
62I93.4Very high91Very high17 Ų1777.2 Ų77.29%0.08743%0.427CS..EExtended strand (participates in β ladder)trans-126.7123.4-178.8-55.4-177000108.5V49 V51 L58 I64 V73 T74 F79V49-I62 HydrophobicContact CG1-CD1 3.6Å; V51-I62 HydrophobicContact CG2-CD1 3.55Å; V51-I62 HydrophobicContact CG2-CG1 4.07Å; L58-I62 HydrophobicContact CD2-CB 3.89Å; L58-I62 HydrophobicContact CD2-CD1 4.16Å; L58-I62 HydrophobicContact CD2-CG1 4.42Å; L58-I62 HydrophobicContact CD2-CG2 4.33Å; L58-I62 PolarHBondContact O-N 3.22Å; I62-I64 HydrophobicContact CG2-CG1 4.04Å; I62-V73 HydrophobicContact CG2-CG1 3.87Å; I62-T74 CarbonylContact C-O 3.59Å; I62-T74 WeakPolarHBondContact CA-O 3.41Å; I62-F79 HydrophobicContact CD1-CD2 3.76Å; I62-F79 HydrophobicContact CD1-CE2 4.1Å
63E93.9Very high91.4Very high128 Ų12870.7 Ų70.760%0.59839%0.393SS*.EExtended strand (participates in β ladder)trans-104125.9172.3-173.5179.2-178.600108.8V73 T74E63-V73 WeakPolarHBondContact O-CA 3.44Å; E63-T74 PolarHBondContact N-O 3.37Å; E63-T74 PolarHBondContact O-N 3.08Å
64I95.5Very high91.7Very high13 Ų1370.1 Ų70.17%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-117.9114.9176-56.8168.8000105.9E42 L45 K46 V49 L58 I62 I71 N72 V73E42-I64 HydrophobicContact CG-CG2 4.17Å; L45-I64 HydrophobicContact CB-CD1 3.99Å; L45-I64 HydrophobicContact CB-CG2 4.43Å; L45-I64 HydrophobicContact CD1-CG2 4.44Å; K46-I64 HydrophobicContact CG-CB 4.44Å; K46-I64 HydrophobicContact CG-CD1 4.11Å; V49-I64 HydrophobicContact CG2-CD1 4.11Å; L58-I64 HydrophobicContact CD1-CD1 4.4Å; I62-I64 HydrophobicContact CG2-CG1 4.04Å; I64-I71 HydrophobicContact CG2-CG2 3.95Å; I64-N72 WeakPolarHBondContact CA-O 3.21Å; I64-V73 HydrophobicContact CG1-CG1 4.42Å; I64-V73 HydrophobicContact CG1-CG2 4.39Å; I64-V73 HydrophobicContact CG2-CG2 4.48Å
65A94.9Very high91.8Very high35 Ų3562.5 Ų62.529%0.28935%0.345SS..EExtended strand (participates in β ladder)trans-123.5134.9-176.800000110.4N72A65-N72 PolarHBondContact N-O 3.28Å; A65-N72 PolarHBondContact O-N 3.35Å
66R95.5Very high91.7Very high112 Ų11266.1 Ų66.142%0.42336%0.357SS..EExtended strand (participates in β ladder)trans-93128.2172179.9178.561.21531.8110.8S38 A39 E42 I71S38-R66 WeakPolarHBondContact OG-CD 3.47Å; S38-R66 PolarHBondContact OG-NH1 2.95Å; A39-R66 VanDerWaalsContact CB-NH1 3.29Å; E42-R66 HydrophobicContact CG-CB 4.44Å; E42-R66 WeakPolarHBondContact OE2-CB 3.29Å; E42-R66 IonicContact OE2-NE 3.04Å; R66-I71 HydrophobicContact CB-CD1 3.77Å; R66-I71 HydrophobicContact CG-CD1 3.95Å
67L93.5Very high91.9Very high105 Ų10567.2 Ų67.255%0.5534%0.342SS..EExtended strand (participates in β ladder)trans-117.180.8170.9-66.5-179.5000108.6N69 K70 N72L67-N69 PolarHBondContact O-N 3.48Å; L67-K70 HydrophobicContact CB-CB 4.46Å; L67-K70 PolarHBondContact N-O 3.3Å; L67-K70 PolarHBondContact O-N 2.91Å; L67-N72 WeakPolarHBondContact CD1-ND2 3.41Å
68K88.4Confident92.1Very high178 Ų17869.8 Ų69.877%0.77435%0.35SS*.THydrogen-bonded Turntrans56.4-99.7-177-122.1-176.7-178.7-173.10110.9S38S38-K68 PolarHBondContact OG-O 3.13Å
69N93Very high92.4Very high33 Ų3369 Ų6918%0.17635%0.346CS..THydrogen-bonded Turntrans-96.92.6-176.3-58.5-3.6000112.7L27 V31 E32 L67L27-N69 WeakPolarHBondContact CA-O 3.43Å; L27-N69 VanDerWaalsContact CB-O 3.26Å; L27-N69 WeakPolarHBondContact CB-O 3.43Å; L27-N69 PolarHBondContact N-O 3.02Å; V31-N69 WeakPolarHBondContact CG1-OD1 3.47Å; E32-N69 PolarHBondContact OE1-ND2 3.16Å; L67-N69 PolarHBondContact O-N 3.48Å
70K96.2Very high93.1Very high89 Ų8968.3 Ų68.339%0.38734%0.337SS..EExtended strand (participates in β ladder)trans-116.8143.4178.6-64.2-174.5178.1-166.50110.8T24 L25 D26 L67T24-K70 HydrophobicContact CG2-CB 4.35Å; T24-K70 HydrophobicContact CG2-CD 4.35Å; L25-K70 WeakPolarHBondContact O-CA 3.43Å; D26-K70 WeakPolarHBondContact OD2-CE 3.29Å; D26-K70 IonicContact OD2-NZ 2.64Å; D26-K70 PolarHBondContact OD2-NZ 2.81Å; L67-K70 HydrophobicContact CB-CB 4.46Å; L67-K70 PolarHBondContact N-O 3.3Å; L67-K70 PolarHBondContact O-N 2.91Å
71I97.6Very high93.8Very high0 Ų062.6 Ų62.60%031%0.305CS..EExtended strand (participates in β ladder)trans-111.6123.7170.2-61.8-72.1000108.6T24 L25 L27 F41 E42 L45 I64 R66 V73T24-I71 CarbonylContact C-O 3.57Å; T24-I71 WeakPolarHBondContact CA-O 3.03Å; L25-I71 HydrophobicContact CB-CB 4.5Å; L25-I71 PolarHBondContact N-O 2.92Å; L25-I71 PolarHBondContact O-N 3.23Å; L27-I71 HydrophobicContact CD1-CG1 3.76Å; F41-I71 HydrophobicContact CD1-CG1 3.97Å; F41-I71 HydrophobicContact CE1-CG1 4.31Å; E42-I71 HydrophobicContact CB-CD1 3.95Å; E42-I71 HydrophobicContact CG-CD1 4.31Å; L45-I71 HydrophobicContact CD1-CG2 3.85Å; I64-I71 HydrophobicContact CG2-CG2 3.95Å; R66-I71 HydrophobicContact CB-CD1 3.77Å; R66-I71 HydrophobicContact CG-CD1 3.95Å; I71-V73 HydrophobicContact CG2-CG2 4.25Å
72N97Very high94.2Very high43 Ų4370.8 Ų70.823%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-103.3129.3174-73.9-15.3000109.8T24 I64 A65 L67T24-N72 VanDerWaalsContact CG2-OD1 3.28Å; T24-N72 WeakPolarHBondContact CG2-OD1 3.33Å; T24-N72 PolarHBondContact OG1-OD1 3.34Å; I64-N72 WeakPolarHBondContact CA-O 3.21Å; A65-N72 PolarHBondContact N-O 3.28Å; A65-N72 PolarHBondContact O-N 3.35Å; L67-N72 WeakPolarHBondContact CD1-ND2 3.41Å
73V96.8Very high94.4Very high2 Ų272.4 Ų72.41%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-115.8113.1174.3-176.70000108K22 F23 I62 E63 I64 I71 F79 L84K22-V73 WeakPolarHBondContact CA-O 3.09Å; F23-V73 PolarHBondContact N-O 3.31Å; F23-V73 PolarHBondContact O-N 3.06Å; I62-V73 HydrophobicContact CG2-CG1 3.87Å; E63-V73 WeakPolarHBondContact O-CA 3.44Å; I64-V73 HydrophobicContact CG1-CG1 4.42Å; I64-V73 HydrophobicContact CG1-CG2 4.39Å; I64-V73 HydrophobicContact CG2-CG2 4.48Å; I71-V73 HydrophobicContact CG2-CG2 4.25Å; V73-F79 HydrophobicContact CG1-CD1 4.32Å; V73-F79 HydrophobicContact CG1-CE1 3.86Å; V73-F79 HydrophobicContact CG1-CE2 4.47Å; V73-F79 HydrophobicContact CG1-CZ 3.95Å; V73-L84 HydrophobicContact CG2-CD1 4.05Å; V73-L84 HydrophobicContact CG2-CD2 4.36Å
74T95.2Very high94.6Very high43 Ų4366.3 Ų66.326%0.26431%0.31SS..EExtended strand (participates in β ladder)trans-110.7127.6174.6-59.50000108.9W21 K22 I62 E63W21-T74 CarbonylContact O-C 3.54Å; W21-T74 WeakPolarHBondContact O-CA 3.36Å; K22-T74 HydrophobicContact CG-CG2 4.11Å; I62-T74 CarbonylContact C-O 3.59Å; I62-T74 WeakPolarHBondContact CA-O 3.41Å; E63-T74 PolarHBondContact N-O 3.37Å; E63-T74 PolarHBondContact O-N 3.08Å
75S94.3Very high94.7Very high2 Ų268.7 Ų68.71%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-128.1137.3-180-1790000111.1S20 W21 V61 K77S20-S75 CarbonylContact C-O 3.55Å; S20-S75 WeakPolarHBondContact CA-O 3.41Å; W21-S75 PolarHBondContact N-O 2.95Å; W21-S75 PolarHBondContact O-N 3.39Å; V61-S75 WeakPolarHBondContact O-CA 3.22Å; S75-K77 WeakPolarHBondContact CB-O 3.31Å; S75-K77 PolarHBondContact OG-N 3.44Å; S75-K77 PolarHBondContact OG-O 3.25Å
76Q91.2Very high94.8Very high147 Ų14772.9 Ų72.969%0.68733%0.329SS*.SBendtrans-87.5-11.4170.7-61.4-1733.200113W21 N60 V61W21-Q76 WeakPolarHBondContact CZ3-O 3.16Å; N60-Q76 PolarHBondContact O-OE1 2.92Å; V61-Q76 PolarHBondContact O-N 2.66Å
77K89.2Confident95Very high94 Ų9467.7 Ų67.741%0.40931%0.309SS..SBendtrans-112.2162.9173.1-78.3-170.2-177.5-179.60110.9W21 V51 V61 S75 F79W21-K77 VanDerWaalsContact CZ3-CA 3.49Å; W21-K77 VanDerWaalsContact CZ3-O 3.29Å; W21-K77 WeakPolarHBondContact CZ3-O 3.39Å; V51-K77 HydrophobicContact CG1-CD 4.49Å; V61-K77 HydrophobicContact CG1-CB 3.78Å; V61-K77 HydrophobicContact CG1-CD 3.76Å; V61-K77 HydrophobicContact CG1-CG 3.71Å; S75-K77 WeakPolarHBondContact CB-O 3.31Å; S75-K77 PolarHBondContact OG-N 3.44Å; S75-K77 PolarHBondContact OG-O 3.25Å; K77-F79 PolarHBondContact O-N 3.02Å
78Q90.7Very high95.2Very high151 Ų15162.7 Ų62.771%0.70628%0.283SS*.  trans-48.7111.7177.4-17077.931.300110.3W21W21-Q78 HydrophobicContact CH2-CB 4.37Å; W21-Q78 HydrophobicContact CZ2-CB 4.27Å; W21-Q78 VanDerWaalsContact CZ3-N 3.29Å
79F93.2Very high95.7Very high8 Ų858.6 Ų58.64%0.03527%0.265CS..  trans-129132.3175.2-171.7-90.6000107W21 F23 V49 I62 V73 K77 Y83 L84W21-F79 HydrophobicContact CB-CB 4.39Å; F23-F79 AromaticContact CD2-CD1 3.61Å; F23-F79 HydrophobicContact CD2-CD1 3.61Å; F23-F79 HydrophobicContact CD2-CE1 4.05Å; F23-F79 AromaticContact CE2-CD1 3.75Å; F23-F79 HydrophobicContact CE2-CD1 3.75Å; F23-F79 VanDerWaalsContact CE2-O 3.29Å; F23-F79 WeakPolarHBondContact CE2-O 3.43Å; V49-F79 HydrophobicContact CG1-CE2 4.01Å; I62-F79 HydrophobicContact CD1-CD2 3.76Å; I62-F79 HydrophobicContact CD1-CE2 4.1Å; V73-F79 HydrophobicContact CG1-CD1 4.32Å; V73-F79 HydrophobicContact CG1-CE1 3.86Å; V73-F79 HydrophobicContact CG1-CE2 4.47Å; V73-F79 HydrophobicContact CG1-CZ 3.95Å; K77-F79 PolarHBondContact O-N 3.02Å; F79-Y83 HydrophobicContact CD2-CD1 4.21Å; F79-Y83 AromaticContact CE2-CD1 3.6Å; F79-Y83 HydrophobicContact CE2-CD1 3.6Å; F79-Y83 HydrophobicContact CE2-CE1 4.01Å; F79-Y83 HydrophobicContact CZ-CD1 4Å; F79-L84 HydrophobicContact CE1-CB 4.15Å; F79-L84 HydrophobicContact CZ-CB 4.46Å
80S94.7Very high95.9Very high57 Ų5760.2 Ų60.240%0.39927%0.271SS..  trans-101.9137.3-177.771.80000110.5R82 Y83 L84S80-R82 PolarHBondContact O-N 3.28Å; S80-Y83 WeakPolarHBondContact O-CB 3.35Å; S80-Y83 PolarHBondContact O-N 3.29Å; S80-Y83 WeakPolarHBondContact OG-CB 3.19Å; S80-Y83 PolarHBondContact OG-N 3.2Å; S80-L84 PolarHBondContact O-N 3.12Å
81K96.4Very high96Very high29 Ų2956.3 Ų56.313%0.12625%0.254CS..Hα-helixtrans-52-43.8169.9-174.5169.6-177.2-158.80111.3F23 Y83 L84 K85 D107 K108 T110 Y111F23-K81 HydrophobicContact CD1-CB 3.75Å; F23-K81 HydrophobicContact CD1-CD 4.09Å; F23-K81 HydrophobicContact CD1-CG 3.99Å; F23-K81 HydrophobicContact CE1-CB 3.58Å; F23-K81 HydrophobicContact CE1-CD 4.33Å; F23-K81 HydrophobicContact CE1-CG 4.26Å; F23-K81 HydrophobicContact CE2-CB 4.48Å; F23-K81 HydrophobicContact CG-CB 4.3Å; F23-K81 HydrophobicContact CZ-CB 3.96Å; K81-Y83 PolarHBondContact O-N 3.28Å; K81-Y83 VanDerWaalsContact O-N 3.16Å; K81-L84 WeakPolarHBondContact O-CA 3.47Å; K81-L84 VanDerWaalsContact O-CB 3.29Å; K81-L84 WeakPolarHBondContact O-CB 3.33Å; K81-L84 PolarHBondContact O-N 3.13Å; K81-K85 PolarHBondContact O-N 2.82Å; K81-K85 VanDerWaalsContact O-N 3.11Å; K81-D107 PolarHBondContact NZ-O 3.31Å; K81-K108 WeakPolarHBondContact CD-O 3.38Å; K81-K108 PolarHBondContact NZ-O 3.05Å; K81-K108 VanDerWaalsContact NZ-O 3.12Å; K81-T110 VanDerWaalsContact CE-O 3.28Å; K81-T110 WeakPolarHBondContact CE-O 3.46Å; K81-T110 PolarHBondContact NZ-O 2.92Å; K81-Y111 HydrophobicContact CB-CE2 4.36Å; K81-Y111 HydrophobicContact CD-CD2 4.37Å; K81-Y111 HydrophobicContact CD-CE2 3.9Å; K81-Y111 VanDerWaalsContact CE-CE2 3.47Å; K81-Y111 HydrophobicContact CG-CD2 3.85Å; K81-Y111 HydrophobicContact CG-CE2 3.16Å; K81-Y111 VanDerWaalsContact O-CE2 3.32Å; K81-Y111 WeakPolarHBondContact O-CE2 3.21Å
82R97.8Very high96Very high200 Ų20056.4 Ų56.476%0.75525%0.254SS*.Hα-helixtrans-54.5-36.8177.2-173.2-177.5-62.2-86.4-0.3113.1S80 K85 Y86S80-R82 PolarHBondContact O-N 3.28Å; R82-K85 WeakPolarHBondContact O-CB 3.49Å; R82-K85 PolarHBondContact O-N 2.95Å; R82-Y86 PolarHBondContact O-N 3.14Å
83Y97.4Very high96Very high51 Ų5160.1 Ų60.120%0.227%0.268CS..Hα-helixtrans-66.6-39.1177.2-177.9-141.6000112.1R48 V49 K50 F79 S80 K81 K85 Y86 L87R48-Y83 PolarHBondContact O-OH 3.23Å; V49-Y83 HydrophobicContact CG1-CE1 4.35Å; K50-Y83 WeakPolarHBondContact CB-OH 3.39Å; K50-Y83 PolarHBondContact N-OH 3.38Å; F79-Y83 HydrophobicContact CD2-CD1 4.21Å; F79-Y83 AromaticContact CE2-CD1 3.6Å; F79-Y83 HydrophobicContact CE2-CD1 3.6Å; F79-Y83 HydrophobicContact CE2-CE1 4.01Å; F79-Y83 HydrophobicContact CZ-CD1 4Å; S80-Y83 WeakPolarHBondContact O-CB 3.35Å; S80-Y83 PolarHBondContact O-N 3.29Å; S80-Y83 WeakPolarHBondContact OG-CB 3.19Å; S80-Y83 PolarHBondContact OG-N 3.2Å; K81-Y83 PolarHBondContact O-N 3.28Å; K81-Y83 VanDerWaalsContact O-N 3.16Å; Y83-K85 PolarHBondContact O-N 2.91Å; Y83-Y86 AromaticContact CD2-CD1 3.97Å; Y83-Y86 HydrophobicContact CD2-CD1 3.97Å; Y83-Y86 AromaticContact CE2-CD1 3.92Å; Y83-Y86 HydrophobicContact CE2-CD1 3.92Å; Y83-Y86 HydrophobicContact CE2-CE1 4.34Å; Y83-Y86 WeakPolarHBondContact O-CB 3.22Å; Y83-Y86 PolarHBondContact O-N 2.93Å; Y83-L87 HydrophobicContact CD2-CD1 4.45Å; Y83-L87 HydrophobicContact CD2-CG 4.23Å; Y83-L87 HydrophobicContact CE1-CD1 4.12Å; Y83-L87 HydrophobicContact CE2-CD1 3.98Å; Y83-L87 HydrophobicContact CE2-CD2 4.01Å; Y83-L87 HydrophobicContact CE2-CG 3.83Å; Y83-L87 PolarHBondContact O-N 2.91Å
84L97.5Very high96Very high0 Ų066.8 Ų66.80%030%0.297CS..Hα-helixtrans-58.7-46.9171.5-171.260000111F23 L25 L45 V73 F79 S80 K81 Y86 L87 T88F23-L84 HydrophobicContact CB-CD2 3.99Å; L25-L84 HydrophobicContact CB-CD2 4.36Å; L25-L84 HydrophobicContact CD1-CD2 4.26Å; L25-L84 HydrophobicContact CD1-CG 4.07Å; L45-L84 HydrophobicContact CD1-CD1 4.27Å; L45-L84 HydrophobicContact CD2-CD1 4.19Å; V73-L84 HydrophobicContact CG2-CD1 4.05Å; V73-L84 HydrophobicContact CG2-CD2 4.36Å; F79-L84 HydrophobicContact CE1-CB 4.15Å; F79-L84 HydrophobicContact CZ-CB 4.46Å; S80-L84 PolarHBondContact O-N 3.12Å; K81-L84 WeakPolarHBondContact O-CA 3.47Å; K81-L84 VanDerWaalsContact O-CB 3.29Å; K81-L84 WeakPolarHBondContact O-CB 3.33Å; K81-L84 PolarHBondContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 3.35Å; L84-L87 PolarHBondContact O-N 3.19Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L84-T88 PolarHBondContact O-N 3.29Å; L84-T88 PolarHBondContact O-OG1 3.24Å
85K98.1Very high96.1Very high63 Ų6367.8 Ų67.827%0.27430%0.301SS..Hα-helixtrans-56.5-42.5175.3-176167.9-174.3166.50112.7K81 R82 Y83 K89 V103 Y111K81-K85 PolarHBondContact O-N 2.82Å; K81-K85 VanDerWaalsContact O-N 3.11Å; R82-K85 WeakPolarHBondContact O-CB 3.49Å; R82-K85 PolarHBondContact O-N 2.95Å; Y83-K85 PolarHBondContact O-N 2.91Å; K85-K89 WeakPolarHBondContact O-CB 3Å; K85-K89 WeakPolarHBondContact O-CG 3.44Å; K85-K89 PolarHBondContact O-N 3.12Å; K85-V103 WeakPolarHBondContact CE-O 3.49Å; K85-V103 HydrophobicContact CG-CB 4.26Å; K85-V103 HydrophobicContact CG-CG1 4.03Å; K85-V103 PolarHBondContact NZ-O 3.21Å; K85-Y111 HydrophobicContact CB-CD2 4.33Å; K85-Y111 HydrophobicContact CB-CE1 4.47Å; K85-Y111 HydrophobicContact CB-CE2 3.59Å; K85-Y111 HydrophobicContact CD-CE1 3.97Å; K85-Y111 HydrophobicContact CG-CE2 4.49Å
86Y98.4Very high96.1Very high124 Ų12472.2 Ų72.249%0.48633%0.325SS..Hα-helixtrans-60.2-49176.6163.2-95.7000111.3R82 Y83 L84 T88 K89 K90R82-Y86 PolarHBondContact O-N 3.14Å; Y83-Y86 AromaticContact CD2-CD1 3.97Å; Y83-Y86 HydrophobicContact CD2-CD1 3.97Å; Y83-Y86 AromaticContact CE2-CD1 3.92Å; Y83-Y86 HydrophobicContact CE2-CD1 3.92Å; Y83-Y86 HydrophobicContact CE2-CE1 4.34Å; Y83-Y86 WeakPolarHBondContact O-CB 3.22Å; Y83-Y86 PolarHBondContact O-N 2.93Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 3.35Å; Y86-T88 PolarHBondContact O-N 2.9Å; Y86-K89 PolarHBondContact O-N 3.33Å; Y86-K90 HydrophobicContact CE1-CD 4.19Å; Y86-K90 WeakPolarHBondContact O-CB 3.28Å; Y86-K90 PolarHBondContact O-N 3.48Å; Y86-K90 PolarHBondContact OH-NZ 3.5Å
87L98.1Very high96.3Very high2 Ų265.7 Ų65.71%0.0129%0.294CS..Hα-helixtrans-63.5-42.4179.9-69.6176.9000111.8F44 L45 R48 V49 Y83 L84 K90 Y91F44-L87 HydrophobicContact CE1-CB 4.46Å; F44-L87 WeakPolarHBondContact CE1-O 3.37Å; L45-L87 HydrophobicContact CD2-CB 3.84Å; L45-L87 HydrophobicContact CD2-CD1 4.04Å; R48-L87 HydrophobicContact CB-CD2 3.94Å; V49-L87 HydrophobicContact CB-CD1 4.4Å; V49-L87 HydrophobicContact CG2-CD1 3.45Å; V49-L87 VanDerWaalsContact CG2-CD1 3.45Å; Y83-L87 HydrophobicContact CD2-CD1 4.45Å; Y83-L87 HydrophobicContact CD2-CG 4.23Å; Y83-L87 HydrophobicContact CE1-CD1 4.12Å; Y83-L87 HydrophobicContact CE2-CD1 3.98Å; Y83-L87 HydrophobicContact CE2-CD2 4.01Å; Y83-L87 HydrophobicContact CE2-CG 3.83Å; Y83-L87 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.19Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L87-K90 WeakPolarHBondContact O-CB 3.5Å; L87-K90 PolarHBondContact O-N 3.09Å; L87-K90 VanDerWaalsContact O-N 3.14Å; L87-Y91 PolarHBondContact O-N 2.92Å
88T97.9Very high96.6Very high1 Ų166.5 Ų66.51%0.00630%0.295CS..Hα-helixtrans-61-48.6175.5-46.10000111.2L25 F41 L84 Y86 K90 Y91 L92 V103 L113L25-T88 HydrophobicContact CD1-CG2 3.89Å; L25-T88 WeakPolarHBondContact CD1-OG1 3.27Å; L25-T88 HydrophobicContact CD2-CG2 4.47Å; F41-T88 HydrophobicContact CE2-CG2 4.26Å; F41-T88 HydrophobicContact CZ-CG2 3.89Å; L84-T88 PolarHBondContact O-N 3.29Å; L84-T88 PolarHBondContact O-OG1 3.24Å; Y86-T88 PolarHBondContact O-N 2.9Å; T88-K90 PolarHBondContact O-N 3.24Å; T88-Y91 WeakPolarHBondContact O-CB 3.39Å; T88-Y91 PolarHBondContact O-N 3.4Å; T88-Y91 VanDerWaalsContact O-N 3.12Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.31Å; T88-V103 HydrophobicContact CG2-CG2 3.8Å; T88-L113 HydrophobicContact CG2-CD2 3.95Å
89K98.3Very high96.6Very high91 Ų9164.6 Ų64.640%0.39629%0.29SS..Hα-helixtrans-61.1-29.3175.5-78-169.3170.6-163.60113.3K85 Y86 K93 R98 V103K85-K89 WeakPolarHBondContact O-CB 3Å; K85-K89 WeakPolarHBondContact O-CG 3.44Å; K85-K89 PolarHBondContact O-N 3.12Å; Y86-K89 PolarHBondContact O-N 3.33Å; K89-K93 PolarHBondContact O-N 3.28Å; K89-R98 PolarHBondContact O-NE 3.29Å; K89-R98 PolarHBondContact O-NH2 3.2Å; K89-V103 HydrophobicContact CG-CG2 3.92Å
90K98.4Very high96.6Very high67 Ų6770.7 Ų70.729%0.29131%0.312SS..Hα-helixtrans-71.5-43175.5-171.9175.5-168.5164.20111F44 Y86 L87 T88 K93 K94F44-K90 HydrophobicContact CZ-CB 4.35Å; F44-K90 HydrophobicContact CZ-CD 4.48Å; F44-K90 HydrophobicContact CZ-CG 4.3Å; Y86-K90 HydrophobicContact CE1-CD 4.19Å; Y86-K90 WeakPolarHBondContact O-CB 3.28Å; Y86-K90 PolarHBondContact O-N 3.48Å; Y86-K90 PolarHBondContact OH-NZ 3.5Å; L87-K90 WeakPolarHBondContact O-CB 3.5Å; L87-K90 PolarHBondContact O-N 3.09Å; L87-K90 VanDerWaalsContact O-N 3.14Å; T88-K90 PolarHBondContact O-N 3.24Å; K90-K93 PolarHBondContact O-N 3.37Å; K90-K94 PolarHBondContact O-N 3.45Å
91Y98.1Very high96.7Very high7 Ų768.2 Ų68.23%0.02729%0.294CS..Hα-helixtrans-61.4-47.9173.1-177.2-97.3000111.7L36 F41 F44 L87 T88 K93 K94 N95L36-Y91 HydrophobicContact CD1-CD1 4.37Å; L36-Y91 HydrophobicContact CD1-CE1 3.91Å; L36-Y91 HydrophobicContact CG-CE1 4.16Å; F41-Y91 HydrophobicContact CB-CE1 4.29Å; F41-Y91 HydrophobicContact CB-CE2 4.45Å; F41-Y91 AromaticContact CD2-CD1 3.53Å; F41-Y91 HydrophobicContact CD2-CD1 3.53Å; F41-Y91 AromaticContact CD2-CD2 3.79Å; F41-Y91 HydrophobicContact CD2-CD2 3.79Å; F41-Y91 AromaticContact CD2-CE1 3.88Å; F41-Y91 HydrophobicContact CD2-CE1 3.88Å; F41-Y91 HydrophobicContact CD2-CE2 4.1Å; F41-Y91 AromaticContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CD2-CG 3.47Å; F41-Y91 VanDerWaalsContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CE2-CD1 4.04Å; F41-Y91 HydrophobicContact CE2-CD2 4.43Å; F41-Y91 AromaticContact CE2-CG 3.84Å; F41-Y91 HydrophobicContact CE2-CG 3.84Å; F41-Y91 HydrophobicContact CG-CD1 4.48Å; F41-Y91 HydrophobicContact CG-CE1 4.46Å; F44-Y91 HydrophobicContact CB-CD2 3.84Å; F44-Y91 HydrophobicContact CB-CE2 4.04Å; F44-Y91 AromaticContact CD1-CD2 3.78Å; F44-Y91 HydrophobicContact CD1-CD2 3.78Å; F44-Y91 HydrophobicContact CD1-CG 4.26Å; F44-Y91 AromaticContact CD2-CD2 3.82Å; F44-Y91 HydrophobicContact CD2-CD2 3.82Å; F44-Y91 HydrophobicContact CE1-CD2 4.27Å; F44-Y91 HydrophobicContact CE1-CG 4.45Å; F44-Y91 HydrophobicContact CE2-CD2 4.27Å; F44-Y91 AromaticContact CG-CD2 3.53Å; F44-Y91 HydrophobicContact CG-CD2 3.53Å; F44-Y91 HydrophobicContact CG-CE2 4.23Å; F44-Y91 HydrophobicContact CG-CG 4.43Å; F44-Y91 HydrophobicContact CZ-CD2 4.48Å; L87-Y91 PolarHBondContact O-N 2.92Å; T88-Y91 WeakPolarHBondContact O-CB 3.39Å; T88-Y91 PolarHBondContact O-N 3.4Å; T88-Y91 VanDerWaalsContact O-N 3.12Å; Y91-K93 VanDerWaalsContact C-N 3.26Å; Y91-K93 PolarHBondContact O-N 2.99Å; Y91-K94 WeakPolarHBondContact O-CB 3.15Å; Y91-K94 PolarHBondContact O-N 3.04Å; Y91-N95 WeakPolarHBondContact CD1-ND2 3.29Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.31Å; Y91-N95 VanDerWaalsContact CE1-ND2 3.28Å; Y91-N95 WeakPolarHBondContact CE1-ND2 3.23Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.34Å; Y91-N95 PolarHBondContact O-N 3.45Å; Y91-N95 PolarHBondContact O-ND2 2.57Å
92L97.4Very high96.7Very high3 Ų371 Ų712%0.01630%0.304CS..Hα-helixtrans-58.9-38178.1-63.8178.4000111.8L36 T88 N96 L97 R98 L101 V103 L113L36-L92 HydrophobicContact CD1-CD2 4.28Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.31Å; L92-N96 PolarHBondContact O-N 2.88Å; L92-N96 VanDerWaalsContact O-N 3.16Å; L92-L97 HydrophobicContact CB-CB 4.28Å; L92-L97 HydrophobicContact CD2-CB 3.79Å; L92-L97 HydrophobicContact CD2-CD1 3.92Å; L92-L97 HydrophobicContact CD2-CG 4.5Å; L92-L97 PolarHBondContact O-N 3.02Å; L92-R98 HydrophobicContact CB-CG 4.15Å; L92-L101 HydrophobicContact CD1-CB 4.27Å; L92-L101 HydrophobicContact CD2-CB 4.4Å; L92-L101 HydrophobicContact CD2-CD1 4.1Å; L92-V103 HydrophobicContact CD1-CG2 3.97Å; L92-L113 HydrophobicContact CD1-CD2 4.1Å; L92-L113 HydrophobicContact CD2-CD1 4.32Å
93K97.2Very high96.7Very high120 Ų12061.9 Ų61.952%0.52227%0.271SS..Hα-helixtrans-68.1-40.9174.8-172.456.5-176.61700112.5K89 K90 Y91 N95 N96 R98K89-K93 PolarHBondContact O-N 3.28Å; K90-K93 PolarHBondContact O-N 3.37Å; Y91-K93 VanDerWaalsContact C-N 3.26Å; Y91-K93 PolarHBondContact O-N 2.99Å; K93-N95 PolarHBondContact O-N 3.17Å; K93-N96 PolarHBondContact O-N 2.99Å; K93-R98 HydrophobicContact CB-CG 4.37Å; K93-R98 HydrophobicContact CD-CG 4.48Å
94K97.1Very high96.6Very high143 Ų14361.3 Ų61.362%0.62227%0.273SS*.Hα-helixtrans-61.4-35.3-179.7-170.6-172.6176-161.80111.7K90 Y91K90-K94 PolarHBondContact O-N 3.45Å; Y91-K94 WeakPolarHBondContact O-CB 3.15Å; Y91-K94 PolarHBondContact O-N 3.04Å
95N96.3Very high96.7Very high63 Ų6364 Ų6434%0.33729%0.294SS..THydrogen-bonded Turntrans-100.313.3-179.2-57.4-69.1000113.3Y91 K93 L97Y91-N95 WeakPolarHBondContact CD1-ND2 3.29Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.31Å; Y91-N95 VanDerWaalsContact CE1-ND2 3.28Å; Y91-N95 WeakPolarHBondContact CE1-ND2 3.23Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.34Å; Y91-N95 PolarHBondContact O-N 3.45Å; Y91-N95 PolarHBondContact O-ND2 2.57Å; K93-N95 PolarHBondContact O-N 3.17Å; N95-L97 VanDerWaalsContact C-N 3.26Å; N95-L97 HydrophobicContact CB-CD1 4.14Å; N95-L97 HydrophobicContact CB-CG 4.03Å; N95-L97 PolarHBondContact O-N 3.41Å
96N95.3Very high96.6Very high96 Ų9663.2 Ų63.251%0.51330%0.297SS..THydrogen-bonded Turntrans55.931.9179.6-143.852.9000115.7L92 K93L92-N96 PolarHBondContact O-N 2.88Å; L92-N96 VanDerWaalsContact O-N 3.16Å; K93-N96 PolarHBondContact O-N 2.99Å
97L95.4Very high96.5Very high10 Ų1062.4 Ų62.45%0.05230%0.301CS..  trans-95.18.3-177.6-60.9179.5000114I35 L36 L92 N95 D99 W100 L101I35-L97 HydrophobicContact CG2-CD1 4.45Å; I35-L97 HydrophobicContact CG2-CD2 3.44Å; I35-L97 VanDerWaalsContact CG2-CD2 3.44Å; L36-L97 HydrophobicContact CD1-CD1 4.29Å; L92-L97 HydrophobicContact CB-CB 4.28Å; L92-L97 HydrophobicContact CD2-CB 3.79Å; L92-L97 HydrophobicContact CD2-CD1 3.92Å; L92-L97 HydrophobicContact CD2-CG 4.5Å; L92-L97 PolarHBondContact O-N 3.02Å; N95-L97 VanDerWaalsContact C-N 3.26Å; N95-L97 HydrophobicContact CB-CD1 4.14Å; N95-L97 HydrophobicContact CB-CG 4.03Å; N95-L97 PolarHBondContact O-N 3.41Å; L97-D99 VanDerWaalsContact C-N 3.32Å; L97-D99 PolarHBondContact O-N 3Å; L97-W100 HydrophobicContact CD2-CE3 3.68Å; L97-W100 HydrophobicContact CD2-CZ3 3.69Å; L97-L101 HydrophobicContact CB-CD1 4.33Å; L97-L101 HydrophobicContact CD1-CD1 4.39Å; L97-L101 PolarHBondContact O-N 2.98Å
98R94.9Very high96.3Very high111 Ų11171.2 Ų71.242%0.41934%0.339SS..THydrogen-bonded Turntrans-73.7-23.4-171.4-85-154.3179.1167.35.5114.4K89 L92 K93 W100 F116K89-R98 PolarHBondContact O-NE 3.29Å; K89-R98 PolarHBondContact O-NH2 3.2Å; L92-R98 HydrophobicContact CB-CG 4.15Å; K93-R98 HydrophobicContact CB-CG 4.37Å; K93-R98 HydrophobicContact CD-CG 4.48Å; R98-W100 VanDerWaalsContact C-N 3.32Å; R98-F116 VanDerWaalsContact O-CE2 3.31Å; R98-F116 WeakPolarHBondContact O-CE2 3.27Å
99D91.9Very high96.3Very high111 Ų11176.4 Ų76.459%0.59436%0.364SS*.THydrogen-bonded Turntrans-83.2-22-176.2-52.5-31.3000110.3L97 F116L97-D99 VanDerWaalsContact C-N 3.32Å; L97-D99 PolarHBondContact O-N 3Å; D99-F116 VanDerWaalsContact O-CD2 3.23Å; D99-F116 WeakPolarHBondContact O-CD2 3.49Å
100W92.1Very high96.2Very high135 Ų13573.3 Ų73.351%0.51135%0.352SS..THydrogen-bonded Turntrans-97.6-38.8178.1-52.9-46.8000112.9L97 R98 Y115 F116L97-W100 HydrophobicContact CD2-CE3 3.68Å; L97-W100 HydrophobicContact CD2-CZ3 3.69Å; R98-W100 VanDerWaalsContact C-N 3.32Å; W100-Y115 HydrophobicContact CB-CD1 4.41Å; W100-Y115 HydrophobicContact CB-CE1 4.46Å; W100-Y115 VanDerWaalsContact O-CA 3.27Å; W100-Y115 WeakPolarHBondContact O-CA 3.26Å; W100-Y115 WeakPolarHBondContact O-CD1 3.25Å; W100-F116 PolarHBondContact O-N 3.06Å; W100-F116 VanDerWaalsContact O-N 3.13Å
101L95.9Very high96.2Very high5 Ų571.1 Ų71.13%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-118.6135.7-167.8-60.9173.1000113.7P30 L92 L97 L113 R114 Y115P30-L101 HydrophobicContact CB-CD1 3.66Å; P30-L101 HydrophobicContact CB-CD2 4.13Å; P30-L101 HydrophobicContact CG-CD1 4.17Å; P30-L101 HydrophobicContact CG-CD2 4.46Å; L92-L101 HydrophobicContact CD1-CB 4.27Å; L92-L101 HydrophobicContact CD2-CB 4.4Å; L92-L101 HydrophobicContact CD2-CD1 4.1Å; L97-L101 HydrophobicContact CB-CD1 4.33Å; L97-L101 HydrophobicContact CD1-CD1 4.39Å; L97-L101 PolarHBondContact O-N 2.98Å; L101-L113 HydrophobicContact CD1-CD1 4.37Å; L101-R114 WeakPolarHBondContact CA-O 3.44Å; L101-Y115 HydrophobicContact CD2-CD1 3.69Å; L101-Y115 HydrophobicContact CD2-CE1 3.52Å; L101-Y115 HydrophobicContact CD2-CG 4.24Å; L101-Y115 HydrophobicContact CG-CE1 4.43Å
102R96.3Very high96.2Very high89 Ų8972.2 Ų72.234%0.33635%0.348SS..EExtended strand (participates in β ladder)trans-119.7142.6171.258.1175.9-176.4-170.81.9112.4V104 L113 R114 F116R102-V104 HydrophobicContact CG-CG2 3.94Å; R102-L113 WeakPolarHBondContact O-CA 3.45Å; R102-R114 HydrophobicContact CG-CB 4.19Å; R102-R114 VanDerWaalsContact CG-O 3.28Å; R102-R114 WeakPolarHBondContact CG-O 3.41Å; R102-R114 PolarHBondContact N-O 3.05Å; R102-R114 PolarHBondContact O-N 3.06Å; R102-F116 HydrophobicContact CB-CE1 4.1Å; R102-F116 HydrophobicContact CB-CE2 4.06Å; R102-F116 HydrophobicContact CB-CZ 3.72Å; R102-F116 HydrophobicContact CG-CE1 4.33Å; R102-F116 HydrophobicContact CG-CZ 4.34Å
103V97.8Very high96.2Very high7 Ų772.2 Ų72.24%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-88.7111175.1-168.50000110.2K85 T88 K89 L92 Y111 L113K85-V103 WeakPolarHBondContact CE-O 3.49Å; K85-V103 HydrophobicContact CG-CB 4.26Å; K85-V103 HydrophobicContact CG-CG1 4.03Å; K85-V103 PolarHBondContact NZ-O 3.21Å; T88-V103 HydrophobicContact CG2-CG2 3.8Å; K89-V103 HydrophobicContact CG-CG2 3.92Å; L92-V103 HydrophobicContact CD1-CG2 3.97Å; V103-Y111 HydrophobicContact CG1-CD1 4.03Å; V103-Y111 HydrophobicContact CG1-CG 3.97Å; V103-L113 HydrophobicContact CB-CD2 4.26Å; V103-L113 HydrophobicContact CG1-CD2 4.5Å; V103-L113 HydrophobicContact CG2-CD2 3.65Å
104V97.1Very high96.1Very high40 Ų4071.7 Ų71.724%0.24234%0.342CS..EExtended strand (participates in β ladder)trans-116143.3-177-178.20000109.9R102 Y111 E112 R114R102-V104 HydrophobicContact CG-CG2 3.94Å; V104-Y111 CarbonylContact O-C 3.56Å; V104-Y111 WeakPolarHBondContact O-CA 3.26Å; V104-Y111 WeakPolarHBondContact O-CD1 3.49Å; V104-E112 HydrophobicContact CB-CG 4.22Å; V104-E112 PolarHBondContact N-O 3.46Å; V104-E112 PolarHBondContact O-N 2.85Å; V104-R114 HydrophobicContact CB-CG 4.41Å; V104-R114 HydrophobicContact CG2-CB 4.39Å; V104-R114 HydrophobicContact CG2-CG 4.31Å
105A97.8Very high96Very high55 Ų5568.4 Ų68.446%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-83.2118.3173.400000108.8Y111A105-Y111 HydrophobicContact CB-CD1 3.93Å; A105-Y111 HydrophobicContact CB-CE1 3.74Å
106S96.3Very high95.7Very high48 Ų4869.8 Ų69.834%0.33633%0.33SS..SBendtrans-80.9-51.3169.445.30000110.4T110S106-T110 PolarHBondContact N-O 3.48Å; S106-T110 VanDerWaalsContact OG-CB 3.27Å; S106-T110 WeakPolarHBondContact OG-CB 3.45Å; S106-T110 VanDerWaalsContact OG-CG2 3.27Å; S106-T110 WeakPolarHBondContact OG-CG2 3.43Å; S106-T110 PolarHBondContact OG-O 3.43Å
107D96Very high95.1Very high106 Ų10673.2 Ų73.257%0.56734%0.343SS*.SBendtrans-124.4-178.6-179.5-59.1-52.4000112.3K81 E109 T110K81-D107 PolarHBondContact NZ-O 3.31Å; D107-E109 VanDerWaalsContact C-N 3.25Å; D107-E109 PolarHBondContact O-N 2.97Å; D107-T110 PolarHBondContact OD2-OG1 2.93Å
108K95.5Very high94Very high188 Ų18879.4 Ų79.482%0.81737%0.374SS*.SBendtrans-57.8-38.3171.5-170.6176.5179.7-177.80112.2K81K81-K108 WeakPolarHBondContact CD-O 3.38Å; K81-K108 PolarHBondContact NZ-O 3.05Å; K81-K108 VanDerWaalsContact NZ-O 3.12Å
109E96.2Very high92.4Very high110 Ų11078.1 Ų78.151%0.51438%0.382SS..SBendtrans-105.2-10.3-174.8-62.7-176.2165.700113.7F23 T24 D107F23-E109 WeakPolarHBondContact CA-O 3.44Å; F23-E109 HydrophobicContact CD1-CB 4.32Å; T24-E109 PolarHBondContact N-O 3.04Å; T24-E109 VanDerWaalsContact N-O 3.15Å; D107-E109 VanDerWaalsContact C-N 3.25Å; D107-E109 PolarHBondContact O-N 2.97Å
110T97.9Very high90.8Very high26 Ų2682 Ų8216%0.1640%0.397CS..EExtended strand (participates in β ladder)trans-113.4136.2-170.2-46.10000112.3T24 K81 S106 D107T24-T110 HydrophobicContact CG2-CG2 4.38Å; T24-T110 CarbonylContact O-C 3.59Å; T24-T110 WeakPolarHBondContact O-CA 3.39Å; K81-T110 VanDerWaalsContact CE-O 3.28Å; K81-T110 WeakPolarHBondContact CE-O 3.46Å; K81-T110 PolarHBondContact NZ-O 2.92Å; S106-T110 PolarHBondContact N-O 3.48Å; S106-T110 VanDerWaalsContact OG-CB 3.27Å; S106-T110 WeakPolarHBondContact OG-CB 3.45Å; S106-T110 VanDerWaalsContact OG-CG2 3.27Å; S106-T110 WeakPolarHBondContact OG-CG2 3.43Å; S106-T110 PolarHBondContact OG-O 3.43Å; D107-T110 PolarHBondContact OD2-OG1 2.93Å
111Y98.5Very high89.1Confident21 Ų2183.6 Ų83.68%0.08241%0.41CS..EExtended strand (participates in β ladder)trans-110.9157.3161.7-76.6-57.8000110T24 L25 D26 K81 K85 V103 V104 A105T24-Y111 PolarHBondContact O-N 2.86Å; L25-Y111 CarbonylContact C-O 3.57Å; L25-Y111 WeakPolarHBondContact CA-O 3.28Å; D26-Y111 PolarHBondContact N-O 3.35Å; K81-Y111 HydrophobicContact CB-CE2 4.36Å; K81-Y111 HydrophobicContact CD-CD2 4.37Å; K81-Y111 HydrophobicContact CD-CE2 3.9Å; K81-Y111 VanDerWaalsContact CE-CE2 3.47Å; K81-Y111 HydrophobicContact CG-CD2 3.85Å; K81-Y111 HydrophobicContact CG-CE2 3.16Å; K81-Y111 VanDerWaalsContact O-CE2 3.32Å; K81-Y111 WeakPolarHBondContact O-CE2 3.21Å; K85-Y111 HydrophobicContact CB-CD2 4.33Å; K85-Y111 HydrophobicContact CB-CE1 4.47Å; K85-Y111 HydrophobicContact CB-CE2 3.59Å; K85-Y111 HydrophobicContact CD-CE1 3.97Å; K85-Y111 HydrophobicContact CG-CE2 4.49Å; V103-Y111 HydrophobicContact CG1-CD1 4.03Å; V103-Y111 HydrophobicContact CG1-CG 3.97Å; V104-Y111 CarbonylContact O-C 3.56Å; V104-Y111 WeakPolarHBondContact O-CA 3.26Å; V104-Y111 WeakPolarHBondContact O-CD1 3.49Å; A105-Y111 HydrophobicContact CB-CD1 3.93Å; A105-Y111 HydrophobicContact CB-CE1 3.74Å
112E97.4Very high87.1Confident30 Ų3092.2 Ų92.214%0.1445%0.45CS..EExtended strand (participates in β ladder)trans-136.4153.1174.162.3-171.3159.400109.8D26 V104 R114D26-E112 HydrophobicContact CB-CB 4.07Å; D26-E112 WeakPolarHBondContact O-CA 3.36Å; V104-E112 HydrophobicContact CB-CG 4.22Å; V104-E112 PolarHBondContact N-O 3.46Å; V104-E112 PolarHBondContact O-N 2.85Å; E112-R114 HydrophobicContact CG-CG 4.02Å; E112-R114 IonicContact OE1-CZ 3.29Å; E112-R114 IonicContact OE1-NE 3.56Å; E112-R114 PolarHBondContact OE1-NE 3.27Å; E112-R114 IonicContact OE1-NH2 3.71Å; E112-R114 PolarHBondContact OE1-NH2 3.38Å; E112-R114 IonicContact OE2-NE 3.55Å; E112-R114 IonicContact OE2-NH2 2.72Å
113L96.6Very high85Confident2 Ų297.4 Ų97.41%0.0148%0.478CS..EExtended strand (participates in β ladder)trans-92.9120167.6-63.6-172.4000109.4D26 L27 P30 L36 T88 L92 L101 R102 V103D26-L113 PolarHBondContact O-N 2.82Å; D26-L113 VanDerWaalsContact O-N 3.1Å; L27-L113 HydrophobicContact CD2-CD1 3.28Å; L27-L113 HydrophobicContact CD2-CG 3.82Å; P30-L113 HydrophobicContact CG-CB 4.01Å; P30-L113 HydrophobicContact CG-CD1 3.85Å; L36-L113 HydrophobicContact CD1-CD1 3.87Å; T88-L113 HydrophobicContact CG2-CD2 3.95Å; L92-L113 HydrophobicContact CD1-CD2 4.1Å; L92-L113 HydrophobicContact CD2-CD1 4.32Å; L101-L113 HydrophobicContact CD1-CD1 4.37Å; R102-L113 WeakPolarHBondContact O-CA 3.45Å; V103-L113 HydrophobicContact CB-CD2 4.26Å; V103-L113 HydrophobicContact CG1-CD2 4.5Å; V103-L113 HydrophobicContact CG2-CD2 3.65Å
114R95.5Very high82.8Confident110 Ų110105.8 Ų105.842%0.41552%0.517SS..EExtended strand (participates in β ladder)trans-113.6149174.4-63.2-167.9-177.7-167.2-0.1110.1L101 R102 V104 E112L101-R114 WeakPolarHBondContact CA-O 3.44Å; R102-R114 HydrophobicContact CG-CB 4.19Å; R102-R114 VanDerWaalsContact CG-O 3.28Å; R102-R114 WeakPolarHBondContact CG-O 3.41Å; R102-R114 PolarHBondContact N-O 3.05Å; R102-R114 PolarHBondContact O-N 3.06Å; V104-R114 HydrophobicContact CB-CG 4.41Å; V104-R114 HydrophobicContact CG2-CB 4.39Å; V104-R114 HydrophobicContact CG2-CG 4.31Å; E112-R114 HydrophobicContact CG-CG 4.02Å; E112-R114 IonicContact OE1-CZ 3.29Å; E112-R114 IonicContact OE1-NE 3.56Å; E112-R114 PolarHBondContact OE1-NE 3.27Å; E112-R114 IonicContact OE1-NH2 3.71Å; E112-R114 PolarHBondContact OE1-NH2 3.38Å; E112-R114 IonicContact OE2-NE 3.55Å; E112-R114 IonicContact OE2-NH2 2.72Å
115Y94.6Very high80.4Confident74 Ų74109.1 Ų109.129%0.2954%0.542SS..EExtended strand (participates in β ladder)trans-67.8155.8166.6-70.3-75000111.5H29 D33 I35 W100 L101H29-Y115 HydrophobicContact CB-CE2 4.05Å; D33-Y115 WeakPolarHBondContact OD2-CE2 3.34Å; D33-Y115 VanDerWaalsContact OD2-CZ 3.3Å; D33-Y115 PolarHBondContact OD2-OH 3.16Å; I35-Y115 HydrophobicContact CD1-CE1 4.42Å; I35-Y115 WeakPolarHBondContact CD1-OH 3.37Å; W100-Y115 HydrophobicContact CB-CD1 4.41Å; W100-Y115 HydrophobicContact CB-CE1 4.46Å; W100-Y115 VanDerWaalsContact O-CA 3.27Å; W100-Y115 WeakPolarHBondContact O-CA 3.26Å; W100-Y115 WeakPolarHBondContact O-CD1 3.25Å; L101-Y115 HydrophobicContact CD2-CD1 3.69Å; L101-Y115 HydrophobicContact CD2-CE1 3.52Å; L101-Y115 HydrophobicContact CD2-CG 4.24Å; L101-Y115 HydrophobicContact CG-CE1 4.43Å
116F91.5Very high78.1Confident92 Ų92114.5 Ų114.540%0.40456%0.563SS.*  trans-72.6136.4158.6-68.9-81.1000108.8R98 D99 W100 R102 I118R98-F116 VanDerWaalsContact O-CE2 3.31Å; R98-F116 WeakPolarHBondContact O-CE2 3.27Å; D99-F116 VanDerWaalsContact O-CD2 3.23Å; D99-F116 WeakPolarHBondContact O-CD2 3.49Å; W100-F116 PolarHBondContact O-N 3.06Å; W100-F116 VanDerWaalsContact O-N 3.13Å; R102-F116 HydrophobicContact CB-CE1 4.1Å; R102-F116 HydrophobicContact CB-CE2 4.06Å; R102-F116 HydrophobicContact CB-CZ 3.72Å; R102-F116 HydrophobicContact CG-CE1 4.33Å; R102-F116 HydrophobicContact CG-CZ 4.34Å; F116-I118 PolarHBondContact O-N 3.22Å
117Q81.2Confident75.7Confident168 Ų168119.4 Ų119.479%0.78559%0.586SS**  trans-79104.3165.4-74.9163.7-93.600105.7S119Q117-S119 PolarHBondContact O-N 2.92Å
118I72.9Confident73.4Confident140 Ų140122.3 Ų122.372%0.71860%0.601SS**  trans-83.999.6165.2-54.2173.4000103.7F116 Q120F116-I118 PolarHBondContact O-N 3.22Å; I118-Q120 PolarHBondContact O-N 3.25Å
119S62.2Low70.7Confident83 Ų83126.4 Ų126.458%0.5862%0.623SS**  trans-61.3121166.1-600000106.2Q117 E121Q117-S119 PolarHBondContact O-N 2.92Å; S119-E121 PolarHBondContact O-N 3.37Å
120Q58.4Low69.4Low194 Ų194127.2 Ų127.291%0.90763%0.628SS**G310 helixtrans-65.312174.3-88177.8-6.700113.2I118I118-Q120 PolarHBondContact O-N 3.25Å
121E55.2Low67.9Low168 Ų168132.5 Ų132.579%0.78565%0.653SS**G310 helixtrans-94.1-0.7-166.4-117.1169.3-16100114.4S119S119-E121 PolarHBondContact O-N 3.37Å
122E54.1Low66.2Low186 Ų186138.7 Ų138.787%0.86969%0.685SS**G310 helixtrans-101.83.6-179.5-76.4-175.9-174.100114.7
123E53Low64.4Low198 Ų198145.1 Ų145.193%0.92572%0.717SS**SBendtrans-101.92.9177.5-87.5-175.3-169.500114.9
124E51.7Low62.4Low183 Ų183154.1 Ų154.186%0.85576%0.761SS**SBendtrans-108.620.8-176.7-148.5171.7-156.600114.4
125S46Very low60.2Low110 Ų110157 Ų15777%0.76978%0.784SS**SBendtrans-135.229.4-175.9-60.80000116.1
126D49.3Very low57.7Low167 Ų167162.9 Ų162.989%0.89382%0.819SS**SBendtrans-132.936.1174.7-137.97.1000113.2
127N47.1Very low55.1Low152 Ų152168.4 Ų168.481%0.81385%0.851SS**  trans-124.634.5173.8-161.776000113.4
128D45.8Very low52.9Low166 Ų166168.4 Ų168.489%0.88886%0.857SS**  trans-142.171.7168.1-82.2-53.7000110.9
129E39.5Very low51.1Low274 Ų274171 Ų171100%1.2887%0.87SS**  trans-164.30135.7-120.6176.7168.200112.7

Retrieved 129 of 129 residues in 209.3 ms (Link to these results)

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