A0A087YGW2_POEFO Loading...

SUMO-activating enzyme subunit 1

AlphaFold DB , UniProt , Accession A0A087YGW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 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
1M36.3Very low64.5Low239 Ų239134.9 Ų134.9100%1.17768%0.681SS**  0101.90-88.1174.9-9100106.7
2I35.2Very low66.7Low165 Ų165135.6 Ų135.685%0.84668%0.68SS**  trans-77.4117.3165.7-62.9169.1000104K4I2-K4 PolarHBondContact O-N 2.96Å
3E37.6Very low68.5Low184 Ų184126.1 Ų126.186%0.8663%0.632SS**  trans-56.9104.5169.5-72.9177.4159.900106.8E5E3-E5 PolarHBondContact O-N 2.84Å
4K54.8Low70Confident158 Ų158120 Ų12069%0.68761%0.611SS**  trans-64.2115.8166.9-81.4-175.9174.6-176.80104.6I2 D6 D125I2-K4 PolarHBondContact O-N 2.96Å; K4-D6 PolarHBondContact O-N 3.29Å; K4-D125 IonicContact NZ-OD1 3.88Å; K4-D125 PolarHBondContact NZ-OD1 2.92Å
5E56.6Low71.5Confident184 Ų184117 Ų11786%0.8661%0.612SS**PPolyproline II helixtrans-47.9131.5172.8-75.5-177.6157.200109.3E3 P7E3-E5 PolarHBondContact O-N 2.84Å; E5-P7 VanDerWaalsContact O-CD 3.3Å; E5-P7 WeakPolarHBondContact O-CD 3.4Å
6D66.9Low72.9Confident132 Ų132115.1 Ų115.171%0.70660%0.599SS**PPolyproline II helixtrans-62118.3178.3-93.2-29.6000108.8K4 V8K4-D6 PolarHBondContact O-N 3.29Å; D6-V8 PolarHBondContact O-N 2.81Å; D6-V8 VanDerWaalsContact O-N 3.13Å
7P74.5Confident74.2Confident40 Ų40108.5 Ų108.526%0.2656%0.564SS.*PPolyproline II helixtrans-62.8122.9-177.720.8-28.1000109.7E5 K30E5-P7 VanDerWaalsContact O-CD 3.3Å; E5-P7 WeakPolarHBondContact O-CD 3.4Å; P7-K30 HydrophobicContact CG-CB 4.06Å; P7-K30 WeakPolarHBondContact CG-O 3.2Å; P7-K30 WeakPolarHBondContact O-CD 3.35Å; P7-K30 WeakPolarHBondContact O-CG 3.49Å
8V81.3Confident75.4Confident128 Ų128105.1 Ų105.178%0.77655%0.547SS*.PPolyproline II helixtrans-84.1124.6175.6-178.50000108D6D6-V8 PolarHBondContact O-N 2.81Å; D6-V8 VanDerWaalsContact O-N 3.13Å
9I86.7Confident76.5Confident25 Ų25109.7 Ų109.713%0.12856%0.556CS.*PPolyproline II helixtrans-83.3121.8174.8-70.4173.5000107.5E13 A14 L26 Q29 K30I9-E13 HydrophobicContact CG2-CB 3.62Å; I9-A14 HydrophobicContact CG2-CB 4.1Å; I9-L26 HydrophobicContact CD1-CD1 3.54Å; I9-L26 HydrophobicContact CD1-CG 4.38Å; I9-Q29 HydrophobicContact CD1-CB 3.97Å; I9-Q29 HydrophobicContact CD1-CG 3.75Å; I9-K30 HydrophobicContact CD1-CG 3.69Å; I9-K30 HydrophobicContact CG1-CG 4.09Å
10S89.4Confident77.3Confident52 Ų52106.1 Ų106.136%0.36454%0.537SS..PPolyproline II helixtrans-66.2163.8174.263.30000111.9E12 E13 A14S10-E12 VanDerWaalsContact C-N 3.27Å; S10-E12 PolarHBondContact O-N 2.72Å; S10-E13 WeakPolarHBondContact CB-OE2 3.45Å; S10-E13 PolarHBondContact N-OE2 2.9Å; S10-E13 PolarHBondContact O-N 3.4Å; S10-E13 WeakPolarHBondContact OG-CB 3.09Å; S10-E13 VanDerWaalsContact OG-CD 3.28Å; S10-E13 WeakPolarHBondContact OG-CG 3.46Å; S10-E13 PolarHBondContact OG-N 3.05Å; S10-E13 PolarHBondContact OG-OE2 2.88Å; S10-A14 WeakPolarHBondContact O-CB 3.26Å; S10-A14 PolarHBondContact O-N 3.46Å
11E90.1Very high78Confident177 Ų177102.5 Ų102.583%0.82752%0.519SS*.Hα-helixtrans-61.7-37.7177.1-171.6176.1-173.300112.1A14 A15E11-A14 PolarHBondContact O-N 2.81Å; E11-A15 PolarHBondContact O-N 3Å
12E91Very high80.7Confident143 Ų14399.4 Ų99.467%0.66849%0.494SS*.Hα-helixtrans-63.4-46.5175.3-165.1-176177.500111.3S10 A14 A15 Q16 M103S10-E12 VanDerWaalsContact C-N 3.27Å; S10-E12 PolarHBondContact O-N 2.72Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 2.82Å; E12-A15 PolarHBondContact O-N 3.09Å; E12-Q16 WeakPolarHBondContact O-CB 3.36Å; E12-Q16 PolarHBondContact O-N 3.26Å; E12-M103 HydrophobicContact CB-CE 3.9Å; E12-M103 HydrophobicContact CG-CE 3.5Å; E12-M103 VanDerWaalsContact CG-CE 3.5Å
13E90.3Very high83.4Confident12 Ų1297.4 Ų97.46%0.05649%0.485CS..Hα-helixtrans-62.8-39174.9-75165.2143.300111.7I9 S10 A15 Q16 Y17 R33 M103I9-E13 HydrophobicContact CG2-CB 3.62Å; S10-E13 WeakPolarHBondContact CB-OE2 3.45Å; S10-E13 PolarHBondContact N-OE2 2.9Å; S10-E13 PolarHBondContact O-N 3.4Å; S10-E13 WeakPolarHBondContact OG-CB 3.09Å; S10-E13 VanDerWaalsContact OG-CD 3.28Å; S10-E13 WeakPolarHBondContact OG-CG 3.46Å; S10-E13 PolarHBondContact OG-N 3.05Å; S10-E13 PolarHBondContact OG-OE2 2.88Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 3.14Å; E13-Q16 PolarHBondContact O-N 2.85Å; E13-Y17 HydrophobicContact CB-CD2 4Å; E13-Y17 HydrophobicContact CB-CE2 3.96Å; E13-Y17 HydrophobicContact CG-CE2 4Å; E13-Y17 VanDerWaalsContact O-CB 3.3Å; E13-Y17 WeakPolarHBondContact O-CB 3.19Å; E13-Y17 WeakPolarHBondContact O-CD2 3.45Å; E13-Y17 PolarHBondContact O-N 2.79Å; E13-R33 IonicContact OE1-CZ 3.96Å; E13-R33 VanDerWaalsContact OE1-CZ 3.28Å; E13-R33 IonicContact OE1-NE 3.56Å; E13-R33 PolarHBondContact OE1-NE 2.63Å; E13-R33 IonicContact OE1-NH2 3.9Å; E13-R33 PolarHBondContact OE1-NH2 2.87Å; E13-M103 HydrophobicContact CB-CE 4.35Å; E13-M103 HydrophobicContact CB-SD 4.15Å; E13-M103 HydrophobicContact CG-CE 3.7Å; E13-M103 HydrophobicContact CG-CG 4.13Å; E13-M103 HydrophobicContact CG-SD 3.25Å; E13-M103 WeakPolarHBondContact CG-SD 3.41Å
14A90.1Very high85.9Confident41 Ų4189.8 Ų89.834%0.33945%0.448SS..Hα-helixtrans-63.8-39177.100000111.8I9 S10 E11 E12 D18I9-A14 HydrophobicContact CG2-CB 4.1Å; S10-A14 WeakPolarHBondContact O-CB 3.26Å; S10-A14 PolarHBondContact O-N 3.46Å; E11-A14 PolarHBondContact O-N 2.81Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 2.82Å; A14-D18 WeakPolarHBondContact O-CA 3.3Å; A14-D18 PolarHBondContact O-N 3.36Å; A14-D18 VanDerWaalsContact O-N 3.13Å
15A92.1Very high87.7Confident75 Ų7583.6 Ų83.662%0.6243%0.429SS*.Hα-helixtrans-69.5-45.9175.700000111.9E11 E12 E13 D18E11-A15 PolarHBondContact O-N 3Å; E12-A15 PolarHBondContact O-N 3.09Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 3.14Å; A15-D18 PolarHBondContact O-N 3.28Å
16Q93.9Very high89.4Confident87 Ų8778.6 Ų78.641%0.40741%0.408SS..Hα-helixtrans-64.5-42.6-180-178.5169-27.300112.1E12 E13 N101 M103E12-Q16 WeakPolarHBondContact O-CB 3.36Å; E12-Q16 PolarHBondContact O-N 3.26Å; E13-Q16 PolarHBondContact O-N 2.85Å; Q16-N101 VanDerWaalsContact NE2-CG 3.34Å; Q16-N101 PolarHBondContact NE2-ND2 3.41Å; Q16-N101 PolarHBondContact NE2-OD1 3.4Å; Q16-M103 HydrophobicContact CB-CE 4.46Å; Q16-M103 PolarHBondContact OE1-SD 3.15Å; Q16-M103 VanDerWaalsContact OE1-SD 3.35Å
17Y95.6Very high90.6Very high3 Ų377.2 Ų77.21%0.01240%0.4CS..THydrogen-bonded Turntrans-9412-177.7-55.2-46.5000113.6E13 R19 Q20 I21 Q29 G57 N101 M103E13-Y17 HydrophobicContact CB-CD2 4Å; E13-Y17 HydrophobicContact CB-CE2 3.96Å; E13-Y17 HydrophobicContact CG-CE2 4Å; E13-Y17 VanDerWaalsContact O-CB 3.3Å; E13-Y17 WeakPolarHBondContact O-CB 3.19Å; E13-Y17 WeakPolarHBondContact O-CD2 3.45Å; E13-Y17 PolarHBondContact O-N 2.79Å; Y17-R19 VanDerWaalsContact C-N 3.28Å; Y17-R19 PolarHBondContact O-N 2.67Å; Y17-Q20 HydrophobicContact CD1-CG 4.26Å; Y17-Q20 VanDerWaalsContact CD1-NE2 3.25Å; Y17-Q20 HydrophobicContact CG-CG 4.31Å; Y17-Q20 WeakPolarHBondContact O-CG 3.47Å; Y17-Q20 PolarHBondContact O-N 3.45Å; Y17-I21 WeakPolarHBondContact O-CB 3.31Å; Y17-I21 VanDerWaalsContact O-CG1 3.24Å; Y17-I21 WeakPolarHBondContact O-CG1 3.05Å; Y17-I21 PolarHBondContact O-N 3.33Å; Y17-Q29 HydrophobicContact CD2-CG 4.3Å; Y17-G57 WeakPolarHBondContact OH-CA 3.33Å; Y17-N101 PolarHBondContact OH-ND2 3.12Å; Y17-M103 HydrophobicContact CE2-SD 4.1Å
18D95.1Very high91.5Very high46 Ų4675.4 Ų75.425%0.24639%0.389CS..Hα-helixtrans-50.2-47.3-177.317280.2000112.3A14 A15 R22A14-D18 WeakPolarHBondContact O-CA 3.3Å; A14-D18 PolarHBondContact O-N 3.36Å; A14-D18 VanDerWaalsContact O-N 3.13Å; A15-D18 PolarHBondContact O-N 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.46Å; D18-R22 PolarHBondContact O-N 2.83Å; D18-R22 IonicContact OD1-CZ 3.86Å; D18-R22 VanDerWaalsContact OD1-CZ 3.27Å; D18-R22 IonicContact OD1-NE 3.58Å; D18-R22 PolarHBondContact OD1-NE 3.45Å; D18-R22 IonicContact OD1-NH2 2.6Å; D18-R22 PolarHBondContact OD1-NH2 3.05Å; D18-R22 IonicContact OD2-CZ 2.8Å; D18-R22 IonicContact OD2-NE 2.62Å; D18-R22 PolarHBondContact OD2-NE 3.14Å; D18-R22 IonicContact OD2-NH2 3.38Å
19R95.3Very high92.2Very high193 Ų19369.3 Ų69.373%0.72835%0.352SS*.Hα-helixtrans-67.2-40.4-177-66.7-61.8-172.4-120.17.6113.3Y17 L23Y17-R19 VanDerWaalsContact C-N 3.28Å; Y17-R19 PolarHBondContact O-N 2.67Å; R19-L23 PolarHBondContact O-N 2.92Å
20Q92.6Very high92.6Very high37 Ų3770.7 Ų70.717%0.17336%0.357CS..Hα-helixtrans-78-34.417963.8-17167.300112Y17 R22 L23 W24 A56Y17-Q20 HydrophobicContact CD1-CG 4.26Å; Y17-Q20 VanDerWaalsContact CD1-NE2 3.25Å; Y17-Q20 HydrophobicContact CG-CG 4.31Å; Y17-Q20 WeakPolarHBondContact O-CG 3.47Å; Y17-Q20 PolarHBondContact O-N 3.45Å; Q20-R22 VanDerWaalsContact C-N 3.27Å; Q20-R22 PolarHBondContact O-N 3.13Å; Q20-L23 WeakPolarHBondContact O-CB 3.42Å; Q20-L23 PolarHBondContact O-N 3.18Å; Q20-W24 HydrophobicContact CB-CD2 4.44Å; Q20-W24 HydrophobicContact CB-CH2 4Å; Q20-W24 HydrophobicContact CB-CZ2 3.56Å; Q20-W24 HydrophobicContact CG-CZ2 3.88Å; Q20-W24 VanDerWaalsContact O-CD1 3.23Å; Q20-W24 PolarHBondContact O-N 2.69Å; Q20-W24 PolarHBondContact O-NE1 3.34Å; Q20-A56 PolarHBondContact NE2-O 3.5Å
21I93.2Very high92.9Very high32 Ų3272.1 Ų72.116%0.16435%0.354CS..Hα-helixtrans-60.9-38.2171.5-70.8167.8000110.4Y17 L23 G25 L26 Q29Y17-I21 WeakPolarHBondContact O-CB 3.31Å; Y17-I21 VanDerWaalsContact O-CG1 3.24Å; Y17-I21 WeakPolarHBondContact O-CG1 3.05Å; Y17-I21 PolarHBondContact O-N 3.33Å; I21-L23 PolarHBondContact O-N 2.61Å; I21-G25 WeakPolarHBondContact O-CA 3.49Å; I21-G25 PolarHBondContact O-N 3.35Å; I21-L26 HydrophobicContact CD1-CD1 4.04Å; I21-L26 HydrophobicContact CG2-CB 4.34Å; I21-L26 HydrophobicContact CG2-CD1 4.32Å; I21-Q29 HydrophobicContact CD1-CG 4.31Å; I21-Q29 HydrophobicContact CG1-CB 3.94Å; I21-Q29 HydrophobicContact CG1-CG 3.96Å
22R92.4Very high93.2Very high174 Ų17463.7 Ų63.766%0.65732%0.315SS*.Hα-helixtrans-64.7-27.1173.6-72.3169.1-168.7-75.4-9.3113.5D18 Q20D18-R22 WeakPolarHBondContact O-CG 3.46Å; D18-R22 PolarHBondContact O-N 2.83Å; D18-R22 IonicContact OD1-CZ 3.86Å; D18-R22 VanDerWaalsContact OD1-CZ 3.27Å; D18-R22 IonicContact OD1-NE 3.58Å; D18-R22 PolarHBondContact OD1-NE 3.45Å; D18-R22 IonicContact OD1-NH2 2.6Å; D18-R22 PolarHBondContact OD1-NH2 3.05Å; D18-R22 IonicContact OD2-CZ 2.8Å; D18-R22 IonicContact OD2-NE 2.62Å; D18-R22 PolarHBondContact OD2-NE 3.14Å; D18-R22 IonicContact OD2-NH2 3.38Å; Q20-R22 VanDerWaalsContact C-N 3.27Å; Q20-R22 PolarHBondContact O-N 3.13Å
23L91.9Very high93.4Very high123 Ų12359.5 Ų59.564%0.64429%0.293SS*.Hα-helixtrans-82.1-51.5-179.5-178.565.6000111.8R19 Q20 I21 R320R19-L23 PolarHBondContact O-N 2.92Å; Q20-L23 WeakPolarHBondContact O-CB 3.42Å; Q20-L23 PolarHBondContact O-N 3.18Å; I21-L23 PolarHBondContact O-N 2.61Å; L23-R320 PolarHBondContact O-NH2 2.67Å
24W89.8Confident93.7Very high24 Ų2460.3 Ų60.39%0.09131%0.305CS..Hα-helixtrans-113.7-4.2-171.555.450.4000115.3Q20 A28 L32 A56 V314 R320Q20-W24 HydrophobicContact CB-CD2 4.44Å; Q20-W24 HydrophobicContact CB-CH2 4Å; Q20-W24 HydrophobicContact CB-CZ2 3.56Å; Q20-W24 HydrophobicContact CG-CZ2 3.88Å; Q20-W24 VanDerWaalsContact O-CD1 3.23Å; Q20-W24 PolarHBondContact O-N 2.69Å; Q20-W24 PolarHBondContact O-NE1 3.34Å; W24-A28 HydrophobicContact CB-CB 4.13Å; W24-A28 HydrophobicContact CG-CB 4.18Å; W24-A28 WeakPolarHBondContact O-CB 3.18Å; W24-L32 HydrophobicContact CZ2-CD2 4.21Å; W24-A56 HydrophobicContact CH2-CB 4.49Å; W24-V314 HydrophobicContact CE3-CG1 4.22Å; W24-V314 HydrophobicContact CH2-CG1 3.83Å; W24-V314 HydrophobicContact CZ2-CG1 4.35Å; W24-V314 HydrophobicContact CZ3-CG1 3.76Å; W24-R320 WeakPolarHBondContact O-CD 3.24Å; W24-R320 PolarHBondContact O-NE 3.18Å
25G92.1Very high94.1Very high28 Ų2858.9 Ų58.929%0.28929%0.292SS..  trans86.7159177.200000114.2I21 D27 A28 Q29I21-G25 WeakPolarHBondContact O-CA 3.49Å; I21-G25 PolarHBondContact O-N 3.35Å; G25-D27 PolarHBondContact O-N 2.72Å; G25-A28 PolarHBondContact O-N 3.29Å; G25-Q29 PolarHBondContact O-N 3.15Å
26L92.3Very high94.4Very high79 Ų7960.1 Ų60.141%0.41428%0.281SS..Hα-helixtrans-63.7-41.2-175.4-171.967.4000112.7I9 I21 A28 Q29 K30I9-L26 HydrophobicContact CD1-CD1 3.54Å; I9-L26 HydrophobicContact CD1-CG 4.38Å; I21-L26 HydrophobicContact CD1-CD1 4.04Å; I21-L26 HydrophobicContact CG2-CB 4.34Å; I21-L26 HydrophobicContact CG2-CD1 4.32Å; L26-A28 VanDerWaalsContact C-N 3.31Å; L26-A28 PolarHBondContact O-N 2.81Å; L26-Q29 WeakPolarHBondContact O-CB 3.11Å; L26-Q29 PolarHBondContact O-N 3.16Å; L26-Q29 VanDerWaalsContact O-N 3.15Å; L26-K30 WeakPolarHBondContact O-CG 3.45Å; L26-K30 PolarHBondContact O-N 3.15Å
27D91.9Very high94.6Very high102 Ų10256 Ų5655%0.54526%0.261SS..Hα-helixtrans-66.9-34.1-178.1-63.4-24.4000112.5G25 K30 R31G25-D27 PolarHBondContact O-N 2.72Å; D27-K30 PolarHBondContact O-N 3.37Å; D27-R31 PolarHBondContact O-N 3.34Å; D27-R31 VanDerWaalsContact O-N 3.11Å; D27-R31 PolarHBondContact O-NH1 2.87Å
28A94.3Very high94.8Very high2 Ų255.8 Ų55.82%0.01726%0.261CS..Hα-helixtrans-64.4-43.9172.700000110.6W24 G25 L26 K30 R31 L32 R320W24-A28 HydrophobicContact CB-CB 4.13Å; W24-A28 HydrophobicContact CG-CB 4.18Å; W24-A28 WeakPolarHBondContact O-CB 3.18Å; G25-A28 PolarHBondContact O-N 3.29Å; L26-A28 VanDerWaalsContact C-N 3.31Å; L26-A28 PolarHBondContact O-N 2.81Å; A28-K30 PolarHBondContact O-N 3.34Å; A28-R31 PolarHBondContact O-N 2.91Å; A28-L32 PolarHBondContact O-N 3.49Å; A28-R320 HydrophobicContact CB-CB 4.43Å
29Q96.3Very high95Very high0 Ų053.6 Ų53.60%025%0.249CC..Hα-helixtrans-62.3-41.8175.9-169.861.532.600112.2I9 Y17 I21 G25 L26 L32 R33 A56I9-Q29 HydrophobicContact CD1-CB 3.97Å; I9-Q29 HydrophobicContact CD1-CG 3.75Å; Y17-Q29 HydrophobicContact CD2-CG 4.3Å; I21-Q29 HydrophobicContact CD1-CG 4.31Å; I21-Q29 HydrophobicContact CG1-CB 3.94Å; I21-Q29 HydrophobicContact CG1-CG 3.96Å; G25-Q29 PolarHBondContact O-N 3.15Å; L26-Q29 WeakPolarHBondContact O-CB 3.11Å; L26-Q29 PolarHBondContact O-N 3.16Å; L26-Q29 VanDerWaalsContact O-N 3.15Å; Q29-L32 PolarHBondContact O-N 3.19Å; Q29-R33 WeakPolarHBondContact O-CB 3.04Å; Q29-R33 PolarHBondContact O-N 3.36Å; Q29-A56 PolarHBondContact NE2-O 3.48Å
30K95.1Very high95.2Very high54 Ų5444.4 Ų44.424%0.23521%0.214CC..Hα-helixtrans-59-48.2175.8-75.9-176.9175-179.50111.9P7 I9 L26 D27 A28 L32 R33 G34P7-K30 HydrophobicContact CG-CB 4.06Å; P7-K30 WeakPolarHBondContact CG-O 3.2Å; P7-K30 WeakPolarHBondContact O-CD 3.35Å; P7-K30 WeakPolarHBondContact O-CG 3.49Å; I9-K30 HydrophobicContact CD1-CG 3.69Å; I9-K30 HydrophobicContact CG1-CG 4.09Å; L26-K30 WeakPolarHBondContact O-CG 3.45Å; L26-K30 PolarHBondContact O-N 3.15Å; D27-K30 PolarHBondContact O-N 3.37Å; A28-K30 PolarHBondContact O-N 3.34Å; K30-L32 VanDerWaalsContact C-N 3.31Å; K30-L32 PolarHBondContact O-N 3.08Å; K30-R33 PolarHBondContact O-N 3.09Å; K30-G34 PolarHBondContact O-N 2.96Å; K30-G34 VanDerWaalsContact O-N 3.07Å
31R96.3Very high95.4Very high83 Ų8343.4 Ų43.431%0.31321%0.213SC..Hα-helixtrans-60.1-42.4177-74.3-171.4-67.9-81.81.9112D27 A28 G34 S35 S318D27-R31 PolarHBondContact O-N 3.34Å; D27-R31 VanDerWaalsContact O-N 3.11Å; D27-R31 PolarHBondContact O-NH1 2.87Å; A28-R31 PolarHBondContact O-N 2.91Å; R31-G34 PolarHBondContact O-N 2.88Å; R31-S35 PolarHBondContact O-N 3.39Å; R31-S35 PolarHBondContact O-OG 2.96Å; R31-S318 PolarHBondContact NE-O 2.85Å; R31-S318 PolarHBondContact NH2-O 2.74Å
32L95.5Very high95.5Very high0 Ų041.9 Ų41.90%021%0.206CC..Hα-helixtrans-62.1-46.7176.7-170.465.7000111.5W24 A28 Q29 K30 G34 S35 A56 V58 K59 V314 L317W24-L32 HydrophobicContact CZ2-CD2 4.21Å; A28-L32 PolarHBondContact O-N 3.49Å; Q29-L32 PolarHBondContact O-N 3.19Å; K30-L32 VanDerWaalsContact C-N 3.31Å; K30-L32 PolarHBondContact O-N 3.08Å; L32-G34 PolarHBondContact O-N 3.21Å; L32-S35 WeakPolarHBondContact O-CB 3.41Å; L32-S35 PolarHBondContact O-N 3Å; L32-A56 HydrophobicContact CD2-CB 3.85Å; L32-A56 WeakPolarHBondContact CD2-O 3.31Å; L32-V58 HydrophobicContact CD1-CG1 3.72Å; L32-V58 HydrophobicContact CG-CG1 4.15Å; L32-V58 WeakPolarHBondContact O-CA 3.39Å; L32-K59 PolarHBondContact O-N 3.35Å; L32-V314 HydrophobicContact CD1-CG2 4.33Å; L32-V314 HydrophobicContact CD2-CG1 4.23Å; L32-V314 HydrophobicContact CD2-CG2 4.42Å; L32-L317 HydrophobicContact CD1-CB 4.01Å; L32-L317 HydrophobicContact CD1-CD1 4.08Å
33R95.2Very high95.7Very high55 Ų5534 Ų3421%0.20818%0.179CC..Hα-helixtrans-61.9-22.3177.4-174.857.4176.1121.3-4.1113.9E13 Q29 K30 G57 K59 M103E13-R33 IonicContact OE1-CZ 3.96Å; E13-R33 VanDerWaalsContact OE1-CZ 3.28Å; E13-R33 IonicContact OE1-NE 3.56Å; E13-R33 PolarHBondContact OE1-NE 2.63Å; E13-R33 IonicContact OE1-NH2 3.9Å; E13-R33 PolarHBondContact OE1-NH2 2.87Å; Q29-R33 WeakPolarHBondContact O-CB 3.04Å; Q29-R33 PolarHBondContact O-N 3.36Å; K30-R33 PolarHBondContact O-N 3.09Å; R33-G57 WeakPolarHBondContact CA-O 3.48Å; R33-K59 VanDerWaalsContact O-CA 3.27Å; R33-K59 WeakPolarHBondContact O-CA 3.37Å; R33-K59 WeakPolarHBondContact O-CB 3.5Å; R33-K59 PolarHBondContact O-N 2.93Å; R33-M103 PolarHBondContact NH1-O 2.95Å; R33-M103 PolarHBondContact NH2-O 3.4Å; R33-M103 VanDerWaalsContact NH2-O 3.09Å
34G96.6Very high96Very high29 Ų2928.6 Ų28.630%0.29915%0.153SC..THydrogen-bonded Turntrans-88.9-3.5173.900000115.2K30 R31 L32K30-G34 PolarHBondContact O-N 2.96Å; K30-G34 VanDerWaalsContact O-N 3.07Å; R31-G34 PolarHBondContact O-N 2.88Å; L32-G34 PolarHBondContact O-N 3.21Å
35S98.4Very high96.4Very high10 Ų1027.6 Ų27.67%0.0715%0.149CC..  trans-102.1135-170.6-61.60000113.2R31 L32 K59 D125R31-S35 PolarHBondContact O-N 3.39Å; R31-S35 PolarHBondContact O-OG 2.96Å; L32-S35 WeakPolarHBondContact O-CB 3.41Å; L32-S35 PolarHBondContact O-N 3Å; S35-K59 WeakPolarHBondContact O-CA 3.46Å; S35-K59 WeakPolarHBondContact O-CB 3.39Å; S35-K59 PolarHBondContact O-N 3.18Å; S35-D125 WeakPolarHBondContact CA-OD2 3.35Å
36R98.8Very high96.7Very high101 Ų10126.3 Ų26.338%0.38114%0.136SC..EExtended strand (participates in β ladder)trans-104.1137.6172.9-67-176.1-66.1-165.33.6111.3K59 G60 Q123 F124 D125 A126R36-K59 HydrophobicContact CG-CB 4.08Å; R36-K59 HydrophobicContact CG-CD 4.06Å; R36-K59 HydrophobicContact CG-CG 4.29Å; R36-G60 WeakPolarHBondContact CA-O 3.36Å; R36-Q123 PolarHBondContact NE-O 3.34Å; R36-Q123 PolarHBondContact NH2-O 3.05Å; R36-F124 HydrophobicContact CB-CD1 4.23Å; R36-D125 PolarHBondContact N-OD2 3.21Å; R36-D125 PolarHBondContact O-N 3.01Å; R36-A126 PolarHBondContact O-N 3.48Å
37V98.9Very high97Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-121.8136.2-177.8-1730000110.8L53 V58 G60 L61 T62 A126 L317V37-L53 HydrophobicContact CB-CD1 4.42Å; V37-L53 HydrophobicContact CG1-CD1 3.89Å; V37-V58 HydrophobicContact CG2-CG1 4.15Å; V37-G60 PolarHBondContact N-O 3.49Å; V37-L61 HydrophobicContact CB-CD1 3.89Å; V37-L61 HydrophobicContact CG1-CD1 4.05Å; V37-L61 WeakPolarHBondContact O-CA 3.25Å; V37-T62 PolarHBondContact O-N 2.86Å; V37-A126 WeakPolarHBondContact CA-O 3.26Å; V37-A126 HydrophobicContact CG1-CB 4.39Å; V37-A126 HydrophobicContact CG2-CB 4.41Å; V37-L317 HydrophobicContact CG2-CD1 3.66Å
38L98.9Very high97.3Very high0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-95.6133.1164176.464.2000109.1T62 L64 F120 F121 F124 A126 V127 C128L38-T62 HydrophobicContact CD1-CG2 3.98Å; L38-L64 HydrophobicContact CD1-CB 3.89Å; L38-L64 HydrophobicContact CD1-CD1 4.16Å; L38-F120 HydrophobicContact CD1-CE1 3.96Å; L38-F120 HydrophobicContact CD1-CZ 4.08Å; L38-F120 HydrophobicContact CD2-CD1 4.36Å; L38-F120 HydrophobicContact CD2-CE1 3.67Å; L38-F120 HydrophobicContact CG-CE1 4.49Å; L38-F121 HydrophobicContact CD2-CD1 3.68Å; L38-F121 HydrophobicContact CD2-CE1 3.82Å; L38-F124 HydrophobicContact CB-CB 4.44Å; L38-F124 HydrophobicContact CB-CD1 3.87Å; L38-F124 HydrophobicContact CB-CD2 3.64Å; L38-F124 HydrophobicContact CB-CE1 3.97Å; L38-F124 HydrophobicContact CB-CE2 3.73Å; L38-F124 HydrophobicContact CB-CG 3.71Å; L38-F124 HydrophobicContact CB-CZ 3.9Å; L38-F124 HydrophobicContact CD1-CE2 4.09Å; L38-F124 HydrophobicContact CD1-CZ 3.97Å; L38-F124 HydrophobicContact CD2-CD2 4.13Å; L38-F124 HydrophobicContact CD2-CE2 3.92Å; L38-F124 HydrophobicContact CG-CD2 4.4Å; L38-F124 HydrophobicContact CG-CE2 4.13Å; L38-F124 HydrophobicContact CG-CZ 4.37Å; L38-A126 PolarHBondContact N-O 3.33Å; L38-V127 HydrophobicContact CB-CG1 4.44Å; L38-V127 HydrophobicContact CB-CG2 4.25Å; L38-V127 HydrophobicContact CD2-CG1 3.94Å; L38-V127 HydrophobicContact CD2-CG2 4.3Å; L38-V127 HydrophobicContact CG-CG1 4.4Å; L38-C128 PolarHBondContact O-N 2.95Å
39L98.9Very high97.5Very high0 Ų019 Ų190%010%0.096CC..EExtended strand (participates in β ladder)trans-120.8109169.2171.357.5000109G46 L49 A50 L61 T62 L63 L64 C128 T130L39-G46 VanDerWaalsContact CD2-O 3.28Å; L39-G46 WeakPolarHBondContact CD2-O 3.32Å; L39-L49 HydrophobicContact CD1-CD2 3.72Å; L39-L49 HydrophobicContact CD1-CG 4.46Å; L39-A50 HydrophobicContact CD2-CB 3.81Å; L39-L61 HydrophobicContact CB-CD1 4Å; L39-T62 PolarHBondContact N-O 3.1Å; L39-L63 HydrophobicContact CD2-CD2 4Å; L39-L64 PolarHBondContact O-N 2.97Å; L39-C128 WeakPolarHBondContact CA-O 3.41Å; L39-C128 HydrophobicContact CD1-CB 3.96Å; L39-T130 HydrophobicContact CD1-CG2 4.21Å
40A98.8Very high97.7Very high0 Ų019 Ų190%010%0.096CC..EExtended strand (participates in β ladder)trans-94.8128172.800000110.4L64 V113 C128 L129 T130A40-L64 CarbonylContact C-O 3.53Å; A40-L64 VanDerWaalsContact CA-O 3.32Å; A40-L64 WeakPolarHBondContact CA-O 3.35Å; A40-L64 HydrophobicContact CB-CD2 4.45Å; A40-V113 HydrophobicContact CB-CB 4.31Å; A40-V113 HydrophobicContact CB-CG2 4.04Å; A40-C128 PolarHBondContact N-O 3.42Å; A40-L129 HydrophobicContact CB-CD2 3.81Å; A40-T130 PolarHBondContact O-N 2.79Å; A40-T130 PolarHBondContact O-OG1 3.5Å; A40-T130 VanDerWaalsContact O-OG1 3.06Å
41G97.9Very high97.8Very high15 Ų1518.8 Ų18.816%0.15510%0.095CC..  trans85.1118.3-171.800000111.6L64 T130G41-L64 PolarHBondContact N-O 3.02Å; G41-T130 VanDerWaalsContact C-OG1 3.32Å; G41-T130 WeakPolarHBondContact CA-OG1 3.37Å; G41-T130 PolarHBondContact O-OG1 3.19Å
42V96Very high98Very high0 Ų016.8 Ų16.80%09%0.09CC..  trans-121.437.2-174.4-169.40000110.1L63 D65 Q77 R89V42-L63 HydrophobicContact CG2-CB 4.02Å; V42-L63 HydrophobicContact CG2-CD2 4.45Å; V42-D65 HydrophobicContact CB-CB 4.1Å; V42-D65 HydrophobicContact CG2-CB 3.86Å; V42-D65 PolarHBondContact N-OD2 2.72Å; V42-Q77 PolarHBondContact O-NE2 2.68Å; V42-R89 HydrophobicContact CB-CG 4.42Å; V42-R89 WeakPolarHBondContact O-CD 3.29Å
43G96.1Very high98.1Very high10 Ų1016.8 Ų16.810%0.1039%0.09CC..SBendtrans-65.4-160.3169.600000113G46 A47 Q77G43-G46 PolarHBondContact O-N 3.29Å; G43-A47 WeakPolarHBondContact O-CB 3.45Å; G43-A47 PolarHBondContact O-N 3.18Å; G43-Q77 WeakPolarHBondContact O-CG 3.28Å
44G97.4Very high98.3Very high9 Ų914.1 Ų14.19%0.0938%0.08CC..Hα-helixtrans-62.4-47179.800000112.2A47 E48 E297G44-A47 PolarHBondContact O-N 2.95Å; G44-E48 PolarHBondContact O-N 3.5Å; G44-E297 WeakPolarHBondContact CA-OE2 3.28Å; G44-E297 PolarHBondContact N-OE2 2.86Å
45L98.4Very high98.4Very high3 Ų316.5 Ų16.52%0.0169%0.086CC..Hα-helixtrans-62.2-45.4174176.661.8000112.2A47 E48 L49 T130 G154 V156 E297 V305 G306L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.11Å; L45-E48 PolarHBondContact O-N 3.38Å; L45-L49 PolarHBondContact O-N 3.42Å; L45-T130 HydrophobicContact CD2-CG2 4.02Å; L45-T130 HydrophobicContact CG-CG2 4.28Å; L45-G154 VanDerWaalsContact CD2-C 3.43Å; L45-G154 WeakPolarHBondContact CD2-O 3.28Å; L45-V156 HydrophobicContact CB-CG2 4.28Å; L45-V156 HydrophobicContact CD1-CG2 4.43Å; L45-V156 HydrophobicContact CD2-CG2 4.4Å; L45-E297 PolarHBondContact N-OE2 2.81Å; L45-V305 HydrophobicContact CD1-CB 4Å; L45-V305 HydrophobicContact CD1-CG1 3.86Å; L45-V305 HydrophobicContact CD2-CG1 4.33Å; L45-G306 VanDerWaalsContact CD1-CA 3.48Å; L45-G306 VanDerWaalsContact CD1-N 3.3Å
46G98.6Very high98.4Very high0 Ų016.4 Ų16.40%09%0.085CC..Hα-helixtrans-59-40.6178.700000112.1L39 G43 L49 A50L39-G46 VanDerWaalsContact CD2-O 3.28Å; L39-G46 WeakPolarHBondContact CD2-O 3.32Å; G43-G46 PolarHBondContact O-N 3.29Å; G46-L49 PolarHBondContact O-N 2.93Å; G46-A50 VanDerWaalsContact O-CB 3.31Å; G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 3.46Å
47A98.6Very high98.3Very high0 Ų011.6 Ų11.60%07%0.067CC..Hα-helixtrans-62.3-44.1176.500000113.1G43 G44 L45 A50 K51 Q77 F78 L79G43-A47 WeakPolarHBondContact O-CB 3.45Å; G43-A47 PolarHBondContact O-N 3.18Å; G44-A47 PolarHBondContact O-N 2.95Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.11Å; A47-A50 PolarHBondContact O-N 3.21Å; A47-K51 WeakPolarHBondContact O-CB 3.37Å; A47-K51 PolarHBondContact O-N 2.69Å; A47-Q77 HydrophobicContact CB-CG 3.77Å; A47-F78 HydrophobicContact CB-CD1 4.28Å; A47-F78 HydrophobicContact CB-CE1 3.83Å; A47-F78 HydrophobicContact CB-CZ 4.13Å; A47-F78 WeakPolarHBondContact O-CZ 3.38Å; A47-L79 HydrophobicContact CB-CD1 4.03Å; A47-L79 HydrophobicContact CB-CG 4.22Å
48E98.8Very high98.3Very high31 Ų3111.6 Ų11.615%0.1457%0.067CC..Hα-helixtrans-63.4-44.6177-75.3-69.9172.600111.6G44 L45 K51 N52 F78 C302 A303G44-E48 PolarHBondContact O-N 3.5Å; L45-E48 PolarHBondContact O-N 3.38Å; E48-K51 PolarHBondContact O-N 3.12Å; E48-K51 IonicContact OE2-NZ 3.87Å; E48-K51 PolarHBondContact OE2-NZ 2.92Å; E48-N52 VanDerWaalsContact O-CG 3.23Å; E48-N52 PolarHBondContact O-N 3.07Å; E48-N52 PolarHBondContact O-ND2 3.47Å; E48-F78 HydrophobicContact CG-CE1 4.11Å; E48-C302 HydrophobicContact CG-CB 4.23Å; E48-A303 HydrophobicContact CG-CB 4.48Å
49L98.8Very high98.3Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-61.9-48.3175.4178.556.5000111.4L39 L45 G46 K51 N52 L53 C128 L309 G310 V313L39-L49 HydrophobicContact CD1-CD2 3.72Å; L39-L49 HydrophobicContact CD1-CG 4.46Å; L45-L49 PolarHBondContact O-N 3.42Å; G46-L49 PolarHBondContact O-N 2.93Å; L49-K51 PolarHBondContact O-N 2.94Å; L49-N52 PolarHBondContact O-N 3.16Å; L49-L53 HydrophobicContact CD1-CD1 3.83Å; L49-L53 HydrophobicContact CD1-CD2 4.37Å; L49-L53 HydrophobicContact CD1-CG 3.9Å; L49-L53 HydrophobicContact CG-CD1 4Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 WeakPolarHBondContact O-CG 3.25Å; L49-L53 PolarHBondContact O-N 3.29Å; L49-C128 HydrophobicContact CD2-CB 3.72Å; L49-L309 HydrophobicContact CD1-CG 4.18Å; L49-L309 HydrophobicContact CD2-CD2 3.81Å; L49-L309 HydrophobicContact CD2-CG 4.08Å; L49-G310 VanDerWaalsContact CD1-CA 3.43Å; L49-V313 HydrophobicContact CD1-CG2 4.5Å
50A98.9Very high98.3Very high0 Ų015.7 Ų15.70%09%0.086CC..Hα-helixtrans-56-50177.700000111.3L39 G46 A47 N52 L53 I54 L61 L63 L79L39-A50 HydrophobicContact CD2-CB 3.81Å; G46-A50 VanDerWaalsContact O-CB 3.31Å; G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 3.46Å; A47-A50 PolarHBondContact O-N 3.21Å; A50-N52 VanDerWaalsContact C-N 3.34Å; A50-N52 PolarHBondContact O-N 3.13Å; A50-L53 PolarHBondContact O-N 3.15Å; A50-I54 HydrophobicContact CB-CD1 4.4Å; A50-I54 WeakPolarHBondContact O-CB 3.49Å; A50-I54 WeakPolarHBondContact O-CD1 3.17Å; A50-I54 WeakPolarHBondContact O-CG1 3.32Å; A50-I54 PolarHBondContact O-N 2.98Å; A50-L61 HydrophobicContact CB-CD2 3.78Å; A50-L63 HydrophobicContact CB-CD2 3.92Å; A50-L79 HydrophobicContact CB-CD1 4.04Å
51K98.9Very high98.3Very high49 Ų4915.7 Ų15.721%0.2139%0.086CC..Hα-helixtrans-56.8-46.7177.1176.8-14068.8-169.80111.6A47 E48 L49 L53 L55 F78 L100A47-K51 WeakPolarHBondContact O-CB 3.37Å; A47-K51 PolarHBondContact O-N 2.69Å; E48-K51 PolarHBondContact O-N 3.12Å; E48-K51 IonicContact OE2-NZ 3.87Å; E48-K51 PolarHBondContact OE2-NZ 2.92Å; L49-K51 PolarHBondContact O-N 2.94Å; K51-L53 PolarHBondContact O-N 2.71Å; K51-L55 HydrophobicContact CD-CD1 4.37Å; K51-L55 HydrophobicContact CG-CD1 3.87Å; K51-L55 WeakPolarHBondContact O-CB 3.19Å; K51-L55 VanDerWaalsContact O-CG 3.25Å; K51-L55 WeakPolarHBondContact O-CG 3.27Å; K51-L55 PolarHBondContact O-N 3.41Å; K51-F78 HydrophobicContact CB-CE2 3.98Å; K51-F78 HydrophobicContact CB-CZ 3.62Å; K51-F78 HydrophobicContact CD-CE2 4.3Å; K51-F78 HydrophobicContact CD-CZ 3.9Å; K51-F78 HydrophobicContact CG-CE2 4.17Å; K51-F78 HydrophobicContact CG-CZ 4.04Å; K51-L100 HydrophobicContact CB-CD1 3.85Å; K51-L100 HydrophobicContact CG-CD1 3.79Å
52N98.8Very high98.3Very high40 Ų4015.9 Ų15.921%0.2149%0.085CC..Hα-helixtrans-62.8-43.1179.5-69.7-26.8000112E48 L49 A50 A56 G306 G307E48-N52 VanDerWaalsContact O-CG 3.23Å; E48-N52 PolarHBondContact O-N 3.07Å; E48-N52 PolarHBondContact O-ND2 3.47Å; L49-N52 PolarHBondContact O-N 3.16Å; A50-N52 VanDerWaalsContact C-N 3.34Å; A50-N52 PolarHBondContact O-N 3.13Å; N52-A56 WeakPolarHBondContact O-CB 3.48Å; N52-A56 PolarHBondContact O-N 3.3Å; N52-G306 PolarHBondContact ND2-O 2.9Å; N52-G307 WeakPolarHBondContact ND2-CA 3.48Å
53L98.9Very high98.5Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-71-39.9-179.5-64.2178.2000112.9V37 L49 A50 K51 A56 G57 V58 L61 V313 V314V37-L53 HydrophobicContact CB-CD1 4.42Å; V37-L53 HydrophobicContact CG1-CD1 3.89Å; L49-L53 HydrophobicContact CD1-CD1 3.83Å; L49-L53 HydrophobicContact CD1-CD2 4.37Å; L49-L53 HydrophobicContact CD1-CG 3.9Å; L49-L53 HydrophobicContact CG-CD1 4Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 WeakPolarHBondContact O-CG 3.25Å; L49-L53 PolarHBondContact O-N 3.29Å; A50-L53 PolarHBondContact O-N 3.15Å; K51-L53 PolarHBondContact O-N 2.71Å; L53-A56 PolarHBondContact O-N 3.37Å; L53-G57 PolarHBondContact O-N 3.45Å; L53-V58 HydrophobicContact CB-CG1 4.43Å; L53-V58 PolarHBondContact O-N 3.48Å; L53-L61 HydrophobicContact CD1-CD1 4.07Å; L53-V313 HydrophobicContact CD1-CG1 4.34Å; L53-V313 HydrophobicContact CD2-CB 3.87Å; L53-V313 HydrophobicContact CD2-CG1 3.53Å; L53-V314 HydrophobicContact CD2-CG2 4.36Å
54I98.8Very high98.6Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-64.8-46.8176.8-67.3162.7000109.9A50 A56 G57 L61 A97 L100 N101 V104 V106A50-I54 HydrophobicContact CB-CD1 4.4Å; A50-I54 WeakPolarHBondContact O-CB 3.49Å; A50-I54 WeakPolarHBondContact O-CD1 3.17Å; A50-I54 WeakPolarHBondContact O-CG1 3.32Å; A50-I54 PolarHBondContact O-N 2.98Å; I54-A56 VanDerWaalsContact C-N 3.31Å; I54-A56 PolarHBondContact O-N 2.84Å; I54-G57 PolarHBondContact O-N 3.43Å; I54-G57 VanDerWaalsContact O-N 3.14Å; I54-L61 HydrophobicContact CD1-CD2 3.85Å; I54-L61 HydrophobicContact CG1-CB 4.49Å; I54-L61 HydrophobicContact CG1-CD2 3.72Å; I54-A97 HydrophobicContact CD1-CB 3.78Å; I54-L100 HydrophobicContact CD1-CD1 4.44Å; I54-L100 HydrophobicContact CG2-CB 3.74Å; I54-N101 HydrophobicContact CG2-CB 3.49Å; I54-N101 VanDerWaalsContact CG2-CB 3.49Å; I54-N101 WeakPolarHBondContact O-CB 3.14Å; I54-N101 PolarHBondContact O-ND2 3.4Å; I54-V104 HydrophobicContact CG1-CG1 4.44Å; I54-V104 HydrophobicContact CG2-CB 4.32Å; I54-V104 HydrophobicContact CG2-CG2 4.36Å; I54-V104 WeakPolarHBondContact O-CG2 3.42Å; I54-V106 HydrophobicContact CD1-CG2 3.95Å; I54-V106 HydrophobicContact CG1-CG2 4.09Å
55L98.6Very high98.6Very high78 Ų7815.3 Ų15.341%0.4088%0.077SC..Hα-helixtrans-66.8-32.4177.3-69.2175.2000112.4K51 G57 L100K51-L55 HydrophobicContact CD-CD1 4.37Å; K51-L55 HydrophobicContact CG-CD1 3.87Å; K51-L55 WeakPolarHBondContact O-CB 3.19Å; K51-L55 VanDerWaalsContact O-CG 3.25Å; K51-L55 WeakPolarHBondContact O-CG 3.27Å; K51-L55 PolarHBondContact O-N 3.41Å; L55-G57 PolarHBondContact O-N 2.99Å; L55-L100 HydrophobicContact CD2-CB 4.2Å
56A98.2Very high98.6Very high8 Ų818.3 Ų18.37%0.0669%0.091CC..Hα-helixtrans-68.1-21.4174.900000112.8Q20 W24 Q29 L32 N52 L53 I54 V314Q20-A56 PolarHBondContact NE2-O 3.5Å; W24-A56 HydrophobicContact CH2-CB 4.49Å; Q29-A56 PolarHBondContact NE2-O 3.48Å; L32-A56 HydrophobicContact CD2-CB 3.85Å; L32-A56 WeakPolarHBondContact CD2-O 3.31Å; N52-A56 WeakPolarHBondContact O-CB 3.48Å; N52-A56 PolarHBondContact O-N 3.3Å; L53-A56 PolarHBondContact O-N 3.37Å; I54-A56 VanDerWaalsContact C-N 3.31Å; I54-A56 PolarHBondContact O-N 2.84Å; A56-V314 HydrophobicContact CB-CG2 3.84Å
57G97.8Very high98.6Very high0 Ų022.6 Ų22.60%011%0.111CC..THydrogen-bonded Turntrans85.846.6173.500000113.8Y17 R33 L53 I54 L55Y17-G57 WeakPolarHBondContact OH-CA 3.33Å; R33-G57 WeakPolarHBondContact CA-O 3.48Å; L53-G57 PolarHBondContact O-N 3.45Å; I54-G57 PolarHBondContact O-N 3.43Å; I54-G57 VanDerWaalsContact O-N 3.14Å; L55-G57 PolarHBondContact O-N 2.99Å
58V98.4Very high98.5Very high0 Ų029 Ų290%014%0.141CC..  trans-60.2163.4166.3-63.70000111.2L32 V37 L53 L61 V104 L317L32-V58 HydrophobicContact CD1-CG1 3.72Å; L32-V58 HydrophobicContact CG-CG1 4.15Å; L32-V58 WeakPolarHBondContact O-CA 3.39Å; V37-V58 HydrophobicContact CG2-CG1 4.15Å; L53-V58 HydrophobicContact CB-CG1 4.43Å; L53-V58 PolarHBondContact O-N 3.48Å; V58-L61 HydrophobicContact CG2-CB 4.45Å; V58-V104 HydrophobicContact CG2-CG1 3.81Å; V58-V104 WeakPolarHBondContact O-CG2 3.41Å; V58-L317 HydrophobicContact CG1-CD1 4.43Å
59K98.3Very high98.4Very high81 Ų8127.7 Ų27.735%0.35214%0.135SC..SBendtrans-58.4-51.4174.2-171.8174.6172.2174.70111.3L32 R33 S35 R36 E105L32-K59 PolarHBondContact O-N 3.35Å; R33-K59 VanDerWaalsContact O-CA 3.27Å; R33-K59 WeakPolarHBondContact O-CA 3.37Å; R33-K59 WeakPolarHBondContact O-CB 3.5Å; R33-K59 PolarHBondContact O-N 2.93Å; S35-K59 WeakPolarHBondContact O-CA 3.46Å; S35-K59 WeakPolarHBondContact O-CB 3.39Å; S35-K59 PolarHBondContact O-N 3.18Å; R36-K59 HydrophobicContact CG-CB 4.08Å; R36-K59 HydrophobicContact CG-CD 4.06Å; R36-K59 HydrophobicContact CG-CG 4.29Å; K59-E105 PolarHBondContact O-N 2.92Å; K59-E105 VanDerWaalsContact O-N 3.15Å
60G98.6Very high98.1Very high5 Ų530 Ų305%0.05215%0.152CC..EExtended strand (participates in β ladder)trans-161.7153.2-179.100000111.9R36 V37 E105R36-G60 WeakPolarHBondContact CA-O 3.36Å; V37-G60 PolarHBondContact N-O 3.49Å; G60-E105 CarbonylContact C-O 3.48Å; G60-E105 WeakPolarHBondContact CA-O 3.46Å
61L98.9Very high97.7Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-127121.1179.6-179.466.7000109.1V37 L39 A50 L53 I54 V58 L63 E105 V106 H107V37-L61 HydrophobicContact CB-CD1 3.89Å; V37-L61 HydrophobicContact CG1-CD1 4.05Å; V37-L61 WeakPolarHBondContact O-CA 3.25Å; L39-L61 HydrophobicContact CB-CD1 4Å; A50-L61 HydrophobicContact CB-CD2 3.78Å; L53-L61 HydrophobicContact CD1-CD1 4.07Å; I54-L61 HydrophobicContact CD1-CD2 3.85Å; I54-L61 HydrophobicContact CG1-CB 4.49Å; I54-L61 HydrophobicContact CG1-CD2 3.72Å; V58-L61 HydrophobicContact CG2-CB 4.45Å; L61-L63 HydrophobicContact CD2-CD2 3.7Å; L61-L63 HydrophobicContact CG-CD2 3.97Å; L61-E105 PolarHBondContact N-O 3.2Å; L61-V106 WeakPolarHBondContact O-CA 3.28Å; L61-H107 PolarHBondContact O-N 3.22Å
62T98.9Very high97.1Very high19 Ų1937.3 Ų37.312%0.11719%0.186CC..EExtended strand (participates in β ladder)trans-96.6116.4170.2-59.30000109.4V37 L38 L39 H107 D109 F124V37-T62 PolarHBondContact O-N 2.86Å; L38-T62 HydrophobicContact CD1-CG2 3.98Å; L39-T62 PolarHBondContact N-O 3.1Å; T62-H107 HydrophobicContact CG2-CB 4.45Å; T62-D109 HydrophobicContact CG2-CB 4.14Å; T62-F124 HydrophobicContact CG2-CZ 4.34Å; T62-F124 WeakPolarHBondContact OG1-CE1 3.41Å
63L98.9Very high96.5Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-85.8111.7171.8-55.6-178.4000108.2L39 V42 A50 L61 A90 A97 V106 H107 A108 D109L39-L63 HydrophobicContact CD2-CD2 4Å; V42-L63 HydrophobicContact CG2-CB 4.02Å; V42-L63 HydrophobicContact CG2-CD2 4.45Å; A50-L63 HydrophobicContact CB-CD2 3.92Å; L61-L63 HydrophobicContact CD2-CD2 3.7Å; L61-L63 HydrophobicContact CG-CD2 3.97Å; L63-A90 HydrophobicContact CB-CB 4.18Å; L63-A90 WeakPolarHBondContact O-CB 3.36Å; L63-A97 HydrophobicContact CD1-CB 4.12Å; L63-V106 HydrophobicContact CD1-CG1 3.98Å; L63-V106 HydrophobicContact CG-CG1 4.11Å; L63-H107 PolarHBondContact N-O 2.83Å; L63-A108 CarbonylContact O-C 3.59Å; L63-A108 WeakPolarHBondContact O-CA 3.33Å; L63-D109 PolarHBondContact O-N 2.86Å
64L98.9Very high96Very high2 Ų236.6 Ų36.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-112.5114.2178.4-172.6166.7000109.2L38 L39 A40 G41 D109 D111 V113 K116 F120L38-L64 HydrophobicContact CD1-CB 3.89Å; L38-L64 HydrophobicContact CD1-CD1 4.16Å; L39-L64 PolarHBondContact O-N 2.97Å; A40-L64 CarbonylContact C-O 3.53Å; A40-L64 VanDerWaalsContact CA-O 3.32Å; A40-L64 WeakPolarHBondContact CA-O 3.35Å; A40-L64 HydrophobicContact CB-CD2 4.45Å; G41-L64 PolarHBondContact N-O 3.02Å; L64-D109 WeakPolarHBondContact CA-O 3.47Å; L64-D109 HydrophobicContact CB-CB 4.21Å; L64-D109 HydrophobicContact CG-CB 4.15Å; L64-D111 VanDerWaalsContact CD2-O 3.24Å; L64-D111 WeakPolarHBondContact CD2-O 3.33Å; L64-V113 HydrophobicContact CD1-CB 4.44Å; L64-V113 HydrophobicContact CD2-CB 3.66Å; L64-K116 HydrophobicContact CD1-CD 4.42Å; L64-K116 HydrophobicContact CD1-CG 3.98Å; L64-F120 HydrophobicContact CD1-CE1 3.67Å; L64-F120 HydrophobicContact CD1-CZ 3.83Å
65D98.6Very high95.4Very high5 Ų545.9 Ų45.93%0.02722%0.219CC..  trans-154.4125.9175.3-162.2-35000109.2V42 E67 N88 R89 A90 D109V42-D65 HydrophobicContact CB-CB 4.1Å; V42-D65 HydrophobicContact CG2-CB 3.86Å; V42-D65 PolarHBondContact N-OD2 2.72Å; D65-E67 WeakPolarHBondContact OD1-CB 3.09Å; D65-E67 PolarHBondContact OD1-N 2.99Å; D65-N88 PolarHBondContact O-ND2 3.32Å; D65-N88 PolarHBondContact O-OD1 3.3Å; D65-R89 HydrophobicContact CB-CB 4.31Å; D65-R89 IonicContact OD1-NH1 3.29Å; D65-R89 WeakPolarHBondContact OD2-CD 3.4Å; D65-R89 IonicContact OD2-CZ 3.46Å; D65-R89 IonicContact OD2-NE 3.09Å; D65-R89 IonicContact OD2-NH1 2.72Å; D65-R89 PolarHBondContact OD2-NH1 3.1Å; D65-R89 VanDerWaalsContact OD2-NH1 3.1Å; D65-A90 HydrophobicContact CB-CB 3.97Å; D65-D109 PolarHBondContact N-O 3.45Å; D65-D109 VanDerWaalsContact N-O 3.11Å
66H98Very high94.8Very high66 Ų6643.7 Ų43.731%0.30621%0.213SC..  trans-90.4-13.818070.3-77.2000113.3P110 R112H66-P110 VanDerWaalsContact CA-O 3.32Å; H66-P110 WeakPolarHBondContact CA-O 3.37Å; H66-R112 HydrophobicContact CB-CB 4.3Å; H66-R112 HydrophobicContact CB-CG 3.67Å
67E97Very high94.6Very high90 Ų9043.6 Ų43.642%0.42121%0.211SC..SBendtrans-74.4155-176-62.6-167.5164.400111.7D65 R89D65-E67 WeakPolarHBondContact OD1-CB 3.09Å; D65-E67 PolarHBondContact OD1-N 2.99Å; E67-R89 WeakPolarHBondContact O-CB 3.43Å; E67-R89 PolarHBondContact O-N 2.95Å; E67-R89 IonicContact OE2-CZ 3.99Å; E67-R89 IonicContact OE2-NH1 3.98Å; E67-R89 PolarHBondContact OE2-NH1 2.93Å; E67-R89 IonicContact OE2-NH2 3Å; E67-R89 PolarHBondContact OE2-NH2 2.81Å
68Q97.7Very high94.5Very high135 Ų13547.5 Ų47.563%0.63123%0.228SC*.BIsolated β-bridgetrans-86.1153.2170.9-65.9179.70.400110.5S70 Q87Q68-S70 PolarHBondContact O-N 2.85Å; Q68-Q87 CarbonylContact C-O 3.37Å; Q68-Q87 VanDerWaalsContact CA-O 3.28Å; Q68-Q87 WeakPolarHBondContact CA-O 3.32Å
69V96.9Very high94.5Very high4 Ų447.6 Ų47.62%0.02423%0.228CC..PPolyproline II helixtrans-63.6116.2172.1174.10000109.3C74 V80 A84 G86 Q87 R89 A92V69-C74 WeakPolarHBondContact CG1-SG 3.25Å; V69-V80 HydrophobicContact CB-CG1 4.33Å; V69-V80 HydrophobicContact CG1-CG1 3.57Å; V69-V80 HydrophobicContact CG2-CG1 3.72Å; V69-V80 HydrophobicContact CG2-CG2 4.22Å; V69-A84 WeakPolarHBondContact CB-O 3.42Å; V69-G86 PolarHBondContact O-N 3.1Å; V69-Q87 WeakPolarHBondContact CG2-O 3.49Å; V69-Q87 PolarHBondContact N-O 2.84Å; V69-R89 HydrophobicContact CG2-CB 4.39Å; V69-A92 HydrophobicContact CG2-CB 3.76Å
70S92.3Very high94.4Very high49 Ų4943.8 Ų43.834%0.34321%0.212SC..PPolyproline II helixtrans-86.4169.5171.576.70000111.1Q68 E72 S73 C74Q68-S70 PolarHBondContact O-N 2.85Å; S70-E72 PolarHBondContact O-N 3.26Å; S70-E72 PolarHBondContact OG-N 2.81Å; S70-S73 PolarHBondContact N-OG 3.2Å; S70-S73 WeakPolarHBondContact O-CB 3.38Å; S70-S73 PolarHBondContact O-N 3.45Å; S70-S73 PolarHBondContact OG-N 2.99Å; S70-S73 VanDerWaalsContact OG-N 3.13Å; S70-S73 PolarHBondContact OG-OG 3.22Å; S70-C74 PolarHBondContact O-N 3.37Å; S70-C74 VanDerWaalsContact O-N 3.16Å
71E89.4Confident94.2Very high100 Ų10044.7 Ų44.747%0.46722%0.217SC..THydrogen-bonded Turntrans-59.3-35.7172.8-172.6-174.6170.200112C74 R75E71-C74 PolarHBondContact O-N 3.11Å; E71-R75 IonicContact OE1-CZ 2.97Å; E71-R75 IonicContact OE1-NH1 3.4Å; E71-R75 PolarHBondContact OE1-NH1 3.5Å; E71-R75 IonicContact OE1-NH2 2.74Å; E71-R75 PolarHBondContact OE1-NH2 3.36Å
72E86.8Confident93.9Very high101 Ų10150 Ų5047%0.47225%0.249SC..THydrogen-bonded Turntrans-66.7-44.6175.9-176.4173-173.600110.9S70 C74 R75 A76S70-E72 PolarHBondContact O-N 3.26Å; S70-E72 PolarHBondContact OG-N 2.81Å; E72-C74 VanDerWaalsContact C-N 3.28Å; E72-C74 PolarHBondContact O-N 3.24Å; E72-R75 PolarHBondContact O-N 3.12Å; E72-A76 HydrophobicContact CG-CB 4.43Å; E72-A76 WeakPolarHBondContact O-CB 3.31Å; E72-A76 PolarHBondContact O-N 3.08Å
73S86.4Confident93.7Very high12 Ų1254.1 Ų54.18%0.08428%0.279CS..Hα-helixtrans-56-41.8176-56.60000111.9S70 R75 A76 Q77S70-S73 PolarHBondContact N-OG 3.2Å; S70-S73 WeakPolarHBondContact O-CB 3.38Å; S70-S73 PolarHBondContact O-N 3.45Å; S70-S73 PolarHBondContact OG-N 2.99Å; S70-S73 VanDerWaalsContact OG-N 3.13Å; S70-S73 PolarHBondContact OG-OG 3.22Å; S73-R75 PolarHBondContact O-N 3.16Å; S73-R75 VanDerWaalsContact O-N 3.1Å; S73-A76 PolarHBondContact O-N 3.19Å; S73-Q77 WeakPolarHBondContact O-CB 3.07Å; S73-Q77 PolarHBondContact O-N 3.21Å
74C87.6Confident93.4Very high14 Ų1454.2 Ų54.210%0.09528%0.28CS..Hα-helixtrans-61-19.1177.5-73.50000114.5V69 S70 E71 E72V69-C74 WeakPolarHBondContact CG1-SG 3.25Å; S70-C74 PolarHBondContact O-N 3.37Å; S70-C74 VanDerWaalsContact O-N 3.16Å; E71-C74 PolarHBondContact O-N 3.11Å; E72-C74 VanDerWaalsContact C-N 3.28Å; E72-C74 PolarHBondContact O-N 3.24Å
75R87.1Confident93.3Very high194 Ų19460.3 Ų60.373%0.73231%0.308SS*.Hα-helixtrans-109.9-29.7-177.5-64.2-176.9-179.3142.211113.3E71 E72 S73E71-R75 IonicContact OE1-CZ 2.97Å; E71-R75 IonicContact OE1-NH1 3.4Å; E71-R75 PolarHBondContact OE1-NH1 3.5Å; E71-R75 IonicContact OE1-NH2 2.74Å; E71-R75 PolarHBondContact OE1-NH2 3.36Å; E72-R75 PolarHBondContact O-N 3.12Å; S73-R75 PolarHBondContact O-N 3.16Å; S73-R75 VanDerWaalsContact O-N 3.1Å
76A85.8Confident93.1Very high33 Ų3362 Ų6227%0.27333%0.327SS..Hα-helixtrans-104.2-12.5-17300000113.7E72 S73E72-A76 HydrophobicContact CG-CB 4.43Å; E72-A76 WeakPolarHBondContact O-CB 3.31Å; E72-A76 PolarHBondContact O-N 3.08Å; S73-A76 PolarHBondContact O-N 3.19Å
77Q93.6Very high93.1Very high5 Ų563.8 Ų63.82%0.02334%0.335CS..  trans-119.5111.9-176.5-152.5-79.321.100109.4V42 G43 A47 S73 L79 V80 S93V42-Q77 PolarHBondContact O-NE2 2.68Å; G43-Q77 WeakPolarHBondContact O-CG 3.28Å; A47-Q77 HydrophobicContact CB-CG 3.77Å; S73-Q77 WeakPolarHBondContact O-CB 3.07Å; S73-Q77 PolarHBondContact O-N 3.21Å; Q77-L79 PolarHBondContact O-N 2.77Å; Q77-L79 VanDerWaalsContact OE1-CA 3.29Å; Q77-V80 HydrophobicContact CG-CG2 4.45Å; Q77-V80 PolarHBondContact O-N 2.92Å; Q77-S93 PolarHBondContact NE2-OG 3.17Å
78F96.9Very high93.1Very high82 Ų8260.4 Ų60.436%0.3632%0.32SS..THydrogen-bonded Turntrans-79.3-17-168.464.1-95.7000115.3A47 E48 K51 R96A47-F78 HydrophobicContact CB-CD1 4.28Å; A47-F78 HydrophobicContact CB-CE1 3.83Å; A47-F78 HydrophobicContact CB-CZ 4.13Å; A47-F78 WeakPolarHBondContact O-CZ 3.38Å; E48-F78 HydrophobicContact CG-CE1 4.11Å; K51-F78 HydrophobicContact CB-CE2 3.98Å; K51-F78 HydrophobicContact CB-CZ 3.62Å; K51-F78 HydrophobicContact CD-CE2 4.3Å; K51-F78 HydrophobicContact CD-CZ 3.9Å; K51-F78 HydrophobicContact CG-CE2 4.17Å; K51-F78 HydrophobicContact CG-CZ 4.04Å; F78-R96 WeakPolarHBondContact O-CD 3.4Å; F78-R96 PolarHBondContact O-NH1 3.28Å
79L98Very high93.2Very high2 Ų255.1 Ų55.11%0.0129%0.294CS..THydrogen-bonded Turntrans-78.1-24174.7-60.5175.6000112A47 A50 Q77 P81 R96 A97 L100A47-L79 HydrophobicContact CB-CD1 4.03Å; A47-L79 HydrophobicContact CB-CG 4.22Å; A50-L79 HydrophobicContact CB-CD1 4.04Å; Q77-L79 PolarHBondContact O-N 2.77Å; Q77-L79 VanDerWaalsContact OE1-CA 3.29Å; L79-P81 WeakPolarHBondContact O-CD 3.31Å; L79-R96 HydrophobicContact CD2-CB 4.22Å; L79-R96 WeakPolarHBondContact O-CB 3.42Å; L79-R96 VanDerWaalsContact O-CD 3.3Å; L79-R96 WeakPolarHBondContact O-CD 3.21Å; L79-A97 HydrophobicContact CD1-CB 4.25Å; L79-A97 HydrophobicContact CD2-CB 4.25Å; L79-L100 HydrophobicContact CD2-CD1 4.12Å
80V96.8Very high93.2Very high1 Ų155 Ų551%0.00629%0.293CS..SBendtrans-82.8126.8177.8173.70000110.4V69 Q77 A84 R89 A92 S93 R96V69-V80 HydrophobicContact CB-CG1 4.33Å; V69-V80 HydrophobicContact CG1-CG1 3.57Å; V69-V80 HydrophobicContact CG2-CG1 3.72Å; V69-V80 HydrophobicContact CG2-CG2 4.22Å; Q77-V80 HydrophobicContact CG-CG2 4.45Å; Q77-V80 PolarHBondContact O-N 2.92Å; V80-A84 HydrophobicContact CG1-CB 4.12Å; V80-R89 HydrophobicContact CG2-CG 4.26Å; V80-A92 HydrophobicContact CG1-CB 4.37Å; V80-A92 HydrophobicContact CG2-CB 4.38Å; V80-S93 WeakPolarHBondContact CG2-OG 3.49Å; V80-R96 PolarHBondContact O-NH1 3.4Å; V80-R96 VanDerWaalsContact O-NH1 3.16Å
81P94.2Very high93.5Very high24 Ų2457.6 Ų57.616%0.15630%0.3CS..  trans-66.3143.6169.7-20.131.9000112L79 S83 A84 A92L79-P81 WeakPolarHBondContact O-CD 3.31Å; P81-S83 PolarHBondContact O-N 3.22Å; P81-S83 VanDerWaalsContact O-N 3.07Å; P81-A84 HydrophobicContact CB-CB 4.26Å; P81-A84 HydrophobicContact CG-CB 4.41Å; P81-A84 VanDerWaalsContact O-CB 3.29Å; P81-A84 WeakPolarHBondContact O-CB 3.42Å; P81-A84 PolarHBondContact O-N 3Å; P81-A92 WeakPolarHBondContact CD-O 3.43Å
82V92.6Very high93.9Very high111 Ų11153.2 Ų53.267%0.67328%0.281SS*.G310 helixtrans-58-27.8178.2-175.40000112.2A84V82-A84 VanDerWaalsContact C-N 3.33Å
83S93.3Very high94.5Very high106 Ų10648.4 Ų48.474%0.74126%0.259SS*.G310 helixtrans-82.4-1178.257.10000114.8P81 Q85P81-S83 PolarHBondContact O-N 3.22Å; P81-S83 VanDerWaalsContact O-N 3.07Å; S83-Q85 VanDerWaalsContact C-N 3.35Å
84A94.6Very high95.1Very high2 Ų250.6 Ų50.62%0.01727%0.269CS..G310 helixtrans-92.913.1-172.600000114V69 V80 P81 V82 G86 Q87 A92V69-A84 WeakPolarHBondContact CB-O 3.42Å; V80-A84 HydrophobicContact CG1-CB 4.12Å; P81-A84 HydrophobicContact CB-CB 4.26Å; P81-A84 HydrophobicContact CG-CB 4.41Å; P81-A84 VanDerWaalsContact O-CB 3.29Å; P81-A84 WeakPolarHBondContact O-CB 3.42Å; P81-A84 PolarHBondContact O-N 3Å; V82-A84 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 3.42Å; A84-Q87 HydrophobicContact CB-CG 4.45Å; A84-Q87 VanDerWaalsContact O-CB 3.26Å; A84-Q87 WeakPolarHBondContact O-CB 3.48Å; A84-Q87 WeakPolarHBondContact O-CG 3.47Å; A84-Q87 PolarHBondContact O-N 2.73Å; A84-A92 HydrophobicContact CB-CB 3.8Å
85Q95.1Very high95.6Very high131 Ų13156.5 Ų56.561%0.61230%0.295SS*.THydrogen-bonded Turntrans-52.9132178.4-174.2174.1-18.800111.5S83 Q87S83-Q85 VanDerWaalsContact C-N 3.35Å; Q85-Q87 VanDerWaalsContact C-N 3.26Å; Q85-Q87 PolarHBondContact O-N 2.87Å
86G95.1Very high96.1Very high41 Ų4152.1 Ų52.142%0.42328%0.279SS..THydrogen-bonded Turntrans80.6-8.7-177.300000115.5V69 A84V69-G86 PolarHBondContact O-N 3.1Å; A84-G86 PolarHBondContact O-N 3.42Å
87Q97.4Very high96.8Very high102 Ų10250.6 Ų50.648%0.47727%0.266SS..SBendtrans-76162.4169.3-58.2-177.419.400110.5Q68 V69 A84 Q85 A92Q68-Q87 CarbonylContact C-O 3.37Å; Q68-Q87 VanDerWaalsContact CA-O 3.28Å; Q68-Q87 WeakPolarHBondContact CA-O 3.32Å; V69-Q87 WeakPolarHBondContact CG2-O 3.49Å; V69-Q87 PolarHBondContact N-O 2.84Å; A84-Q87 HydrophobicContact CB-CG 4.45Å; A84-Q87 VanDerWaalsContact O-CB 3.26Å; A84-Q87 WeakPolarHBondContact O-CB 3.48Å; A84-Q87 WeakPolarHBondContact O-CG 3.47Å; A84-Q87 PolarHBondContact O-N 2.73Å; Q85-Q87 VanDerWaalsContact C-N 3.26Å; Q85-Q87 PolarHBondContact O-N 2.87Å; Q87-A92 HydrophobicContact CB-CB 4.33Å
88N98.4Very high97Very high19 Ų1953 Ų5310%0.10228%0.277CS..BIsolated β-bridgetrans-64.5136.9172.2171.6-89.2000110.9D65 A90 Q91 A92 P110D65-N88 PolarHBondContact O-ND2 3.32Å; D65-N88 PolarHBondContact O-OD1 3.3Å; N88-A90 PolarHBondContact O-N 2.85Å; N88-A90 WeakPolarHBondContact OD1-CB 3.4Å; N88-A90 PolarHBondContact OD1-N 2.86Å; N88-A90 VanDerWaalsContact OD1-N 3.1Å; N88-Q91 HydrophobicContact CB-CB 4.16Å; N88-Q91 HydrophobicContact CB-CG 4.2Å; N88-Q91 PolarHBondContact O-N 3.08Å; N88-Q91 PolarHBondContact OD1-N 3.5Å; N88-A92 VanDerWaalsContact O-CB 3.23Å; N88-A92 WeakPolarHBondContact O-CB 3.1Å; N88-A92 PolarHBondContact O-N 3.16Å; N88-P110 HydrophobicContact CB-CB 4.35Å; N88-P110 WeakPolarHBondContact ND2-CB 3.37Å
89R98.1Very high97.1Very high25 Ų2554.5 Ų54.59%0.09429%0.289CS..Hα-helixtrans-65.6-40.9-172.3-166.6-179.5-60.4145.1-6.5113.3V42 D65 E67 V69 V80 S93V42-R89 HydrophobicContact CB-CG 4.42Å; V42-R89 WeakPolarHBondContact O-CD 3.29Å; D65-R89 HydrophobicContact CB-CB 4.31Å; D65-R89 IonicContact OD1-NH1 3.29Å; D65-R89 WeakPolarHBondContact OD2-CD 3.4Å; D65-R89 IonicContact OD2-CZ 3.46Å; D65-R89 IonicContact OD2-NE 3.09Å; D65-R89 IonicContact OD2-NH1 2.72Å; D65-R89 PolarHBondContact OD2-NH1 3.1Å; D65-R89 VanDerWaalsContact OD2-NH1 3.1Å; E67-R89 WeakPolarHBondContact O-CB 3.43Å; E67-R89 PolarHBondContact O-N 2.95Å; E67-R89 IonicContact OE2-CZ 3.99Å; E67-R89 IonicContact OE2-NH1 3.98Å; E67-R89 PolarHBondContact OE2-NH1 2.93Å; E67-R89 IonicContact OE2-NH2 3Å; E67-R89 PolarHBondContact OE2-NH2 2.81Å; V69-R89 HydrophobicContact CG2-CB 4.39Å; V80-R89 HydrophobicContact CG2-CG 4.26Å; R89-S93 WeakPolarHBondContact O-CB 3.23Å; R89-S93 PolarHBondContact O-N 2.78Å; R89-S93 VanDerWaalsContact O-N 3.14Å; R89-S93 PolarHBondContact O-OG 3.14Å
90A98.5Very high97.1Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-65.9-46.5177.200000111.2L63 D65 N88 S93 L94 A108L63-A90 HydrophobicContact CB-CB 4.18Å; L63-A90 WeakPolarHBondContact O-CB 3.36Å; D65-A90 HydrophobicContact CB-CB 3.97Å; N88-A90 PolarHBondContact O-N 2.85Å; N88-A90 WeakPolarHBondContact OD1-CB 3.4Å; N88-A90 PolarHBondContact OD1-N 2.86Å; N88-A90 VanDerWaalsContact OD1-N 3.1Å; A90-S93 PolarHBondContact O-N 3.46Å; A90-L94 PolarHBondContact O-N 3.1Å; A90-A108 HydrophobicContact CB-CB 4.18Å
91Q98.6Very high97.2Very high105 Ų10557.1 Ų57.149%0.49130%0.303SS..Hα-helixtrans-63.6-44.3177.9-68.3177.9-25.100112.1N88 S93 L94 A108 P110N88-Q91 HydrophobicContact CB-CB 4.16Å; N88-Q91 HydrophobicContact CB-CG 4.2Å; N88-Q91 PolarHBondContact O-N 3.08Å; N88-Q91 PolarHBondContact OD1-N 3.5Å; Q91-S93 PolarHBondContact O-N 2.97Å; Q91-L94 VanDerWaalsContact O-CB 3.28Å; Q91-L94 WeakPolarHBondContact O-CB 3.49Å; Q91-L94 PolarHBondContact O-N 2.8Å; Q91-A108 HydrophobicContact CG-CB 4.18Å; Q91-P110 HydrophobicContact CG-CB 4.44Å
92A98.3Very high97.3Very high8 Ų861.2 Ų61.27%0.06633%0.329CS..Hα-helixtrans-63-28.3177.800000112.8V69 V80 P81 A84 Q87 N88V69-A92 HydrophobicContact CG2-CB 3.76Å; V80-A92 HydrophobicContact CG1-CB 4.37Å; V80-A92 HydrophobicContact CG2-CB 4.38Å; P81-A92 WeakPolarHBondContact CD-O 3.43Å; A84-A92 HydrophobicContact CB-CB 3.8Å; Q87-A92 HydrophobicContact CB-CB 4.33Å; N88-A92 VanDerWaalsContact O-CB 3.23Å; N88-A92 WeakPolarHBondContact O-CB 3.1Å; N88-A92 PolarHBondContact O-N 3.16Å
93S98.5Very high97.5Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-81.1-18.8178.8-60.10000113.5Q77 V80 R89 A90 Q91 E95 A97Q77-S93 PolarHBondContact NE2-OG 3.17Å; V80-S93 WeakPolarHBondContact CG2-OG 3.49Å; R89-S93 WeakPolarHBondContact O-CB 3.23Å; R89-S93 PolarHBondContact O-N 2.78Å; R89-S93 VanDerWaalsContact O-N 3.14Å; R89-S93 PolarHBondContact O-OG 3.14Å; A90-S93 PolarHBondContact O-N 3.46Å; Q91-S93 PolarHBondContact O-N 2.97Å; S93-E95 PolarHBondContact O-N 3.1Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 3.48Å
94L98.6Very high97.7Very high58 Ų5852.1 Ų52.130%0.30427%0.268SS..Hα-helixtrans-59.1-49.8-165.5-179.261000113.3A90 Q91 A97 Q98 V106 A108A90-L94 PolarHBondContact O-N 3.1Å; Q91-L94 VanDerWaalsContact O-CB 3.28Å; Q91-L94 WeakPolarHBondContact O-CB 3.49Å; Q91-L94 PolarHBondContact O-N 2.8Å; L94-A97 PolarHBondContact O-N 3.38Å; L94-Q98 VanDerWaalsContact O-CB 3.31Å; L94-Q98 WeakPolarHBondContact O-CB 3.42Å; L94-Q98 PolarHBondContact O-N 3.48Å; L94-V106 HydrophobicContact CD1-CB 4.12Å; L94-V106 HydrophobicContact CD1-CG1 3.81Å; L94-V106 WeakPolarHBondContact CD1-O 3.44Å; L94-A108 HydrophobicContact CB-CB 4.27Å; L94-A108 HydrophobicContact CD1-CB 4.28Å; L94-A108 HydrophobicContact CD2-CB 4.17Å; L94-A108 HydrophobicContact CG-CB 4.48Å
95E98.3Very high97.9Very high137 Ų13756.7 Ų56.764%0.6429%0.289SS*.Hα-helixtrans-61.6-51-175.4-176.3-174.4176.400111.5S93 A97 Q98 N99S93-E95 PolarHBondContact O-N 3.1Å; E95-A97 VanDerWaalsContact C-N 3.33Å; E95-A97 PolarHBondContact O-N 2.72Å; E95-Q98 PolarHBondContact O-N 2.86Å; E95-N99 WeakPolarHBondContact O-CB 3.44Å; E95-N99 PolarHBondContact O-N 3.4Å; E95-N99 PolarHBondContact O-ND2 2.96Å
96R98.6Very high98.1Very high103 Ų10350.9 Ų50.939%0.38926%0.263SS..Hα-helixtrans-66.1-37.5179.5-68-165.7-179.5168.2-1111.9F78 L79 V80 N99 L100F78-R96 WeakPolarHBondContact O-CD 3.4Å; F78-R96 PolarHBondContact O-NH1 3.28Å; L79-R96 HydrophobicContact CD2-CB 4.22Å; L79-R96 WeakPolarHBondContact O-CB 3.42Å; L79-R96 VanDerWaalsContact O-CD 3.3Å; L79-R96 WeakPolarHBondContact O-CD 3.21Å; V80-R96 PolarHBondContact O-NH1 3.4Å; V80-R96 VanDerWaalsContact O-NH1 3.16Å; R96-N99 PolarHBondContact O-N 2.85Å; R96-L100 PolarHBondContact O-N 3.27Å
97A98.7Very high98.2Very high0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-63.4-48.8176.600000111.1I54 L63 L79 S93 L94 E95 N99 L100 V106I54-A97 HydrophobicContact CD1-CB 3.78Å; L63-A97 HydrophobicContact CD1-CB 4.12Å; L79-A97 HydrophobicContact CD1-CB 4.25Å; L79-A97 HydrophobicContact CD2-CB 4.25Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 3.48Å; L94-A97 PolarHBondContact O-N 3.38Å; E95-A97 VanDerWaalsContact C-N 3.33Å; E95-A97 PolarHBondContact O-N 2.72Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 3.34Å; A97-L100 WeakPolarHBondContact O-CB 3.29Å; A97-L100 PolarHBondContact O-N 2.89Å; A97-L100 VanDerWaalsContact O-N 3.13Å; A97-V106 HydrophobicContact CB-CG1 4.1Å
98Q98.8Very high98.3Very high56 Ų5650.2 Ų50.226%0.26225%0.253SS..Hα-helixtrans-61.2-36.9178.5-175.259.676.200112.4L94 E95 L100 N101 V104 V106L94-Q98 VanDerWaalsContact O-CB 3.31Å; L94-Q98 WeakPolarHBondContact O-CB 3.42Å; L94-Q98 PolarHBondContact O-N 3.48Å; E95-Q98 PolarHBondContact O-N 2.86Å; Q98-L100 PolarHBondContact O-N 2.84Å; Q98-N101 PolarHBondContact NE2-O 3.49Å; Q98-N101 CarbonylContact O-C 3.59Å; Q98-N101 PolarHBondContact O-N 3.21Å; Q98-V104 PolarHBondContact NE2-O 2.96Å; Q98-V104 PolarHBondContact OE1-O 2.94Å; Q98-V106 HydrophobicContact CB-CB 4.42Å; Q98-V106 HydrophobicContact CB-CG2 4.5Å; Q98-V106 VanDerWaalsContact OE1-N 3.1Å
99N98.5Very high98.3Very high114 Ų11450.5 Ų50.561%0.6126%0.255SS*.Hα-helixtrans-67.4-17.2178.1-73.1-21.5000114E95 R96 A97 N101E95-N99 WeakPolarHBondContact O-CB 3.44Å; E95-N99 PolarHBondContact O-N 3.4Å; E95-N99 PolarHBondContact O-ND2 2.96Å; R96-N99 PolarHBondContact O-N 2.85Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 3.34Å; N99-N101 VanDerWaalsContact C-N 3.3Å
100L98.6Very high98.3Very high57 Ų5751.6 Ų51.630%0.29827%0.265SS..Hα-helixtrans-67.3-33.1175.7-67.4174.1000112.1K51 I54 L55 L79 R96 A97 Q98K51-L100 HydrophobicContact CB-CD1 3.85Å; K51-L100 HydrophobicContact CG-CD1 3.79Å; I54-L100 HydrophobicContact CD1-CD1 4.44Å; I54-L100 HydrophobicContact CG2-CB 3.74Å; L55-L100 HydrophobicContact CD2-CB 4.2Å; L79-L100 HydrophobicContact CD2-CD1 4.12Å; R96-L100 PolarHBondContact O-N 3.27Å; A97-L100 WeakPolarHBondContact O-CB 3.29Å; A97-L100 PolarHBondContact O-N 2.89Å; A97-L100 VanDerWaalsContact O-N 3.13Å; Q98-L100 PolarHBondContact O-N 2.84Å
101N98.3Very high98.3Very high0 Ų055.8 Ų55.80%029%0.288CS..  trans-158.1104.7179.4-167.3-11.6000111.6Q16 Y17 I54 Q98 N99 M103 V104Q16-N101 VanDerWaalsContact NE2-CG 3.34Å; Q16-N101 PolarHBondContact NE2-ND2 3.41Å; Q16-N101 PolarHBondContact NE2-OD1 3.4Å; Y17-N101 PolarHBondContact OH-ND2 3.12Å; I54-N101 HydrophobicContact CG2-CB 3.49Å; I54-N101 VanDerWaalsContact CG2-CB 3.49Å; I54-N101 WeakPolarHBondContact O-CB 3.14Å; I54-N101 PolarHBondContact O-ND2 3.4Å; Q98-N101 PolarHBondContact NE2-O 3.49Å; Q98-N101 CarbonylContact O-C 3.59Å; Q98-N101 PolarHBondContact O-N 3.21Å; N99-N101 VanDerWaalsContact C-N 3.3Å; N101-M103 PolarHBondContact O-N 3.12Å; N101-M103 VanDerWaalsContact O-N 3.09Å; N101-M103 WeakPolarHBondContact OD1-CB 3.45Å; N101-M103 PolarHBondContact OD1-N 3.45Å; N101-M103 VanDerWaalsContact OD1-N 3.15Å; N101-V104 HydrophobicContact CB-CG2 4.06Å; N101-V104 PolarHBondContact O-N 3.5Å
102P97Very high98.3Very high110 Ų11056.5 Ų56.571%0.71429%0.286SS*.THydrogen-bonded Turntrans-61.1-17.3178.5-2535.3000114.9V104P102-V104 VanDerWaalsContact C-N 3.33Å
103M96.1Very high98.3Very high25 Ų2556.4 Ų56.412%0.12329%0.285CS..THydrogen-bonded Turntrans-81.6-12.9-178.5-59.5164.3174.400113.1E12 E13 Q16 Y17 R33 N101E12-M103 HydrophobicContact CB-CE 3.9Å; E12-M103 HydrophobicContact CG-CE 3.5Å; E12-M103 VanDerWaalsContact CG-CE 3.5Å; E13-M103 HydrophobicContact CB-CE 4.35Å; E13-M103 HydrophobicContact CB-SD 4.15Å; E13-M103 HydrophobicContact CG-CE 3.7Å; E13-M103 HydrophobicContact CG-CG 4.13Å; E13-M103 HydrophobicContact CG-SD 3.25Å; E13-M103 WeakPolarHBondContact CG-SD 3.41Å; Q16-M103 HydrophobicContact CB-CE 4.46Å; Q16-M103 PolarHBondContact OE1-SD 3.15Å; Q16-M103 VanDerWaalsContact OE1-SD 3.35Å; Y17-M103 HydrophobicContact CE2-SD 4.1Å; R33-M103 PolarHBondContact NH1-O 2.95Å; R33-M103 PolarHBondContact NH2-O 3.4Å; R33-M103 VanDerWaalsContact NH2-O 3.09Å; N101-M103 PolarHBondContact O-N 3.12Å; N101-M103 VanDerWaalsContact O-N 3.09Å; N101-M103 WeakPolarHBondContact OD1-CB 3.45Å; N101-M103 PolarHBondContact OD1-N 3.45Å; N101-M103 VanDerWaalsContact OD1-N 3.15Å
104V98.1Very high98.2Very high2 Ų259.3 Ų59.31%0.01230%0.298CS..SBendtrans-100.6130.1-179.9-178.10000109.6I54 V58 Q98 N101 P102 V106I54-V104 HydrophobicContact CG1-CG1 4.44Å; I54-V104 HydrophobicContact CG2-CB 4.32Å; I54-V104 HydrophobicContact CG2-CG2 4.36Å; I54-V104 WeakPolarHBondContact O-CG2 3.42Å; V58-V104 HydrophobicContact CG2-CG1 3.81Å; V58-V104 WeakPolarHBondContact O-CG2 3.41Å; Q98-V104 PolarHBondContact NE2-O 2.96Å; Q98-V104 PolarHBondContact OE1-O 2.94Å; N101-V104 HydrophobicContact CB-CG2 4.06Å; N101-V104 PolarHBondContact O-N 3.5Å; P102-V104 VanDerWaalsContact C-N 3.33Å; V104-V106 HydrophobicContact CG1-CG2 4.27Å; V104-V106 PolarHBondContact O-N 2.85Å
105E98.4Very high98.2Very high98 Ų9862.2 Ų62.246%0.45831%0.314SS..EExtended strand (participates in β ladder)trans-76.9105.7173.2-65.7170.3-179.400109.6K59 G60 L61K59-E105 PolarHBondContact O-N 2.92Å; K59-E105 VanDerWaalsContact O-N 3.15Å; G60-E105 CarbonylContact C-O 3.48Å; G60-E105 WeakPolarHBondContact CA-O 3.46Å; L61-E105 PolarHBondContact N-O 3.2Å
106V98.8Very high98.2Very high9 Ų956.5 Ų56.56%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-98.6126.8175.7-1690000109.7I54 L61 L63 L94 A97 Q98 V104I54-V106 HydrophobicContact CD1-CG2 3.95Å; I54-V106 HydrophobicContact CG1-CG2 4.09Å; L61-V106 WeakPolarHBondContact O-CA 3.28Å; L63-V106 HydrophobicContact CD1-CG1 3.98Å; L63-V106 HydrophobicContact CG-CG1 4.11Å; L94-V106 HydrophobicContact CD1-CB 4.12Å; L94-V106 HydrophobicContact CD1-CG1 3.81Å; L94-V106 WeakPolarHBondContact CD1-O 3.44Å; A97-V106 HydrophobicContact CB-CG1 4.1Å; Q98-V106 HydrophobicContact CB-CB 4.42Å; Q98-V106 HydrophobicContact CB-CG2 4.5Å; Q98-V106 VanDerWaalsContact OE1-N 3.1Å; V104-V106 HydrophobicContact CG1-CG2 4.27Å; V104-V106 PolarHBondContact O-N 2.85Å
107H98.8Very high98.1Very high100 Ų10055.7 Ų55.746%0.46330%0.295SS..EExtended strand (participates in β ladder)trans-118.6147.9176.1-61.6-69.1000110.4L61 T62 L63L61-H107 PolarHBondContact O-N 3.22Å; T62-H107 HydrophobicContact CG2-CB 4.45Å; L63-H107 PolarHBondContact N-O 2.83Å
108A98.8Very high98.1Very high29 Ų2959 Ų5924%0.2431%0.313CS..EExtended strand (participates in β ladder)trans-114.1130.3171.900000109.9L63 A90 Q91 L94L63-A108 CarbonylContact O-C 3.59Å; L63-A108 WeakPolarHBondContact O-CA 3.33Å; A90-A108 HydrophobicContact CB-CB 4.18Å; Q91-A108 HydrophobicContact CG-CB 4.18Å; L94-A108 HydrophobicContact CB-CB 4.27Å; L94-A108 HydrophobicContact CD1-CB 4.28Å; L94-A108 HydrophobicContact CD2-CB 4.17Å; L94-A108 HydrophobicContact CG-CB 4.48Å
109D98.8Very high98.1Very high24 Ų2462.4 Ų62.413%0.12833%0.333CS..EExtended strand (participates in β ladder)trans-120.5110.7177-168.5-34.9000108.4T62 L63 L64 D65 D111 K116T62-D109 HydrophobicContact CG2-CB 4.14Å; L63-D109 PolarHBondContact O-N 2.86Å; L64-D109 WeakPolarHBondContact CA-O 3.47Å; L64-D109 HydrophobicContact CB-CB 4.21Å; L64-D109 HydrophobicContact CG-CB 4.15Å; D65-D109 PolarHBondContact N-O 3.45Å; D65-D109 VanDerWaalsContact N-O 3.11Å; D109-D111 VanDerWaalsContact C-N 3.28Å; D109-D111 PolarHBondContact O-N 2.97Å; D109-D111 WeakPolarHBondContact OD1-CB 3.36Å; D109-D111 PolarHBondContact OD1-N 3.4Å; D109-D111 VanDerWaalsContact OD1-N 3.11Å; D109-K116 WeakPolarHBondContact OD1-CE 3.44Å; D109-K116 IonicContact OD1-NZ 2.71Å; D109-K116 PolarHBondContact OD1-NZ 3.31Å; D109-K116 VanDerWaalsContact OD2-CE 3.23Å; D109-K116 WeakPolarHBondContact OD2-CE 3.39Å; D109-K116 IonicContact OD2-NZ 3.59Å; D109-K116 PolarHBondContact OD2-NZ 3.24Å
110P98.5Very high98.1Very high49 Ų4958.4 Ų58.432%0.31831%0.31SS..  trans-851.5-174.536.7-37.6000113.4H66 N88 Q91H66-P110 VanDerWaalsContact CA-O 3.32Å; H66-P110 WeakPolarHBondContact CA-O 3.37Å; N88-P110 HydrophobicContact CB-CB 4.35Å; N88-P110 WeakPolarHBondContact ND2-CB 3.37Å; Q91-P110 HydrophobicContact CG-CB 4.44Å
111D98.4Very high98.1Very high88 Ų8855.7 Ų55.747%0.47130%0.296SS..SBendtrans-80.8164.8-176.4-63-23.1000111.9L64 D109 K116L64-D111 VanDerWaalsContact CD2-O 3.24Å; L64-D111 WeakPolarHBondContact CD2-O 3.33Å; D109-D111 VanDerWaalsContact C-N 3.28Å; D109-D111 PolarHBondContact O-N 2.97Å; D109-D111 WeakPolarHBondContact OD1-CB 3.36Å; D109-D111 PolarHBondContact OD1-N 3.4Å; D109-D111 VanDerWaalsContact OD1-N 3.11Å; D111-K116 VanDerWaalsContact CB-NZ 3.33Å; D111-K116 IonicContact OD2-NZ 3.28Å; D111-K116 PolarHBondContact OD2-NZ 3.01Å
112R97.9Very high98Very high119 Ų11958.4 Ų58.445%0.44931%0.31SS..  trans-72.2136173-58.5-177.363.3123.25.9110.3H66 E114 D115H66-R112 HydrophobicContact CB-CB 4.3Å; H66-R112 HydrophobicContact CB-CG 3.67Å; R112-E114 VanDerWaalsContact C-N 3.26Å; R112-E114 IonicContact NE-OE2 2.67Å; R112-E114 IonicContact NH2-OE2 3.19Å; R112-E114 PolarHBondContact O-N 2.74Å; R112-D115 HydrophobicContact CB-CB 4.28Å; R112-D115 WeakPolarHBondContact CB-OD2 3.23Å; R112-D115 WeakPolarHBondContact CD-OD2 3.24Å; R112-D115 PolarHBondContact O-N 2.79Å
113V98Very high98.1Very high7 Ų757.2 Ų57.24%0.04230%0.295CS..G310 helixtrans-66-31.4178.252.90000111.6A40 L64 D115 K116 F121 L136A40-V113 HydrophobicContact CB-CB 4.31Å; A40-V113 HydrophobicContact CB-CG2 4.04Å; L64-V113 HydrophobicContact CD1-CB 4.44Å; L64-V113 HydrophobicContact CD2-CB 3.66Å; V113-D115 PolarHBondContact O-N 3.11Å; V113-K116 PolarHBondContact O-N 3.47Å; V113-F121 HydrophobicContact CG2-CE1 4.13Å; V113-F121 HydrophobicContact CG2-CZ 4.05Å; V113-L136 HydrophobicContact CB-CD2 4.13Å; V113-L136 HydrophobicContact CG1-CD2 3.28Å; V113-L136 HydrophobicContact CG2-CD1 4.41Å; V113-L136 HydrophobicContact CG2-CD2 3.87Å
114E96.8Very high98.2Very high61 Ų6156.4 Ų56.429%0.28529%0.29SS..G310 helixtrans-64.3-30.6177.4-62.581.7-178.700113R112 K116 L136 R139R112-E114 VanDerWaalsContact C-N 3.26Å; R112-E114 IonicContact NE-OE2 2.67Å; R112-E114 IonicContact NH2-OE2 3.19Å; R112-E114 PolarHBondContact O-N 2.74Å; E114-K116 VanDerWaalsContact C-N 3.34Å; E114-L136 HydrophobicContact CG-CD1 4.29Å; E114-L136 HydrophobicContact CG-CD2 4.17Å; E114-R139 PolarHBondContact O-NH1 2.69Å
115D97.5Very high98.2Very high118 Ų11858 Ų5863%0.63130%0.299SS*.G310 helixtrans-86-8.2-176.2-62.9-24.2000112.3R112 V113R112-D115 HydrophobicContact CB-CB 4.28Å; R112-D115 WeakPolarHBondContact CB-OD2 3.23Å; R112-D115 WeakPolarHBondContact CD-OD2 3.24Å; R112-D115 PolarHBondContact O-N 2.79Å; V113-D115 PolarHBondContact O-N 3.11Å
116K98.3Very high98.3Very high18 Ų1853.4 Ų53.48%0.07828%0.277CS..SBendtrans-69.7133.8179-65.4-60-175-176.30110.9L64 D109 D111 V113 E114 F120 F121L64-K116 HydrophobicContact CD1-CD 4.42Å; L64-K116 HydrophobicContact CD1-CG 3.98Å; D109-K116 WeakPolarHBondContact OD1-CE 3.44Å; D109-K116 IonicContact OD1-NZ 2.71Å; D109-K116 PolarHBondContact OD1-NZ 3.31Å; D109-K116 VanDerWaalsContact OD2-CE 3.23Å; D109-K116 WeakPolarHBondContact OD2-CE 3.39Å; D109-K116 IonicContact OD2-NZ 3.59Å; D109-K116 PolarHBondContact OD2-NZ 3.24Å; D111-K116 VanDerWaalsContact CB-NZ 3.33Å; D111-K116 IonicContact OD2-NZ 3.28Å; D111-K116 PolarHBondContact OD2-NZ 3.01Å; V113-K116 PolarHBondContact O-N 3.47Å; E114-K116 VanDerWaalsContact C-N 3.34Å; K116-F120 HydrophobicContact CB-CB 4.12Å; K116-F120 HydrophobicContact CB-CD1 3.75Å; K116-F120 HydrophobicContact CB-CE1 4.42Å; K116-F120 HydrophobicContact CB-CG 4.04Å; K116-F120 HydrophobicContact CD-CD1 4.05Å; K116-F120 HydrophobicContact CD-CD2 4.09Å; K116-F120 HydrophobicContact CD-CE1 4.17Å; K116-F120 HydrophobicContact CD-CE2 4.22Å; K116-F120 HydrophobicContact CD-CG 4Å; K116-F120 HydrophobicContact CD-CZ 4.26Å; K116-F120 HydrophobicContact CG-CD1 3.73Å; K116-F120 HydrophobicContact CG-CE1 3.92Å; K116-F120 HydrophobicContact CG-CG 4.13Å; K116-F120 HydrophobicContact CG-CZ 4.48Å; K116-F121 HydrophobicContact CB-CE2 3.95Å; K116-F121 HydrophobicContact CB-CZ 3.98Å
117P98Very high98.3Very high85 Ų8553 Ų5355%0.55228%0.275SS*.  trans-68.6156.1173.230.8-35.2000110.3D119 F120P117-D119 VanDerWaalsContact C-N 3.27Å; P117-D119 PolarHBondContact O-N 3.39Å; P117-F120 HydrophobicContact CG-CB 4.2Å; P117-F120 WeakPolarHBondContact O-CB 3.43Å; P117-F120 PolarHBondContact O-N 3.35Å
118D97.8Very high98.3Very high71 Ų7148.2 Ų48.238%0.3825%0.253SS..Hα-helixtrans-56.7-40.3-176.7-70.4-3.5000112.6F120 F121 R139 L143D118-F120 PolarHBondContact O-N 3.11Å; D118-F120 VanDerWaalsContact O-N 3.09Å; D118-F121 PolarHBondContact O-N 2.83Å; D118-R139 IonicContact OD1-CZ 2.74Å; D118-R139 IonicContact OD1-NE 2.99Å; D118-R139 IonicContact OD1-NH2 3.27Å; D118-R139 PolarHBondContact OD1-NH2 3.4Å; D118-L143 HydrophobicContact CB-CD1 3.98Å; D118-L143 HydrophobicContact CB-CD2 3.62Å; D118-L143 HydrophobicContact CB-CG 4.47Å
119D97.9Very high98.3Very high127 Ų12746.9 Ų46.968%0.67924%0.242SC*.Hα-helixtrans-58.5-24.7177.7-71.3-16.9000113.6P117 F121 L122P117-D119 VanDerWaalsContact C-N 3.27Å; P117-D119 PolarHBondContact O-N 3.39Å; D119-F121 VanDerWaalsContact C-N 3.28Å; D119-F121 PolarHBondContact O-N 2.79Å; D119-L122 PolarHBondContact O-N 3.41Å
120F98.6Very high98.3Very high29 Ų2946 Ų4613%0.12724%0.238CC..Hα-helixtrans-60.8-39.2175.6174.1-99.2000111.6L38 L64 K116 P117 D118 L122 Q123 F124L38-F120 HydrophobicContact CD1-CE1 3.96Å; L38-F120 HydrophobicContact CD1-CZ 4.08Å; L38-F120 HydrophobicContact CD2-CD1 4.36Å; L38-F120 HydrophobicContact CD2-CE1 3.67Å; L38-F120 HydrophobicContact CG-CE1 4.49Å; L64-F120 HydrophobicContact CD1-CE1 3.67Å; L64-F120 HydrophobicContact CD1-CZ 3.83Å; K116-F120 HydrophobicContact CB-CB 4.12Å; K116-F120 HydrophobicContact CB-CD1 3.75Å; K116-F120 HydrophobicContact CB-CE1 4.42Å; K116-F120 HydrophobicContact CB-CG 4.04Å; K116-F120 HydrophobicContact CD-CD1 4.05Å; K116-F120 HydrophobicContact CD-CD2 4.09Å; K116-F120 HydrophobicContact CD-CE1 4.17Å; K116-F120 HydrophobicContact CD-CE2 4.22Å; K116-F120 HydrophobicContact CD-CG 4Å; K116-F120 HydrophobicContact CD-CZ 4.26Å; K116-F120 HydrophobicContact CG-CD1 3.73Å; K116-F120 HydrophobicContact CG-CE1 3.92Å; K116-F120 HydrophobicContact CG-CG 4.13Å; K116-F120 HydrophobicContact CG-CZ 4.48Å; P117-F120 HydrophobicContact CG-CB 4.2Å; P117-F120 WeakPolarHBondContact O-CB 3.43Å; P117-F120 PolarHBondContact O-N 3.35Å; D118-F120 PolarHBondContact O-N 3.11Å; D118-F120 VanDerWaalsContact O-N 3.09Å; F120-L122 VanDerWaalsContact C-N 3.28Å; F120-L122 PolarHBondContact O-N 2.84Å; F120-Q123 VanDerWaalsContact CD2-NE2 3.28Å; F120-Q123 VanDerWaalsContact O-CG 3.28Å; F120-Q123 WeakPolarHBondContact O-CG 3.38Å; F120-Q123 PolarHBondContact O-NE2 3.3Å; F120-F124 HydrophobicContact CD1-CE2 4.35Å; F120-F124 AromaticContact CE1-CE2 3.95Å; F120-F124 HydrophobicContact CE1-CE2 3.95Å; F120-F124 HydrophobicContact CE2-CE2 4.46Å; F120-F124 HydrophobicContact CZ-CE2 4Å; F120-F124 HydrophobicContact CZ-CZ 4.16Å; F120-F124 VanDerWaalsContact O-CE2 3.31Å; F120-F124 WeakPolarHBondContact O-CE2 3.23Å
121F98.6Very high98.2Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-73.8-24.1-178.7-59.7-83.3000111.8L38 V113 K116 D118 D119 Q123 F124 V127 V140 L143L38-F121 HydrophobicContact CD2-CD1 3.68Å; L38-F121 HydrophobicContact CD2-CE1 3.82Å; V113-F121 HydrophobicContact CG2-CE1 4.13Å; V113-F121 HydrophobicContact CG2-CZ 4.05Å; K116-F121 HydrophobicContact CB-CE2 3.95Å; K116-F121 HydrophobicContact CB-CZ 3.98Å; D118-F121 PolarHBondContact O-N 2.83Å; D119-F121 VanDerWaalsContact C-N 3.28Å; D119-F121 PolarHBondContact O-N 2.79Å; F121-Q123 PolarHBondContact O-N 2.91Å; F121-F124 PolarHBondContact O-N 3.38Å; F121-V127 HydrophobicContact CD1-CG1 4.35Å; F121-V127 HydrophobicContact CD1-CG2 4.38Å; F121-V140 HydrophobicContact CD1-CG1 4Å; F121-V140 HydrophobicContact CD1-CG2 4.44Å; F121-V140 HydrophobicContact CE1-CG1 4.15Å; F121-V140 HydrophobicContact CE1-CG2 3.89Å; F121-V140 HydrophobicContact CE2-CG2 4.36Å; F121-V140 HydrophobicContact CZ-CG2 3.85Å; F121-L143 HydrophobicContact CB-CD2 4.17Å; F121-L143 HydrophobicContact CD2-CD2 3.91Å; F121-L143 HydrophobicContact CG-CD2 4.34Å
122L98.1Very high98.2Very high57 Ų5742.1 Ų42.130%0.29823%0.226SC..THydrogen-bonded Turntrans-71.8-11.5-173.8-55.6-172.9000114.5D119 F120 F124 L143 H147 I149D119-L122 PolarHBondContact O-N 3.41Å; F120-L122 VanDerWaalsContact C-N 3.28Å; F120-L122 PolarHBondContact O-N 2.84Å; L122-F124 VanDerWaalsContact C-N 3.34Å; L122-L143 HydrophobicContact CD2-CD1 4.49Å; L122-H147 HydrophobicContact CD2-CB 3.91Å; L122-I149 HydrophobicContact CB-CD1 4.5Å; L122-I149 HydrophobicContact CD2-CD1 3.82Å
123Q97.9Very high98.1Very high85 Ų8538.1 Ų38.140%0.39722%0.216SC..THydrogen-bonded Turntrans-82.3-10.7178.974.1-168.6-54.500114.2R36 F120 F121R36-Q123 PolarHBondContact NE-O 3.34Å; R36-Q123 PolarHBondContact NH2-O 3.05Å; F120-Q123 VanDerWaalsContact CD2-NE2 3.28Å; F120-Q123 VanDerWaalsContact O-CG 3.28Å; F120-Q123 WeakPolarHBondContact O-CG 3.38Å; F120-Q123 PolarHBondContact O-NE2 3.3Å; F121-Q123 PolarHBondContact O-N 2.91Å
124F98.8Very high98.1Very high8 Ų841.1 Ų41.14%0.03523%0.227CC..  trans-103.6151-174.9-57-76000112.1R36 L38 T62 F120 F121 L122 V127R36-F124 HydrophobicContact CB-CD1 4.23Å; L38-F124 HydrophobicContact CB-CB 4.44Å; L38-F124 HydrophobicContact CB-CD1 3.87Å; L38-F124 HydrophobicContact CB-CD2 3.64Å; L38-F124 HydrophobicContact CB-CE1 3.97Å; L38-F124 HydrophobicContact CB-CE2 3.73Å; L38-F124 HydrophobicContact CB-CG 3.71Å; L38-F124 HydrophobicContact CB-CZ 3.9Å; L38-F124 HydrophobicContact CD1-CE2 4.09Å; L38-F124 HydrophobicContact CD1-CZ 3.97Å; L38-F124 HydrophobicContact CD2-CD2 4.13Å; L38-F124 HydrophobicContact CD2-CE2 3.92Å; L38-F124 HydrophobicContact CG-CD2 4.4Å; L38-F124 HydrophobicContact CG-CE2 4.13Å; L38-F124 HydrophobicContact CG-CZ 4.37Å; T62-F124 HydrophobicContact CG2-CZ 4.34Å; T62-F124 WeakPolarHBondContact OG1-CE1 3.41Å; F120-F124 HydrophobicContact CD1-CE2 4.35Å; F120-F124 AromaticContact CE1-CE2 3.95Å; F120-F124 HydrophobicContact CE1-CE2 3.95Å; F120-F124 HydrophobicContact CE2-CE2 4.46Å; F120-F124 HydrophobicContact CZ-CE2 4Å; F120-F124 HydrophobicContact CZ-CZ 4.16Å; F120-F124 VanDerWaalsContact O-CE2 3.31Å; F120-F124 WeakPolarHBondContact O-CE2 3.23Å; F121-F124 PolarHBondContact O-N 3.38Å; L122-F124 VanDerWaalsContact C-N 3.34Å; F124-V127 HydrophobicContact CB-CG2 4.37Å
125D98.8Very high98.2Very high37 Ų3743.5 Ų43.520%0.19824%0.241CC..SBendtrans-88.5-21.6174-56.1-84.6000111.7K4 S35 R36 K150 L317K4-D125 IonicContact NZ-OD1 3.88Å; K4-D125 PolarHBondContact NZ-OD1 2.92Å; S35-D125 WeakPolarHBondContact CA-OD2 3.35Å; R36-D125 PolarHBondContact N-OD2 3.21Å; R36-D125 PolarHBondContact O-N 3.01Å; D125-K150 PolarHBondContact O-N 3.34Å; D125-L317 HydrophobicContact CB-CD2 3.9Å
126A98.9Very high98.2Very high0 Ų038.2 Ų38.20%021%0.213CC..EExtended strand (participates in β ladder)trans-146.1146.8170.600000112.2R36 V37 L38 K150 F152 L317R36-A126 PolarHBondContact O-N 3.48Å; V37-A126 WeakPolarHBondContact CA-O 3.26Å; V37-A126 HydrophobicContact CG1-CB 4.39Å; V37-A126 HydrophobicContact CG2-CB 4.41Å; L38-A126 PolarHBondContact N-O 3.33Å; A126-K150 CarbonylContact C-O 3.49Å; A126-K150 WeakPolarHBondContact CA-O 3.35Å; A126-K150 HydrophobicContact CB-CB 4.1Å; A126-F152 HydrophobicContact CB-CE2 4.22Å; A126-L317 HydrophobicContact CB-CD1 4.46Å; A126-L317 HydrophobicContact CB-CD2 3.94Å; A126-L317 HydrophobicContact CB-CG 4.41Å
127V98.9Very high98.3Very high0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-122.8124.4175.4177.90000109.2L38 F121 F124 L129 V140 I149 K150 V151 F152L38-V127 HydrophobicContact CB-CG1 4.44Å; L38-V127 HydrophobicContact CB-CG2 4.25Å; L38-V127 HydrophobicContact CD2-CG1 3.94Å; L38-V127 HydrophobicContact CD2-CG2 4.3Å; L38-V127 HydrophobicContact CG-CG1 4.4Å; F121-V127 HydrophobicContact CD1-CG1 4.35Å; F121-V127 HydrophobicContact CD1-CG2 4.38Å; F124-V127 HydrophobicContact CB-CG2 4.37Å; V127-L129 HydrophobicContact CG1-CD2 3.79Å; V127-L129 HydrophobicContact CG1-CG 4.15Å; V127-V140 HydrophobicContact CG1-CG1 3.92Å; V127-I149 HydrophobicContact CG2-CG2 3.97Å; V127-K150 PolarHBondContact N-O 3.36Å; V127-V151 WeakPolarHBondContact O-CA 3.17Å; V127-F152 PolarHBondContact O-N 3.24Å
128C98.9Very high98.3Very high0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-112.4124.8177.6-56.50000109.5L38 L39 A40 L49 F152L38-C128 PolarHBondContact O-N 2.95Å; L39-C128 WeakPolarHBondContact CA-O 3.41Å; L39-C128 HydrophobicContact CD1-CB 3.96Å; A40-C128 PolarHBondContact N-O 3.42Å; L49-C128 HydrophobicContact CD2-CB 3.72Å; C128-F152 CarbonylContact C-O 3.41Å; C128-F152 WeakPolarHBondContact CA-O 3.32Å; C128-F152 HydrophobicContact CB-CB 4.49Å
129L98.9Very high98.3Very high1 Ų135.6 Ų35.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-114.8122.9-177.2-56.3175.7000109.9A40 V127 C132 M137 V140 F152 C153 G154A40-L129 HydrophobicContact CB-CD2 3.81Å; V127-L129 HydrophobicContact CG1-CD2 3.79Å; V127-L129 HydrophobicContact CG1-CG 4.15Å; L129-C132 HydrophobicContact CB-CB 4.31Å; L129-M137 HydrophobicContact CB-CG 4.18Å; L129-M137 HydrophobicContact CD1-CB 4.17Å; L129-M137 HydrophobicContact CD1-CG 3.91Å; L129-V140 HydrophobicContact CD1-CB 3.92Å; L129-V140 HydrophobicContact CD1-CG1 3.99Å; L129-V140 HydrophobicContact CD1-CG2 4.47Å; L129-V140 HydrophobicContact CD2-CG1 4.5Å; L129-F152 PolarHBondContact N-O 3.17Å; L129-C153 CarbonylContact O-C 3.56Å; L129-C153 VanDerWaalsContact O-CA 3.3Å; L129-C153 WeakPolarHBondContact O-CA 3.42Å; L129-G154 PolarHBondContact O-N 2.88Å
130T98.5Very high98.3Very high7 Ų729.6 Ų29.64%0.04316%0.156CC..  trans-132.4148.817473.10000108.8L39 A40 G41 L45 C132 G154L39-T130 HydrophobicContact CD1-CG2 4.21Å; A40-T130 PolarHBondContact O-N 2.79Å; A40-T130 PolarHBondContact O-OG1 3.5Å; A40-T130 VanDerWaalsContact O-OG1 3.06Å; G41-T130 VanDerWaalsContact C-OG1 3.32Å; G41-T130 WeakPolarHBondContact CA-OG1 3.37Å; G41-T130 PolarHBondContact O-OG1 3.19Å; L45-T130 HydrophobicContact CD2-CG2 4.02Å; L45-T130 HydrophobicContact CG-CG2 4.28Å; T130-C132 PolarHBondContact O-N 3.28Å; T130-C132 VanDerWaalsContact O-N 3.08Å; T130-C132 PolarHBondContact O-SG 3.28Å; T130-G154 WeakPolarHBondContact CA-O 3.46Å; T130-G154 WeakPolarHBondContact CB-O 3.46Å; T130-G154 WeakPolarHBondContact CG2-O 3.28Å
131G96.7Very high98.3Very high49 Ų4928.2 Ų28.251%0.50515%0.15SC..SBendtrans63.813.2-177.500000114.5D155G131-D155 WeakPolarHBondContact CA-OD1 3.14Å; G131-D155 PolarHBondContact N-OD1 3.02Å
132C97.8Very high98.3Very high5 Ų531.7 Ų31.73%0.03417%0.166CC..  trans-92.4152.7-172.4-70.20000112L129 T130 L136 M137 R249L129-C132 HydrophobicContact CB-CB 4.31Å; T130-C132 PolarHBondContact O-N 3.28Å; T130-C132 VanDerWaalsContact O-N 3.08Å; T130-C132 PolarHBondContact O-SG 3.28Å; C132-L136 HydrophobicContact CB-CD2 4Å; C132-M137 HydrophobicContact CB-CG 3.71Å; C132-M137 HydrophobicContact CB-SD 4.36Å; C132-R249 WeakPolarHBondContact O-CD 3.33Å; C132-R249 PolarHBondContact O-NH1 3.25Å
133S97.3Very high98.3Very high35 Ų3529.9 Ų29.925%0.24516%0.157CC..  trans-69155172.4710000111.6D135 L136 M137S133-D135 VanDerWaalsContact C-N 3.26Å; S133-D135 PolarHBondContact O-N 2.87Å; S133-L136 PolarHBondContact O-N 2.86Å; S133-L136 WeakPolarHBondContact OG-CB 3.41Å; S133-L136 PolarHBondContact OG-N 3.28Å; S133-M137 WeakPolarHBondContact O-CG 3.43Å; S133-M137 PolarHBondContact O-N 2.93Å
134R97.9Very high98.3Very high71 Ų7125.9 Ų25.927%0.26814%0.138SC..Hα-helixtrans-53.4-45.5174.8174.8-177.7167.5178.2-3.9111.7L136 M137 V138 L219 E220R134-L136 PolarHBondContact O-N 2.91Å; R134-M137 PolarHBondContact O-N 3.38Å; R134-V138 HydrophobicContact CG-CG2 4.31Å; R134-V138 WeakPolarHBondContact O-CB 3.44Å; R134-V138 WeakPolarHBondContact O-CG2 3.39Å; R134-V138 PolarHBondContact O-N 3.43Å; R134-L219 HydrophobicContact CG-CD1 4.23Å; R134-E220 IonicContact NH2-OE1 2.7Å; R134-E220 PolarHBondContact NH2-OE1 2.88Å
135D98.1Very high98Very high110 Ų11027.5 Ų27.559%0.58815%0.15SC*.Hα-helixtrans-64.5-42.4-174.8-66.7-10.3000111.5S133 R139S133-D135 VanDerWaalsContact C-N 3.26Å; S133-D135 PolarHBondContact O-N 2.87Å; D135-R139 WeakPolarHBondContact O-CB 3.35Å; D135-R139 PolarHBondContact O-N 3.06Å
136L98.3Very high97.7Very high7 Ų732.8 Ų32.84%0.03717%0.174CC..Hα-helixtrans-64.2-47.8174.9179.468.1000111.4V113 E114 C132 S133 R134 V138 R139 V140V113-L136 HydrophobicContact CB-CD2 4.13Å; V113-L136 HydrophobicContact CG1-CD2 3.28Å; V113-L136 HydrophobicContact CG2-CD1 4.41Å; V113-L136 HydrophobicContact CG2-CD2 3.87Å; E114-L136 HydrophobicContact CG-CD1 4.29Å; E114-L136 HydrophobicContact CG-CD2 4.17Å; C132-L136 HydrophobicContact CB-CD2 4Å; S133-L136 PolarHBondContact O-N 2.86Å; S133-L136 WeakPolarHBondContact OG-CB 3.41Å; S133-L136 PolarHBondContact OG-N 3.28Å; R134-L136 PolarHBondContact O-N 2.91Å; L136-V138 VanDerWaalsContact C-N 3.3Å; L136-V138 PolarHBondContact O-N 3.36Å; L136-R139 PolarHBondContact O-N 2.99Å; L136-V140 HydrophobicContact CD1-CG2 4Å; L136-V140 HydrophobicContact CG-CG2 4.36Å; L136-V140 WeakPolarHBondContact O-CG2 3.36Å; L136-V140 PolarHBondContact O-N 3.24Å
137M98.7Very high97.6Very high1 Ų137.4 Ų37.41%0.00520%0.195CC..Hα-helixtrans-59.1-43.3179.4-69.7-171.6-71.800111.7L129 C132 S133 R134 D141 C153 L215 L246L129-M137 HydrophobicContact CB-CG 4.18Å; L129-M137 HydrophobicContact CD1-CB 4.17Å; L129-M137 HydrophobicContact CD1-CG 3.91Å; C132-M137 HydrophobicContact CB-CG 3.71Å; C132-M137 HydrophobicContact CB-SD 4.36Å; S133-M137 WeakPolarHBondContact O-CG 3.43Å; S133-M137 PolarHBondContact O-N 2.93Å; R134-M137 PolarHBondContact O-N 3.38Å; M137-D141 WeakPolarHBondContact O-CB 3.3Å; M137-D141 PolarHBondContact O-N 2.98Å; M137-C153 HydrophobicContact SD-CB 3.68Å; M137-L215 HydrophobicContact CB-CD2 3.5Å; M137-L215 VanDerWaalsContact CB-CD2 3.5Å; M137-L246 HydrophobicContact CE-CD2 3.56Å
138V98.6Very high97.4Very high18 Ų1842.8 Ų42.811%0.10922%0.224CC..Hα-helixtrans-65.1-42.8176.6167.50000111.8R134 L136 Q142 L215 K216R134-V138 HydrophobicContact CG-CG2 4.31Å; R134-V138 WeakPolarHBondContact O-CB 3.44Å; R134-V138 WeakPolarHBondContact O-CG2 3.39Å; R134-V138 PolarHBondContact O-N 3.43Å; L136-V138 VanDerWaalsContact C-N 3.3Å; L136-V138 PolarHBondContact O-N 3.36Å; V138-Q142 WeakPolarHBondContact O-CB 3.45Å; V138-Q142 VanDerWaalsContact O-CG 3.23Å; V138-Q142 WeakPolarHBondContact O-CG 3.21Å; V138-Q142 PolarHBondContact O-N 3.01Å; V138-L215 HydrophobicContact CG2-CD2 4.19Å; V138-L215 HydrophobicContact CG2-CG 4.29Å; V138-K216 HydrophobicContact CG1-CB 3.91Å; V138-K216 HydrophobicContact CG1-CD 4.43Å; V138-K216 HydrophobicContact CG1-CG 4.45Å; V138-K216 HydrophobicContact CG2-CB 4.39Å
139R98.3Very high97.3Very high101 Ų10143.4 Ų43.438%0.38123%0.227SC..Hα-helixtrans-60.2-51.9177.2175.4-172.7167-158.8-7.1111.1E114 D118 D135 L136 Q142 L143E114-R139 PolarHBondContact O-NH1 2.69Å; D118-R139 IonicContact OD1-CZ 2.74Å; D118-R139 IonicContact OD1-NE 2.99Å; D118-R139 IonicContact OD1-NH2 3.27Å; D118-R139 PolarHBondContact OD1-NH2 3.4Å; D135-R139 WeakPolarHBondContact O-CB 3.35Å; D135-R139 PolarHBondContact O-N 3.06Å; L136-R139 PolarHBondContact O-N 2.99Å; R139-Q142 PolarHBondContact O-N 3.33Å; R139-L143 PolarHBondContact O-N 3.09Å
140V98.6Very high97.3Very high0 Ų044.5 Ų44.50%023%0.232CC..Hα-helixtrans-66.1-42.2-177.2174.10000110.8F121 V127 L129 L136 Q142 L143 C144F121-V140 HydrophobicContact CD1-CG1 4Å; F121-V140 HydrophobicContact CD1-CG2 4.44Å; F121-V140 HydrophobicContact CE1-CG1 4.15Å; F121-V140 HydrophobicContact CE1-CG2 3.89Å; F121-V140 HydrophobicContact CE2-CG2 4.36Å; F121-V140 HydrophobicContact CZ-CG2 3.85Å; V127-V140 HydrophobicContact CG1-CG1 3.92Å; L129-V140 HydrophobicContact CD1-CB 3.92Å; L129-V140 HydrophobicContact CD1-CG1 3.99Å; L129-V140 HydrophobicContact CD1-CG2 4.47Å; L129-V140 HydrophobicContact CD2-CG1 4.5Å; L136-V140 HydrophobicContact CD1-CG2 4Å; L136-V140 HydrophobicContact CG-CG2 4.36Å; L136-V140 WeakPolarHBondContact O-CG2 3.36Å; L136-V140 PolarHBondContact O-N 3.24Å; V140-Q142 PolarHBondContact O-N 3Å; V140-L143 PolarHBondContact O-N 2.89Å; V140-C144 VanDerWaalsContact O-CB 3.3Å; V140-C144 WeakPolarHBondContact O-CB 3.47Å; V140-C144 PolarHBondContact O-N 3.3Å; V140-C144 PolarHBondContact O-SG 2.99Å; V140-C144 VanDerWaalsContact O-SG 3.36Å
141D98.7Very high97.4Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-56.6-47.5173.9176.969.1000112.4M137 S145 V151 N166 T214 L215M137-D141 WeakPolarHBondContact O-CB 3.3Å; M137-D141 PolarHBondContact O-N 2.98Å; D141-S145 VanDerWaalsContact O-CB 3.26Å; D141-S145 WeakPolarHBondContact O-CB 3.48Å; D141-S145 PolarHBondContact O-N 3.36Å; D141-S145 PolarHBondContact O-OG 3.31Å; D141-V151 HydrophobicContact CB-CG1 4.19Å; D141-N166 WeakPolarHBondContact OD1-CB 3.14Å; D141-N166 PolarHBondContact OD1-ND2 3.13Å; D141-T214 WeakPolarHBondContact OD2-CA 3.35Å; D141-T214 WeakPolarHBondContact OD2-CB 3.39Å; D141-L215 HydrophobicContact CB-CB 4.12Å; D141-L215 PolarHBondContact OD2-N 2.99Å
142Q97.6Very high97.5Very high73 Ų7341.9 Ų41.934%0.34121%0.206SC..Hα-helixtrans-61.8-47.2178-75.3172.14.300112V138 R139 V140 S145 Q146V138-Q142 WeakPolarHBondContact O-CB 3.45Å; V138-Q142 VanDerWaalsContact O-CG 3.23Å; V138-Q142 WeakPolarHBondContact O-CG 3.21Å; V138-Q142 PolarHBondContact O-N 3.01Å; R139-Q142 PolarHBondContact O-N 3.33Å; V140-Q142 PolarHBondContact O-N 3Å; Q142-S145 PolarHBondContact O-OG 3.05Å; Q142-Q146 WeakPolarHBondContact O-CG 3.43Å
143L98Very high97.5Very high20 Ų2041.7 Ų41.711%0.10521%0.205CC..Hα-helixtrans-58.1-57.1176.6174.566000110.8D118 F121 L122 R139 V140 S145 Q146 H147D118-L143 HydrophobicContact CB-CD1 3.98Å; D118-L143 HydrophobicContact CB-CD2 3.62Å; D118-L143 HydrophobicContact CB-CG 4.47Å; F121-L143 HydrophobicContact CB-CD2 4.17Å; F121-L143 HydrophobicContact CD2-CD2 3.91Å; F121-L143 HydrophobicContact CG-CD2 4.34Å; L122-L143 HydrophobicContact CD2-CD1 4.49Å; R139-L143 PolarHBondContact O-N 3.09Å; V140-L143 PolarHBondContact O-N 2.89Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-S145 PolarHBondContact O-N 2.6Å; L143-Q146 WeakPolarHBondContact O-CB 3.45Å; L143-Q146 PolarHBondContact O-N 3.37Å; L143-Q146 VanDerWaalsContact O-N 3.13Å; L143-H147 PolarHBondContact O-CD2 3.24Å
144C97.9Very high97.6Very high0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-61.1-35.4-176.3-73.30000113V140 Q146 H147 N148 I149 V151V140-C144 VanDerWaalsContact O-CB 3.3Å; V140-C144 WeakPolarHBondContact O-CB 3.47Å; V140-C144 PolarHBondContact O-N 3.3Å; V140-C144 PolarHBondContact O-SG 2.99Å; V140-C144 VanDerWaalsContact O-SG 3.36Å; C144-Q146 PolarHBondContact O-N 3.23Å; C144-H147 CarbonylContact O-C 3.55Å; C144-H147 PolarHBondContact O-N 3.38Å; C144-N148 PolarHBondContact O-N 2.85Å; C144-I149 HydrophobicContact CB-CB 3.77Å; C144-I149 HydrophobicContact CB-CG2 4.03Å; C144-I149 PolarHBondContact O-N 2.96Å; C144-V151 HydrophobicContact CB-CG2 3.22Å
145S92.3Very high97.6Very high42 Ų4236.9 Ų36.929%0.29418%0.182SC..Hα-helixtrans-60.4-29.5178.375.10000113.4D141 Q142 L143 H147D141-S145 VanDerWaalsContact O-CB 3.26Å; D141-S145 WeakPolarHBondContact O-CB 3.48Å; D141-S145 PolarHBondContact O-N 3.36Å; D141-S145 PolarHBondContact O-OG 3.31Å; Q142-S145 PolarHBondContact O-OG 3.05Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-S145 PolarHBondContact O-N 2.6Å; S145-H147 VanDerWaalsContact C-N 3.29Å; S145-H147 PolarHBondContact O-N 3.31Å
146Q93.5Very high97.6Very high148 Ų14831.9 Ų31.969%0.69216%0.155SC*.Hα-helixtrans-77.8-16.4178.3-62.9171.716.700112.7Q142 L143 C144Q142-Q146 WeakPolarHBondContact O-CG 3.43Å; L143-Q146 WeakPolarHBondContact O-CB 3.45Å; L143-Q146 PolarHBondContact O-N 3.37Å; L143-Q146 VanDerWaalsContact O-N 3.13Å; C144-Q146 PolarHBondContact O-N 3.23Å
147H96.1Very high97.7Very high98 Ų9831.9 Ų31.945%0.45416%0.155SC..THydrogen-bonded Turntrans-115.812.2-174.9-68.8-86.1000113.5L122 L143 C144 S145 I149L122-H147 HydrophobicContact CD2-CB 3.91Å; L143-H147 PolarHBondContact O-CD2 3.24Å; C144-H147 CarbonylContact O-C 3.55Å; C144-H147 PolarHBondContact O-N 3.38Å; S145-H147 VanDerWaalsContact C-N 3.29Å; S145-H147 PolarHBondContact O-N 3.31Å; H147-I149 HydrophobicContact CB-CD1 3.94Å; H147-I149 HydrophobicContact CB-CG1 4.11Å; H147-I149 PolarHBondContact O-N 3.48Å
148N94Very high97.6Very high112 Ų11231.9 Ų31.960%0.59916%0.155SC*.THydrogen-bonded Turntrans57.233.3-177.6-166.836.7000113.2C144C144-N148 PolarHBondContact O-N 2.85Å
149I98.5Very high97.6Very high13 Ų1335.4 Ų35.47%0.06717%0.167CC..  trans-96.8131175.2-59.8171.6000107.6L122 V127 C144 H147L122-I149 HydrophobicContact CB-CD1 4.5Å; L122-I149 HydrophobicContact CD2-CD1 3.82Å; V127-I149 HydrophobicContact CG2-CG2 3.97Å; C144-I149 HydrophobicContact CB-CB 3.77Å; C144-I149 HydrophobicContact CB-CG2 4.03Å; C144-I149 PolarHBondContact O-N 2.96Å; H147-I149 HydrophobicContact CB-CD1 3.94Å; H147-I149 HydrophobicContact CB-CG1 4.11Å; H147-I149 PolarHBondContact O-N 3.48Å
150K98.8Very high97.6Very high24 Ų2431.1 Ų31.110%0.10415%0.151CC..EExtended strand (participates in β ladder)trans-80.4131.3-174.2-53.8179.3-17370.10109.2D125 A126 V127 F152 L167 A316 L317D125-K150 PolarHBondContact O-N 3.34Å; A126-K150 CarbonylContact C-O 3.49Å; A126-K150 WeakPolarHBondContact CA-O 3.35Å; A126-K150 HydrophobicContact CB-CB 4.1Å; V127-K150 PolarHBondContact N-O 3.36Å; K150-F152 HydrophobicContact CB-CE2 3.76Å; K150-F152 HydrophobicContact CB-CZ 4.44Å; K150-L167 HydrophobicContact CB-CD2 4.02Å; K150-L167 HydrophobicContact CD-CD2 4.33Å; K150-L167 HydrophobicContact CG-CD2 4.31Å; K150-A316 HydrophobicContact CD-CB 3.61Å; K150-A316 WeakPolarHBondContact CE-O 3.36Å; K150-L317 HydrophobicContact CD-CD2 4.29Å
151V98.9Very high97.6Very high1 Ų131.4 Ų31.41%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-114.5136-179.7178.70000110.5V127 D141 C144 C165 N166V127-V151 WeakPolarHBondContact O-CA 3.17Å; D141-V151 HydrophobicContact CB-CG1 4.19Å; C144-V151 HydrophobicContact CB-CG2 3.22Å; V151-C165 CarbonylContact O-C 3.56Å; V151-C165 WeakPolarHBondContact O-CA 3.39Å; V151-N166 PolarHBondContact N-O 3.35Å; V151-N166 PolarHBondContact O-N 3.22Å
152F98.9Very high97.6Very high1 Ų131.7 Ų31.70%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-129.4135.9175.7-61-92.7000108.7A126 V127 C128 L129 K150 F164 C165 L167 L309 E312 V313 A316A126-F152 HydrophobicContact CB-CE2 4.22Å; V127-F152 PolarHBondContact O-N 3.24Å; C128-F152 CarbonylContact C-O 3.41Å; C128-F152 WeakPolarHBondContact CA-O 3.32Å; C128-F152 HydrophobicContact CB-CB 4.49Å; L129-F152 PolarHBondContact N-O 3.17Å; K150-F152 HydrophobicContact CB-CE2 3.76Å; K150-F152 HydrophobicContact CB-CZ 4.44Å; F152-F164 VanDerWaalsContact CA-O 3.3Å; F152-F164 WeakPolarHBondContact CA-O 3.32Å; F152-C165 HydrophobicContact CD1-CB 3.54Å; F152-C165 HydrophobicContact CE1-CB 3.56Å; F152-C165 HydrophobicContact CG-CB 4.48Å; F152-L167 HydrophobicContact CE1-CD2 4.01Å; F152-L167 HydrophobicContact CE2-CD2 4.17Å; F152-L167 HydrophobicContact CZ-CD2 3.52Å; F152-L309 HydrophobicContact CB-CD1 3.82Å; F152-L309 HydrophobicContact CD1-CD1 3.99Å; F152-L309 HydrophobicContact CG-CD1 4.27Å; F152-E312 HydrophobicContact CE1-CB 4.1Å; F152-V313 HydrophobicContact CB-CG2 4.42Å; F152-V313 HydrophobicContact CD1-CG2 3.92Å; F152-V313 HydrophobicContact CD2-CG2 3.68Å; F152-V313 HydrophobicContact CE1-CG2 4.04Å; F152-V313 HydrophobicContact CE2-CB 4.32Å; F152-V313 HydrophobicContact CE2-CG1 4.49Å; F152-V313 HydrophobicContact CE2-CG2 3.8Å; F152-V313 HydrophobicContact CG-CG2 3.74Å; F152-V313 HydrophobicContact CZ-CB 4.33Å; F152-V313 HydrophobicContact CZ-CG2 3.98Å; F152-A316 HydrophobicContact CZ-CB 3.79Å
153C98.9Very high97.7Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-125.2147.4171.9-56.80000108.4L129 M137 M163 F164L129-C153 CarbonylContact O-C 3.56Å; L129-C153 VanDerWaalsContact O-CA 3.3Å; L129-C153 WeakPolarHBondContact O-CA 3.42Å; M137-C153 HydrophobicContact SD-CB 3.68Å; C153-M163 CarbonylContact O-C 3.57Å; C153-M163 VanDerWaalsContact O-CA 3.22Å; C153-M163 WeakPolarHBondContact O-CA 3.3Å; C153-F164 HydrophobicContact CB-CB 4.22Å; C153-F164 HydrophobicContact CB-CD1 4.44Å; C153-F164 PolarHBondContact N-O 3.11Å; C153-F164 PolarHBondContact O-N 2.78Å
154G98.6Very high97.7Very high0 Ų027.2 Ų27.20%013%0.134CC..EExtended strand (participates in β ladder)trans-170.1151.9172.800000112.2L45 L129 T130 Y162L45-G154 VanDerWaalsContact CD2-C 3.43Å; L45-G154 WeakPolarHBondContact CD2-O 3.28Å; L129-G154 PolarHBondContact O-N 2.88Å; T130-G154 WeakPolarHBondContact CA-O 3.46Å; T130-G154 WeakPolarHBondContact CB-O 3.46Å; T130-G154 WeakPolarHBondContact CG2-O 3.28Å; G154-Y162 WeakPolarHBondContact CA-O 3.37Å
155D98.8Very high97.8Very high6 Ų627.2 Ų27.23%0.03213%0.134CC..EExtended strand (participates in β ladder)trans-147.5165.6175.1-72.6-63.9000110.3G131 Y157 G161 Y162 R249G131-D155 WeakPolarHBondContact CA-OD1 3.14Å; G131-D155 PolarHBondContact N-OD1 3.02Å; D155-Y157 HydrophobicContact CB-CD2 4.12Å; D155-Y157 HydrophobicContact CB-CE2 3.36Å; D155-Y157 PolarHBondContact OD2-OH 2.83Å; D155-Y157 VanDerWaalsContact OD2-OH 3.1Å; D155-G161 WeakPolarHBondContact O-CA 3.37Å; D155-Y162 HydrophobicContact CB-CD1 4.24Å; D155-Y162 HydrophobicContact CB-CE1 3.7Å; D155-Y162 PolarHBondContact N-O 3.01Å; D155-Y162 PolarHBondContact O-N 3.16Å; D155-R249 IonicContact OD1-CZ 3.98Å; D155-R249 IonicContact OD1-NH1 3.52Å; D155-R249 PolarHBondContact OD1-NH1 3.15Å; D155-R249 IonicContact OD1-NH2 3.15Å; D155-R249 PolarHBondContact OD1-NH2 2.98Å; D155-R249 IonicContact OD2-CZ 2.63Å; D155-R249 IonicContact OD2-NH1 2.86Å; D155-R249 PolarHBondContact OD2-NH1 3.37Å; D155-R249 IonicContact OD2-NH2 2.68Å; D155-R249 PolarHBondContact OD2-NH2 3.5Å
156V98.7Very high98.1Very high5 Ų525.4 Ų25.43%0.0312%0.121CC..EExtended strand (participates in β ladder)trans-121.2134.1171171.30000108.7L45 Y160 E297 V301 V305L45-V156 HydrophobicContact CB-CG2 4.28Å; L45-V156 HydrophobicContact CD1-CG2 4.43Å; L45-V156 HydrophobicContact CD2-CG2 4.4Å; V156-Y160 WeakPolarHBondContact CA-O 3.21Å; V156-E297 HydrophobicContact CB-CG 4.38Å; V156-V301 HydrophobicContact CB-CG1 4.39Å; V156-V301 HydrophobicContact CG1-CB 3.8Å; V156-V301 HydrophobicContact CG1-CG1 3.6Å; V156-V301 HydrophobicContact CG2-CG1 3.98Å; V156-V305 HydrophobicContact CG2-CB 4.2Å; V156-V305 HydrophobicContact CG2-CG2 4.22Å
157Y98.4Very high98.3Very high6 Ų618.5 Ų18.52%0.0249%0.088CC..EExtended strand (participates in β ladder)trans-134.297.6176.5-56-87.3000108.1D155 Y159 Y160 Y162 L245 R249 D255 C294D155-Y157 HydrophobicContact CB-CD2 4.12Å; D155-Y157 HydrophobicContact CB-CE2 3.36Å; D155-Y157 PolarHBondContact OD2-OH 2.83Å; D155-Y157 VanDerWaalsContact OD2-OH 3.1Å; Y157-Y159 PolarHBondContact O-N 3.14Å; Y157-Y160 PolarHBondContact N-O 3.04Å; Y157-Y160 WeakPolarHBondContact O-CB 3.16Å; Y157-Y160 WeakPolarHBondContact O-CD2 3.42Å; Y157-Y160 PolarHBondContact O-N 3.48Å; Y157-Y162 HydrophobicContact CE2-CD1 4.39Å; Y157-Y162 HydrophobicContact CE2-CE1 4.17Å; Y157-L245 HydrophobicContact CD1-CB 4.38Å; Y157-L245 HydrophobicContact CD1-CD1 4.06Å; Y157-L245 HydrophobicContact CD1-CD2 4.07Å; Y157-L245 HydrophobicContact CD1-CG 4.4Å; Y157-L245 HydrophobicContact CD2-CD1 3.59Å; Y157-L245 HydrophobicContact CE1-CB 4.12Å; Y157-L245 HydrophobicContact CE2-CB 4.28Å; Y157-L245 HydrophobicContact CE2-CD1 4.1Å; Y157-L245 HydrophobicContact CG-CD1 3.56Å; Y157-L245 HydrophobicContact CG-CD2 4.33Å; Y157-L245 HydrophobicContact CG-CG 4.38Å; Y157-R249 VanDerWaalsContact OH-CZ 3.24Å; Y157-R249 PolarHBondContact OH-NH1 2.81Å; Y157-R249 PolarHBondContact OH-NH2 2.94Å; Y157-R249 VanDerWaalsContact OH-NH2 3.1Å; Y157-D255 HydrophobicContact CE1-CB 4.46Å; Y157-C294 WeakPolarHBondContact O-CA 3.44Å
158G97.9Very high98.3Very high1 Ų114.3 Ų14.31%0.017%0.071CC..BIsolated β-bridgetrans55.4-116.1-17300000112.2Y160 Y293 F295 S296 M298 V301G158-Y160 VanDerWaalsContact C-N 3.29Å; G158-Y293 CarbonylContact C-O 3.28Å; G158-Y293 VanDerWaalsContact CA-O 3.31Å; G158-Y293 WeakPolarHBondContact CA-O 3.24Å; G158-F295 WeakPolarHBondContact CA-O 3.4Å; G158-F295 PolarHBondContact N-O 3.4Å; G158-S296 WeakPolarHBondContact CA-O 3.11Å; G158-S296 PolarHBondContact N-O 2.91Å; G158-M298 WeakPolarHBondContact O-CB 3.38Å; G158-M298 WeakPolarHBondContact O-CG 3.34Å; G158-V301 WeakPolarHBondContact O-CG2 3.38Å
159Y98.5Very high98.2Very high92 Ų9215 Ų1536%0.3617%0.071SC..THydrogen-bonded Turntrans-81.5-8.4178-74.5-93000113.6Y157 Y293 M298 G332 R333Y157-Y159 PolarHBondContact O-N 3.14Å; Y159-Y293 HydrophobicContact CD2-CD1 4.01Å; Y159-Y293 HydrophobicContact CE2-CD1 4.28Å; Y159-Y293 PolarHBondContact N-O 3.29Å; Y159-M298 HydrophobicContact CD1-SD 4.02Å; Y159-M298 HydrophobicContact CD2-SD 3.51Å; Y159-M298 VanDerWaalsContact CD2-SD 3.51Å; Y159-M298 HydrophobicContact CE1-CE 4.05Å; Y159-M298 HydrophobicContact CE1-SD 3.91Å; Y159-M298 HydrophobicContact CE2-CE 3.9Å; Y159-M298 HydrophobicContact CE2-SD 3.38Å; Y159-M298 WeakPolarHBondContact CE2-SD 3.2Å; Y159-M298 HydrophobicContact CG-SD 3.84Å; Y159-M298 VanDerWaalsContact CZ-SD 3.59Å; Y159-G332 PolarHBondContact O-N 2.94Å; Y159-R333 HydrophobicContact CD1-CG 4.09Å; Y159-R333 HydrophobicContact CG-CG 3.9Å
160Y98.8Very high98Very high11 Ų1121.2 Ų21.24%0.04310%0.1CC..EExtended strand (participates in β ladder)trans-100.5153.4-178.5-53.3-80.8000111.3V156 Y157 G158 D238 L241 F290 Y293 C294 F330 D331 R333V156-Y160 WeakPolarHBondContact CA-O 3.21Å; Y157-Y160 PolarHBondContact N-O 3.04Å; Y157-Y160 WeakPolarHBondContact O-CB 3.16Å; Y157-Y160 WeakPolarHBondContact O-CD2 3.42Å; Y157-Y160 PolarHBondContact O-N 3.48Å; G158-Y160 VanDerWaalsContact C-N 3.29Å; Y160-D238 WeakPolarHBondContact CD1-OD1 3.3Å; Y160-L241 HydrophobicContact CD1-CD2 3.6Å; Y160-L241 HydrophobicContact CD2-CD2 3.54Å; Y160-L241 HydrophobicContact CE1-CD2 3.79Å; Y160-L241 HydrophobicContact CE2-CD2 3.72Å; Y160-L241 HydrophobicContact CG-CD2 3.44Å; Y160-L241 VanDerWaalsContact CG-CD2 3.44Å; Y160-F290 WeakPolarHBondContact OH-CA 3.4Å; Y160-Y293 WeakPolarHBondContact CD2-O 3.42Å; Y160-C294 HydrophobicContact CD2-CB 3.98Å; Y160-C294 HydrophobicContact CE2-CB 4.13Å; Y160-F330 CarbonylContact C-O 3.53Å; Y160-F330 VanDerWaalsContact CA-O 3.28Å; Y160-F330 WeakPolarHBondContact CA-O 3.17Å; Y160-D331 HydrophobicContact CD1-CB 4.24Å; Y160-D331 HydrophobicContact CE1-CB 4.32Å; Y160-R333 PolarHBondContact OH-NE 2.89Å; Y160-R333 PolarHBondContact OH-NH1 3.42Å; Y160-R333 PolarHBondContact OH-NH2 3.19Å
161G98.8Very high97.9Very high6 Ų620.3 Ų20.36%0.06210%0.096CC..EExtended strand (participates in β ladder)trans-160.4165.516300000111.7D155 F330D155-G161 WeakPolarHBondContact O-CA 3.37Å; G161-F330 PolarHBondContact N-O 3.24Å; G161-F330 PolarHBondContact O-N 2.89Å
162Y98.9Very high97.8Very high6 Ų624 Ų242%0.02412%0.115CC..EExtended strand (participates in β ladder)trans-140.8159.4179.182.7-80.1000111.3G154 D155 Y157 F164 L242 F327 F328G154-Y162 WeakPolarHBondContact CA-O 3.37Å; D155-Y162 HydrophobicContact CB-CD1 4.24Å; D155-Y162 HydrophobicContact CB-CE1 3.7Å; D155-Y162 PolarHBondContact N-O 3.01Å; D155-Y162 PolarHBondContact O-N 3.16Å; Y157-Y162 HydrophobicContact CE2-CD1 4.39Å; Y157-Y162 HydrophobicContact CE2-CE1 4.17Å; Y162-F164 HydrophobicContact CE2-CB 4.41Å; Y162-L242 HydrophobicContact CD1-CD1 3.57Å; Y162-L242 HydrophobicContact CD2-CD1 4.3Å; Y162-L242 HydrophobicContact CD2-CD2 3.92Å; Y162-L242 HydrophobicContact CE1-CD1 3.24Å; Y162-L242 HydrophobicContact CE2-CD1 4.07Å; Y162-L242 HydrophobicContact CE2-CD2 3.98Å; Y162-L242 HydrophobicContact CG-CD1 4.08Å; Y162-L242 HydrophobicContact CG-CD2 4.21Å; Y162-F327 HydrophobicContact CD2-CD1 4.04Å; Y162-F327 AromaticContact CD2-CE1 3.84Å; Y162-F327 HydrophobicContact CD2-CE1 3.84Å; Y162-F327 HydrophobicContact CE2-CE1 4.09Å; Y162-F328 CarbonylContact C-O 3.57Å; Y162-F328 WeakPolarHBondContact CA-O 3.33Å
163M98.7Very high97.7Very high0 Ų025 Ų250%012%0.12CC..EExtended strand (participates in β ladder)trans-131152155.861.6140.2-70.800110.6C153 C165 V308 L309 E312 F327 F328C153-M163 CarbonylContact O-C 3.57Å; C153-M163 VanDerWaalsContact O-CA 3.22Å; C153-M163 WeakPolarHBondContact O-CA 3.3Å; M163-C165 HydrophobicContact CE-CB 3.83Å; M163-V308 HydrophobicContact CG-CG1 4.47Å; M163-V308 HydrophobicContact SD-CG1 4Å; M163-L309 HydrophobicContact CB-CB 4.45Å; M163-L309 HydrophobicContact CB-CD1 3.87Å; M163-L309 HydrophobicContact SD-CD1 4.41Å; M163-E312 HydrophobicContact CE-CB 4.49Å; M163-E312 HydrophobicContact CE-CG 4.35Å; M163-E312 HydrophobicContact SD-CB 4.2Å; M163-E312 HydrophobicContact SD-CG 3.76Å; M163-F327 CarbonylContact O-C 3.42Å; M163-F327 VanDerWaalsContact O-CA 3.27Å; M163-F327 WeakPolarHBondContact O-CA 3.43Å; M163-F327 WeakPolarHBondContact O-CD1 3.44Å; M163-F328 HydrophobicContact CG-CB 3.57Å; M163-F328 HydrophobicContact CG-CD1 3.87Å; M163-F328 HydrophobicContact CG-CG 4.16Å; M163-F328 PolarHBondContact N-O 3.35Å; M163-F328 PolarHBondContact O-N 3.14Å; M163-F328 HydrophobicContact SD-CB 4.17Å
164F98.9Very high97.6Very high0 Ų026.4 Ų26.40%013%0.128CC..EExtended strand (participates in β ladder)trans-122.4147167.9169.1-98.8000108.8F152 C153 Y162 N166 L215 A218 N326 F327F152-F164 VanDerWaalsContact CA-O 3.3Å; F152-F164 WeakPolarHBondContact CA-O 3.32Å; C153-F164 HydrophobicContact CB-CB 4.22Å; C153-F164 HydrophobicContact CB-CD1 4.44Å; C153-F164 PolarHBondContact N-O 3.11Å; C153-F164 PolarHBondContact O-N 2.78Å; Y162-F164 HydrophobicContact CE2-CB 4.41Å; F164-N166 HydrophobicContact CE1-CB 3.74Å; F164-N166 HydrophobicContact CZ-CB 3.84Å; F164-L215 HydrophobicContact CB-CD1 4.35Å; F164-L215 HydrophobicContact CD1-CB 4.24Å; F164-L215 HydrophobicContact CD1-CD1 3.8Å; F164-L215 HydrophobicContact CD1-CG 4.47Å; F164-L215 HydrophobicContact CD2-CD1 3.89Å; F164-L215 HydrophobicContact CE1-CB 3.66Å; F164-L215 HydrophobicContact CE1-CD1 4.02Å; F164-L215 HydrophobicContact CE1-CG 4.36Å; F164-L215 HydrophobicContact CE2-CB 4.47Å; F164-L215 HydrophobicContact CE2-CD1 4.06Å; F164-L215 HydrophobicContact CG-CD1 3.73Å; F164-L215 VanDerWaalsContact CZ-CA 3.46Å; F164-L215 HydrophobicContact CZ-CB 3.79Å; F164-L215 HydrophobicContact CZ-CD1 4.14Å; F164-A218 HydrophobicContact CD2-CB 4.46Å; F164-A218 HydrophobicContact CE2-CB 3.76Å; F164-N326 CarbonylContact C-O 3.49Å; F164-N326 VanDerWaalsContact CA-O 3.31Å; F164-N326 WeakPolarHBondContact CA-O 3.33Å; F164-N326 HydrophobicContact CD2-CB 4.48Å; F164-N326 HydrophobicContact CE2-CB 4.28Å; F164-N326 WeakPolarHBondContact CE2-ND2 3.45Å; F164-F327 HydrophobicContact CB-CD1 3.96Å; F164-F327 HydrophobicContact CB-CE1 3.6Å; F164-F327 HydrophobicContact CB-CZ 3.97Å; F164-F327 HydrophobicContact CD2-CD1 4.37Å; F164-F327 AromaticContact CD2-CD2 3.87Å; F164-F327 HydrophobicContact CD2-CD2 3.87Å; F164-F327 HydrophobicContact CD2-CE1 4Å; F164-F327 AromaticContact CD2-CE2 3.47Å; F164-F327 HydrophobicContact CD2-CE2 3.47Å; F164-F327 VanDerWaalsContact CD2-CE2 3.47Å; F164-F327 HydrophobicContact CD2-CG 4.32Å; F164-F327 AromaticContact CD2-CZ 3.53Å; F164-F327 HydrophobicContact CD2-CZ 3.53Å; F164-F327 HydrophobicContact CE2-CE2 4.07Å; F164-F327 HydrophobicContact CE2-CZ 4.39Å; F164-F327 HydrophobicContact CG-CE1 4.21Å; F164-F327 HydrophobicContact CG-CE2 4.43Å; F164-F327 HydrophobicContact CG-CZ 4.07Å
165C98.4Very high97.3Very high0 Ų028.6 Ų28.60%014%0.138CC..EExtended strand (participates in β ladder)trans-135.7142.1167.163.60000113.1V151 F152 M163 L167 F212 H324 N326V151-C165 CarbonylContact O-C 3.56Å; V151-C165 WeakPolarHBondContact O-CA 3.39Å; F152-C165 HydrophobicContact CD1-CB 3.54Å; F152-C165 HydrophobicContact CE1-CB 3.56Å; F152-C165 HydrophobicContact CG-CB 4.48Å; M163-C165 HydrophobicContact CE-CB 3.83Å; C165-L167 HydrophobicContact CB-CD2 4.25Å; C165-F212 WeakPolarHBondContact O-CD1 3.31Å; C165-F212 VanDerWaalsContact SG-CE1 3.59Å; C165-H324 PolarHBondContact SG-O 3.08Å; C165-N326 PolarHBondContact N-O 3.14Å; C165-N326 WeakPolarHBondContact O-CB 3.35Å
166N98.6Very high96.8Very high4 Ų432.1 Ų32.12%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-126.5111.9167.3178.77.4000108.9D141 V151 F164 G168 F212D141-N166 WeakPolarHBondContact OD1-CB 3.14Å; D141-N166 PolarHBondContact OD1-ND2 3.13Å; V151-N166 PolarHBondContact N-O 3.35Å; V151-N166 PolarHBondContact O-N 3.22Å; F164-N166 HydrophobicContact CE1-CB 3.74Å; F164-N166 HydrophobicContact CZ-CB 3.84Å; N166-G168 PolarHBondContact OD1-N 2.97Å; N166-F212 WeakPolarHBondContact OD1-CB 3.23Å
167L98.4Very high96.3Very high3 Ų335.8 Ų35.82%0.01617%0.17CC..  trans-104.511.2-177.9-46.4-175.5000112.7K150 F152 C165 H171 F212 A316 P323K150-L167 HydrophobicContact CB-CD2 4.02Å; K150-L167 HydrophobicContact CD-CD2 4.33Å; K150-L167 HydrophobicContact CG-CD2 4.31Å; F152-L167 HydrophobicContact CE1-CD2 4.01Å; F152-L167 HydrophobicContact CE2-CD2 4.17Å; F152-L167 HydrophobicContact CZ-CD2 3.52Å; C165-L167 HydrophobicContact CB-CD2 4.25Å; L167-H171 HydrophobicContact CB-CB 3.78Å; L167-F212 HydrophobicContact CB-CD2 3.66Å; L167-F212 HydrophobicContact CB-CE2 3.77Å; L167-F212 HydrophobicContact CB-CG 4.13Å; L167-F212 HydrophobicContact CB-CZ 4.3Å; L167-F212 HydrophobicContact CD1-CD2 4.44Å; L167-F212 HydrophobicContact CD1-CE1 4.26Å; L167-F212 HydrophobicContact CD1-CE2 3.72Å; L167-F212 HydrophobicContact CD1-CZ 3.62Å; L167-F212 HydrophobicContact CG-CD1 4.33Å; L167-F212 HydrophobicContact CG-CD2 4.08Å; L167-F212 HydrophobicContact CG-CE1 4.09Å; L167-F212 HydrophobicContact CG-CE2 3.83Å; L167-F212 HydrophobicContact CG-CG 4.33Å; L167-F212 HydrophobicContact CG-CZ 3.84Å; L167-A316 HydrophobicContact CD1-CB 3.83Å; L167-A316 HydrophobicContact CD2-CB 3.75Å; L167-A316 HydrophobicContact CG-CB 4.43Å; L167-P323 HydrophobicContact CD1-CB 3.61Å; L167-P323 HydrophobicContact CD1-CG 3.67Å
168G95.2Very high95.5Very high9 Ų939.1 Ų39.19%0.09319%0.192CC..  trans89.5176.3-177.800000114.3N166 E170 F212N166-G168 PolarHBondContact OD1-N 2.97Å; G168-E170 VanDerWaalsContact C-N 3.28Å; G168-E170 PolarHBondContact O-N 2.73Å; G168-F212 PolarHBondContact O-N 2.79Å
169Q92.1Very high94.6Very high127 Ų12742.9 Ų42.959%0.59321%0.208SC*.SBendtrans-68.4-26.6-179.6-69.5-60.3-36.500113.3S211 F212Q169-S211 VanDerWaalsContact O-CA 3.26Å; Q169-S211 WeakPolarHBondContact O-CA 3.42Å; Q169-S211 WeakPolarHBondContact O-CB 2.96Å; Q169-S211 PolarHBondContact O-OG 2.92Å; Q169-S211 PolarHBondContact OE1-OG 2.94Å; Q169-F212 PolarHBondContact NE2-O 3.39Å; Q169-F212 VanDerWaalsContact NE2-O 3.13Å
170E94.4Very high93.5Very high144 Ų14443.9 Ų43.967%0.67322%0.219SC*.  trans-135.178.8-178-65.5-172.117400110.9G168 N172 T209G168-E170 VanDerWaalsContact C-N 3.28Å; G168-E170 PolarHBondContact O-N 2.73Å; E170-N172 PolarHBondContact O-N 3.01Å; E170-T209 HydrophobicContact CB-CG2 4.26Å
171H97.2Very high92.2Very high5 Ų546.4 Ų46.42%0.02324%0.236CC..EExtended strand (participates in β ladder)trans-86.3106.1171.5-171.968.6000110.8L167 T209 A210 F212 A316L167-H171 HydrophobicContact CB-CB 3.78Å; H171-T209 CarbonylContact O-C 3.46Å; H171-T209 VanDerWaalsContact O-CA 3.31Å; H171-T209 WeakPolarHBondContact O-CA 3.47Å; H171-A210 WeakPolarHBondContact CB-O 3.31Å; H171-A210 PolarHBondContact N-O 3.35Å; H171-A210 PolarHBondContact O-N 3.03Å; H171-F212 HydrophobicContact CB-CD2 4.31Å; H171-F212 HydrophobicContact CB-CE2 4.12Å; H171-A316 PolarHBondContact CE1-O 3.38Å
172N97.4Very high90.2Very high77 Ų7754.8 Ų54.841%0.41227%0.271SS..EExtended strand (participates in β ladder)trans-88.4130.3176.9-64.2-62.4000111E170 K208 T209 Q319E170-N172 PolarHBondContact O-N 3.01Å; N172-K208 WeakPolarHBondContact CA-O 3.34Å; N172-T209 WeakPolarHBondContact OD1-CG2 3.18Å; N172-T209 PolarHBondContact OD1-OG1 2.86Å; N172-Q319 WeakPolarHBondContact O-CB 3.46Å; N172-Q319 WeakPolarHBondContact O-CG 3.46Å
173Y97.1Very high88.1Confident24 Ų2457.8 Ų57.89%0.09429%0.291CS..EExtended strand (participates in β ladder)trans-142.7164.4177.366.4-83.4000111.4E175 K208 A210 Q319 D321 A322Y173-E175 HydrophobicContact CE2-CB 4.25Å; Y173-K208 HydrophobicContact CD1-CB 4.26Å; Y173-K208 HydrophobicContact CD2-CB 4.27Å; Y173-K208 HydrophobicContact CE1-CB 3.73Å; Y173-K208 HydrophobicContact CE2-CB 3.74Å; Y173-K208 HydrophobicContact CE2-CD 3.77Å; Y173-K208 HydrophobicContact CE2-CG 4.35Å; Y173-K208 VanDerWaalsContact CZ-CB 3.46Å; Y173-K208 PolarHBondContact N-O 3.36Å; Y173-K208 PolarHBondContact O-N 2.96Å; Y173-K208 VanDerWaalsContact O-O 3.14Å; Y173-K208 WeakPolarHBondContact OH-CD 3.35Å; Y173-A210 HydrophobicContact CE1-CB 4.03Å; Y173-Q319 VanDerWaalsContact CA-O 3.31Å; Y173-Q319 WeakPolarHBondContact CA-O 3.48Å; Y173-D321 WeakPolarHBondContact CD2-O 3.42Å; Y173-A322 VanDerWaalsContact CE2-CA 3.5Å; Y173-A322 HydrophobicContact CE2-CB 3.81Å
174V95.4Very high85.9Confident29 Ų2963.8 Ų63.818%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-109.8137.7172-67.60000110.5M205 V206 K207 Q319 R320 D321V174-M205 HydrophobicContact CB-CE 3.7Å; V174-M205 HydrophobicContact CG2-CE 3.33Å; V174-V206 WeakPolarHBondContact CA-O 3.46Å; V174-K207 HydrophobicContact CG1-CG 4.05Å; V174-Q319 WeakPolarHBondContact CG2-O 3.44Å; V174-Q319 PolarHBondContact N-O 3.43Å; V174-R320 HydrophobicContact CG2-CB 4.34Å; V174-R320 HydrophobicContact CG2-CG 4.41Å; V174-D321 PolarHBondContact O-N 2.87Å
175E93.3Very high83.6Confident45 Ų4569.2 Ų69.221%0.2137%0.365CS..EExtended strand (participates in β ladder)trans-122.9134.1174.3-172.6-173.1-128.200109Y173 K177 V206 K208Y173-E175 HydrophobicContact CE2-CB 4.25Å; E175-K177 WeakPolarHBondContact OE2-CE 3.45Å; E175-K177 IonicContact OE2-NZ 3.65Å; E175-V206 PolarHBondContact N-O 3.43Å; E175-V206 PolarHBondContact O-N 2.85Å; E175-K208 HydrophobicContact CB-CD 4.45Å; E175-K208 IonicContact OE1-NZ 2.81Å; E175-K208 WeakPolarHBondContact OE2-CE 3.35Å; E175-K208 IonicContact OE2-NZ 3.6Å; E175-K208 PolarHBondContact OE2-NZ 2.79Å
176E88.4Confident81.4Confident80 Ų8076.3 Ų76.337%0.37440%0.404SS..EExtended strand (participates in β ladder)trans-80124176.3-168.2166.9172.600109.8T203 M205 R320E176-T203 HydrophobicContact CG-CG2 3.94Å; E176-T203 WeakPolarHBondContact OE1-CB 3.38Å; E176-T203 VanDerWaalsContact OE1-CG2 3.3Å; E176-T203 WeakPolarHBondContact OE1-CG2 3.31Å; E176-T203 PolarHBondContact OE1-OG1 3.45Å; E176-M205 HydrophobicContact CB-SD 3.88Å; E176-M205 HydrophobicContact CG-SD 4.14Å; E176-R320 IonicContact OE2-CZ 3.79Å; E176-R320 IonicContact OE2-NH1 3.17Å; E176-R320 IonicContact OE2-NH2 3.48Å; E176-R320 PolarHBondContact OE2-NH2 2.6Å
177K86.5Confident78.8Confident82 Ų8280.3 Ų80.336%0.35743%0.432SS..EExtended strand (participates in β ladder)trans-122.9146.4177.5-70.1-169.7175.9-174.50111E175 K179 T203 T204 V206E175-K177 WeakPolarHBondContact OE2-CE 3.45Å; E175-K177 IonicContact OE2-NZ 3.65Å; K177-K179 PolarHBondContact O-N 2.82Å; K177-T203 CarbonylContact O-C 3.55Å; K177-T203 WeakPolarHBondContact O-CA 3.18Å; K177-T204 PolarHBondContact N-O 2.83Å; K177-T204 PolarHBondContact O-N 3.26Å; K177-V206 HydrophobicContact CB-CG2 4.37Å; K177-V206 HydrophobicContact CD-CG2 4.14Å; K177-V206 HydrophobicContact CG-CG2 4.38Å
178P82.9Confident76.4Confident76 Ų7685.3 Ų85.349%0.49447%0.467SS..EExtended strand (participates in β ladder)trans-55135169.8-24.934.5000111L180 V198P178-L180 PolarHBondContact O-N 2.88Å; P178-V198 HydrophobicContact CB-CG1 3.38Å; P178-V198 HydrophobicContact CG-CG1 4.37Å
179K79.1Confident74Confident80 Ų8092.5 Ų92.535%0.34850%0.503SS..EExtended strand (participates in β ladder)trans-69.3132.6-178.5-169.8178.6179.8-178.10109.8K177 D199 E202 T204K177-K179 PolarHBondContact O-N 2.82Å; K179-D199 PolarHBondContact O-N 3.19Å; K179-E202 HydrophobicContact CB-CB 3.96Å; K179-E202 WeakPolarHBondContact CB-O 3.31Å; K179-E202 HydrophobicContact CD-CB 3.83Å; K179-E202 WeakPolarHBondContact CD-OE2 3.34Å; K179-E202 WeakPolarHBondContact CE-OE2 3.28Å; K179-E202 PolarHBondContact N-O 3.13Å; K179-E202 IonicContact NZ-OE2 2.86Å; K179-E202 PolarHBondContact NZ-OE2 3.44Å; K179-T204 HydrophobicContact CB-CG2 4.1Å; K179-T204 HydrophobicContact CD-CG2 4.15Å; K179-T204 HydrophobicContact CG-CG2 3.8Å
180L75.4Confident72.1Confident113 Ų11389.6 Ų89.659%0.59251%0.507SS*.EExtended strand (participates in β ladder)trans-87.8116.7173.2-65.6172.5000109.3P178 A196 V198P178-L180 PolarHBondContact O-N 2.88Å; L180-A196 HydrophobicContact CB-CB 4.36Å; L180-A196 HydrophobicContact CD2-CB 4.3Å; L180-V198 HydrophobicContact CD2-CG2 3.83Å
181V70.2Confident69.9Low65 Ų6589.5 Ų89.539%0.39452%0.519SS..EExtended strand (participates in β ladder)trans-86.7117.2172.2-174.40000108.1K197 D199V181-K197 PolarHBondContact N-O 2.74Å; V181-K197 PolarHBondContact O-N 2.96Å; V181-D199 HydrophobicContact CG2-CB 3.72Å
182K57.9Low67.8Low182 Ų18297.5 Ų97.579%0.79156%0.556SS**PPolyproline II helixtrans-68.4132.9169.9-70.5-175.5179.6179.20108.4T184K182-T184 PolarHBondContact O-N 3.07Å
183P55.3Low65.7Low68 Ų6898.8 Ų98.844%0.44258%0.578SS.*PPolyproline II helixtrans-60.7129.1174.620-24.8000109.5S185 K194P183-S185 PolarHBondContact O-N 3.37Å; P183-K194 HydrophobicContact CG-CB 4.01Å
184T51.7Low63.9Low126 Ų126104.5 Ų104.577%0.77360%0.603SS**PPolyproline II helixtrans-60122.817039.10000108.8K182 D186K182-T184 PolarHBondContact O-N 3.07Å; T184-D186 VanDerWaalsContact C-N 3.28Å; T184-D186 PolarHBondContact O-N 3.3Å
185S51.5Low62Low114 Ų114112.4 Ų112.480%0.79764%0.635SS**  trans-81.471.2-178.457.20000110.8P183P183-S185 PolarHBondContact O-N 3.37Å
186D50.5Low60.7Low150 Ų150112.6 Ų112.680%0.80265%0.645SS**  trans-122.666.4167.6-75.7-30.8000109.8T184T184-D186 VanDerWaalsContact C-N 3.28Å; T184-D186 PolarHBondContact O-N 3.3Å
187S45.7Very low59.7Low88 Ų88116.8 Ų116.862%0.61566%0.661SS**  trans-175.4121.4146.650.20000110.6D189S187-D189 PolarHBondContact O-N 3.39Å
188S46.5Very low59Low107 Ų107116.9 Ų116.975%0.74867%0.669SS**  trans-61.8113.9162.449.50000109.3
189D46Very low58.3Low161 Ų161115.4 Ų115.486%0.86166%0.657SS**  trans168.9123.7135.2-83.8-21.7000111.1S187S187-D189 PolarHBondContact O-N 3.39Å
190G51.3Low57.7Low65 Ų65116.9 Ų116.967%0.6768%0.675SS**  trans103.7135.2160.800000117.5E192G190-E192 PolarHBondContact O-N 2.94Å; G190-E192 VanDerWaalsContact O-N 3.1Å
191P49.5Very low57.6Low142 Ų142118.7 Ų118.792%0.92269%0.685SS**  trans-84.876.9176.535.8-31.2000110.3
192E53Low58.1Low173 Ų173119.9 Ų119.981%0.80869%0.686SS**  trans-121.6122.2163-75.3-171.7165.900108.9G190 K194G190-E192 PolarHBondContact O-N 2.94Å; G190-E192 VanDerWaalsContact O-N 3.1Å; E192-K194 VanDerWaalsContact C-N 3.32Å; E192-K194 PolarHBondContact O-N 3.22Å
193A53.1Low59.3Low105 Ų105114.9 Ų114.987%0.86867%0.671SS**  trans-62.892.617500000109.3K195A193-K195 PolarHBondContact O-N 3.04Å
194K57.9Low60.8Low143 Ų143114.5 Ų114.562%0.62267%0.668SS**  trans-59.3107.8176.1-72.1-178.3-179.2171.80108.5P183 E192 A196P183-K194 HydrophobicContact CG-CB 4.01Å; E192-K194 VanDerWaalsContact C-N 3.32Å; E192-K194 PolarHBondContact O-N 3.22Å; K194-A196 PolarHBondContact O-N 3.41Å
195K57.3Low62.5Low195 Ų195113 Ų11385%0.84865%0.653SS**PPolyproline II helixtrans-54.7133.1174.5-75.4179.5176.7176.30109.5A193 K197A193-K195 PolarHBondContact O-N 3.04Å; K195-K197 PolarHBondContact O-N 3.46Å
196A64Low64.5Low50 Ų50110 Ų11041%0.41363%0.63SS.*PPolyproline II helixtrans-56.2133.8175.300000110.1L180 K194L180-A196 HydrophobicContact CB-CB 4.36Å; L180-A196 HydrophobicContact CD2-CB 4.3Å; K194-A196 PolarHBondContact O-N 3.41Å
197K67.6Low66.7Low167 Ų167111.8 Ų111.873%0.72663%0.63SS**EExtended strand (participates in β ladder)trans-82.8133.2175.5-77.1-177176-179.20108.4V181 K195V181-K197 PolarHBondContact N-O 2.74Å; V181-K197 PolarHBondContact O-N 2.96Å; K195-K197 PolarHBondContact O-N 3.46Å
198V71.6Confident69.1Low85 Ų85110.5 Ų110.552%0.51561%0.614SS.*EExtended strand (participates in β ladder)trans-79.7128.6173.4177.80000108.1P178 L180 P200P178-V198 HydrophobicContact CB-CG1 3.38Å; P178-V198 HydrophobicContact CG-CG1 4.37Å; L180-V198 HydrophobicContact CD2-CG2 3.83Å; V198-P200 WeakPolarHBondContact O-CD 3.22Å
199D69.8Low71.5Confident45 Ų45109.6 Ų109.624%0.24160%0.603CS.*EExtended strand (participates in β ladder)trans-85.4114.7165.5-165.6-32.7000108.5K179 V181 N201 E202K179-D199 PolarHBondContact O-N 3.19Å; V181-D199 HydrophobicContact CG2-CB 3.72Å; D199-N201 PolarHBondContact O-N 3.34Å; D199-N201 WeakPolarHBondContact OD1-CB 3.3Å; D199-N201 PolarHBondContact OD1-N 3.46Å; D199-E202 HydrophobicContact CB-CB 4.46Å
200P65.5Low73.9Confident111 Ų111102.8 Ų102.872%0.72157%0.57SS**EExtended strand (participates in β ladder)trans-72.3-12.2179.129.5-33.8000113.6V198V198-P200 WeakPolarHBondContact O-CD 3.22Å
201N74.6Confident76.1Confident151 Ų151101.7 Ų101.781%0.80755%0.552SS**EExtended strand (participates in β ladder)trans-103.2-9.1-175.6-68.7-12.2000114D199D199-N201 PolarHBondContact O-N 3.34Å; D199-N201 WeakPolarHBondContact OD1-CB 3.3Å; D199-N201 PolarHBondContact OD1-N 3.46Å
202E79.8Confident78.3Confident90 Ų9095 Ų9542%0.42151%0.508SS..EExtended strand (participates in β ladder)trans-121.3135.5176.6-69.3-168.5168.900111K179 D199K179-E202 HydrophobicContact CB-CB 3.96Å; K179-E202 WeakPolarHBondContact CB-O 3.31Å; K179-E202 HydrophobicContact CD-CB 3.83Å; K179-E202 WeakPolarHBondContact CD-OE2 3.34Å; K179-E202 WeakPolarHBondContact CE-OE2 3.28Å; K179-E202 PolarHBondContact N-O 3.13Å; K179-E202 IonicContact NZ-OE2 2.86Å; K179-E202 PolarHBondContact NZ-OE2 3.44Å; D199-E202 HydrophobicContact CB-CB 4.46Å
203T82.6Confident80.4Confident77 Ų7787 Ų8747%0.47247%0.472SS..EExtended strand (participates in β ladder)trans-117.5156.6176.658.60000111.4E176 K177E176-T203 HydrophobicContact CG-CG2 3.94Å; E176-T203 WeakPolarHBondContact OE1-CB 3.38Å; E176-T203 VanDerWaalsContact OE1-CG2 3.3Å; E176-T203 WeakPolarHBondContact OE1-CG2 3.31Å; E176-T203 PolarHBondContact OE1-OG1 3.45Å; K177-T203 CarbonylContact O-C 3.55Å; K177-T203 WeakPolarHBondContact O-CA 3.18Å
204T86.6Confident82.6Confident60 Ų6084 Ų8437%0.36844%0.442SS..EExtended strand (participates in β ladder)trans-129.2142.2172.256.80000110.6K177 K179K177-T204 PolarHBondContact N-O 2.83Å; K177-T204 PolarHBondContact O-N 3.26Å; K179-T204 HydrophobicContact CB-CG2 4.1Å; K179-T204 HydrophobicContact CD-CG2 4.15Å; K179-T204 HydrophobicContact CG-CG2 3.8Å
205M88.3Confident84.5Confident93 Ų9377.3 Ų77.346%0.45841%0.413SS..EExtended strand (participates in β ladder)trans-85.2119176.5-63.9-63.9-79.500109.5V174 E176V174-M205 HydrophobicContact CB-CE 3.7Å; V174-M205 HydrophobicContact CG2-CE 3.33Å; E176-M205 HydrophobicContact CB-SD 3.88Å; E176-M205 HydrophobicContact CG-SD 4.14Å
206V93.8Very high86.5Confident52 Ų5272.1 Ų72.132%0.31539%0.391SS..EExtended strand (participates in β ladder)trans-108.2123.7179.3-176.90000109.4V174 E175 K177V174-V206 WeakPolarHBondContact CA-O 3.46Å; E175-V206 PolarHBondContact N-O 3.43Å; E175-V206 PolarHBondContact O-N 2.85Å; K177-V206 HydrophobicContact CB-CG2 4.37Å; K177-V206 HydrophobicContact CD-CG2 4.14Å; K177-V206 HydrophobicContact CG-CG2 4.38Å
207K95.9Very high88Confident187 Ų18771.2 Ų71.281%0.81338%0.383SS*.EExtended strand (participates in β ladder)trans-71.9133171.9-68-178.7179.6-177.80109.7V174V174-K207 HydrophobicContact CG1-CG 4.05Å
208K97.3Very high89.5Confident62 Ų6263.3 Ų63.327%0.2735%0.349SS..EExtended strand (participates in β ladder)trans-134.1159.5175.9-73.9-175.5167.6-176.70109.8N172 Y173 E175N172-K208 WeakPolarHBondContact CA-O 3.34Å; Y173-K208 HydrophobicContact CD1-CB 4.26Å; Y173-K208 HydrophobicContact CD2-CB 4.27Å; Y173-K208 HydrophobicContact CE1-CB 3.73Å; Y173-K208 HydrophobicContact CE2-CB 3.74Å; Y173-K208 HydrophobicContact CE2-CD 3.77Å; Y173-K208 HydrophobicContact CE2-CG 4.35Å; Y173-K208 VanDerWaalsContact CZ-CB 3.46Å; Y173-K208 PolarHBondContact N-O 3.36Å; Y173-K208 PolarHBondContact O-N 2.96Å; Y173-K208 VanDerWaalsContact O-O 3.14Å; Y173-K208 WeakPolarHBondContact OH-CD 3.35Å; E175-K208 HydrophobicContact CB-CD 4.45Å; E175-K208 IonicContact OE1-NZ 2.81Å; E175-K208 WeakPolarHBondContact OE2-CE 3.35Å; E175-K208 IonicContact OE2-NZ 3.6Å; E175-K208 PolarHBondContact OE2-NZ 2.79Å
209T96.9Very high90.7Very high87 Ų8759.5 Ų59.553%0.53433%0.326SS..EExtended strand (participates in β ladder)trans-128.7138.7176-48.80000108.7E170 H171 N172E170-T209 HydrophobicContact CB-CG2 4.26Å; H171-T209 CarbonylContact O-C 3.46Å; H171-T209 VanDerWaalsContact O-CA 3.31Å; H171-T209 WeakPolarHBondContact O-CA 3.47Å; N172-T209 WeakPolarHBondContact OD1-CG2 3.18Å; N172-T209 PolarHBondContact OD1-OG1 2.86Å
210A96.1Very high91.9Very high19 Ų1962.2 Ų62.216%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-127.1145.617200000110H171 Y173 F212H171-A210 WeakPolarHBondContact CB-O 3.31Å; H171-A210 PolarHBondContact N-O 3.35Å; H171-A210 PolarHBondContact O-N 3.03Å; Y173-A210 HydrophobicContact CE1-CB 4.03Å; A210-F212 HydrophobicContact CB-CE2 3.87Å
211S95.9Very high93.3Very high41 Ų4158.4 Ų58.429%0.28731%0.312SS..  trans-108.8136.7176.1169.20000110.3Q169 R325Q169-S211 VanDerWaalsContact O-CA 3.26Å; Q169-S211 WeakPolarHBondContact O-CA 3.42Å; Q169-S211 WeakPolarHBondContact O-CB 2.96Å; Q169-S211 PolarHBondContact O-OG 2.92Å; Q169-S211 PolarHBondContact OE1-OG 2.94Å; S211-R325 PolarHBondContact O-NE 3.2Å; S211-R325 PolarHBondContact O-NH2 3.42Å
212F97.6Very high94.2Very high1 Ų155.6 Ų55.60%0.00430%0.296CS..  trans-115.7148.8177.5-69.6-103.3000110.6C165 N166 L167 G168 Q169 H171 A210 P323 H324 R325 N326C165-F212 WeakPolarHBondContact O-CD1 3.31Å; C165-F212 VanDerWaalsContact SG-CE1 3.59Å; N166-F212 WeakPolarHBondContact OD1-CB 3.23Å; L167-F212 HydrophobicContact CB-CD2 3.66Å; L167-F212 HydrophobicContact CB-CE2 3.77Å; L167-F212 HydrophobicContact CB-CG 4.13Å; L167-F212 HydrophobicContact CB-CZ 4.3Å; L167-F212 HydrophobicContact CD1-CD2 4.44Å; L167-F212 HydrophobicContact CD1-CE1 4.26Å; L167-F212 HydrophobicContact CD1-CE2 3.72Å; L167-F212 HydrophobicContact CD1-CZ 3.62Å; L167-F212 HydrophobicContact CG-CD1 4.33Å; L167-F212 HydrophobicContact CG-CD2 4.08Å; L167-F212 HydrophobicContact CG-CE1 4.09Å; L167-F212 HydrophobicContact CG-CE2 3.83Å; L167-F212 HydrophobicContact CG-CG 4.33Å; L167-F212 HydrophobicContact CG-CZ 3.84Å; G168-F212 PolarHBondContact O-N 2.79Å; Q169-F212 PolarHBondContact NE2-O 3.39Å; Q169-F212 VanDerWaalsContact NE2-O 3.13Å; H171-F212 HydrophobicContact CB-CD2 4.31Å; H171-F212 HydrophobicContact CB-CE2 4.12Å; A210-F212 HydrophobicContact CB-CE2 3.87Å; F212-P323 HydrophobicContact CE2-CG 4.16Å; F212-P323 HydrophobicContact CZ-CB 4.14Å; F212-P323 HydrophobicContact CZ-CG 3.73Å; F212-H324 WeakPolarHBondContact CE1-O 3.44Å; F212-R325 HydrophobicContact CD1-CG 4.28Å; F212-R325 HydrophobicContact CE1-CB 4.07Å; F212-R325 HydrophobicContact CE1-CG 3.91Å; F212-R325 HydrophobicContact CZ-CB 4.27Å; F212-R325 HydrophobicContact CZ-CG 4.22Å; F212-N326 HydrophobicContact CD1-CB 4.07Å; F212-N326 HydrophobicContact CE1-CB 4.35Å
213C97.2Very high94.8Very high7 Ų751.9 Ų51.95%0.04728%0.279CS..  trans-96164.3172.968.20000110.3A217 N326 F342 P344C213-A217 HydrophobicContact CB-CB 4.37Å; C213-N326 PolarHBondContact SG-ND2 3.18Å; C213-F342 PolarHBondContact SG-O 3.29Å; C213-P344 HydrophobicContact CB-CG 4.28Å
214T98.1Very high95.1Very high40 Ų4052.2 Ų52.225%0.24528%0.281CS..  trans-69.8154.1175.159.20000111.1D141 K216 A217 A218D141-T214 WeakPolarHBondContact OD2-CA 3.35Å; D141-T214 WeakPolarHBondContact OD2-CB 3.39Å; T214-K216 PolarHBondContact O-N 3.19Å; T214-A217 PolarHBondContact O-N 2.77Å; T214-A217 WeakPolarHBondContact OG1-CB 3.31Å; T214-A217 PolarHBondContact OG1-N 2.9Å; T214-A218 PolarHBondContact O-N 2.99Å
215L98.4Very high95.2Very high3 Ų351.4 Ų51.42%0.01628%0.278CS..Hα-helixtrans-55.9-39.3175179.261.7000111M137 V138 D141 F164 A217 A218 L219 F327M137-L215 HydrophobicContact CB-CD2 3.5Å; M137-L215 VanDerWaalsContact CB-CD2 3.5Å; V138-L215 HydrophobicContact CG2-CD2 4.19Å; V138-L215 HydrophobicContact CG2-CG 4.29Å; D141-L215 HydrophobicContact CB-CB 4.12Å; D141-L215 PolarHBondContact OD2-N 2.99Å; F164-L215 HydrophobicContact CB-CD1 4.35Å; F164-L215 HydrophobicContact CD1-CB 4.24Å; F164-L215 HydrophobicContact CD1-CD1 3.8Å; F164-L215 HydrophobicContact CD1-CG 4.47Å; F164-L215 HydrophobicContact CD2-CD1 3.89Å; F164-L215 HydrophobicContact CE1-CB 3.66Å; F164-L215 HydrophobicContact CE1-CD1 4.02Å; F164-L215 HydrophobicContact CE1-CG 4.36Å; F164-L215 HydrophobicContact CE2-CB 4.47Å; F164-L215 HydrophobicContact CE2-CD1 4.06Å; F164-L215 HydrophobicContact CG-CD1 3.73Å; F164-L215 VanDerWaalsContact CZ-CA 3.46Å; F164-L215 HydrophobicContact CZ-CB 3.79Å; F164-L215 HydrophobicContact CZ-CD1 4.14Å; L215-A217 PolarHBondContact O-N 3.45Å; L215-A218 PolarHBondContact O-N 3.47Å; L215-L219 HydrophobicContact CD1-CD1 3.85Å; L215-L219 HydrophobicContact CD1-CD2 4.41Å; L215-L219 HydrophobicContact CD1-CG 3.85Å; L215-L219 HydrophobicContact CD2-CD1 4.36Å; L215-L219 HydrophobicContact CG-CD1 3.8Å; L215-L219 HydrophobicContact CG-CG 4.2Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 WeakPolarHBondContact O-CG 3.45Å; L215-L219 PolarHBondContact O-N 2.95Å; L215-F327 HydrophobicContact CD1-CZ 3.98Å
216K98Very high95.2Very high87 Ų8755.4 Ų55.438%0.37830%0.295SS..Hα-helixtrans-55.4-51.8175.3-176.6175.3178.3177.50111.2V138 T214 A218 L219 E220V138-K216 HydrophobicContact CG1-CB 3.91Å; V138-K216 HydrophobicContact CG1-CD 4.43Å; V138-K216 HydrophobicContact CG1-CG 4.45Å; V138-K216 HydrophobicContact CG2-CB 4.39Å; T214-K216 PolarHBondContact O-N 3.19Å; K216-A218 VanDerWaalsContact C-N 3.26Å; K216-A218 PolarHBondContact O-N 2.97Å; K216-L219 PolarHBondContact O-N 3Å; K216-E220 WeakPolarHBondContact CE-OE2 3.18Å; K216-E220 WeakPolarHBondContact CG-OE2 3.4Å; K216-E220 WeakPolarHBondContact O-CB 3.18Å; K216-E220 WeakPolarHBondContact O-CG 3.47Å; K216-E220 PolarHBondContact O-N 2.9Å
217A97.4Very high94.9Very high31 Ų3158.9 Ų58.926%0.25631%0.306SS..Hα-helixtrans-66.4-31.5-179.400000112.3C213 T214 L215 P344C213-A217 HydrophobicContact CB-CB 4.37Å; T214-A217 PolarHBondContact O-N 2.77Å; T214-A217 WeakPolarHBondContact OG1-CB 3.31Å; T214-A217 PolarHBondContact OG1-N 2.9Å; L215-A217 PolarHBondContact O-N 3.45Å; A217-P344 HydrophobicContact CB-CG 4.44Å
218A97.8Very high94.6Very high0 Ų050.4 Ų50.40%027%0.271CS..Hα-helixtrans-74.6-28.4177.700000113.4F164 T214 L215 K216 Y239 F327 F342F164-A218 HydrophobicContact CD2-CB 4.46Å; F164-A218 HydrophobicContact CE2-CB 3.76Å; T214-A218 PolarHBondContact O-N 2.99Å; L215-A218 PolarHBondContact O-N 3.47Å; K216-A218 VanDerWaalsContact C-N 3.26Å; K216-A218 PolarHBondContact O-N 2.97Å; A218-Y239 PolarHBondContact O-OH 2.85Å; A218-F327 HydrophobicContact CB-CE2 3.71Å; A218-F342 WeakPolarHBondContact CA-O 3.27Å; A218-F342 HydrophobicContact CB-CB 4.31Å; A218-F342 WeakPolarHBondContact CB-O 3.36Å; A218-F342 WeakPolarHBondContact O-CB 3.19Å
219L97.4Very high94.1Very high6 Ų653.3 Ų53.33%0.03128%0.283CS..Hα-helixtrans-86.9-31175.4-68.8176.9000112.4R134 L215 K216 V221 Y239 L242 H243 L246 F327R134-L219 HydrophobicContact CG-CD1 4.23Å; L215-L219 HydrophobicContact CD1-CD1 3.85Å; L215-L219 HydrophobicContact CD1-CD2 4.41Å; L215-L219 HydrophobicContact CD1-CG 3.85Å; L215-L219 HydrophobicContact CD2-CD1 4.36Å; L215-L219 HydrophobicContact CG-CD1 3.8Å; L215-L219 HydrophobicContact CG-CG 4.2Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 WeakPolarHBondContact O-CG 3.45Å; L215-L219 PolarHBondContact O-N 2.95Å; K216-L219 PolarHBondContact O-N 3Å; L219-V221 VanDerWaalsContact C-N 3.33Å; L219-V221 PolarHBondContact O-N 3.24Å; L219-Y239 PolarHBondContact O-OH 3.26Å; L219-L242 HydrophobicContact CD2-CD2 4.2Å; L219-H243 PolarHBondContact O-CE1 2.97Å; L219-H243 PolarHBondContact O-NE2 2.99Å; L219-L246 HydrophobicContact CD1-CD1 4.16Å; L219-L246 HydrophobicContact CD2-CD1 4.26Å; L219-F327 HydrophobicContact CD2-CZ 4.13Å
220E95.6Very high93.8Very high101 Ų10153 Ų5347%0.47229%0.29SS..SBendtrans-96.744.3-174.9-64.4173.9-175.800112.4R134 K216 D222R134-E220 IonicContact NH2-OE1 2.7Å; R134-E220 PolarHBondContact NH2-OE1 2.88Å; K216-E220 WeakPolarHBondContact CE-OE2 3.18Å; K216-E220 WeakPolarHBondContact CG-OE2 3.4Å; K216-E220 WeakPolarHBondContact O-CB 3.18Å; K216-E220 WeakPolarHBondContact O-CG 3.47Å; K216-E220 PolarHBondContact O-N 2.9Å; E220-D222 PolarHBondContact O-N 3.26Å
221V94.7Very high93.6Very high32 Ų3254.6 Ų54.619%0.19430%0.299CS..  trans-64.3129.9175.4177.10000110.7L219 W223 F342L219-V221 VanDerWaalsContact C-N 3.33Å; L219-V221 PolarHBondContact O-N 3.24Å; V221-W223 HydrophobicContact CB-CZ2 4.31Å; V221-W223 HydrophobicContact CG1-CD2 4.28Å; V221-W223 HydrophobicContact CG1-CZ2 4.06Å; V221-W223 PolarHBondContact O-N 3Å; V221-W223 VanDerWaalsContact O-N 3.13Å; V221-F342 HydrophobicContact CG2-CB 4.17Å; V221-F342 HydrophobicContact CG2-CD1 4.3Å
222D92.9Very high93.5Very high91 Ų9154.4 Ų54.449%0.48730%0.295SS..  trans-78.594.2174.6176.918.1000111.6E220 T224 S225 A228E220-D222 PolarHBondContact O-N 3.26Å; D222-T224 PolarHBondContact O-N 3.07Å; D222-T224 WeakPolarHBondContact OD1-CA 3.48Å; D222-T224 VanDerWaalsContact OD1-CB 3.28Å; D222-T224 WeakPolarHBondContact OD1-CB 3.32Å; D222-T224 PolarHBondContact OD1-N 2.67Å; D222-T224 PolarHBondContact OD1-OG1 3.3Å; D222-T224 PolarHBondContact OD2-OG1 3.42Å; D222-S225 PolarHBondContact O-N 3.33Å; D222-S225 PolarHBondContact O-OG 3.05Å; D222-A228 WeakPolarHBondContact O-CB 3.38Å
223W92.4Very high93.2Very high12 Ų1264.1 Ų64.15%0.04534%0.337CS..THydrogen-bonded Turntrans-71.8-6.7176.2-64.8102.6000114.2V221 A228 K229 L232 T235 Y239 F240 L281 F342V221-W223 HydrophobicContact CB-CZ2 4.31Å; V221-W223 HydrophobicContact CG1-CD2 4.28Å; V221-W223 HydrophobicContact CG1-CZ2 4.06Å; V221-W223 PolarHBondContact O-N 3Å; V221-W223 VanDerWaalsContact O-N 3.13Å; W223-A228 HydrophobicContact CD2-CB 4.49Å; W223-A228 HydrophobicContact CE3-CB 3.85Å; W223-A228 HydrophobicContact CZ3-CB 4.29Å; W223-K229 WeakPolarHBondContact O-CG 3.28Å; W223-L232 HydrophobicContact CE3-CD1 3.78Å; W223-L232 HydrophobicContact CH2-CD1 4.41Å; W223-L232 HydrophobicContact CZ3-CB 4.3Å; W223-L232 HydrophobicContact CZ3-CD1 3.69Å; W223-T235 HydrophobicContact CH2-CG2 3.68Å; W223-T235 HydrophobicContact CZ2-CG2 4.35Å; W223-Y239 AromaticContact CE2-CE1 3.98Å; W223-Y239 AromaticContact CZ2-CD1 3.87Å; W223-Y239 HydrophobicContact CZ2-CD1 3.87Å; W223-Y239 AromaticContact CZ2-CE1 3.55Å; W223-Y239 HydrophobicContact CZ2-CE1 3.55Å; W223-Y239 AromaticContact NE1-CE1 3.81Å; W223-F240 HydrophobicContact CD2-CE1 4.29Å; W223-F240 HydrophobicContact CD2-CZ 4.35Å; W223-F240 AromaticContact CE2-CE1 3.72Å; W223-F240 AromaticContact CE2-CZ 3.92Å; W223-F240 AromaticContact CH2-CZ 3.92Å; W223-F240 HydrophobicContact CH2-CZ 3.92Å; W223-F240 AromaticContact CZ2-CE1 3.86Å; W223-F240 HydrophobicContact CZ2-CE1 3.86Å; W223-F240 AromaticContact CZ2-CZ 3.7Å; W223-F240 HydrophobicContact CZ2-CZ 3.7Å; W223-F240 HydrophobicContact CZ3-CZ 4.31Å; W223-F240 AromaticContact NE1-CE1 3.87Å; W223-L281 HydrophobicContact CB-CD1 4.37Å; W223-L281 HydrophobicContact CB-CD2 4.36Å; W223-L281 HydrophobicContact CB-CG 4.38Å; W223-L281 HydrophobicContact CD2-CD1 4.26Å; W223-L281 HydrophobicContact CG-CD1 4.08Å; W223-F342 HydrophobicContact CH2-CE1 4.21Å; W223-F342 HydrophobicContact CZ2-CD1 4.46Å; W223-F342 HydrophobicContact CZ2-CE1 4.22Å
224T88.1Confident93Very high85 Ų8574.4 Ų74.452%0.52138%0.375SS..THydrogen-bonded Turntrans-80.2-21175.176.90000112.3D222 K229D222-T224 PolarHBondContact O-N 3.07Å; D222-T224 WeakPolarHBondContact OD1-CA 3.48Å; D222-T224 VanDerWaalsContact OD1-CB 3.28Å; D222-T224 WeakPolarHBondContact OD1-CB 3.32Å; D222-T224 PolarHBondContact OD1-N 2.67Å; D222-T224 PolarHBondContact OD1-OG1 3.3Å; D222-T224 PolarHBondContact OD2-OG1 3.42Å; T224-K229 WeakPolarHBondContact O-CE 3.28Å; T224-K229 PolarHBondContact O-NZ 3.1Å
225S90.1Very high92.9Very high43 Ų4373.1 Ų73.130%0.30137%0.367SS..SBendtrans-65.1145.9178.6740000113D222 K227 A228 K229D222-S225 PolarHBondContact O-N 3.33Å; D222-S225 PolarHBondContact O-OG 3.05Å; S225-K227 PolarHBondContact O-N 2.96Å; S225-A228 PolarHBondContact O-N 3.11Å; S225-A228 WeakPolarHBondContact OG-CB 3.49Å; S225-A228 PolarHBondContact OG-N 2.88Å; S225-K229 WeakPolarHBondContact O-CG 3.43Å; S225-K229 PolarHBondContact O-N 2.84Å
226E88.4Confident92.7Very high176 Ų17673.6 Ų73.682%0.82237%0.37SS*.Hα-helixtrans-58.4-37.5179.3-70-173.9169.800112.6K229 A230E226-K229 PolarHBondContact O-N 3.07Å; E226-A230 WeakPolarHBondContact O-CB 3.31Å; E226-A230 PolarHBondContact O-N 3.13Å
227K87.3Confident92.7Very high126 Ų12671.9 Ų71.955%0.54837%0.367SS..Hα-helixtrans-68.1-43179.6-175173.9176.9175.70112.3S225 A230 S231 N345S225-K227 PolarHBondContact O-N 2.96Å; K227-A230 PolarHBondContact O-N 3.32Å; K227-S231 PolarHBondContact O-N 2.93Å; K227-S231 VanDerWaalsContact O-N 3.13Å; K227-S231 PolarHBondContact O-OG 2.85Å; K227-N345 WeakPolarHBondContact CD-ND2 3.4Å; K227-N345 WeakPolarHBondContact CE-ND2 3.36Å; K227-N345 PolarHBondContact NZ-ND2 3.31Å; K227-N345 PolarHBondContact NZ-OD1 3.35Å
228A88.1Confident92.7Very high8 Ų871.4 Ų71.47%0.06636%0.36CS..Hα-helixtrans-65.6-43.617600000110.7D222 W223 S225 A230 S231 L232D222-A228 WeakPolarHBondContact O-CB 3.38Å; W223-A228 HydrophobicContact CD2-CB 4.49Å; W223-A228 HydrophobicContact CE3-CB 3.85Å; W223-A228 HydrophobicContact CZ3-CB 4.29Å; S225-A228 PolarHBondContact O-N 3.11Å; S225-A228 WeakPolarHBondContact OG-CB 3.49Å; S225-A228 PolarHBondContact OG-N 2.88Å; A228-A230 VanDerWaalsContact C-N 3.3Å; A228-A230 PolarHBondContact O-N 3.37Å; A228-S231 WeakPolarHBondContact CA-OG 3.35Å; A228-S231 PolarHBondContact O-N 3.48Å; A228-S231 VanDerWaalsContact O-N 3.1Å; A228-S231 PolarHBondContact O-OG 3.12Å; A228-S231 VanDerWaalsContact O-OG 3.07Å; A228-L232 PolarHBondContact O-N 2.88Å
229K88.4Confident92.7Very high124 Ų12471.4 Ų71.454%0.53936%0.36SS..Hα-helixtrans-58.2-40.2174.1-71.6175.1177.7160.40112.8W223 T224 S225 E226 S231W223-K229 WeakPolarHBondContact O-CG 3.28Å; T224-K229 WeakPolarHBondContact O-CE 3.28Å; T224-K229 PolarHBondContact O-NZ 3.1Å; S225-K229 WeakPolarHBondContact O-CG 3.43Å; S225-K229 PolarHBondContact O-N 2.84Å; E226-K229 PolarHBondContact O-N 3.07Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 2.9Å
230A90.1Very high92.7Very high81 Ų8171.1 Ų71.167%0.66936%0.359SS*.Hα-helixtrans-67.5-31.2177.800000113.1E226 K227 A228E226-A230 WeakPolarHBondContact O-CB 3.31Å; E226-A230 PolarHBondContact O-N 3.13Å; K227-A230 PolarHBondContact O-N 3.32Å; A228-A230 VanDerWaalsContact C-N 3.3Å; A228-A230 PolarHBondContact O-N 3.37Å
231S91.7Very high92.9Very high51 Ų5166.6 Ų66.636%0.35734%0.338SS..Hα-helixtrans-92.1-16-179.649.90000114K227 A228 K229 K233 R234 T235K227-S231 PolarHBondContact O-N 2.93Å; K227-S231 VanDerWaalsContact O-N 3.13Å; K227-S231 PolarHBondContact O-OG 2.85Å; A228-S231 WeakPolarHBondContact CA-OG 3.35Å; A228-S231 PolarHBondContact O-N 3.48Å; A228-S231 VanDerWaalsContact O-N 3.1Å; A228-S231 PolarHBondContact O-OG 3.12Å; A228-S231 VanDerWaalsContact O-OG 3.07Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 2.9Å; S231-K233 VanDerWaalsContact C-N 3.28Å; S231-K233 PolarHBondContact O-N 3.22Å; S231-K233 VanDerWaalsContact O-N 3.14Å; S231-R234 WeakPolarHBondContact O-CA 3.4Å; S231-R234 PolarHBondContact O-N 2.85Å; S231-T235 PolarHBondContact O-N 3.03Å; S231-T235 VanDerWaalsContact O-N 3.12Å; S231-T235 PolarHBondContact O-OG1 3.46Å; S231-T235 VanDerWaalsContact O-OG1 3.11Å
232L93.5Very high93.1Very high37 Ų3765.3 Ų65.319%0.19433%0.33CS..G310 helixtrans-50.4-42.5-177.4-177.465.3000113.5W223 A228 R234 T235 F240 L281 L285W223-L232 HydrophobicContact CE3-CD1 3.78Å; W223-L232 HydrophobicContact CH2-CD1 4.41Å; W223-L232 HydrophobicContact CZ3-CB 4.3Å; W223-L232 HydrophobicContact CZ3-CD1 3.69Å; A228-L232 PolarHBondContact O-N 2.88Å; L232-R234 PolarHBondContact O-N 3.09Å; L232-R234 VanDerWaalsContact O-N 3.14Å; L232-T235 WeakPolarHBondContact CA-OG1 3.49Å; L232-T235 WeakPolarHBondContact O-CB 3.47Å; L232-T235 PolarHBondContact O-N 3.4Å; L232-T235 VanDerWaalsContact O-N 3.08Å; L232-F240 HydrophobicContact CD1-CE2 3.99Å; L232-F240 HydrophobicContact CD1-CZ 3.54Å; L232-L281 HydrophobicContact CD1-CD1 4.03Å; L232-L281 HydrophobicContact CD1-CD2 4.3Å; L232-L281 HydrophobicContact CD2-CD2 3.65Å; L232-L285 HydrophobicContact CD1-CD2 4.05Å
233K91.5Very high93.3Very high206 Ų20661.9 Ų61.990%0.89631%0.311SS*.G310 helixtrans-63.2-21179.5-68.2-174.5179.3-179.20114.1S231S231-K233 VanDerWaalsContact C-N 3.28Å; S231-K233 PolarHBondContact O-N 3.22Å; S231-K233 VanDerWaalsContact O-N 3.14Å
234R93.2Very high93.6Very high222 Ų22261.3 Ų61.384%0.83831%0.309SS*.G310 helixtrans-103.4-10179.1-61.2177.665.3-162-2.2112.1S231 L232S231-R234 WeakPolarHBondContact O-CA 3.4Å; S231-R234 PolarHBondContact O-N 2.85Å; L232-R234 PolarHBondContact O-N 3.09Å; L232-R234 VanDerWaalsContact O-N 3.14Å
235T95.4Very high94.2Very high13 Ų1357.4 Ų57.48%0.0829%0.285CS..SBendtrans-68.6131.3178.7-590000109.1W223 S231 L232 V237 F240 F342W223-T235 HydrophobicContact CH2-CG2 3.68Å; W223-T235 HydrophobicContact CZ2-CG2 4.35Å; S231-T235 PolarHBondContact O-N 3.03Å; S231-T235 VanDerWaalsContact O-N 3.12Å; S231-T235 PolarHBondContact O-OG1 3.46Å; S231-T235 VanDerWaalsContact O-OG1 3.11Å; L232-T235 WeakPolarHBondContact CA-OG1 3.49Å; L232-T235 WeakPolarHBondContact O-CB 3.47Å; L232-T235 PolarHBondContact O-N 3.4Å; L232-T235 VanDerWaalsContact O-N 3.08Å; T235-V237 PolarHBondContact O-N 3.38Å; T235-F240 HydrophobicContact CG2-CE2 3.91Å; T235-F240 HydrophobicContact CG2-CZ 4.15Å; T235-F342 HydrophobicContact CG2-CE1 3.65Å; T235-F342 HydrophobicContact CG2-CZ 3.77Å
236P95.6Very high94.6Very high13 Ų1355.5 Ų55.58%0.08427%0.271CS..  trans-60.7129.1173.324.3-33.1000110.5D238 Y239 F329 V338 D340 F342P236-D238 PolarHBondContact O-N 3.27Å; P236-D238 VanDerWaalsContact O-N 3.14Å; P236-Y239 WeakPolarHBondContact O-CB 3.26Å; P236-Y239 PolarHBondContact O-N 3.38Å; P236-F329 HydrophobicContact CB-CD2 4.36Å; P236-F329 HydrophobicContact CG-CD2 3.83Å; P236-F329 HydrophobicContact CG-CE2 4.18Å; P236-V338 HydrophobicContact CB-CG1 4.3Å; P236-V338 HydrophobicContact CG-CG1 4.28Å; P236-D340 WeakPolarHBondContact CD-OD2 3.21Å; P236-D340 HydrophobicContact CG-CB 4.41Å; P236-F342 HydrophobicContact CG-CE2 4.46Å; P236-F342 HydrophobicContact CG-CZ 4.1Å
237V96.4Very high95Very high51 Ų5151.1 Ų51.131%0.30925%0.249SC..THydrogen-bonded Turntrans-59.9-25.7178.5-650000112.3T235 Y239 F240 L241T235-V237 PolarHBondContact O-N 3.38Å; V237-Y239 PolarHBondContact O-N 3.13Å; V237-F240 PolarHBondContact O-N 2.94Å; V237-L241 PolarHBondContact O-N 3.34Å; V237-L241 VanDerWaalsContact O-N 3.15Å
238D97.9Very high95.6Very high21 Ų2145.1 Ų45.111%0.11222%0.223CC..Hα-helixtrans-59.2-24.9175.9-54.3-102.4000112.9Y160 P236 F240 L241 L242 F329Y160-D238 WeakPolarHBondContact CD1-OD1 3.3Å; P236-D238 PolarHBondContact O-N 3.27Å; P236-D238 VanDerWaalsContact O-N 3.14Å; D238-F240 VanDerWaalsContact C-N 3.33Å; D238-F240 PolarHBondContact O-N 2.88Å; D238-L241 PolarHBondContact O-N 3.41Å; D238-L242 PolarHBondContact O-N 3.45Å; D238-F329 HydrophobicContact CB-CB 3.76Å; D238-F329 HydrophobicContact CB-CD1 3.68Å; D238-F329 HydrophobicContact CB-CE1 4.5Å; D238-F329 HydrophobicContact CB-CG 3.81Å
239Y98.2Very high96.1Very high0 Ų045.5 Ų45.50%022%0.223CC..Hα-helixtrans-61.1-42.9170.5175.7-94.9000111.4A218 L219 W223 P236 V237 L242 H243 F329 F342A218-Y239 PolarHBondContact O-OH 2.85Å; L219-Y239 PolarHBondContact O-OH 3.26Å; W223-Y239 AromaticContact CE2-CE1 3.98Å; W223-Y239 AromaticContact CZ2-CD1 3.87Å; W223-Y239 HydrophobicContact CZ2-CD1 3.87Å; W223-Y239 AromaticContact CZ2-CE1 3.55Å; W223-Y239 HydrophobicContact CZ2-CE1 3.55Å; W223-Y239 AromaticContact NE1-CE1 3.81Å; P236-Y239 WeakPolarHBondContact O-CB 3.26Å; P236-Y239 PolarHBondContact O-N 3.38Å; V237-Y239 PolarHBondContact O-N 3.13Å; Y239-L242 WeakPolarHBondContact O-CB 3.37Å; Y239-L242 PolarHBondContact O-N 2.76Å; Y239-H243 AromaticContact CE1-CD2 3.59Å; Y239-H243 AromaticContact CE1-NE2 3.37Å; Y239-H243 WeakPolarHBondContact CE1-NE2 3.42Å; Y239-H243 AromaticContact CE2-NE2 3.89Å; Y239-H243 AromaticContact CZ-CD2 3.84Å; Y239-H243 AromaticContact CZ-NE2 3.19Å; Y239-H243 PolarHBondContact O-CD2 3.36Å; Y239-H243 VanDerWaalsContact O-CD2 3.23Å; Y239-H243 PolarHBondContact O-N 3.32Å; Y239-H243 PolarHBondContact OH-NE2 2.88Å; Y239-H243 VanDerWaalsContact OH-NE2 3.09Å; Y239-F329 HydrophobicContact CD2-CE2 4.47Å; Y239-F329 HydrophobicContact CD2-CZ 4.02Å; Y239-F329 HydrophobicContact CG-CZ 4.5Å; Y239-F342 HydrophobicContact CD1-CD1 4.44Å; Y239-F342 AromaticContact CD1-CE1 3.97Å; Y239-F342 HydrophobicContact CD1-CE1 3.97Å; Y239-F342 AromaticContact CD2-CD1 3.53Å; Y239-F342 HydrophobicContact CD2-CD1 3.53Å; Y239-F342 AromaticContact CD2-CD2 3.86Å; Y239-F342 HydrophobicContact CD2-CD2 3.86Å; Y239-F342 AromaticContact CD2-CE1 3.41Å; Y239-F342 HydrophobicContact CD2-CE1 3.41Å; Y239-F342 VanDerWaalsContact CD2-CE1 3.41Å; Y239-F342 AromaticContact CD2-CE2 3.76Å; Y239-F342 HydrophobicContact CD2-CE2 3.76Å; Y239-F342 AromaticContact CD2-CG 3.74Å; Y239-F342 HydrophobicContact CD2-CG 3.74Å; Y239-F342 AromaticContact CD2-CZ 3.52Å; Y239-F342 HydrophobicContact CD2-CZ 3.52Å; Y239-F342 HydrophobicContact CE1-CD1 4.34Å; Y239-F342 HydrophobicContact CE1-CE1 4.3Å; Y239-F342 HydrophobicContact CE2-CB 4.05Å; Y239-F342 AromaticContact CE2-CD1 3.39Å; Y239-F342 HydrophobicContact CE2-CD1 3.39Å; Y239-F342 HydrophobicContact CE2-CD2 4.12Å; Y239-F342 AromaticContact CE2-CE1 3.77Å; Y239-F342 HydrophobicContact CE2-CE1 3.77Å; Y239-F342 HydrophobicContact CE2-CE2 4.43Å; Y239-F342 AromaticContact CE2-CG 3.57Å; Y239-F342 HydrophobicContact CE2-CG 3.57Å; Y239-F342 HydrophobicContact CE2-CZ 4.27Å; Y239-F342 HydrophobicContact CG-CD1 4.07Å; Y239-F342 AromaticContact CG-CE1 3.52Å; Y239-F342 HydrophobicContact CG-CE1 3.52Å; Y239-F342 HydrophobicContact CG-CE2 4.32Å; Y239-F342 AromaticContact CG-CZ 3.66Å; Y239-F342 HydrophobicContact CG-CZ 3.66Å; Y239-F342 AromaticContact CZ-CD1 3.83Å
240F98.3Very high96.5Very high1 Ų142.6 Ų42.60%0.00422%0.216CC..Hα-helixtrans-75.8-34.5178.4-55.1-72.9000111.8W223 L232 T235 V237 D238 L242 H243 V244 L276 I279 L281 L285W223-F240 HydrophobicContact CD2-CE1 4.29Å; W223-F240 HydrophobicContact CD2-CZ 4.35Å; W223-F240 AromaticContact CE2-CE1 3.72Å; W223-F240 AromaticContact CE2-CZ 3.92Å; W223-F240 AromaticContact CH2-CZ 3.92Å; W223-F240 HydrophobicContact CH2-CZ 3.92Å; W223-F240 AromaticContact CZ2-CE1 3.86Å; W223-F240 HydrophobicContact CZ2-CE1 3.86Å; W223-F240 AromaticContact CZ2-CZ 3.7Å; W223-F240 HydrophobicContact CZ2-CZ 3.7Å; W223-F240 HydrophobicContact CZ3-CZ 4.31Å; W223-F240 AromaticContact NE1-CE1 3.87Å; L232-F240 HydrophobicContact CD1-CE2 3.99Å; L232-F240 HydrophobicContact CD1-CZ 3.54Å; T235-F240 HydrophobicContact CG2-CE2 3.91Å; T235-F240 HydrophobicContact CG2-CZ 4.15Å; V237-F240 PolarHBondContact O-N 2.94Å; D238-F240 VanDerWaalsContact C-N 3.33Å; D238-F240 PolarHBondContact O-N 2.88Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-L242 PolarHBondContact O-N 3.36Å; F240-H243 WeakPolarHBondContact O-CB 3.02Å; F240-H243 PolarHBondContact O-N 2.83Å; F240-H243 VanDerWaalsContact O-N 3.12Å; F240-V244 WeakPolarHBondContact O-CG2 3.4Å; F240-V244 PolarHBondContact O-N 2.93Å; F240-V244 VanDerWaalsContact O-N 3.12Å; F240-L276 HydrophobicContact CB-CD2 3.94Å; F240-L276 HydrophobicContact CD1-CD2 3.73Å; F240-L276 HydrophobicContact CG-CD2 3.98Å; F240-I279 HydrophobicContact CD1-CD1 3.83Å; F240-I279 HydrophobicContact CE1-CD1 3.87Å; F240-L281 HydrophobicContact CD1-CD1 4.05Å; F240-L281 HydrophobicContact CE1-CD1 3.31Å; F240-L281 HydrophobicContact CZ-CD1 3.71Å; F240-L285 HydrophobicContact CD1-CD2 4.32Å; F240-L285 HydrophobicContact CD2-CD2 3.56Å; F240-L285 HydrophobicContact CD2-CG 4.17Å; F240-L285 HydrophobicContact CE1-CD2 4.2Å; F240-L285 HydrophobicContact CE2-CD2 3.44Å; F240-L285 VanDerWaalsContact CE2-CD2 3.44Å; F240-L285 HydrophobicContact CE2-CG 4.29Å; F240-L285 HydrophobicContact CG-CD2 4.02Å; F240-L285 HydrophobicContact CZ-CD2 3.77Å
241L98.6Very high96.8Very high5 Ų542.5 Ų42.53%0.02620%0.204CC..Hα-helixtrans-57.1-42.4171175.758.9000111.4Y160 V237 D238 H243 V244 L245 L286 F290Y160-L241 HydrophobicContact CD1-CD2 3.6Å; Y160-L241 HydrophobicContact CD2-CD2 3.54Å; Y160-L241 HydrophobicContact CE1-CD2 3.79Å; Y160-L241 HydrophobicContact CE2-CD2 3.72Å; Y160-L241 HydrophobicContact CG-CD2 3.44Å; Y160-L241 VanDerWaalsContact CG-CD2 3.44Å; V237-L241 PolarHBondContact O-N 3.34Å; V237-L241 VanDerWaalsContact O-N 3.15Å; D238-L241 PolarHBondContact O-N 3.41Å; L241-H243 VanDerWaalsContact C-N 3.32Å; L241-H243 PolarHBondContact O-N 2.92Å; L241-V244 WeakPolarHBondContact O-CB 3.43Å; L241-V244 PolarHBondContact O-N 2.82Å; L241-L245 HydrophobicContact CD1-CD1 3.69Å; L241-L245 HydrophobicContact CD1-CG 4.02Å; L241-L245 HydrophobicContact CD2-CD1 4.41Å; L241-L245 HydrophobicContact CG-CD1 3.69Å; L241-L245 HydrophobicContact CG-CG 4.44Å; L241-L245 WeakPolarHBondContact O-CG 3.41Å; L241-L245 PolarHBondContact O-N 2.77Å; L241-L286 HydrophobicContact CB-CD1 4.38Å; L241-L286 HydrophobicContact CB-CD2 4.09Å; L241-L286 HydrophobicContact CD1-CD2 4.19Å; L241-F290 HydrophobicContact CD1-CB 4.33Å; L241-F290 HydrophobicContact CD1-CD2 3.32Å; L241-F290 HydrophobicContact CD1-CE2 3.83Å; L241-F290 HydrophobicContact CD1-CG 4.02Å
242L98.6Very high97.1Very high6 Ų643.9 Ų43.93%0.03120%0.204CC..Hα-helixtrans-56.6-45.6174.2173.961.7000111.6Y162 L219 D238 Y239 F240 V244 L245 L246 F327 F329Y162-L242 HydrophobicContact CD1-CD1 3.57Å; Y162-L242 HydrophobicContact CD2-CD1 4.3Å; Y162-L242 HydrophobicContact CD2-CD2 3.92Å; Y162-L242 HydrophobicContact CE1-CD1 3.24Å; Y162-L242 HydrophobicContact CE2-CD1 4.07Å; Y162-L242 HydrophobicContact CE2-CD2 3.98Å; Y162-L242 HydrophobicContact CG-CD1 4.08Å; Y162-L242 HydrophobicContact CG-CD2 4.21Å; L219-L242 HydrophobicContact CD2-CD2 4.2Å; D238-L242 PolarHBondContact O-N 3.45Å; Y239-L242 WeakPolarHBondContact O-CB 3.37Å; Y239-L242 PolarHBondContact O-N 2.76Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-L242 PolarHBondContact O-N 3.36Å; L242-V244 VanDerWaalsContact C-N 3.32Å; L242-V244 PolarHBondContact O-N 2.83Å; L242-L245 PolarHBondContact O-N 3.27Å; L242-L246 HydrophobicContact CD1-CD1 3.81Å; L242-L246 HydrophobicContact CD1-CD2 4.19Å; L242-L246 HydrophobicContact CD1-CG 3.71Å; L242-L246 HydrophobicContact CD2-CD1 4.49Å; L242-L246 HydrophobicContact CG-CD1 3.86Å; L242-L246 HydrophobicContact CG-CG 4.19Å; L242-L246 WeakPolarHBondContact O-CB 3.21Å; L242-L246 VanDerWaalsContact O-CG 3.29Å; L242-L246 WeakPolarHBondContact O-CG 3.15Å; L242-L246 PolarHBondContact O-N 3.28Å; L242-F327 HydrophobicContact CD2-CD1 4.41Å; L242-F327 HydrophobicContact CD2-CE1 3.61Å; L242-F327 HydrophobicContact CD2-CZ 4.17Å; L242-F329 HydrophobicContact CB-CE1 4.26Å; L242-F329 HydrophobicContact CD2-CE1 4.13Å; L242-F329 HydrophobicContact CD2-CZ 4.42Å
243H98.5Very high97.3Very high19 Ų1945.5 Ų45.59%0.08823%0.229CC..Hα-helixtrans-59.5-42.2177.3-80.4-78.6000112.8L219 Y239 F240 L241 K247 V275L219-H243 PolarHBondContact O-CE1 2.97Å; L219-H243 PolarHBondContact O-NE2 2.99Å; Y239-H243 AromaticContact CE1-CD2 3.59Å; Y239-H243 AromaticContact CE1-NE2 3.37Å; Y239-H243 WeakPolarHBondContact CE1-NE2 3.42Å; Y239-H243 AromaticContact CE2-NE2 3.89Å; Y239-H243 AromaticContact CZ-CD2 3.84Å; Y239-H243 AromaticContact CZ-NE2 3.19Å; Y239-H243 PolarHBondContact O-CD2 3.36Å; Y239-H243 VanDerWaalsContact O-CD2 3.23Å; Y239-H243 PolarHBondContact O-N 3.32Å; Y239-H243 PolarHBondContact OH-NE2 2.88Å; Y239-H243 VanDerWaalsContact OH-NE2 3.09Å; F240-H243 WeakPolarHBondContact O-CB 3.02Å; F240-H243 PolarHBondContact O-N 2.83Å; F240-H243 VanDerWaalsContact O-N 3.12Å; L241-H243 VanDerWaalsContact C-N 3.32Å; L241-H243 PolarHBondContact O-N 2.92Å; H243-K247 WeakPolarHBondContact O-CB 3.2Å; H243-K247 PolarHBondContact O-N 3.26Å; H243-V275 HydrophobicContact CB-CG1 3.73Å
244V98.8Very high97.5Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-61.3-46.9176.7175.60000111F240 L241 L242 K247 F248 L268 I271 R272 L286 F290F240-V244 WeakPolarHBondContact O-CG2 3.4Å; F240-V244 PolarHBondContact O-N 2.93Å; F240-V244 VanDerWaalsContact O-N 3.12Å; L241-V244 WeakPolarHBondContact O-CB 3.43Å; L241-V244 PolarHBondContact O-N 2.82Å; L242-V244 VanDerWaalsContact C-N 3.32Å; L242-V244 PolarHBondContact O-N 2.83Å; V244-K247 PolarHBondContact O-N 3.4Å; V244-F248 WeakPolarHBondContact O-CB 3.16Å; V244-F248 PolarHBondContact O-N 2.96Å; V244-L268 HydrophobicContact CG1-CD2 4Å; V244-I271 HydrophobicContact CB-CG2 4.41Å; V244-I271 HydrophobicContact CG1-CB 4.37Å; V244-I271 HydrophobicContact CG1-CG2 3.91Å; V244-R272 HydrophobicContact CG1-CB 4.32Å; V244-R272 HydrophobicContact CG2-CB 3.84Å; V244-R272 HydrophobicContact CG2-CG 4.17Å; V244-L286 HydrophobicContact CG2-CD2 4.14Å; V244-F290 HydrophobicContact CG1-CE2 4.24Å; V244-F290 HydrophobicContact CG1-CZ 4.19Å
245L98.8Very high97.7Very high2 Ų231.4 Ų31.41%0.0117%0.174CC..Hα-helixtrans-70.9-39.6-177.2-67.4164.4000112.2Y157 L241 L242 K247 F248 R249 P256 L268 C294Y157-L245 HydrophobicContact CD1-CB 4.38Å; Y157-L245 HydrophobicContact CD1-CD1 4.06Å; Y157-L245 HydrophobicContact CD1-CD2 4.07Å; Y157-L245 HydrophobicContact CD1-CG 4.4Å; Y157-L245 HydrophobicContact CD2-CD1 3.59Å; Y157-L245 HydrophobicContact CE1-CB 4.12Å; Y157-L245 HydrophobicContact CE2-CB 4.28Å; Y157-L245 HydrophobicContact CE2-CD1 4.1Å; Y157-L245 HydrophobicContact CG-CD1 3.56Å; Y157-L245 HydrophobicContact CG-CD2 4.33Å; Y157-L245 HydrophobicContact CG-CG 4.38Å; L241-L245 HydrophobicContact CD1-CD1 3.69Å; L241-L245 HydrophobicContact CD1-CG 4.02Å; L241-L245 HydrophobicContact CD2-CD1 4.41Å; L241-L245 HydrophobicContact CG-CD1 3.69Å; L241-L245 HydrophobicContact CG-CG 4.44Å; L241-L245 WeakPolarHBondContact O-CG 3.41Å; L241-L245 PolarHBondContact O-N 2.77Å; L242-L245 PolarHBondContact O-N 3.27Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 3.09Å; L245-F248 WeakPolarHBondContact O-CB 3.49Å; L245-F248 PolarHBondContact O-N 3.31Å; L245-R249 PolarHBondContact O-N 3.16Å; L245-P256 HydrophobicContact CD2-CG 4.02Å; L245-L268 HydrophobicContact CD2-CD2 4.06Å; L245-C294 HydrophobicContact CD2-CB 4.3Å
246L98.6Very high97.8Very high4 Ų431 Ų312%0.02117%0.172CC..Hα-helixtrans-62.6-41.2172.9-69.8179.3000111.5M137 L219 L242 R249 T250M137-L246 HydrophobicContact CE-CD2 3.56Å; L219-L246 HydrophobicContact CD1-CD1 4.16Å; L219-L246 HydrophobicContact CD2-CD1 4.26Å; L242-L246 HydrophobicContact CD1-CD1 3.81Å; L242-L246 HydrophobicContact CD1-CD2 4.19Å; L242-L246 HydrophobicContact CD1-CG 3.71Å; L242-L246 HydrophobicContact CD2-CD1 4.49Å; L242-L246 HydrophobicContact CG-CD1 3.86Å; L242-L246 HydrophobicContact CG-CG 4.19Å; L242-L246 WeakPolarHBondContact O-CB 3.21Å; L242-L246 VanDerWaalsContact O-CG 3.29Å; L242-L246 WeakPolarHBondContact O-CG 3.15Å; L242-L246 PolarHBondContact O-N 3.28Å; L246-R249 PolarHBondContact O-N 2.88Å; L246-T250 PolarHBondContact O-N 3.39Å; L246-T250 PolarHBondContact O-OG1 2.95Å; L246-T250 VanDerWaalsContact O-OG1 3.11Å
247K98.6Very high97.8Very high84 Ų8433 Ų3337%0.36518%0.182SC..Hα-helixtrans-65.5-41.4176-178.259.216476.40111.6H243 V244 L245 R249 T250 D251 I271 V275H243-K247 WeakPolarHBondContact O-CB 3.2Å; H243-K247 PolarHBondContact O-N 3.26Å; V244-K247 PolarHBondContact O-N 3.4Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 3.09Å; K247-R249 PolarHBondContact O-N 2.84Å; K247-T250 PolarHBondContact O-N 2.98Å; K247-D251 IonicContact NZ-OD1 2.69Å; K247-D251 PolarHBondContact NZ-OD1 2.98Å; K247-D251 IonicContact NZ-OD2 2.79Å; K247-D251 PolarHBondContact NZ-OD2 3.21Å; K247-D251 VanDerWaalsContact O-CG 3.27Å; K247-D251 PolarHBondContact O-N 3.42Å; K247-I271 HydrophobicContact CB-CG2 3.72Å; K247-I271 HydrophobicContact CG-CG2 3.63Å; K247-V275 HydrophobicContact CB-CG2 4.03Å; K247-V275 HydrophobicContact CG-CG2 4.01Å
248F98.8Very high97.7Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-57.2-49.7173.2-175.9-77.5000111.1V244 L245 T250 D251 K252 R254 D255 P256 D264 L267 L268 I271V244-F248 WeakPolarHBondContact O-CB 3.16Å; V244-F248 PolarHBondContact O-N 2.96Å; L245-F248 WeakPolarHBondContact O-CB 3.49Å; L245-F248 PolarHBondContact O-N 3.31Å; F248-T250 VanDerWaalsContact C-N 3.33Å; F248-T250 PolarHBondContact O-N 3.23Å; F248-D251 PolarHBondContact O-N 2.95Å; F248-K252 HydrophobicContact CD1-CB 4.37Å; F248-K252 HydrophobicContact CD1-CG 4.41Å; F248-K252 HydrophobicContact CE1-CB 3.98Å; F248-K252 HydrophobicContact CE1-CG 3.95Å; F248-K252 HydrophobicContact CE2-CG 4.32Å; F248-K252 HydrophobicContact CZ-CB 4.41Å; F248-K252 HydrophobicContact CZ-CG 3.9Å; F248-K252 WeakPolarHBondContact O-CB 3.36Å; F248-K252 PolarHBondContact O-N 3Å; F248-R254 VanDerWaalsContact CD1-O 3.31Å; F248-R254 WeakPolarHBondContact CD1-O 3.44Å; F248-R254 VanDerWaalsContact CE1-O 3.3Å; F248-R254 WeakPolarHBondContact CE1-O 3.17Å; F248-D255 VanDerWaalsContact CE1-C 3.44Å; F248-P256 HydrophobicContact CD1-CG 3.94Å; F248-P256 HydrophobicContact CD2-CG 4.43Å; F248-P256 HydrophobicContact CE1-CB 4.46Å; F248-P256 HydrophobicContact CE1-CG 3.96Å; F248-P256 HydrophobicContact CE2-CG 4.41Å; F248-P256 HydrophobicContact CG-CG 4.21Å; F248-P256 HydrophobicContact CZ-CB 4.42Å; F248-P256 HydrophobicContact CZ-CG 4.19Å; F248-D264 HydrophobicContact CE2-CB 4.07Å; F248-D264 HydrophobicContact CZ-CB 4.05Å; F248-L267 HydrophobicContact CD2-CD2 4.06Å; F248-L267 HydrophobicContact CD2-CG 4.23Å; F248-L267 HydrophobicContact CE2-CB 4.37Å; F248-L267 HydrophobicContact CE2-CD2 3.77Å; F248-L267 HydrophobicContact CE2-CG 4.19Å; F248-L268 HydrophobicContact CB-CD2 4.11Å; F248-L268 HydrophobicContact CD2-CD2 3.66Å; F248-L268 HydrophobicContact CD2-CG 3.89Å; F248-L268 HydrophobicContact CE2-CD2 4.4Å; F248-L268 HydrophobicContact CE2-CG 4.19Å; F248-L268 HydrophobicContact CG-CD2 4.06Å; F248-I271 HydrophobicContact CB-CD1 3.92Å; F248-I271 HydrophobicContact CD2-CD1 3.99Å; F248-I271 HydrophobicContact CG-CD1 4.37Å
249R98.4Very high97.5Very high16 Ų1642 Ų426%0.0622%0.222CC..Hα-helixtrans-60.2-42178-173.7-178-74.2172.5-6.6111.7C132 D155 Y157 L245 L246 K247 G253 R254 D255C132-R249 WeakPolarHBondContact O-CD 3.33Å; C132-R249 PolarHBondContact O-NH1 3.25Å; D155-R249 IonicContact OD1-CZ 3.98Å; D155-R249 IonicContact OD1-NH1 3.52Å; D155-R249 PolarHBondContact OD1-NH1 3.15Å; D155-R249 IonicContact OD1-NH2 3.15Å; D155-R249 PolarHBondContact OD1-NH2 2.98Å; D155-R249 IonicContact OD2-CZ 2.63Å; D155-R249 IonicContact OD2-NH1 2.86Å; D155-R249 PolarHBondContact OD2-NH1 3.37Å; D155-R249 IonicContact OD2-NH2 2.68Å; D155-R249 PolarHBondContact OD2-NH2 3.5Å; Y157-R249 VanDerWaalsContact OH-CZ 3.24Å; Y157-R249 PolarHBondContact OH-NH1 2.81Å; Y157-R249 PolarHBondContact OH-NH2 2.94Å; Y157-R249 VanDerWaalsContact OH-NH2 3.1Å; L245-R249 PolarHBondContact O-N 3.16Å; L246-R249 PolarHBondContact O-N 2.88Å; K247-R249 PolarHBondContact O-N 2.84Å; R249-G253 VanDerWaalsContact O-CA 3.25Å; R249-G253 WeakPolarHBondContact O-CA 3.48Å; R249-G253 PolarHBondContact O-N 3.16Å; R249-R254 WeakPolarHBondContact CA-O 3.37Å; R249-D255 IonicContact CZ-OD1 2.71Å; R249-D255 VanDerWaalsContact CZ-OD1 3.28Å; R249-D255 IonicContact CZ-OD2 3.9Å; R249-D255 IonicContact NE-OD1 3.29Å; R249-D255 PolarHBondContact NE-OD1 2.72Å; R249-D255 IonicContact NE-OD2 3.86Å; R249-D255 VanDerWaalsContact NH2-CG 3.27Å; R249-D255 IonicContact NH2-OD1 3.84Å; R249-D255 PolarHBondContact NH2-OD1 2.95Å; R249-D255 VanDerWaalsContact NH2-OD1 3.12Å; R249-D255 IonicContact NH2-OD2 3.81Å; R249-D255 PolarHBondContact NH2-OD2 2.91Å
250T97.3Very high97.4Very high63 Ų6343.2 Ų43.239%0.38723%0.232SC..Hα-helixtrans-60.2-44.5174.8-660000112.1L246 K247 F248L246-T250 PolarHBondContact O-N 3.39Å; L246-T250 PolarHBondContact O-OG1 2.95Å; L246-T250 VanDerWaalsContact O-OG1 3.11Å; K247-T250 PolarHBondContact O-N 2.98Å; F248-T250 VanDerWaalsContact C-N 3.33Å; F248-T250 PolarHBondContact O-N 3.23Å
251D97.3Very high97.3Very high79 Ų7945.9 Ų45.942%0.42225%0.25SS..Hα-helixtrans-75.4-36.6-175.4-68.2-14.1000113.3K247 F248K247-D251 IonicContact NZ-OD1 2.69Å; K247-D251 PolarHBondContact NZ-OD1 2.98Å; K247-D251 IonicContact NZ-OD2 2.79Å; K247-D251 PolarHBondContact NZ-OD2 3.21Å; K247-D251 VanDerWaalsContact O-CG 3.27Å; K247-D251 PolarHBondContact O-N 3.42Å; F248-D251 PolarHBondContact O-N 2.95Å
252K97.8Very high97.3Very high80 Ų8049 Ų4935%0.34828%0.277SS..Hα-helixtrans-100.4-17.4-173.6-71-69.4-168.2167.10113.8F248 R254 E263 L267F248-K252 HydrophobicContact CD1-CB 4.37Å; F248-K252 HydrophobicContact CD1-CG 4.41Å; F248-K252 HydrophobicContact CE1-CB 3.98Å; F248-K252 HydrophobicContact CE1-CG 3.95Å; F248-K252 HydrophobicContact CE2-CG 4.32Å; F248-K252 HydrophobicContact CZ-CB 4.41Å; F248-K252 HydrophobicContact CZ-CG 3.9Å; F248-K252 WeakPolarHBondContact O-CB 3.36Å; F248-K252 PolarHBondContact O-N 3Å; K252-R254 HydrophobicContact CB-CG 3.99Å; K252-R254 PolarHBondContact O-N 3.45Å; K252-E263 IonicContact NZ-OE1 2.84Å; K252-E263 PolarHBondContact NZ-OE1 2.82Å; K252-L267 HydrophobicContact CD-CD2 4.13Å; K252-L267 HydrophobicContact CG-CD2 3.98Å
253G96.6Very high97.3Very high70 Ų7054 Ų5472%0.72230%0.301SS*.SBendtrans66.217.3-171.400000113.7R249R249-G253 VanDerWaalsContact O-CA 3.25Å; R249-G253 WeakPolarHBondContact O-CA 3.48Å; R249-G253 PolarHBondContact O-N 3.16Å
254R96.2Very high97.3Very high81 Ų8153.1 Ų53.131%0.30630%0.296SS..SBendtrans-156.1167.1178.162.9165.5-178.579.9-1.7110.3F248 R249 K252 D264F248-R254 VanDerWaalsContact CD1-O 3.31Å; F248-R254 WeakPolarHBondContact CD1-O 3.44Å; F248-R254 VanDerWaalsContact CE1-O 3.3Å; F248-R254 WeakPolarHBondContact CE1-O 3.17Å; R249-R254 WeakPolarHBondContact CA-O 3.37Å; K252-R254 HydrophobicContact CB-CG 3.99Å; K252-R254 PolarHBondContact O-N 3.45Å; R254-D264 IonicContact CZ-OD1 3.85Å; R254-D264 IonicContact CZ-OD2 2.91Å; R254-D264 IonicContact NH1-OD1 3.45Å; R254-D264 IonicContact NH1-OD2 2.73Å; R254-D264 PolarHBondContact NH1-OD2 3.49Å; R254-D264 IonicContact NH2-OD1 2.81Å; R254-D264 PolarHBondContact NH2-OD1 3.02Å; R254-D264 IonicContact NH2-OD2 3.29Å; R254-D264 PolarHBondContact NH2-OD2 2.99Å
255D97.6Very high97.2Very high51 Ų5154.4 Ų54.427%0.27331%0.305SS..  trans-84167.5171.5-66.3-31.7000112.8Y157 F248 R249 D257Y157-D255 HydrophobicContact CE1-CB 4.46Å; F248-D255 VanDerWaalsContact CE1-C 3.44Å; R249-D255 IonicContact CZ-OD1 2.71Å; R249-D255 VanDerWaalsContact CZ-OD1 3.28Å; R249-D255 IonicContact CZ-OD2 3.9Å; R249-D255 IonicContact NE-OD1 3.29Å; R249-D255 PolarHBondContact NE-OD1 2.72Å; R249-D255 IonicContact NE-OD2 3.86Å; R249-D255 VanDerWaalsContact NH2-CG 3.27Å; R249-D255 IonicContact NH2-OD1 3.84Å; R249-D255 PolarHBondContact NH2-OD1 2.95Å; R249-D255 VanDerWaalsContact NH2-OD1 3.12Å; R249-D255 IonicContact NH2-OD2 3.81Å; R249-D255 PolarHBondContact NH2-OD2 2.91Å; D255-D257 PolarHBondContact O-N 3.11Å
256P97.9Very high97.2Very high6 Ų663.9 Ų63.94%0.03934%0.341CS..  trans-56.6124.7174.6-2636.2000112L245 F248 L268 F295L245-P256 HydrophobicContact CD2-CG 4.02Å; F248-P256 HydrophobicContact CD1-CG 3.94Å; F248-P256 HydrophobicContact CD2-CG 4.43Å; F248-P256 HydrophobicContact CE1-CB 4.46Å; F248-P256 HydrophobicContact CE1-CG 3.96Å; F248-P256 HydrophobicContact CE2-CG 4.41Å; F248-P256 HydrophobicContact CG-CG 4.21Å; F248-P256 HydrophobicContact CZ-CB 4.42Å; F248-P256 HydrophobicContact CZ-CG 4.19Å; P256-L268 HydrophobicContact CB-CD1 4.1Å; P256-L268 HydrophobicContact CG-CD1 3.91Å; P256-L268 HydrophobicContact CG-CD2 4.04Å; P256-L268 HydrophobicContact CG-CG 4.35Å; P256-F295 HydrophobicContact CB-CD1 3.59Å; P256-F295 HydrophobicContact CB-CE1 3.47Å; P256-F295 VanDerWaalsContact CB-CE1 3.47Å; P256-F295 HydrophobicContact CB-CE2 4.43Å; P256-F295 HydrophobicContact CB-CG 4.16Å; P256-F295 HydrophobicContact CB-CZ 3.92Å
257D94.9Very high97.2Very high54 Ų5465.7 Ų65.729%0.28935%0.351SS..  trans-106.6124.9-174.3-178.8-12.2000109.7D255 K259 A260 C261 D264D255-D257 PolarHBondContact O-N 3.11Å; D257-K259 PolarHBondContact O-N 2.8Å; D257-K259 VanDerWaalsContact O-N 3.09Å; D257-K259 WeakPolarHBondContact OD1-CB 3.44Å; D257-K259 WeakPolarHBondContact OD1-CG 3.25Å; D257-K259 PolarHBondContact OD1-N 2.85Å; D257-A260 HydrophobicContact CB-CB 4.42Å; D257-A260 CarbonylContact O-C 3.57Å; D257-A260 WeakPolarHBondContact O-CA 3.32Å; D257-A260 PolarHBondContact O-N 3.3Å; D257-C261 PolarHBondContact O-N 3.24Å; D257-C261 VanDerWaalsContact O-N 3.14Å; D257-D264 PolarHBondContact N-OD2 2.8Å
258P93.5Very high97.2Very high65 Ų6561.7 Ų61.742%0.42233%0.333SS..G310 helixtrans-52.2-30.8174.4-25.131.1000114.2A260 C261 F295 S296P258-A260 PolarHBondContact O-N 3.21Å; P258-C261 WeakPolarHBondContact O-CB 3.34Å; P258-C261 PolarHBondContact O-N 3.31Å; P258-F295 HydrophobicContact CG-CB 4.32Å; P258-S296 WeakPolarHBondContact CD-OG 3.22Å; P258-S296 WeakPolarHBondContact CG-OG 3.25Å
259K94.5Very high97.2Very high195 Ų19565.6 Ų65.685%0.84835%0.35SS*.G310 helixtrans-67.3-27.3176.8-63.3176.2-176.8171.30112.4D257D257-K259 PolarHBondContact O-N 2.8Å; D257-K259 VanDerWaalsContact O-N 3.09Å; D257-K259 WeakPolarHBondContact OD1-CB 3.44Å; D257-K259 WeakPolarHBondContact OD1-CG 3.25Å; D257-K259 PolarHBondContact OD1-N 2.85Å
260A96.6Very high97.2Very high26 Ų2669.7 Ų69.722%0.21537%0.37CS..G310 helixtrans-105.917.9176.800000112.5D257 P258 A262 E263 D264D257-A260 HydrophobicContact CB-CB 4.42Å; D257-A260 CarbonylContact O-C 3.57Å; D257-A260 WeakPolarHBondContact O-CA 3.32Å; D257-A260 PolarHBondContact O-N 3.3Å; P258-A260 PolarHBondContact O-N 3.21Å; A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 3.5Å; A260-E263 PolarHBondContact O-N 3.23Å; A260-D264 PolarHBondContact O-N 3.07Å
261C96.2Very high97.3Very high57 Ų5766.9 Ų66.939%0.38535%0.352SS..Hα-helixtrans-48-44-168.9175.80000114.2D257 P258 S265 F295D257-C261 PolarHBondContact O-N 3.24Å; D257-C261 VanDerWaalsContact O-N 3.14Å; P258-C261 WeakPolarHBondContact O-CB 3.34Å; P258-C261 PolarHBondContact O-N 3.31Å; C261-S265 WeakPolarHBondContact O-CB 3.21Å; C261-S265 PolarHBondContact O-N 3.42Å; C261-S265 PolarHBondContact O-OG 3.02Å; C261-F295 HydrophobicContact CB-CE1 4.4Å
262A97.5Very high97.3Very high72 Ų7263.6 Ų63.660%0.59533%0.334SS*.Hα-helixtrans-67-38.2-179.300000113.7A260 R266A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 3.5Å; A262-R266 WeakPolarHBondContact O-CG 3.36Å
263E98.2Very high97.4Very high111 Ų11162.4 Ų62.452%0.51933%0.331SS..Hα-helixtrans-72.5-50.8175.8-176.3-170.9151.500110K252 A260 S265 R266 L267K252-E263 IonicContact NZ-OE1 2.84Å; K252-E263 PolarHBondContact NZ-OE1 2.82Å; A260-E263 PolarHBondContact O-N 3.23Å; E263-S265 VanDerWaalsContact C-N 3.31Å; E263-S265 PolarHBondContact O-N 3.28Å; E263-R266 PolarHBondContact O-N 3.2Å; E263-R266 VanDerWaalsContact O-N 3.14Å; E263-L267 PolarHBondContact O-N 3.09Å
264D98.4Very high97.5Very high0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-63.8-37-176-72.7-2.4000111.5F248 R254 D257 A260 R266 L267 L268 F295F248-D264 HydrophobicContact CE2-CB 4.07Å; F248-D264 HydrophobicContact CZ-CB 4.05Å; R254-D264 IonicContact CZ-OD1 3.85Å; R254-D264 IonicContact CZ-OD2 2.91Å; R254-D264 IonicContact NH1-OD1 3.45Å; R254-D264 IonicContact NH1-OD2 2.73Å; R254-D264 PolarHBondContact NH1-OD2 3.49Å; R254-D264 IonicContact NH2-OD1 2.81Å; R254-D264 PolarHBondContact NH2-OD1 3.02Å; R254-D264 IonicContact NH2-OD2 3.29Å; R254-D264 PolarHBondContact NH2-OD2 2.99Å; D257-D264 PolarHBondContact N-OD2 2.8Å; A260-D264 PolarHBondContact O-N 3.07Å; D264-R266 PolarHBondContact O-N 2.98Å; D264-L267 PolarHBondContact O-N 3.15Å; D264-L268 WeakPolarHBondContact O-CB 3.4Å; D264-L268 VanDerWaalsContact O-CG 3.26Å; D264-L268 WeakPolarHBondContact O-CG 3.4Å; D264-L268 PolarHBondContact O-N 3.49Å; D264-F295 HydrophobicContact CB-CE1 3.86Å; D264-F295 HydrophobicContact CB-CZ 3.96Å
265S98.5Very high97.5Very high27 Ų2759.9 Ų59.919%0.18931%0.308CS..Hα-helixtrans-60.6-42.7174.5-67.40000112.6C261 E263 L267 K269 I291C261-S265 WeakPolarHBondContact O-CB 3.21Å; C261-S265 PolarHBondContact O-N 3.42Å; C261-S265 PolarHBondContact O-OG 3.02Å; E263-S265 VanDerWaalsContact C-N 3.31Å; E263-S265 PolarHBondContact O-N 3.28Å; S265-L267 VanDerWaalsContact C-N 3.35Å; S265-K269 PolarHBondContact O-N 3.01Å; S265-I291 WeakPolarHBondContact OG-CG2 3.49Å
266R98.4Very high97.5Very high200 Ų20057.4 Ų57.476%0.75530%0.295SS*.Hα-helixtrans-66.2-42.1177.7-69.9174.5-174.7172.62.9110.6A262 E263 D264 K269 Q270A262-R266 WeakPolarHBondContact O-CG 3.36Å; E263-R266 PolarHBondContact O-N 3.2Å; E263-R266 VanDerWaalsContact O-N 3.14Å; D264-R266 PolarHBondContact O-N 2.98Å; R266-K269 PolarHBondContact O-N 3.13Å; R266-Q270 PolarHBondContact O-N 3.42Å; R266-Q270 VanDerWaalsContact O-N 3.13Å
267L98.5Very high97.5Very high43 Ų4364.1 Ų64.123%0.22533%0.326CS..Hα-helixtrans-67.5-43.4178.8-17959.5000112.1F248 K252 E263 D264 S265 K269 Q270 I271F248-L267 HydrophobicContact CD2-CD2 4.06Å; F248-L267 HydrophobicContact CD2-CG 4.23Å; F248-L267 HydrophobicContact CE2-CB 4.37Å; F248-L267 HydrophobicContact CE2-CD2 3.77Å; F248-L267 HydrophobicContact CE2-CG 4.19Å; K252-L267 HydrophobicContact CD-CD2 4.13Å; K252-L267 HydrophobicContact CG-CD2 3.98Å; E263-L267 PolarHBondContact O-N 3.09Å; D264-L267 PolarHBondContact O-N 3.15Å; S265-L267 VanDerWaalsContact C-N 3.35Å; L267-K269 VanDerWaalsContact C-N 3.26Å; L267-K269 PolarHBondContact O-N 3.15Å; L267-Q270 PolarHBondContact O-N 2.88Å; L267-Q270 VanDerWaalsContact O-N 3.15Å; L267-I271 HydrophobicContact CD1-CD1 3.96Å; L267-I271 HydrophobicContact CD1-CG1 3.96Å; L267-I271 HydrophobicContact CD2-CD1 4.31Å; L267-I271 HydrophobicContact CG-CD1 3.73Å; L267-I271 HydrophobicContact CG-CG1 4.17Å; L267-I271 WeakPolarHBondContact O-CB 3.48Å; L267-I271 WeakPolarHBondContact O-CG1 3.35Å; L267-I271 PolarHBondContact O-N 3.48Å
268L98.7Very high97.5Very high0 Ų065.8 Ų65.80%035%0.347CS..Hα-helixtrans-58-40.3176.3-78.2168.1000111.8V244 L245 F248 P256 D264 R272 F290 I291 F295V244-L268 HydrophobicContact CG1-CD2 4Å; L245-L268 HydrophobicContact CD2-CD2 4.06Å; F248-L268 HydrophobicContact CB-CD2 4.11Å; F248-L268 HydrophobicContact CD2-CD2 3.66Å; F248-L268 HydrophobicContact CD2-CG 3.89Å; F248-L268 HydrophobicContact CE2-CD2 4.4Å; F248-L268 HydrophobicContact CE2-CG 4.19Å; F248-L268 HydrophobicContact CG-CD2 4.06Å; P256-L268 HydrophobicContact CB-CD1 4.1Å; P256-L268 HydrophobicContact CG-CD1 3.91Å; P256-L268 HydrophobicContact CG-CD2 4.04Å; P256-L268 HydrophobicContact CG-CG 4.35Å; D264-L268 WeakPolarHBondContact O-CB 3.4Å; D264-L268 VanDerWaalsContact O-CG 3.26Å; D264-L268 WeakPolarHBondContact O-CG 3.4Å; D264-L268 PolarHBondContact O-N 3.49Å; L268-R272 WeakPolarHBondContact O-CB 3.44Å; L268-R272 PolarHBondContact O-N 2.99Å; L268-F290 HydrophobicContact CB-CE2 4.27Å; L268-F290 HydrophobicContact CB-CZ 4.17Å; L268-I291 HydrophobicContact CB-CG1 4.32Å; L268-F295 HydrophobicContact CD1-CE2 4.01Å; L268-F295 HydrophobicContact CD1-CZ 3.98Å
269K98.3Very high97.5Very high81 Ų8164.9 Ų64.935%0.35234%0.338SS..Hα-helixtrans-62.9-47.3175-171.7170.7177.5163.30111.8S265 R266 L267 R272 D273 D288 I291S265-K269 PolarHBondContact O-N 3.01Å; R266-K269 PolarHBondContact O-N 3.13Å; L267-K269 VanDerWaalsContact C-N 3.26Å; L267-K269 PolarHBondContact O-N 3.15Å; K269-R272 WeakPolarHBondContact O-CB 3.48Å; K269-R272 PolarHBondContact O-N 3.35Å; K269-D273 PolarHBondContact O-N 3.35Å; K269-D273 VanDerWaalsContact O-N 3.15Å; K269-D288 WeakPolarHBondContact CE-OD2 3.37Å; K269-D288 IonicContact NZ-OD1 3.66Å; K269-D288 IonicContact NZ-OD2 3.55Å; K269-D288 PolarHBondContact NZ-OD2 3.05Å; K269-I291 HydrophobicContact CB-CD1 3.99Å
270Q98.4Very high97.5Very high102 Ų10258.4 Ų58.448%0.47733%0.327SS..Hα-helixtrans-60.7-48.3176.9-175.46348.400111.5R266 L267 R272 D273 D274R266-Q270 PolarHBondContact O-N 3.42Å; R266-Q270 VanDerWaalsContact O-N 3.13Å; L267-Q270 PolarHBondContact O-N 2.88Å; L267-Q270 VanDerWaalsContact O-N 3.15Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 3.43Å; Q270-D273 PolarHBondContact O-N 2.7Å; Q270-D273 VanDerWaalsContact O-N 3.16Å; Q270-D274 PolarHBondContact NE2-OD1 3.45Å; Q270-D274 PolarHBondContact NE2-OD2 2.89Å; Q270-D274 VanDerWaalsContact O-CG 3.23Å; Q270-D274 PolarHBondContact O-N 2.82Å
271I98.7Very high97.4Very high4 Ų458.4 Ų58.42%0.02132%0.323CS..Hα-helixtrans-59.8-41.7178.8-71.1176.2000110.7V244 K247 F248 L267 D273 D274 V275V244-I271 HydrophobicContact CB-CG2 4.41Å; V244-I271 HydrophobicContact CG1-CB 4.37Å; V244-I271 HydrophobicContact CG1-CG2 3.91Å; K247-I271 HydrophobicContact CB-CG2 3.72Å; K247-I271 HydrophobicContact CG-CG2 3.63Å; F248-I271 HydrophobicContact CB-CD1 3.92Å; F248-I271 HydrophobicContact CD2-CD1 3.99Å; F248-I271 HydrophobicContact CG-CD1 4.37Å; L267-I271 HydrophobicContact CD1-CD1 3.96Å; L267-I271 HydrophobicContact CD1-CG1 3.96Å; L267-I271 HydrophobicContact CD2-CD1 4.31Å; L267-I271 HydrophobicContact CG-CD1 3.73Å; L267-I271 HydrophobicContact CG-CG1 4.17Å; L267-I271 WeakPolarHBondContact O-CB 3.48Å; L267-I271 WeakPolarHBondContact O-CG1 3.35Å; L267-I271 PolarHBondContact O-N 3.48Å; I271-D273 PolarHBondContact O-N 3.14Å; I271-D274 PolarHBondContact O-N 3.19Å; I271-V275 HydrophobicContact CG2-CG2 3.85Å; I271-V275 WeakPolarHBondContact O-CB 3.16Å; I271-V275 WeakPolarHBondContact O-CG2 3.46Å; I271-V275 PolarHBondContact O-N 3.06Å
272R98.6Very high97.3Very high11 Ų1158.9 Ų58.94%0.04233%0.327CS..Hα-helixtrans-55.8-52.5175.1176.5-155.560.6-159.6-2.9111.1V244 L268 K269 Q270 D274 V275 L276 L286 D288 F290V244-R272 HydrophobicContact CG1-CB 4.32Å; V244-R272 HydrophobicContact CG2-CB 3.84Å; V244-R272 HydrophobicContact CG2-CG 4.17Å; L268-R272 WeakPolarHBondContact O-CB 3.44Å; L268-R272 PolarHBondContact O-N 2.99Å; K269-R272 WeakPolarHBondContact O-CB 3.48Å; K269-R272 PolarHBondContact O-N 3.35Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 3.43Å; R272-D274 VanDerWaalsContact C-N 3.34Å; R272-D274 PolarHBondContact O-N 2.85Å; R272-V275 PolarHBondContact O-N 2.86Å; R272-L276 HydrophobicContact CG-CD1 3.75Å; R272-L276 HydrophobicContact CG-CG 4.35Å; R272-L276 WeakPolarHBondContact O-CB 3.14Å; R272-L276 WeakPolarHBondContact O-CG 3.44Å; R272-L276 PolarHBondContact O-N 3.38Å; R272-L286 WeakPolarHBondContact CD-O 3.42Å; R272-L286 HydrophobicContact CG-CB 4.23Å; R272-L286 HydrophobicContact CG-CD2 4.12Å; R272-L286 HydrophobicContact CG-CG 4.45Å; R272-L286 PolarHBondContact NH1-O 2.99Å; R272-D288 IonicContact CZ-OD1 3.6Å; R272-D288 VanDerWaalsContact CZ-OD1 3.29Å; R272-D288 IonicContact NH1-OD1 2.67Å; R272-D288 PolarHBondContact NH1-OD1 3.28Å; R272-D288 IonicContact NH2-OD1 3.64Å; R272-D288 PolarHBondContact NH2-OD1 2.88Å; R272-D288 VanDerWaalsContact NH2-OD1 3.09Å; R272-F290 HydrophobicContact CB-CE1 4.35Å; R272-F290 HydrophobicContact CB-CZ 4.31Å; R272-F290 HydrophobicContact CG-CE1 4.49Å
273D98.4Very high97Very high54 Ų5456.2 Ų56.229%0.28931%0.307SS..Hα-helixtrans-61.8-46.1-175.9-64.3-19.6000110K269 Q270 I271 V275 L276 E277K269-D273 PolarHBondContact O-N 3.35Å; K269-D273 VanDerWaalsContact O-N 3.15Å; Q270-D273 PolarHBondContact O-N 2.7Å; Q270-D273 VanDerWaalsContact O-N 3.16Å; I271-D273 PolarHBondContact O-N 3.14Å; D273-V275 PolarHBondContact O-N 2.91Å; D273-L276 PolarHBondContact O-N 3.07Å; D273-E277 VanDerWaalsContact O-CB 3.25Å; D273-E277 WeakPolarHBondContact O-CB 3.4Å; D273-E277 PolarHBondContact O-N 2.71Å
274D98.4Very high96.8Very high77 Ų7757.8 Ų57.841%0.41232%0.319SS..Hα-helixtrans-62.7-44.5178.3-63-17.3000112.6Q270 I271 R272 A278Q270-D274 PolarHBondContact NE2-OD1 3.45Å; Q270-D274 PolarHBondContact NE2-OD2 2.89Å; Q270-D274 VanDerWaalsContact O-CG 3.23Å; Q270-D274 PolarHBondContact O-N 2.82Å; I271-D274 PolarHBondContact O-N 3.19Å; R272-D274 VanDerWaalsContact C-N 3.34Å; R272-D274 PolarHBondContact O-N 2.85Å; D274-A278 VanDerWaalsContact O-CB 3.27Å; D274-A278 WeakPolarHBondContact O-CB 3.37Å; D274-A278 PolarHBondContact O-N 2.97Å
275V97.9Very high96.7Very high21 Ų2160.3 Ų60.313%0.12733%0.332CS..Hα-helixtrans-66.9-45.3-178.7164.10000110.9H243 K247 I271 R272 D273 A278 I279H243-V275 HydrophobicContact CB-CG1 3.73Å; K247-V275 HydrophobicContact CB-CG2 4.03Å; K247-V275 HydrophobicContact CG-CG2 4.01Å; I271-V275 HydrophobicContact CG2-CG2 3.85Å; I271-V275 WeakPolarHBondContact O-CB 3.16Å; I271-V275 WeakPolarHBondContact O-CG2 3.46Å; I271-V275 PolarHBondContact O-N 3.06Å; R272-V275 PolarHBondContact O-N 2.86Å; D273-V275 PolarHBondContact O-N 2.91Å; V275-A278 PolarHBondContact O-N 2.7Å; V275-I279 WeakPolarHBondContact O-CG1 3.27Å; V275-I279 PolarHBondContact O-N 3.32Å
276L97.3Very high96.6Very high0 Ų059.4 Ų59.40%033%0.325CS..Hα-helixtrans-69.1-40.5-179.7-71.6180000111.3F240 R272 D273 A278 I279 G280 L281 L285 L286F240-L276 HydrophobicContact CB-CD2 3.94Å; F240-L276 HydrophobicContact CD1-CD2 3.73Å; F240-L276 HydrophobicContact CG-CD2 3.98Å; R272-L276 HydrophobicContact CG-CD1 3.75Å; R272-L276 HydrophobicContact CG-CG 4.35Å; R272-L276 WeakPolarHBondContact O-CB 3.14Å; R272-L276 WeakPolarHBondContact O-CG 3.44Å; R272-L276 PolarHBondContact O-N 3.38Å; D273-L276 PolarHBondContact O-N 3.07Å; L276-A278 VanDerWaalsContact C-N 3.35Å; L276-A278 PolarHBondContact O-N 3.4Å; L276-I279 HydrophobicContact CD2-CD1 4.07Å; L276-I279 WeakPolarHBondContact O-CG1 3.39Å; L276-I279 PolarHBondContact O-N 2.96Å; L276-G280 PolarHBondContact O-N 3.28Å; L276-L281 CarbonylContact C-O 3.51Å; L276-L281 VanDerWaalsContact C-O 3.28Å; L276-L281 HydrophobicContact CB-CB 4.43Å; L276-L281 HydrophobicContact CD2-CB 4.28Å; L276-L281 HydrophobicContact CD2-CD1 4.43Å; L276-L281 PolarHBondContact O-N 2.74Å; L276-L281 VanDerWaalsContact O-O 3.09Å; L276-L285 HydrophobicContact CD1-CB 4.34Å; L276-L285 HydrophobicContact CD2-CD2 4.47Å; L276-L286 HydrophobicContact CD1-CB 4.22Å
277E96.9Very high96.5Very high147 Ų14752.4 Ų52.469%0.68731%0.31SS*.Hα-helixtrans-59.8-44.9173.5-176.9175.4-166.800111.3D273 I279 G280D273-E277 VanDerWaalsContact O-CB 3.25Å; D273-E277 WeakPolarHBondContact O-CB 3.4Å; D273-E277 PolarHBondContact O-N 2.71Å; E277-I279 PolarHBondContact O-N 3.44Å; E277-G280 PolarHBondContact O-N 3.29Å
278A95.9Very high96.4Very high88 Ų8854 Ų5473%0.72732%0.319SS*.Hα-helixtrans-61.1-27.1-179.600000113.8D274 V275 L276D274-A278 VanDerWaalsContact O-CB 3.27Å; D274-A278 WeakPolarHBondContact O-CB 3.37Å; D274-A278 PolarHBondContact O-N 2.97Å; V275-A278 PolarHBondContact O-N 2.7Å; L276-A278 VanDerWaalsContact C-N 3.35Å; L276-A278 PolarHBondContact O-N 3.4Å
279I93.6Very high96.3Very high46 Ų4657.4 Ų57.424%0.23634%0.337CS..THydrogen-bonded Turntrans-99.79.3175.266.5178.5000113.2F240 V275 L276 E277 L281F240-I279 HydrophobicContact CD1-CD1 3.83Å; F240-I279 HydrophobicContact CE1-CD1 3.87Å; V275-I279 WeakPolarHBondContact O-CG1 3.27Å; V275-I279 PolarHBondContact O-N 3.32Å; L276-I279 HydrophobicContact CD2-CD1 4.07Å; L276-I279 WeakPolarHBondContact O-CG1 3.39Å; L276-I279 PolarHBondContact O-N 2.96Å; E277-I279 PolarHBondContact O-N 3.44Å; I279-L281 HydrophobicContact CD1-CD1 3.76Å; I279-L281 HydrophobicContact CD1-CG 4.37Å; I279-L281 HydrophobicContact CG1-CB 4.35Å; I279-L281 HydrophobicContact CG1-CD1 4.01Å; I279-L281 HydrophobicContact CG1-CG 4.05Å
280G93.4Very high96.2Very high60 Ų6053.6 Ų53.662%0.61932%0.321SS*.THydrogen-bonded Turntrans76.228.5174.800000114.9L276 E277L276-G280 PolarHBondContact O-N 3.28Å; E277-G280 PolarHBondContact O-N 3.29Å
281L95.1Very high96.2Very high25 Ų2549.7 Ų49.713%0.13130%0.303CS..  trans-117.7156.4-179.8-60.6-179.2000111.4W223 L232 F240 L276 I279 L285W223-L281 HydrophobicContact CB-CD1 4.37Å; W223-L281 HydrophobicContact CB-CD2 4.36Å; W223-L281 HydrophobicContact CB-CG 4.38Å; W223-L281 HydrophobicContact CD2-CD1 4.26Å; W223-L281 HydrophobicContact CG-CD1 4.08Å; L232-L281 HydrophobicContact CD1-CD1 4.03Å; L232-L281 HydrophobicContact CD1-CD2 4.3Å; L232-L281 HydrophobicContact CD2-CD2 3.65Å; F240-L281 HydrophobicContact CD1-CD1 4.05Å; F240-L281 HydrophobicContact CE1-CD1 3.31Å; F240-L281 HydrophobicContact CZ-CD1 3.71Å; L276-L281 CarbonylContact C-O 3.51Å; L276-L281 VanDerWaalsContact C-O 3.28Å; L276-L281 HydrophobicContact CB-CB 4.43Å; L276-L281 HydrophobicContact CD2-CB 4.28Å; L276-L281 HydrophobicContact CD2-CD1 4.43Å; L276-L281 PolarHBondContact O-N 2.74Å; L276-L281 VanDerWaalsContact O-O 3.09Å; I279-L281 HydrophobicContact CD1-CD1 3.76Å; I279-L281 HydrophobicContact CD1-CG 4.37Å; I279-L281 HydrophobicContact CG1-CB 4.35Å; I279-L281 HydrophobicContact CG1-CD1 4.01Å; I279-L281 HydrophobicContact CG1-CG 4.05Å; L281-L285 HydrophobicContact CB-CD2 4.45Å; L281-L285 HydrophobicContact CD1-CD2 3.81Å
282S94.2Very high96.1Very high67 Ų6753.8 Ų53.847%0.46933%0.332SS..  trans-77.3141.1175.4179.80000111.3D284 L285S282-D284 PolarHBondContact O-N 2.8Å; S282-D284 VanDerWaalsContact O-N 3.12Å; S282-D284 PolarHBondContact OG-N 3.44Å; S282-D284 PolarHBondContact OG-OD2 3.07Å; S282-L285 VanDerWaalsContact O-CB 3.28Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.25Å; S282-L285 VanDerWaalsContact O-N 3.08Å
283G91.7Very high96Very high17 Ų1757.5 Ų57.518%0.17535%0.346CS..G310 helixtrans-51.3-29.9169.200000113.8L285 L286G283-L285 PolarHBondContact O-N 3.17Å; G283-L285 VanDerWaalsContact O-N 3.11Å; G283-L286 PolarHBondContact O-N 3.4Å
284D94.1Very high96Very high144 Ų14455 Ų5577%0.7733%0.333SS*.G310 helixtrans-64.5-15.4179.8-59.8-38.5000113.9S282 L286S282-D284 PolarHBondContact O-N 2.8Å; S282-D284 VanDerWaalsContact O-N 3.12Å; S282-D284 PolarHBondContact OG-N 3.44Å; S282-D284 PolarHBondContact OG-OD2 3.07Å; D284-L286 PolarHBondContact O-N 3.35Å
285L95.4Very high95.9Very high52 Ų5252.6 Ų52.627%0.27232%0.319SS..G310 helixtrans-63.1-31.3176.8-174.864.2000112.1L232 F240 L276 L281 S282 G283L232-L285 HydrophobicContact CD1-CD2 4.05Å; F240-L285 HydrophobicContact CD1-CD2 4.32Å; F240-L285 HydrophobicContact CD2-CD2 3.56Å; F240-L285 HydrophobicContact CD2-CG 4.17Å; F240-L285 HydrophobicContact CE1-CD2 4.2Å; F240-L285 HydrophobicContact CE2-CD2 3.44Å; F240-L285 VanDerWaalsContact CE2-CD2 3.44Å; F240-L285 HydrophobicContact CE2-CG 4.29Å; F240-L285 HydrophobicContact CG-CD2 4.02Å; F240-L285 HydrophobicContact CZ-CD2 3.77Å; L276-L285 HydrophobicContact CD1-CB 4.34Å; L276-L285 HydrophobicContact CD2-CD2 4.47Å; L281-L285 HydrophobicContact CB-CD2 4.45Å; L281-L285 HydrophobicContact CD1-CD2 3.81Å; S282-L285 VanDerWaalsContact O-CB 3.28Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.25Å; S282-L285 VanDerWaalsContact O-N 3.08Å; G283-L285 PolarHBondContact O-N 3.17Å; G283-L285 VanDerWaalsContact O-N 3.11Å
286L97.1Very high95.8Very high8 Ų853.5 Ų53.54%0.04233%0.326CS..SBendtrans-11995.3175.6179.359.9000109.4L241 V244 R272 L276 G283 D284 F290L241-L286 HydrophobicContact CB-CD1 4.38Å; L241-L286 HydrophobicContact CB-CD2 4.09Å; L241-L286 HydrophobicContact CD1-CD2 4.19Å; V244-L286 HydrophobicContact CG2-CD2 4.14Å; R272-L286 WeakPolarHBondContact CD-O 3.42Å; R272-L286 HydrophobicContact CG-CB 4.23Å; R272-L286 HydrophobicContact CG-CD2 4.12Å; R272-L286 HydrophobicContact CG-CG 4.45Å; R272-L286 PolarHBondContact NH1-O 2.99Å; L276-L286 HydrophobicContact CD1-CB 4.22Å; G283-L286 PolarHBondContact O-N 3.4Å; D284-L286 PolarHBondContact O-N 3.35Å; L286-F290 HydrophobicContact CD1-CB 3.9Å; L286-F290 HydrophobicContact CD1-CD1 4.05Å; L286-F290 HydrophobicContact CD1-CG 4.08Å; L286-F290 HydrophobicContact CD2-CD1 3.92Å; L286-F290 HydrophobicContact CD2-CD2 4.5Å; L286-F290 HydrophobicContact CD2-CE1 4.05Å; L286-F290 HydrophobicContact CD2-CG 4.17Å; L286-F290 HydrophobicContact CD2-CZ 4.37Å; L286-F290 HydrophobicContact CG-CB 4.42Å; L286-F290 HydrophobicContact CG-CD1 3.62Å; L286-F290 HydrophobicContact CG-CE1 4.07Å; L286-F290 HydrophobicContact CG-CG 4.07Å
287A96.3Very high95.7Very high53 Ų5356.7 Ų56.744%0.43834%0.341SS..  trans-59.2144-177.500000112.6D289 F290A287-D289 VanDerWaalsContact CB-OD1 3.31Å; A287-D289 WeakPolarHBondContact CB-OD1 3.33Å; A287-D289 PolarHBondContact O-N 3.27Å; A287-F290 VanDerWaalsContact O-CD1 3.25Å; A287-F290 WeakPolarHBondContact O-CD1 3.38Å; A287-F290 PolarHBondContact O-N 3.3Å
288D96.5Very high95.6Very high77 Ų7752.5 Ų52.541%0.41232%0.322SS..G310 helixtrans-50.4-22-176.8-77.611.8000114.6K269 R272 F290 I291K269-D288 WeakPolarHBondContact CE-OD2 3.37Å; K269-D288 IonicContact NZ-OD1 3.66Å; K269-D288 IonicContact NZ-OD2 3.55Å; K269-D288 PolarHBondContact NZ-OD2 3.05Å; R272-D288 IonicContact CZ-OD1 3.6Å; R272-D288 VanDerWaalsContact CZ-OD1 3.29Å; R272-D288 IonicContact NH1-OD1 2.67Å; R272-D288 PolarHBondContact NH1-OD1 3.28Å; R272-D288 IonicContact NH2-OD1 3.64Å; R272-D288 PolarHBondContact NH2-OD1 2.88Å; R272-D288 VanDerWaalsContact NH2-OD1 3.09Å; D288-F290 PolarHBondContact O-N 3.22Å; D288-I291 PolarHBondContact O-N 3.36Å
289D95.6Very high95.6Very high72 Ų7251.3 Ų51.339%0.38531%0.308SS..G310 helixtrans-63-24.6-17775.1-56.3000112.9A287 I291 S292 Y293 R333A287-D289 VanDerWaalsContact CB-OD1 3.31Å; A287-D289 WeakPolarHBondContact CB-OD1 3.33Å; A287-D289 PolarHBondContact O-N 3.27Å; D289-I291 PolarHBondContact O-N 3.49Å; D289-I291 VanDerWaalsContact O-N 3.08Å; D289-S292 WeakPolarHBondContact O-CB 3.4Å; D289-S292 PolarHBondContact O-N 3.43Å; D289-Y293 HydrophobicContact CB-CE2 4.27Å; D289-Y293 WeakPolarHBondContact O-CD2 3.35Å; D289-Y293 VanDerWaalsContact O-CE2 3.31Å; D289-Y293 WeakPolarHBondContact O-CE2 3.49Å; D289-R333 IonicContact OD2-CZ 2.69Å; D289-R333 IonicContact OD2-NH1 2.61Å; D289-R333 PolarHBondContact OD2-NH1 2.99Å
290F97Very high95.8Very high1 Ų153.5 Ų53.50%0.00433%0.326CS..G310 helixtrans-52.5-34.817984.9-93.5000112.9Y160 L241 V244 L268 R272 L286 A287 D288 S292 Y293 C294Y160-F290 WeakPolarHBondContact OH-CA 3.4Å; L241-F290 HydrophobicContact CD1-CB 4.33Å; L241-F290 HydrophobicContact CD1-CD2 3.32Å; L241-F290 HydrophobicContact CD1-CE2 3.83Å; L241-F290 HydrophobicContact CD1-CG 4.02Å; V244-F290 HydrophobicContact CG1-CE2 4.24Å; V244-F290 HydrophobicContact CG1-CZ 4.19Å; L268-F290 HydrophobicContact CB-CE2 4.27Å; L268-F290 HydrophobicContact CB-CZ 4.17Å; R272-F290 HydrophobicContact CB-CE1 4.35Å; R272-F290 HydrophobicContact CB-CZ 4.31Å; R272-F290 HydrophobicContact CG-CE1 4.49Å; L286-F290 HydrophobicContact CD1-CB 3.9Å; L286-F290 HydrophobicContact CD1-CD1 4.05Å; L286-F290 HydrophobicContact CD1-CG 4.08Å; L286-F290 HydrophobicContact CD2-CD1 3.92Å; L286-F290 HydrophobicContact CD2-CD2 4.5Å; L286-F290 HydrophobicContact CD2-CE1 4.05Å; L286-F290 HydrophobicContact CD2-CG 4.17Å; L286-F290 HydrophobicContact CD2-CZ 4.37Å; L286-F290 HydrophobicContact CG-CB 4.42Å; L286-F290 HydrophobicContact CG-CD1 3.62Å; L286-F290 HydrophobicContact CG-CE1 4.07Å; L286-F290 HydrophobicContact CG-CG 4.07Å; A287-F290 VanDerWaalsContact O-CD1 3.25Å; A287-F290 WeakPolarHBondContact O-CD1 3.38Å; A287-F290 PolarHBondContact O-N 3.3Å; D288-F290 PolarHBondContact O-N 3.22Å; F290-S292 PolarHBondContact O-N 3.05Å; F290-Y293 PolarHBondContact O-N 3.41Å; F290-C294 PolarHBondContact O-N 3.38Å; F290-C294 PolarHBondContact O-SG 2.85Å
291I97.5Very high96.1Very high19 Ų1950.9 Ų50.910%0.09730%0.298CS..G310 helixtrans-59-33.5-179-62.6168.9000110.7S265 L268 K269 D288 D289 Y293 F295S265-I291 WeakPolarHBondContact OG-CG2 3.49Å; L268-I291 HydrophobicContact CB-CG1 4.32Å; K269-I291 HydrophobicContact CB-CD1 3.99Å; D288-I291 PolarHBondContact O-N 3.36Å; D289-I291 PolarHBondContact O-N 3.49Å; D289-I291 VanDerWaalsContact O-N 3.08Å; I291-Y293 PolarHBondContact O-N 2.81Å; I291-F295 HydrophobicContact CG2-CE2 4.05Å; I291-F295 WeakPolarHBondContact O-CD2 3.17Å; I291-F295 WeakPolarHBondContact O-CE2 3.26Å
292S96.6Very high96.3Very high91 Ų9149.9 Ų49.964%0.63629%0.293SS*.G310 helixtrans-72.4-10.2-179.1-56.60000113.2D289 F290D289-S292 WeakPolarHBondContact O-CB 3.4Å; D289-S292 PolarHBondContact O-N 3.43Å; F290-S292 PolarHBondContact O-N 3.05Å
293Y97.4Very high96.5Very high88 Ų8848.6 Ų48.635%0.34529%0.286SS..G310 helixtrans-131.66.2-167.6-50.7-74.4000114G158 Y159 Y160 D289 F290 I291 R333G158-Y293 CarbonylContact C-O 3.28Å; G158-Y293 VanDerWaalsContact CA-O 3.31Å; G158-Y293 WeakPolarHBondContact CA-O 3.24Å; Y159-Y293 HydrophobicContact CD2-CD1 4.01Å; Y159-Y293 HydrophobicContact CE2-CD1 4.28Å; Y159-Y293 PolarHBondContact N-O 3.29Å; Y160-Y293 WeakPolarHBondContact CD2-O 3.42Å; D289-Y293 HydrophobicContact CB-CE2 4.27Å; D289-Y293 WeakPolarHBondContact O-CD2 3.35Å; D289-Y293 VanDerWaalsContact O-CE2 3.31Å; D289-Y293 WeakPolarHBondContact O-CE2 3.49Å; F290-Y293 PolarHBondContact O-N 3.41Å; I291-Y293 PolarHBondContact O-N 2.81Å; Y293-R333 HydrophobicContact CD1-CG 4.22Å; Y293-R333 HydrophobicContact CG-CG 4.34Å
294C97.7Very high96.8Very high1 Ų150.5 Ų50.51%0.00730%0.295CS..  trans-111.718.1-17667.50000115.2Y157 Y160 L245 F290Y157-C294 WeakPolarHBondContact O-CA 3.44Å; Y160-C294 HydrophobicContact CD2-CB 3.98Å; Y160-C294 HydrophobicContact CE2-CB 4.13Å; L245-C294 HydrophobicContact CD2-CB 4.3Å; F290-C294 PolarHBondContact O-N 3.38Å; F290-C294 PolarHBondContact O-SG 2.85Å
295F97.1Very high97Very high28 Ų2843.7 Ų43.712%0.12326%0.258CS..SBendtrans-102.2145.7-179.9-75.4-100.2000112.4G158 P256 P258 C261 D264 L268 I291G158-F295 WeakPolarHBondContact CA-O 3.4Å; G158-F295 PolarHBondContact N-O 3.4Å; P256-F295 HydrophobicContact CB-CD1 3.59Å; P256-F295 HydrophobicContact CB-CE1 3.47Å; P256-F295 VanDerWaalsContact CB-CE1 3.47Å; P256-F295 HydrophobicContact CB-CE2 4.43Å; P256-F295 HydrophobicContact CB-CG 4.16Å; P256-F295 HydrophobicContact CB-CZ 3.92Å; P258-F295 HydrophobicContact CG-CB 4.32Å; C261-F295 HydrophobicContact CB-CE1 4.4Å; D264-F295 HydrophobicContact CB-CE1 3.86Å; D264-F295 HydrophobicContact CB-CZ 3.96Å; L268-F295 HydrophobicContact CD1-CE2 4.01Å; L268-F295 HydrophobicContact CD1-CZ 3.98Å; I291-F295 HydrophobicContact CG2-CE2 4.05Å; I291-F295 WeakPolarHBondContact O-CD2 3.17Å; I291-F295 WeakPolarHBondContact O-CE2 3.26Å
296S94.4Very high97.2Very high39 Ų3941.2 Ų41.227%0.27325%0.245SC..SBendtrans61.7173.2179.2-69.80000115.4G158 P258G158-S296 WeakPolarHBondContact CA-O 3.11Å; G158-S296 PolarHBondContact N-O 2.91Å; P258-S296 WeakPolarHBondContact CD-OG 3.22Å; P258-S296 WeakPolarHBondContact CG-OG 3.25Å
297E95.3Very high97.3Very high68 Ų6842.2 Ų42.232%0.31826%0.257SS..BIsolated β-bridgetrans-96.4117.1168.6-74.4-171.2-128.600110.3G44 L45 V156G44-E297 WeakPolarHBondContact CA-OE2 3.28Å; G44-E297 PolarHBondContact N-OE2 2.86Å; L45-E297 PolarHBondContact N-OE2 2.81Å; V156-E297 HydrophobicContact CB-CG 4.38Å
298M95.9Very high97.4Very high58 Ų5841.2 Ų41.229%0.28625%0.246SC..  trans-89.3121.3175.1-64.9-167.880.800110.7G158 Y159 P300 V301 C302G158-M298 WeakPolarHBondContact O-CB 3.38Å; G158-M298 WeakPolarHBondContact O-CG 3.34Å; Y159-M298 HydrophobicContact CD1-SD 4.02Å; Y159-M298 HydrophobicContact CD2-SD 3.51Å; Y159-M298 VanDerWaalsContact CD2-SD 3.51Å; Y159-M298 HydrophobicContact CE1-CE 4.05Å; Y159-M298 HydrophobicContact CE1-SD 3.91Å; Y159-M298 HydrophobicContact CE2-CE 3.9Å; Y159-M298 HydrophobicContact CE2-SD 3.38Å; Y159-M298 WeakPolarHBondContact CE2-SD 3.2Å; Y159-M298 HydrophobicContact CG-SD 3.84Å; Y159-M298 VanDerWaalsContact CZ-SD 3.59Å; M298-P300 VanDerWaalsContact C-CD 3.47Å; M298-P300 VanDerWaalsContact C-N 3.34Å; M298-P300 VanDerWaalsContact O-N 3.16Å; M298-V301 HydrophobicContact CB-CB 4.23Å; M298-V301 HydrophobicContact CB-CG2 3.87Å; M298-V301 WeakPolarHBondContact O-CA 3.41Å; M298-V301 WeakPolarHBondContact O-CB 3.34Å; M298-V301 PolarHBondContact O-N 3.27Å; M298-C302 PolarHBondContact O-N 3.45Å; M298-C302 PolarHBondContact O-SG 3.43Å; M298-C302 VanDerWaalsContact O-SG 3.34Å
299S96.8Very high97.5Very high63 Ų6337.6 Ų37.644%0.44123%0.226SC..Hα-helixtrans-51.3-41.6-177.8-48.70000114.8V301 C302 A303S299-V301 VanDerWaalsContact C-N 3.27Å; S299-V301 PolarHBondContact O-N 2.92Å; S299-C302 PolarHBondContact O-N 2.88Å; S299-A303 PolarHBondContact O-N 2.97Å
300P97.8Very high97.7Very high92 Ų9234.3 Ų34.360%0.59721%0.209SC*.Hα-helixtrans-61.5-34.8175.1-24.435.6000113.5M298 A303 V304M298-P300 VanDerWaalsContact C-CD 3.47Å; M298-P300 VanDerWaalsContact C-N 3.34Å; M298-P300 VanDerWaalsContact O-N 3.16Å; P300-A303 PolarHBondContact O-N 3.33Å; P300-V304 WeakPolarHBondContact O-CG2 3.12Å; P300-V304 PolarHBondContact O-N 3.48Å; P300-V304 VanDerWaalsContact O-N 3.11Å
301V98.6Very high97.7Very high6 Ų637.9 Ų37.94%0.03623%0.226CC..Hα-helixtrans-75.8-41.2179.4-174.80000110.3V156 G158 M298 S299 A303 V304 V305 F330V156-V301 HydrophobicContact CB-CG1 4.39Å; V156-V301 HydrophobicContact CG1-CB 3.8Å; V156-V301 HydrophobicContact CG1-CG1 3.6Å; V156-V301 HydrophobicContact CG2-CG1 3.98Å; G158-V301 WeakPolarHBondContact O-CG2 3.38Å; M298-V301 HydrophobicContact CB-CB 4.23Å; M298-V301 HydrophobicContact CB-CG2 3.87Å; M298-V301 WeakPolarHBondContact O-CA 3.41Å; M298-V301 WeakPolarHBondContact O-CB 3.34Å; M298-V301 PolarHBondContact O-N 3.27Å; S299-V301 VanDerWaalsContact C-N 3.27Å; S299-V301 PolarHBondContact O-N 2.92Å; V301-A303 VanDerWaalsContact C-N 3.25Å; V301-A303 PolarHBondContact O-N 3.14Å; V301-V304 PolarHBondContact O-N 2.83Å; V301-V305 HydrophobicContact CG1-CG2 4.07Å; V301-V305 WeakPolarHBondContact O-CB 3.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.44Å; V301-F330 HydrophobicContact CG1-CD1 3.85Å; V301-F330 HydrophobicContact CG1-CE1 4.09Å; V301-F330 HydrophobicContact CG2-CE1 4.24Å
302C98.6Very high97.8Very high3 Ų337.1 Ų37.12%0.0222%0.222CC..Hα-helixtrans-54.7-42.9169.9-58.20000111.3E48 M298 S299 G306E48-C302 HydrophobicContact CG-CB 4.23Å; M298-C302 PolarHBondContact O-N 3.45Å; M298-C302 PolarHBondContact O-SG 3.43Å; M298-C302 VanDerWaalsContact O-SG 3.34Å; S299-C302 PolarHBondContact O-N 2.88Å; C302-G306 VanDerWaalsContact O-CA 3.31Å; C302-G306 WeakPolarHBondContact O-CA 3.3Å; C302-G306 PolarHBondContact O-N 3.47Å
303A98.6Very high97.9Very high40 Ų4032.8 Ų32.833%0.33119%0.192SC..Hα-helixtrans-66.2-43.8178.400000112.6E48 S299 P300 V301 G307E48-A303 HydrophobicContact CG-CB 4.48Å; S299-A303 PolarHBondContact O-N 2.97Å; P300-A303 PolarHBondContact O-N 3.33Å; V301-A303 VanDerWaalsContact C-N 3.25Å; V301-A303 PolarHBondContact O-N 3.14Å; A303-G307 PolarHBondContact O-N 3.18Å
304V98.8Very high98Very high58 Ų5828.8 Ų28.835%0.35218%0.176SC..Hα-helixtrans-64.2-53.9177.3171.50000110.9P300 V301 G307 V308 F330P300-V304 WeakPolarHBondContact O-CG2 3.12Å; P300-V304 PolarHBondContact O-N 3.48Å; P300-V304 VanDerWaalsContact O-N 3.11Å; V301-V304 PolarHBondContact O-N 2.83Å; V304-G307 PolarHBondContact O-N 2.97Å; V304-V308 WeakPolarHBondContact O-CG2 3.44Å; V304-V308 PolarHBondContact O-N 3.38Å; V304-F330 HydrophobicContact CB-CE1 4.25Å; V304-F330 HydrophobicContact CB-CZ 4.26Å; V304-F330 HydrophobicContact CG1-CD1 4.2Å; V304-F330 HydrophobicContact CG1-CD2 3.79Å; V304-F330 HydrophobicContact CG1-CE1 4.13Å; V304-F330 HydrophobicContact CG1-CE2 3.75Å; V304-F330 HydrophobicContact CG1-CG 4Å; V304-F330 HydrophobicContact CG1-CZ 3.91Å; V304-F330 HydrophobicContact CG2-CE1 4.43Å; V304-F330 HydrophobicContact CG2-CZ 4.11Å
305V98.8Very high98Very high0 Ų030.2 Ų30.20%018%0.183CC..Hα-helixtrans-68.3-42.3-175.8179.30000110.5L45 V156 V301 G307 V308 L309 F330L45-V305 HydrophobicContact CD1-CB 4Å; L45-V305 HydrophobicContact CD1-CG1 3.86Å; L45-V305 HydrophobicContact CD2-CG1 4.33Å; V156-V305 HydrophobicContact CG2-CB 4.2Å; V156-V305 HydrophobicContact CG2-CG2 4.22Å; V301-V305 HydrophobicContact CG1-CG2 4.07Å; V301-V305 WeakPolarHBondContact O-CB 3.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.45Å; V301-V305 PolarHBondContact O-N 3.44Å; V305-G307 VanDerWaalsContact C-N 3.3Å; V305-G307 PolarHBondContact O-N 3Å; V305-V308 PolarHBondContact O-N 3.13Å; V305-L309 WeakPolarHBondContact O-CB 3.24Å; V305-L309 PolarHBondContact O-N 3.4Å; V305-F330 HydrophobicContact CG2-CB 4.19Å; V305-F330 HydrophobicContact CG2-CD1 4.4Å
306G98.8Very high98.1Very high0 Ų028.9 Ų28.90%018%0.177CC..Hα-helixtrans-65.5-31.7176.400000113.1L45 N52 C302 G310L45-G306 VanDerWaalsContact CD1-CA 3.48Å; L45-G306 VanDerWaalsContact CD1-N 3.3Å; N52-G306 PolarHBondContact ND2-O 2.9Å; C302-G306 VanDerWaalsContact O-CA 3.31Å; C302-G306 WeakPolarHBondContact O-CA 3.3Å; C302-G306 PolarHBondContact O-N 3.47Å; G306-G310 PolarHBondContact O-N 3.17Å
307G98.8Very high98.3Very high29 Ų2927.3 Ų27.330%0.29917%0.165SC..Hα-helixtrans-63.8-52.2170.100000112.5N52 A303 V304 V305 Q311N52-G307 WeakPolarHBondContact ND2-CA 3.48Å; A303-G307 PolarHBondContact O-N 3.18Å; V304-G307 PolarHBondContact O-N 2.97Å; V305-G307 VanDerWaalsContact C-N 3.3Å; V305-G307 PolarHBondContact O-N 3Å; G307-Q311 WeakPolarHBondContact O-CB 3.35Å; G307-Q311 PolarHBondContact O-N 2.87Å
308V98.8Very high98.4Very high33 Ų3324.2 Ų24.220%0.215%0.151CC..Hα-helixtrans-62.5-50178176.10000110.6M163 V304 V305 G310 Q311 E312 F328M163-V308 HydrophobicContact CG-CG1 4.47Å; M163-V308 HydrophobicContact SD-CG1 4Å; V304-V308 WeakPolarHBondContact O-CG2 3.44Å; V304-V308 PolarHBondContact O-N 3.38Å; V305-V308 PolarHBondContact O-N 3.13Å; V308-G310 PolarHBondContact O-N 2.81Å; V308-Q311 PolarHBondContact O-N 3.11Å; V308-E312 HydrophobicContact CG1-CG 4.48Å; V308-E312 WeakPolarHBondContact O-CG 3.17Å; V308-E312 PolarHBondContact O-N 2.89Å; V308-F328 HydrophobicContact CB-CD1 4.4Å; V308-F328 HydrophobicContact CB-CE1 4.17Å; V308-F328 HydrophobicContact CB-CZ 4.46Å; V308-F328 HydrophobicContact CG1-CD1 3.93Å; V308-F328 HydrophobicContact CG1-CD2 4.32Å; V308-F328 HydrophobicContact CG1-CE1 4.13Å; V308-F328 HydrophobicContact CG1-CE2 4.49Å; V308-F328 HydrophobicContact CG1-CG 4.03Å; V308-F328 HydrophobicContact CG1-CZ 4.41Å; V308-F328 HydrophobicContact CG2-CE1 4.06Å; V308-F328 HydrophobicContact CG2-CE2 4.36Å; V308-F328 HydrophobicContact CG2-CZ 3.88Å
309L98.8Very high98.5Very high1 Ų125.2 Ų25.21%0.00516%0.155CC..Hα-helixtrans-59.3-47.2179.5-177.153.6000111.8L49 F152 M163 V305 Q311 E312 V313L49-L309 HydrophobicContact CD1-CG 4.18Å; L49-L309 HydrophobicContact CD2-CD2 3.81Å; L49-L309 HydrophobicContact CD2-CG 4.08Å; F152-L309 HydrophobicContact CB-CD1 3.82Å; F152-L309 HydrophobicContact CD1-CD1 3.99Å; F152-L309 HydrophobicContact CG-CD1 4.27Å; M163-L309 HydrophobicContact CB-CB 4.45Å; M163-L309 HydrophobicContact CB-CD1 3.87Å; M163-L309 HydrophobicContact SD-CD1 4.41Å; V305-L309 WeakPolarHBondContact O-CB 3.24Å; V305-L309 PolarHBondContact O-N 3.4Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 3.47Å; L309-E312 PolarHBondContact O-N 3.37Å; L309-V313 WeakPolarHBondContact O-CG2 3.4Å; L309-V313 PolarHBondContact O-N 2.77Å
310G98.8Very high98.4Very high2 Ų223.4 Ų23.42%0.02114%0.139CC..Hα-helixtrans-60.7-41.1176.700000112.5L49 G306 V308 V313 V314L49-G310 VanDerWaalsContact CD1-CA 3.43Å; G306-G310 PolarHBondContact O-N 3.17Å; V308-G310 PolarHBondContact O-N 2.81Å; G310-V313 PolarHBondContact O-N 3.19Å; G310-V314 WeakPolarHBondContact O-CG2 3.21Å; G310-V314 PolarHBondContact O-N 2.77Å
311Q98.8Very high98.3Very high76 Ų7621.6 Ų21.636%0.35512%0.124SC..Hα-helixtrans-65.3-39.4176.5-173.860.849.800112.3G307 V308 L309 V314 K315G307-Q311 WeakPolarHBondContact O-CB 3.35Å; G307-Q311 PolarHBondContact O-N 2.87Å; V308-Q311 PolarHBondContact O-N 3.11Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 3.47Å; Q311-V314 PolarHBondContact O-N 2.99Å; Q311-K315 WeakPolarHBondContact O-CG 3.32Å; Q311-K315 PolarHBondContact O-N 3.32Å
312E98.8Very high98.3Very high3 Ų323.1 Ų23.11%0.01414%0.137CC..Hα-helixtrans-68.5-36.4177.3-68.4-54.3120.300112.2F152 M163 V308 L309 K315 A316 P323 H324F152-E312 HydrophobicContact CE1-CB 4.1Å; M163-E312 HydrophobicContact CE-CB 4.49Å; M163-E312 HydrophobicContact CE-CG 4.35Å; M163-E312 HydrophobicContact SD-CB 4.2Å; M163-E312 HydrophobicContact SD-CG 3.76Å; V308-E312 HydrophobicContact CG1-CG 4.48Å; V308-E312 WeakPolarHBondContact O-CG 3.17Å; V308-E312 PolarHBondContact O-N 2.89Å; L309-E312 PolarHBondContact O-N 3.37Å; E312-K315 WeakPolarHBondContact OE1-CD 3.5Å; E312-K315 WeakPolarHBondContact OE1-CE 3.44Å; E312-K315 IonicContact OE1-NZ 3.1Å; E312-K315 PolarHBondContact OE1-NZ 3.13Å; E312-A316 WeakPolarHBondContact O-CB 3.1Å; E312-A316 PolarHBondContact O-N 3.23Å; E312-A316 VanDerWaalsContact O-N 3.07Å; E312-P323 VanDerWaalsContact OE2-CA 3.24Å; E312-P323 WeakPolarHBondContact OE2-CA 3.34Å; E312-H324 HydrophobicContact CG-CB 4.38Å; E312-H324 IonicContact OE1-CD2 2.79Å; E312-H324 IonicContact OE1-CE1 3.86Å; E312-H324 IonicContact OE1-CG 3.88Å; E312-H324 IonicContact OE1-ND1 3.8Å; E312-H324 IonicContact OE1-NE2 2.77Å; E312-H324 IonicContact OE2-CG 3.76Å; E312-H324 PolarHBondContact OE2-N 2.76Å
313V98.8Very high98.2Very high0 Ų023.6 Ų23.60%014%0.14CC..Hα-helixtrans-61.1-46.9170.5175.40000110.5L49 L53 F152 L309 G310 A316 L317L49-V313 HydrophobicContact CD1-CG2 4.5Å; L53-V313 HydrophobicContact CD1-CG1 4.34Å; L53-V313 HydrophobicContact CD2-CB 3.87Å; L53-V313 HydrophobicContact CD2-CG1 3.53Å; F152-V313 HydrophobicContact CB-CG2 4.42Å; F152-V313 HydrophobicContact CD1-CG2 3.92Å; F152-V313 HydrophobicContact CD2-CG2 3.68Å; F152-V313 HydrophobicContact CE1-CG2 4.04Å; F152-V313 HydrophobicContact CE2-CB 4.32Å; F152-V313 HydrophobicContact CE2-CG1 4.49Å; F152-V313 HydrophobicContact CE2-CG2 3.8Å; F152-V313 HydrophobicContact CG-CG2 3.74Å; F152-V313 HydrophobicContact CZ-CB 4.33Å; F152-V313 HydrophobicContact CZ-CG2 3.98Å; L309-V313 WeakPolarHBondContact O-CG2 3.4Å; L309-V313 PolarHBondContact O-N 2.77Å; G310-V313 PolarHBondContact O-N 3.19Å; V313-A316 PolarHBondContact O-N 2.93Å; V313-L317 HydrophobicContact CG1-CD1 3.78Å; V313-L317 HydrophobicContact CG1-CG 4.35Å; V313-L317 WeakPolarHBondContact O-CB 3.43Å; V313-L317 WeakPolarHBondContact O-CG 3.44Å; V313-L317 PolarHBondContact O-N 2.75Å
314V98.6Very high98.2Very high4 Ų424.2 Ų24.22%0.02414%0.136CC..Hα-helixtrans-59.8-51.8178.2169.20000111.1W24 L32 L53 A56 G310 Q311 A316 L317 S318W24-V314 HydrophobicContact CE3-CG1 4.22Å; W24-V314 HydrophobicContact CH2-CG1 3.83Å; W24-V314 HydrophobicContact CZ2-CG1 4.35Å; W24-V314 HydrophobicContact CZ3-CG1 3.76Å; L32-V314 HydrophobicContact CD1-CG2 4.33Å; L32-V314 HydrophobicContact CD2-CG1 4.23Å; L32-V314 HydrophobicContact CD2-CG2 4.42Å; L53-V314 HydrophobicContact CD2-CG2 4.36Å; A56-V314 HydrophobicContact CB-CG2 3.84Å; G310-V314 WeakPolarHBondContact O-CG2 3.21Å; G310-V314 PolarHBondContact O-N 2.77Å; Q311-V314 PolarHBondContact O-N 2.99Å; V314-A316 VanDerWaalsContact C-N 3.26Å; V314-A316 PolarHBondContact O-N 3.41Å; V314-L317 PolarHBondContact O-N 3.45Å; V314-S318 VanDerWaalsContact O-CB 3.24Å; V314-S318 WeakPolarHBondContact O-CB 3.46Å; V314-S318 PolarHBondContact O-N 2.81Å; V314-S318 PolarHBondContact O-OG 3.03Å
315K98.4Very high98.1Very high32 Ų3226.1 Ų26.114%0.13914%0.137CC..Hα-helixtrans-54.1-44.6178.6-75.2178.8-174.8170.40111.9Q311 E312 S318 Q319 R320 D321 A322Q311-K315 WeakPolarHBondContact O-CG 3.32Å; Q311-K315 PolarHBondContact O-N 3.32Å; E312-K315 WeakPolarHBondContact OE1-CD 3.5Å; E312-K315 WeakPolarHBondContact OE1-CE 3.44Å; E312-K315 IonicContact OE1-NZ 3.1Å; E312-K315 PolarHBondContact OE1-NZ 3.13Å; K315-S318 PolarHBondContact O-OG 2.79Å; K315-Q319 WeakPolarHBondContact O-CA 3.47Å; K315-Q319 PolarHBondContact O-N 3.47Å; K315-R320 WeakPolarHBondContact CB-O 3.3Å; K315-R320 PolarHBondContact O-N 2.79Å; K315-R320 VanDerWaalsContact O-N 3.14Å; K315-D321 HydrophobicContact CD-CB 4.4Å; K315-A322 PolarHBondContact NZ-O 3.15Å
316A98.4Very high98Very high0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-70.3-43.3-17600000111.7K150 F152 L167 H171 E312 V313 V314 Q319K150-A316 HydrophobicContact CD-CB 3.61Å; K150-A316 WeakPolarHBondContact CE-O 3.36Å; F152-A316 HydrophobicContact CZ-CB 3.79Å; L167-A316 HydrophobicContact CD1-CB 3.83Å; L167-A316 HydrophobicContact CD2-CB 3.75Å; L167-A316 HydrophobicContact CG-CB 4.43Å; H171-A316 PolarHBondContact CE1-O 3.38Å; E312-A316 WeakPolarHBondContact O-CB 3.1Å; E312-A316 PolarHBondContact O-N 3.23Å; E312-A316 VanDerWaalsContact O-N 3.07Å; V313-A316 PolarHBondContact O-N 2.93Å; V314-A316 VanDerWaalsContact C-N 3.26Å; V314-A316 PolarHBondContact O-N 3.41Å; A316-Q319 PolarHBondContact O-N 3.36Å
317L98.4Very high98Very high6 Ų626.1 Ų26.13%0.03114%0.137CC..Hα-helixtrans-67.9-39.9176.1-68.7176000112.2L32 V37 V58 D125 A126 K150 V313 V314 Q319L32-L317 HydrophobicContact CD1-CB 4.01Å; L32-L317 HydrophobicContact CD1-CD1 4.08Å; V37-L317 HydrophobicContact CG2-CD1 3.66Å; V58-L317 HydrophobicContact CG1-CD1 4.43Å; D125-L317 HydrophobicContact CB-CD2 3.9Å; A126-L317 HydrophobicContact CB-CD1 4.46Å; A126-L317 HydrophobicContact CB-CD2 3.94Å; A126-L317 HydrophobicContact CB-CG 4.41Å; K150-L317 HydrophobicContact CD-CD2 4.29Å; V313-L317 HydrophobicContact CG1-CD1 3.78Å; V313-L317 HydrophobicContact CG1-CG 4.35Å; V313-L317 WeakPolarHBondContact O-CB 3.43Å; V313-L317 WeakPolarHBondContact O-CG 3.44Å; V313-L317 PolarHBondContact O-N 2.75Å; V314-L317 PolarHBondContact O-N 3.45Å; L317-Q319 VanDerWaalsContact C-N 3.25Å; L317-Q319 PolarHBondContact O-N 2.97Å
318S97.8Very high98Very high3 Ų325.4 Ų25.42%0.02113%0.126CC..Hα-helixtrans-78.9-8.3177.876.30000113.1R31 V314 K315 R320R31-S318 PolarHBondContact NE-O 2.85Å; R31-S318 PolarHBondContact NH2-O 2.74Å; V314-S318 VanDerWaalsContact O-CB 3.24Å; V314-S318 WeakPolarHBondContact O-CB 3.46Å; V314-S318 PolarHBondContact O-N 2.81Å; V314-S318 PolarHBondContact O-OG 3.03Å; K315-S318 PolarHBondContact O-OG 2.79Å; S318-R320 PolarHBondContact O-N 2.99Å
319Q97.7Very high98Very high79 Ų7924 Ų2437%0.36912%0.117SC..THydrogen-bonded Turntrans49.140.2-175.7-64-179.9-41.100112.4N172 Y173 V174 K315 A316 L317N172-Q319 WeakPolarHBondContact O-CB 3.46Å; N172-Q319 WeakPolarHBondContact O-CG 3.46Å; Y173-Q319 VanDerWaalsContact CA-O 3.31Å; Y173-Q319 WeakPolarHBondContact CA-O 3.48Å; V174-Q319 WeakPolarHBondContact CG2-O 3.44Å; V174-Q319 PolarHBondContact N-O 3.43Å; K315-Q319 WeakPolarHBondContact O-CA 3.47Å; K315-Q319 PolarHBondContact O-N 3.47Å; A316-Q319 PolarHBondContact O-N 3.36Å; L317-Q319 VanDerWaalsContact C-N 3.25Å; L317-Q319 PolarHBondContact O-N 2.97Å
320R95.9Very high98Very high25 Ų2525.3 Ų25.39%0.09412%0.122CC..BIsolated β-bridgetrans-129.7138.8-178.1179.9167.1168.8111.7-0.7110L23 W24 A28 V174 E176 K315 S318L23-R320 PolarHBondContact O-NH2 2.67Å; W24-R320 WeakPolarHBondContact O-CD 3.24Å; W24-R320 PolarHBondContact O-NE 3.18Å; A28-R320 HydrophobicContact CB-CB 4.43Å; V174-R320 HydrophobicContact CG2-CB 4.34Å; V174-R320 HydrophobicContact CG2-CG 4.41Å; E176-R320 IonicContact OE2-CZ 3.79Å; E176-R320 IonicContact OE2-NH1 3.17Å; E176-R320 IonicContact OE2-NH2 3.48Å; E176-R320 PolarHBondContact OE2-NH2 2.6Å; K315-R320 WeakPolarHBondContact CB-O 3.3Å; K315-R320 PolarHBondContact O-N 2.79Å; K315-R320 VanDerWaalsContact O-N 3.14Å; S318-R320 PolarHBondContact O-N 2.99Å
321D96.3Very high98Very high54 Ų5425.4 Ų25.429%0.28912%0.122SC..SBendtrans65161-174.9-53.9-41.1000113.6Y173 V174 K315 P323Y173-D321 WeakPolarHBondContact CD2-O 3.42Å; V174-D321 PolarHBondContact O-N 2.87Å; K315-D321 HydrophobicContact CD-CB 4.4Å; D321-P323 WeakPolarHBondContact O-CD 3.18Å
322A97.1Very high97.9Very high37 Ų3723.1 Ų23.131%0.30612%0.119SC..PPolyproline II helixtrans-71124.6179.700000110.2Y173 K315Y173-A322 VanDerWaalsContact CE2-CA 3.5Å; Y173-A322 HydrophobicContact CE2-CB 3.81Å; K315-A322 PolarHBondContact NZ-O 3.15Å
323P97.8Very high97.8Very high14 Ų1426.5 Ų26.59%0.09113%0.132CC..PPolyproline II helixtrans-71.3150.9170.229-34.4000111.1L167 F212 E312 D321L167-P323 HydrophobicContact CD1-CB 3.61Å; L167-P323 HydrophobicContact CD1-CG 3.67Å; F212-P323 HydrophobicContact CE2-CG 4.16Å; F212-P323 HydrophobicContact CZ-CB 4.14Å; F212-P323 HydrophobicContact CZ-CG 3.73Å; E312-P323 VanDerWaalsContact OE2-CA 3.24Å; E312-P323 WeakPolarHBondContact OE2-CA 3.34Å; D321-P323 WeakPolarHBondContact O-CD 3.18Å
324H98.3Very high97.7Very high53 Ų5332.1 Ų32.125%0.24516%0.156CC..PPolyproline II helixtrans-58.3142.4164.4-70174.5000109.8C165 F212 E312 V339C165-H324 PolarHBondContact SG-O 3.08Å; F212-H324 WeakPolarHBondContact CE1-O 3.44Å; E312-H324 HydrophobicContact CG-CB 4.38Å; E312-H324 IonicContact OE1-CD2 2.79Å; E312-H324 IonicContact OE1-CE1 3.86Å; E312-H324 IonicContact OE1-CG 3.88Å; E312-H324 IonicContact OE1-ND1 3.8Å; E312-H324 IonicContact OE1-NE2 2.77Å; E312-H324 IonicContact OE2-CG 3.76Å; E312-H324 PolarHBondContact OE2-N 2.76Å; H324-V339 HydrophobicContact CB-CG1 3.92Å; H324-V339 HydrophobicContact CB-CG2 4.43Å
325R95.8Very high97.5Very high98 Ų9834.6 Ų34.637%0.3718%0.183SC..  trans-136.2106.4-174.8-172.1179.9178.4-133.1-0.7109.4S211 F212 D340 Y341S211-R325 PolarHBondContact O-NE 3.2Å; S211-R325 PolarHBondContact O-NH2 3.42Å; F212-R325 HydrophobicContact CD1-CG 4.28Å; F212-R325 HydrophobicContact CE1-CB 4.07Å; F212-R325 HydrophobicContact CE1-CG 3.91Å; F212-R325 HydrophobicContact CZ-CB 4.27Å; F212-R325 HydrophobicContact CZ-CG 4.22Å; R325-D340 CarbonylContact C-O 3.57Å; R325-D340 CarbonylContact O-C 3.54Å; R325-Y341 HydrophobicContact CG-CD2 3.71Å; R325-Y341 HydrophobicContact CG-CE2 4.17Å; R325-Y341 WeakPolarHBondContact O-CA 3.44Å; R325-Y341 WeakPolarHBondContact O-CB 3.31Å
326N97Very high97.4Very high0 Ų037 Ų370%020%0.197CC..SBendcis-126.4-6.5-8.460.5-12000113.1F164 C165 F212 C213 D340 Y341 F342F164-N326 CarbonylContact C-O 3.49Å; F164-N326 VanDerWaalsContact CA-O 3.31Å; F164-N326 WeakPolarHBondContact CA-O 3.33Å; F164-N326 HydrophobicContact CD2-CB 4.48Å; F164-N326 HydrophobicContact CE2-CB 4.28Å; F164-N326 WeakPolarHBondContact CE2-ND2 3.45Å; C165-N326 PolarHBondContact N-O 3.14Å; C165-N326 WeakPolarHBondContact O-CB 3.35Å; F212-N326 HydrophobicContact CD1-CB 4.07Å; F212-N326 HydrophobicContact CE1-CB 4.35Å; C213-N326 PolarHBondContact SG-ND2 3.18Å; N326-D340 PolarHBondContact N-O 2.81Å; N326-D340 VanDerWaalsContact N-O 3.11Å; N326-Y341 HydrophobicContact CB-CD2 4.24Å; N326-F342 PolarHBondContact ND2-O 2.93Å; N326-F342 PolarHBondContact OD1-N 3.3Å; N326-F342 PolarHBondContact OD1-O 3.02Å
327F98.8Very high97.4Very high0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-112.4145.8171.2-83.9-85.3000111.1Y162 M163 F164 L215 A218 L219 L242 F329 V339 D340 F342Y162-F327 HydrophobicContact CD2-CD1 4.04Å; Y162-F327 AromaticContact CD2-CE1 3.84Å; Y162-F327 HydrophobicContact CD2-CE1 3.84Å; Y162-F327 HydrophobicContact CE2-CE1 4.09Å; M163-F327 CarbonylContact O-C 3.42Å; M163-F327 VanDerWaalsContact O-CA 3.27Å; M163-F327 WeakPolarHBondContact O-CA 3.43Å; M163-F327 WeakPolarHBondContact O-CD1 3.44Å; F164-F327 HydrophobicContact CB-CD1 3.96Å; F164-F327 HydrophobicContact CB-CE1 3.6Å; F164-F327 HydrophobicContact CB-CZ 3.97Å; F164-F327 HydrophobicContact CD2-CD1 4.37Å; F164-F327 AromaticContact CD2-CD2 3.87Å; F164-F327 HydrophobicContact CD2-CD2 3.87Å; F164-F327 HydrophobicContact CD2-CE1 4Å; F164-F327 AromaticContact CD2-CE2 3.47Å; F164-F327 HydrophobicContact CD2-CE2 3.47Å; F164-F327 VanDerWaalsContact CD2-CE2 3.47Å; F164-F327 HydrophobicContact CD2-CG 4.32Å; F164-F327 AromaticContact CD2-CZ 3.53Å; F164-F327 HydrophobicContact CD2-CZ 3.53Å; F164-F327 HydrophobicContact CE2-CE2 4.07Å; F164-F327 HydrophobicContact CE2-CZ 4.39Å; F164-F327 HydrophobicContact CG-CE1 4.21Å; F164-F327 HydrophobicContact CG-CE2 4.43Å; F164-F327 HydrophobicContact CG-CZ 4.07Å; L215-F327 HydrophobicContact CD1-CZ 3.98Å; A218-F327 HydrophobicContact CB-CE2 3.71Å; L219-F327 HydrophobicContact CD2-CZ 4.13Å; L242-F327 HydrophobicContact CD2-CD1 4.41Å; L242-F327 HydrophobicContact CD2-CE1 3.61Å; L242-F327 HydrophobicContact CD2-CZ 4.17Å; F327-F329 HydrophobicContact CB-CD2 4.2Å; F327-F329 HydrophobicContact CB-CE2 3.48Å; F327-F329 VanDerWaalsContact CB-CE2 3.48Å; F327-F329 HydrophobicContact CB-CZ 3.9Å; F327-F329 HydrophobicContact CD1-CE1 4.24Å; F327-F329 HydrophobicContact CD1-CE2 4.13Å; F327-F329 AromaticContact CD1-CZ 3.62Å; F327-F329 HydrophobicContact CD1-CZ 3.62Å; F327-F329 HydrophobicContact CE1-CZ 4.29Å; F327-F329 AromaticContact CG-CE2 3.96Å; F327-F329 HydrophobicContact CG-CE2 3.96Å; F327-F329 AromaticContact CG-CZ 3.86Å; F327-F329 HydrophobicContact CG-CZ 3.86Å; F327-V339 VanDerWaalsContact O-CA 3.32Å; F327-V339 WeakPolarHBondContact O-CA 3.22Å; F327-D340 PolarHBondContact N-O 2.95Å; F327-D340 PolarHBondContact O-N 2.92Å; F327-F342 HydrophobicContact CB-CD2 4.09Å; F327-F342 HydrophobicContact CB-CE2 4.32Å; F327-F342 HydrophobicContact CD2-CB 4.11Å; F327-F342 AromaticContact CD2-CD2 3.65Å; F327-F342 HydrophobicContact CD2-CD2 3.65Å; F327-F342 HydrophobicContact CD2-CG 4.26Å; F327-F342 HydrophobicContact CE2-CB 4.28Å; F327-F342 HydrophobicContact CE2-CD2 4.45Å; F327-F342 HydrophobicContact CG-CD2 4.18Å
328F98.8Very high97.4Very high14 Ų1441.6 Ų41.66%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-122.2135160.1158.6-87.9000108.7Y162 M163 V308 F330 V338 V339Y162-F328 CarbonylContact C-O 3.57Å; Y162-F328 WeakPolarHBondContact CA-O 3.33Å; M163-F328 HydrophobicContact CG-CB 3.57Å; M163-F328 HydrophobicContact CG-CD1 3.87Å; M163-F328 HydrophobicContact CG-CG 4.16Å; M163-F328 PolarHBondContact N-O 3.35Å; M163-F328 PolarHBondContact O-N 3.14Å; M163-F328 HydrophobicContact SD-CB 4.17Å; V308-F328 HydrophobicContact CB-CD1 4.4Å; V308-F328 HydrophobicContact CB-CE1 4.17Å; V308-F328 HydrophobicContact CB-CZ 4.46Å; V308-F328 HydrophobicContact CG1-CD1 3.93Å; V308-F328 HydrophobicContact CG1-CD2 4.32Å; V308-F328 HydrophobicContact CG1-CE1 4.13Å; V308-F328 HydrophobicContact CG1-CE2 4.49Å; V308-F328 HydrophobicContact CG1-CG 4.03Å; V308-F328 HydrophobicContact CG1-CZ 4.41Å; V308-F328 HydrophobicContact CG2-CE1 4.06Å; V308-F328 HydrophobicContact CG2-CE2 4.36Å; V308-F328 HydrophobicContact CG2-CZ 3.88Å; F328-F330 HydrophobicContact CE1-CB 3.82Å; F328-F330 HydrophobicContact CZ-CB 3.9Å; F328-F330 HydrophobicContact CZ-CD2 4.42Å; F328-V338 CarbonylContact C-O 3.59Å; F328-V338 VanDerWaalsContact CA-O 3.28Å; F328-V338 WeakPolarHBondContact CA-O 3.04Å; F328-V339 HydrophobicContact CB-CG2 4.28Å; F328-V339 HydrophobicContact CD2-CG2 4.04Å
329F98.8Very high97.4Very high4 Ų444.5 Ų44.52%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-120.6138.3176.6-64.5-78.8000109.8P236 D238 Y239 L242 F327 G337 V338 F342P236-F329 HydrophobicContact CB-CD2 4.36Å; P236-F329 HydrophobicContact CG-CD2 3.83Å; P236-F329 HydrophobicContact CG-CE2 4.18Å; D238-F329 HydrophobicContact CB-CB 3.76Å; D238-F329 HydrophobicContact CB-CD1 3.68Å; D238-F329 HydrophobicContact CB-CE1 4.5Å; D238-F329 HydrophobicContact CB-CG 3.81Å; Y239-F329 HydrophobicContact CD2-CE2 4.47Å; Y239-F329 HydrophobicContact CD2-CZ 4.02Å; Y239-F329 HydrophobicContact CG-CZ 4.5Å; L242-F329 HydrophobicContact CB-CE1 4.26Å; L242-F329 HydrophobicContact CD2-CE1 4.13Å; L242-F329 HydrophobicContact CD2-CZ 4.42Å; F327-F329 HydrophobicContact CB-CD2 4.2Å; F327-F329 HydrophobicContact CB-CE2 3.48Å; F327-F329 VanDerWaalsContact CB-CE2 3.48Å; F327-F329 HydrophobicContact CB-CZ 3.9Å; F327-F329 HydrophobicContact CD1-CE1 4.24Å; F327-F329 HydrophobicContact CD1-CE2 4.13Å; F327-F329 AromaticContact CD1-CZ 3.62Å; F327-F329 HydrophobicContact CD1-CZ 3.62Å; F327-F329 HydrophobicContact CE1-CZ 4.29Å; F327-F329 AromaticContact CG-CE2 3.96Å; F327-F329 HydrophobicContact CG-CE2 3.96Å; F327-F329 AromaticContact CG-CZ 3.86Å; F327-F329 HydrophobicContact CG-CZ 3.86Å; F329-G337 CarbonylContact O-C 3.57Å; F329-G337 WeakPolarHBondContact O-CA 3.33Å; F329-V338 PolarHBondContact N-O 2.8Å; F329-V338 PolarHBondContact O-N 2.79Å; F329-F342 HydrophobicContact CE2-CD2 4.5Å; F329-F342 AromaticContact CE2-CE2 3.74Å; F329-F342 HydrophobicContact CE2-CE2 3.74Å; F329-F342 HydrophobicContact CE2-CZ 4.38Å; F329-F342 HydrophobicContact CZ-CE2 4.48Å
330F98.8Very high97.4Very high27 Ų2743.4 Ų43.412%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-122.8127.4177.3-179.8-107.4000110.8Y160 G161 V301 V304 V305 F328 G332 N336Y160-F330 CarbonylContact C-O 3.53Å; Y160-F330 VanDerWaalsContact CA-O 3.28Å; Y160-F330 WeakPolarHBondContact CA-O 3.17Å; G161-F330 PolarHBondContact N-O 3.24Å; G161-F330 PolarHBondContact O-N 2.89Å; V301-F330 HydrophobicContact CG1-CD1 3.85Å; V301-F330 HydrophobicContact CG1-CE1 4.09Å; V301-F330 HydrophobicContact CG2-CE1 4.24Å; V304-F330 HydrophobicContact CB-CE1 4.25Å; V304-F330 HydrophobicContact CB-CZ 4.26Å; V304-F330 HydrophobicContact CG1-CD1 4.2Å; V304-F330 HydrophobicContact CG1-CD2 3.79Å; V304-F330 HydrophobicContact CG1-CE1 4.13Å; V304-F330 HydrophobicContact CG1-CE2 3.75Å; V304-F330 HydrophobicContact CG1-CG 4Å; V304-F330 HydrophobicContact CG1-CZ 3.91Å; V304-F330 HydrophobicContact CG2-CE1 4.43Å; V304-F330 HydrophobicContact CG2-CZ 4.11Å; V305-F330 HydrophobicContact CG2-CB 4.19Å; V305-F330 HydrophobicContact CG2-CD1 4.4Å; F328-F330 HydrophobicContact CE1-CB 3.82Å; F328-F330 HydrophobicContact CZ-CB 3.9Å; F328-F330 HydrophobicContact CZ-CD2 4.42Å; F330-G332 VanDerWaalsContact CE1-CA 3.47Å; F330-N336 WeakPolarHBondContact CA-O 3.16Å; F330-N336 VanDerWaalsContact CD2-O 3.31Å; F330-N336 WeakPolarHBondContact CD2-O 3.09Å
331D98.3Very high97.3Very high4 Ų444.9 Ų44.92%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-115.599.9169.8-177.4-15.9000108.3Y160 R333 K334 G335 N336Y160-D331 HydrophobicContact CD1-CB 4.24Å; Y160-D331 HydrophobicContact CE1-CB 4.32Å; D331-R333 PolarHBondContact O-N 2.6Å; D331-R333 VanDerWaalsContact OD1-CB 3.23Å; D331-R333 WeakPolarHBondContact OD1-CB 2.95Å; D331-R333 WeakPolarHBondContact OD1-CG 3.3Å; D331-R333 IonicContact OD1-CZ 3.66Å; D331-R333 PolarHBondContact OD1-N 2.83Å; D331-R333 IonicContact OD1-NE 3.12Å; D331-R333 PolarHBondContact OD1-NE 2.85Å; D331-R333 IonicContact OD1-NH2 3.57Å; D331-R333 IonicContact OD2-CZ 2.72Å; D331-R333 IonicContact OD2-NE 3.28Å; D331-R333 PolarHBondContact OD2-NE 3.42Å; D331-R333 IonicContact OD2-NH2 2.69Å; D331-R333 PolarHBondContact OD2-NH2 2.62Å; D331-K334 PolarHBondContact O-N 2.83Å; D331-K334 VanDerWaalsContact O-N 3.16Å; D331-K334 WeakPolarHBondContact OD2-CD 2.95Å; D331-K334 WeakPolarHBondContact OD2-CE 3.06Å; D331-K334 IonicContact OD2-NZ 2.97Å; D331-K334 PolarHBondContact OD2-NZ 3.37Å; D331-G335 PolarHBondContact O-N 3.41Å; D331-N336 PolarHBondContact N-O 3.21Å; D331-N336 PolarHBondContact O-N 3.47Å
332G97.8Very high97.3Very high28 Ų2842.8 Ų42.829%0.28924%0.243SC..THydrogen-bonded Turntrans-65.7-15.7-177.700000114.3Y159 F330Y159-G332 PolarHBondContact O-N 2.94Å; F330-G332 VanDerWaalsContact CE1-CA 3.47Å
333R96.9Very high96.9Very high74 Ų7442 Ų4228%0.27924%0.238SC..THydrogen-bonded Turntrans-74.9-34.2176-49.4171-59.9160.43.6111.1Y159 Y160 D289 Y293 D331Y159-R333 HydrophobicContact CD1-CG 4.09Å; Y159-R333 HydrophobicContact CG-CG 3.9Å; Y160-R333 PolarHBondContact OH-NE 2.89Å; Y160-R333 PolarHBondContact OH-NH1 3.42Å; Y160-R333 PolarHBondContact OH-NH2 3.19Å; D289-R333 IonicContact OD2-CZ 2.69Å; D289-R333 IonicContact OD2-NH1 2.61Å; D289-R333 PolarHBondContact OD2-NH1 2.99Å; Y293-R333 HydrophobicContact CD1-CG 4.22Å; Y293-R333 HydrophobicContact CG-CG 4.34Å; D331-R333 PolarHBondContact O-N 2.6Å; D331-R333 VanDerWaalsContact OD1-CB 3.23Å; D331-R333 WeakPolarHBondContact OD1-CB 2.95Å; D331-R333 WeakPolarHBondContact OD1-CG 3.3Å; D331-R333 IonicContact OD1-CZ 3.66Å; D331-R333 PolarHBondContact OD1-N 2.83Å; D331-R333 IonicContact OD1-NE 3.12Å; D331-R333 PolarHBondContact OD1-NE 2.85Å; D331-R333 IonicContact OD1-NH2 3.57Å; D331-R333 IonicContact OD2-CZ 2.72Å; D331-R333 IonicContact OD2-NE 3.28Å; D331-R333 PolarHBondContact OD2-NE 3.42Å; D331-R333 IonicContact OD2-NH2 2.69Å; D331-R333 PolarHBondContact OD2-NH2 2.62Å
334K95.9Very high96.1Very high118 Ų11845.1 Ų45.151%0.51326%0.259SS..THydrogen-bonded Turntrans-98.9-16.4-179-60.5175-171.4159.40112.3D331 N336D331-K334 PolarHBondContact O-N 2.83Å; D331-K334 VanDerWaalsContact O-N 3.16Å; D331-K334 WeakPolarHBondContact OD2-CD 2.95Å; D331-K334 WeakPolarHBondContact OD2-CE 3.06Å; D331-K334 IonicContact OD2-NZ 2.97Å; D331-K334 PolarHBondContact OD2-NZ 3.37Å; K334-N336 VanDerWaalsContact C-N 3.25Å; K334-N336 HydrophobicContact CB-CB 4.28Å
335G95.6Very high94.3Very high56 Ų5650.7 Ų50.758%0.57729%0.29SS*.THydrogen-bonded Turntrans69.524.7-171.800000112.7D331D331-G335 PolarHBondContact O-N 3.41Å
336N95.7Very high94.2Very high83 Ų8348.3 Ų48.344%0.44429%0.286SS..EExtended strand (participates in β ladder)trans-94.5130.9-175.9-73.2-17.6000110.6F330 D331 K334F330-N336 WeakPolarHBondContact CA-O 3.16Å; F330-N336 VanDerWaalsContact CD2-O 3.31Å; F330-N336 WeakPolarHBondContact CD2-O 3.09Å; D331-N336 PolarHBondContact N-O 3.21Å; D331-N336 PolarHBondContact O-N 3.47Å; K334-N336 VanDerWaalsContact C-N 3.25Å; K334-N336 HydrophobicContact CB-CB 4.28Å
337G97.8Very high94.1Very high47 Ų4750.8 Ų50.849%0.48530%0.301SS..EExtended strand (participates in β ladder)trans-116.9114.5165.200000109.6F329F329-G337 CarbonylContact O-C 3.57Å; F329-G337 WeakPolarHBondContact O-CA 3.33Å
338V98.1Very high93.8Very high56 Ų5653.7 Ų53.734%0.33932%0.318SS..EExtended strand (participates in β ladder)trans-116.2127.9-174.7-178.60000109.4P236 F328 F329P236-V338 HydrophobicContact CB-CG1 4.3Å; P236-V338 HydrophobicContact CG-CG1 4.28Å; F328-V338 CarbonylContact C-O 3.59Å; F328-V338 VanDerWaalsContact CA-O 3.28Å; F328-V338 WeakPolarHBondContact CA-O 3.04Å; F329-V338 PolarHBondContact N-O 2.8Å; F329-V338 PolarHBondContact O-N 2.79Å
339V98.3Very high93.5Very high64 Ų6456 Ų5639%0.38833%0.333SS..EExtended strand (participates in β ladder)trans-102.8129.2170.7-178.60000108.3H324 F327 F328H324-V339 HydrophobicContact CB-CG1 3.92Å; H324-V339 HydrophobicContact CB-CG2 4.43Å; F327-V339 VanDerWaalsContact O-CA 3.32Å; F327-V339 WeakPolarHBondContact O-CA 3.22Å; F328-V339 HydrophobicContact CB-CG2 4.28Å; F328-V339 HydrophobicContact CD2-CG2 4.04Å
340D97Very high93.2Very high55 Ų5559.3 Ų59.329%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-145.6158.9175.1-151.3-12.3000111P236 R325 N326 F327 F342P236-D340 WeakPolarHBondContact CD-OD2 3.21Å; P236-D340 HydrophobicContact CG-CB 4.41Å; R325-D340 CarbonylContact C-O 3.57Å; R325-D340 CarbonylContact O-C 3.54Å; N326-D340 PolarHBondContact N-O 2.81Å; N326-D340 VanDerWaalsContact N-O 3.11Å; F327-D340 PolarHBondContact N-O 2.95Å; F327-D340 PolarHBondContact O-N 2.92Å; D340-F342 HydrophobicContact CB-CE2 3.76Å; D340-F342 HydrophobicContact CB-CZ 4.28Å
341Y95.6Very high92.8Very high57 Ų5761.4 Ų61.422%0.22437%0.368CS..  trans-105.5121-178.7176.9-109000110.7R325 N326 P344R325-Y341 HydrophobicContact CG-CD2 3.71Å; R325-Y341 HydrophobicContact CG-CE2 4.17Å; R325-Y341 WeakPolarHBondContact O-CA 3.44Å; R325-Y341 WeakPolarHBondContact O-CB 3.31Å; N326-Y341 HydrophobicContact CB-CD2 4.24Å; Y341-P344 WeakPolarHBondContact CE1-O 3.49Å; Y341-P344 PolarHBondContact OH-O 3.1Å
342F95.3Very high92.4Very high9 Ų965.5 Ų65.54%0.03939%0.393CS..  trans-116.6126.5173.3-61.4-91.9000109.4C213 A218 V221 W223 T235 P236 Y239 N326 F327 F329 D340C213-F342 PolarHBondContact SG-O 3.29Å; A218-F342 WeakPolarHBondContact CA-O 3.27Å; A218-F342 HydrophobicContact CB-CB 4.31Å; A218-F342 WeakPolarHBondContact CB-O 3.36Å; A218-F342 WeakPolarHBondContact O-CB 3.19Å; V221-F342 HydrophobicContact CG2-CB 4.17Å; V221-F342 HydrophobicContact CG2-CD1 4.3Å; W223-F342 HydrophobicContact CH2-CE1 4.21Å; W223-F342 HydrophobicContact CZ2-CD1 4.46Å; W223-F342 HydrophobicContact CZ2-CE1 4.22Å; T235-F342 HydrophobicContact CG2-CE1 3.65Å; T235-F342 HydrophobicContact CG2-CZ 3.77Å; P236-F342 HydrophobicContact CG-CE2 4.46Å; P236-F342 HydrophobicContact CG-CZ 4.1Å; Y239-F342 HydrophobicContact CD1-CD1 4.44Å; Y239-F342 AromaticContact CD1-CE1 3.97Å; Y239-F342 HydrophobicContact CD1-CE1 3.97Å; Y239-F342 AromaticContact CD2-CD1 3.53Å; Y239-F342 HydrophobicContact CD2-CD1 3.53Å; Y239-F342 AromaticContact CD2-CD2 3.86Å; Y239-F342 HydrophobicContact CD2-CD2 3.86Å; Y239-F342 AromaticContact CD2-CE1 3.41Å; Y239-F342 HydrophobicContact CD2-CE1 3.41Å; Y239-F342 VanDerWaalsContact CD2-CE1 3.41Å; Y239-F342 AromaticContact CD2-CE2 3.76Å; Y239-F342 HydrophobicContact CD2-CE2 3.76Å; Y239-F342 AromaticContact CD2-CG 3.74Å; Y239-F342 HydrophobicContact CD2-CG 3.74Å; Y239-F342 AromaticContact CD2-CZ 3.52Å; Y239-F342 HydrophobicContact CD2-CZ 3.52Å; Y239-F342 HydrophobicContact CE1-CD1 4.34Å; Y239-F342 HydrophobicContact CE1-CE1 4.3Å; Y239-F342 HydrophobicContact CE2-CB 4.05Å; Y239-F342 AromaticContact CE2-CD1 3.39Å; Y239-F342 HydrophobicContact CE2-CD1 3.39Å; Y239-F342 HydrophobicContact CE2-CD2 4.12Å; Y239-F342 AromaticContact CE2-CE1 3.77Å; Y239-F342 HydrophobicContact CE2-CE1 3.77Å; Y239-F342 HydrophobicContact CE2-CE2 4.43Å; Y239-F342 AromaticContact CE2-CG 3.57Å; Y239-F342 HydrophobicContact CE2-CG 3.57Å; Y239-F342 HydrophobicContact CE2-CZ 4.27Å; Y239-F342 HydrophobicContact CG-CD1 4.07Å; Y239-F342 AromaticContact CG-CE1 3.52Å; Y239-F342 HydrophobicContact CG-CE1 3.52Å; Y239-F342 HydrophobicContact CG-CE2 4.32Å; Y239-F342 AromaticContact CG-CZ 3.66Å; Y239-F342 HydrophobicContact CG-CZ 3.66Å; Y239-F342 AromaticContact CZ-CD1 3.83Å; N326-F342 PolarHBondContact ND2-O 2.93Å; N326-F342 PolarHBondContact OD1-N 3.3Å; N326-F342 PolarHBondContact OD1-O 3.02Å; F327-F342 HydrophobicContact CB-CD2 4.09Å; F327-F342 HydrophobicContact CB-CE2 4.32Å; F327-F342 HydrophobicContact CD2-CB 4.11Å; F327-F342 AromaticContact CD2-CD2 3.65Å; F327-F342 HydrophobicContact CD2-CD2 3.65Å; F327-F342 HydrophobicContact CD2-CG 4.26Å; F327-F342 HydrophobicContact CE2-CB 4.28Å; F327-F342 HydrophobicContact CE2-CD2 4.45Å; F327-F342 HydrophobicContact CG-CD2 4.18Å; F329-F342 HydrophobicContact CE2-CD2 4.5Å; F329-F342 AromaticContact CE2-CE2 3.74Å; F329-F342 HydrophobicContact CE2-CE2 3.74Å; F329-F342 HydrophobicContact CE2-CZ 4.38Å; F329-F342 HydrophobicContact CZ-CE2 4.48Å; D340-F342 HydrophobicContact CB-CE2 3.76Å; D340-F342 HydrophobicContact CB-CZ 4.28Å
343G89.4Confident92Very high20 Ų2068.4 Ų68.421%0.20640%0.401CS..SBendtrans153.4-178.7-179.800000112.9
344P81Confident91.6Very high80 Ų8067.9 Ų67.952%0.51941%0.411SS..  trans-61.7148.8172.125.1-32.5000110.4C213 A217 Y341C213-P344 HydrophobicContact CB-CG 4.28Å; A217-P344 HydrophobicContact CB-CG 4.44Å; Y341-P344 WeakPolarHBondContact CE1-O 3.49Å; Y341-P344 PolarHBondContact OH-O 3.1Å
345N59.8Low91.2Very high170 Ų17063.4 Ų63.491%0.90940%0.402SS*.  trans-78.40178.1-69.2-70000112.8K227K227-N345 WeakPolarHBondContact CD-ND2 3.4Å; K227-N345 WeakPolarHBondContact CE-ND2 3.36Å; K227-N345 PolarHBondContact NZ-ND2 3.31Å; K227-N345 PolarHBondContact NZ-OD1 3.35Å

Retrieved 345 of 345 residues in 68.8 ms (Link to these results)

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