A0A087XW01_POEFO Loading...

Queuine tRNA-ribosyltransferase accessory subunit 2

Non-catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine).

AlphaFold DB , UniProt , Accession A0A087XW01, Species POEFO (Poecilia formosa, Amazon molly), Gene QTRT2, Length 418 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
1M32.4Very low70.7Confident250 Ų25089 Ų89100%1.23249%0.494SS*.  085.40-72.1-143.3-91.700108
2A32.6Very low72.3Confident60 Ų6086.8 Ų86.850%0.49648%0.476SS..  trans-109.398.9169.400000106.2
3G42.6Very low73.5Confident65 Ų6585.6 Ų85.667%0.6747%0.473SS*.  trans-59.9150.5172.100000110.2R5G3-R5 PolarHBondContact O-N 3.06Å
4S51.3Low73.9Confident53 Ų5380.4 Ų80.437%0.37144%0.444SS..  trans-42.3127.3174.4174.70000110.8M6 S193S4-M6 VanDerWaalsContact C-N 3.3Å; S4-S193 PolarHBondContact OG-OG 3.38Å
5R68.2Low73.8Confident153 Ų15384.9 Ų84.958%0.57746%0.461SS*.  trans-78.9-11.5-177.4-70.3179.6175175.1-2.1113.3G3 K7 E25G3-R5 PolarHBondContact O-N 3.06Å; R5-K7 PolarHBondContact O-N 2.75Å; R5-E25 HydrophobicContact CB-CB 4.43Å; R5-E25 VanDerWaalsContact O-CB 3.26Å; R5-E25 WeakPolarHBondContact O-CB 3.24Å
6M86.7Confident73.8Confident26 Ų2683.5 Ų83.513%0.12847%0.472CS..  trans-66.6123.1-175.9-176.8178.668.500110.3S4 L23 K24 I26 W146 F195 A220 P253S4-M6 VanDerWaalsContact C-N 3.3Å; M6-L23 HydrophobicContact CE-CD2 4.43Å; M6-L23 HydrophobicContact CG-CD2 4.02Å; M6-L23 HydrophobicContact SD-CD1 4.43Å; M6-L23 HydrophobicContact SD-CD2 3.96Å; M6-K24 WeakPolarHBondContact CA-O 3.37Å; M6-I26 HydrophobicContact CG-CG1 4.39Å; M6-W146 HydrophobicContact SD-CH2 4.31Å; M6-W146 HydrophobicContact SD-CZ2 3.47Å; M6-W146 WeakPolarHBondContact SD-CZ2 3.34Å; M6-F195 HydrophobicContact CE-CE2 4.38Å; M6-F195 HydrophobicContact CE-CZ 4.21Å; M6-A220 HydrophobicContact CE-CB 4.11Å; M6-A220 WeakPolarHBondContact CE-O 3.49Å; M6-P253 HydrophobicContact CE-CG 3.5Å; M6-P253 VanDerWaalsContact CE-CG 3.5Å; M6-P253 HydrophobicContact SD-CG 4.34Å
7K89.9Confident74.3Confident105 Ų10585.2 Ų85.246%0.45747%0.47SS..EExtended strand (participates in β ladder)trans-116126.8178.3-69.3173.6-169.7153.90109.8R5 L23 K24 E25R5-K7 PolarHBondContact O-N 2.75Å; K7-L23 WeakPolarHBondContact O-CA 3.43Å; K7-K24 PolarHBondContact N-O 3.35Å; K7-K24 PolarHBondContact O-N 2.94Å; K7-E25 WeakPolarHBondContact CE-OE2 3.29Å; K7-E25 VanDerWaalsContact NZ-CD 3.29Å; K7-E25 IonicContact NZ-OE1 2.75Å; K7-E25 PolarHBondContact NZ-OE1 3.41Å; K7-E25 IonicContact NZ-OE2 3.06Å; K7-E25 PolarHBondContact NZ-OE2 3.27Å
8L94.4Very high75.3Confident25 Ų2580.6 Ų80.613%0.13144%0.444CS..EExtended strand (participates in β ladder)trans-91.8120.7171.6-178.462.1000110.2L10 L23 I36 D251L8-L10 HydrophobicContact CD1-CD2 4.29Å; L8-L10 HydrophobicContact CD2-CD2 4.13Å; L8-L10 HydrophobicContact CG-CD2 4.13Å; L8-L23 HydrophobicContact CB-CD2 3.71Å; L8-L23 HydrophobicContact CD1-CD2 3.48Å; L8-L23 VanDerWaalsContact CD1-CD2 3.48Å; L8-L23 HydrophobicContact CD1-CG 3.77Å; L8-L23 HydrophobicContact CG-CD2 4.09Å; L8-I36 HydrophobicContact CD1-CD1 3.48Å; L8-I36 VanDerWaalsContact CD1-CD1 3.48Å; L8-I36 HydrophobicContact CD1-CG1 4.13Å; L8-I36 HydrophobicContact CD2-CD1 4.42Å; L8-D251 WeakPolarHBondContact CB-O 3.08Å
9E94.4Very high76.3Confident91 Ų9176.7 Ų76.743%0.42542%0.422SS..EExtended strand (participates in β ladder)trans-112.4113.4174.8-68.7-178.1-168.100109.8G21 Q22 K24E9-G21 CarbonylContact O-C 3.57Å; E9-G21 WeakPolarHBondContact O-CA 3.37Å; E9-Q22 PolarHBondContact N-O 2.82Å; E9-Q22 PolarHBondContact O-N 3.35Å; E9-K24 IonicContact OE1-NZ 3.85Å; E9-K24 VanDerWaalsContact OE2-CE 3.24Å; E9-K24 WeakPolarHBondContact OE2-CE 3.46Å; E9-K24 IonicContact OE2-NZ 3.4Å; E9-K24 PolarHBondContact OE2-NZ 3.1Å
10L93.8Very high77.3Confident60 Ų6073.9 Ų73.931%0.31441%0.406SS..EExtended strand (participates in β ladder)trans-87.2123.9175.7-59.5-179.9000109.7L8 V13 R19 I36L8-L10 HydrophobicContact CD1-CD2 4.29Å; L8-L10 HydrophobicContact CD2-CD2 4.13Å; L8-L10 HydrophobicContact CG-CD2 4.13Å; L10-V13 HydrophobicContact CD1-CG2 4.09Å; L10-R19 HydrophobicContact CD1-CG 4.4Å; L10-R19 HydrophobicContact CD2-CB 4.01Å; L10-R19 HydrophobicContact CD2-CG 4.31Å; L10-I36 HydrophobicContact CD2-CD1 3.87Å
11S91.5Very high78.2Confident91 Ų9170.8 Ų70.864%0.63639%0.392SS*.EExtended strand (participates in β ladder)trans-85.7-37.5174.764.50000112.1L20S11-L20 PolarHBondContact N-O 2.75Å; S11-L20 WeakPolarHBondContact OG-CG 3.28Å; S11-L20 PolarHBondContact OG-O 3.2Å
12K90.1Very high81.2Confident62 Ų6261.3 Ų61.327%0.2734%0.344SS..EExtended strand (participates in β ladder)trans-153.7141-177.9-165-177.6-171.5-171.40109.8V14 L20 L400 A401 D403K12-V14 HydrophobicContact CD-CG2 3.72Å; K12-V14 HydrophobicContact CG-CG2 3.97Å; K12-L20 HydrophobicContact CB-CB 4.26Å; K12-L20 HydrophobicContact CB-CD2 4.31Å; K12-L20 PolarHBondContact N-O 3.18Å; K12-L20 VanDerWaalsContact N-O 3.11Å; K12-L20 PolarHBondContact O-N 3.36Å; K12-L400 PolarHBondContact NZ-O 3.43Å; K12-A401 PolarHBondContact NZ-O 3.2Å; K12-D403 WeakPolarHBondContact CE-OD1 3.38Å; K12-D403 IonicContact NZ-OD1 3.7Å; K12-D403 PolarHBondContact NZ-OD1 3.3Å; K12-D403 IonicContact NZ-OD2 3.79Å; K12-D403 PolarHBondContact NZ-OD2 3.37Å
13V87.4Confident84.1Confident72 Ų7258.5 Ų58.544%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-116111.1168.1-177.10000107.8L10 C18L10-V13 HydrophobicContact CD1-CG2 4.09Å; V13-C18 CarbonylContact C-O 3.49Å; V13-C18 VanDerWaalsContact CA-O 3.28Å; V13-C18 WeakPolarHBondContact CA-O 3.24Å
14V79.8Confident86.5Confident13 Ų1358.7 Ų58.78%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-94.1133-176.8-178.50000109.2K12 G16 R17 C18 L400K12-V14 HydrophobicContact CD-CG2 3.72Å; K12-V14 HydrophobicContact CG-CG2 3.97Å; V14-G16 PolarHBondContact O-N 3.48Å; V14-R17 PolarHBondContact O-N 3.13Å; V14-C18 HydrophobicContact CB-CB 4.09Å; V14-C18 PolarHBondContact N-O 3.44Å; V14-C18 PolarHBondContact O-N 3.14Å; V14-L400 HydrophobicContact CB-CD2 4.26Å; V14-L400 HydrophobicContact CG2-CD2 4.26Å
15Q72.5Confident88.3Confident147 Ų14759.6 Ų59.669%0.68730%0.302SS*.THydrogen-bonded Turntrans53.127.3-178.8-64.9174-8.700114.1R17Q15-R17 PolarHBondContact O-N 3.47Å
16G73.1Confident89.2Confident63 Ų6352.4 Ų52.465%0.64927%0.274SS*.THydrogen-bonded Turntrans71.13.9178.500000115.6V14V14-G16 PolarHBondContact O-N 3.48Å
17R83.1Confident89Confident113 Ų11352 Ų5243%0.42628%0.277SS..THydrogen-bonded Turntrans-137.2-43.5-177.1-68.3-176.3175.3164-3.3114.4V14 Q15 R19 E246 E270 G272V14-R17 PolarHBondContact O-N 3.13Å; Q15-R17 PolarHBondContact O-N 3.47Å; R17-R19 PolarHBondContact O-N 2.99Å; R17-E246 IonicContact CZ-OE1 2.78Å; R17-E246 IonicContact NE-OE1 2.78Å; R17-E246 IonicContact NH2-OE1 3.4Å; R17-E246 PolarHBondContact NH2-OE1 2.75Å; R17-E270 VanDerWaalsContact CB-O 3.32Å; R17-E270 WeakPolarHBondContact CB-O 3.49Å; R17-G272 VanDerWaalsContact O-CA 3.26Å; R17-G272 WeakPolarHBondContact O-CA 3.46Å
18C91.4Very high88.3Confident1 Ų151.9 Ų51.91%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-71.6125.4-178-51.20000109.9V13 V14 L400V13-C18 CarbonylContact C-O 3.49Å; V13-C18 VanDerWaalsContact CA-O 3.28Å; V13-C18 WeakPolarHBondContact CA-O 3.24Å; V14-C18 HydrophobicContact CB-CB 4.09Å; V14-C18 PolarHBondContact N-O 3.44Å; V14-C18 PolarHBondContact O-N 3.14Å; C18-L400 HydrophobicContact CB-CD2 3.47Å; C18-L400 VanDerWaalsContact CB-CD2 3.47Å
19R94.3Very high87.5Confident8 Ų857.1 Ų57.13%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-109.1115.5-173.3-73.1151.458.9101.8-8.6110.8L10 R17 I36 P37 E250 K252 D274L10-R19 HydrophobicContact CD1-CG 4.4Å; L10-R19 HydrophobicContact CD2-CB 4.01Å; L10-R19 HydrophobicContact CD2-CG 4.31Å; R17-R19 PolarHBondContact O-N 2.99Å; R19-I36 HydrophobicContact CB-CD1 4.37Å; R19-P37 WeakPolarHBondContact O-CD 3.17Å; R19-E250 VanDerWaalsContact CZ-O 3.27Å; R19-E250 VanDerWaalsContact NH1-CA 3.34Å; R19-E250 PolarHBondContact NH1-O 3.43Å; R19-E250 PolarHBondContact NH2-O 3.13Å; R19-K252 PolarHBondContact NH2-O 3.04Å; R19-K252 VanDerWaalsContact NH2-O 3.07Å; R19-D274 WeakPolarHBondContact CB-OD1 3.45Å; R19-D274 WeakPolarHBondContact CD-OD1 3.47Å; R19-D274 IonicContact CZ-OD1 3.03Å; R19-D274 IonicContact CZ-OD2 3.87Å; R19-D274 IonicContact NE-OD1 3.7Å; R19-D274 PolarHBondContact NE-OD1 2.81Å; R19-D274 IonicContact NE-OD2 2.65Å; R19-D274 PolarHBondContact NE-OD2 3Å; R19-D274 IonicContact NH2-OD1 3.82Å; R19-D274 IonicContact NH2-OD2 3.14Å; R19-D274 PolarHBondContact NH2-OD2 2.65Å
20L96.3Very high86.7Confident19 Ų1953.8 Ų53.810%0.09929%0.289CS..EExtended strand (participates in β ladder)trans-105.7125.4172-179.270.8000108.9S11 K12 I36 R397 L400 A401S11-L20 PolarHBondContact N-O 2.75Å; S11-L20 WeakPolarHBondContact OG-CG 3.28Å; S11-L20 PolarHBondContact OG-O 3.2Å; K12-L20 HydrophobicContact CB-CB 4.26Å; K12-L20 HydrophobicContact CB-CD2 4.31Å; K12-L20 PolarHBondContact N-O 3.18Å; K12-L20 VanDerWaalsContact N-O 3.11Å; K12-L20 PolarHBondContact O-N 3.36Å; L20-I36 WeakPolarHBondContact CA-O 3.26Å; L20-R397 HydrophobicContact CD1-CB 3.87Å; L20-R397 HydrophobicContact CD1-CG 4.03Å; L20-L400 HydrophobicContact CB-CB 4.34Å; L20-L400 HydrophobicContact CD1-CB 4.31Å; L20-L400 HydrophobicContact CD2-CB 4.4Å; L20-A401 HydrophobicContact CD2-CB 3.87Å
21G95.4Very high86.3Confident10 Ų1057.3 Ų57.310%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-178.4-162-175.800000113.2E9 I36E9-G21 CarbonylContact O-C 3.57Å; E9-G21 WeakPolarHBondContact O-CA 3.37Å; G21-I36 VanDerWaalsContact C-CG1 3.46Å; G21-I36 PolarHBondContact N-O 2.65Å; G21-I36 VanDerWaalsContact N-O 3.08Å; G21-I36 WeakPolarHBondContact O-CG1 3.2Å; G21-I36 PolarHBondContact O-N 3.01Å
22Q95.5Very high86.2Confident51 Ų5154.7 Ų54.724%0.23828%0.281CS..EExtended strand (participates in β ladder)trans-143.9135.7-180-167.917567.800110.5E9 K24 S33 L34 D35E9-Q22 PolarHBondContact N-O 2.82Å; E9-Q22 PolarHBondContact O-N 3.35Å; Q22-K24 HydrophobicContact CG-CG 4.22Å; Q22-S33 PolarHBondContact NE2-OG 3.41Å; Q22-L34 CarbonylContact C-O 3.52Å; Q22-L34 WeakPolarHBondContact CA-O 3.49Å; Q22-D35 PolarHBondContact NE2-OD1 2.96Å
23L94.4Very high86.3Confident0 Ų054 Ų540%029%0.285CS..EExtended strand (participates in β ladder)trans-83.7120.5163.7-70.6166.4000107.9M6 K7 L8 I26 S33 L34 I36 W146 P253 L275M6-L23 HydrophobicContact CE-CD2 4.43Å; M6-L23 HydrophobicContact CG-CD2 4.02Å; M6-L23 HydrophobicContact SD-CD1 4.43Å; M6-L23 HydrophobicContact SD-CD2 3.96Å; K7-L23 WeakPolarHBondContact O-CA 3.43Å; L8-L23 HydrophobicContact CB-CD2 3.71Å; L8-L23 HydrophobicContact CD1-CD2 3.48Å; L8-L23 VanDerWaalsContact CD1-CD2 3.48Å; L8-L23 HydrophobicContact CD1-CG 3.77Å; L8-L23 HydrophobicContact CG-CD2 4.09Å; L23-I26 HydrophobicContact CB-CD1 3.59Å; L23-I26 HydrophobicContact CB-CG1 4.14Å; L23-I26 WeakPolarHBondContact O-CD1 3.23Å; L23-S33 CarbonylContact O-C 3.59Å; L23-S33 WeakPolarHBondContact O-CA 3.32Å; L23-L34 HydrophobicContact CB-CB 4.39Å; L23-L34 HydrophobicContact CD1-CD2 4.45Å; L23-L34 PolarHBondContact N-O 3.05Å; L23-L34 PolarHBondContact O-N 3.32Å; L23-I36 HydrophobicContact CD1-CG2 4.15Å; L23-I36 HydrophobicContact CG-CG2 4.31Å; L23-W146 HydrophobicContact CD1-CH2 4.23Å; L23-P253 HydrophobicContact CD1-CB 3.9Å; L23-P253 HydrophobicContact CD1-CG 4.25Å; L23-P253 HydrophobicContact CD2-CB 3.94Å; L23-P253 HydrophobicContact CD2-CG 3.87Å; L23-P253 HydrophobicContact CG-CB 4.45Å; L23-L275 HydrophobicContact CD1-CD1 3.87Å
24K92.6Very high86.6Confident69 Ų6951.1 Ų51.130%0.327%0.267SS..EExtended strand (participates in β ladder)trans-111.4166.6179.6-68.4-174.6179.9171.50111.2M6 K7 E9 Q22 I26M6-K24 WeakPolarHBondContact CA-O 3.37Å; K7-K24 PolarHBondContact N-O 3.35Å; K7-K24 PolarHBondContact O-N 2.94Å; E9-K24 IonicContact OE1-NZ 3.85Å; E9-K24 VanDerWaalsContact OE2-CE 3.24Å; E9-K24 WeakPolarHBondContact OE2-CE 3.46Å; E9-K24 IonicContact OE2-NZ 3.4Å; E9-K24 PolarHBondContact OE2-NZ 3.1Å; Q22-K24 HydrophobicContact CG-CG 4.22Å; K24-I26 PolarHBondContact O-N 3.28Å
25E88.7Confident87.4Confident73 Ų7353.5 Ų53.534%0.34128%0.279SS..EExtended strand (participates in β ladder)trans58.139.3178-63.7174.9-153.600111.7R5 K7 G30 H32R5-E25 HydrophobicContact CB-CB 4.43Å; R5-E25 VanDerWaalsContact O-CB 3.26Å; R5-E25 WeakPolarHBondContact O-CB 3.24Å; K7-E25 WeakPolarHBondContact CE-OE2 3.29Å; K7-E25 VanDerWaalsContact NZ-CD 3.29Å; K7-E25 IonicContact NZ-OE1 2.75Å; K7-E25 PolarHBondContact NZ-OE1 3.41Å; K7-E25 IonicContact NZ-OE2 3.06Å; K7-E25 PolarHBondContact NZ-OE2 3.27Å; E25-G30 WeakPolarHBondContact CA-O 3.46Å; E25-H32 PolarHBondContact N-O 3.11Å
26I88.6Confident88.5Confident1 Ų146.5 Ų46.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-84.4148.7-179.5-50.6174.3000110.6M6 L23 K24 G30 Q31 H32 L34 V97 W146M6-I26 HydrophobicContact CG-CG1 4.39Å; L23-I26 HydrophobicContact CB-CD1 3.59Å; L23-I26 HydrophobicContact CB-CG1 4.14Å; L23-I26 WeakPolarHBondContact O-CD1 3.23Å; K24-I26 PolarHBondContact O-N 3.28Å; I26-G30 CarbonylContact O-C 3.58Å; I26-G30 WeakPolarHBondContact O-CA 3.27Å; I26-Q31 PolarHBondContact O-N 3.29Å; I26-H32 HydrophobicContact CB-CB 4.15Å; I26-H32 WeakPolarHBondContact CB-O 3.19Å; I26-H32 PolarHBondContact N-O 2.76Å; I26-H32 PolarHBondContact O-N 3.42Å; I26-L34 HydrophobicContact CD1-CB 3.5Å; I26-V97 HydrophobicContact CG2-CB 4.32Å; I26-V97 HydrophobicContact CG2-CG1 3.51Å; I26-V97 HydrophobicContact CG2-CG2 3.97Å; I26-W146 HydrophobicContact CB-CZ2 4.28Å; I26-W146 HydrophobicContact CD1-CH2 4.14Å; I26-W146 HydrophobicContact CD1-CZ2 3.88Å; I26-W146 HydrophobicContact CG1-CZ2 4.04Å; I26-W146 HydrophobicContact CG2-CH2 4.17Å; I26-W146 HydrophobicContact CG2-CZ2 3.27Å
27G82.6Confident89.6Confident17 Ų1743.5 Ų43.518%0.17522%0.215CC..SBendtrans86.4166.3177.900000112M29 G30 D145G27-M29 PolarHBondContact O-N 2.77Å; G27-M29 VanDerWaalsContact O-N 3.11Å; G27-G30 PolarHBondContact O-N 2.83Å; G27-D145 VanDerWaalsContact CA-OD1 3.24Å; G27-D145 WeakPolarHBondContact CA-OD1 3.3Å
28R75.1Confident90.2Very high104 Ų10438.2 Ų38.239%0.39220%0.196SC..THydrogen-bonded Turntrans-51.2-38-179.4-76.3-177.7170.2-159.9-14.2114.1D145 E188R28-D145 PolarHBondContact N-OD1 2.88Å; R28-E188 PolarHBondContact NH2-O 3.34Å; R28-E188 VanDerWaalsContact NH2-O 3.1Å
29M75.9Confident90.4Very high135 Ų13538.4 Ų38.467%0.66520%0.197SC*.THydrogen-bonded Turntrans-89.7-9.6-179.8-61.9-59.3-70.300113.7G27 Q31G27-M29 PolarHBondContact O-N 2.77Å; G27-M29 VanDerWaalsContact O-N 3.11Å; M29-Q31 VanDerWaalsContact C-N 3.28Å; M29-Q31 HydrophobicContact CB-CG 4.01Å; M29-Q31 PolarHBondContact O-N 3.31Å
30G79.4Confident90.5Very high21 Ų2138 Ų3822%0.21620%0.196CC..SBendtrans65.526.2-178.600000114.4E25 I26 G27E25-G30 WeakPolarHBondContact CA-O 3.46Å; I26-G30 CarbonylContact O-C 3.58Å; I26-G30 WeakPolarHBondContact O-CA 3.27Å; G27-G30 PolarHBondContact O-N 2.83Å
31Q84.7Confident90.4Very high134 Ų13437.6 Ų37.663%0.62619%0.194SC*.  trans-94.4-12.7-175-70.1177-25.600113.2I26 M29I26-Q31 PolarHBondContact O-N 3.29Å; M29-Q31 VanDerWaalsContact C-N 3.28Å; M29-Q31 HydrophobicContact CB-CG 4.01Å; M29-Q31 PolarHBondContact O-N 3.31Å
32H89.4Confident90.4Very high35 Ų3537.2 Ų37.216%0.16219%0.189CC..EExtended strand (participates in β ladder)trans-101.1151.7-171.6-66.3-71.3000112E25 I26 T64 D95 V97E25-H32 PolarHBondContact N-O 3.11Å; I26-H32 HydrophobicContact CB-CB 4.15Å; I26-H32 WeakPolarHBondContact CB-O 3.19Å; I26-H32 PolarHBondContact N-O 2.76Å; I26-H32 PolarHBondContact O-N 3.42Å; H32-T64 HydrophobicContact CB-CG2 3.71Å; H32-D95 PolarHBondContact CE1-O 2.8Å; H32-D95 IonicContact CE1-OD1 3.61Å; H32-D95 IonicContact CE1-OD2 3.71Å; H32-D95 PolarHBondContact NE2-O 2.89Å; H32-D95 IonicContact NE2-OD1 2.65Å; H32-D95 PolarHBondContact NE2-OD1 2.86Å; H32-D95 IonicContact NE2-OD2 3.63Å; H32-V97 HydrophobicContact CB-CG2 3.75Å
33S92.6Very high90.4Very high49 Ų4934.8 Ų34.834%0.34318%0.178SC..EExtended strand (participates in β ladder)trans-132.6146.917361.30000111.2Q22 L23 T64Q22-S33 PolarHBondContact NE2-OG 3.41Å; L23-S33 CarbonylContact O-C 3.59Å; L23-S33 WeakPolarHBondContact O-CA 3.32Å; S33-T64 PolarHBondContact O-OG1 3.23Å
34L94Very high90.1Very high10 Ų1037.6 Ų37.65%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-130122.9178.3-18066.1000109.9Q22 L23 I26 L40 V65 W146 L275Q22-L34 CarbonylContact C-O 3.52Å; Q22-L34 WeakPolarHBondContact CA-O 3.49Å; L23-L34 HydrophobicContact CB-CB 4.39Å; L23-L34 HydrophobicContact CD1-CD2 4.45Å; L23-L34 PolarHBondContact N-O 3.05Å; L23-L34 PolarHBondContact O-N 3.32Å; I26-L34 HydrophobicContact CD1-CB 3.5Å; L34-L40 HydrophobicContact CD2-CD2 4.33Å; L34-V65 HydrophobicContact CD2-CB 4.41Å; L34-V65 HydrophobicContact CD2-CG2 3.83Å; L34-W146 HydrophobicContact CD2-CH2 4.08Å; L34-W146 HydrophobicContact CD2-CZ3 4.46Å; L34-L275 HydrophobicContact CD2-CD1 4.31Å; L34-L275 HydrophobicContact CD2-CD2 3.48Å; L34-L275 VanDerWaalsContact CD2-CD2 3.48Å; L34-L275 HydrophobicContact CG-CD2 4.24Å
35D95.6Very high89.9Confident63 Ų6337.7 Ų37.734%0.33719%0.194SC..EExtended strand (participates in β ladder)trans-74.2143.9176.8-57.4-30.1000111.4Q22 R397Q22-D35 PolarHBondContact NE2-OD1 2.96Å; D35-R397 VanDerWaalsContact CB-CD 3.5Å; D35-R397 VanDerWaalsContact CB-NE 3.33Å; D35-R397 IonicContact OD2-CZ 2.84Å; D35-R397 IonicContact OD2-NE 3.74Å; D35-R397 IonicContact OD2-NH2 3.48Å
36I95.8Very high89.9Confident0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-121.4141.1175.161.4154000111.5L8 L10 R19 L20 G21 L23 D274 L275L8-I36 HydrophobicContact CD1-CD1 3.48Å; L8-I36 VanDerWaalsContact CD1-CD1 3.48Å; L8-I36 HydrophobicContact CD1-CG1 4.13Å; L8-I36 HydrophobicContact CD2-CD1 4.42Å; L10-I36 HydrophobicContact CD2-CD1 3.87Å; R19-I36 HydrophobicContact CB-CD1 4.37Å; L20-I36 WeakPolarHBondContact CA-O 3.26Å; G21-I36 VanDerWaalsContact C-CG1 3.46Å; G21-I36 PolarHBondContact N-O 2.65Å; G21-I36 VanDerWaalsContact N-O 3.08Å; G21-I36 WeakPolarHBondContact O-CG1 3.2Å; G21-I36 PolarHBondContact O-N 3.01Å; L23-I36 HydrophobicContact CD1-CG2 4.15Å; L23-I36 HydrophobicContact CG-CG2 4.31Å; I36-D274 HydrophobicContact CB-CB 4.16Å; I36-D274 HydrophobicContact CD1-CB 4.03Å; I36-D274 WeakPolarHBondContact CD1-OD1 3.47Å; I36-D274 HydrophobicContact CG2-CB 4.05Å; I36-L275 HydrophobicContact CG2-CD2 3.83Å; I36-L275 HydrophobicContact CG2-CG 4.35Å
37P96.3Very high90.1Very high0 Ų037.3 Ų37.30%020%0.197CC..SBendcis-68.8145.1-3.829.9-37.7000113.1R19 V269 D274 V396 R397 L400R19-P37 WeakPolarHBondContact O-CD 3.17Å; P37-V269 HydrophobicContact CB-CG1 4.32Å; P37-V269 HydrophobicContact CB-CG2 3.78Å; P37-V269 HydrophobicContact CG-CG1 3.98Å; P37-V269 HydrophobicContact CG-CG2 4.15Å; P37-D274 CarbonylContact C-O 3.58Å; P37-D274 WeakPolarHBondContact CA-O 3.33Å; P37-V396 HydrophobicContact CG-CG1 3.62Å; P37-R397 HydrophobicContact CG-CG 4.31Å; P37-R397 WeakPolarHBondContact O-CD 3.48Å; P37-R397 WeakPolarHBondContact O-CG 3.3Å; P37-R397 PolarHBondContact O-NH1 3.32Å; P37-L400 VanDerWaalsContact CD-CD1 3.46Å; P37-L400 HydrophobicContact CG-CD1 3.63Å
38G95.5Very high90.6Very high2 Ų236.5 Ų36.52%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-150.6171.3-175.100000112.7D274 L275 F276G38-D274 PolarHBondContact N-O 3.01Å; G38-L275 CarbonylContact O-C 3.5Å; G38-L275 WeakPolarHBondContact O-CA 3.25Å; G38-F276 PolarHBondContact O-N 3.05Å
39C95.2Very high91.5Very high5 Ų532.2 Ų32.23%0.03418%0.175CC..EExtended strand (participates in β ladder)trans-123.8153.8172.962.20000111.4P63 F276 Y389 H390 F393C39-P63 VanDerWaalsContact O-CB 3.26Å; C39-P63 WeakPolarHBondContact O-CB 3.42Å; C39-P63 WeakPolarHBondContact O-CG 3.47Å; C39-F276 CarbonylContact C-O 3.59Å; C39-F276 WeakPolarHBondContact CA-O 3.42Å; C39-F276 HydrophobicContact CB-CB 4.25Å; C39-Y389 HydrophobicContact CB-CE1 4.32Å; C39-H390 PolarHBondContact SG-CE1 2.8Å; C39-H390 PolarHBondContact SG-ND1 2.95Å; C39-F393 HydrophobicContact CB-CD2 3.94Å; C39-F393 HydrophobicContact CB-CE1 4.23Å; C39-F393 HydrophobicContact CB-CE2 3.56Å; C39-F393 HydrophobicContact CB-CG 4.42Å; C39-F393 HydrophobicContact CB-CZ 3.71Å; C39-F393 VanDerWaalsContact SG-CD2 3.51Å
40L96.2Very high92.4Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-83.2151.5173.6-49.7-170.8000110.5L34 Y42 V65 Q67 Y99 W146 L255 F276 G278L34-L40 HydrophobicContact CD2-CD2 4.33Å; L40-Y42 PolarHBondContact O-N 3.39Å; L40-V65 WeakPolarHBondContact CA-O 3.05Å; L40-V65 HydrophobicContact CD2-CB 3.85Å; L40-V65 HydrophobicContact CD2-CG1 3.88Å; L40-Q67 HydrophobicContact CB-CB 4.2Å; L40-Q67 HydrophobicContact CD1-CB 4.32Å; L40-Y99 HydrophobicContact CD1-CD1 3.29Å; L40-Y99 HydrophobicContact CD1-CE1 3.89Å; L40-Y99 HydrophobicContact CD1-CG 3.75Å; L40-W146 HydrophobicContact CD2-CZ3 4.39Å; L40-L255 HydrophobicContact CD1-CD1 3.56Å; L40-L255 HydrophobicContact CG-CD1 4.21Å; L40-F276 PolarHBondContact N-O 2.93Å; L40-G278 VanDerWaalsContact O-CA 3.3Å; L40-G278 WeakPolarHBondContact O-CA 3.42Å; L40-G278 PolarHBondContact O-N 2.81Å
41L95.1Very high93.2Very high10 Ų1029.2 Ų29.25%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-76.1117.3173.9-176.864.2000109.8V48 L56 P63 V65 Q67 T386L41-V48 HydrophobicContact CD1-CG2 3.71Å; L41-V48 HydrophobicContact CD2-CG2 3.63Å; L41-V48 HydrophobicContact CG-CG2 3.66Å; L41-L56 HydrophobicContact CD2-CD2 4.08Å; L41-P63 HydrophobicContact CB-CB 4.07Å; L41-P63 HydrophobicContact CB-CG 4.04Å; L41-V65 PolarHBondContact N-O 2.94Å; L41-Q67 PolarHBondContact O-N 2.88Å; L41-T386 HydrophobicContact CD1-CG2 4.33Å
42Y95.8Very high93.5Very high3 Ų326.6 Ų26.61%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-76.5132.9-178.6173.6-95.9000112.2L40 H44 P49 D104 A106 G278 F279 F282L40-Y42 PolarHBondContact O-N 3.39Å; Y42-H44 AromaticContact CE1-CD2 3.78Å; Y42-H44 AromaticContact CE1-NE2 3.62Å; Y42-H44 AromaticContact CZ-CD2 3.62Å; Y42-H44 AromaticContact CZ-NE2 3.57Å; Y42-H44 PolarHBondContact OH-CD2 3.32Å; Y42-H44 PolarHBondContact OH-NE2 3.13Å; Y42-P49 HydrophobicContact CD1-CG 4.24Å; Y42-P49 HydrophobicContact CE1-CG 3.95Å; Y42-D104 WeakPolarHBondContact CE2-OD1 3.46Å; Y42-D104 PolarHBondContact OH-OD1 3.41Å; Y42-D104 VanDerWaalsContact OH-OD1 3.08Å; Y42-D104 PolarHBondContact OH-OD2 3.3Å; Y42-A106 HydrophobicContact CE2-CB 4.15Å; Y42-A106 VanDerWaalsContact OH-CB 3.28Å; Y42-A106 WeakPolarHBondContact OH-CB 3.48Å; Y42-G278 VanDerWaalsContact CB-C 3.45Å; Y42-G278 VanDerWaalsContact CB-O 3.22Å; Y42-G278 WeakPolarHBondContact CB-O 3.31Å; Y42-F279 HydrophobicContact CD2-CB 3.56Å; Y42-F279 HydrophobicContact CE2-CB 3.74Å; Y42-F279 HydrophobicContact CG-CB 4.04Å; Y42-F282 HydrophobicContact CD1-CB 3.8Å; Y42-F282 HydrophobicContact CD1-CD1 4.34Å; Y42-F282 HydrophobicContact CD1-CG 4.1Å; Y42-F282 HydrophobicContact CE1-CB 3.77Å; Y42-F282 AromaticContact CE1-CD1 3.45Å; Y42-F282 HydrophobicContact CE1-CD1 3.45Å; Y42-F282 VanDerWaalsContact CE1-CD1 3.45Å; Y42-F282 HydrophobicContact CE1-CD2 4.24Å; Y42-F282 HydrophobicContact CE1-CE1 4.08Å; Y42-F282 AromaticContact CE1-CG 3.54Å; Y42-F282 HydrophobicContact CE1-CG 3.54Å; Y42-F282 AromaticContact CZ-CD1 3.82Å
43T95.1Very high93.4Very high0 Ų027.4 Ų27.40%015%0.15CC..  trans-144.7160.6176.879.60000111.2G46 T47 V48 T66 Q67T43-G46 WeakPolarHBondContact OG1-CA 3.12Å; T43-G46 PolarHBondContact OG1-N 3.13Å; T43-T47 VanDerWaalsContact CB-O 3.31Å; T43-T47 WeakPolarHBondContact CB-O 3.43Å; T43-V48 HydrophobicContact CG2-CG2 4.1Å; T43-T66 HydrophobicContact CG2-CG2 3.34Å; T43-Q67 WeakPolarHBondContact CB-O 3.42Å; T43-Q67 PolarHBondContact N-O 3.03Å; T43-Q67 PolarHBondContact OG1-O 3.42Å
44H87.8Confident93.3Very high58 Ų5831.3 Ų31.327%0.26917%0.168SC..SBendtrans-89.5-64.1167.9-65.6168.1000111Y42 N72 F282Y42-H44 AromaticContact CE1-CD2 3.78Å; Y42-H44 AromaticContact CE1-NE2 3.62Å; Y42-H44 AromaticContact CZ-CD2 3.62Å; Y42-H44 AromaticContact CZ-NE2 3.57Å; Y42-H44 PolarHBondContact OH-CD2 3.32Å; Y42-H44 PolarHBondContact OH-NE2 3.13Å; H44-N72 WeakPolarHBondContact O-CB 3.36Å; H44-F282 AromaticContact CE1-CZ 3.65Å; H44-F282 AromaticContact NE2-CE1 3.79Å; H44-F282 AromaticContact NE2-CZ 3.65Å
45L88.1Confident93.2Very high71 Ų7132.8 Ų32.837%0.37218%0.177SC..SBendtrans-117.742.4-177.4-72.3170.9000111.5T47 N72 I73L45-T47 PolarHBondContact O-N 3.45Å; L45-N72 HydrophobicContact CD2-CB 3.7Å; L45-N72 HydrophobicContact CG-CB 4.07Å; L45-I73 HydrophobicContact CD2-CG1 4Å
46G89.1Confident92.9Very high2 Ų230.2 Ų30.22%0.02116%0.163CC..SBendtrans84.8-12.8-175.200000114.1T43 L93T43-G46 WeakPolarHBondContact OG1-CA 3.12Å; T43-G46 PolarHBondContact OG1-N 3.13Å; G46-L93 WeakPolarHBondContact O-CD2 3.4Å
47T92.4Very high92.5Very high64 Ų6437 Ų3739%0.39320%0.195SC..SBendtrans-102.2131.9176.5-50.50000110.7T43 L45 L51T43-T47 VanDerWaalsContact CB-O 3.31Å; T43-T47 WeakPolarHBondContact CB-O 3.43Å; L45-T47 PolarHBondContact O-N 3.45Å; T47-L51 VanDerWaalsContact CG2-O 3.28Å; T47-L51 WeakPolarHBondContact CG2-O 3.49Å
48V93.5Very high92.2Very high1 Ų141.4 Ų41.41%0.00622%0.222CC..PPolyproline II helixtrans-63.1127.7171-178.80000108L41 T43 H50 L51 L56 M382L41-V48 HydrophobicContact CD1-CG2 3.71Å; L41-V48 HydrophobicContact CD2-CG2 3.63Å; L41-V48 HydrophobicContact CG-CG2 3.66Å; T43-V48 HydrophobicContact CG2-CG2 4.1Å; V48-H50 PolarHBondContact O-N 2.88Å; V48-L51 HydrophobicContact CB-CB 4.28Å; V48-L51 HydrophobicContact CB-CD1 4.47Å; V48-L51 HydrophobicContact CG1-CB 4.42Å; V48-L51 HydrophobicContact CG1-CD1 3.89Å; V48-L51 HydrophobicContact CG1-CG 4.2Å; V48-L51 PolarHBondContact O-N 2.74Å; V48-L51 VanDerWaalsContact O-N 3.11Å; V48-L56 HydrophobicContact CB-CD1 4.49Å; V48-L56 HydrophobicContact CG2-CD1 3.93Å; V48-L56 HydrophobicContact CG2-CD2 3.82Å; V48-M382 HydrophobicContact CG1-CE 3.58Å; V48-M382 HydrophobicContact CG1-CG 4.29Å
49P94.5Very high91.7Very high14 Ų1441.9 Ų41.99%0.09122%0.224CC..THydrogen-bonded Turntrans-48.7138.6-179.5-29.135.5000111.9Y42 L51 F282 M382Y42-P49 HydrophobicContact CD1-CG 4.24Å; Y42-P49 HydrophobicContact CE1-CG 3.95Å; P49-L51 PolarHBondContact O-N 3.41Å; P49-F282 HydrophobicContact CB-CD2 3.64Å; P49-F282 HydrophobicContact CB-CE2 3.75Å; P49-F282 HydrophobicContact CG-CD2 3.6Å; P49-F282 HydrophobicContact CG-CE2 3.84Å; P49-F282 HydrophobicContact CG-CG 4.28Å; P49-M382 WeakPolarHBondContact O-CG 3.49Å
50H95.4Very high91Very high86 Ų8645.6 Ų45.640%0.39825%0.25SC..THydrogen-bonded Turntrans66.4-11.4-179.4-47.5-54.9000117.3V48 E286 V379 M382V48-H50 PolarHBondContact O-N 2.88Å; H50-E286 IonicContact CD2-OE1 3.71Å; H50-E286 IonicContact CE1-OE1 3.47Å; H50-E286 IonicContact NE2-OE1 3.36Å; H50-E286 PolarHBondContact NE2-OE1 3.47Å; H50-V379 HydrophobicContact CB-CG2 4.23Å; H50-M382 HydrophobicContact CB-CB 4.27Å
51L94.1Very high90Very high6 Ų649.9 Ų49.93%0.03128%0.28CS..  trans-110.2130.2-173.8-54-174.1000112T47 V48 P49 T55 L56 L59 V379 M382 M383T47-L51 VanDerWaalsContact CG2-O 3.28Å; T47-L51 WeakPolarHBondContact CG2-O 3.49Å; V48-L51 HydrophobicContact CB-CB 4.28Å; V48-L51 HydrophobicContact CB-CD1 4.47Å; V48-L51 HydrophobicContact CG1-CB 4.42Å; V48-L51 HydrophobicContact CG1-CD1 3.89Å; V48-L51 HydrophobicContact CG1-CG 4.2Å; V48-L51 PolarHBondContact O-N 2.74Å; V48-L51 VanDerWaalsContact O-N 3.11Å; P49-L51 PolarHBondContact O-N 3.41Å; L51-T55 HydrophobicContact CD2-CG2 4.05Å; L51-L56 HydrophobicContact CD1-CD1 4.17Å; L51-L59 HydrophobicContact CD1-CD1 4.05Å; L51-V379 HydrophobicContact CD2-CG1 4.08Å; L51-M382 HydrophobicContact CD1-CG 4.12Å; L51-M382 HydrophobicContact CD2-CB 4.23Å; L51-M382 HydrophobicContact CG-CB 4.34Å; L51-M382 HydrophobicContact CG-CG 4.08Å; L51-M383 HydrophobicContact CD2-CG 3.57Å
52T92.3Very high89.5Confident80 Ų8051.5 Ų51.549%0.49129%0.288SS..  trans-72.6161.916465.40000110D54 T55 L56T52-D54 VanDerWaalsContact C-N 3.28Å; T52-D54 PolarHBondContact O-N 3.16Å; T52-T55 PolarHBondContact O-N 3.41Å; T52-T55 WeakPolarHBondContact OG1-CB 3.1Å; T52-T55 PolarHBondContact OG1-N 3.26Å; T52-T55 VanDerWaalsContact OG1-N 3.17Å; T52-T55 PolarHBondContact OG1-OG1 3.46Å; T52-L56 VanDerWaalsContact O-CB 3.29Å; T52-L56 WeakPolarHBondContact O-CB 3.17Å; T52-L56 PolarHBondContact O-N 3.49Å
53Q88Confident89.1Confident51 Ų5152.2 Ų52.224%0.23829%0.293CS..Hα-helixtrans-58.9-41.4174.8-65.5-61.5-23.100111.5T55 L56 H57Q53-T55 PolarHBondContact O-N 3.02Å; Q53-L56 WeakPolarHBondContact O-CB 3.33Å; Q53-L56 PolarHBondContact O-N 2.76Å; Q53-H57 PolarHBondContact O-CD2 2.83Å; Q53-H57 PolarHBondContact O-N 3.29Å
54D89.8Confident88.8Confident132 Ų13254.5 Ų54.571%0.70631%0.307SS*.Hα-helixtrans-60.5-46.7177.4-63.8-19.3000112T52 L56 H57 T58T52-D54 VanDerWaalsContact C-N 3.28Å; T52-D54 PolarHBondContact O-N 3.16Å; D54-L56 VanDerWaalsContact C-N 3.35Å; D54-H57 PolarHBondContact O-N 3.04Å; D54-T58 WeakPolarHBondContact O-CG2 3.36Å; D54-T58 PolarHBondContact O-N 3.49Å
55T92Very high89.1Confident40 Ų4051.7 Ų51.725%0.24529%0.294CS..Hα-helixtrans-65.5-41177.6-60.80000111L51 T52 Q53 H57 T58 M383L51-T55 HydrophobicContact CD2-CG2 4.05Å; T52-T55 PolarHBondContact O-N 3.41Å; T52-T55 WeakPolarHBondContact OG1-CB 3.1Å; T52-T55 PolarHBondContact OG1-N 3.26Å; T52-T55 VanDerWaalsContact OG1-N 3.17Å; T52-T55 PolarHBondContact OG1-OG1 3.46Å; Q53-T55 PolarHBondContact O-N 3.02Å; T55-H57 VanDerWaalsContact C-N 3.33Å; T55-H57 PolarHBondContact O-N 2.87Å; T55-T58 WeakPolarHBondContact O-CB 3.4Å; T55-T58 PolarHBondContact O-N 2.8Å; T55-T58 VanDerWaalsContact O-N 3.1Å; T55-T58 PolarHBondContact O-OG1 3.29Å; T55-M383 HydrophobicContact CG2-CE 3.62Å; T55-M383 HydrophobicContact CG2-CG 4.06Å; T55-M383 HydrophobicContact CG2-SD 3.66Å
56L89.4Confident89.5Confident10 Ų1048.7 Ų48.75%0.05228%0.279CS..Hα-helixtrans-58.6-45.4176.5-178.363.5000110.6L41 V48 L51 T52 Q53 D54 T58 L59 L62L41-L56 HydrophobicContact CD2-CD2 4.08Å; V48-L56 HydrophobicContact CB-CD1 4.49Å; V48-L56 HydrophobicContact CG2-CD1 3.93Å; V48-L56 HydrophobicContact CG2-CD2 3.82Å; L51-L56 HydrophobicContact CD1-CD1 4.17Å; T52-L56 VanDerWaalsContact O-CB 3.29Å; T52-L56 WeakPolarHBondContact O-CB 3.17Å; T52-L56 PolarHBondContact O-N 3.49Å; Q53-L56 WeakPolarHBondContact O-CB 3.33Å; Q53-L56 PolarHBondContact O-N 2.76Å; D54-L56 VanDerWaalsContact C-N 3.35Å; L56-T58 PolarHBondContact O-N 2.91Å; L56-T58 VanDerWaalsContact O-N 3.13Å; L56-L59 HydrophobicContact CD1-CD1 4.25Å; L56-L59 VanDerWaalsContact O-CB 3.29Å; L56-L59 WeakPolarHBondContact O-CB 3.49Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-L62 HydrophobicContact CD1-CD1 3.53Å; L56-L62 HydrophobicContact CD1-CD2 3.71Å; L56-L62 HydrophobicContact CD1-CG 4.28Å; L56-L62 HydrophobicContact CD2-CD1 4.37Å; L56-L62 HydrophobicContact CG-CD1 3.52Å; L56-L62 WeakPolarHBondContact O-CD1 3.27Å
57H87.4Confident89.8Confident142 Ų14248.7 Ų48.766%0.65728%0.278SS*.Hα-helixtrans-64.9-14.1177.4-73-56.6000114.8Q53 D54 T55 L59Q53-H57 PolarHBondContact O-CD2 2.83Å; Q53-H57 PolarHBondContact O-N 3.29Å; D54-H57 PolarHBondContact O-N 3.04Å; T55-H57 VanDerWaalsContact C-N 3.33Å; T55-H57 PolarHBondContact O-N 2.87Å; H57-L59 VanDerWaalsContact C-N 3.26Å
58T88.5Confident90Very high92 Ų9245.6 Ų45.656%0.56426%0.259SS*.THydrogen-bonded Turntrans-74.5-18.4169.973.90000113D54 T55 L56D54-T58 WeakPolarHBondContact O-CG2 3.36Å; D54-T58 PolarHBondContact O-N 3.49Å; T55-T58 WeakPolarHBondContact O-CB 3.4Å; T55-T58 PolarHBondContact O-N 2.8Å; T55-T58 VanDerWaalsContact O-N 3.1Å; T55-T58 PolarHBondContact O-OG1 3.29Å; L56-T58 PolarHBondContact O-N 2.91Å; L56-T58 VanDerWaalsContact O-N 3.13Å
59L86.6Confident90.1Very high13 Ų1345.6 Ų45.67%0.06826%0.259CS..SBendtrans-79.8130.2178-55.8-177.7000109.9L51 L56 H57 L62 M383 T386L51-L59 HydrophobicContact CD1-CD1 4.05Å; L56-L59 HydrophobicContact CD1-CD1 4.25Å; L56-L59 VanDerWaalsContact O-CB 3.29Å; L56-L59 WeakPolarHBondContact O-CB 3.49Å; L56-L59 PolarHBondContact O-N 3.47Å; H57-L59 VanDerWaalsContact C-N 3.26Å; L59-L62 HydrophobicContact CB-CD1 4.49Å; L59-L62 HydrophobicContact CB-CD2 3.98Å; L59-L62 HydrophobicContact CB-CG 4.2Å; L59-L62 HydrophobicContact CD1-CD2 4.17Å; L59-M383 HydrophobicContact CD2-CB 4.18Å; L59-M383 HydrophobicContact CD2-CE 3.98Å; L59-M383 HydrophobicContact CD2-CG 4.46Å; L59-T386 HydrophobicContact CD1-CG2 4.25Å
60S79.3Confident90.1Very high83 Ų8344.9 Ų44.958%0.5826%0.255SS*.SBendtrans-77145.1174.255.80000111.2L62S60-L62 PolarHBondContact O-N 3.42Å
61S76.1Confident89.9Confident89 Ų8941 Ų4162%0.62224%0.237SC*.SBendtrans62.242.9167.1-530000114.8
62L84.8Confident89.8Confident44 Ų4442.1 Ų42.123%0.2324%0.243CC..  trans-65.5152.2170.5-67.8172.5000112L56 L59 S60 T386L56-L62 HydrophobicContact CD1-CD1 3.53Å; L56-L62 HydrophobicContact CD1-CD2 3.71Å; L56-L62 HydrophobicContact CD1-CG 4.28Å; L56-L62 HydrophobicContact CD2-CD1 4.37Å; L56-L62 HydrophobicContact CG-CD1 3.52Å; L56-L62 WeakPolarHBondContact O-CD1 3.27Å; L59-L62 HydrophobicContact CB-CD1 4.49Å; L59-L62 HydrophobicContact CB-CD2 3.98Å; L59-L62 HydrophobicContact CB-CG 4.2Å; L59-L62 HydrophobicContact CD1-CD2 4.17Å; S60-L62 PolarHBondContact O-N 3.42Å; L62-T386 HydrophobicContact CD2-CG2 4.17Å
63P86.4Confident89.9Confident19 Ų1938.3 Ų38.312%0.12322%0.22CC..  trans-59140.4170.4-23.233.4000111.9C39 L41 V65 H390C39-P63 VanDerWaalsContact O-CB 3.26Å; C39-P63 WeakPolarHBondContact O-CB 3.42Å; C39-P63 WeakPolarHBondContact O-CG 3.47Å; L41-P63 HydrophobicContact CB-CB 4.07Å; L41-P63 HydrophobicContact CB-CG 4.04Å; P63-V65 VanDerWaalsContact C-N 3.26Å; P63-V65 PolarHBondContact O-N 2.74Å; P63-H390 WeakPolarHBondContact CD-CE1 3.5Å; P63-H390 WeakPolarHBondContact CD-NE2 3.23Å; P63-H390 WeakPolarHBondContact CG-CE1 3.5Å; P63-H390 WeakPolarHBondContact CG-ND1 3.37Å
64T89.9Confident90.2Very high47 Ų4736.2 Ų36.229%0.28821%0.211SC..SBendtrans-70.7-24.6176.7-46.70000112.6H32 S33H32-T64 HydrophobicContact CB-CG2 3.71Å; S33-T64 PolarHBondContact O-OG1 3.23Å
65V94.4Very high90.3Very high0 Ų032.7 Ų32.70%019%0.19CC..EExtended strand (participates in β ladder)trans-112.5125.3-175.2-1770000110.3L34 L40 L41 P63 V97 W146L34-V65 HydrophobicContact CD2-CB 4.41Å; L34-V65 HydrophobicContact CD2-CG2 3.83Å; L40-V65 WeakPolarHBondContact CA-O 3.05Å; L40-V65 HydrophobicContact CD2-CB 3.85Å; L40-V65 HydrophobicContact CD2-CG1 3.88Å; L41-V65 PolarHBondContact N-O 2.94Å; P63-V65 VanDerWaalsContact C-N 3.26Å; P63-V65 PolarHBondContact O-N 2.74Å; V65-V97 HydrophobicContact CB-CG1 4.46Å; V65-V97 HydrophobicContact CG1-CG1 4.15Å; V65-V97 HydrophobicContact CG2-CB 4.04Å; V65-V97 HydrophobicContact CG2-CG1 3.87Å; V65-W146 HydrophobicContact CB-CZ3 4.22Å; V65-W146 HydrophobicContact CG1-CE3 3.86Å; V65-W146 HydrophobicContact CG1-CH2 4.39Å; V65-W146 HydrophobicContact CG1-CZ3 3.71Å; V65-W146 HydrophobicContact CG2-CH2 3.69Å; V65-W146 HydrophobicContact CG2-CZ2 4.33Å; V65-W146 HydrophobicContact CG2-CZ3 3.84Å
66T95.1Very high90.2Very high8 Ų833.9 Ų33.95%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-101.2124.8-179.6-60.10000110.2T43 T96 V97 L98 Y99T43-T66 HydrophobicContact CG2-CG2 3.34Å; T66-T96 WeakPolarHBondContact OG1-CG2 3.42Å; T66-V97 PolarHBondContact N-O 3.47Å; T66-L98 HydrophobicContact CG2-CD2 4.32Å; T66-L98 WeakPolarHBondContact O-CA 3.38Å; T66-Y99 PolarHBondContact O-N 3.37Å
67Q96.3Very high90.3Very high1 Ų135.6 Ų35.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-81.6130.1173.6175.7173.916.200110.1L40 L41 T43 Y99 S101 E277L40-Q67 HydrophobicContact CB-CB 4.2Å; L40-Q67 HydrophobicContact CD1-CB 4.32Å; L41-Q67 PolarHBondContact O-N 2.88Å; T43-Q67 WeakPolarHBondContact CB-O 3.42Å; T43-Q67 PolarHBondContact N-O 3.03Å; T43-Q67 PolarHBondContact OG1-O 3.42Å; Q67-Y99 CarbonylContact C-O 3.59Å; Q67-Y99 WeakPolarHBondContact CA-O 3.44Å; Q67-Y99 HydrophobicContact CB-CD1 4.25Å; Q67-Y99 HydrophobicContact CG-CD1 4.04Å; Q67-Y99 HydrophobicContact CG-CE1 4.45Å; Q67-S101 PolarHBondContact NE2-OG 3.46Å; Q67-E277 PolarHBondContact NE2-OE1 3.17Å
68V95.9Very high90.4Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-124.2155.1166.2-620000109I73 F87 L98 Y99 C100 S101V68-I73 HydrophobicContact CB-CD1 3.96Å; V68-I73 HydrophobicContact CG2-CD1 3.98Å; V68-F87 HydrophobicContact CB-CE1 4.47Å; V68-F87 HydrophobicContact CG1-CE1 3.91Å; V68-F87 HydrophobicContact CG1-CZ 4.14Å; V68-F87 HydrophobicContact CG2-CE1 4.48Å; V68-L98 HydrophobicContact CG1-CD2 4.11Å; V68-Y99 PolarHBondContact N-O 3.45Å; V68-C100 HydrophobicContact CG2-CB 4.15Å; V68-C100 CarbonylContact O-C 3.45Å; V68-C100 WeakPolarHBondContact O-CA 3.47Å; V68-S101 PolarHBondContact O-N 3Å; V68-S101 PolarHBondContact O-OG 3.23Å
69T95.4Very high90.6Very high0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-121.2142.7-173.887.40000111.2S71 N72 I73 S101 D104T69-S71 PolarHBondContact O-N 2.63Å; T69-S71 PolarHBondContact OG1-N 2.98Å; T69-N72 PolarHBondContact O-N 2.98Å; T69-N72 PolarHBondContact OG1-N 3.37Å; T69-N72 PolarHBondContact OG1-OD1 2.85Å; T69-I73 WeakPolarHBondContact O-CG1 3.27Å; T69-I73 PolarHBondContact O-N 3.37Å; T69-S101 WeakPolarHBondContact CA-O 3.38Å; T69-S101 WeakPolarHBondContact CG2-OG 3.47Å; T69-D104 HydrophobicContact CG2-CB 4.01Å
70L94.9Very high90.8Very high0 Ų036.3 Ų36.30%020%0.204CC..Hα-helixtrans-67.5-24.6170.7-70.1-173.2000112.4N72 I73 A74 C100 S101 L102 L130 F135 L138L70-N72 VanDerWaalsContact C-N 3.25Å; L70-N72 PolarHBondContact O-N 3.16Å; L70-I73 PolarHBondContact O-N 3.07Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 2.75Å; L70-C100 VanDerWaalsContact CD2-SG 3.59Å; L70-S101 PolarHBondContact N-O 3.47Å; L70-L102 HydrophobicContact CD1-CD1 4.11Å; L70-L130 HydrophobicContact CD1-CD1 4.33Å; L70-F135 HydrophobicContact CD1-CD2 3.45Å; L70-F135 VanDerWaalsContact CD1-CD2 3.45Å; L70-F135 HydrophobicContact CD1-CE2 3.42Å; L70-F135 VanDerWaalsContact CD1-CE2 3.42Å; L70-L138 HydrophobicContact CD2-CB 4.02Å; L70-L138 HydrophobicContact CD2-CD1 4.37Å
71S92.3Very high91.2Very high4 Ų436.3 Ų36.33%0.02820%0.197CC..Hα-helixtrans-52.5-44.6172.3-76.60000112.1T69 W122 G123T69-S71 PolarHBondContact O-N 2.63Å; T69-S71 PolarHBondContact OG1-N 2.98Å; S71-W122 WeakPolarHBondContact CB-O 3.41Å; S71-G123 WeakPolarHBondContact O-CA 3.36Å
72N91.7Very high91.9Very high30 Ų3038.6 Ų38.616%0.1620%0.198CC..Hα-helixtrans-83.9-35.8178.9-61.298.1000112.5H44 L45 T69 L70 H76H44-N72 WeakPolarHBondContact O-CB 3.36Å; L45-N72 HydrophobicContact CD2-CB 3.7Å; L45-N72 HydrophobicContact CG-CB 4.07Å; T69-N72 PolarHBondContact O-N 2.98Å; T69-N72 PolarHBondContact OG1-N 3.37Å; T69-N72 PolarHBondContact OG1-OD1 2.85Å; L70-N72 VanDerWaalsContact C-N 3.25Å; L70-N72 PolarHBondContact O-N 3.16Å; N72-H76 PolarHBondContact O-CD2 2.9Å; N72-H76 VanDerWaalsContact O-CD2 3.3Å
73I93.8Very high92.2Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-81.5-33.4-171.4-65.6171000112.9L45 V68 T69 L70 E75 H76 L80 F87 M141 V142L45-I73 HydrophobicContact CD2-CG1 4Å; V68-I73 HydrophobicContact CB-CD1 3.96Å; V68-I73 HydrophobicContact CG2-CD1 3.98Å; T69-I73 WeakPolarHBondContact O-CG1 3.27Å; T69-I73 PolarHBondContact O-N 3.37Å; L70-I73 PolarHBondContact O-N 3.07Å; I73-E75 PolarHBondContact O-N 3.03Å; I73-E75 VanDerWaalsContact O-N 3.15Å; I73-H76 PolarHBondContact O-N 2.8Å; I73-L80 HydrophobicContact CG2-CD1 3.84Å; I73-F87 HydrophobicContact CD1-CD2 4.13Å; I73-F87 HydrophobicContact CD1-CE1 4.21Å; I73-F87 HydrophobicContact CD1-CE2 3.59Å; I73-F87 HydrophobicContact CD1-CZ 3.64Å; I73-F87 HydrophobicContact CG1-CD2 4.43Å; I73-F87 HydrophobicContact CG1-CE2 3.76Å; I73-F87 HydrophobicContact CG1-CZ 4.17Å; I73-M141 HydrophobicContact CG2-CE 3.67Å; I73-V142 HydrophobicContact CD1-CG2 4.15Å; I73-V142 HydrophobicContact CG2-CG2 3.77Å
74A93.2Very high92Very high6 Ų648 Ų485%0.0524%0.235CC..G310 helixtrans-62.7-27-168.600000114L70 H76 V121 I128 L138L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 2.75Å; A74-H76 VanDerWaalsContact C-N 3.27Å; A74-H76 PolarHBondContact O-N 2.87Å; A74-V121 HydrophobicContact CB-CG2 4.02Å; A74-I128 HydrophobicContact CB-CD1 3.85Å; A74-I128 HydrophobicContact CB-CG2 4.39Å; A74-L138 HydrophobicContact CB-CD1 3.81Å; A74-L138 HydrophobicContact CB-CD2 4.49Å
75E92.1Very high91.5Very high59 Ų5947.5 Ų47.528%0.27624%0.239SC..G310 helixtrans-73.1-18.8176.259.8-174.1-155.300113.4I73 G123 S124 G125 I128I73-E75 PolarHBondContact O-N 3.03Å; I73-E75 VanDerWaalsContact O-N 3.15Å; E75-G123 WeakPolarHBondContact OE2-CA 3.43Å; E75-S124 PolarHBondContact OE1-OG 2.68Å; E75-S124 PolarHBondContact OE2-N 3.37Å; E75-S124 PolarHBondContact OE2-OG 3.47Å; E75-G125 PolarHBondContact OE2-N 3.11Å; E75-I128 HydrophobicContact CB-CD1 3.87Å
76H91.7Very high91Very high65 Ų6548.7 Ų48.730%0.30125%0.251SS..G310 helixtrans-10415.5-176.1-54.7-54.8000113.4N72 I73 A74 E78 V79 L80N72-H76 PolarHBondContact O-CD2 2.9Å; N72-H76 VanDerWaalsContact O-CD2 3.3Å; I73-H76 PolarHBondContact O-N 2.8Å; A74-H76 VanDerWaalsContact C-N 3.27Å; A74-H76 PolarHBondContact O-N 2.87Å; H76-E78 VanDerWaalsContact C-N 3.33Å; H76-E78 PolarHBondContact O-N 3.03Å; H76-V79 PolarHBondContact O-N 2.84Å; H76-L80 HydrophobicContact CB-CD1 4.25Å; H76-L80 WeakPolarHBondContact O-CG 3.44Å; H76-L80 PolarHBondContact O-N 2.87Å
77Q89.8Confident90.8Very high45 Ų4548.5 Ų48.521%0.2125%0.25CC..Hα-helixtrans-53.5-48.1-175.9-172.5-172.5-31.300112.2V79 L80 D81 L138Q77-V79 VanDerWaalsContact C-N 3.32Å; Q77-V79 PolarHBondContact O-N 2.94Å; Q77-L80 PolarHBondContact O-N 2.91Å; Q77-D81 PolarHBondContact NE2-OD2 2.95Å; Q77-D81 WeakPolarHBondContact O-CB 3.31Å; Q77-D81 PolarHBondContact O-N 3.5Å; Q77-L138 HydrophobicContact CB-CD2 3.9Å; Q77-L138 HydrophobicContact CG-CD2 3.78Å
78E90.7Very high90.5Very high172 Ų17250.6 Ų50.680%0.80426%0.259SS*.Hα-helixtrans-62-39.4-177.6-63.5-178.6178.100112.5H76 E82H76-E78 VanDerWaalsContact C-N 3.33Å; H76-E78 PolarHBondContact O-N 3.03Å; E78-E82 PolarHBondContact O-N 3.32Å; E78-E82 VanDerWaalsContact O-N 3.13Å
79V92.5Very high90.2Very high85 Ų8554.6 Ų54.652%0.51528%0.284SS..Hα-helixtrans-67.7-42.8179178.50000110.7H76 Q77 E82 F83 F90H76-V79 PolarHBondContact O-N 2.84Å; Q77-V79 VanDerWaalsContact C-N 3.32Å; Q77-V79 PolarHBondContact O-N 2.94Å; V79-E82 PolarHBondContact O-N 2.87Å; V79-F83 WeakPolarHBondContact O-CB 3.45Å; V79-F83 PolarHBondContact O-N 3.47Å; V79-F90 HydrophobicContact CG1-CE2 4.38Å
80L89.9Confident90Very high6 Ų659.6 Ų59.63%0.03131%0.305CS..Hα-helixtrans-71.1-35.7-179.1-68.4167.5000112.1I73 H76 Q77 F83 F87 F90 M141I73-L80 HydrophobicContact CG2-CD1 3.84Å; H76-L80 HydrophobicContact CB-CD1 4.25Å; H76-L80 WeakPolarHBondContact O-CG 3.44Å; H76-L80 PolarHBondContact O-N 2.87Å; Q77-L80 PolarHBondContact O-N 2.91Å; L80-F83 PolarHBondContact O-N 3.48Å; L80-F87 HydrophobicContact CD1-CD2 4.1Å; L80-F87 HydrophobicContact CD2-CD2 4.25Å; L80-F90 HydrophobicContact CD2-CB 3.91Å; L80-F90 HydrophobicContact CD2-CD1 3.63Å; L80-F90 HydrophobicContact CD2-CD2 4Å; L80-F90 HydrophobicContact CD2-CE1 4.12Å; L80-F90 HydrophobicContact CD2-CE2 4.44Å; L80-F90 HydrophobicContact CD2-CG 3.56Å; L80-F90 HydrophobicContact CD2-CZ 4.5Å; L80-M141 HydrophobicContact CB-CE 3.97Å; L80-M141 HydrophobicContact CB-CG 3.96Å; L80-M141 HydrophobicContact CB-SD 3.47Å; L80-M141 WeakPolarHBondContact CB-SD 3.47Å; L80-M141 HydrophobicContact CD1-CE 3.39Å; L80-M141 HydrophobicContact CD1-SD 3.55Å; L80-M141 VanDerWaalsContact CD1-SD 3.55Å; L80-M141 HydrophobicContact CG-CE 4.3Å; L80-M141 HydrophobicContact CG-SD 4.03Å
81D87.8Confident89.7Confident82 Ų8260.4 Ų60.444%0.43931%0.312SS..Hα-helixtrans-64-39.6173.7-76.3-19.4000111.2Q77Q77-D81 PolarHBondContact NE2-OD2 2.95Å; Q77-D81 WeakPolarHBondContact O-CB 3.31Å; Q77-D81 PolarHBondContact O-N 3.5Å
82E91.6Very high89.5Confident138 Ų13861.7 Ų61.765%0.64533%0.326SS*.Hα-helixtrans-72.7-33.9177.1-171.757.1-145.600112.9E78 V79 K84E78-E82 PolarHBondContact O-N 3.32Å; E78-E82 VanDerWaalsContact O-N 3.13Å; V79-E82 PolarHBondContact O-N 2.87Å; E82-K84 VanDerWaalsContact C-N 3.27Å; E82-K84 WeakPolarHBondContact O-CG 3.48Å; E82-K84 PolarHBondContact O-N 3.08Å
83F90.7Very high89.3Confident93 Ų9360.7 Ų60.741%0.40832%0.32SS..Hα-helixtrans-62.5-30.2-178.9178.7-110.1000113.4V79 L80 G85 T89 F90V79-F83 WeakPolarHBondContact O-CB 3.45Å; V79-F83 PolarHBondContact O-N 3.47Å; L80-F83 PolarHBondContact O-N 3.48Å; F83-G85 PolarHBondContact O-N 3.25Å; F83-T89 HydrophobicContact CE1-CG2 4.22Å; F83-T89 HydrophobicContact CZ-CG2 4.19Å; F83-F90 HydrophobicContact CD1-CB 3.88Å; F83-F90 HydrophobicContact CD1-CD2 4.06Å; F83-F90 HydrophobicContact CD1-CG 4.47Å; F83-F90 HydrophobicContact CD2-CD2 4.22Å; F83-F90 HydrophobicContact CE1-CB 3.73Å; F83-F90 HydrophobicContact CE1-CD2 4.32Å; F83-F90 HydrophobicContact CE2-CD2 4.47Å; F83-F90 HydrophobicContact CG-CD2 4.01Å; F83-F90 HydrophobicContact CZ-CB 4.39Å
84K82.6Confident88.6Confident168 Ų16867.9 Ų67.973%0.7335%0.354SS*.  trans58.6-12.9177.3-63.6167.9-169.6166.30116.9E82 G86E82-K84 VanDerWaalsContact C-N 3.27Å; E82-K84 WeakPolarHBondContact O-CG 3.48Å; E82-K84 PolarHBondContact O-N 3.08Å; K84-G86 VanDerWaalsContact C-N 3.3Å; K84-G86 PolarHBondContact O-N 2.84Å
85G79.5Confident88Confident36 Ų3673.1 Ų73.137%0.37138%0.381SS..SBendtrans-81.3-3.4177.800000114.8F83 T89F83-G85 PolarHBondContact O-N 3.25Å; G85-T89 WeakPolarHBondContact O-CB 3.29Å; G85-T89 PolarHBondContact O-OG1 3.38Å
86G84.4Confident87.8Confident25 Ų2571.6 Ų71.626%0.25838%0.376SS..Hα-helixtrans77.9161.7-177.700000113.9K84 K88 T89 F90K84-G86 VanDerWaalsContact C-N 3.3Å; K84-G86 PolarHBondContact O-N 2.84Å; G86-K88 PolarHBondContact O-N 3.07Å; G86-T89 PolarHBondContact O-N 3.36Å; G86-F90 PolarHBondContact O-N 3.18Å
87F90.5Very high87.9Confident3 Ų368.6 Ų68.61%0.01336%0.362CS..Hα-helixtrans-62.4-41.6-174.7176.2-94.7000113.5V68 I73 L80 T89 F90 A91 L93 L98 M141 V142V68-F87 HydrophobicContact CB-CE1 4.47Å; V68-F87 HydrophobicContact CG1-CE1 3.91Å; V68-F87 HydrophobicContact CG1-CZ 4.14Å; V68-F87 HydrophobicContact CG2-CE1 4.48Å; I73-F87 HydrophobicContact CD1-CD2 4.13Å; I73-F87 HydrophobicContact CD1-CE1 4.21Å; I73-F87 HydrophobicContact CD1-CE2 3.59Å; I73-F87 HydrophobicContact CD1-CZ 3.64Å; I73-F87 HydrophobicContact CG1-CD2 4.43Å; I73-F87 HydrophobicContact CG1-CE2 3.76Å; I73-F87 HydrophobicContact CG1-CZ 4.17Å; L80-F87 HydrophobicContact CD1-CD2 4.1Å; L80-F87 HydrophobicContact CD2-CD2 4.25Å; F87-T89 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 3.2Å; F87-F90 WeakPolarHBondContact O-CB 3.34Å; F87-F90 PolarHBondContact O-N 3.41Å; F87-F90 VanDerWaalsContact O-N 3.17Å; F87-A91 HydrophobicContact CE1-CB 4.28Å; F87-A91 HydrophobicContact CZ-CB 4.2Å; F87-A91 WeakPolarHBondContact O-CB 3.44Å; F87-A91 PolarHBondContact O-N 3.42Å; F87-L93 HydrophobicContact CE1-CD1 4.47Å; F87-L98 HydrophobicContact CD1-CD1 3.86Å; F87-L98 HydrophobicContact CE1-CD1 4.06Å; F87-M141 HydrophobicContact CB-SD 4.41Å; F87-V142 HydrophobicContact CB-CB 4.48Å; F87-V142 HydrophobicContact CB-CG1 4.36Å; F87-V142 HydrophobicContact CD1-CG1 4.12Å; F87-V142 HydrophobicContact CG-CG1 4.27Å
88K89.8Confident88.2Confident45 Ų4566.4 Ų66.420%0.19635%0.352CS..Hα-helixtrans-56.8-47.2178.7-69.8-170.4-177-158.60112G86 A91 G92 L93 T96 L98 D145G86-K88 PolarHBondContact O-N 3.07Å; K88-A91 PolarHBondContact O-N 3.47Å; K88-G92 PolarHBondContact O-N 2.84Å; K88-L93 PolarHBondContact O-N 3.45Å; K88-T96 PolarHBondContact NZ-O 3.49Å; K88-L98 HydrophobicContact CD-CD1 4.21Å; K88-L98 HydrophobicContact CG-CD1 3.55Å; K88-L98 HydrophobicContact CG-CG 4.33Å; K88-D145 IonicContact NZ-OD1 3.54Å; K88-D145 IonicContact NZ-OD2 3.27Å; K88-D145 PolarHBondContact NZ-OD2 2.95Å
89T89.9Confident88.5Confident85 Ų8558.2 Ų58.252%0.52131%0.314SS..Hα-helixtrans-66.3-40.7177.9-47.90000111.2F83 G85 G86 F87 A91 G92F83-T89 HydrophobicContact CE1-CG2 4.22Å; F83-T89 HydrophobicContact CZ-CG2 4.19Å; G85-T89 WeakPolarHBondContact O-CB 3.29Å; G85-T89 PolarHBondContact O-OG1 3.38Å; G86-T89 PolarHBondContact O-N 3.36Å; F87-T89 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 3.2Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 3.46Å; T89-G92 PolarHBondContact O-N 3.39Å
90F90.8Very high88.7Confident104 Ų10454.2 Ų54.246%0.45629%0.289SS..Hα-helixtrans-60.4-43.2177.6-178.3-94.3000112.2V79 L80 F83 G86 F87 G92V79-F90 HydrophobicContact CG1-CE2 4.38Å; L80-F90 HydrophobicContact CD2-CB 3.91Å; L80-F90 HydrophobicContact CD2-CD1 3.63Å; L80-F90 HydrophobicContact CD2-CD2 4Å; L80-F90 HydrophobicContact CD2-CE1 4.12Å; L80-F90 HydrophobicContact CD2-CE2 4.44Å; L80-F90 HydrophobicContact CD2-CG 3.56Å; L80-F90 HydrophobicContact CD2-CZ 4.5Å; F83-F90 HydrophobicContact CD1-CB 3.88Å; F83-F90 HydrophobicContact CD1-CD2 4.06Å; F83-F90 HydrophobicContact CD1-CG 4.47Å; F83-F90 HydrophobicContact CD2-CD2 4.22Å; F83-F90 HydrophobicContact CE1-CB 3.73Å; F83-F90 HydrophobicContact CE1-CD2 4.32Å; F83-F90 HydrophobicContact CE2-CD2 4.47Å; F83-F90 HydrophobicContact CG-CD2 4.01Å; F83-F90 HydrophobicContact CZ-CB 4.39Å; G86-F90 PolarHBondContact O-N 3.18Å; F87-F90 WeakPolarHBondContact O-CB 3.34Å; F87-F90 PolarHBondContact O-N 3.41Å; F87-F90 VanDerWaalsContact O-N 3.17Å; F90-G92 VanDerWaalsContact C-N 3.28Å; F90-G92 PolarHBondContact O-N 3.45Å
91A89.3Confident89Confident18 Ų1853.9 Ų53.915%0.14929%0.288CS..THydrogen-bonded Turntrans-832.4179.300000113.9F87 K88 T89 L93F87-A91 HydrophobicContact CE1-CB 4.28Å; F87-A91 HydrophobicContact CZ-CB 4.2Å; F87-A91 WeakPolarHBondContact O-CB 3.44Å; F87-A91 PolarHBondContact O-N 3.42Å; K88-A91 PolarHBondContact O-N 3.47Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 3.46Å; A91-L93 VanDerWaalsContact C-N 3.25Å; A91-L93 HydrophobicContact CB-CD1 4.01Å; A91-L93 HydrophobicContact CB-CG 3.85Å; A91-L93 PolarHBondContact O-N 2.9Å
92G88.1Confident89.3Confident30 Ų3050.1 Ų50.131%0.30927%0.267SS..THydrogen-bonded Turntrans64.727.5-177.500000113.9K88 T89 F90 H94K88-G92 PolarHBondContact O-N 2.84Å; T89-G92 PolarHBondContact O-N 3.39Å; F90-G92 VanDerWaalsContact C-N 3.28Å; F90-G92 PolarHBondContact O-N 3.45Å; G92-H94 PolarHBondContact O-CD2 3.47Å; G92-H94 PolarHBondContact O-N 3.17Å
93L86.2Confident89.3Confident9 Ų944.3 Ų44.35%0.04724%0.24CC..  trans-91.9101.9-177.9-61.7-178.3000110.4G46 F87 K88 A91 L98G46-L93 WeakPolarHBondContact O-CD2 3.4Å; F87-L93 HydrophobicContact CE1-CD1 4.47Å; K88-L93 PolarHBondContact O-N 3.45Å; A91-L93 VanDerWaalsContact C-N 3.25Å; A91-L93 HydrophobicContact CB-CD1 4.01Å; A91-L93 HydrophobicContact CB-CG 3.85Å; A91-L93 PolarHBondContact O-N 2.9Å; L93-L98 HydrophobicContact CD1-CD2 3.8Å
94H80.6Confident89.3Confident151 Ų15140.2 Ų40.270%0.69922%0.223SC*.  trans-97.2130.8177.5-54-63.6000109.9G92 T96G92-H94 PolarHBondContact O-CD2 3.47Å; G92-H94 PolarHBondContact O-N 3.17Å; H94-T96 PolarHBondContact O-N 2.87Å; H94-T96 PolarHBondContact O-OG1 2.85Å
95D80.6Confident89.6Confident116 Ų11632.9 Ų32.962%0.6219%0.192SC*.SBendtrans51.331177.3-162.127.7000115H32H32-D95 PolarHBondContact CE1-O 2.8Å; H32-D95 IonicContact CE1-OD1 3.61Å; H32-D95 IonicContact CE1-OD2 3.71Å; H32-D95 PolarHBondContact NE2-O 2.89Å; H32-D95 IonicContact NE2-OD1 2.65Å; H32-D95 PolarHBondContact NE2-OD1 2.86Å; H32-D95 IonicContact NE2-OD2 3.63Å
96T87.6Confident89.9Confident28 Ų2832.3 Ų32.317%0.17218%0.184CC..  trans-99.3134.9179.8-50.10000110.7T66 K88 H94 L98T66-T96 WeakPolarHBondContact OG1-CG2 3.42Å; K88-T96 PolarHBondContact NZ-O 3.49Å; H94-T96 PolarHBondContact O-N 2.87Å; H94-T96 PolarHBondContact O-OG1 2.85Å; T96-L98 HydrophobicContact CG2-CD2 4.32Å
97V93.5Very high89.9Confident1 Ų133.2 Ų33.21%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-80.5125.8170-177.10000109.1I26 H32 V65 T66 D145I26-V97 HydrophobicContact CG2-CB 4.32Å; I26-V97 HydrophobicContact CG2-CG1 3.51Å; I26-V97 HydrophobicContact CG2-CG2 3.97Å; H32-V97 HydrophobicContact CB-CG2 3.75Å; V65-V97 HydrophobicContact CB-CG1 4.46Å; V65-V97 HydrophobicContact CG1-CG1 4.15Å; V65-V97 HydrophobicContact CG2-CB 4.04Å; V65-V97 HydrophobicContact CG2-CG1 3.87Å; T66-V97 PolarHBondContact N-O 3.47Å; V97-D145 WeakPolarHBondContact CA-OD2 3.29Å; V97-D145 HydrophobicContact CG1-CB 3.74Å
98L95.3Very high89.3Confident0 Ų040.4 Ų40.40%022%0.222CC..EExtended strand (participates in β ladder)trans-105.6129.2-179.4-70-171.5000112.6T66 V68 F87 K88 L93 T96 P144 D145 W146T66-L98 HydrophobicContact CG2-CD2 4.32Å; T66-L98 WeakPolarHBondContact O-CA 3.38Å; V68-L98 HydrophobicContact CG1-CD2 4.11Å; F87-L98 HydrophobicContact CD1-CD1 3.86Å; F87-L98 HydrophobicContact CE1-CD1 4.06Å; K88-L98 HydrophobicContact CD-CD1 4.21Å; K88-L98 HydrophobicContact CG-CD1 3.55Å; K88-L98 HydrophobicContact CG-CG 4.33Å; L93-L98 HydrophobicContact CD1-CD2 3.8Å; T96-L98 HydrophobicContact CG2-CD2 4.32Å; L98-P144 HydrophobicContact CB-CB 4.16Å; L98-D145 PolarHBondContact N-OD2 2.92Å; L98-D145 PolarHBondContact O-N 2.89Å; L98-W146 PolarHBondContact O-N 3.01Å
99Y96.6Very high88.7Confident0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-106.7122.5163.2169.7-106.1000109.6L40 T66 Q67 V68 W146 Q148 L255L40-Y99 HydrophobicContact CD1-CD1 3.29Å; L40-Y99 HydrophobicContact CD1-CE1 3.89Å; L40-Y99 HydrophobicContact CD1-CG 3.75Å; T66-Y99 PolarHBondContact O-N 3.37Å; Q67-Y99 CarbonylContact C-O 3.59Å; Q67-Y99 WeakPolarHBondContact CA-O 3.44Å; Q67-Y99 HydrophobicContact CB-CD1 4.25Å; Q67-Y99 HydrophobicContact CG-CD1 4.04Å; Q67-Y99 HydrophobicContact CG-CE1 4.45Å; V68-Y99 PolarHBondContact N-O 3.45Å; Y99-W146 CarbonylContact C-O 3.49Å; Y99-W146 WeakPolarHBondContact CA-O 3.42Å; Y99-W146 HydrophobicContact CD2-CB 3.78Å; Y99-W146 HydrophobicContact CD2-CE3 4.22Å; Y99-W146 HydrophobicContact CG-CE3 4.48Å; Y99-Q148 HydrophobicContact CE2-CB 4.41Å; Y99-L255 HydrophobicContact CE1-CD1 4.14Å; Y99-L255 HydrophobicContact CE1-CD2 4.43Å; Y99-L255 HydrophobicContact CE2-CD1 4.34Å
100C97.1Very high88.3Confident0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-100.6107.4177.3-172.20000110.8V68 L70 P144 W146 Y147 Q148V68-C100 HydrophobicContact CG2-CB 4.15Å; V68-C100 CarbonylContact O-C 3.45Å; V68-C100 WeakPolarHBondContact O-CA 3.47Å; L70-C100 VanDerWaalsContact CD2-SG 3.59Å; C100-P144 HydrophobicContact CB-CB 3.84Å; C100-P144 HydrophobicContact CB-CG 3.87Å; C100-W146 PolarHBondContact N-O 3.49Å; C100-Y147 WeakPolarHBondContact O-CA 3.32Å; C100-Q148 PolarHBondContact O-N 2.88Å
101S96.3Very high87.9Confident0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-85156.1171.466.10000111.2Q67 V68 T69 L70 H103Q67-S101 PolarHBondContact NE2-OG 3.46Å; V68-S101 PolarHBondContact O-N 3Å; V68-S101 PolarHBondContact O-OG 3.23Å; T69-S101 WeakPolarHBondContact CA-O 3.38Å; T69-S101 WeakPolarHBondContact CG2-OG 3.47Å; L70-S101 PolarHBondContact N-O 3.47Å; S101-H103 PolarHBondContact OG-O 2.85Å
102L94.2Very high87.6Confident2 Ų238.6 Ų38.61%0.0123%0.231CC..SBendtrans-70.3-40.2176.5-178.359.5000111.5L70 V119 V121 L130 F135 M150L70-L102 HydrophobicContact CD1-CD1 4.11Å; L102-V119 HydrophobicContact CD2-CG1 3.9Å; L102-V121 HydrophobicContact CD1-CG1 3.84Å; L102-V121 HydrophobicContact CG-CG1 4.28Å; L102-V121 WeakPolarHBondContact O-CG1 3.44Å; L102-L130 HydrophobicContact CD1-CD1 4.12Å; L102-F135 HydrophobicContact CD1-CD2 4.16Å; L102-F135 HydrophobicContact CD1-CE2 4.08Å; L102-M150 HydrophobicContact CD2-CG 4.47Å
103H91.9Very high87.5Confident16 Ų1639.9 Ų39.97%0.07423%0.229CC..SBendtrans-126.1157.1-174.2-60.9-66.3000111.9S101 R109 S120S101-H103 PolarHBondContact OG-O 2.85Å; H103-R109 VanDerWaalsContact CB-NH1 3.29Å; H103-R109 PolarHBondContact CD2-NH1 3.47Å; H103-R109 PolarHBondContact ND1-NH1 3.4Å; H103-R109 PolarHBondContact NE2-NH1 3.06Å; H103-S120 PolarHBondContact CE1-O 3.39Å; H103-S120 VanDerWaalsContact CE1-O 3.28Å
104D91.1Very high87.6Confident8 Ų840 Ų404%0.04323%0.231CC..  trans-84.5120.8163.8-178.9-1.3000109.4Y42 T69 A106 A107Y42-D104 WeakPolarHBondContact CE2-OD1 3.46Å; Y42-D104 PolarHBondContact OH-OD1 3.41Å; Y42-D104 VanDerWaalsContact OH-OD1 3.08Å; Y42-D104 PolarHBondContact OH-OD2 3.3Å; T69-D104 HydrophobicContact CG2-CB 4.01Å; D104-A106 VanDerWaalsContact C-N 3.34Å; D104-A106 WeakPolarHBondContact OD1-CB 3.49Å; D104-A106 PolarHBondContact OD1-N 3.18Å; D104-A107 HydrophobicContact CB-CB 3.97Å
105S87.9Confident88.1Confident13 Ų1335.7 Ų35.79%0.09121%0.214CC..SBendtrans-76.6-17.7179.3-66.50000113.6E277S105-E277 VanDerWaalsContact CB-OE2 3.23Å; S105-E277 WeakPolarHBondContact CB-OE2 3.34Å; S105-E277 PolarHBondContact OG-OE1 3.47Å; S105-E277 PolarHBondContact OG-OE2 3.06Å
106A87.3Confident88.5Confident24 Ų2434.9 Ų34.920%0.19821%0.21CC..SBendtrans-83.9-22.217400000112.7Y42 D104 F279 F282 Q283Y42-A106 HydrophobicContact CE2-CB 4.15Å; Y42-A106 VanDerWaalsContact OH-CB 3.28Å; Y42-A106 WeakPolarHBondContact OH-CB 3.48Å; D104-A106 VanDerWaalsContact C-N 3.34Å; D104-A106 WeakPolarHBondContact OD1-CB 3.49Å; D104-A106 PolarHBondContact OD1-N 3.18Å; A106-F279 HydrophobicContact CB-CB 4.2Å; A106-F282 HydrophobicContact CB-CD1 3.83Å; A106-F282 HydrophobicContact CB-CE1 3.91Å; A106-Q283 HydrophobicContact CB-CG 4.34Å
107A84.4Confident88.6Confident44 Ų4441.5 Ų41.536%0.36424%0.237SC..SBendtrans-87.7138.6-175.800000112.6D104D104-A107 HydrophobicContact CB-CB 3.97Å
108H76.6Confident88.7Confident154 Ų15442.2 Ų42.271%0.71324%0.241SC*.  trans-68.1135.5169.5-176.978.9000110.5
109R77.6Confident88.6Confident40 Ų4042.2 Ų42.215%0.15124%0.241CC..  trans-128.8123.7-176.7-67.5178.5-72.9143-2.2111.3H103 W122H103-R109 VanDerWaalsContact CB-NH1 3.29Å; H103-R109 PolarHBondContact CD2-NH1 3.47Å; H103-R109 PolarHBondContact ND1-NH1 3.4Å; H103-R109 PolarHBondContact NE2-NH1 3.06Å; R109-W122 HydrophobicContact CB-CE3 4.38Å; R109-W122 HydrophobicContact CG-CE3 4.4Å
110P82.4Confident88.5Confident54 Ų5442.2 Ų42.235%0.35124%0.241SC..  trans-60.3143.7169.1-22.233.3000111.4W122P110-W122 HydrophobicContact CB-CZ2 4.13Å; P110-W122 HydrophobicContact CG-CZ2 4.47Å; P110-W122 WeakPolarHBondContact O-CH2 3.28Å; P110-W122 WeakPolarHBondContact O-CZ2 3.49Å
111T81.8Confident88.3Confident57 Ų5742.2 Ų42.235%0.3524%0.241SC..  trans-109.4165.6-179.267.90000112.3H113 W156 Q157T111-H113 PolarHBondContact O-CD2 3Å; T111-W156 HydrophobicContact CG2-CH2 4.33Å; T111-W156 HydrophobicContact CG2-CZ2 3.49Å; T111-W156 VanDerWaalsContact CG2-CZ2 3.49Å; T111-Q157 VanDerWaalsContact CG2-NE2 3.27Å; T111-Q157 PolarHBondContact OG1-NE2 3.34Å
112G82.8Confident88.1Confident64 Ų6444.3 Ų44.366%0.6625%0.249SC*.SBendtrans94.216.2178.800000113.7E154G112-E154 WeakPolarHBondContact CA-OE2 3.46Å; G112-E154 PolarHBondContact N-OE2 3.25Å
113H86.1Confident87.9Confident56 Ų5645 Ų4526%0.25926%0.257SS..  trans-112.210-173.9-65.2-75.7000113.2T111 S120 W122 R127 E154T111-H113 PolarHBondContact O-CD2 3Å; H113-S120 PolarHBondContact O-OG 3.13Å; H113-S120 VanDerWaalsContact O-OG 3.08Å; H113-W122 HydrophobicContact CB-CH2 3.83Å; H113-W122 HydrophobicContact CB-CZ2 3.9Å; H113-W122 AromaticContact CD2-CH2 3.98Å; H113-W122 AromaticContact CD2-CZ2 3.45Å; H113-W122 VanDerWaalsContact CD2-CZ2 3.45Å; H113-W122 WeakPolarHBondContact CD2-CZ2 3.49Å; H113-W122 AromaticContact CG-CZ2 3.78Å; H113-R127 PolarHBondContact ND1-NE 2.8Å; H113-R127 PolarHBondContact ND1-NH1 3.21Å; H113-E154 PolarHBondContact N-OE1 3.34Å; H113-E154 PolarHBondContact N-OE2 3.05Å
114T87.7Confident87.7Confident13 Ų1349.6 Ų49.68%0.0829%0.291CS..  trans-98.7121177.2-62.90000112.3V119 D152 E154 R171T114-V119 HydrophobicContact CG2-CG2 3.97Å; T114-D152 HydrophobicContact CG2-CB 3.73Å; T114-D152 WeakPolarHBondContact CG2-OD1 3.17Å; T114-E154 PolarHBondContact N-OE1 3.18Å; T114-E154 VanDerWaalsContact OG1-CD 3.28Å; T114-E154 PolarHBondContact OG1-OE1 2.85Å; T114-R171 PolarHBondContact O-NH1 3.01Å; T114-R171 PolarHBondContact O-NH2 3.49Å
115T91Very high87.5Confident59 Ų5952.7 Ų52.736%0.36233%0.325SS..  trans-108.4-172.9179.980.20000111.2K117 T118 R171T115-K117 PolarHBondContact OG1-N 3.19Å; T115-K117 VanDerWaalsContact OG1-N 3.12Å; T115-T118 PolarHBondContact N-O 3.26Å; T115-T118 PolarHBondContact OG1-N 3.12Å; T115-T118 PolarHBondContact OG1-OG1 3.42Å; T115-R171 VanDerWaalsContact C-CZ 3.5Å; T115-R171 VanDerWaalsContact C-NH2 3.33Å; T115-R171 PolarHBondContact O-NE 2.82Å
116N89.1Confident87.7Confident100 Ų10053.4 Ų53.454%0.53533%0.334SS..SBendtrans-76.1-13.2173-66.27.2000112.7K167 R171 H175N116-K167 WeakPolarHBondContact OD1-CE 3.34Å; N116-R171 PolarHBondContact OD1-NE 2.84Å; N116-R171 PolarHBondContact OD1-NH2 2.83Å; N116-H175 PolarHBondContact O-CE1 3.43Å
117K91.1Very high88Confident167 Ų16757.2 Ų57.273%0.72634%0.343SS*.SBendtrans-116.7-21.8-174.3-65-174.7178.2-177.20112.8T115T115-K117 PolarHBondContact OG1-N 3.19Å; T115-K117 VanDerWaalsContact OG1-N 3.12Å
118T94.3Very high88.5Confident15 Ų1556.2 Ų56.29%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-138.4141.6-169.654.60000112T115 L130 T131T115-T118 PolarHBondContact N-O 3.26Å; T115-T118 PolarHBondContact OG1-N 3.12Å; T115-T118 PolarHBondContact OG1-OG1 3.42Å; T118-L130 CarbonylContact C-O 3.5Å; T118-L130 WeakPolarHBondContact CA-O 3.49Å; T118-T131 HydrophobicContact CG2-CG2 3.76Å
119V94.4Very high89.4Confident0 Ų053.7 Ų53.70%032%0.32CS..EExtended strand (participates in β ladder)trans-114.7141.4162.8-176.90000107.1L102 T114 L130 M150L102-V119 HydrophobicContact CD2-CG1 3.9Å; T114-V119 HydrophobicContact CG2-CG2 3.97Å; V119-L130 PolarHBondContact N-O 3.02Å; V119-L130 WeakPolarHBondContact O-CA 3.42Å; V119-L130 WeakPolarHBondContact O-CB 3.35Å; V119-L130 PolarHBondContact O-N 2.79Å; V119-M150 HydrophobicContact CB-CG 3.98Å; V119-M150 HydrophobicContact CB-SD 4.13Å; V119-M150 HydrophobicContact CG2-CE 4.09Å; V119-M150 HydrophobicContact CG2-CG 3.65Å; V119-M150 HydrophobicContact CG2-SD 4.02Å
120S93.5Very high90.3Very high0 Ų051.8 Ų51.80%031%0.313CS..EExtended strand (participates in β ladder)trans-103.1141.8-178.8-56.70000110.5H103 H113 W122 R127 I128H103-S120 PolarHBondContact CE1-O 3.39Å; H103-S120 VanDerWaalsContact CE1-O 3.28Å; H113-S120 PolarHBondContact O-OG 3.13Å; H113-S120 VanDerWaalsContact O-OG 3.08Å; S120-W122 WeakPolarHBondContact O-CZ3 3.41Å; S120-R127 PolarHBondContact OG-NE 2.78Å; S120-R127 PolarHBondContact OG-NH2 2.91Å; S120-I128 CarbonylContact C-O 3.5Å; S120-I128 WeakPolarHBondContact CA-O 3.46Å
121V93.6Very high91Very high0 Ų052.1 Ų52.10%031%0.314CS..EExtended strand (participates in β ladder)trans-115.7162.4166.9-59.80000109.5A74 L102 I128 L130A74-V121 HydrophobicContact CB-CG2 4.02Å; L102-V121 HydrophobicContact CD1-CG1 3.84Å; L102-V121 HydrophobicContact CG-CG1 4.28Å; L102-V121 WeakPolarHBondContact O-CG1 3.44Å; V121-I128 HydrophobicContact CG2-CB 3.94Å; V121-I128 PolarHBondContact N-O 3.36Å; V121-I128 PolarHBondContact O-N 3.01Å; V121-L130 HydrophobicContact CB-CD1 4.46Å; V121-L130 HydrophobicContact CG1-CD1 3.68Å; V121-L130 HydrophobicContact CG2-CD1 3.93Å; V121-L130 HydrophobicContact CG2-CG 4.21Å
122W91.8Very high91.7Very high44 Ų4449.6 Ų49.617%0.16730%0.298CS..EExtended strand (participates in β ladder)trans-126.1119.9-179.9-69.8-102.9000109.1S71 R109 P110 H113 S120 G126 R127S71-W122 WeakPolarHBondContact CB-O 3.41Å; R109-W122 HydrophobicContact CB-CE3 4.38Å; R109-W122 HydrophobicContact CG-CE3 4.4Å; P110-W122 HydrophobicContact CB-CZ2 4.13Å; P110-W122 HydrophobicContact CG-CZ2 4.47Å; P110-W122 WeakPolarHBondContact O-CH2 3.28Å; P110-W122 WeakPolarHBondContact O-CZ2 3.49Å; H113-W122 HydrophobicContact CB-CH2 3.83Å; H113-W122 HydrophobicContact CB-CZ2 3.9Å; H113-W122 AromaticContact CD2-CH2 3.98Å; H113-W122 AromaticContact CD2-CZ2 3.45Å; H113-W122 VanDerWaalsContact CD2-CZ2 3.45Å; H113-W122 WeakPolarHBondContact CD2-CZ2 3.49Å; H113-W122 AromaticContact CG-CZ2 3.78Å; S120-W122 WeakPolarHBondContact O-CZ3 3.41Å; W122-G126 WeakPolarHBondContact CA-O 3.41Å; W122-R127 HydrophobicContact CZ2-CG 4.25Å
123G89.2Confident92.3Very high17 Ų1749.7 Ų49.718%0.17529%0.293CS..EExtended strand (participates in β ladder)trans-102.9-171.5170.900000111.3S71 E75 G125 G126S71-G123 WeakPolarHBondContact O-CA 3.36Å; E75-G123 WeakPolarHBondContact OE2-CA 3.43Å; G123-G125 PolarHBondContact O-N 3.26Å; G123-G126 PolarHBondContact N-O 2.9Å; G123-G126 PolarHBondContact O-N 3.05Å; G123-G126 VanDerWaalsContact O-N 3.12Å
124S87.9Confident92.8Very high113 Ų11350.5 Ų50.579%0.7930%0.296SS*.THydrogen-bonded Turntrans-63.6-31.1175.272.30000111.8E75 G126E75-S124 PolarHBondContact OE1-OG 2.68Å; E75-S124 PolarHBondContact OE2-N 3.37Å; E75-S124 PolarHBondContact OE2-OG 3.47Å; S124-G126 VanDerWaalsContact C-N 3.3Å; S124-G126 PolarHBondContact O-N 3.08Å
125G88.1Confident93.2Very high73 Ų7349.9 Ų49.975%0.75329%0.292SS*.THydrogen-bonded Turntrans-80.6-1175.500000115.2E75 G123E75-G125 PolarHBondContact OE2-N 3.11Å; G123-G125 PolarHBondContact O-N 3.26Å
126G91.3Very high93.5Very high28 Ų2847.2 Ų47.229%0.28928%0.275SS..EExtended strand (participates in β ladder)trans104.5-153.217900000114.2W122 G123 S124W122-G126 WeakPolarHBondContact CA-O 3.41Å; G123-G126 PolarHBondContact N-O 2.9Å; G123-G126 PolarHBondContact O-N 3.05Å; G123-G126 VanDerWaalsContact O-N 3.12Å; S124-G126 VanDerWaalsContact C-N 3.3Å; S124-G126 PolarHBondContact O-N 3.08Å
127R93.9Very high93.8Very high103 Ų10343.6 Ų43.639%0.38926%0.26SS..EExtended strand (participates in β ladder)trans-77.7133-169.5-176.8179.6169.5-144.3-6.4112.2H113 S120 W122 E129H113-R127 PolarHBondContact ND1-NE 2.8Å; H113-R127 PolarHBondContact ND1-NH1 3.21Å; S120-R127 PolarHBondContact OG-NE 2.78Å; S120-R127 PolarHBondContact OG-NH2 2.91Å; W122-R127 HydrophobicContact CZ2-CG 4.25Å; R127-E129 IonicContact CZ-OE1 3.6Å; R127-E129 IonicContact NH1-OE1 3.91Å; R127-E129 PolarHBondContact NH1-OE1 2.93Å; R127-E129 IonicContact NH2-OE1 3.01Å; R127-E129 PolarHBondContact NH2-OE1 2.86Å
128I94.4Very high94Very high24 Ų2435.7 Ų35.712%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-124.5117.3176.1-53.9168.7000108.7A74 E75 S120 V121 L130A74-I128 HydrophobicContact CB-CD1 3.85Å; A74-I128 HydrophobicContact CB-CG2 4.39Å; E75-I128 HydrophobicContact CB-CD1 3.87Å; S120-I128 CarbonylContact C-O 3.5Å; S120-I128 WeakPolarHBondContact CA-O 3.46Å; V121-I128 HydrophobicContact CG2-CB 3.94Å; V121-I128 PolarHBondContact N-O 3.36Å; V121-I128 PolarHBondContact O-N 3.01Å; I128-L130 HydrophobicContact CG2-CD2 3.96Å
129E95.1Very high94.1Very high100 Ų10035 Ų3547%0.46722%0.221SC..EExtended strand (participates in β ladder)trans-81130.1174.4-61.3-170.6165.100110.6R127R127-E129 IonicContact CZ-OE1 3.6Å; R127-E129 IonicContact NH1-OE1 3.91Å; R127-E129 PolarHBondContact NH1-OE1 2.93Å; R127-E129 IonicContact NH2-OE1 3.01Å; R127-E129 PolarHBondContact NH2-OE1 2.86Å
130L96.1Very high94Very high0 Ų039.5 Ų39.50%024%0.238CC..EExtended strand (participates in β ladder)trans-113.9117.4177.7-54.5-178.2000109.7L70 L102 T118 V119 V121 I128 K134 L138L70-L130 HydrophobicContact CD1-CD1 4.33Å; L102-L130 HydrophobicContact CD1-CD1 4.12Å; T118-L130 CarbonylContact C-O 3.5Å; T118-L130 WeakPolarHBondContact CA-O 3.49Å; V119-L130 PolarHBondContact N-O 3.02Å; V119-L130 WeakPolarHBondContact O-CA 3.42Å; V119-L130 WeakPolarHBondContact O-CB 3.35Å; V119-L130 PolarHBondContact O-N 2.79Å; V121-L130 HydrophobicContact CB-CD1 4.46Å; V121-L130 HydrophobicContact CG1-CD1 3.68Å; V121-L130 HydrophobicContact CG2-CD1 3.93Å; V121-L130 HydrophobicContact CG2-CG 4.21Å; I128-L130 HydrophobicContact CG2-CD2 3.96Å; L130-K134 HydrophobicContact CD2-CD 3.95Å; L130-K134 HydrophobicContact CD2-CG 4.09Å; L130-L138 HydrophobicContact CD1-CD1 4.4Å; L130-L138 HydrophobicContact CD2-CD1 3.73Å
131T97Very high94Very high62 Ų6240.3 Ų40.338%0.3824%0.242SC..EExtended strand (participates in β ladder)trans-80.3164.9158.759.50000109.3T118 A133 K134 F135T118-T131 HydrophobicContact CG2-CG2 3.76Å; T131-A133 PolarHBondContact O-N 3.04Å; T131-K134 PolarHBondContact O-N 3.41Å; T131-K134 VanDerWaalsContact O-N 3.12Å; T131-K134 PolarHBondContact OG1-N 3.35Å; T131-F135 WeakPolarHBondContact O-CB 3.43Å; T131-F135 PolarHBondContact O-N 3.03Å
132V96.8Very high93.9Very high3 Ų340.4 Ų40.42%0.01824%0.242CC..Hα-helixtrans-55-41.2172.9175.30000111.4K134 F135 M136 M150 H175 E178V132-K134 PolarHBondContact O-N 3.07Å; V132-F135 PolarHBondContact O-N 3.13Å; V132-M136 HydrophobicContact CG1-CG 4.1Å; V132-M136 WeakPolarHBondContact O-CB 3.4Å; V132-M136 VanDerWaalsContact O-CG 3.29Å; V132-M136 WeakPolarHBondContact O-CG 3.32Å; V132-M136 PolarHBondContact O-N 3.44Å; V132-M150 HydrophobicContact CB-CE 4.42Å; V132-M150 HydrophobicContact CG2-CE 3.38Å; V132-M150 HydrophobicContact CG2-SD 4.49Å; V132-H175 HydrophobicContact CG2-CB 4.42Å; V132-E178 HydrophobicContact CB-CG 4.13Å; V132-E178 HydrophobicContact CG1-CB 4Å; V132-E178 HydrophobicContact CG1-CG 3.67Å; V132-E178 HydrophobicContact CG2-CB 4.28Å; V132-E178 HydrophobicContact CG2-CG 4.3Å; V132-E178 WeakPolarHBondContact CG2-OE2 3.11Å
133A96.1Very high93.9Very high67 Ų6741.2 Ų41.255%0.55425%0.248SC*.Hα-helixtrans-60.8-45177.400000112.6T131 A137T131-A133 PolarHBondContact O-N 3.04Å; A133-A137 WeakPolarHBondContact O-CB 3.23Å; A133-A137 PolarHBondContact O-N 3.47Å
134K96.1Very high94.1Very high73 Ų7340.4 Ų40.432%0.31724%0.24SC..Hα-helixtrans-69.5-42.6177.6-173.6173.9176.5-1780111.6L130 T131 V132 M136 A137 L138L130-K134 HydrophobicContact CD2-CD 3.95Å; L130-K134 HydrophobicContact CD2-CG 4.09Å; T131-K134 PolarHBondContact O-N 3.41Å; T131-K134 VanDerWaalsContact O-N 3.12Å; T131-K134 PolarHBondContact OG1-N 3.35Å; V132-K134 PolarHBondContact O-N 3.07Å; K134-M136 PolarHBondContact O-N 2.95Å; K134-A137 WeakPolarHBondContact O-CB 3.36Å; K134-A137 PolarHBondContact O-N 3.48Å; K134-L138 WeakPolarHBondContact O-CG 3.34Å; K134-L138 PolarHBondContact O-N 2.91Å
135F97.3Very high94.5Very high0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-55.8-50.1174.3170.6-93.6000111.2L70 L102 T131 V132 A137 L138 Q139 Y147 Q148 M150L70-F135 HydrophobicContact CD1-CD2 3.45Å; L70-F135 VanDerWaalsContact CD1-CD2 3.45Å; L70-F135 HydrophobicContact CD1-CE2 3.42Å; L70-F135 VanDerWaalsContact CD1-CE2 3.42Å; L102-F135 HydrophobicContact CD1-CD2 4.16Å; L102-F135 HydrophobicContact CD1-CE2 4.08Å; T131-F135 WeakPolarHBondContact O-CB 3.43Å; T131-F135 PolarHBondContact O-N 3.03Å; V132-F135 PolarHBondContact O-N 3.13Å; F135-A137 VanDerWaalsContact C-N 3.32Å; F135-A137 PolarHBondContact O-N 3.49Å; F135-L138 WeakPolarHBondContact O-CB 3.25Å; F135-L138 PolarHBondContact O-N 2.72Å; F135-Q139 HydrophobicContact CD1-CG 4.33Å; F135-Q139 HydrophobicContact CE1-CG 3.86Å; F135-Q139 HydrophobicContact CE2-CG 4.43Å; F135-Q139 HydrophobicContact CZ-CG 3.91Å; F135-Q139 VanDerWaalsContact CZ-NE2 3.29Å; F135-Q139 WeakPolarHBondContact O-CG 3.33Å; F135-Q139 PolarHBondContact O-N 2.99Å; F135-Y147 HydrophobicContact CE1-CD2 4.25Å; F135-Y147 HydrophobicContact CE1-CE2 4.14Å; F135-Y147 HydrophobicContact CZ-CD2 4.02Å; F135-Y147 HydrophobicContact CZ-CE2 4.35Å; F135-Q148 VanDerWaalsContact CZ-O 3.3Å; F135-Q148 WeakPolarHBondContact CZ-O 3.34Å; F135-M150 HydrophobicContact CB-SD 4.01Å; F135-M150 HydrophobicContact CD1-CB 4.18Å; F135-M150 HydrophobicContact CD2-CB 4.18Å; F135-M150 HydrophobicContact CD2-CG 4.42Å; F135-M150 HydrophobicContact CD2-SD 4.5Å; F135-M150 HydrophobicContact CE1-CB 4.25Å; F135-M150 HydrophobicContact CE2-CB 4.23Å; F135-M150 HydrophobicContact CG-CB 4.17Å; F135-M150 HydrophobicContact CG-SD 4.22Å; F135-M150 HydrophobicContact CZ-CB 4.28Å
136M97.1Very high94.8Very high2 Ų232 Ų321%0.0117%0.169CC..Hα-helixtrans-69-28.5179-67.8-57.1-62.900113V132 K134 Q139 R140 C179 V182 H183 L189V132-M136 HydrophobicContact CG1-CG 4.1Å; V132-M136 WeakPolarHBondContact O-CB 3.4Å; V132-M136 VanDerWaalsContact O-CG 3.29Å; V132-M136 WeakPolarHBondContact O-CG 3.32Å; V132-M136 PolarHBondContact O-N 3.44Å; K134-M136 PolarHBondContact O-N 2.95Å; M136-Q139 PolarHBondContact O-N 3.4Å; M136-R140 WeakPolarHBondContact O-CG 3.2Å; M136-R140 PolarHBondContact O-N 2.95Å; M136-C179 HydrophobicContact SD-CB 3.88Å; M136-V182 HydrophobicContact CB-CB 4.4Å; M136-V182 HydrophobicContact CB-CG1 3.71Å; M136-V182 HydrophobicContact CE-CB 4.23Å; M136-V182 HydrophobicContact CE-CG1 4.1Å; M136-V182 HydrophobicContact CG-CB 4.01Å; M136-V182 HydrophobicContact CG-CG1 3.88Å; M136-H183 HydrophobicContact CE-CB 3.96Å; M136-L189 HydrophobicContact CE-CD1 3.41Å; M136-L189 VanDerWaalsContact CE-CD1 3.41Å
137A94.9Very high95.1Very high25 Ų2530.7 Ų30.721%0.20716%0.155CC..Hα-helixtrans-63.8-44.4170.200000111.4A133 K134 F135 Q139 R140 M141A133-A137 WeakPolarHBondContact O-CB 3.23Å; A133-A137 PolarHBondContact O-N 3.47Å; K134-A137 WeakPolarHBondContact O-CB 3.36Å; K134-A137 PolarHBondContact O-N 3.48Å; F135-A137 VanDerWaalsContact C-N 3.32Å; F135-A137 PolarHBondContact O-N 3.49Å; A137-Q139 PolarHBondContact O-N 3.47Å; A137-R140 PolarHBondContact O-N 3.46Å; A137-M141 PolarHBondContact O-N 3.43Å
138L95.3Very high95.3Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-60.5-43.7173.8-68.3168.1000111.5L70 A74 Q77 L130 K134 F135 R140 M141 V142L70-L138 HydrophobicContact CD2-CB 4.02Å; L70-L138 HydrophobicContact CD2-CD1 4.37Å; A74-L138 HydrophobicContact CB-CD1 3.81Å; A74-L138 HydrophobicContact CB-CD2 4.49Å; Q77-L138 HydrophobicContact CB-CD2 3.9Å; Q77-L138 HydrophobicContact CG-CD2 3.78Å; L130-L138 HydrophobicContact CD1-CD1 4.4Å; L130-L138 HydrophobicContact CD2-CD1 3.73Å; K134-L138 WeakPolarHBondContact O-CG 3.34Å; K134-L138 PolarHBondContact O-N 2.91Å; F135-L138 WeakPolarHBondContact O-CB 3.25Å; F135-L138 PolarHBondContact O-N 2.72Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-R140 PolarHBondContact O-N 2.92Å; L138-M141 HydrophobicContact CD2-CE 4.14Å; L138-M141 PolarHBondContact O-N 3.43Å; L138-M141 VanDerWaalsContact O-N 3.16Å; L138-V142 WeakPolarHBondContact O-CG2 3.3Å; L138-V142 PolarHBondContact O-N 2.95Å
139Q95.5Very high95.4Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-61.8-39.9177-62.7-57.9-14.300112.6F135 M136 A137 M141 V142 Q143 P144 Y147 L189F135-Q139 HydrophobicContact CD1-CG 4.33Å; F135-Q139 HydrophobicContact CE1-CG 3.86Å; F135-Q139 HydrophobicContact CE2-CG 4.43Å; F135-Q139 HydrophobicContact CZ-CG 3.91Å; F135-Q139 VanDerWaalsContact CZ-NE2 3.29Å; F135-Q139 WeakPolarHBondContact O-CG 3.33Å; F135-Q139 PolarHBondContact O-N 2.99Å; M136-Q139 PolarHBondContact O-N 3.4Å; A137-Q139 PolarHBondContact O-N 3.47Å; Q139-M141 VanDerWaalsContact C-N 3.3Å; Q139-M141 PolarHBondContact O-N 2.79Å; Q139-V142 PolarHBondContact O-N 3.32Å; Q139-Q143 PolarHBondContact O-N 2.89Å; Q139-P144 WeakPolarHBondContact O-CD 3.33Å; Q139-Y147 HydrophobicContact CG-CD2 4.2Å; Q139-Y147 HydrophobicContact CG-CG 4.27Å; Q139-L189 HydrophobicContact CB-CD2 4.37Å
140R93.6Very high95.4Very high96 Ų9620 Ų2036%0.36211%0.109SC..Hα-helixtrans-66.7-30.1175.4-76-171-61.9151.30.4113.4M136 A137 L138 Q143 E188 L189M136-R140 WeakPolarHBondContact O-CG 3.2Å; M136-R140 PolarHBondContact O-N 2.95Å; A137-R140 PolarHBondContact O-N 3.46Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-R140 PolarHBondContact O-N 2.92Å; R140-Q143 WeakPolarHBondContact O-CG 3.39Å; R140-Q143 PolarHBondContact O-NE2 2.85Å; R140-E188 HydrophobicContact CG-CB 4.49Å; R140-E188 IonicContact NH1-OE1 3.71Å; R140-L189 HydrophobicContact CG-CD1 3.9Å; R140-L189 HydrophobicContact CG-CD2 4.31Å; R140-L189 HydrophobicContact CG-CG 3.88Å
141M92.3Very high95.3Very high17 Ų1720.1 Ų20.18%0.08411%0.11CC..Hα-helixtrans-75.8-47.6175174.9-78-73.700111I73 L80 F87 A137 L138 Q139 Q143I73-M141 HydrophobicContact CG2-CE 3.67Å; L80-M141 HydrophobicContact CB-CE 3.97Å; L80-M141 HydrophobicContact CB-CG 3.96Å; L80-M141 HydrophobicContact CB-SD 3.47Å; L80-M141 WeakPolarHBondContact CB-SD 3.47Å; L80-M141 HydrophobicContact CD1-CE 3.39Å; L80-M141 HydrophobicContact CD1-SD 3.55Å; L80-M141 VanDerWaalsContact CD1-SD 3.55Å; L80-M141 HydrophobicContact CG-CE 4.3Å; L80-M141 HydrophobicContact CG-SD 4.03Å; F87-M141 HydrophobicContact CB-SD 4.41Å; A137-M141 PolarHBondContact O-N 3.43Å; L138-M141 HydrophobicContact CD2-CE 4.14Å; L138-M141 PolarHBondContact O-N 3.43Å; L138-M141 VanDerWaalsContact O-N 3.16Å; Q139-M141 VanDerWaalsContact C-N 3.3Å; Q139-M141 PolarHBondContact O-N 2.79Å; M141-Q143 VanDerWaalsContact C-N 3.33Å; M141-Q143 PolarHBondContact O-N 3Å
142V92.3Very high95.2Very high1 Ų117.1 Ų17.11%0.0069%0.092CC..Hα-helixtrans-67.8-36.8-178.4175.10000111.3I73 F87 L138 Q139 P144I73-V142 HydrophobicContact CD1-CG2 4.15Å; I73-V142 HydrophobicContact CG2-CG2 3.77Å; F87-V142 HydrophobicContact CB-CB 4.48Å; F87-V142 HydrophobicContact CB-CG1 4.36Å; F87-V142 HydrophobicContact CD1-CG1 4.12Å; F87-V142 HydrophobicContact CG-CG1 4.27Å; L138-V142 WeakPolarHBondContact O-CG2 3.3Å; L138-V142 PolarHBondContact O-N 2.95Å; Q139-V142 PolarHBondContact O-N 3.32Å; V142-P144 HydrophobicContact CG1-CB 4.21Å; V142-P144 HydrophobicContact CG1-CG 4.39Å
143Q92Very high94.7Very high62 Ų6217.1 Ų17.129%0.299%0.093SC..  trans51.253-176.6-66.6-165.22300112.8Q139 R140 M141Q139-Q143 PolarHBondContact O-N 2.89Å; R140-Q143 WeakPolarHBondContact O-CG 3.39Å; R140-Q143 PolarHBondContact O-NE2 2.85Å; M141-Q143 VanDerWaalsContact C-N 3.33Å; M141-Q143 PolarHBondContact O-N 3Å
144P93.8Very high94.2Very high0 Ų014.6 Ų14.60%07%0.069CC..  trans-69.9167-179.934.9-36.6000110.5L98 C100 Q139 V142 W146 V192L98-P144 HydrophobicContact CB-CB 4.16Å; C100-P144 HydrophobicContact CB-CB 3.84Å; C100-P144 HydrophobicContact CB-CG 3.87Å; Q139-P144 WeakPolarHBondContact O-CD 3.33Å; V142-P144 HydrophobicContact CG1-CB 4.21Å; V142-P144 HydrophobicContact CG1-CG 4.39Å; P144-W146 WeakPolarHBondContact CB-O 3.41Å; P144-V192 HydrophobicContact CG-CG1 4.49Å; P144-V192 VanDerWaalsContact O-CG1 3.32Å; P144-V192 WeakPolarHBondContact O-CG1 3.32Å; P144-V192 WeakPolarHBondContact O-CG2 3.47Å
145D94.6Very high93.6Very high7 Ų711.2 Ų11.24%0.0376%0.055CC..SBendtrans-79.9-37.2171.7-58.4-88.5000110.1G27 R28 K88 V97 L98 S193G27-D145 VanDerWaalsContact CA-OD1 3.24Å; G27-D145 WeakPolarHBondContact CA-OD1 3.3Å; R28-D145 PolarHBondContact N-OD1 2.88Å; K88-D145 IonicContact NZ-OD1 3.54Å; K88-D145 IonicContact NZ-OD2 3.27Å; K88-D145 PolarHBondContact NZ-OD2 2.95Å; V97-D145 WeakPolarHBondContact CA-OD2 3.29Å; V97-D145 HydrophobicContact CG1-CB 3.74Å; L98-D145 PolarHBondContact N-OD2 2.92Å; L98-D145 PolarHBondContact O-N 2.89Å; D145-S193 PolarHBondContact O-N 3.43Å
146W95.9Very high92.5Very high2 Ų213.5 Ų13.51%0.0086%0.063CC..EExtended strand (participates in β ladder)trans-127.6142.7175.7-54.4-18.2000110.5M6 L23 I26 L34 L40 V65 L98 Y99 C100 P144 S193 F195 L275M6-W146 HydrophobicContact SD-CH2 4.31Å; M6-W146 HydrophobicContact SD-CZ2 3.47Å; M6-W146 WeakPolarHBondContact SD-CZ2 3.34Å; L23-W146 HydrophobicContact CD1-CH2 4.23Å; I26-W146 HydrophobicContact CB-CZ2 4.28Å; I26-W146 HydrophobicContact CD1-CH2 4.14Å; I26-W146 HydrophobicContact CD1-CZ2 3.88Å; I26-W146 HydrophobicContact CG1-CZ2 4.04Å; I26-W146 HydrophobicContact CG2-CH2 4.17Å; I26-W146 HydrophobicContact CG2-CZ2 3.27Å; L34-W146 HydrophobicContact CD2-CH2 4.08Å; L34-W146 HydrophobicContact CD2-CZ3 4.46Å; L40-W146 HydrophobicContact CD2-CZ3 4.39Å; V65-W146 HydrophobicContact CB-CZ3 4.22Å; V65-W146 HydrophobicContact CG1-CE3 3.86Å; V65-W146 HydrophobicContact CG1-CH2 4.39Å; V65-W146 HydrophobicContact CG1-CZ3 3.71Å; V65-W146 HydrophobicContact CG2-CH2 3.69Å; V65-W146 HydrophobicContact CG2-CZ2 4.33Å; V65-W146 HydrophobicContact CG2-CZ3 3.84Å; L98-W146 PolarHBondContact O-N 3.01Å; Y99-W146 CarbonylContact C-O 3.49Å; Y99-W146 WeakPolarHBondContact CA-O 3.42Å; Y99-W146 HydrophobicContact CD2-CB 3.78Å; Y99-W146 HydrophobicContact CD2-CE3 4.22Å; Y99-W146 HydrophobicContact CG-CE3 4.48Å; C100-W146 PolarHBondContact N-O 3.49Å; P144-W146 WeakPolarHBondContact CB-O 3.41Å; W146-S193 VanDerWaalsContact CA-O 3.29Å; W146-S193 WeakPolarHBondContact CA-O 3.37Å; W146-F195 HydrophobicContact CB-CD2 4.23Å; W146-F195 HydrophobicContact CB-CE2 4Å; W146-F195 AromaticContact CD2-CE2 3.94Å; W146-F195 HydrophobicContact CD2-CE2 3.94Å; W146-F195 HydrophobicContact CD2-CZ 4.26Å; W146-F195 HydrophobicContact CE3-CE2 4.19Å; W146-F195 HydrophobicContact CE3-CZ 4.15Å; W146-F195 AromaticContact CG-CE2 3.85Å; W146-F195 HydrophobicContact CG-CE2 3.85Å; W146-L275 HydrophobicContact CH2-CD1 4.48Å; W146-L275 HydrophobicContact CZ3-CD1 4.19Å
147Y97.3Very high91.4Very high0 Ų016.3 Ų16.30%08%0.076CC..EExtended strand (participates in β ladder)trans-137.2147.5166.271-90.1000112.7C100 F135 Q139 H183 V192 S193 V194 F195C100-Y147 WeakPolarHBondContact O-CA 3.32Å; F135-Y147 HydrophobicContact CE1-CD2 4.25Å; F135-Y147 HydrophobicContact CE1-CE2 4.14Å; F135-Y147 HydrophobicContact CZ-CD2 4.02Å; F135-Y147 HydrophobicContact CZ-CE2 4.35Å; Q139-Y147 HydrophobicContact CG-CD2 4.2Å; Q139-Y147 HydrophobicContact CG-CG 4.27Å; Y147-H183 AromaticContact CE1-ND1 3.63Å; Y147-H183 AromaticContact CZ-ND1 3.8Å; Y147-H183 PolarHBondContact OH-ND1 3.26Å; Y147-V192 HydrophobicContact CD1-CG1 3.52Å; Y147-V192 HydrophobicContact CE1-CG1 3.8Å; Y147-S193 PolarHBondContact N-O 3.16Å; Y147-V194 HydrophobicContact CE1-CB 4.49Å; Y147-V194 HydrophobicContact CE1-CG2 3.71Å; Y147-V194 HydrophobicContact CE2-CG1 3.82Å; Y147-V194 HydrophobicContact CE2-CG2 4.29Å; Y147-V194 VanDerWaalsContact CZ-CG2 3.49Å; Y147-V194 VanDerWaalsContact OH-CG2 3.23Å; Y147-V194 WeakPolarHBondContact OH-CG2 3.35Å; Y147-F195 PolarHBondContact O-N 3.17Å
148Q97.4Very high90.2Very high1 Ų121.6 Ų21.61%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-75.3128.8170.6-176.9-173.8-4.800110.1Y99 C100 F135 V197 C223 Q257Y99-Q148 HydrophobicContact CE2-CB 4.41Å; C100-Q148 PolarHBondContact O-N 2.88Å; F135-Q148 VanDerWaalsContact CZ-O 3.3Å; F135-Q148 WeakPolarHBondContact CZ-O 3.34Å; Q148-V197 HydrophobicContact CG-CG2 3.52Å; Q148-C223 HydrophobicContact CG-CB 4.42Å; Q148-Q257 VanDerWaalsContact CD-OE1 3.32Å
149A96.9Very high89.1Confident2 Ų225.2 Ų25.22%0.01714%0.143CC..PPolyproline II helixtrans-62148.2172.900000111.7A151 L176 V194 F195 V197A149-A151 PolarHBondContact O-N 3.24Å; A149-L176 HydrophobicContact CB-CD1 3.68Å; A149-V194 HydrophobicContact CB-CG1 4.32Å; A149-F195 WeakPolarHBondContact CB-O 3.28Å; A149-F195 PolarHBondContact N-O 3.46Å; A149-V197 VanDerWaalsContact O-CG2 3.3Å; A149-V197 WeakPolarHBondContact O-CG2 3.44Å
150M95.3Very high88.5Confident0 Ų026.5 Ų26.50%015%0.151CC..PPolyproline II helixtrans-63.9127177.2-168.1176.783.200110.4L102 V119 V132 F135 H175L102-M150 HydrophobicContact CD2-CG 4.47Å; V119-M150 HydrophobicContact CB-CG 3.98Å; V119-M150 HydrophobicContact CB-SD 4.13Å; V119-M150 HydrophobicContact CG2-CE 4.09Å; V119-M150 HydrophobicContact CG2-CG 3.65Å; V119-M150 HydrophobicContact CG2-SD 4.02Å; V132-M150 HydrophobicContact CB-CE 4.42Å; V132-M150 HydrophobicContact CG2-CE 3.38Å; V132-M150 HydrophobicContact CG2-SD 4.49Å; F135-M150 HydrophobicContact CB-SD 4.01Å; F135-M150 HydrophobicContact CD1-CB 4.18Å; F135-M150 HydrophobicContact CD2-CB 4.18Å; F135-M150 HydrophobicContact CD2-CG 4.42Å; F135-M150 HydrophobicContact CD2-SD 4.5Å; F135-M150 HydrophobicContact CE1-CB 4.25Å; F135-M150 HydrophobicContact CE2-CB 4.23Å; F135-M150 HydrophobicContact CG-CB 4.17Å; F135-M150 HydrophobicContact CG-SD 4.22Å; F135-M150 HydrophobicContact CZ-CB 4.28Å; M150-H175 HydrophobicContact CB-CB 4.39Å; M150-H175 HydrophobicContact CE-CB 3.96Å; M150-H175 VanDerWaalsContact CE-ND1 3.34Å; M150-H175 WeakPolarHBondContact CE-ND1 3.33Å; M150-H175 VanDerWaalsContact O-CB 3.29Å; M150-H175 WeakPolarHBondContact O-CB 3.45Å
151A94.8Very high88.4Confident2 Ų225 Ų252%0.01716%0.156CC..  trans-141.4162.5-17300000112.5A149 V197 E199A149-A151 PolarHBondContact O-N 3.24Å; A151-V197 HydrophobicContact CB-CB 3.61Å; A151-V197 HydrophobicContact CB-CG1 3.69Å; A151-V197 HydrophobicContact CB-CG2 3.74Å; A151-E199 WeakPolarHBondContact CB-OE1 3.45Å
152D93.4Very high88.4Confident0 Ų031.4 Ų31.40%018%0.179CC..  trans-100.674.1177.5-177.73.7000110.5T114 E154 R164 S168 R171 S172T114-D152 HydrophobicContact CG2-CB 3.73Å; T114-D152 WeakPolarHBondContact CG2-OD1 3.17Å; D152-E154 PolarHBondContact O-N 2.9Å; D152-R164 IonicContact OD1-CZ 2.91Å; D152-R164 IonicContact OD1-NH1 3.61Å; D152-R164 PolarHBondContact OD1-NH1 3.05Å; D152-R164 IonicContact OD1-NH2 3.53Å; D152-R164 PolarHBondContact OD1-NH2 3.06Å; D152-R164 IonicContact OD2-CZ 2.87Å; D152-R164 IonicContact OD2-NH1 3.86Å; D152-R164 PolarHBondContact OD2-NH1 3.38Å; D152-R164 IonicContact OD2-NH2 3.58Å; D152-R164 PolarHBondContact OD2-NH2 3.4Å; D152-S168 WeakPolarHBondContact O-CB 3.19Å; D152-R171 HydrophobicContact CB-CB 4.22Å; D152-R171 WeakPolarHBondContact OD2-CD 3.27Å; D152-R171 IonicContact OD2-CZ 3.15Å; D152-R171 IonicContact OD2-NE 3.51Å; D152-R171 IonicContact OD2-NH1 3.69Å; D152-R171 PolarHBondContact OD2-NH1 3.36Å; D152-S172 PolarHBondContact N-OG 2.92Å
153G87.1Confident88.4Confident3 Ų339.9 Ų39.93%0.03122%0.216CC..  trans-67.7-15.3-177.400000114.9T155 W156 E199G153-T155 PolarHBondContact O-N 2.85Å; G153-W156 WeakPolarHBondContact O-CZ3 3.43Å; G153-E199 VanDerWaalsContact CA-OE1 3.28Å; G153-E199 WeakPolarHBondContact CA-OE1 3.29Å; G153-E199 WeakPolarHBondContact CA-OE2 3.44Å; G153-E199 PolarHBondContact N-OE1 2.6Å
154E85.8Confident88.5Confident13 Ų1339.5 Ų39.56%0.06121%0.212CC..  trans-72.357.4-168.2-59.7176.1-165.100114.1G112 H113 T114 D152 W156 Q157 R164G112-E154 WeakPolarHBondContact CA-OE2 3.46Å; G112-E154 PolarHBondContact N-OE2 3.25Å; H113-E154 PolarHBondContact N-OE1 3.34Å; H113-E154 PolarHBondContact N-OE2 3.05Å; T114-E154 PolarHBondContact N-OE1 3.18Å; T114-E154 VanDerWaalsContact OG1-CD 3.28Å; T114-E154 PolarHBondContact OG1-OE1 2.85Å; D152-E154 PolarHBondContact O-N 2.9Å; E154-W156 HydrophobicContact CB-CH2 4.39Å; E154-W156 HydrophobicContact CB-CZ3 4.43Å; E154-W156 HydrophobicContact CG-CH2 4.04Å; E154-W156 HydrophobicContact CG-CZ3 4.4Å; E154-Q157 PolarHBondContact O-OE1 3.12Å; E154-R164 PolarHBondContact O-NH2 2.93Å
155T83Confident88.5Confident3 Ų339.5 Ų39.52%0.01821%0.212CC..  trans-128.26.7-179.459.20000113.8G153 Q157 S168 G201G153-T155 PolarHBondContact O-N 2.85Å; T155-Q157 VanDerWaalsContact C-N 3.29Å; T155-Q157 PolarHBondContact O-N 3.02Å; T155-S168 VanDerWaalsContact CG2-OG 3.29Å; T155-S168 WeakPolarHBondContact CG2-OG 3.3Å; T155-G201 WeakPolarHBondContact OG1-CA 3.28Å; T155-G201 PolarHBondContact OG1-N 3.49Å
156W73.6Confident88.5Confident48 Ų4846 Ų4618%0.18224%0.236CC..  trans-80.7-5.7179.765.680.1000113.5T111 G153 E154 Q228 A231T111-W156 HydrophobicContact CG2-CH2 4.33Å; T111-W156 HydrophobicContact CG2-CZ2 3.49Å; T111-W156 VanDerWaalsContact CG2-CZ2 3.49Å; G153-W156 WeakPolarHBondContact O-CZ3 3.43Å; E154-W156 HydrophobicContact CB-CH2 4.39Å; E154-W156 HydrophobicContact CB-CZ3 4.43Å; E154-W156 HydrophobicContact CG-CH2 4.04Å; E154-W156 HydrophobicContact CG-CZ3 4.4Å; W156-Q228 HydrophobicContact CB-CG 4.46Å; W156-A231 HydrophobicContact CB-CB 3.58Å; W156-A231 HydrophobicContact CG-CB 4.37Å; W156-A231 WeakPolarHBondContact O-CB 3.44Å
157Q74.4Confident88.5Confident60 Ų6050.1 Ų50.128%0.2825%0.254SS..SBendtrans-73.7138.8178.7-54.594.7-28.500111.3T111 E154 T155 G159 T160T111-Q157 VanDerWaalsContact CG2-NE2 3.27Å; T111-Q157 PolarHBondContact OG1-NE2 3.34Å; E154-Q157 PolarHBondContact O-OE1 3.12Å; T155-Q157 VanDerWaalsContact C-N 3.29Å; T155-Q157 PolarHBondContact O-N 3.02Å; Q157-G159 PolarHBondContact O-N 2.96Å; Q157-T160 WeakPolarHBondContact O-CB 3.49Å; Q157-T160 PolarHBondContact O-N 3.43Å; Q157-T160 PolarHBondContact O-OG1 3.15Å
158T69.6Low88.4Confident137 Ų13750.1 Ų50.184%0.8425%0.254SS*.THydrogen-bonded Turntrans-57.8133.1175.6-34.50000111
159G72.4Confident88.3Confident75 Ų7550.1 Ų50.177%0.77325%0.253SS*.THydrogen-bonded Turntrans80.615.1177.800000115Q157 S161Q157-G159 PolarHBondContact O-N 2.96Å; G159-S161 PolarHBondContact O-N 3.05Å
160T83.3Confident88.3Confident27 Ų2754.2 Ų54.217%0.16628%0.275CS..  trans-61.8125173.9-62.90000110.9Q157 R164 V165Q157-T160 WeakPolarHBondContact O-CB 3.49Å; Q157-T160 PolarHBondContact O-N 3.43Å; Q157-T160 PolarHBondContact O-OG1 3.15Å; T160-R164 HydrophobicContact CG2-CB 3.74Å; T160-R164 HydrophobicContact CG2-CG 3.45Å; T160-R164 VanDerWaalsContact CG2-CG 3.45Å; T160-V165 HydrophobicContact CG2-CG2 3.82Å
161S90.5Very high88.4Confident66 Ų6655.2 Ų55.246%0.46228%0.279SS..  trans-64.7146.6-17972.30000112.4G159 K163 R164 V165G159-S161 PolarHBondContact O-N 3.05Å; S161-K163 PolarHBondContact O-N 3.19Å; S161-K163 VanDerWaalsContact O-N 3.07Å; S161-R164 WeakPolarHBondContact O-CA 3.26Å; S161-R164 WeakPolarHBondContact O-CB 3.32Å; S161-R164 PolarHBondContact O-N 3.3Å; S161-R164 PolarHBondContact OG-N 2.72Å; S161-V165 PolarHBondContact O-N 3.38Å; S161-V165 VanDerWaalsContact O-N 3.11Å
162R92.3Very high88.5Confident151 Ų15155.4 Ų55.457%0.5728%0.28SS*.Hα-helixtrans-50.7-36.3172.9-176.1177.8-67.7-164.5-2.2113.3R164 V165 R166 I203 E205R162-R164 VanDerWaalsContact C-N 3.35Å; R162-R164 PolarHBondContact O-N 3.48Å; R162-V165 PolarHBondContact O-N 3.46Å; R162-R166 WeakPolarHBondContact O-CB 3.33Å; R162-R166 PolarHBondContact O-N 3Å; R162-I203 VanDerWaalsContact CA-CD1 3.5Å; R162-I203 HydrophobicContact CB-CD1 3.67Å; R162-I203 HydrophobicContact CG-CD1 3.71Å; R162-E205 IonicContact NH1-OE2 2.75Å
163K93.6Very high88.7Confident178 Ų17856.2 Ų56.277%0.77429%0.285SS*.Hα-helixtrans-62.7-38.7175.7-175.5179.6179-179.70112.5S161 K167S161-K163 PolarHBondContact O-N 3.19Å; S161-K163 VanDerWaalsContact O-N 3.07Å; K163-K167 WeakPolarHBondContact O-CB 3.43Å; K163-K167 PolarHBondContact O-N 3.06Å; K163-K167 VanDerWaalsContact O-N 3.16Å
164R93Very high89.2Confident55 Ų5558.7 Ų58.721%0.20830%0.304CS..Hα-helixtrans-72.2-38.3178.5171.561.5-172.3105.2-6.1111.7D152 E154 T160 S161 R162 K167 S168D152-R164 IonicContact OD1-CZ 2.91Å; D152-R164 IonicContact OD1-NH1 3.61Å; D152-R164 PolarHBondContact OD1-NH1 3.05Å; D152-R164 IonicContact OD1-NH2 3.53Å; D152-R164 PolarHBondContact OD1-NH2 3.06Å; D152-R164 IonicContact OD2-CZ 2.87Å; D152-R164 IonicContact OD2-NH1 3.86Å; D152-R164 PolarHBondContact OD2-NH1 3.38Å; D152-R164 IonicContact OD2-NH2 3.58Å; D152-R164 PolarHBondContact OD2-NH2 3.4Å; E154-R164 PolarHBondContact O-NH2 2.93Å; T160-R164 HydrophobicContact CG2-CB 3.74Å; T160-R164 HydrophobicContact CG2-CG 3.45Å; T160-R164 VanDerWaalsContact CG2-CG 3.45Å; S161-R164 WeakPolarHBondContact O-CA 3.26Å; S161-R164 WeakPolarHBondContact O-CB 3.32Å; S161-R164 PolarHBondContact O-N 3.3Å; S161-R164 PolarHBondContact OG-N 2.72Å; R162-R164 VanDerWaalsContact C-N 3.35Å; R162-R164 PolarHBondContact O-N 3.48Å; R164-K167 WeakPolarHBondContact O-CB 3.41Å; R164-K167 PolarHBondContact O-N 2.87Å; R164-S168 PolarHBondContact O-N 3.37Å; R164-S168 VanDerWaalsContact O-N 3.14Å
165V93.4Very high89.7Confident0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-64-52174.6177.70000110.9T160 S161 R162 K167 S168 V169 G200 I203 E206T160-V165 HydrophobicContact CG2-CG2 3.82Å; S161-V165 PolarHBondContact O-N 3.38Å; S161-V165 VanDerWaalsContact O-N 3.11Å; R162-V165 PolarHBondContact O-N 3.46Å; V165-K167 PolarHBondContact O-N 3.35Å; V165-S168 PolarHBondContact O-N 2.68Å; V165-S168 PolarHBondContact O-OG 3.38Å; V165-V169 PolarHBondContact O-N 3.05Å; V165-G200 WeakPolarHBondContact CG1-O 3.37Å; V165-I203 HydrophobicContact CB-CD1 3.94Å; V165-I203 HydrophobicContact CG1-CB 4.28Å; V165-I203 HydrophobicContact CG1-CD1 4.14Å; V165-I203 HydrophobicContact CG1-CG1 4.28Å; V165-I203 HydrophobicContact CG2-CD1 3.87Å; V165-I203 HydrophobicContact CG2-CG1 4.29Å; V165-E206 HydrophobicContact CG1-CB 3.84Å; V165-E206 HydrophobicContact CG1-CG 4Å
166R95.4Very high90.4Very high144 Ų14458.3 Ų58.354%0.54330%0.302SS..Hα-helixtrans-56.1-39.4175.9-176.2168.3174.2168.63.3112.5R162 S168 V169 D170R162-R166 WeakPolarHBondContact O-CB 3.33Å; R162-R166 PolarHBondContact O-N 3Å; R166-S168 VanDerWaalsContact C-N 3.3Å; R166-S168 PolarHBondContact O-N 3.19Å; R166-V169 PolarHBondContact O-N 3.05Å; R166-D170 PolarHBondContact O-N 3.07Å
167K95.3Very high91.6Very high88 Ų8858.7 Ų58.738%0.38331%0.308SS..Hα-helixtrans-62.9-33.9176.6-164.8-175.8-169.8-169.30112.7N116 K163 R164 V165 R171N116-K167 WeakPolarHBondContact OD1-CE 3.34Å; K163-K167 WeakPolarHBondContact O-CB 3.43Å; K163-K167 PolarHBondContact O-N 3.06Å; K163-K167 VanDerWaalsContact O-N 3.16Å; R164-K167 WeakPolarHBondContact O-CB 3.41Å; R164-K167 PolarHBondContact O-N 2.87Å; V165-K167 PolarHBondContact O-N 3.35Å; K167-R171 VanDerWaalsContact CE-NH2 3.28Å; K167-R171 HydrophobicContact CG-CG 4.48Å; K167-R171 WeakPolarHBondContact O-CB 3.48Å; K167-R171 WeakPolarHBondContact O-CD 3.34Å; K167-R171 WeakPolarHBondContact O-CG 3.42Å; K167-R171 PolarHBondContact O-N 3.08Å
168S95.1Very high92.7Very high0 Ų060.5 Ų60.50%032%0.317CS..Hα-helixtrans-68.8-39.8176.2680000111.8D152 T155 R164 V165 R166 R171 S172D152-S168 WeakPolarHBondContact O-CB 3.19Å; T155-S168 VanDerWaalsContact CG2-OG 3.29Å; T155-S168 WeakPolarHBondContact CG2-OG 3.3Å; R164-S168 PolarHBondContact O-N 3.37Å; R164-S168 VanDerWaalsContact O-N 3.14Å; V165-S168 PolarHBondContact O-N 2.68Å; V165-S168 PolarHBondContact O-OG 3.38Å; R166-S168 VanDerWaalsContact C-N 3.3Å; R166-S168 PolarHBondContact O-N 3.19Å; S168-R171 PolarHBondContact O-N 2.79Å; S168-S172 VanDerWaalsContact O-CB 3.32Å; S168-S172 WeakPolarHBondContact O-CB 3.37Å; S168-S172 PolarHBondContact O-N 3.06Å; S168-S172 PolarHBondContact O-OG 2.69Å
169V96.8Very high94Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-60.2-51.8174.5178.50000110.2V165 R166 R171 S172 L173 E199 E206V165-V169 PolarHBondContact O-N 3.05Å; R166-V169 PolarHBondContact O-N 3.05Å; V169-R171 VanDerWaalsContact C-N 3.34Å; V169-R171 PolarHBondContact O-N 3.32Å; V169-S172 PolarHBondContact O-N 3.22Å; V169-L173 HydrophobicContact CG1-CD1 4.01Å; V169-L173 WeakPolarHBondContact O-CG 3.29Å; V169-L173 PolarHBondContact O-N 3.5Å; V169-E199 HydrophobicContact CG2-CB 4.22Å; V169-E206 HydrophobicContact CG2-CB 4.28Å
170D97Very high95.2Very high88 Ų8851 Ų5147%0.47124%0.243SC..Hα-helixtrans-58.9-43.2-179.9-67.3-27000112R166 A174R166-D170 PolarHBondContact O-N 3.07Å; D170-A174 WeakPolarHBondContact O-CB 3.43Å; D170-A174 PolarHBondContact O-N 2.95Å
171R96Very high95.8Very high22 Ų2254.5 Ų54.58%0.08326%0.26CS..Hα-helixtrans-64.6-44.9177.5-77.1167.3172.3-172.5-13112.2T114 T115 N116 D152 K167 S168 V169 L173 A174 H175T114-R171 PolarHBondContact O-NH1 3.01Å; T114-R171 PolarHBondContact O-NH2 3.49Å; T115-R171 VanDerWaalsContact C-CZ 3.5Å; T115-R171 VanDerWaalsContact C-NH2 3.33Å; T115-R171 PolarHBondContact O-NE 2.82Å; N116-R171 PolarHBondContact OD1-NE 2.84Å; N116-R171 PolarHBondContact OD1-NH2 2.83Å; D152-R171 HydrophobicContact CB-CB 4.22Å; D152-R171 WeakPolarHBondContact OD2-CD 3.27Å; D152-R171 IonicContact OD2-CZ 3.15Å; D152-R171 IonicContact OD2-NE 3.51Å; D152-R171 IonicContact OD2-NH1 3.69Å; D152-R171 PolarHBondContact OD2-NH1 3.36Å; K167-R171 VanDerWaalsContact CE-NH2 3.28Å; K167-R171 HydrophobicContact CG-CG 4.48Å; K167-R171 WeakPolarHBondContact O-CB 3.48Å; K167-R171 WeakPolarHBondContact O-CD 3.34Å; K167-R171 WeakPolarHBondContact O-CG 3.42Å; K167-R171 PolarHBondContact O-N 3.08Å; S168-R171 PolarHBondContact O-N 2.79Å; V169-R171 VanDerWaalsContact C-N 3.34Å; V169-R171 PolarHBondContact O-N 3.32Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 2.99Å; R171-A174 PolarHBondContact O-N 2.81Å; R171-H175 WeakPolarHBondContact O-CB 3.41Å; R171-H175 PolarHBondContact O-CD2 2.97Å; R171-H175 VanDerWaalsContact O-CG 3.23Å; R171-H175 PolarHBondContact O-N 2.95Å
172S97.3Very high96.1Very high6 Ų653.7 Ų53.74%0.04225%0.252CS..Hα-helixtrans-66.5-38.4-177.2-56.20000111.3D152 S168 V169 L176 E199D152-S172 PolarHBondContact N-OG 2.92Å; S168-S172 VanDerWaalsContact O-CB 3.32Å; S168-S172 WeakPolarHBondContact O-CB 3.37Å; S168-S172 PolarHBondContact O-N 3.06Å; S168-S172 PolarHBondContact O-OG 2.69Å; V169-S172 PolarHBondContact O-N 3.22Å; S172-L176 VanDerWaalsContact O-CB 3.27Å; S172-L176 WeakPolarHBondContact O-CB 3.31Å; S172-L176 PolarHBondContact O-N 3.18Å; S172-E199 WeakPolarHBondContact OG-CG 3.37Å
173L98Very high96.3Very high17 Ų1748 Ų489%0.08923%0.232CC..Hα-helixtrans-65.2-43.9172.4-68.2171.6000111.9V169 R171 H175 L176 D177 E213V169-L173 HydrophobicContact CG1-CD1 4.01Å; V169-L173 WeakPolarHBondContact O-CG 3.29Å; V169-L173 PolarHBondContact O-N 3.5Å; R171-L173 VanDerWaalsContact C-N 3.34Å; R171-L173 PolarHBondContact O-N 2.99Å; L173-H175 PolarHBondContact O-N 2.98Å; L173-L176 PolarHBondContact O-N 2.83Å; L173-D177 VanDerWaalsContact O-CG 3.32Å; L173-D177 PolarHBondContact O-N 2.92Å; L173-E213 HydrophobicContact CD1-CB 3.6Å; L173-E213 HydrophobicContact CD1-CG 4.04Å; L173-E213 HydrophobicContact CD2-CB 3.72Å; L173-E213 HydrophobicContact CG-CB 4.33Å
174A97.6Very high96.3Very high54 Ų5446 Ų4645%0.44623%0.225SC..Hα-helixtrans-62.4-43.4177.100000112.2D170 R171 D177 E178D170-A174 WeakPolarHBondContact O-CB 3.43Å; D170-A174 PolarHBondContact O-N 2.95Å; R171-A174 PolarHBondContact O-N 2.81Å; A174-D177 PolarHBondContact O-N 3.38Å; A174-E178 PolarHBondContact O-N 2.8Å; A174-E178 VanDerWaalsContact O-N 3.07Å
175H97Very high96.3Very high4 Ų451.6 Ų51.62%0.01925%0.251CS..Hα-helixtrans-65.9-40.2175.8-68.8-33.9000112.2N116 V132 M150 R171 L173 E178 C179N116-H175 PolarHBondContact O-CE1 3.43Å; V132-H175 HydrophobicContact CG2-CB 4.42Å; M150-H175 HydrophobicContact CB-CB 4.39Å; M150-H175 HydrophobicContact CE-CB 3.96Å; M150-H175 VanDerWaalsContact CE-ND1 3.34Å; M150-H175 WeakPolarHBondContact CE-ND1 3.33Å; M150-H175 VanDerWaalsContact O-CB 3.29Å; M150-H175 WeakPolarHBondContact O-CB 3.45Å; R171-H175 WeakPolarHBondContact O-CB 3.41Å; R171-H175 PolarHBondContact O-CD2 2.97Å; R171-H175 VanDerWaalsContact O-CG 3.23Å; R171-H175 PolarHBondContact O-N 2.95Å; L173-H175 PolarHBondContact O-N 2.98Å; H175-E178 PolarHBondContact O-N 3.35Å; H175-C179 VanDerWaalsContact O-CB 3.31Å; H175-C179 WeakPolarHBondContact O-CB 3.24Å; H175-C179 PolarHBondContact O-N 2.75Å; H175-C179 PolarHBondContact O-SG 2.8Å
176L97.8Very high96.3Very high4 Ų452.2 Ų52.22%0.02126%0.256CS..Hα-helixtrans-59.7-49.6174.3174.762.2000111.3A149 S172 L173 E178 C179 L180 V194 T214 R217 V219A149-L176 HydrophobicContact CB-CD1 3.68Å; S172-L176 VanDerWaalsContact O-CB 3.27Å; S172-L176 WeakPolarHBondContact O-CB 3.31Å; S172-L176 PolarHBondContact O-N 3.18Å; L173-L176 PolarHBondContact O-N 2.83Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 2.92Å; L176-C179 PolarHBondContact O-N 3.37Å; L176-L180 HydrophobicContact CD1-CD1 3.9Å; L176-L180 HydrophobicContact CD1-CG 4Å; L176-L180 HydrophobicContact CG-CD1 3.93Å; L176-L180 HydrophobicContact CG-CG 4.43Å; L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.42Å; L176-L180 PolarHBondContact O-N 3Å; L176-V194 HydrophobicContact CD1-CG1 4.33Å; L176-T214 HydrophobicContact CD2-CG2 4.01Å; L176-R217 HydrophobicContact CD2-CB 4.11Å; L176-R217 HydrophobicContact CD2-CG 3.98Å; L176-R217 HydrophobicContact CG-CG 4.43Å; L176-V219 HydrophobicContact CD1-CG1 3.95Å; L176-V219 HydrophobicContact CD2-CG1 4.26Å
177D98.1Very high96.1Very high57 Ų5753.9 Ų53.931%0.30527%0.269SS..Hα-helixtrans-61.5-41.7-179.4-69.6-22.9000110.8L173 A174 L180 L181 R217L173-D177 VanDerWaalsContact O-CG 3.32Å; L173-D177 PolarHBondContact O-N 2.92Å; A174-D177 PolarHBondContact O-N 3.38Å; D177-L180 PolarHBondContact O-N 2.9Å; D177-L181 WeakPolarHBondContact O-CG 3.43Å; D177-L181 PolarHBondContact O-N 3.39Å; D177-L181 VanDerWaalsContact O-N 3.13Å; D177-R217 WeakPolarHBondContact OD1-CG 3.22Å; D177-R217 IonicContact OD1-CZ 3.52Å; D177-R217 IonicContact OD1-NE 3.68Å; D177-R217 PolarHBondContact OD1-NE 2.93Å; D177-R217 IonicContact OD1-NH2 2.74Å; D177-R217 IonicContact OD2-CZ 2.63Å; D177-R217 IonicContact OD2-NE 3.75Å; D177-R217 IonicContact OD2-NH2 2.71Å; D177-R217 PolarHBondContact OD2-NH2 3.18Å
178E97.4Very high95.8Very high98 Ų9853.4 Ų53.446%0.45827%0.269SS..Hα-helixtrans-66.6-43175.3-164.8-178166.400112.4V132 A174 H175 L176 L180 L181 V182V132-E178 HydrophobicContact CB-CG 4.13Å; V132-E178 HydrophobicContact CG1-CB 4Å; V132-E178 HydrophobicContact CG1-CG 3.67Å; V132-E178 HydrophobicContact CG2-CB 4.28Å; V132-E178 HydrophobicContact CG2-CG 4.3Å; V132-E178 WeakPolarHBondContact CG2-OE2 3.11Å; A174-E178 PolarHBondContact O-N 2.8Å; A174-E178 VanDerWaalsContact O-N 3.07Å; H175-E178 PolarHBondContact O-N 3.35Å; L176-E178 VanDerWaalsContact C-N 3.32Å; L176-E178 PolarHBondContact O-N 2.92Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 2.85Å; E178-L181 PolarHBondContact O-N 3.4Å; E178-V182 WeakPolarHBondContact O-CG2 3.3Å; E178-V182 PolarHBondContact O-N 3.1Å; E178-V182 VanDerWaalsContact O-N 3.13Å
179C97.1Very high95.6Very high0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-60.6-42.8176.1-71.70000111.4M136 H175 L176 V182 H183M136-C179 HydrophobicContact SD-CB 3.88Å; H175-C179 VanDerWaalsContact O-CB 3.31Å; H175-C179 WeakPolarHBondContact O-CB 3.24Å; H175-C179 PolarHBondContact O-N 2.75Å; H175-C179 PolarHBondContact O-SG 2.8Å; L176-C179 PolarHBondContact O-N 3.37Å; C179-V182 PolarHBondContact O-N 3.13Å; C179-H183 WeakPolarHBondContact O-CB 3.26Å; C179-H183 PolarHBondContact O-N 3.35Å
180L97.1Very high95.2Very high13 Ų1358.6 Ų58.67%0.06830%0.297CS..Hα-helixtrans-64.8-38.7178.7-72.3171.3000112L176 D177 E178 H183 Q184 V194 R217 P218L176-L180 HydrophobicContact CD1-CD1 3.9Å; L176-L180 HydrophobicContact CD1-CG 4Å; L176-L180 HydrophobicContact CG-CD1 3.93Å; L176-L180 HydrophobicContact CG-CG 4.43Å; L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.42Å; L176-L180 PolarHBondContact O-N 3Å; D177-L180 PolarHBondContact O-N 2.9Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 2.85Å; L180-H183 PolarHBondContact O-N 2.91Å; L180-Q184 VanDerWaalsContact O-CG 3.29Å; L180-Q184 WeakPolarHBondContact O-CG 3.3Å; L180-Q184 PolarHBondContact O-N 2.87Å; L180-V194 HydrophobicContact CD2-CB 4.36Å; L180-V194 HydrophobicContact CD2-CG1 4.34Å; L180-V194 HydrophobicContact CD2-CG2 4.13Å; L180-R217 HydrophobicContact CD1-CB 3.89Å; L180-R217 HydrophobicContact CD1-CG 3.93Å; L180-P218 HydrophobicContact CD1-CG 4.44Å
181L96.8Very high94.8Very high100 Ų10056.6 Ų56.652%0.52430%0.296SS..Hα-helixtrans-63.4-40.4175.4-72.9172000112.4D177 E178 K185D177-L181 WeakPolarHBondContact O-CG 3.43Å; D177-L181 PolarHBondContact O-N 3.39Å; D177-L181 VanDerWaalsContact O-N 3.13Å; E178-L181 PolarHBondContact O-N 3.4Å; L181-K185 WeakPolarHBondContact O-CG 2.99Å
182V96.4Very high94.6Very high48 Ų4855.9 Ų55.929%0.29129%0.294SS..Hα-helixtrans-72.4-40.8176.2178.10000110.9M136 E178 C179 Q184 K185 S186M136-V182 HydrophobicContact CB-CB 4.4Å; M136-V182 HydrophobicContact CB-CG1 3.71Å; M136-V182 HydrophobicContact CE-CB 4.23Å; M136-V182 HydrophobicContact CE-CG1 4.1Å; M136-V182 HydrophobicContact CG-CB 4.01Å; M136-V182 HydrophobicContact CG-CG1 3.88Å; E178-V182 WeakPolarHBondContact O-CG2 3.3Å; E178-V182 PolarHBondContact O-N 3.1Å; E178-V182 VanDerWaalsContact O-N 3.13Å; C179-V182 PolarHBondContact O-N 3.13Å; V182-Q184 PolarHBondContact O-N 2.79Å; V182-K185 PolarHBondContact O-N 3.01Å; V182-K185 VanDerWaalsContact O-N 3.14Å; V182-S186 PolarHBondContact O-N 3.14Å; V182-S186 PolarHBondContact O-OG 3.15Å
183H95.3Very high94.5Very high31 Ų3155.9 Ų55.914%0.14430%0.295CS..Hα-helixtrans-56.3-50.1177.7178.398.5000111.4M136 Y147 C179 L180 K185 S186 L189 V192M136-H183 HydrophobicContact CE-CB 3.96Å; Y147-H183 AromaticContact CE1-ND1 3.63Å; Y147-H183 AromaticContact CZ-ND1 3.8Å; Y147-H183 PolarHBondContact OH-ND1 3.26Å; C179-H183 WeakPolarHBondContact O-CB 3.26Å; C179-H183 PolarHBondContact O-N 3.35Å; L180-H183 PolarHBondContact O-N 2.91Å; H183-K185 PolarHBondContact O-N 2.78Å; H183-K185 VanDerWaalsContact O-N 3.13Å; H183-S186 PolarHBondContact O-N 3.45Å; H183-L189 PolarHBondContact CE1-O 3.26Å; H183-V192 PolarHBondContact CE1-O 3.19Å; H183-V192 VanDerWaalsContact CE1-O 3.23Å
184Q94.2Very high94.4Very high136 Ų13655.4 Ų55.464%0.63629%0.292SS*.Hα-helixtrans-61.7-23.5179.4-72.6173.48.300114L180 V182L180-Q184 VanDerWaalsContact O-CG 3.29Å; L180-Q184 WeakPolarHBondContact O-CG 3.3Å; L180-Q184 PolarHBondContact O-N 2.87Å; V182-Q184 PolarHBondContact O-N 2.79Å
185K94.1Very high94.5Very high173 Ų17352.8 Ų52.875%0.75227%0.271SS*.Hα-helixtrans-92.2-9.3178.9-66.9175.3-175.6176.90113.2L181 V182 H183L181-K185 WeakPolarHBondContact O-CG 2.99Å; V182-K185 PolarHBondContact O-N 3.01Å; V182-K185 VanDerWaalsContact O-N 3.14Å; H183-K185 PolarHBondContact O-N 2.78Å; H183-K185 VanDerWaalsContact O-N 3.13Å
186S93Very high94.5Very high14 Ų1452.6 Ų52.610%0.09827%0.27CS..  trans-99.9117.3-173.6-57.60000110.2V182 H183 E188 L189V182-S186 PolarHBondContact O-N 3.14Å; V182-S186 PolarHBondContact O-OG 3.15Å; H183-S186 PolarHBondContact O-N 3.45Å; S186-E188 VanDerWaalsContact C-N 3.3Å; S186-E188 PolarHBondContact O-N 3.5Å; S186-L189 PolarHBondContact O-N 2.73Å
187Q90.6Very high94.5Very high178 Ų17852.7 Ų52.783%0.83227%0.271SS*.G310 helixtrans-70.1-30.5179.4-67.6-178.3-5.300111.8L189 D190Q187-L189 PolarHBondContact O-N 2.95Å; Q187-D190 WeakPolarHBondContact O-CB 3.32Å; Q187-D190 PolarHBondContact O-N 3.25Å
188E89.4Confident94.5Very high78 Ų7850 Ų5036%0.36426%0.256SS..G310 helixtrans-69.2-20.1-179.1-50.892.1146.300112.9R28 R140 S186R28-E188 PolarHBondContact NH2-O 3.34Å; R28-E188 VanDerWaalsContact NH2-O 3.1Å; R140-E188 HydrophobicContact CG-CB 4.49Å; R140-E188 IonicContact NH1-OE1 3.71Å; S186-E188 VanDerWaalsContact C-N 3.3Å; S186-E188 PolarHBondContact O-N 3.5Å
189L90.8Very high94.4Very high0 Ų045.3 Ų45.30%023%0.234CC..G310 helixtrans-100.85.4177.7-60.1179.5000112.6M136 Q139 R140 H183 S186 Q187 G191 V192M136-L189 HydrophobicContact CE-CD1 3.41Å; M136-L189 VanDerWaalsContact CE-CD1 3.41Å; Q139-L189 HydrophobicContact CB-CD2 4.37Å; R140-L189 HydrophobicContact CG-CD1 3.9Å; R140-L189 HydrophobicContact CG-CD2 4.31Å; R140-L189 HydrophobicContact CG-CG 3.88Å; H183-L189 PolarHBondContact CE1-O 3.26Å; S186-L189 PolarHBondContact O-N 2.73Å; Q187-L189 PolarHBondContact O-N 2.95Å; L189-G191 PolarHBondContact O-N 2.93Å; L189-V192 HydrophobicContact CB-CB 4.44Å; L189-V192 HydrophobicContact CB-CG2 4.38Å; L189-V192 HydrophobicContact CD2-CG2 4.2Å; L189-V192 VanDerWaalsContact O-CB 3.28Å; L189-V192 WeakPolarHBondContact O-CB 3.49Å; L189-V192 WeakPolarHBondContact O-CG2 3.17Å; L189-V192 PolarHBondContact O-N 3.45Å
190D89.2Confident94.1Very high110 Ų11045.3 Ų45.359%0.58823%0.234SC*.THydrogen-bonded Turntrans-60.7131.8174.6-167.930.5000110.2Q187 V192Q187-D190 WeakPolarHBondContact O-CB 3.32Å; Q187-D190 PolarHBondContact O-N 3.25Å; D190-V192 PolarHBondContact O-N 2.99Å
191G86.8Confident93.8Very high45 Ų4544.7 Ų44.746%0.46423%0.231SC..THydrogen-bonded Turntrans76-4.2-173.800000116.1L189L189-G191 PolarHBondContact O-N 2.93Å
192V92.8Very high93.5Very high7 Ų743.9 Ų43.94%0.04223%0.228CC..PPolyproline II helixtrans-76135.2174.5179.60000109.9P144 Y147 H183 L189 D190P144-V192 HydrophobicContact CG-CG1 4.49Å; P144-V192 VanDerWaalsContact O-CG1 3.32Å; P144-V192 WeakPolarHBondContact O-CG1 3.32Å; P144-V192 WeakPolarHBondContact O-CG2 3.47Å; Y147-V192 HydrophobicContact CD1-CG1 3.52Å; Y147-V192 HydrophobicContact CE1-CG1 3.8Å; H183-V192 PolarHBondContact CE1-O 3.19Å; H183-V192 VanDerWaalsContact CE1-O 3.23Å; L189-V192 HydrophobicContact CB-CB 4.44Å; L189-V192 HydrophobicContact CB-CG2 4.38Å; L189-V192 HydrophobicContact CD2-CG2 4.2Å; L189-V192 VanDerWaalsContact O-CB 3.28Å; L189-V192 WeakPolarHBondContact O-CB 3.49Å; L189-V192 WeakPolarHBondContact O-CG2 3.17Å; L189-V192 PolarHBondContact O-N 3.45Å; D190-V192 PolarHBondContact O-N 2.99Å
193S94.8Very high93.3Very high7 Ų742.8 Ų42.85%0.04922%0.22CC..EExtended strand (participates in β ladder)trans-95.3128.3-177.3-61.90000111.9S4 D145 W146 Y147S4-S193 PolarHBondContact OG-OG 3.38Å; D145-S193 PolarHBondContact O-N 3.43Å; W146-S193 VanDerWaalsContact CA-O 3.29Å; W146-S193 WeakPolarHBondContact CA-O 3.37Å; Y147-S193 PolarHBondContact N-O 3.16Å
194V96.9Very high93.3Very high6 Ų644.5 Ų44.54%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-93.3127.4178.9-168.60000109.9Y147 A149 L176 L180 V219 A220Y147-V194 HydrophobicContact CE1-CB 4.49Å; Y147-V194 HydrophobicContact CE1-CG2 3.71Å; Y147-V194 HydrophobicContact CE2-CG1 3.82Å; Y147-V194 HydrophobicContact CE2-CG2 4.29Å; Y147-V194 VanDerWaalsContact CZ-CG2 3.49Å; Y147-V194 VanDerWaalsContact OH-CG2 3.23Å; Y147-V194 WeakPolarHBondContact OH-CG2 3.35Å; A149-V194 HydrophobicContact CB-CG1 4.32Å; L176-V194 HydrophobicContact CD1-CG1 4.33Å; L180-V194 HydrophobicContact CD2-CB 4.36Å; L180-V194 HydrophobicContact CD2-CG1 4.34Å; L180-V194 HydrophobicContact CD2-CG2 4.13Å; V194-V219 WeakPolarHBondContact O-CB 3.41Å; V194-A220 PolarHBondContact O-N 3.08Å
195F98.1Very high93.4Very high0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-96.9118.1170.2-82.2-117.6000109.4M6 W146 Y147 A149 G221 P253 L255M6-F195 HydrophobicContact CE-CE2 4.38Å; M6-F195 HydrophobicContact CE-CZ 4.21Å; W146-F195 HydrophobicContact CB-CD2 4.23Å; W146-F195 HydrophobicContact CB-CE2 4Å; W146-F195 AromaticContact CD2-CE2 3.94Å; W146-F195 HydrophobicContact CD2-CE2 3.94Å; W146-F195 HydrophobicContact CD2-CZ 4.26Å; W146-F195 HydrophobicContact CE3-CE2 4.19Å; W146-F195 HydrophobicContact CE3-CZ 4.15Å; W146-F195 AromaticContact CG-CE2 3.85Å; W146-F195 HydrophobicContact CG-CE2 3.85Å; Y147-F195 PolarHBondContact O-N 3.17Å; A149-F195 WeakPolarHBondContact CB-O 3.28Å; A149-F195 PolarHBondContact N-O 3.46Å; F195-G221 WeakPolarHBondContact CA-O 3.4Å; F195-P253 HydrophobicContact CE1-CG 4.08Å; F195-P253 HydrophobicContact CZ-CG 3.94Å; F195-L255 HydrophobicContact CD1-CB 4.42Å; F195-L255 HydrophobicContact CE1-CB 4.32Å
196G98.1Very high93.5Very high0 Ų036.7 Ų36.70%020%0.196CC..EExtended strand (participates in β ladder)trans-76.7138.1175.900000110.6G221 F222 C223G196-G221 PolarHBondContact N-O 3.38Å; G196-F222 CarbonylContact O-C 3.58Å; G196-F222 VanDerWaalsContact O-CA 3.32Å; G196-F222 WeakPolarHBondContact O-CA 3.47Å; G196-C223 PolarHBondContact O-N 3.26Å
197V98Very high93.7Very high5 Ų536 Ų363%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-92.2135-179-172.40000110.2Q148 A149 A151 E199 T214 C223 D225Q148-V197 HydrophobicContact CG-CG2 3.52Å; A149-V197 VanDerWaalsContact O-CG2 3.3Å; A149-V197 WeakPolarHBondContact O-CG2 3.44Å; A151-V197 HydrophobicContact CB-CB 3.61Å; A151-V197 HydrophobicContact CB-CG1 3.69Å; A151-V197 HydrophobicContact CB-CG2 3.74Å; V197-E199 HydrophobicContact CG1-CG 4.27Å; V197-E199 WeakPolarHBondContact CG1-OE1 3.36Å; V197-T214 PolarHBondContact O-OG1 2.81Å; V197-C223 CarbonylContact C-O 3.55Å; V197-C223 WeakPolarHBondContact CA-O 3.46Å; V197-C223 HydrophobicContact CG2-CB 4.12Å; V197-D225 HydrophobicContact CG1-CB 3.69Å
198V97.8Very high94Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-102.7111172.3-178.30000108.3R207 A211 F222 C223 L224 D225 V244 L248V198-R207 PolarHBondContact O-NH1 3.28Å; V198-A211 HydrophobicContact CG1-CB 4.08Å; V198-A211 HydrophobicContact CG2-CB 4.49Å; V198-F222 HydrophobicContact CG2-CB 4.5Å; V198-F222 HydrophobicContact CG2-CD1 4.43Å; V198-C223 PolarHBondContact N-O 3.04Å; V198-L224 HydrophobicContact CB-CD2 3.96Å; V198-L224 HydrophobicContact CG2-CD2 4.09Å; V198-D225 PolarHBondContact O-N 3.34Å; V198-V244 HydrophobicContact CG1-CG1 3.94Å; V198-V244 HydrophobicContact CG1-CG2 4.48Å; V198-L248 HydrophobicContact CG2-CD2 4.39Å
199E95.3Very high94.4Very high0 Ų027.8 Ų27.80%016%0.159CC..  trans-98.9-166.7176.1-65.7-61.4171.600110.6A151 G153 V169 S172 V197 R207 S210A151-E199 WeakPolarHBondContact CB-OE1 3.45Å; G153-E199 VanDerWaalsContact CA-OE1 3.28Å; G153-E199 WeakPolarHBondContact CA-OE1 3.29Å; G153-E199 WeakPolarHBondContact CA-OE2 3.44Å; G153-E199 PolarHBondContact N-OE1 2.6Å; V169-E199 HydrophobicContact CG2-CB 4.22Å; S172-E199 WeakPolarHBondContact OG-CG 3.37Å; V197-E199 HydrophobicContact CG1-CG 4.27Å; V197-E199 WeakPolarHBondContact CG1-OE1 3.36Å; E199-R207 VanDerWaalsContact O-CD 3.28Å; E199-R207 WeakPolarHBondContact O-CD 3.42Å; E199-R207 PolarHBondContact O-NH1 3.03Å; E199-S210 PolarHBondContact N-OG 3.39Å; E199-S210 WeakPolarHBondContact O-CB 3.46Å
200G91.6Very high94.8Very high0 Ų027.8 Ų27.80%016%0.159CC..  trans123.68.3173.200000114.4V165 D202 I203V165-G200 WeakPolarHBondContact CG1-O 3.37Å; G200-D202 PolarHBondContact O-N 3.39Å; G200-I203 PolarHBondContact O-N 3.19Å; G200-I203 VanDerWaalsContact O-N 3.11Å
201G90.7Very high95.2Very high1 Ų122.5 Ų22.51%0.0113%0.131CC..THydrogen-bonded Turntrans53.1-134.5174.500000112.8T155 R207T155-G201 WeakPolarHBondContact OG1-CA 3.28Å; T155-G201 PolarHBondContact OG1-N 3.49Å; G201-R207 PolarHBondContact O-NE 3.34Å; G201-R207 PolarHBondContact O-NH2 2.7Å
202D90.3Very high95.8Very high83 Ų8326.1 Ų26.144%0.44413%0.13SC..THydrogen-bonded Turntrans-91.47.4176.664.7-19.8000113.7G200 M232 L236G200-D202 PolarHBondContact O-N 3.39Å; D202-M232 HydrophobicContact CB-CE 4.11Å; D202-L236 HydrophobicContact CB-CD2 4.49Å
203I92.4Very high96.1Very high24 Ų2428.3 Ų28.312%0.12314%0.14CC..  trans-101.9108.9-174.5-53.4-174.7000110.5R162 V165 G200 E205 E206 R207R162-I203 VanDerWaalsContact CA-CD1 3.5Å; R162-I203 HydrophobicContact CB-CD1 3.67Å; R162-I203 HydrophobicContact CG-CD1 3.71Å; V165-I203 HydrophobicContact CB-CD1 3.94Å; V165-I203 HydrophobicContact CG1-CB 4.28Å; V165-I203 HydrophobicContact CG1-CD1 4.14Å; V165-I203 HydrophobicContact CG1-CG1 4.28Å; V165-I203 HydrophobicContact CG2-CD1 3.87Å; V165-I203 HydrophobicContact CG2-CG1 4.29Å; G200-I203 PolarHBondContact O-N 3.19Å; G200-I203 VanDerWaalsContact O-N 3.11Å; I203-E205 VanDerWaalsContact C-N 3.35Å; I203-E205 PolarHBondContact O-N 3.14Å; I203-E206 HydrophobicContact CB-CB 4.23Å; I203-E206 HydrophobicContact CB-CG 4.13Å; I203-E206 HydrophobicContact CG2-CB 4.29Å; I203-E206 HydrophobicContact CG2-CG 3.83Å; I203-E206 PolarHBondContact O-N 3.36Å; I203-E206 VanDerWaalsContact O-N 3.13Å; I203-R207 WeakPolarHBondContact O-CG 3.45Å; I203-R207 PolarHBondContact O-N 3.25Å
204L94.8Very high96.2Very high68 Ų6828 Ų2836%0.35614%0.138SC..Hα-helixtrans-51.6-47.6-178.8178.362.5000113.5E206 R207 L208 L240 A243L204-E206 VanDerWaalsContact C-N 3.31Å; L204-E206 PolarHBondContact O-N 2.81Å; L204-R207 WeakPolarHBondContact O-CB 3.39Å; L204-R207 PolarHBondContact O-N 2.95Å; L204-L208 HydrophobicContact CD1-CD1 4.03Å; L204-L208 HydrophobicContact CD1-CD2 4.32Å; L204-L208 HydrophobicContact CD1-CG 3.99Å; L204-L208 HydrophobicContact CG-CD1 4.08Å; L204-L208 HydrophobicContact CG-CG 4.39Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.18Å; L204-L240 HydrophobicContact CB-CD2 3.8Å; L204-L240 HydrophobicContact CD1-CD2 3.81Å; L204-L240 HydrophobicContact CG-CD2 4.4Å; L204-A243 HydrophobicContact CD1-CB 3.58Å
205E96.4Very high96.3Very high125 Ų12529 Ų2958%0.58415%0.147SC*.Hα-helixtrans-60.1-41.4-178.7-67.2174.317600112.3R162 I203 C209R162-E205 IonicContact NH1-OE2 2.75Å; I203-E205 VanDerWaalsContact C-N 3.35Å; I203-E205 PolarHBondContact O-N 3.14Å; E205-C209 VanDerWaalsContact O-CB 3.3Å; E205-C209 WeakPolarHBondContact O-CB 3.44Å; E205-C209 PolarHBondContact O-N 3.42Å
206E96.4Very high96.3Very high19 Ų1935.9 Ų35.99%0.08918%0.176CC..Hα-helixtrans-73.7-35.3-179.7-60.8-64.2163.800111.1V165 V169 I203 L204 C209 S210V165-E206 HydrophobicContact CG1-CB 3.84Å; V165-E206 HydrophobicContact CG1-CG 4Å; V169-E206 HydrophobicContact CG2-CB 4.28Å; I203-E206 HydrophobicContact CB-CB 4.23Å; I203-E206 HydrophobicContact CB-CG 4.13Å; I203-E206 HydrophobicContact CG2-CB 4.29Å; I203-E206 HydrophobicContact CG2-CG 3.83Å; I203-E206 PolarHBondContact O-N 3.36Å; I203-E206 VanDerWaalsContact O-N 3.13Å; L204-E206 VanDerWaalsContact C-N 3.31Å; L204-E206 PolarHBondContact O-N 2.81Å; E206-C209 PolarHBondContact O-N 2.9Å; E206-S210 WeakPolarHBondContact O-CB 3.35Å; E206-S210 PolarHBondContact O-N 3.34Å
207R96.4Very high96.2Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-59.9-49.7171.4-77.9-80.4177.9-167.811.7112.2V198 E199 G201 I203 L204 S210 A211 D225 G226 F227 V244V198-R207 PolarHBondContact O-NH1 3.28Å; E199-R207 VanDerWaalsContact O-CD 3.28Å; E199-R207 WeakPolarHBondContact O-CD 3.42Å; E199-R207 PolarHBondContact O-NH1 3.03Å; G201-R207 PolarHBondContact O-NE 3.34Å; G201-R207 PolarHBondContact O-NH2 2.7Å; I203-R207 WeakPolarHBondContact O-CG 3.45Å; I203-R207 PolarHBondContact O-N 3.25Å; L204-R207 WeakPolarHBondContact O-CB 3.39Å; L204-R207 PolarHBondContact O-N 2.95Å; R207-S210 PolarHBondContact O-N 3.38Å; R207-A211 WeakPolarHBondContact O-CB 3.5Å; R207-A211 PolarHBondContact O-N 2.99Å; R207-D225 PolarHBondContact NH1-O 3.38Å; R207-D225 PolarHBondContact NH2-O 2.9Å; R207-G226 PolarHBondContact NH2-O 3.46Å; R207-G226 VanDerWaalsContact NH2-O 3.14Å; R207-F227 VanDerWaalsContact CZ-CE2 3.41Å; R207-F227 VanDerWaalsContact NH1-CE2 3.27Å; R207-V244 HydrophobicContact CB-CG2 3.75Å; R207-V244 HydrophobicContact CG-CG2 4.43Å
208L98.2Very high96.1Very high30 Ų3042.3 Ų42.316%0.15721%0.212CC..Hα-helixtrans-65.4-40177.9-63.1176.6000111.4L204 A211 R212 A243 E247L204-L208 HydrophobicContact CD1-CD1 4.03Å; L204-L208 HydrophobicContact CD1-CD2 4.32Å; L204-L208 HydrophobicContact CD1-CG 3.99Å; L204-L208 HydrophobicContact CG-CD1 4.08Å; L204-L208 HydrophobicContact CG-CG 4.39Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.18Å; L208-A211 PolarHBondContact O-N 2.86Å; L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 VanDerWaalsContact O-CG 3.25Å; L208-R212 WeakPolarHBondContact O-CG 3.35Å; L208-R212 PolarHBondContact O-N 2.85Å; L208-A243 HydrophobicContact CD2-CB 4.1Å; L208-A243 VanDerWaalsContact CD2-O 3.27Å; L208-A243 WeakPolarHBondContact CD2-O 3.45Å; L208-E247 HydrophobicContact CD2-CG 3.59Å
209C97.8Very high96.1Very high53 Ų5342.4 Ų42.436%0.35821%0.213SC..Hα-helixtrans-58.8-51.3173.8-174.80000110.9E205 E206 A211 R212 E213E205-C209 VanDerWaalsContact O-CB 3.3Å; E205-C209 WeakPolarHBondContact O-CB 3.44Å; E205-C209 PolarHBondContact O-N 3.42Å; E206-C209 PolarHBondContact O-N 2.9Å; C209-A211 PolarHBondContact O-N 3.39Å; C209-R212 PolarHBondContact O-N 3.3Å; C209-E213 WeakPolarHBondContact O-CB 3.37Å; C209-E213 WeakPolarHBondContact O-CG 3.13Å; C209-E213 PolarHBondContact O-N 2.82Å
210S98.3Very high96.1Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-59-45.9178.5-1730000111.7E199 E206 R207 E213 T214E199-S210 PolarHBondContact N-OG 3.39Å; E199-S210 WeakPolarHBondContact O-CB 3.46Å; E206-S210 WeakPolarHBondContact O-CB 3.35Å; E206-S210 PolarHBondContact O-N 3.34Å; R207-S210 PolarHBondContact O-N 3.38Å; S210-E213 PolarHBondContact O-N 2.78Å; S210-T214 VanDerWaalsContact O-CB 3.23Å; S210-T214 WeakPolarHBondContact O-CB 3.18Å; S210-T214 PolarHBondContact O-N 3.31Å; S210-T214 PolarHBondContact O-OG1 3.02Å
211A98.3Very high96.4Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-59.5-52.6178.400000112.2V198 R207 L208 C209 E213 T214 A215 V244 E247 L248V198-A211 HydrophobicContact CG1-CB 4.08Å; V198-A211 HydrophobicContact CG2-CB 4.49Å; R207-A211 WeakPolarHBondContact O-CB 3.5Å; R207-A211 PolarHBondContact O-N 2.99Å; L208-A211 PolarHBondContact O-N 2.86Å; C209-A211 PolarHBondContact O-N 3.39Å; A211-E213 PolarHBondContact O-N 3.35Å; A211-T214 PolarHBondContact O-N 2.92Å; A211-A215 VanDerWaalsContact O-CB 3.27Å; A211-A215 WeakPolarHBondContact O-CB 3.33Å; A211-A215 PolarHBondContact O-N 3.41Å; A211-V244 HydrophobicContact CB-CG1 4.02Å; A211-E247 HydrophobicContact CB-CB 4.1Å; A211-L248 HydrophobicContact CB-CD2 3.94Å; A211-L248 HydrophobicContact CB-CG 4.4Å
212R98.4Very high96.7Very high120 Ų12043.1 Ų43.145%0.45322%0.219SC..Hα-helixtrans-62.4-42.9-179.7-70.8171-178.2156.25.9112.2L208 C209 K216 E247L208-R212 WeakPolarHBondContact O-CB 3.49Å; L208-R212 VanDerWaalsContact O-CG 3.25Å; L208-R212 WeakPolarHBondContact O-CG 3.35Å; L208-R212 PolarHBondContact O-N 2.85Å; C209-R212 PolarHBondContact O-N 3.3Å; R212-K216 WeakPolarHBondContact O-CG 3.08Å; R212-K216 PolarHBondContact O-N 3.3Å; R212-E247 HydrophobicContact CG-CB 4.19Å; R212-E247 HydrophobicContact CG-CG 4.29Å; R212-E247 WeakPolarHBondContact CG-OE2 3.49Å; R212-E247 IonicContact CZ-OE1 2.98Å; R212-E247 IonicContact CZ-OE2 3.89Å; R212-E247 IonicContact NE-OE1 2.68Å; R212-E247 PolarHBondContact NE-OE1 2.89Å; R212-E247 IonicContact NE-OE2 3.73Å; R212-E247 PolarHBondContact NE-OE2 3.28Å; R212-E247 VanDerWaalsContact NH2-CD 3.33Å; R212-E247 IonicContact NH2-OE1 3.21Å; R212-E247 PolarHBondContact NH2-OE1 3.14Å; R212-E247 IonicContact NH2-OE2 2.75Å; R212-E247 PolarHBondContact NH2-OE2 2.84Å
213E98.4Very high97.1Very high53 Ų5339.2 Ų39.225%0.24820%0.198CC..Hα-helixtrans-69.3-45.9179.9-73.8-56.4133.500111.7L173 C209 S210 A211 A215 K216 R217L173-E213 HydrophobicContact CD1-CB 3.6Å; L173-E213 HydrophobicContact CD1-CG 4.04Å; L173-E213 HydrophobicContact CD2-CB 3.72Å; L173-E213 HydrophobicContact CG-CB 4.33Å; C209-E213 WeakPolarHBondContact O-CB 3.37Å; C209-E213 WeakPolarHBondContact O-CG 3.13Å; C209-E213 PolarHBondContact O-N 2.82Å; S210-E213 PolarHBondContact O-N 2.78Å; A211-E213 PolarHBondContact O-N 3.35Å; E213-A215 VanDerWaalsContact C-N 3.27Å; E213-A215 PolarHBondContact O-N 3.2Å; E213-K216 WeakPolarHBondContact O-CB 3.43Å; E213-K216 PolarHBondContact O-N 2.84Å; E213-K216 VanDerWaalsContact O-N 3.17Å; E213-K216 IonicContact OE1-NZ 3.65Å; E213-K216 PolarHBondContact OE1-NZ 3.43Å; E213-K216 IonicContact OE2-NZ 2.83Å; E213-R217 VanDerWaalsContact O-CD 3.23Å; E213-R217 WeakPolarHBondContact O-CD 3.34Å; E213-R217 PolarHBondContact O-NH1 3.11Å; E213-R217 IonicContact OE2-NH1 3.51Å; E213-R217 PolarHBondContact OE2-NH1 3.11Å
214T98.4Very high97.3Very high2 Ų238 Ų381%0.01219%0.192CC..Hα-helixtrans-61.7-37.7177-62.30000111L176 V197 S210 A211 K216 R217 F222L176-T214 HydrophobicContact CD2-CG2 4.01Å; V197-T214 PolarHBondContact O-OG1 2.81Å; S210-T214 VanDerWaalsContact O-CB 3.23Å; S210-T214 WeakPolarHBondContact O-CB 3.18Å; S210-T214 PolarHBondContact O-N 3.31Å; S210-T214 PolarHBondContact O-OG1 3.02Å; A211-T214 PolarHBondContact O-N 2.92Å; T214-K216 PolarHBondContact O-N 3.5Å; T214-R217 WeakPolarHBondContact O-CB 3.18Å; T214-R217 PolarHBondContact O-N 2.83Å; T214-F222 HydrophobicContact CG2-CD1 3.9Å; T214-F222 HydrophobicContact CG2-CE1 3.95Å
215A97.7Very high97.2Very high26 Ų2635.1 Ų35.122%0.21518%0.177CC..Hα-helixtrans-64.3-21.717800000114.6A211 E213 R217 F222 P249A211-A215 VanDerWaalsContact O-CB 3.27Å; A211-A215 WeakPolarHBondContact O-CB 3.33Å; A211-A215 PolarHBondContact O-N 3.41Å; E213-A215 VanDerWaalsContact C-N 3.27Å; E213-A215 PolarHBondContact O-N 3.2Å; A215-R217 PolarHBondContact O-N 2.93Å; A215-F222 HydrophobicContact CB-CE1 4.04Å; A215-F222 HydrophobicContact CB-CZ 3.88Å; A215-P249 HydrophobicContact CB-CG 4.32Å
216K97.9Very high96.8Very high144 Ų14429.1 Ų29.163%0.62615%0.149SC*.THydrogen-bonded Turntrans-72.3-16.7174.2-66.5168.9-173.3178.50113.2R212 E213 T214R212-K216 WeakPolarHBondContact O-CG 3.08Å; R212-K216 PolarHBondContact O-N 3.3Å; E213-K216 WeakPolarHBondContact O-CB 3.43Å; E213-K216 PolarHBondContact O-N 2.84Å; E213-K216 VanDerWaalsContact O-N 3.17Å; E213-K216 IonicContact OE1-NZ 3.65Å; E213-K216 PolarHBondContact OE1-NZ 3.43Å; E213-K216 IonicContact OE2-NZ 2.83Å; T214-K216 PolarHBondContact O-N 3.5Å
217R97.7Very high96.4Very high45 Ų4528.2 Ų28.217%0.1715%0.145CC..SBendtrans-88.4154.6-179.6-77.773.1175.2171.61.1110.7L176 D177 L180 E213 T214 A215 V219L176-R217 HydrophobicContact CD2-CB 4.11Å; L176-R217 HydrophobicContact CD2-CG 3.98Å; L176-R217 HydrophobicContact CG-CG 4.43Å; D177-R217 WeakPolarHBondContact OD1-CG 3.22Å; D177-R217 IonicContact OD1-CZ 3.52Å; D177-R217 IonicContact OD1-NE 3.68Å; D177-R217 PolarHBondContact OD1-NE 2.93Å; D177-R217 IonicContact OD1-NH2 2.74Å; D177-R217 IonicContact OD2-CZ 2.63Å; D177-R217 IonicContact OD2-NE 3.75Å; D177-R217 IonicContact OD2-NH2 2.71Å; D177-R217 PolarHBondContact OD2-NH2 3.18Å; L180-R217 HydrophobicContact CD1-CB 3.89Å; L180-R217 HydrophobicContact CD1-CG 3.93Å; E213-R217 VanDerWaalsContact O-CD 3.23Å; E213-R217 WeakPolarHBondContact O-CD 3.34Å; E213-R217 PolarHBondContact O-NH1 3.11Å; E213-R217 IonicContact OE2-NH1 3.51Å; E213-R217 PolarHBondContact OE2-NH1 3.11Å; T214-R217 WeakPolarHBondContact O-CB 3.18Å; T214-R217 PolarHBondContact O-N 2.83Å; A215-R217 PolarHBondContact O-N 2.93Å; R217-V219 HydrophobicContact CB-CG1 4.24Å; R217-V219 PolarHBondContact O-N 2.93Å
218P95.7Very high95.6Very high95 Ų9529.2 Ų29.262%0.61715%0.149SC*.  trans-76.156.2178.434.2-38.2000112.2L180L180-P218 HydrophobicContact CD1-CG 4.44Å
219V96.6Very high93.8Very high3 Ų328.7 Ų28.72%0.01815%0.147CC..  trans-87.1148.5173.6-62.20000110.4L176 V194 R217 F222 K252L176-V219 HydrophobicContact CD1-CG1 3.95Å; L176-V219 HydrophobicContact CD2-CG1 4.26Å; V194-V219 WeakPolarHBondContact O-CB 3.41Å; R217-V219 HydrophobicContact CB-CG1 4.24Å; R217-V219 PolarHBondContact O-N 2.93Å; V219-F222 HydrophobicContact CG2-CD1 4.2Å; V219-F222 HydrophobicContact CG2-CE1 3.62Å; V219-F222 HydrophobicContact CG2-CZ 3.98Å; V219-K252 WeakPolarHBondContact O-CE 3.15Å; V219-K252 PolarHBondContact O-NZ 2.56Å
220A95.8Very high92.1Very high16 Ų1627.2 Ų27.213%0.13214%0.141CC..SBendtrans-84.9-22.4-178.200000112.9M6 V194 P253M6-A220 HydrophobicContact CE-CB 4.11Å; M6-A220 WeakPolarHBondContact CE-O 3.49Å; V194-A220 PolarHBondContact O-N 3.08Å; A220-P253 WeakPolarHBondContact O-CD 3.23Å
221G97.2Very high90.5Very high0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans-162.9177.5-179.900000111F195 G196 P253F195-G221 WeakPolarHBondContact CA-O 3.4Å; G196-G221 PolarHBondContact N-O 3.38Å; G221-P253 WeakPolarHBondContact CA-O 3.22Å
222F98.4Very high89.6Confident0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-122.3137.1-178.1-57.2-81.9000111G196 V198 T214 A215 V219 L248 P249 K252 P253 L255G196-F222 CarbonylContact O-C 3.58Å; G196-F222 VanDerWaalsContact O-CA 3.32Å; G196-F222 WeakPolarHBondContact O-CA 3.47Å; V198-F222 HydrophobicContact CG2-CB 4.5Å; V198-F222 HydrophobicContact CG2-CD1 4.43Å; T214-F222 HydrophobicContact CG2-CD1 3.9Å; T214-F222 HydrophobicContact CG2-CE1 3.95Å; A215-F222 HydrophobicContact CB-CE1 4.04Å; A215-F222 HydrophobicContact CB-CZ 3.88Å; V219-F222 HydrophobicContact CG2-CD1 4.2Å; V219-F222 HydrophobicContact CG2-CE1 3.62Å; V219-F222 HydrophobicContact CG2-CZ 3.98Å; F222-L248 HydrophobicContact CB-CD1 3.87Å; F222-L248 HydrophobicContact CB-CD2 4.47Å; F222-L248 HydrophobicContact CD1-CD2 3.68Å; F222-L248 HydrophobicContact CD2-CB 4.28Å; F222-L248 HydrophobicContact CD2-CD1 4.1Å; F222-L248 HydrophobicContact CD2-CD2 3.94Å; F222-L248 HydrophobicContact CD2-CG 4.33Å; F222-L248 HydrophobicContact CE1-CD2 3.8Å; F222-L248 HydrophobicContact CE2-CB 4.37Å; F222-L248 HydrophobicContact CE2-CD2 4.05Å; F222-L248 HydrophobicContact CG-CD1 3.94Å; F222-L248 HydrophobicContact CG-CD2 3.75Å; F222-L248 HydrophobicContact CG-CG 4.36Å; F222-L248 HydrophobicContact CZ-CD2 3.98Å; F222-P249 HydrophobicContact CE2-CG 4.2Å; F222-P249 HydrophobicContact CZ-CG 4.21Å; F222-K252 HydrophobicContact CD2-CB 4.23Å; F222-K252 HydrophobicContact CE2-CB 3.88Å; F222-K252 HydrophobicContact CE2-CD 3.75Å; F222-K252 HydrophobicContact CE2-CG 4.43Å; F222-K252 HydrophobicContact CZ-CD 4.14Å; F222-P253 PolarHBondContact N-O 2.71Å; F222-L255 PolarHBondContact O-N 2.96Å
223C97.4Very high89Confident0 Ų028.8 Ų28.80%016%0.162CC..EExtended strand (participates in β ladder)trans-106.2117.7174.6-168.30000108.2Q148 G196 V197 V198 L255 Q257Q148-C223 HydrophobicContact CG-CB 4.42Å; G196-C223 PolarHBondContact O-N 3.26Å; V197-C223 CarbonylContact C-O 3.55Å; V197-C223 WeakPolarHBondContact CA-O 3.46Å; V197-C223 HydrophobicContact CG2-CB 4.12Å; V198-C223 PolarHBondContact N-O 3.04Å; C223-L255 CarbonylContact C-O 3.53Å; C223-L255 VanDerWaalsContact CA-O 3.32Å; C223-L255 WeakPolarHBondContact CA-O 3.03Å; C223-Q257 WeakPolarHBondContact SG-CG 3.47Å; C223-Q257 PolarHBondContact SG-OE1 3Å
224L96.6Very high88.3Confident0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-90.6105.4177.2-55.8-173.8000107.8V198 F227 I241 V244 T245 L248 L255 L256 Q257 V273V198-L224 HydrophobicContact CB-CD2 3.96Å; V198-L224 HydrophobicContact CG2-CD2 4.09Å; L224-F227 HydrophobicContact CB-CD2 3.97Å; L224-F227 HydrophobicContact CB-CE2 3.9Å; L224-I241 HydrophobicContact CD1-CG2 4.19Å; L224-V244 HydrophobicContact CD2-CG1 3.72Å; L224-T245 HydrophobicContact CD1-CG2 4.36Å; L224-L248 HydrophobicContact CD2-CD1 4.03Å; L224-L255 PolarHBondContact N-O 3.11Å; L224-L256 HydrophobicContact CB-CD1 3.69Å; L224-L256 HydrophobicContact CD1-CD1 4.43Å; L224-Q257 PolarHBondContact O-N 3.4Å; L224-Q257 VanDerWaalsContact O-N 3.09Å; L224-V273 HydrophobicContact CD1-CG2 3.99Å
225D93.1Very high87.9Confident6 Ų633 Ų333%0.03219%0.193CC..  trans-106.2162.8-179.3-164.57.5000111V197 V198 R207 F227V197-D225 HydrophobicContact CG1-CB 3.69Å; V198-D225 PolarHBondContact O-N 3.34Å; R207-D225 PolarHBondContact NH1-O 3.38Å; R207-D225 PolarHBondContact NH2-O 2.9Å; D225-F227 WeakPolarHBondContact O-CD2 3.24Å
226G87.9Confident87.5Confident0 Ų034.6 Ų34.60%020%0.198CC..SBendtrans76.123.3174.700000114.8R207 Q228R207-G226 PolarHBondContact NH2-O 3.46Å; R207-G226 VanDerWaalsContact NH2-O 3.14Å; G226-Q228 VanDerWaalsContact CA-OE1 3.25Å
227F87.4Confident87.3Confident0 Ų028 Ų280%017%0.169CC..  trans-109.46.8179.4-71.5-67.9000114R207 L224 D225 M232 R237 L240 I241 L256R207-F227 VanDerWaalsContact CZ-CE2 3.41Å; R207-F227 VanDerWaalsContact NH1-CE2 3.27Å; L224-F227 HydrophobicContact CB-CD2 3.97Å; L224-F227 HydrophobicContact CB-CE2 3.9Å; D225-F227 WeakPolarHBondContact O-CD2 3.24Å; F227-M232 HydrophobicContact CD1-CE 4.17Å; F227-M232 HydrophobicContact CD1-SD 4Å; F227-M232 HydrophobicContact CE1-CE 4.47Å; F227-M232 HydrophobicContact CE1-SD 4.41Å; F227-R237 HydrophobicContact CB-CG 4.13Å; F227-R237 HydrophobicContact CD1-CG 3.9Å; F227-R237 HydrophobicContact CG-CG 4.4Å; F227-R237 VanDerWaalsContact O-CD 3.23Å; F227-R237 WeakPolarHBondContact O-CD 3.27Å; F227-R237 PolarHBondContact O-NE 3.37Å; F227-L240 HydrophobicContact CE1-CB 3.72Å; F227-L240 HydrophobicContact CE1-CD1 4.35Å; F227-L240 HydrophobicContact CZ-CB 4.34Å; F227-I241 HydrophobicContact CD1-CD1 4.32Å; F227-I241 HydrophobicContact CD1-CG1 3.94Å; F227-I241 HydrophobicContact CD2-CG1 4.21Å; F227-I241 HydrophobicContact CE1-CG1 3.8Å; F227-I241 HydrophobicContact CE2-CG1 4.08Å; F227-I241 HydrophobicContact CG-CD1 4.24Å; F227-I241 HydrophobicContact CG-CG1 4.12Å; F227-I241 HydrophobicContact CZ-CG1 3.85Å; F227-L256 HydrophobicContact CB-CD1 3.95Å; F227-L256 HydrophobicContact CD2-CD1 3.83Å; F227-L256 HydrophobicContact CG-CD1 4.22Å
228Q80.9Confident87Confident20 Ų2027.4 Ų27.49%0.09317%0.172CC..  trans-56.5149.8-175.454.7-94.634.600114.3W156 G226 G230 A231W156-Q228 HydrophobicContact CB-CG 4.46Å; G226-Q228 VanDerWaalsContact CA-OE1 3.25Å; Q228-G230 PolarHBondContact O-N 3.01Å; Q228-A231 HydrophobicContact CG-CB 4.13Å; Q228-A231 WeakPolarHBondContact O-CB 3.42Å; Q228-A231 PolarHBondContact O-N 3.42Å; Q228-A231 VanDerWaalsContact O-N 3.13Å
229T60.9Low87Confident20 Ų2028.5 Ų28.512%0.12317%0.169CC..G310 helixtrans-50.6-47.7-169-48.80000115.4A231 R237 E264T229-A231 PolarHBondContact O-N 2.96Å; T229-R237 PolarHBondContact O-NH2 3.37Å; T229-E264 VanDerWaalsContact CB-OE1 3.28Å; T229-E264 WeakPolarHBondContact CB-OE1 3.37Å; T229-E264 WeakPolarHBondContact CG2-OE1 3.37Å; T229-E264 PolarHBondContact OG1-OE1 3.12Å; T229-E264 PolarHBondContact OG1-OE2 3.41Å
230G62.1Low86.9Confident21 Ų2128.5 Ų28.522%0.21617%0.169CC..G310 helixtrans-75.7-3.9-174.600000115.2Q228Q228-G230 PolarHBondContact O-N 3.01Å
231A64Low86.9Confident30 Ų3027.8 Ų27.825%0.24816%0.162CC..G310 helixtrans-103.5-23.1-173.800000114.2W156 Q228 T229W156-A231 HydrophobicContact CB-CB 3.58Å; W156-A231 HydrophobicContact CG-CB 4.37Å; W156-A231 WeakPolarHBondContact O-CB 3.44Å; Q228-A231 HydrophobicContact CG-CB 4.13Å; Q228-A231 WeakPolarHBondContact O-CB 3.42Å; Q228-A231 PolarHBondContact O-N 3.42Å; Q228-A231 VanDerWaalsContact O-N 3.13Å; T229-A231 PolarHBondContact O-N 2.96Å
232M78.8Confident86.9Confident19 Ų1928.1 Ų28.19%0.09417%0.165CC..SBendtrans-149.8136.5-164.8-170.5-179-6800111D202 F227 L236 R237 L240D202-M232 HydrophobicContact CB-CE 4.11Å; F227-M232 HydrophobicContact CD1-CE 4.17Å; F227-M232 HydrophobicContact CD1-SD 4Å; F227-M232 HydrophobicContact CE1-CE 4.47Å; F227-M232 HydrophobicContact CE1-SD 4.41Å; M232-L236 HydrophobicContact CG-CB 4.17Å; M232-L236 HydrophobicContact CG-CD2 3.89Å; M232-L236 HydrophobicContact CG-CG 3.98Å; M232-L236 HydrophobicContact SD-CD2 4.47Å; M232-L236 HydrophobicContact SD-CG 4.14Å; M232-R237 HydrophobicContact CG-CB 4.23Å; M232-R237 PolarHBondContact O-NH2 3.47Å; M232-R237 WeakPolarHBondContact SD-CA 3.32Å; M232-R237 HydrophobicContact SD-CB 3.78Å; M232-R237 HydrophobicContact SD-CG 4.23Å; M232-L240 HydrophobicContact CE-CD1 3.68Å; M232-L240 HydrophobicContact SD-CD1 3.7Å
233D85.2Confident86.8Confident105 Ų10529.1 Ų29.156%0.56117%0.173SC*.  trans-57144.6171.8173.568.2000111.8A235 L236 R237D233-A235 VanDerWaalsContact C-N 3.34Å; D233-A235 PolarHBondContact O-N 3.33Å; D233-A235 WeakPolarHBondContact OD2-CA 3.4Å; D233-A235 VanDerWaalsContact OD2-CB 3.24Å; D233-A235 WeakPolarHBondContact OD2-CB 3.42Å; D233-A235 PolarHBondContact OD2-N 3.31Å; D233-L236 HydrophobicContact CB-CB 4.26Å; D233-L236 PolarHBondContact O-N 3.18Å; D233-L236 PolarHBondContact OD2-N 3.18Å; D233-R237 WeakPolarHBondContact O-CB 3.38Å; D233-R237 PolarHBondContact O-N 3.04Å
234Q85.1Confident86.8Confident76 Ų7629.1 Ų29.136%0.35517%0.173SC..Hα-helixtrans-63.3-37.2-175.9-176.9177.7-6.600112.7S238Q234-S238 WeakPolarHBondContact O-CB 3.44Å; Q234-S238 PolarHBondContact O-N 2.98Å; Q234-S238 PolarHBondContact O-OG 2.76Å
235A88.8Confident86.7Confident68 Ų6829.4 Ų29.456%0.56218%0.175SC*.Hα-helixtrans-70.1-44.317900000110.5D233 R237 S238 Q239D233-A235 VanDerWaalsContact C-N 3.34Å; D233-A235 PolarHBondContact O-N 3.33Å; D233-A235 WeakPolarHBondContact OD2-CA 3.4Å; D233-A235 VanDerWaalsContact OD2-CB 3.24Å; D233-A235 WeakPolarHBondContact OD2-CB 3.42Å; D233-A235 PolarHBondContact OD2-N 3.31Å; A235-R237 VanDerWaalsContact C-N 3.34Å; A235-R237 PolarHBondContact O-N 2.85Å; A235-S238 PolarHBondContact O-N 3.35Å; A235-Q239 WeakPolarHBondContact O-CB 3.36Å; A235-Q239 PolarHBondContact O-N 3.06Å
236L90.9Very high86.8Confident59 Ų5935.2 Ų35.231%0.30920%0.202SC..Hα-helixtrans-59.8-44.8174.1179.459.7000111.5D202 M232 D233 S238 Q239 L240D202-L236 HydrophobicContact CB-CD2 4.49Å; M232-L236 HydrophobicContact CG-CB 4.17Å; M232-L236 HydrophobicContact CG-CD2 3.89Å; M232-L236 HydrophobicContact CG-CG 3.98Å; M232-L236 HydrophobicContact SD-CD2 4.47Å; M232-L236 HydrophobicContact SD-CG 4.14Å; D233-L236 HydrophobicContact CB-CB 4.26Å; D233-L236 PolarHBondContact O-N 3.18Å; D233-L236 PolarHBondContact OD2-N 3.18Å; L236-S238 PolarHBondContact O-N 3.02Å; L236-Q239 WeakPolarHBondContact O-CB 3.49Å; L236-Q239 PolarHBondContact O-N 3.33Å; L236-L240 HydrophobicContact CD1-CD1 4.07Å; L236-L240 HydrophobicContact CD1-CG 4Å; L236-L240 HydrophobicContact CG-CD1 4.05Å; L236-L240 HydrophobicContact CG-CG 4.36Å; L236-L240 WeakPolarHBondContact O-CB 3.35Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.22Å
237R92.4Very high87.2Confident5 Ų538.3 Ų38.32%0.01922%0.217CC..Hα-helixtrans-57.8-50.1177-171.7-171.7-49.1136.111111.8F227 T229 M232 D233 A235 Q239 L240 I241 E264F227-R237 HydrophobicContact CB-CG 4.13Å; F227-R237 HydrophobicContact CD1-CG 3.9Å; F227-R237 HydrophobicContact CG-CG 4.4Å; F227-R237 VanDerWaalsContact O-CD 3.23Å; F227-R237 WeakPolarHBondContact O-CD 3.27Å; F227-R237 PolarHBondContact O-NE 3.37Å; T229-R237 PolarHBondContact O-NH2 3.37Å; M232-R237 HydrophobicContact CG-CB 4.23Å; M232-R237 PolarHBondContact O-NH2 3.47Å; M232-R237 WeakPolarHBondContact SD-CA 3.32Å; M232-R237 HydrophobicContact SD-CB 3.78Å; M232-R237 HydrophobicContact SD-CG 4.23Å; D233-R237 WeakPolarHBondContact O-CB 3.38Å; D233-R237 PolarHBondContact O-N 3.04Å; A235-R237 VanDerWaalsContact C-N 3.34Å; A235-R237 PolarHBondContact O-N 2.85Å; R237-Q239 VanDerWaalsContact C-N 3.3Å; R237-Q239 PolarHBondContact O-N 3.44Å; R237-L240 PolarHBondContact O-N 3.05Å; R237-I241 HydrophobicContact CG-CD1 3.82Å; R237-I241 HydrophobicContact CG-CG1 4.44Å; R237-I241 WeakPolarHBondContact O-CB 3.38Å; R237-I241 VanDerWaalsContact O-CG1 3.3Å; R237-I241 WeakPolarHBondContact O-CG1 3.5Å; R237-I241 PolarHBondContact O-N 3.19Å; R237-E264 IonicContact CZ-OE1 2.79Å; R237-E264 IonicContact NH1-OE1 3.49Å; R237-E264 PolarHBondContact NH1-OE1 3.01Å; R237-E264 IonicContact NH2-OE1 3.46Å
238S92.9Very high87.7Confident32 Ų3238.6 Ų38.622%0.22422%0.218CC..Hα-helixtrans-62-40.4-179.9-54.20000111.3Q234 A235 L236 A242Q234-S238 WeakPolarHBondContact O-CB 3.44Å; Q234-S238 PolarHBondContact O-N 2.98Å; Q234-S238 PolarHBondContact O-OG 2.76Å; A235-S238 PolarHBondContact O-N 3.35Å; L236-S238 PolarHBondContact O-N 3.02Å; S238-A242 VanDerWaalsContact O-CB 3.27Å; S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 3.3Å
239Q94.7Very high88.4Confident119 Ų11939.7 Ų39.756%0.55623%0.227SC*.Hα-helixtrans-63.1-47.8175.5-178.3-175.63.800112.1A235 L236 R237 A242 A243A235-Q239 WeakPolarHBondContact O-CB 3.36Å; A235-Q239 PolarHBondContact O-N 3.06Å; L236-Q239 WeakPolarHBondContact O-CB 3.49Å; L236-Q239 PolarHBondContact O-N 3.33Å; R237-Q239 VanDerWaalsContact C-N 3.3Å; R237-Q239 PolarHBondContact O-N 3.44Å; Q239-A242 PolarHBondContact O-N 2.87Å; Q239-A243 WeakPolarHBondContact O-CB 3.49Å; Q239-A243 PolarHBondContact O-N 3.27Å
240L95.3Very high89.9Confident3 Ų345.2 Ų45.22%0.01625%0.251CS..Hα-helixtrans-66.9-42.8-179.4-71.4179.4000111.7L204 F227 M232 L236 R237 A243 V244L204-L240 HydrophobicContact CB-CD2 3.8Å; L204-L240 HydrophobicContact CD1-CD2 3.81Å; L204-L240 HydrophobicContact CG-CD2 4.4Å; F227-L240 HydrophobicContact CE1-CB 3.72Å; F227-L240 HydrophobicContact CE1-CD1 4.35Å; F227-L240 HydrophobicContact CZ-CB 4.34Å; M232-L240 HydrophobicContact CE-CD1 3.68Å; M232-L240 HydrophobicContact SD-CD1 3.7Å; L236-L240 HydrophobicContact CD1-CD1 4.07Å; L236-L240 HydrophobicContact CD1-CG 4Å; L236-L240 HydrophobicContact CG-CD1 4.05Å; L236-L240 HydrophobicContact CG-CG 4.36Å; L236-L240 WeakPolarHBondContact O-CB 3.35Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.22Å; R237-L240 PolarHBondContact O-N 3.05Å; L240-A243 PolarHBondContact O-N 3.36Å; L240-V244 WeakPolarHBondContact O-CB 3.43Å; L240-V244 VanDerWaalsContact O-CG2 3.29Å; L240-V244 WeakPolarHBondContact O-CG2 3.29Å; L240-V244 PolarHBondContact O-N 3.42Å
241I95.9Very high91.4Very high0 Ų049.5 Ų49.50%027%0.269CS..Hα-helixtrans-61-48.4175.9-68.8173.6000109.7L224 F227 R237 A243 V244 T245 L256 C268 A271 V273L224-I241 HydrophobicContact CD1-CG2 4.19Å; F227-I241 HydrophobicContact CD1-CD1 4.32Å; F227-I241 HydrophobicContact CD1-CG1 3.94Å; F227-I241 HydrophobicContact CD2-CG1 4.21Å; F227-I241 HydrophobicContact CE1-CG1 3.8Å; F227-I241 HydrophobicContact CE2-CG1 4.08Å; F227-I241 HydrophobicContact CG-CD1 4.24Å; F227-I241 HydrophobicContact CG-CG1 4.12Å; F227-I241 HydrophobicContact CZ-CG1 3.85Å; R237-I241 HydrophobicContact CG-CD1 3.82Å; R237-I241 HydrophobicContact CG-CG1 4.44Å; R237-I241 WeakPolarHBondContact O-CB 3.38Å; R237-I241 VanDerWaalsContact O-CG1 3.3Å; R237-I241 WeakPolarHBondContact O-CG1 3.5Å; R237-I241 PolarHBondContact O-N 3.19Å; I241-A243 VanDerWaalsContact C-N 3.32Å; I241-A243 PolarHBondContact O-N 3.27Å; I241-V244 PolarHBondContact O-N 3.19Å; I241-T245 HydrophobicContact CG2-CG2 4.02Å; I241-T245 VanDerWaalsContact O-CG2 3.3Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 2.99Å; I241-T245 PolarHBondContact O-OG1 3.19Å; I241-T245 VanDerWaalsContact O-OG1 3.08Å; I241-L256 HydrophobicContact CD1-CD1 4.08Å; I241-L256 HydrophobicContact CD1-CD2 4.14Å; I241-C268 HydrophobicContact CD1-CB 4.44Å; I241-A271 HydrophobicContact CB-CB 4.03Å; I241-A271 HydrophobicContact CG2-CB 3.56Å; I241-V273 HydrophobicContact CG2-CG2 3.59Å
242A95.8Very high92.9Very high8 Ų850.1 Ų50.17%0.06627%0.267CS..Hα-helixtrans-59.1-42.2178.900000112.3S238 Q239 T245 E246 A271S238-A242 VanDerWaalsContact O-CB 3.27Å; S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 3.3Å; Q239-A242 PolarHBondContact O-N 2.87Å; A242-T245 WeakPolarHBondContact CA-OG1 3.39Å; A242-T245 PolarHBondContact O-N 3.2Å; A242-T245 PolarHBondContact O-OG1 3.42Å; A242-T245 VanDerWaalsContact O-OG1 3.07Å; A242-E246 WeakPolarHBondContact O-CG 3.43Å; A242-E246 PolarHBondContact O-N 3.09Å; A242-A271 HydrophobicContact CB-CB 4.36Å
243A96.8Very high93.8Very high20 Ų2049.3 Ų49.317%0.16526%0.262CS..Hα-helixtrans-67.6-38177.600000112.3L204 L208 Q239 L240 I241L204-A243 HydrophobicContact CD1-CB 3.58Å; L208-A243 HydrophobicContact CD2-CB 4.1Å; L208-A243 VanDerWaalsContact CD2-O 3.27Å; L208-A243 WeakPolarHBondContact CD2-O 3.45Å; Q239-A243 WeakPolarHBondContact O-CB 3.49Å; Q239-A243 PolarHBondContact O-N 3.27Å; L240-A243 PolarHBondContact O-N 3.36Å; I241-A243 VanDerWaalsContact C-N 3.32Å; I241-A243 PolarHBondContact O-N 3.27Å
244V97.1Very high94.4Very high0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-66.8-45.4175.5165.40000111.1V198 R207 A211 L224 L240 I241 E246 E247 L248V198-V244 HydrophobicContact CG1-CG1 3.94Å; V198-V244 HydrophobicContact CG1-CG2 4.48Å; R207-V244 HydrophobicContact CB-CG2 3.75Å; R207-V244 HydrophobicContact CG-CG2 4.43Å; A211-V244 HydrophobicContact CB-CG1 4.02Å; L224-V244 HydrophobicContact CD2-CG1 3.72Å; L240-V244 WeakPolarHBondContact O-CB 3.43Å; L240-V244 VanDerWaalsContact O-CG2 3.29Å; L240-V244 WeakPolarHBondContact O-CG2 3.29Å; L240-V244 PolarHBondContact O-N 3.42Å; I241-V244 PolarHBondContact O-N 3.19Å; V244-E246 PolarHBondContact O-N 3.23Å; V244-E247 PolarHBondContact O-N 2.75Å; V244-L248 HydrophobicContact CG1-CD1 3.93Å; V244-L248 HydrophobicContact CG1-CG 4.31Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 2.98Å
245T95.4Very high95Very high7 Ų741.2 Ų41.24%0.04322%0.221CC..Hα-helixtrans-67.9-24.6-176.356.30000113L224 I241 A242 E247 L248 R254 A271L224-T245 HydrophobicContact CD1-CG2 4.36Å; I241-T245 HydrophobicContact CG2-CG2 4.02Å; I241-T245 VanDerWaalsContact O-CG2 3.3Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 2.99Å; I241-T245 PolarHBondContact O-OG1 3.19Å; I241-T245 VanDerWaalsContact O-OG1 3.08Å; A242-T245 WeakPolarHBondContact CA-OG1 3.39Å; A242-T245 PolarHBondContact O-N 3.2Å; A242-T245 PolarHBondContact O-OG1 3.42Å; A242-T245 VanDerWaalsContact O-OG1 3.07Å; T245-E247 VanDerWaalsContact C-N 3.3Å; T245-L248 PolarHBondContact O-N 3.47Å; T245-R254 PolarHBondContact O-NH2 2.76Å; T245-A271 PolarHBondContact OG1-O 3.3Å
246E94.9Very high95.3Very high127 Ų12738 Ų3859%0.59319%0.194SC*.Hα-helixtrans-67-27.8170.5-76173.4-167.900112.9R17 A242 V244R17-E246 IonicContact CZ-OE1 2.78Å; R17-E246 IonicContact NE-OE1 2.78Å; R17-E246 IonicContact NH2-OE1 3.4Å; R17-E246 PolarHBondContact NH2-OE1 2.75Å; A242-E246 WeakPolarHBondContact O-CG 3.43Å; A242-E246 PolarHBondContact O-N 3.09Å; V244-E246 PolarHBondContact O-N 3.23Å
247E96.8Very high95.3Very high66 Ų6635.5 Ų35.531%0.30818%0.181SC..Hα-helixtrans-87.7-13.1177.3-61.7-64.8163.700113.4L208 A211 R212 V244 T245L208-E247 HydrophobicContact CD2-CG 3.59Å; A211-E247 HydrophobicContact CB-CB 4.1Å; R212-E247 HydrophobicContact CG-CB 4.19Å; R212-E247 HydrophobicContact CG-CG 4.29Å; R212-E247 WeakPolarHBondContact CG-OE2 3.49Å; R212-E247 IonicContact CZ-OE1 2.98Å; R212-E247 IonicContact CZ-OE2 3.89Å; R212-E247 IonicContact NE-OE1 2.68Å; R212-E247 PolarHBondContact NE-OE1 2.89Å; R212-E247 IonicContact NE-OE2 3.73Å; R212-E247 PolarHBondContact NE-OE2 3.28Å; R212-E247 VanDerWaalsContact NH2-CD 3.33Å; R212-E247 IonicContact NH2-OE1 3.21Å; R212-E247 PolarHBondContact NH2-OE1 3.14Å; R212-E247 IonicContact NH2-OE2 2.75Å; R212-E247 PolarHBondContact NH2-OE2 2.84Å; V244-E247 PolarHBondContact O-N 2.75Å; T245-E247 VanDerWaalsContact C-N 3.3Å
248L96.8Very high95.2Very high6 Ų635.6 Ų35.63%0.03118%0.183CC..SBendtrans-93.4135.6-175.9-66.4179.5000111.6V198 A211 F222 L224 V244 T245 E250 R254V198-L248 HydrophobicContact CG2-CD2 4.39Å; A211-L248 HydrophobicContact CB-CD2 3.94Å; A211-L248 HydrophobicContact CB-CG 4.4Å; F222-L248 HydrophobicContact CB-CD1 3.87Å; F222-L248 HydrophobicContact CB-CD2 4.47Å; F222-L248 HydrophobicContact CD1-CD2 3.68Å; F222-L248 HydrophobicContact CD2-CB 4.28Å; F222-L248 HydrophobicContact CD2-CD1 4.1Å; F222-L248 HydrophobicContact CD2-CD2 3.94Å; F222-L248 HydrophobicContact CD2-CG 4.33Å; F222-L248 HydrophobicContact CE1-CD2 3.8Å; F222-L248 HydrophobicContact CE2-CB 4.37Å; F222-L248 HydrophobicContact CE2-CD2 4.05Å; F222-L248 HydrophobicContact CG-CD1 3.94Å; F222-L248 HydrophobicContact CG-CD2 3.75Å; F222-L248 HydrophobicContact CG-CG 4.36Å; F222-L248 HydrophobicContact CZ-CD2 3.98Å; L224-L248 HydrophobicContact CD2-CD1 4.03Å; V244-L248 HydrophobicContact CG1-CD1 3.93Å; V244-L248 HydrophobicContact CG1-CG 4.31Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 2.98Å; T245-L248 PolarHBondContact O-N 3.47Å; L248-E250 PolarHBondContact O-N 3.11Å; L248-R254 HydrophobicContact CD1-CG 4.24Å; L248-R254 PolarHBondContact O-NH2 2.93Å; L248-R254 VanDerWaalsContact O-NH2 3.13Å
249P95.4Very high95.1Very high42 Ų4234 Ų3427%0.27317%0.172SC..  trans-49.4132.7176-25.730.5000113A215 F222 D251 K252A215-P249 HydrophobicContact CB-CG 4.32Å; F222-P249 HydrophobicContact CE2-CG 4.2Å; F222-P249 HydrophobicContact CZ-CG 4.21Å; P249-D251 VanDerWaalsContact C-N 3.28Å; P249-D251 WeakPolarHBondContact CB-OD1 3.35Å; P249-D251 PolarHBondContact O-N 2.63Å; P249-K252 HydrophobicContact CB-CD 4.43Å; P249-K252 HydrophobicContact CB-CG 4.46Å; P249-K252 PolarHBondContact O-N 2.7Å
250E92.8Very high95Very high136 Ų13628.4 Ų28.464%0.63615%0.146SC*.THydrogen-bonded Turntrans-70.7-24.4-177.8-68.4-173.5177.100113R19 L248 K252R19-E250 VanDerWaalsContact CZ-O 3.27Å; R19-E250 VanDerWaalsContact NH1-CA 3.34Å; R19-E250 PolarHBondContact NH1-O 3.43Å; R19-E250 PolarHBondContact NH2-O 3.13Å; L248-E250 PolarHBondContact O-N 3.11Å; E250-K252 PolarHBondContact O-N 2.95Å
251D93.4Very high94.9Very high112 Ų11230.7 Ų30.760%0.59916%0.155SC*.THydrogen-bonded Turntrans-78.91.7-178.866.1-38.9000113.7L8 P249L8-D251 WeakPolarHBondContact CB-O 3.08Å; P249-D251 VanDerWaalsContact C-N 3.28Å; P249-D251 WeakPolarHBondContact CB-OD1 3.35Å; P249-D251 PolarHBondContact O-N 2.63Å
252K95.8Very high94.8Very high43 Ų4330.7 Ų30.719%0.18716%0.155CC..SBendtrans-121.1143.2-178.9-65.3-175.2-176.3-1770112R19 V219 F222 P249 E250R19-K252 PolarHBondContact NH2-O 3.04Å; R19-K252 VanDerWaalsContact NH2-O 3.07Å; V219-K252 WeakPolarHBondContact O-CE 3.15Å; V219-K252 PolarHBondContact O-NZ 2.56Å; F222-K252 HydrophobicContact CD2-CB 4.23Å; F222-K252 HydrophobicContact CE2-CB 3.88Å; F222-K252 HydrophobicContact CE2-CD 3.75Å; F222-K252 HydrophobicContact CE2-CG 4.43Å; F222-K252 HydrophobicContact CZ-CD 4.14Å; P249-K252 HydrophobicContact CB-CD 4.43Å; P249-K252 HydrophobicContact CB-CG 4.46Å; P249-K252 PolarHBondContact O-N 2.7Å; E250-K252 PolarHBondContact O-N 2.95Å
253P97Very high94.7Very high1 Ų130.9 Ų30.91%0.00616%0.155CC..  trans-72.5149.3178.928.6-33.7000112.8M6 L23 F195 A220 G221 F222 D274 L275M6-P253 HydrophobicContact CE-CG 3.5Å; M6-P253 VanDerWaalsContact CE-CG 3.5Å; M6-P253 HydrophobicContact SD-CG 4.34Å; L23-P253 HydrophobicContact CD1-CB 3.9Å; L23-P253 HydrophobicContact CD1-CG 4.25Å; L23-P253 HydrophobicContact CD2-CB 3.94Å; L23-P253 HydrophobicContact CD2-CG 3.87Å; L23-P253 HydrophobicContact CG-CB 4.45Å; F195-P253 HydrophobicContact CE1-CG 4.08Å; F195-P253 HydrophobicContact CZ-CG 3.94Å; A220-P253 WeakPolarHBondContact O-CD 3.23Å; G221-P253 WeakPolarHBondContact CA-O 3.22Å; F222-P253 PolarHBondContact N-O 2.71Å; P253-D274 WeakPolarHBondContact CA-OD2 3.33Å; P253-L275 HydrophobicContact CB-CD1 4.38Å
254R97.8Very high94.5Very high12 Ų1230 Ų305%0.04515%0.147CC..EExtended strand (participates in β ladder)trans-116.3110.7177.2-58.7142.6-175.4-166-5109.5T245 L248 G272 D274 L275T245-R254 PolarHBondContact O-NH2 2.76Å; L248-R254 HydrophobicContact CD1-CG 4.24Å; L248-R254 PolarHBondContact O-NH2 2.93Å; L248-R254 VanDerWaalsContact O-NH2 3.13Å; R254-G272 WeakPolarHBondContact CD-O 3.48Å; R254-G272 PolarHBondContact NH1-O 2.68Å; R254-D274 PolarHBondContact N-OD2 2.99Å; R254-D274 PolarHBondContact O-N 3.36Å; R254-L275 PolarHBondContact O-N 3.49Å
255L97.8Very high94.4Very high0 Ų030 Ų300%015%0.147CC..EExtended strand (participates in β ladder)trans-99.6129.5176.7-179.4143.7000110L40 Y99 F195 F222 C223 L224 Q257 L275L40-L255 HydrophobicContact CD1-CD1 3.56Å; L40-L255 HydrophobicContact CG-CD1 4.21Å; Y99-L255 HydrophobicContact CE1-CD1 4.14Å; Y99-L255 HydrophobicContact CE1-CD2 4.43Å; Y99-L255 HydrophobicContact CE2-CD1 4.34Å; F195-L255 HydrophobicContact CD1-CB 4.42Å; F195-L255 HydrophobicContact CE1-CB 4.32Å; F222-L255 PolarHBondContact O-N 2.96Å; C223-L255 CarbonylContact C-O 3.53Å; C223-L255 VanDerWaalsContact CA-O 3.32Å; C223-L255 WeakPolarHBondContact CA-O 3.03Å; L224-L255 PolarHBondContact N-O 3.11Å; L255-Q257 HydrophobicContact CD2-CG 3.69Å; L255-L275 CarbonylContact C-O 3.56Å; L255-L275 WeakPolarHBondContact CA-O 3.37Å; L255-L275 HydrophobicContact CB-CB 4.01Å; L255-L275 HydrophobicContact CD1-CB 4.11Å; L255-L275 HydrophobicContact CD1-CD1 4.45Å; L255-L275 HydrophobicContact CG-CB 4.13Å
256L96Very high94.4Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-104.9130.7177.2-178.468000110.5L224 F227 I241 V259 C268 V273 L275 F276L224-L256 HydrophobicContact CB-CD1 3.69Å; L224-L256 HydrophobicContact CD1-CD1 4.43Å; F227-L256 HydrophobicContact CB-CD1 3.95Å; F227-L256 HydrophobicContact CD2-CD1 3.83Å; F227-L256 HydrophobicContact CG-CD1 4.22Å; I241-L256 HydrophobicContact CD1-CD1 4.08Å; I241-L256 HydrophobicContact CD1-CD2 4.14Å; L256-V259 HydrophobicContact CD2-CB 3.65Å; L256-V259 HydrophobicContact CD2-CG1 4.05Å; L256-V259 HydrophobicContact CD2-CG2 3.78Å; L256-V259 HydrophobicContact CG-CB 4.09Å; L256-V259 HydrophobicContact CG-CG2 4.1Å; L256-C268 HydrophobicContact CD2-CB 3.69Å; L256-C268 WeakPolarHBondContact CD2-SG 3.29Å; L256-V273 HydrophobicContact CB-CG1 3.55Å; L256-V273 HydrophobicContact CB-CG2 4.39Å; L256-V273 HydrophobicContact CD2-CG1 4.42Å; L256-V273 HydrophobicContact CD2-CG2 4.37Å; L256-L275 PolarHBondContact N-O 3.08Å; L256-F276 HydrophobicContact CB-CD1 4.4Å; L256-F276 HydrophobicContact CB-CE1 4.43Å; L256-F276 HydrophobicContact CD2-CD1 4.23Å; L256-F276 HydrophobicContact CD2-CE1 3.75Å
257Q91.6Very high94.4Very high7 Ų724.4 Ų24.43%0.03312%0.123CC..  trans-99.9148.5178-64.1-167.8-63.300112.4Q148 C223 L224 L255 V259 E277Q148-Q257 VanDerWaalsContact CD-OE1 3.32Å; C223-Q257 WeakPolarHBondContact SG-CG 3.47Å; C223-Q257 PolarHBondContact SG-OE1 3Å; L224-Q257 PolarHBondContact O-N 3.4Å; L224-Q257 VanDerWaalsContact O-N 3.09Å; L255-Q257 HydrophobicContact CD2-CG 3.69Å; Q257-V259 PolarHBondContact O-N 3.47Å; Q257-E277 WeakPolarHBondContact CA-OE2 3.16Å; Q257-E277 PolarHBondContact NE2-OE1 3.05Å; Q257-E277 VanDerWaalsContact NE2-OE1 3.14Å
258G88.9Confident94.3Very high6 Ų621.3 Ų21.36%0.06211%0.109CC..SBendtrans70.414171.500000115.3E277G258-E277 PolarHBondContact N-OE2 3.33Å
259V91.8Very high94.3Very high0 Ų021.1 Ų21.10%011%0.107CC..  trans-124.6118.3174178.60000109.2L256 Q257 E264L256-V259 HydrophobicContact CD2-CB 3.65Å; L256-V259 HydrophobicContact CD2-CG1 4.05Å; L256-V259 HydrophobicContact CD2-CG2 3.78Å; L256-V259 HydrophobicContact CG-CB 4.09Å; L256-V259 HydrophobicContact CG-CG2 4.1Å; Q257-V259 PolarHBondContact O-N 3.47Å; V259-E264 HydrophobicContact CG1-CB 3.54Å
260G92.1Very high94.3Very high1 Ų121.7 Ų21.71%0.0111%0.106CC..  trans-139.7-11.5-178.100000114.8Y389G260-Y389 WeakPolarHBondContact CA-OH 3.47Å; G260-Y389 VanDerWaalsContact O-CE2 3.3Å; G260-Y389 WeakPolarHBondContact O-CE2 3.41Å; G260-Y389 VanDerWaalsContact O-CZ 3.31Å; G260-Y389 PolarHBondContact O-OH 3.38Å
261R93.1Very high94.4Very high50 Ų5015.4 Ų15.419%0.1898%0.078CC..  trans-69.9137.1-178.5-155.2175.665.7-159.7-1.2110.3D263 E264 V265 F280 D326 T331 F333R261-D263 VanDerWaalsContact C-N 3.35Å; R261-D263 WeakPolarHBondContact CB-OD1 3.46Å; R261-D263 WeakPolarHBondContact CD-OD1 3.36Å; R261-D263 WeakPolarHBondContact CG-OD1 3.28Å; R261-D263 IonicContact CZ-OD1 3.32Å; R261-D263 IonicContact CZ-OD2 2.78Å; R261-D263 IonicContact NE-OD1 3.78Å; R261-D263 PolarHBondContact NE-OD1 2.84Å; R261-D263 IonicContact NE-OD2 2.93Å; R261-D263 PolarHBondContact NE-OD2 3.16Å; R261-D263 IonicContact NH2-OD1 3.84Å; R261-D263 IonicContact NH2-OD2 3.96Å; R261-D263 PolarHBondContact NH2-OD2 2.82Å; R261-D263 PolarHBondContact O-N 3.11Å; R261-E264 HydrophobicContact CB-CB 4.45Å; R261-E264 HydrophobicContact CB-CG 4.02Å; R261-E264 WeakPolarHBondContact CB-OE2 3.28Å; R261-E264 IonicContact NH2-OE1 3.77Å; R261-E264 WeakPolarHBondContact O-CB 3.36Å; R261-E264 PolarHBondContact O-N 3.39Å; R261-V265 WeakPolarHBondContact O-CG2 3.06Å; R261-V265 PolarHBondContact O-N 3.08Å; R261-F280 HydrophobicContact CG-CE2 4.15Å; R261-F280 HydrophobicContact CG-CZ 4.14Å; R261-D326 IonicContact NH1-OD2 2.88Å; R261-T331 HydrophobicContact CG-CG2 4.43Å; R261-F333 HydrophobicContact CG-CD2 3.71Å; R261-F333 HydrophobicContact CG-CE2 3.6Å
262P94.6Very high94.5Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-56.3-39.5-169.6-29.935.2000115.8L266 F280 F293 F333 F392 V412P262-L266 VanDerWaalsContact O-CG 3.31Å; P262-L266 WeakPolarHBondContact O-CG 3.1Å; P262-L266 PolarHBondContact O-N 2.91Å; P262-L266 VanDerWaalsContact O-N 3.08Å; P262-F280 HydrophobicContact CG-CE1 4.11Å; P262-F293 HydrophobicContact CB-CD2 4.28Å; P262-F293 HydrophobicContact CB-CE1 4.43Å; P262-F293 HydrophobicContact CB-CE2 3.85Å; P262-F293 HydrophobicContact CB-CZ 3.94Å; P262-F293 HydrophobicContact CG-CD1 4.04Å; P262-F293 HydrophobicContact CG-CD2 4.31Å; P262-F293 HydrophobicContact CG-CE1 3.53Å; P262-F293 HydrophobicContact CG-CE2 3.83Å; P262-F293 HydrophobicContact CG-CG 4.4Å; P262-F293 HydrophobicContact CG-CZ 3.41Å; P262-F293 VanDerWaalsContact CG-CZ 3.41Å; P262-F333 HydrophobicContact CB-CD1 4.41Å; P262-F333 HydrophobicContact CB-CE1 4.43Å; P262-F333 HydrophobicContact CG-CB 4.43Å; P262-F333 HydrophobicContact CG-CD1 4.31Å; P262-F333 HydrophobicContact CG-CD2 4.4Å; P262-F333 HydrophobicContact CG-CG 4.12Å; P262-F392 HydrophobicContact CB-CE1 4.21Å; P262-F392 HydrophobicContact CB-CE2 4.46Å; P262-F392 HydrophobicContact CB-CZ 4.05Å; P262-V412 HydrophobicContact CB-CG1 3.82Å
263D92.6Very high94.5Very high12 Ų128 Ų86%0.0644%0.041CC..Hα-helixtrans-64.2-38.9175.555.8-39.5000113.1R261 A267 F333 L413R261-D263 VanDerWaalsContact C-N 3.35Å; R261-D263 WeakPolarHBondContact CB-OD1 3.46Å; R261-D263 WeakPolarHBondContact CD-OD1 3.36Å; R261-D263 WeakPolarHBondContact CG-OD1 3.28Å; R261-D263 IonicContact CZ-OD1 3.32Å; R261-D263 IonicContact CZ-OD2 2.78Å; R261-D263 IonicContact NE-OD1 3.78Å; R261-D263 PolarHBondContact NE-OD1 2.84Å; R261-D263 IonicContact NE-OD2 2.93Å; R261-D263 PolarHBondContact NE-OD2 3.16Å; R261-D263 IonicContact NH2-OD1 3.84Å; R261-D263 IonicContact NH2-OD2 3.96Å; R261-D263 PolarHBondContact NH2-OD2 2.82Å; R261-D263 PolarHBondContact O-N 3.11Å; D263-A267 PolarHBondContact O-N 3.23Å; D263-A267 VanDerWaalsContact O-N 3.17Å; D263-F333 HydrophobicContact CB-CE2 4.39Å; D263-F333 HydrophobicContact CB-CZ 3.76Å; D263-F333 VanDerWaalsContact OD1-CE2 3.23Å; D263-F333 WeakPolarHBondContact OD1-CE2 3.49Å; D263-F333 WeakPolarHBondContact OD1-CZ 3.32Å; D263-L413 HydrophobicContact CB-CD2 3.39Å
264E92.9Very high94.6Very high3 Ų38 Ų81%0.0144%0.04CC..Hα-helixtrans-74-40179.3-55.1-178.3121.200111.2T229 R237 V259 R261 L266 A267 C268T229-E264 VanDerWaalsContact CB-OE1 3.28Å; T229-E264 WeakPolarHBondContact CB-OE1 3.37Å; T229-E264 WeakPolarHBondContact CG2-OE1 3.37Å; T229-E264 PolarHBondContact OG1-OE1 3.12Å; T229-E264 PolarHBondContact OG1-OE2 3.41Å; R237-E264 IonicContact CZ-OE1 2.79Å; R237-E264 IonicContact NH1-OE1 3.49Å; R237-E264 PolarHBondContact NH1-OE1 3.01Å; R237-E264 IonicContact NH2-OE1 3.46Å; V259-E264 HydrophobicContact CG1-CB 3.54Å; R261-E264 HydrophobicContact CB-CB 4.45Å; R261-E264 HydrophobicContact CB-CG 4.02Å; R261-E264 WeakPolarHBondContact CB-OE2 3.28Å; R261-E264 IonicContact NH2-OE1 3.77Å; R261-E264 WeakPolarHBondContact O-CB 3.36Å; R261-E264 PolarHBondContact O-N 3.39Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-L266 PolarHBondContact O-N 3.47Å; E264-A267 PolarHBondContact O-N 3.27Å; E264-C268 WeakPolarHBondContact O-CB 3.34Å; E264-C268 PolarHBondContact O-N 3.21Å; E264-C268 PolarHBondContact O-SG 3.28Å
265V95.6Very high94.6Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-55.9-49172.8170.40000109.8R261 A267 C268 V269 F276 F392 F393R261-V265 WeakPolarHBondContact O-CG2 3.06Å; R261-V265 PolarHBondContact O-N 3.08Å; V265-A267 PolarHBondContact O-N 2.71Å; V265-C268 PolarHBondContact O-N 2.74Å; V265-V269 HydrophobicContact CG1-CG2 4.32Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.45Å; V265-V269 PolarHBondContact O-N 2.74Å; V265-F276 HydrophobicContact CB-CD1 4.47Å; V265-F276 HydrophobicContact CB-CE1 4.21Å; V265-F276 HydrophobicContact CB-CZ 4.49Å; V265-F276 HydrophobicContact CG1-CD1 4.33Å; V265-F276 HydrophobicContact CG1-CD2 4.28Å; V265-F276 HydrophobicContact CG1-CE1 4.1Å; V265-F276 HydrophobicContact CG1-CE2 4.08Å; V265-F276 HydrophobicContact CG1-CG 4.41Å; V265-F276 HydrophobicContact CG1-CZ 3.97Å; V265-F276 HydrophobicContact CG2-CD1 3.9Å; V265-F276 HydrophobicContact CG2-CE1 4.08Å; V265-F276 HydrophobicContact CG2-CG 4.42Å; V265-F392 HydrophobicContact CB-CE1 4.19Å; V265-F392 HydrophobicContact CB-CZ 4.37Å; V265-F392 HydrophobicContact CG1-CE1 3.87Å; V265-F392 HydrophobicContact CG1-CZ 4.13Å; V265-F393 HydrophobicContact CG1-CE1 3.84Å; V265-F393 HydrophobicContact CG1-CE2 4.3Å; V265-F393 HydrophobicContact CG1-CZ 3.52Å; V265-F393 HydrophobicContact CG2-CZ 4.35Å
266L95.3Very high94.5Very high2 Ų27.4 Ų7.41%0.014%0.038CC..Hα-helixtrans-58-48.2177.8-71.8172.1000112.1P262 E264 C268 V269 E270 F392 V396 M405 L408 R409 V412P262-L266 VanDerWaalsContact O-CG 3.31Å; P262-L266 WeakPolarHBondContact O-CG 3.1Å; P262-L266 PolarHBondContact O-N 2.91Å; P262-L266 VanDerWaalsContact O-N 3.08Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-L266 PolarHBondContact O-N 3.47Å; L266-C268 VanDerWaalsContact C-N 3.3Å; L266-C268 PolarHBondContact O-N 3.48Å; L266-V269 PolarHBondContact O-N 3.4Å; L266-E270 WeakPolarHBondContact O-CG 3.28Å; L266-E270 PolarHBondContact O-N 2.74Å; L266-F392 HydrophobicContact CD1-CE2 4.5Å; L266-F392 HydrophobicContact CD2-CE2 4.12Å; L266-F392 HydrophobicContact CD2-CZ 4.18Å; L266-F392 HydrophobicContact CG-CE2 4.22Å; L266-F392 HydrophobicContact CG-CZ 4.04Å; L266-V396 HydrophobicContact CD2-CG2 3.87Å; L266-M405 HydrophobicContact CD2-CE 3.86Å; L266-L408 HydrophobicContact CD2-CD2 3.95Å; L266-L408 HydrophobicContact CD2-CG 4.37Å; L266-R409 HydrophobicContact CD1-CB 4.42Å; L266-V412 HydrophobicContact CD1-CB 3.92Å; L266-V412 HydrophobicContact CD1-CG1 3.96Å; L266-V412 HydrophobicContact CD1-CG2 4.14Å
267A94.3Very high94.5Very high14 Ų147.4 Ų7.412%0.1164%0.038CC..Hα-helixtrans-62-37.1178.200000112.5D263 E264 V265 E270 A271D263-A267 PolarHBondContact O-N 3.23Å; D263-A267 VanDerWaalsContact O-N 3.17Å; E264-A267 PolarHBondContact O-N 3.27Å; V265-A267 PolarHBondContact O-N 2.71Å; A267-E270 PolarHBondContact O-N 2.98Å; A267-A271 PolarHBondContact O-N 2.9Å
268C95.4Very high94.6Very high1 Ų17.4 Ų7.41%0.0074%0.04CC..Hα-helixtrans-75.4-33.7178.9-65.10000112.6I241 L256 E264 V265 L266 E270 A271 G272 V273 F276I241-C268 HydrophobicContact CD1-CB 4.44Å; L256-C268 HydrophobicContact CD2-CB 3.69Å; L256-C268 WeakPolarHBondContact CD2-SG 3.29Å; E264-C268 WeakPolarHBondContact O-CB 3.34Å; E264-C268 PolarHBondContact O-N 3.21Å; E264-C268 PolarHBondContact O-SG 3.28Å; V265-C268 PolarHBondContact O-N 2.74Å; L266-C268 VanDerWaalsContact C-N 3.3Å; L266-C268 PolarHBondContact O-N 3.48Å; C268-E270 VanDerWaalsContact C-N 3.31Å; C268-A271 CarbonylContact O-C 3.55Å; C268-A271 PolarHBondContact O-N 2.84Å; C268-G272 PolarHBondContact O-N 3.25Å; C268-V273 HydrophobicContact CB-CB 4.33Å; C268-V273 HydrophobicContact CB-CG2 4.12Å; C268-V273 WeakPolarHBondContact O-CB 3.38Å; C268-V273 WeakPolarHBondContact O-CG2 3.47Å; C268-V273 PolarHBondContact O-N 3.12Å; C268-F276 HydrophobicContact CB-CE1 3.69Å; C268-F276 HydrophobicContact CB-CZ 3.73Å
269V96.3Very high94.9Very high1 Ų17.3 Ų7.31%0.0064%0.037CC..Hα-helixtrans-61.2-43.9169.6168.60000110P37 V265 L266 A271 G272 F276 V396 L400 M405P37-V269 HydrophobicContact CB-CG1 4.32Å; P37-V269 HydrophobicContact CB-CG2 3.78Å; P37-V269 HydrophobicContact CG-CG1 3.98Å; P37-V269 HydrophobicContact CG-CG2 4.15Å; V265-V269 HydrophobicContact CG1-CG2 4.32Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.45Å; V265-V269 PolarHBondContact O-N 2.74Å; L266-V269 PolarHBondContact O-N 3.4Å; V269-A271 PolarHBondContact O-N 3.46Å; V269-G272 PolarHBondContact O-N 3.34Å; V269-F276 HydrophobicContact CG2-CE2 3.6Å; V269-F276 HydrophobicContact CG2-CZ 3.77Å; V269-V396 HydrophobicContact CG1-CG1 4.24Å; V269-V396 HydrophobicContact CG2-CG1 4.48Å; V269-L400 HydrophobicContact CG1-CD1 4.15Å; V269-M405 HydrophobicContact CG1-CE 4.45Å
270E94.4Very high95.1Very high54 Ų547.6 Ų7.625%0.2524%0.039SC..Hα-helixtrans-62.9-28.8174.9-71.3173.617600112.8R17 L266 A267 C268 G272R17-E270 VanDerWaalsContact CB-O 3.32Å; R17-E270 WeakPolarHBondContact CB-O 3.49Å; L266-E270 WeakPolarHBondContact O-CG 3.28Å; L266-E270 PolarHBondContact O-N 2.74Å; A267-E270 PolarHBondContact O-N 2.98Å; C268-E270 VanDerWaalsContact C-N 3.31Å; E270-G272 VanDerWaalsContact C-N 3.29Å
271A95.1Very high95.2Very high4 Ų47.7 Ų7.73%0.0334%0.039CC..THydrogen-bonded Turntrans-82-0.4172.700000114.2I241 A242 T245 A267 C268 V269I241-A271 HydrophobicContact CB-CB 4.03Å; I241-A271 HydrophobicContact CG2-CB 3.56Å; A242-A271 HydrophobicContact CB-CB 4.36Å; T245-A271 PolarHBondContact OG1-O 3.3Å; A267-A271 PolarHBondContact O-N 2.9Å; C268-A271 CarbonylContact O-C 3.55Å; C268-A271 PolarHBondContact O-N 2.84Å; V269-A271 PolarHBondContact O-N 3.46Å
272G95.3Very high95.4Very high0 Ų06.4 Ų6.40%04%0.035CC..THydrogen-bonded Turntrans92.325.9172.600000115.8R17 R254 C268 V269 E270R17-G272 VanDerWaalsContact O-CA 3.26Å; R17-G272 WeakPolarHBondContact O-CA 3.46Å; R254-G272 WeakPolarHBondContact CD-O 3.48Å; R254-G272 PolarHBondContact NH1-O 2.68Å; C268-G272 PolarHBondContact O-N 3.25Å; V269-G272 PolarHBondContact O-N 3.34Å; E270-G272 VanDerWaalsContact C-N 3.29Å
273V97.3Very high95.4Very high1 Ų17.4 Ų7.41%0.0064%0.04CC..  trans-82139.9170.6176.70000110.8L224 I241 L256 C268 F276L224-V273 HydrophobicContact CD1-CG2 3.99Å; I241-V273 HydrophobicContact CG2-CG2 3.59Å; L256-V273 HydrophobicContact CB-CG1 3.55Å; L256-V273 HydrophobicContact CB-CG2 4.39Å; L256-V273 HydrophobicContact CD2-CG1 4.42Å; L256-V273 HydrophobicContact CD2-CG2 4.37Å; C268-V273 HydrophobicContact CB-CB 4.33Å; C268-V273 HydrophobicContact CB-CG2 4.12Å; C268-V273 WeakPolarHBondContact O-CB 3.38Å; C268-V273 WeakPolarHBondContact O-CG2 3.47Å; C268-V273 PolarHBondContact O-N 3.12Å; V273-F276 HydrophobicContact CB-CE2 4.32Å; V273-F276 HydrophobicContact CB-CZ 3.93Å; V273-F276 HydrophobicContact CG1-CD2 4.39Å; V273-F276 HydrophobicContact CG1-CE1 4.06Å; V273-F276 HydrophobicContact CG1-CE2 3.77Å; V273-F276 HydrophobicContact CG1-CZ 3.59Å
274D97.5Very high95.6Very high0 Ų06.8 Ų6.80%04%0.037CC..  trans-101.6-40.1-175.5-57.5-45.2000112.7R19 I36 P37 G38 P253 R254R19-D274 WeakPolarHBondContact CB-OD1 3.45Å; R19-D274 WeakPolarHBondContact CD-OD1 3.47Å; R19-D274 IonicContact CZ-OD1 3.03Å; R19-D274 IonicContact CZ-OD2 3.87Å; R19-D274 IonicContact NE-OD1 3.7Å; R19-D274 PolarHBondContact NE-OD1 2.81Å; R19-D274 IonicContact NE-OD2 2.65Å; R19-D274 PolarHBondContact NE-OD2 3Å; R19-D274 IonicContact NH2-OD1 3.82Å; R19-D274 IonicContact NH2-OD2 3.14Å; R19-D274 PolarHBondContact NH2-OD2 2.65Å; I36-D274 HydrophobicContact CB-CB 4.16Å; I36-D274 HydrophobicContact CD1-CB 4.03Å; I36-D274 WeakPolarHBondContact CD1-OD1 3.47Å; I36-D274 HydrophobicContact CG2-CB 4.05Å; P37-D274 CarbonylContact C-O 3.58Å; P37-D274 WeakPolarHBondContact CA-O 3.33Å; G38-D274 PolarHBondContact N-O 3.01Å; P253-D274 WeakPolarHBondContact CA-OD2 3.33Å; R254-D274 PolarHBondContact N-OD2 2.99Å; R254-D274 PolarHBondContact O-N 3.36Å
275L97.8Very high95.8Very high0 Ų06.9 Ų6.90%04%0.037CC..EExtended strand (participates in β ladder)trans-129144-171.2-63.5175.5000112.4L23 L34 I36 G38 W146 P253 R254 L255 L256L23-L275 HydrophobicContact CD1-CD1 3.87Å; L34-L275 HydrophobicContact CD2-CD1 4.31Å; L34-L275 HydrophobicContact CD2-CD2 3.48Å; L34-L275 VanDerWaalsContact CD2-CD2 3.48Å; L34-L275 HydrophobicContact CG-CD2 4.24Å; I36-L275 HydrophobicContact CG2-CD2 3.83Å; I36-L275 HydrophobicContact CG2-CG 4.35Å; G38-L275 CarbonylContact O-C 3.5Å; G38-L275 WeakPolarHBondContact O-CA 3.25Å; W146-L275 HydrophobicContact CH2-CD1 4.48Å; W146-L275 HydrophobicContact CZ3-CD1 4.19Å; P253-L275 HydrophobicContact CB-CD1 4.38Å; R254-L275 PolarHBondContact O-N 3.49Å; L255-L275 CarbonylContact C-O 3.56Å; L255-L275 WeakPolarHBondContact CA-O 3.37Å; L255-L275 HydrophobicContact CB-CB 4.01Å; L255-L275 HydrophobicContact CD1-CB 4.11Å; L255-L275 HydrophobicContact CD1-CD1 4.45Å; L255-L275 HydrophobicContact CG-CB 4.13Å; L256-L275 PolarHBondContact N-O 3.08Å
276F97.4Very high95.7Very high0 Ų012 Ų120%06%0.061CC..EExtended strand (participates in β ladder)trans-130158.3179.7-63.5-98.1000111.6G38 C39 L40 L256 V265 C268 V269 V273 F393G38-F276 PolarHBondContact O-N 3.05Å; C39-F276 CarbonylContact C-O 3.59Å; C39-F276 WeakPolarHBondContact CA-O 3.42Å; C39-F276 HydrophobicContact CB-CB 4.25Å; L40-F276 PolarHBondContact N-O 2.93Å; L256-F276 HydrophobicContact CB-CD1 4.4Å; L256-F276 HydrophobicContact CB-CE1 4.43Å; L256-F276 HydrophobicContact CD2-CD1 4.23Å; L256-F276 HydrophobicContact CD2-CE1 3.75Å; V265-F276 HydrophobicContact CB-CD1 4.47Å; V265-F276 HydrophobicContact CB-CE1 4.21Å; V265-F276 HydrophobicContact CB-CZ 4.49Å; V265-F276 HydrophobicContact CG1-CD1 4.33Å; V265-F276 HydrophobicContact CG1-CD2 4.28Å; V265-F276 HydrophobicContact CG1-CE1 4.1Å; V265-F276 HydrophobicContact CG1-CE2 4.08Å; V265-F276 HydrophobicContact CG1-CG 4.41Å; V265-F276 HydrophobicContact CG1-CZ 3.97Å; V265-F276 HydrophobicContact CG2-CD1 3.9Å; V265-F276 HydrophobicContact CG2-CE1 4.08Å; V265-F276 HydrophobicContact CG2-CG 4.42Å; C268-F276 HydrophobicContact CB-CE1 3.69Å; C268-F276 HydrophobicContact CB-CZ 3.73Å; V269-F276 HydrophobicContact CG2-CE2 3.6Å; V269-F276 HydrophobicContact CG2-CZ 3.77Å; V273-F276 HydrophobicContact CB-CE2 4.32Å; V273-F276 HydrophobicContact CB-CZ 3.93Å; V273-F276 HydrophobicContact CG1-CD2 4.39Å; V273-F276 HydrophobicContact CG1-CE1 4.06Å; V273-F276 HydrophobicContact CG1-CE2 3.77Å; V273-F276 HydrophobicContact CG1-CZ 3.59Å; F276-F393 HydrophobicContact CB-CE1 4.42Å; F276-F393 HydrophobicContact CB-CZ 3.87Å; F276-F393 AromaticContact CD2-CE1 3.6Å; F276-F393 HydrophobicContact CD2-CE1 3.6Å; F276-F393 AromaticContact CD2-CZ 3.78Å; F276-F393 HydrophobicContact CD2-CZ 3.78Å; F276-F393 HydrophobicContact CE2-CE1 4.2Å; F276-F393 HydrophobicContact CG-CE1 4.23Å; F276-F393 AromaticContact CG-CZ 3.93Å; F276-F393 HydrophobicContact CG-CZ 3.93Å
277E94.9Very high95.7Very high0 Ų013.9 Ų13.90%07%0.068CC..EExtended strand (participates in β ladder)trans-84.5140.9172.1-62.4176.1138.800110.9Q67 S105 Q257 G258 F279Q67-E277 PolarHBondContact NE2-OE1 3.17Å; S105-E277 VanDerWaalsContact CB-OE2 3.23Å; S105-E277 WeakPolarHBondContact CB-OE2 3.34Å; S105-E277 PolarHBondContact OG-OE1 3.47Å; S105-E277 PolarHBondContact OG-OE2 3.06Å; Q257-E277 WeakPolarHBondContact CA-OE2 3.16Å; Q257-E277 PolarHBondContact NE2-OE1 3.05Å; Q257-E277 VanDerWaalsContact NE2-OE1 3.14Å; G258-E277 PolarHBondContact N-OE2 3.33Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 HydrophobicContact CB-CD1 3.67Å; E277-F279 HydrophobicContact CB-CE1 4.08Å; E277-F279 PolarHBondContact O-N 3.32Å
278G94.4Very high95.7Very high6 Ų613.3 Ų13.36%0.0626%0.064CC..  trans-89.330.2-174.700000115.6L40 Y42 P281L40-G278 VanDerWaalsContact O-CA 3.3Å; L40-G278 WeakPolarHBondContact O-CA 3.42Å; L40-G278 PolarHBondContact O-N 2.81Å; Y42-G278 VanDerWaalsContact CB-C 3.45Å; Y42-G278 VanDerWaalsContact CB-O 3.22Å; Y42-G278 WeakPolarHBondContact CB-O 3.31Å; G278-P281 WeakPolarHBondContact O-CD 3.49Å
279F94.7Very high95.8Very high4 Ų413.4 Ų13.42%0.0187%0.065CC..  trans-81.5-21.7-17167.4-94.3000114.6Y42 A106 E277 F282 Q283Y42-F279 HydrophobicContact CD2-CB 3.56Å; Y42-F279 HydrophobicContact CE2-CB 3.74Å; Y42-F279 HydrophobicContact CG-CB 4.04Å; A106-F279 HydrophobicContact CB-CB 4.2Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 HydrophobicContact CB-CD1 3.67Å; E277-F279 HydrophobicContact CB-CE1 4.08Å; E277-F279 PolarHBondContact O-N 3.32Å; F279-F282 WeakPolarHBondContact O-CB 3.45Å; F279-F282 PolarHBondContact O-N 3.43Å; F279-F282 VanDerWaalsContact O-N 3.07Å; F279-Q283 HydrophobicContact CD2-CG 4.17Å; F279-Q283 PolarHBondContact O-N 2.85Å
280F95.3Very high95.8Very high7 Ų713.4 Ų13.43%0.0316%0.064CC..Hα-helixtrans-60.2-42-177.3-179.9-111.5000114.1R261 P262 F282 Q283 A284 L291 T331 E334 Y389R261-F280 HydrophobicContact CG-CE2 4.15Å; R261-F280 HydrophobicContact CG-CZ 4.14Å; P262-F280 HydrophobicContact CG-CE1 4.11Å; F280-F282 VanDerWaalsContact C-N 3.28Å; F280-F282 PolarHBondContact O-N 3.27Å; F280-Q283 PolarHBondContact O-N 3.42Å; F280-A284 PolarHBondContact O-N 3.38Å; F280-L291 HydrophobicContact CD1-CD1 4.47Å; F280-L291 HydrophobicContact CD1-CD2 4.12Å; F280-L291 HydrophobicContact CE1-CD1 4.48Å; F280-L291 HydrophobicContact CE1-CD2 3.43Å; F280-L291 VanDerWaalsContact CE1-CD2 3.43Å; F280-L291 HydrophobicContact CZ-CD2 4.03Å; F280-T331 HydrophobicContact CE2-CG2 4.19Å; F280-T331 HydrophobicContact CZ-CG2 4.38Å; F280-E334 WeakPolarHBondContact CE2-OE1 3.41Å; F280-E334 WeakPolarHBondContact CZ-OE1 3.5Å; F280-Y389 HydrophobicContact CB-CE2 4.41Å; F280-Y389 HydrophobicContact CD1-CD2 4.2Å; F280-Y389 AromaticContact CD1-CE2 3.86Å; F280-Y389 HydrophobicContact CD1-CE2 3.86Å
281P96.1Very high96Very high3 Ų310.8 Ų10.82%0.0195%0.052CC..Hα-helixtrans-53.8-40169.5-31.538.2000114.7G278 T285 L291 N385 Y389G278-P281 WeakPolarHBondContact O-CD 3.49Å; P281-T285 WeakPolarHBondContact O-CB 3.36Å; P281-T285 PolarHBondContact O-N 3.32Å; P281-T285 PolarHBondContact O-OG1 3.03Å; P281-L291 HydrophobicContact CG-CD1 4.36Å; P281-N385 HydrophobicContact CB-CB 3.89Å; P281-Y389 VanDerWaalsContact CG-CB 3.47Å; P281-Y389 HydrophobicContact CG-CD1 3.62Å; P281-Y389 HydrophobicContact CG-CD2 4.11Å; P281-Y389 HydrophobicContact CG-CE1 4.36Å; P281-Y389 HydrophobicContact CG-CG 3.48Å; P281-Y389 VanDerWaalsContact CG-CG 3.48Å
282F96.3Very high96Very high22 Ų2212.6 Ų12.610%0.0966%0.064CC..Hα-helixtrans-67.2-48177.1165.3-108.3000110.5Y42 H44 P49 A106 F279 F280 A284 T285 E286 M382Y42-F282 HydrophobicContact CD1-CB 3.8Å; Y42-F282 HydrophobicContact CD1-CD1 4.34Å; Y42-F282 HydrophobicContact CD1-CG 4.1Å; Y42-F282 HydrophobicContact CE1-CB 3.77Å; Y42-F282 AromaticContact CE1-CD1 3.45Å; Y42-F282 HydrophobicContact CE1-CD1 3.45Å; Y42-F282 VanDerWaalsContact CE1-CD1 3.45Å; Y42-F282 HydrophobicContact CE1-CD2 4.24Å; Y42-F282 HydrophobicContact CE1-CE1 4.08Å; Y42-F282 AromaticContact CE1-CG 3.54Å; Y42-F282 HydrophobicContact CE1-CG 3.54Å; Y42-F282 AromaticContact CZ-CD1 3.82Å; H44-F282 AromaticContact CE1-CZ 3.65Å; H44-F282 AromaticContact NE2-CE1 3.79Å; H44-F282 AromaticContact NE2-CZ 3.65Å; P49-F282 HydrophobicContact CB-CD2 3.64Å; P49-F282 HydrophobicContact CB-CE2 3.75Å; P49-F282 HydrophobicContact CG-CD2 3.6Å; P49-F282 HydrophobicContact CG-CE2 3.84Å; P49-F282 HydrophobicContact CG-CG 4.28Å; A106-F282 HydrophobicContact CB-CD1 3.83Å; A106-F282 HydrophobicContact CB-CE1 3.91Å; F279-F282 WeakPolarHBondContact O-CB 3.45Å; F279-F282 PolarHBondContact O-N 3.43Å; F279-F282 VanDerWaalsContact O-N 3.07Å; F280-F282 VanDerWaalsContact C-N 3.28Å; F280-F282 PolarHBondContact O-N 3.27Å; F282-A284 VanDerWaalsContact C-N 3.33Å; F282-A284 PolarHBondContact O-N 3.21Å; F282-T285 WeakPolarHBondContact O-CA 3.23Å; F282-T285 WeakPolarHBondContact O-CB 3.48Å; F282-T285 PolarHBondContact O-N 3.29Å; F282-E286 HydrophobicContact CD2-CG 3.89Å; F282-E286 HydrophobicContact CE1-CG 4.07Å; F282-E286 VanDerWaalsContact CE2-CD 3.49Å; F282-E286 HydrophobicContact CE2-CG 3.36Å; F282-E286 HydrophobicContact CG-CG 4.45Å; F282-E286 HydrophobicContact CZ-CG 3.46Å; F282-E286 VanDerWaalsContact CZ-CG 3.46Å; F282-E286 WeakPolarHBondContact O-CG 3.47Å; F282-E286 PolarHBondContact O-N 2.96Å; F282-M382 HydrophobicContact CB-CE 4.15Å; F282-M382 HydrophobicContact CB-SD 4.41Å
283Q94.9Very high95.9Very high21 Ų2113.2 Ų13.210%0.0987%0.067CC..Hα-helixtrans-56.9-43.8176.9-71.5-177.8-38.600112.6A106 F279 F280 T285 E286 R287A106-Q283 HydrophobicContact CB-CG 4.34Å; F279-Q283 HydrophobicContact CD2-CG 4.17Å; F279-Q283 PolarHBondContact O-N 2.85Å; F280-Q283 PolarHBondContact O-N 3.42Å; Q283-T285 VanDerWaalsContact C-N 3.32Å; Q283-T285 PolarHBondContact O-N 2.78Å; Q283-E286 PolarHBondContact O-N 3.08Å; Q283-R287 WeakPolarHBondContact O-CG 3.3Å; Q283-R287 PolarHBondContact O-N 3.46Å
284A95.7Very high95.7Very high0 Ų019.7 Ų19.70%09%0.091CC..Hα-helixtrans-62.4-40.8175.100000111.8F280 F282 R287 G288 C289 L291 E334F280-A284 PolarHBondContact O-N 3.38Å; F282-A284 VanDerWaalsContact C-N 3.33Å; F282-A284 PolarHBondContact O-N 3.21Å; A284-R287 PolarHBondContact O-N 2.89Å; A284-G288 PolarHBondContact O-N 3.45Å; A284-C289 CarbonylContact C-O 3.58Å; A284-C289 WeakPolarHBondContact O-CA 3.4Å; A284-C289 WeakPolarHBondContact O-CB 3.48Å; A284-C289 PolarHBondContact O-N 3.17Å; A284-L291 HydrophobicContact CB-CD2 4.02Å; A284-L291 HydrophobicContact CB-CG 4.4Å; A284-E334 HydrophobicContact CB-CG 4.05Å
285T96.9Very high95.4Very high5 Ų520.5 Ų20.53%0.03110%0.095CC..Hα-helixtrans-62.7-46.5177.6-58.20000112.1P281 F282 Q283 R287 G288 G378 L381 M382 N385P281-T285 WeakPolarHBondContact O-CB 3.36Å; P281-T285 PolarHBondContact O-N 3.32Å; P281-T285 PolarHBondContact O-OG1 3.03Å; F282-T285 WeakPolarHBondContact O-CA 3.23Å; F282-T285 WeakPolarHBondContact O-CB 3.48Å; F282-T285 PolarHBondContact O-N 3.29Å; Q283-T285 VanDerWaalsContact C-N 3.32Å; Q283-T285 PolarHBondContact O-N 2.78Å; T285-R287 PolarHBondContact O-N 3.28Å; T285-G288 WeakPolarHBondContact O-CA 3.36Å; T285-G288 PolarHBondContact O-N 2.88Å; T285-G378 WeakPolarHBondContact CG2-O 3.46Å; T285-L381 HydrophobicContact CG2-CB 3.8Å; T285-M382 HydrophobicContact CG2-CB 4.15Å; T285-N385 PolarHBondContact OG1-ND2 3.25Å
286E94.9Very high94.8Very high106 Ų10625.2 Ų25.250%0.49512%0.12SC..Hα-helixtrans-64.1-28178.9-66-57.7101.700112.4H50 F282 Q283 G288H50-E286 IonicContact CD2-OE1 3.71Å; H50-E286 IonicContact CE1-OE1 3.47Å; H50-E286 IonicContact NE2-OE1 3.36Å; H50-E286 PolarHBondContact NE2-OE1 3.47Å; F282-E286 HydrophobicContact CD2-CG 3.89Å; F282-E286 HydrophobicContact CE1-CG 4.07Å; F282-E286 VanDerWaalsContact CE2-CD 3.49Å; F282-E286 HydrophobicContact CE2-CG 3.36Å; F282-E286 HydrophobicContact CG-CG 4.45Å; F282-E286 HydrophobicContact CZ-CG 3.46Å; F282-E286 VanDerWaalsContact CZ-CG 3.46Å; F282-E286 WeakPolarHBondContact O-CG 3.47Å; F282-E286 PolarHBondContact O-N 2.96Å; Q283-E286 PolarHBondContact O-N 3.08Å; E286-G288 PolarHBondContact O-N 3.28Å
287R94.2Very high93.7Very high42 Ų4226.4 Ų26.416%0.15813%0.127CC..Hα-helixtrans-72-16.4170.9-70.8-172.4-75-91.37.2113.2Q283 A284 T285 C289 Q327 T328 E334 K338Q283-R287 WeakPolarHBondContact O-CG 3.3Å; Q283-R287 PolarHBondContact O-N 3.46Å; A284-R287 PolarHBondContact O-N 2.89Å; T285-R287 PolarHBondContact O-N 3.28Å; R287-C289 HydrophobicContact CB-CB 4.4Å; R287-Q327 PolarHBondContact NH1-O 3.44Å; R287-T328 WeakPolarHBondContact CD-O 3.35Å; R287-E334 IonicContact CZ-OE1 2.88Å; R287-E334 IonicContact CZ-OE2 3.98Å; R287-E334 IonicContact NE-OE2 3.91Å; R287-E334 PolarHBondContact NE-OE2 3.26Å; R287-E334 VanDerWaalsContact NH2-CD 3.3Å; R287-E334 IonicContact NH2-OE1 3.76Å; R287-E334 PolarHBondContact NH2-OE1 2.78Å; R287-E334 IonicContact NH2-OE2 3.53Å; R287-E334 PolarHBondContact NH2-OE2 3.41Å; R287-E334 VanDerWaalsContact NH2-OE2 3.15Å; R287-K338 PolarHBondContact O-NZ 3.3Å
288G95.3Very high92.2Very high3 Ų331.7 Ų31.73%0.03116%0.16CC..THydrogen-bonded Turntrans80.325.6-169.800000112.8A284 T285 E286 L337A284-G288 PolarHBondContact O-N 3.45Å; T285-G288 WeakPolarHBondContact O-CA 3.36Å; T285-G288 PolarHBondContact O-N 2.88Å; E286-G288 PolarHBondContact O-N 3.28Å; G288-L337 PolarHBondContact O-N 3.36Å
289C96.9Very high89.8Confident3 Ų336.2 Ų36.22%0.0219%0.188CC..EExtended strand (participates in β ladder)trans-107.3148.1-177-65.60000111.9A284 R287 E334 M335 N385A284-C289 CarbonylContact C-O 3.58Å; A284-C289 WeakPolarHBondContact O-CA 3.4Å; A284-C289 WeakPolarHBondContact O-CB 3.48Å; A284-C289 PolarHBondContact O-N 3.17Å; R287-C289 HydrophobicContact CB-CB 4.4Å; C289-E334 HydrophobicContact CB-CB 3.97Å; C289-E334 HydrophobicContact CB-CG 4.21Å; C289-M335 WeakPolarHBondContact CA-O 3.35Å; C289-N385 PolarHBondContact O-ND2 3.15Å
290A97.6Very high87.1Confident0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-105.7134.4170.600000110.8C292 E334 M335 L337 L349 L381 N385A290-C292 PolarHBondContact O-N 3.48Å; A290-E334 CarbonylContact O-C 3.55Å; A290-E334 WeakPolarHBondContact O-CA 3.38Å; A290-M335 HydrophobicContact CB-CE 4.13Å; A290-M335 PolarHBondContact N-O 3.46Å; A290-M335 PolarHBondContact O-N 3.09Å; A290-L337 HydrophobicContact CB-CD1 3.69Å; A290-L349 HydrophobicContact CB-CB 4.42Å; A290-L349 HydrophobicContact CB-CD1 3.92Å; A290-L349 HydrophobicContact CB-CD2 4.47Å; A290-L381 HydrophobicContact CB-CD2 3.95Å; A290-N385 WeakPolarHBondContact CA-OD1 3.34Å
291L97.1Very high84.4Confident0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-65.8128.9171-63.7179.9000109.8F280 P281 A284 F293 F333 E334 V350 H384 N385 H388 Y389F280-L291 HydrophobicContact CD1-CD1 4.47Å; F280-L291 HydrophobicContact CD1-CD2 4.12Å; F280-L291 HydrophobicContact CE1-CD1 4.48Å; F280-L291 HydrophobicContact CE1-CD2 3.43Å; F280-L291 VanDerWaalsContact CE1-CD2 3.43Å; F280-L291 HydrophobicContact CZ-CD2 4.03Å; P281-L291 HydrophobicContact CG-CD1 4.36Å; A284-L291 HydrophobicContact CB-CD2 4.02Å; A284-L291 HydrophobicContact CB-CG 4.4Å; L291-F293 HydrophobicContact CB-CD1 4.4Å; L291-F293 HydrophobicContact CB-CE1 4.19Å; L291-F293 HydrophobicContact CD1-CE1 4.33Å; L291-F293 HydrophobicContact CD2-CE1 4.38Å; L291-F333 WeakPolarHBondContact CA-O 3.47Å; L291-E334 HydrophobicContact CD2-CG 3.83Å; L291-V350 WeakPolarHBondContact O-CG2 3.36Å; L291-H384 PolarHBondContact O-NE2 3.32Å; L291-N385 HydrophobicContact CD1-CB 4.16Å; L291-N385 HydrophobicContact CG-CB 4.26Å; L291-N385 PolarHBondContact N-OD1 3.46Å; L291-H388 HydrophobicContact CB-CB 4.38Å; L291-Y389 HydrophobicContact CD1-CD2 4.24Å
292C94.8Very high81.7Confident42 Ų4253.6 Ų53.628%0.28428%0.282SS..  trans-138.48.3-173.867.90000114.5A290 F333 M335 V350A290-C292 PolarHBondContact O-N 3.48Å; C292-F333 PolarHBondContact N-O 3Å; C292-M335 HydrophobicContact CB-CB 4.32Å; C292-V350 HydrophobicContact CB-CG2 4.1Å
293F94.2Very high78.9Confident12 Ų1256.2 Ų56.25%0.05330%0.303CS..  trans-68.5144.3178.266.7-83.8000112.1P262 L291 F295 F333 H388 F392 V412P262-F293 HydrophobicContact CB-CD2 4.28Å; P262-F293 HydrophobicContact CB-CE1 4.43Å; P262-F293 HydrophobicContact CB-CE2 3.85Å; P262-F293 HydrophobicContact CB-CZ 3.94Å; P262-F293 HydrophobicContact CG-CD1 4.04Å; P262-F293 HydrophobicContact CG-CD2 4.31Å; P262-F293 HydrophobicContact CG-CE1 3.53Å; P262-F293 HydrophobicContact CG-CE2 3.83Å; P262-F293 HydrophobicContact CG-CG 4.4Å; P262-F293 HydrophobicContact CG-CZ 3.41Å; P262-F293 VanDerWaalsContact CG-CZ 3.41Å; L291-F293 HydrophobicContact CB-CD1 4.4Å; L291-F293 HydrophobicContact CB-CE1 4.19Å; L291-F293 HydrophobicContact CD1-CE1 4.33Å; L291-F293 HydrophobicContact CD2-CE1 4.38Å; F293-F295 HydrophobicContact CD2-CD1 4.04Å; F293-F295 AromaticContact CE2-CD1 3.68Å; F293-F295 HydrophobicContact CE2-CD1 3.68Å; F293-F295 HydrophobicContact CE2-CE1 4.43Å; F293-F295 HydrophobicContact CZ-CD1 4.33Å; F293-F333 HydrophobicContact CB-CB 4.1Å; F293-F333 HydrophobicContact CB-CD1 3.72Å; F293-F333 HydrophobicContact CB-CG 4.4Å; F293-F333 HydrophobicContact CD1-CB 3.74Å; F293-F333 HydrophobicContact CD1-CD1 4.4Å; F293-F333 HydrophobicContact CD1-CG 4.44Å; F293-F333 HydrophobicContact CG-CB 4.18Å; F293-F333 HydrophobicContact CG-CD1 4.04Å; F293-H388 AromaticContact CD1-NE2 3.91Å; F293-H388 AromaticContact CE1-CD2 3.68Å; F293-H388 AromaticContact CE1-NE2 3.93Å; F293-H388 PolarHBondContact O-CE1 3.4Å; F293-H388 PolarHBondContact O-NE2 2.97Å; F293-F392 HydrophobicContact CE2-CB 3.94Å; F293-F392 HydrophobicContact CE2-CD1 4.44Å; F293-F392 AromaticContact CE2-CD2 3.74Å; F293-F392 HydrophobicContact CE2-CD2 3.74Å; F293-F392 HydrophobicContact CE2-CE2 4.35Å; F293-F392 AromaticContact CE2-CG 3.78Å; F293-F392 HydrophobicContact CE2-CG 3.78Å; F293-F392 HydrophobicContact CZ-CB 3.91Å; F293-F392 HydrophobicContact CZ-CD1 4.29Å; F293-F392 HydrophobicContact CZ-CD2 4.35Å; F293-F392 AromaticContact CZ-CG 3.93Å; F293-F392 HydrophobicContact CZ-CG 3.93Å; F293-V412 HydrophobicContact CD2-CG1 4.1Å; F293-V412 HydrophobicContact CD2-CG2 4.3Å
294R92.6Very high76.1Confident138 Ų13859.6 Ų59.652%0.52133%0.334SS..  trans-86.3135.4-178.8-64.7-178.9177.9173.7-2.3110.7R411 V412 E418R294-R411 HydrophobicContact CB-CG 4.05Å; R294-R411 CarbonylContact O-C 3.53Å; R294-V412 WeakPolarHBondContact O-CA 3.39Å; R294-V412 WeakPolarHBondContact O-CG2 3.49Å; R294-V412 PolarHBondContact O-N 3.32Å; R294-E418 IonicContact NH1-OE1 3.37Å; R294-E418 PolarHBondContact NH1-OE1 3.39Å
295F91.7Very high73.1Confident17 Ų1766.1 Ų66.18%0.07537%0.374CS..  trans-135.68176.552.2-109.2000113.3F293 V297 H388 F392 A395 L408 V412F293-F295 HydrophobicContact CD2-CD1 4.04Å; F293-F295 AromaticContact CE2-CD1 3.68Å; F293-F295 HydrophobicContact CE2-CD1 3.68Å; F293-F295 HydrophobicContact CE2-CE1 4.43Å; F293-F295 HydrophobicContact CZ-CD1 4.33Å; F295-V297 WeakPolarHBondContact O-CG2 3.3Å; F295-V297 PolarHBondContact O-N 3Å; F295-H388 AromaticContact CD1-NE2 3.95Å; F295-H388 AromaticContact CE1-CD2 3.68Å; F295-H388 AromaticContact CE1-CE1 3.54Å; F295-H388 AromaticContact CE1-ND1 4Å; F295-H388 AromaticContact CE1-NE2 3.34Å; F295-H388 VanDerWaalsContact CE1-NE2 3.34Å; F295-H388 WeakPolarHBondContact CE1-NE2 3.23Å; F295-F392 HydrophobicContact CB-CD2 4.15Å; F295-F392 HydrophobicContact CD1-CB 3.78Å; F295-F392 HydrophobicContact CD1-CD2 4.48Å; F295-F392 HydrophobicContact CE1-CB 3.98Å; F295-F392 HydrophobicContact CG-CB 4.25Å; F295-F392 HydrophobicContact CG-CD2 4.49Å; F295-A395 HydrophobicContact CB-CB 4.29Å; F295-A395 HydrophobicContact CD2-CB 3.74Å; F295-A395 HydrophobicContact CG-CB 4.33Å; F295-L408 HydrophobicContact CB-CD1 3.8Å; F295-L408 VanDerWaalsContact O-CD1 3.25Å; F295-L408 WeakPolarHBondContact O-CD1 3.35Å; F295-V412 HydrophobicContact CB-CG2 4.08Å
296D85.3Confident70Confident98 Ų9869.9 Ų69.952%0.52441%0.406SS..  trans-72.6125.9179.3-54.7-53000110.8
297V74.3Confident67Low25 Ų2571.6 Ų71.615%0.15242%0.419CS..  trans-112.58.7-176.3-159.80000111.4F295 K404 L407 L408F295-V297 WeakPolarHBondContact O-CG2 3.3Å; F295-V297 PolarHBondContact O-N 3Å; V297-K404 HydrophobicContact CG1-CB 3.73Å; V297-K404 HydrophobicContact CG1-CD 3.8Å; V297-K404 HydrophobicContact CG1-CG 4.42Å; V297-L407 HydrophobicContact CG1-CB 4.14Å; V297-L407 HydrophobicContact CG1-CD2 3.56Å; V297-L407 HydrophobicContact CG1-CG 3.91Å; V297-L408 HydrophobicContact CG2-CB 3.91Å; V297-L408 HydrophobicContact CG2-CD1 3.69Å; V297-L408 HydrophobicContact CG2-CG 4.35Å
298T64Low63.9Low112 Ų11279.7 Ų79.769%0.68746%0.458SS*.  trans-61.9130.3176.545.60000109.6D300T298-D300 PolarHBondContact O-N 3.39Å; T298-D300 VanDerWaalsContact O-N 3.08Å
299P43.2Very low60.8Low101 Ų10181.9 Ų81.966%0.65648%0.481SS*.  trans-73.9100.4169.129.7-26.1000106.1P301P299-P301 VanDerWaalsContact O-CD 3.28Å; P299-P301 WeakPolarHBondContact O-CD 3.41Å
300D37.3Very low57.6Low94 Ų9492.6 Ų92.650%0.50352%0.521SS..  trans-88.2110.5167.7-153.1-20.9000107.5T298 E302 S303T298-D300 PolarHBondContact O-N 3.39Å; T298-D300 VanDerWaalsContact O-N 3.08Å; D300-E302 PolarHBondContact O-N 3.21Å; D300-E302 PolarHBondContact OD1-N 3.01Å; D300-S303 WeakPolarHBondContact CB-OG 3.45Å
301P40.1Very low54.5Low117 Ų117101 Ų10176%0.7656%0.56SS**SBendtrans-76.3-10176.3-4.723.7000111.9P299P299-P301 VanDerWaalsContact O-CD 3.28Å; P299-P301 WeakPolarHBondContact O-CD 3.41Å
302E37.5Very low51.1Low168 Ų168105.9 Ų105.979%0.78560%0.6SS**SBendtrans-118-11.7-169.8-68.7-171.7159.900114.5D300 A304D300-E302 PolarHBondContact O-N 3.21Å; D300-E302 PolarHBondContact OD1-N 3.01Å; E302-A304 VanDerWaalsContact C-N 3.29Å; E302-A304 PolarHBondContact O-N 2.91Å
303S39.4Very low47.9Very low77 Ų77109 Ų10954%0.53863%0.628SS.*G310 helixtrans-81.6-317677.20000114.4D300 V305D300-S303 WeakPolarHBondContact CB-OG 3.45Å; S303-V305 PolarHBondContact O-N 3.12Å
304A35.6Very low44.6Very low91 Ų91112.1 Ų112.175%0.75266%0.664SS**G310 helixtrans-74.95.5-179.200000114.4E302E302-A304 VanDerWaalsContact C-N 3.29Å; E302-A304 PolarHBondContact O-N 2.91Å
305V32.3Very low41.4Very low137 Ų137114.1 Ų114.183%0.8368%0.68SS**G310 helixtrans-124.913.7-174.4-159.10000113.3S303S303-V305 PolarHBondContact O-N 3.12Å
306A32.1Very low38.3Very low85 Ų85120.3 Ų120.370%0.70272%0.719SS**SBendtrans-143.648.1-176.400000114.8
307D32.5Very low35.6Very low142 Ų142123.6 Ų123.676%0.75973%0.731SS**  trans-156.448.9154.4-141.17.5000112.7G309D307-G309 VanDerWaalsContact C-N 3.31Å; D307-G309 PolarHBondContact O-N 2.92Å
308E29Very low33.4Very low212 Ų212128.2 Ų128.299%0.99176%0.762SS**  trans-77.289.4163.3-79.4-164.8165.500109.6
309G29.9Very low32.3Very low49 Ų49131.4 Ų131.451%0.50577%0.774SS.*  trans133.398151.900000113.9D307D307-G309 VanDerWaalsContact C-N 3.31Å; D307-G309 PolarHBondContact O-N 2.92Å
310R30.2Very low31.5Very low227 Ų227129.7 Ų129.786%0.85778%0.776SS**  -179.3128.8125.9-99.1156.3-162.6-156.55113.5
311H31.2Very low30.9Very low178 Ų178133 Ų13382%0.82479%0.793SS**  trans89.988.8157.4-55.9-56.4000119.3
312A26.8Very low30.8Very low101 Ų101135.6 Ų135.684%0.83580%0.8SS**  trans-78.6133.7139.400000110.2
313A26.7Very low30.4Very low107 Ų107134 Ų13488%0.88480%0.797SS**  trans153.9115.2142.800000110.1
314G26.1Very low30.3Very low79 Ų79135 Ų13581%0.81480%0.803SS**  trans174.9101.9171.400000110.8
315E25.3Very low30.3Very low180 Ų180135.2 Ų135.284%0.84179%0.791SS**  trans-64.1141.4-167.1-62.4170.8150.200114.2Q317E315-Q317 PolarHBondContact O-N 2.86Å
316T26.8Very low30.9Very low146 Ų146132.3 Ų132.390%0.89677%0.771SS**  trans-70.9117.1169.8-28.50000109.5
317Q28Very low31.7Very low168 Ų168131 Ų13179%0.78575%0.75SS**  trans-105.1146.7164.5-77.4-169.9-6.900111.1E315E315-Q317 PolarHBondContact O-N 2.86Å
318P28.5Very low32.7Very low122 Ų122128.4 Ų128.479%0.79274%0.74SS**  trans-85.4150.5-167.826.8-16.8000112.6G320P318-G320 PolarHBondContact O-N 2.87Å
319N40.1Very low34.5Very low178 Ų178124.7 Ų124.795%0.95272%0.722SS**  trans-46.7122.2171.6-75.8-14.2000112
320G25.4Very low36.8Very low66 Ų66127.1 Ų127.168%0.6872%0.721SS**  trans-138.2121.217200000111.1P318P318-G320 PolarHBondContact O-N 2.87Å
321D26.8Very low39.4Very low164 Ų164117.3 Ų117.388%0.87769%0.687SS**  trans52106.3158.5-57.5-22.9000120.6N323D321-N323 PolarHBondContact O-N 3.24Å
322L36.9Very low42.1Very low170 Ų170115.9 Ų115.989%0.8967%0.674SS**  trans-7099.7174.3-70.1150.6000111.5
323N29.1Very low45.3Very low136 Ų136111.2 Ų111.273%0.72764%0.635SS**  trans-98.6149160.1-103.1-15.3000110.1D321 D325D321-N323 PolarHBondContact O-N 3.24Å; N323-D325 PolarHBondContact O-N 3.47Å
324C36.8Very low48.5Very low98 Ų98106.6 Ų106.666%0.66260%0.595SS**THydrogen-bonded Turntrans-70.614.4-174.682.10000115.6
325D36.1Very low51.7Low95 Ų95103.3 Ų103.351%0.50856%0.559SS.*THydrogen-bonded Turntrans-100.27.3-177-92.9-15.1000114.2N323 Q327 T328N323-D325 PolarHBondContact O-N 3.47Å; D325-Q327 PolarHBondContact O-N 3.32Å; D325-T328 PolarHBondContact O-N 3.34Å; D325-T328 PolarHBondContact O-OG1 3.29Å
326D44.5Very low55Low75 Ų7597.1 Ų97.140%0.40153%0.532SS..THydrogen-bonded Turntrans-61.6-9.3-171.6-159.335.6000115.3R261 T328R261-D326 IonicContact NH1-OD2 2.88Å; D326-T328 VanDerWaalsContact C-N 3.34Å
327Q49.5Very low58.3Low57 Ų5790.2 Ų90.227%0.26649%0.489SS..THydrogen-bonded Turntrans-81.1-12.6173.7-64.1-173.63.200113.8R287 D325R287-Q327 PolarHBondContact NH1-O 3.44Å; D325-Q327 PolarHBondContact O-N 3.32Å
328T52.9Low61.4Low89 Ų8987.1 Ų87.155%0.54647%0.473SS..SBendtrans-94.5-13.1-17861.20000113.5R287 D325 D326R287-T328 WeakPolarHBondContact CD-O 3.35Å; D325-T328 PolarHBondContact O-N 3.34Å; D325-T328 PolarHBondContact O-OG1 3.29Å; D326-T328 VanDerWaalsContact C-N 3.34Å
329H66.7Low64.5Low133 Ų13384.6 Ų84.662%0.61645%0.453SS*.SBendtrans-87142.4179.2-96.2-96.8000112.3T331H329-T331 PolarHBondContact O-N 3.08Å
330M79.3Confident67Low100 Ų10084 Ų8449%0.49344%0.442SS..PPolyproline II helixtrans-58.2134.6172.9-174.6-170.271.800109.8E334 D336M330-E334 HydrophobicContact CG-CB 3.89Å; M330-D336 HydrophobicContact SD-CB 3.55Å; M330-D336 VanDerWaalsContact SD-CB 3.55Å
331T84.3Confident70.3Confident22 Ų2288.2 Ų88.214%0.13544%0.437CS..PPolyproline II helixtrans-97.9165.1179.671.20000111.5R261 F280 H329 F333 E334R261-T331 HydrophobicContact CG-CG2 4.43Å; F280-T331 HydrophobicContact CE2-CG2 4.19Å; F280-T331 HydrophobicContact CZ-CG2 4.38Å; H329-T331 PolarHBondContact O-N 3.08Å; T331-F333 PolarHBondContact O-N 2.8Å; T331-F333 VanDerWaalsContact O-N 3.09Å; T331-F333 PolarHBondContact OG1-N 3.38Å; T331-E334 WeakPolarHBondContact O-CB 3.24Å; T331-E334 PolarHBondContact O-N 2.97Å; T331-E334 VanDerWaalsContact O-N 3.13Å; T331-E334 PolarHBondContact OG1-OE1 2.61Å
332R88.4Confident73.5Confident148 Ų14880.7 Ų80.756%0.55840%0.396SS*.THydrogen-bonded Turntrans-63.5-11.7172.167.1175.2177.2171.7-2.7114.5L413R332-L413 PolarHBondContact NH1-O 3.05Å
333F92.8Very high76.3Confident3 Ų377.5 Ų77.51%0.01338%0.377CS..THydrogen-bonded Turntrans-86.1-4.7179.5-52.4-68.4000112R261 P262 D263 L291 C292 F293 T331 V412R261-F333 HydrophobicContact CG-CD2 3.71Å; R261-F333 HydrophobicContact CG-CE2 3.6Å; P262-F333 HydrophobicContact CB-CD1 4.41Å; P262-F333 HydrophobicContact CB-CE1 4.43Å; P262-F333 HydrophobicContact CG-CB 4.43Å; P262-F333 HydrophobicContact CG-CD1 4.31Å; P262-F333 HydrophobicContact CG-CD2 4.4Å; P262-F333 HydrophobicContact CG-CG 4.12Å; D263-F333 HydrophobicContact CB-CE2 4.39Å; D263-F333 HydrophobicContact CB-CZ 3.76Å; D263-F333 VanDerWaalsContact OD1-CE2 3.23Å; D263-F333 WeakPolarHBondContact OD1-CE2 3.49Å; D263-F333 WeakPolarHBondContact OD1-CZ 3.32Å; L291-F333 WeakPolarHBondContact CA-O 3.47Å; C292-F333 PolarHBondContact N-O 3Å; F293-F333 HydrophobicContact CB-CB 4.1Å; F293-F333 HydrophobicContact CB-CD1 3.72Å; F293-F333 HydrophobicContact CB-CG 4.4Å; F293-F333 HydrophobicContact CD1-CB 3.74Å; F293-F333 HydrophobicContact CD1-CD1 4.4Å; F293-F333 HydrophobicContact CD1-CG 4.44Å; F293-F333 HydrophobicContact CG-CB 4.18Å; F293-F333 HydrophobicContact CG-CD1 4.04Å; T331-F333 PolarHBondContact O-N 2.8Å; T331-F333 VanDerWaalsContact O-N 3.09Å; T331-F333 PolarHBondContact OG1-N 3.38Å; F333-V412 HydrophobicContact CE1-CG1 3.96Å; F333-V412 WeakPolarHBondContact CE1-O 3.21Å
334E94.1Very high79.5Confident10 Ų1076.7 Ų76.75%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-117.1148.9-171.9-72.4161.5-13800111.3F280 A284 R287 C289 A290 L291 M330 T331F280-E334 WeakPolarHBondContact CE2-OE1 3.41Å; F280-E334 WeakPolarHBondContact CZ-OE1 3.5Å; A284-E334 HydrophobicContact CB-CG 4.05Å; R287-E334 IonicContact CZ-OE1 2.88Å; R287-E334 IonicContact CZ-OE2 3.98Å; R287-E334 IonicContact NE-OE2 3.91Å; R287-E334 PolarHBondContact NE-OE2 3.26Å; R287-E334 VanDerWaalsContact NH2-CD 3.3Å; R287-E334 IonicContact NH2-OE1 3.76Å; R287-E334 PolarHBondContact NH2-OE1 2.78Å; R287-E334 IonicContact NH2-OE2 3.53Å; R287-E334 PolarHBondContact NH2-OE2 3.41Å; R287-E334 VanDerWaalsContact NH2-OE2 3.15Å; C289-E334 HydrophobicContact CB-CB 3.97Å; C289-E334 HydrophobicContact CB-CG 4.21Å; A290-E334 CarbonylContact O-C 3.55Å; A290-E334 WeakPolarHBondContact O-CA 3.38Å; L291-E334 HydrophobicContact CD2-CG 3.83Å; M330-E334 HydrophobicContact CG-CB 3.89Å; T331-E334 WeakPolarHBondContact O-CB 3.24Å; T331-E334 PolarHBondContact O-N 2.97Å; T331-E334 VanDerWaalsContact O-N 3.13Å; T331-E334 PolarHBondContact OG1-OE1 2.61Å
335M94.1Very high82.3Confident9 Ų973 Ų734%0.04435%0.346CS..EExtended strand (participates in β ladder)trans-114.5113169.2173.9178.262.500108.4C289 A290 C292 L337 H342 L349 R363C289-M335 WeakPolarHBondContact CA-O 3.35Å; A290-M335 HydrophobicContact CB-CE 4.13Å; A290-M335 PolarHBondContact N-O 3.46Å; A290-M335 PolarHBondContact O-N 3.09Å; C292-M335 HydrophobicContact CB-CB 4.32Å; M335-L337 HydrophobicContact CE-CD1 4.41Å; M335-L337 HydrophobicContact CE-CD2 3.84Å; M335-L337 HydrophobicContact CE-CG 4.13Å; M335-L337 PolarHBondContact O-N 3.48Å; M335-H342 VanDerWaalsContact CG-NE2 3.34Å; M335-H342 WeakPolarHBondContact CG-NE2 3.49Å; M335-H342 PolarHBondContact SD-CE1 2.71Å; M335-L349 HydrophobicContact CE-CB 4.41Å; M335-L349 HydrophobicContact CE-CD2 4.14Å; M335-R363 HydrophobicContact CE-CG 4.03Å
336D95.1Very high85.2Confident51 Ų5174.5 Ų74.527%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-68.5116.8169.9-176.12000109.8M330 K338 H342M330-D336 HydrophobicContact SD-CB 3.55Å; M330-D336 VanDerWaalsContact SD-CB 3.55Å; D336-K338 VanDerWaalsContact OD1-CB 3.28Å; D336-K338 WeakPolarHBondContact OD1-CB 3.44Å; D336-K338 PolarHBondContact OD1-N 3Å; D336-H342 PolarHBondContact O-CD2 3.05Å; D336-H342 PolarHBondContact O-NE2 3.48Å
337L94.3Very high87.6Confident0 Ų077.1 Ų77.10%035%0.353CS..SBendtrans-89.5-5180-77.2156.4000112.8G288 A290 M335 D339 H342 L349 R363 V366 H367 L370 L381G288-L337 PolarHBondContact O-N 3.36Å; A290-L337 HydrophobicContact CB-CD1 3.69Å; M335-L337 HydrophobicContact CE-CD1 4.41Å; M335-L337 HydrophobicContact CE-CD2 3.84Å; M335-L337 HydrophobicContact CE-CG 4.13Å; M335-L337 PolarHBondContact O-N 3.48Å; L337-D339 VanDerWaalsContact C-N 3.28Å; L337-H342 HydrophobicContact CD2-CB 4.35Å; L337-L349 HydrophobicContact CD1-CD2 3.71Å; L337-L349 HydrophobicContact CD2-CD2 3.95Å; L337-L349 HydrophobicContact CG-CD2 4.46Å; L337-R363 HydrophobicContact CD2-CB 3.88Å; L337-R363 HydrophobicContact CD2-CG 4.07Å; L337-V366 HydrophobicContact CD1-CB 4.33Å; L337-V366 HydrophobicContact CD1-CG1 3.82Å; L337-H367 WeakPolarHBondContact O-CA 3.37Å; L337-H367 WeakPolarHBondContact O-CB 3.28Å; L337-H367 PolarHBondContact O-ND1 3.41Å; L337-L370 HydrophobicContact CB-CD1 3.49Å; L337-L370 VanDerWaalsContact CB-CD1 3.49Å; L337-L381 HydrophobicContact CD1-CD2 3.55Å
338K93.3Very high89.9Confident104 Ų10475.6 Ų75.645%0.45235%0.348SS..SBendtrans-77.2-17.7170.2-63.1171.2178.1157.80112.2R287 D336 H367 L370R287-K338 PolarHBondContact O-NZ 3.3Å; D336-K338 VanDerWaalsContact OD1-CB 3.28Å; D336-K338 WeakPolarHBondContact OD1-CB 3.44Å; D336-K338 PolarHBondContact OD1-N 3Å; K338-H367 PolarHBondContact O-CE1 2.79Å; K338-L370 HydrophobicContact CG-CB 4.21Å; K338-L370 HydrophobicContact CG-CD1 4.18Å
339D93.7Very high91.9Very high68 Ų6871.4 Ų71.436%0.36432%0.322SS..SBendtrans-63.8134.8177.4-170.3-2000111.3L337 R341 H342 H367L337-D339 VanDerWaalsContact C-N 3.28Å; D339-R341 HydrophobicContact CB-CG 4.11Å; D339-R341 PolarHBondContact O-N 3.33Å; D339-R341 VanDerWaalsContact O-N 3.12Å; D339-R341 PolarHBondContact OD1-N 3.04Å; D339-R341 WeakPolarHBondContact OD2-CD 3.47Å; D339-R341 WeakPolarHBondContact OD2-CG 3.41Å; D339-R341 IonicContact OD2-CZ 3.35Å; D339-R341 IonicContact OD2-NE 3.53Å; D339-R341 PolarHBondContact OD2-NE 3.24Å; D339-H342 PolarHBondContact O-N 3.07Å; D339-H342 VanDerWaalsContact O-N 3.11Å; D339-H367 PolarHBondContact O-CE1 2.87Å; D339-H367 PolarHBondContact O-ND1 2.8Å
340K94.1Very high93.2Very high166 Ų16666.4 Ų66.472%0.72230%0.301SS*.G310 helixtrans-60.6-23.3-177.5-68-172.7178.4-177.20113H342 Q343K340-H342 PolarHBondContact O-N 3.33Å; K340-H342 VanDerWaalsContact O-N 3.1Å; K340-Q343 WeakPolarHBondContact O-CB 3.32Å; K340-Q343 PolarHBondContact O-N 2.85Å
341R94.3Very high93.8Very high155 Ų15567.5 Ų67.559%0.58531%0.305SS*.G310 helixtrans-57.9-23.1176.173.1-177.1178.3164.8-0.3113.4D339D339-R341 HydrophobicContact CB-CG 4.11Å; D339-R341 PolarHBondContact O-N 3.33Å; D339-R341 VanDerWaalsContact O-N 3.12Å; D339-R341 PolarHBondContact OD1-N 3.04Å; D339-R341 WeakPolarHBondContact OD2-CD 3.47Å; D339-R341 WeakPolarHBondContact OD2-CG 3.41Å; D339-R341 IonicContact OD2-CZ 3.35Å; D339-R341 IonicContact OD2-NE 3.53Å; D339-R341 PolarHBondContact OD2-NE 3.24Å
342H94Very high94Very high5 Ų570.5 Ų70.52%0.02334%0.34CS..G310 helixtrans-92.9-5.1-179.7-59.4-60000113.7M335 D336 L337 D339 K340 D344 D345 R363 A364 H367M335-H342 VanDerWaalsContact CG-NE2 3.34Å; M335-H342 WeakPolarHBondContact CG-NE2 3.49Å; M335-H342 PolarHBondContact SD-CE1 2.71Å; D336-H342 PolarHBondContact O-CD2 3.05Å; D336-H342 PolarHBondContact O-NE2 3.48Å; L337-H342 HydrophobicContact CD2-CB 4.35Å; D339-H342 PolarHBondContact O-N 3.07Å; D339-H342 VanDerWaalsContact O-N 3.11Å; K340-H342 PolarHBondContact O-N 3.33Å; K340-H342 VanDerWaalsContact O-N 3.1Å; H342-D344 PolarHBondContact O-N 2.73Å; H342-D345 IonicContact ND1-OD2 3.19Å; H342-D345 PolarHBondContact O-N 3.07Å; H342-D345 VanDerWaalsContact O-N 3.16Å; H342-R363 HydrophobicContact CB-CB 4.43Å; H342-A364 WeakPolarHBondContact O-CA 3.49Å; H342-A364 PolarHBondContact O-N 3.44Å; H342-H367 HydrophobicContact CB-CB 4.22Å
343Q95.1Very high94.1Very high104 Ų10464.7 Ų64.749%0.48632%0.322SS..THydrogen-bonded Turntrans-55.1-39.2-177.5-176.5-179.9-16.700112.6K340 A364 H367K340-Q343 WeakPolarHBondContact O-CB 3.32Å; K340-Q343 PolarHBondContact O-N 2.85Å; Q343-A364 WeakPolarHBondContact O-CB 3.4Å; Q343-H367 VanDerWaalsContact CA-CD2 3.49Å; Q343-H367 WeakPolarHBondContact CA-CD2 3.45Å
344D96Very high94Very high119 Ų11966.3 Ų66.364%0.63634%0.34SS*.THydrogen-bonded Turntrans-117.223.7179.6-58.4-50.7000111.9H342 F346H342-D344 PolarHBondContact O-N 2.73Å; D344-F346 HydrophobicContact CB-CE2 4.48Å; D344-F346 WeakPolarHBondContact O-CD2 3.5Å; D344-F346 PolarHBondContact O-N 3.36Å
345D95.7Very high94Very high19 Ų1966 Ų6610%0.10234%0.339CS..  trans-89.2100.4174.4-169.1-9.4000110.4H342 R347 R363 A364H342-D345 IonicContact ND1-OD2 3.19Å; H342-D345 PolarHBondContact O-N 3.07Å; H342-D345 VanDerWaalsContact O-N 3.16Å; D345-R347 VanDerWaalsContact C-N 3.27Å; D345-R347 PolarHBondContact O-N 3.06Å; D345-R347 VanDerWaalsContact OD1-CB 3.3Å; D345-R347 WeakPolarHBondContact OD1-CB 3.33Å; D345-R347 WeakPolarHBondContact OD1-CG 3.45Å; D345-R347 IonicContact OD1-CZ 3.44Å; D345-R347 PolarHBondContact OD1-N 3.43Å; D345-R347 VanDerWaalsContact OD1-N 3.14Å; D345-R347 IonicContact OD1-NE 2.79Å; D345-R347 PolarHBondContact OD1-NE 3.27Å; D345-R347 IonicContact OD1-NH2 2.68Å; D345-R347 IonicContact OD2-CZ 3.46Å; D345-R347 IonicContact OD2-NE 3.61Å; D345-R347 PolarHBondContact OD2-NE 2.75Å; D345-R347 IonicContact OD2-NH2 2.72Å; D345-R347 PolarHBondContact OD2-NH2 3.16Å; D345-R363 HydrophobicContact CB-CB 4.09Å; D345-R363 VanDerWaalsContact CG-CD 3.49Å; D345-R363 WeakPolarHBondContact O-CB 3.49Å; D345-R363 PolarHBondContact O-N 3.47Å; D345-R363 WeakPolarHBondContact OD2-CD 3.42Å; D345-R363 IonicContact OD2-CZ 3.64Å; D345-R363 IonicContact OD2-NE 2.72Å; D345-R363 IonicContact OD2-NH1 2.69Å; D345-R363 PolarHBondContact OD2-NH1 3.39Å; D345-A364 WeakPolarHBondContact O-CB 3.4Å; D345-A364 PolarHBondContact O-N 3.33Å
346F96.1Very high94Very high127 Ų12771.1 Ų71.156%0.55736%0.358SS*.  trans-86.411.2-177.4-57.6-65.1000114.2D344 Q362 A364D344-F346 HydrophobicContact CB-CE2 4.48Å; D344-F346 WeakPolarHBondContact O-CD2 3.5Å; D344-F346 PolarHBondContact O-N 3.36Å; F346-Q362 VanDerWaalsContact O-CD 3.26Å; F346-Q362 WeakPolarHBondContact O-CG 3.18Å; F346-Q362 PolarHBondContact O-NE2 3.34Å; F346-A364 HydrophobicContact CD1-CB 3.95Å; F346-A364 HydrophobicContact CE1-CB 4Å
347R96.2Very high94Very high130 Ų13068.7 Ų68.749%0.49135%0.345SS..SBendtrans-77.6157.7172.4-66.3176.2-65.4-178.6-0.2111.4D345 Q362 R363D345-R347 VanDerWaalsContact C-N 3.27Å; D345-R347 PolarHBondContact O-N 3.06Å; D345-R347 VanDerWaalsContact OD1-CB 3.3Å; D345-R347 WeakPolarHBondContact OD1-CB 3.33Å; D345-R347 WeakPolarHBondContact OD1-CG 3.45Å; D345-R347 IonicContact OD1-CZ 3.44Å; D345-R347 PolarHBondContact OD1-N 3.43Å; D345-R347 VanDerWaalsContact OD1-N 3.14Å; D345-R347 IonicContact OD1-NE 2.79Å; D345-R347 PolarHBondContact OD1-NE 3.27Å; D345-R347 IonicContact OD1-NH2 2.68Å; D345-R347 IonicContact OD2-CZ 3.46Å; D345-R347 IonicContact OD2-NE 3.61Å; D345-R347 PolarHBondContact OD2-NE 2.75Å; D345-R347 IonicContact OD2-NH2 2.72Å; D345-R347 PolarHBondContact OD2-NH2 3.16Å; R347-Q362 CarbonylContact O-C 3.57Å; R347-Q362 WeakPolarHBondContact O-CA 3.46Å; R347-R363 VanDerWaalsContact NH2-NH1 3.17Å; R347-R363 WeakPolarHBondContact O-CG 3.39Å; R347-R363 PolarHBondContact O-N 2.89Å
348P96.9Very high94Very high26 Ų2669.4 Ų69.417%0.16935%0.35CS..  trans-61.2167.3166.529.1-37.5000111.4V350 E351 C358 R363P348-V350 VanDerWaalsContact C-N 3.34Å; P348-V350 PolarHBondContact O-N 3.22Å; P348-E351 WeakPolarHBondContact CD-OE1 3.17Å; P348-E351 HydrophobicContact CG-CG 4.4Å; P348-E351 WeakPolarHBondContact CG-OE2 3.48Å; P348-C358 HydrophobicContact CB-CB 4.1Å; P348-C358 WeakPolarHBondContact CB-O 3.5Å; P348-R363 PolarHBondContact O-NE 3Å
349L95.2Very high94.1Very high0 Ų073.2 Ų73.20%036%0.361CS..SBendtrans-58.1-49.4176.7-57.3-175.5000110.9A290 M335 L337 C357 R363 V366 L381 H384A290-L349 HydrophobicContact CB-CB 4.42Å; A290-L349 HydrophobicContact CB-CD1 3.92Å; A290-L349 HydrophobicContact CB-CD2 4.47Å; M335-L349 HydrophobicContact CE-CB 4.41Å; M335-L349 HydrophobicContact CE-CD2 4.14Å; L337-L349 HydrophobicContact CD1-CD2 3.71Å; L337-L349 HydrophobicContact CD2-CD2 3.95Å; L337-L349 HydrophobicContact CG-CD2 4.46Å; L349-C357 HydrophobicContact CD1-CB 4.49Å; L349-C357 WeakPolarHBondContact CD1-SG 3.4Å; L349-R363 HydrophobicContact CD2-CG 3.81Å; L349-R363 PolarHBondContact O-NE 3.48Å; L349-R363 PolarHBondContact O-NH2 3.28Å; L349-V366 HydrophobicContact CD2-CG2 4.25Å; L349-L381 HydrophobicContact CD1-CD2 4.33Å; L349-H384 HydrophobicContact CD1-CB 3.92Å
350V94.8Very high94.3Very high28 Ų2874.6 Ų74.617%0.1737%0.369CS..SBendtrans-133.8126.6175177.90000108.9L291 C292 P348 C353L291-V350 WeakPolarHBondContact O-CG2 3.36Å; C292-V350 HydrophobicContact CB-CG2 4.1Å; P348-V350 VanDerWaalsContact C-N 3.34Å; P348-V350 PolarHBondContact O-N 3.22Å; V350-C353 HydrophobicContact CB-CB 3.97Å; V350-C353 HydrophobicContact CG1-CB 4.27Å; V350-C353 VanDerWaalsContact O-CB 3.31Å; V350-C353 WeakPolarHBondContact O-CB 3.36Å; V350-C353 PolarHBondContact O-N 3.08Å
351E91.4Very high94.4Very high124 Ų12468.5 Ų68.558%0.57934%0.343SS*.THydrogen-bonded Turntrans-62.1137.3175.6-66.6-65.8171.200110.8P348 C353P348-E351 WeakPolarHBondContact CD-OE1 3.17Å; P348-E351 HydrophobicContact CG-CG 4.4Å; P348-E351 WeakPolarHBondContact CG-OE2 3.48Å; E351-C353 PolarHBondContact O-N 3.31Å
352G88.4Confident94.5Very high85 Ų8565.3 Ų65.388%0.87634%0.335SS*.THydrogen-bonded Turntrans75.5-3.9-177.700000115.4G354G352-G354 PolarHBondContact O-N 3.47Å
353C91.3Very high94.7Very high25 Ų2566.7 Ų66.717%0.16934%0.34CS..  trans-69.7127.8176.7-178.40000111.5V350 E351 C355 C358V350-C353 HydrophobicContact CB-CB 3.97Å; V350-C353 HydrophobicContact CG1-CB 4.27Å; V350-C353 VanDerWaalsContact O-CB 3.31Å; V350-C353 WeakPolarHBondContact O-CB 3.36Å; V350-C353 PolarHBondContact O-N 3.08Å; E351-C353 PolarHBondContact O-N 3.31Å; C353-C355 VanDerWaalsContact C-N 3.31Å; C353-C355 PolarHBondContact O-N 3.17Å; C353-C358 HydrophobicContact CB-CB 3.83Å; C353-C358 WeakPolarHBondContact O-CB 3.42Å
354G89.6Confident94.8Very high38 Ų3862.2 Ų62.239%0.39232%0.32SS..  trans-82.94.8-178.700000115.7G352 R359G352-G354 PolarHBondContact O-N 3.47Å; G354-R359 PolarHBondContact O-NE 3.29Å; G354-R359 PolarHBondContact O-NH2 2.93Å
355C93.6Very high94.9Very high4 Ų460.7 Ų60.73%0.02731%0.306CS..SBendtrans-73.2159.7-176.480.60000112.1C353 C357 C358 R359 H384C353-C355 VanDerWaalsContact C-N 3.31Å; C353-C355 PolarHBondContact O-N 3.17Å; C355-C357 VanDerWaalsContact C-N 3.27Å; C355-C357 PolarHBondContact O-N 3.45Å; C355-C358 PolarHBondContact O-N 2.89Å; C355-C358 PolarHBondContact SG-N 3.38Å; C355-R359 WeakPolarHBondContact O-CG 3.31Å; C355-R359 PolarHBondContact O-N 3.44Å; C355-R359 VanDerWaalsContact O-N 3.08Å; C355-H384 PolarHBondContact SG-ND1 3.15Å; C355-H384 VanDerWaalsContact SG-ND1 3.44Å
356Y94.6Very high94.9Very high116 Ų11659.8 Ų59.846%0.45530%0.301SS..Hα-helixtrans-56-41.2178.9179.8-90.9000112.7R359 N360 H361 L380 M383Y356-R359 PolarHBondContact O-N 2.99Å; Y356-N360 WeakPolarHBondContact CD2-ND2 3.5Å; Y356-N360 WeakPolarHBondContact CE2-ND2 3.4Å; Y356-N360 PolarHBondContact O-N 3.36Å; Y356-N360 PolarHBondContact O-ND2 3Å; Y356-H361 AromaticContact CE1-NE2 3.7Å; Y356-L380 HydrophobicContact CD1-CD2 3.96Å; Y356-L380 HydrophobicContact CE1-CD2 4.04Å; Y356-M383 HydrophobicContact CD1-CE 4.21Å; Y356-M383 HydrophobicContact CD1-SD 4.11Å; Y356-M383 HydrophobicContact CG-CE 3.88Å; Y356-M383 HydrophobicContact CG-SD 4.39Å
357C95.3Very high95Very high0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-62.9-51.9180-177.30000111.5L349 C355 R359 N360 H361 L380 H384L349-C357 HydrophobicContact CD1-CB 4.49Å; L349-C357 WeakPolarHBondContact CD1-SG 3.4Å; C355-C357 VanDerWaalsContact C-N 3.27Å; C355-C357 PolarHBondContact O-N 3.45Å; C357-R359 VanDerWaalsContact C-N 3.28Å; C357-R359 PolarHBondContact O-N 3.44Å; C357-N360 PolarHBondContact O-N 3.25Å; C357-H361 WeakPolarHBondContact O-CA 3.24Å; C357-H361 WeakPolarHBondContact O-CB 3.44Å; C357-H361 PolarHBondContact O-N 3.48Å; C357-L380 HydrophobicContact CB-CB 4.3Å; C357-L380 HydrophobicContact CB-CD2 4.33Å; C357-H384 HydrophobicContact CB-CB 4.22Å
358C95.2Very high95.1Very high14 Ų1453 Ų5310%0.09528%0.277CS..Hα-helixtrans-67.4-26.3-178.6-68.80000113.5P348 C353 C355 H384P348-C358 HydrophobicContact CB-CB 4.1Å; P348-C358 WeakPolarHBondContact CB-O 3.5Å; C353-C358 HydrophobicContact CB-CB 3.83Å; C353-C358 WeakPolarHBondContact O-CB 3.42Å; C355-C358 PolarHBondContact O-N 2.89Å; C355-C358 PolarHBondContact SG-N 3.38Å; C358-H384 PolarHBondContact SG-ND1 3.31Å; C358-H384 VanDerWaalsContact SG-ND1 3.41Å
359R95.3Very high95.1Very high184 Ų18452.2 Ų52.269%0.69427%0.271SS*.Hα-helixtrans-76.5-30.8177.7-74.2179175170.85.7114G354 C355 Y356 C357G354-R359 PolarHBondContact O-NE 3.29Å; G354-R359 PolarHBondContact O-NH2 2.93Å; C355-R359 WeakPolarHBondContact O-CG 3.31Å; C355-R359 PolarHBondContact O-N 3.44Å; C355-R359 VanDerWaalsContact O-N 3.08Å; Y356-R359 PolarHBondContact O-N 2.99Å; C357-R359 VanDerWaalsContact C-N 3.28Å; C357-R359 PolarHBondContact O-N 3.44Å
360N96.6Very high95.2Very high97 Ų9753.4 Ų53.452%0.51928%0.277SS..Hα-helixtrans-118.1-19.1-168.9-60.8-68.6000113.9Y356 C357Y356-N360 WeakPolarHBondContact CD2-ND2 3.5Å; Y356-N360 WeakPolarHBondContact CE2-ND2 3.4Å; Y356-N360 PolarHBondContact O-N 3.36Å; Y356-N360 PolarHBondContact O-ND2 3Å; C357-N360 PolarHBondContact O-N 3.25Å
361H97.1Very high95.2Very high38 Ų3856.2 Ų56.218%0.17629%0.294CS..  trans-130.7156.3-170.2-59.1-60.8000112.1Y356 C357 Y365Y356-H361 AromaticContact CE1-NE2 3.7Å; C357-H361 WeakPolarHBondContact O-CA 3.24Å; C357-H361 WeakPolarHBondContact O-CB 3.44Å; C357-H361 PolarHBondContact O-N 3.48Å; H361-Y365 HydrophobicContact CB-CD1 3.92Å; H361-Y365 AromaticContact CE1-CE1 3.66Å; H361-Y365 AromaticContact CG-CD1 3.74Å; H361-Y365 AromaticContact CG-CE1 3.97Å; H361-Y365 AromaticContact ND1-CD1 3.35Å; H361-Y365 WeakPolarHBondContact ND1-CD1 3.45Å; H361-Y365 AromaticContact ND1-CE1 3.34Å; H361-Y365 VanDerWaalsContact ND1-CE1 3.34Å; H361-Y365 WeakPolarHBondContact ND1-CE1 3.23Å
362Q96.6Very high95.5Very high88 Ų8853.2 Ų53.241%0.41129%0.285SS..  trans-112.9160.1-177.3-60.8170.5-22.300109.9F346 R347 A364 Y365 V366F346-Q362 VanDerWaalsContact O-CD 3.26Å; F346-Q362 WeakPolarHBondContact O-CG 3.18Å; F346-Q362 PolarHBondContact O-NE2 3.34Å; R347-Q362 CarbonylContact O-C 3.57Å; R347-Q362 WeakPolarHBondContact O-CA 3.46Å; Q362-A364 VanDerWaalsContact C-N 3.27Å; Q362-A364 PolarHBondContact O-N 3.24Å; Q362-Y365 WeakPolarHBondContact O-CB 3.33Å; Q362-Y365 PolarHBondContact O-N 2.9Å; Q362-V366 PolarHBondContact O-N 3.21Å; Q362-V366 VanDerWaalsContact O-N 3.15Å
363R97.4Very high95.8Very high34 Ų3456.1 Ų56.113%0.12828%0.28CS..Hα-helixtrans-56.7-42177.6-67165.6-178.8-166.6-5.2111.9M335 L337 H342 D345 R347 P348 L349 Y365 V366 H367M335-R363 HydrophobicContact CE-CG 4.03Å; L337-R363 HydrophobicContact CD2-CB 3.88Å; L337-R363 HydrophobicContact CD2-CG 4.07Å; H342-R363 HydrophobicContact CB-CB 4.43Å; D345-R363 HydrophobicContact CB-CB 4.09Å; D345-R363 VanDerWaalsContact CG-CD 3.49Å; D345-R363 WeakPolarHBondContact O-CB 3.49Å; D345-R363 PolarHBondContact O-N 3.47Å; D345-R363 WeakPolarHBondContact OD2-CD 3.42Å; D345-R363 IonicContact OD2-CZ 3.64Å; D345-R363 IonicContact OD2-NE 2.72Å; D345-R363 IonicContact OD2-NH1 2.69Å; D345-R363 PolarHBondContact OD2-NH1 3.39Å; R347-R363 VanDerWaalsContact NH2-NH1 3.17Å; R347-R363 WeakPolarHBondContact O-CG 3.39Å; R347-R363 PolarHBondContact O-N 2.89Å; P348-R363 PolarHBondContact O-NE 3Å; L349-R363 HydrophobicContact CD2-CG 3.81Å; L349-R363 PolarHBondContact O-NE 3.48Å; L349-R363 PolarHBondContact O-NH2 3.28Å; R363-Y365 VanDerWaalsContact C-N 3.27Å; R363-Y365 PolarHBondContact O-N 2.78Å; R363-V366 PolarHBondContact O-N 2.75Å; R363-H367 VanDerWaalsContact O-CB 3.3Å; R363-H367 WeakPolarHBondContact O-CB 3.44Å; R363-H367 PolarHBondContact O-N 3.34Å
364A97.1Very high96.1Very high10 Ų1060.1 Ų60.18%0.08330%0.296CS..Hα-helixtrans-54.1-40.8173.600000113.2H342 Q343 D345 F346 Q362 H368H342-A364 WeakPolarHBondContact O-CA 3.49Å; H342-A364 PolarHBondContact O-N 3.44Å; Q343-A364 WeakPolarHBondContact O-CB 3.4Å; D345-A364 WeakPolarHBondContact O-CB 3.4Å; D345-A364 PolarHBondContact O-N 3.33Å; F346-A364 HydrophobicContact CD1-CB 3.95Å; F346-A364 HydrophobicContact CE1-CB 4Å; Q362-A364 VanDerWaalsContact C-N 3.27Å; Q362-A364 PolarHBondContact O-N 3.24Å; A364-H368 WeakPolarHBondContact O-CB 3.2Å; A364-H368 PolarHBondContact O-N 3.45Å
365Y98Very high96.4Very high87 Ų8765.7 Ų65.734%0.34132%0.316SS..Hα-helixtrans-70.1-44.6178.6-179.2-111.2000111.8H361 Q362 R363 H368 L369 L380H361-Y365 HydrophobicContact CB-CD1 3.92Å; H361-Y365 AromaticContact CE1-CE1 3.66Å; H361-Y365 AromaticContact CG-CD1 3.74Å; H361-Y365 AromaticContact CG-CE1 3.97Å; H361-Y365 AromaticContact ND1-CD1 3.35Å; H361-Y365 WeakPolarHBondContact ND1-CD1 3.45Å; H361-Y365 AromaticContact ND1-CE1 3.34Å; H361-Y365 VanDerWaalsContact ND1-CE1 3.34Å; H361-Y365 WeakPolarHBondContact ND1-CE1 3.23Å; Q362-Y365 WeakPolarHBondContact O-CB 3.33Å; Q362-Y365 PolarHBondContact O-N 2.9Å; R363-Y365 VanDerWaalsContact C-N 3.27Å; R363-Y365 PolarHBondContact O-N 2.78Å; Y365-H368 WeakPolarHBondContact O-CB 3.2Å; Y365-H368 PolarHBondContact O-N 2.78Å; Y365-L369 HydrophobicContact CD1-CD1 4.05Å; Y365-L369 HydrophobicContact CE1-CD1 3.55Å; Y365-L369 HydrophobicContact CE1-CG 4.16Å; Y365-L369 HydrophobicContact CE2-CD2 4.33Å; Y365-L369 HydrophobicContact CE2-CG 4.36Å; Y365-L369 WeakPolarHBondContact O-CG 3.35Å; Y365-L369 PolarHBondContact O-N 2.71Å; Y365-L380 HydrophobicContact CD1-CD1 4.42Å; Y365-L380 HydrophobicContact CE1-CD1 4.09Å
366V97.3Very high96.5Very high0 Ų069 Ų690%033%0.334CS..Hα-helixtrans-67.1-38.7177.5-175.10000111.1L337 L349 Q362 R363 L369 L370 L380 L381L337-V366 HydrophobicContact CD1-CB 4.33Å; L337-V366 HydrophobicContact CD1-CG1 3.82Å; L349-V366 HydrophobicContact CD2-CG2 4.25Å; Q362-V366 PolarHBondContact O-N 3.21Å; Q362-V366 VanDerWaalsContact O-N 3.15Å; R363-V366 PolarHBondContact O-N 2.75Å; V366-L369 PolarHBondContact O-N 3.23Å; V366-L370 HydrophobicContact CG1-CD1 4.29Å; V366-L370 WeakPolarHBondContact O-CG 2.97Å; V366-L370 PolarHBondContact O-N 2.85Å; V366-L380 HydrophobicContact CG2-CD1 4.44Å; V366-L381 HydrophobicContact CG1-CD2 4.05Å; V366-L381 HydrophobicContact CG1-CG 4.18Å
367H97.6Very high96.7Very high12 Ų1263.6 Ų63.66%0.05631%0.313CS..Hα-helixtrans-55.6-50170.4173.583.4000111.1L337 K338 D339 H342 Q343 R363 L369 L370 V371L337-H367 WeakPolarHBondContact O-CA 3.37Å; L337-H367 WeakPolarHBondContact O-CB 3.28Å; L337-H367 PolarHBondContact O-ND1 3.41Å; K338-H367 PolarHBondContact O-CE1 2.79Å; D339-H367 PolarHBondContact O-CE1 2.87Å; D339-H367 PolarHBondContact O-ND1 2.8Å; H342-H367 HydrophobicContact CB-CB 4.22Å; Q343-H367 VanDerWaalsContact CA-CD2 3.49Å; Q343-H367 WeakPolarHBondContact CA-CD2 3.45Å; R363-H367 VanDerWaalsContact O-CB 3.3Å; R363-H367 WeakPolarHBondContact O-CB 3.44Å; R363-H367 PolarHBondContact O-N 3.34Å; H367-L369 PolarHBondContact O-N 3.25Å; H367-L370 PolarHBondContact O-N 2.94Å; H367-V371 WeakPolarHBondContact O-CG2 3.35Å; H367-V371 PolarHBondContact O-N 3.32Å
368H97.7Very high96.7Very high103 Ų10364.3 Ų64.348%0.47732%0.32SS..Hα-helixtrans-55.9-50.9176.9174.772000111.5A364 Y365 L370 V371 T372A364-H368 WeakPolarHBondContact O-CB 3.2Å; A364-H368 PolarHBondContact O-N 3.45Å; Y365-H368 WeakPolarHBondContact O-CB 3.2Å; Y365-H368 PolarHBondContact O-N 2.78Å; H368-L370 VanDerWaalsContact C-N 3.3Å; H368-L370 PolarHBondContact O-N 3.46Å; H368-V371 PolarHBondContact O-N 2.84Å; H368-T372 VanDerWaalsContact CE1-CG2 3.45Å; H368-T372 WeakPolarHBondContact CE1-CG2 3.24Å; H368-T372 WeakPolarHBondContact O-CG2 3.34Å; H368-T372 PolarHBondContact O-N 2.78Å; H368-T372 PolarHBondContact O-OG1 3.37Å
369L97.8Very high96.9Very high9 Ų965.5 Ų65.55%0.04733%0.327CS..Hα-helixtrans-58-40.8178.7-67.4177.1000112.4Y365 V366 H367 T372 N373 E374 L376 A377 L380Y365-L369 HydrophobicContact CD1-CD1 4.05Å; Y365-L369 HydrophobicContact CE1-CD1 3.55Å; Y365-L369 HydrophobicContact CE1-CG 4.16Å; Y365-L369 HydrophobicContact CE2-CD2 4.33Å; Y365-L369 HydrophobicContact CE2-CG 4.36Å; Y365-L369 WeakPolarHBondContact O-CG 3.35Å; Y365-L369 PolarHBondContact O-N 2.71Å; V366-L369 PolarHBondContact O-N 3.23Å; H367-L369 PolarHBondContact O-N 3.25Å; L369-T372 PolarHBondContact O-OG1 2.97Å; L369-N373 PolarHBondContact O-N 3.13Å; L369-E374 HydrophobicContact CB-CB 4.2Å; L369-E374 HydrophobicContact CD2-CB 3.77Å; L369-E374 HydrophobicContact CD2-CG 4.13Å; L369-E374 PolarHBondContact O-N 3.48Å; L369-L376 HydrophobicContact CD1-CB 4.24Å; L369-L376 HydrophobicContact CD1-CD2 4.08Å; L369-L376 HydrophobicContact CD1-CG 4.04Å; L369-A377 HydrophobicContact CB-CB 3.82Å; L369-L380 HydrophobicContact CD1-CD1 3.89Å
370L96.3Very high97Very high25 Ų2556.9 Ų56.913%0.13129%0.294CS..Hα-helixtrans-65.8-44.4176.7-72.4167.5000111.9L337 K338 V366 H367 H368 T372 N373 A377 L381L337-L370 HydrophobicContact CB-CD1 3.49Å; L337-L370 VanDerWaalsContact CB-CD1 3.49Å; K338-L370 HydrophobicContact CG-CB 4.21Å; K338-L370 HydrophobicContact CG-CD1 4.18Å; V366-L370 HydrophobicContact CG1-CD1 4.29Å; V366-L370 WeakPolarHBondContact O-CG 2.97Å; V366-L370 PolarHBondContact O-N 2.85Å; H367-L370 PolarHBondContact O-N 2.94Å; H368-L370 VanDerWaalsContact C-N 3.3Å; H368-L370 PolarHBondContact O-N 3.46Å; L370-T372 VanDerWaalsContact C-N 3.34Å; L370-N373 PolarHBondContact O-N 2.9Å; L370-A377 HydrophobicContact CD2-CB 3.6Å; L370-A377 HydrophobicContact CG-CB 3.8Å; L370-L381 HydrophobicContact CD1-CD1 4.46Å; L370-L381 HydrophobicContact CD2-CD1 4.29Å
371V96.1Very high97Very high87 Ų8752.3 Ų52.353%0.52727%0.27SS..Hα-helixtrans-68.8-33.8-179.2171.90000111.7H367 H368 N373H367-V371 WeakPolarHBondContact O-CG2 3.35Å; H367-V371 PolarHBondContact O-N 3.32Å; H368-V371 PolarHBondContact O-N 2.84Å; V371-N373 VanDerWaalsContact C-N 3.26Å; V371-N373 PolarHBondContact O-N 3.02Å
372T96.6Very high97Very high62 Ų6250.6 Ų50.638%0.3826%0.262SS..THydrogen-bonded Turntrans-83.72.9175.360.60000113.6H368 L369 L370 E374H368-T372 VanDerWaalsContact CE1-CG2 3.45Å; H368-T372 WeakPolarHBondContact CE1-CG2 3.24Å; H368-T372 WeakPolarHBondContact O-CG2 3.34Å; H368-T372 PolarHBondContact O-N 2.78Å; H368-T372 PolarHBondContact O-OG1 3.37Å; L369-T372 PolarHBondContact O-OG1 2.97Å; L370-T372 VanDerWaalsContact C-N 3.34Å; T372-E374 VanDerWaalsContact C-N 3.31Å; T372-E374 PolarHBondContact O-N 2.88Å; T372-E374 WeakPolarHBondContact OG1-CG 3.46Å
373N94.9Very high97Very high145 Ų14546.8 Ų46.878%0.77524%0.244SC*.THydrogen-bonded Turntrans57.437.3-177.6-59.9-57.2000114.2L369 L370 V371L369-N373 PolarHBondContact O-N 3.13Å; L370-N373 PolarHBondContact O-N 2.9Å; V371-N373 VanDerWaalsContact C-N 3.26Å; V371-N373 PolarHBondContact O-N 3.02Å
374E97.3Very high97Very high109 Ų10945.2 Ų45.251%0.50924%0.238SC..  trans-83.9124.2174.7-74.5-67.2163.800111L369 T372 L376 A377L369-E374 HydrophobicContact CB-CB 4.2Å; L369-E374 HydrophobicContact CD2-CB 3.77Å; L369-E374 HydrophobicContact CD2-CG 4.13Å; L369-E374 PolarHBondContact O-N 3.48Å; T372-E374 VanDerWaalsContact C-N 3.31Å; T372-E374 PolarHBondContact O-N 2.88Å; T372-E374 WeakPolarHBondContact OG1-CG 3.46Å; E374-L376 PolarHBondContact O-N 3.36Å; E374-L376 VanDerWaalsContact O-N 3.11Å; E374-A377 WeakPolarHBondContact O-CB 3.39Å; E374-A377 PolarHBondContact O-N 2.98Å
375L95.7Very high97Very high155 Ų15544.7 Ų44.781%0.81223%0.234SC*.THydrogen-bonded Turntrans-63.3-20-177.6-64.8177.6000113.4A377 G378L375-A377 PolarHBondContact O-N 3.33Å; L375-A377 VanDerWaalsContact O-N 3.16Å; L375-G378 PolarHBondContact O-N 3.2Å
376L97.2Very high96.9Very high75 Ų7540.8 Ų40.839%0.39322%0.219SC..Hα-helixtrans-57.1-27.4173.8-178.162000112.3L369 E374 G378 V379 L380L369-L376 HydrophobicContact CD1-CB 4.24Å; L369-L376 HydrophobicContact CD1-CD2 4.08Å; L369-L376 HydrophobicContact CD1-CG 4.04Å; E374-L376 PolarHBondContact O-N 3.36Å; E374-L376 VanDerWaalsContact O-N 3.11Å; L376-G378 VanDerWaalsContact C-N 3.32Å; L376-G378 PolarHBondContact O-N 3.31Å; L376-V379 HydrophobicContact CD1-CB 4.32Å; L376-V379 PolarHBondContact O-N 3.46Å; L376-L380 HydrophobicContact CD1-CG 4.41Å; L376-L380 HydrophobicContact CG-CD1 4.33Å; L376-L380 HydrophobicContact CG-CG 4.37Å; L376-L380 PolarHBondContact O-N 3.15Å
377A97Very high96.8Very high2 Ų241.2 Ų41.22%0.01722%0.222CC..Hα-helixtrans-56.1-46.8173.900000111.7L369 L370 E374 L375 V379 L380 L381L369-A377 HydrophobicContact CB-CB 3.82Å; L370-A377 HydrophobicContact CD2-CB 3.6Å; L370-A377 HydrophobicContact CG-CB 3.8Å; E374-A377 WeakPolarHBondContact O-CB 3.39Å; E374-A377 PolarHBondContact O-N 2.98Å; L375-A377 PolarHBondContact O-N 3.33Å; L375-A377 VanDerWaalsContact O-N 3.16Å; A377-V379 VanDerWaalsContact C-N 3.33Å; A377-V379 PolarHBondContact O-N 2.92Å; A377-L380 PolarHBondContact O-N 3.44Å; A377-L381 WeakPolarHBondContact O-CB 3.13Å; A377-L381 VanDerWaalsContact O-CG 3.24Å; A377-L381 WeakPolarHBondContact O-CG 3.35Å; A377-L381 PolarHBondContact O-N 3.33Å
378G97.1Very high96.6Very high14 Ų1440.9 Ų40.914%0.14422%0.221CC..Hα-helixtrans-62.7-39.1179.500000112.5T285 L375 L376 M382T285-G378 WeakPolarHBondContact CG2-O 3.46Å; L375-G378 PolarHBondContact O-N 3.2Å; L376-G378 VanDerWaalsContact C-N 3.32Å; L376-G378 PolarHBondContact O-N 3.31Å; G378-M382 VanDerWaalsContact O-CB 3.32Å; G378-M382 WeakPolarHBondContact O-CB 3.43Å; G378-M382 PolarHBondContact O-N 3.16Å
379V97.7Very high96.6Very high39 Ų3936 Ų3624%0.23620%0.198CC..Hα-helixtrans-61.6-52176.1-176.70000110.8H50 L51 L376 A377 L381 M382 M383H50-V379 HydrophobicContact CB-CG2 4.23Å; L51-V379 HydrophobicContact CD2-CG1 4.08Å; L376-V379 HydrophobicContact CD1-CB 4.32Å; L376-V379 PolarHBondContact O-N 3.46Å; A377-V379 VanDerWaalsContact C-N 3.33Å; A377-V379 PolarHBondContact O-N 2.92Å; V379-L381 PolarHBondContact O-N 3.42Å; V379-M382 PolarHBondContact O-N 3.07Å; V379-M383 VanDerWaalsContact O-CG 3.32Å; V379-M383 WeakPolarHBondContact O-CG 3.4Å; V379-M383 PolarHBondContact O-N 2.85Å
380L97.6Very high96.3Very high4 Ų436.5 Ų36.52%0.02120%0.2CC..Hα-helixtrans-63.6-41.4-178.9-70.1179.8000112.2Y356 C357 Y365 V366 L369 L376 A377 H384Y356-L380 HydrophobicContact CD1-CD2 3.96Å; Y356-L380 HydrophobicContact CE1-CD2 4.04Å; C357-L380 HydrophobicContact CB-CB 4.3Å; C357-L380 HydrophobicContact CB-CD2 4.33Å; Y365-L380 HydrophobicContact CD1-CD1 4.42Å; Y365-L380 HydrophobicContact CE1-CD1 4.09Å; V366-L380 HydrophobicContact CG2-CD1 4.44Å; L369-L380 HydrophobicContact CD1-CD1 3.89Å; L376-L380 HydrophobicContact CD1-CG 4.41Å; L376-L380 HydrophobicContact CG-CD1 4.33Å; L376-L380 HydrophobicContact CG-CG 4.37Å; L376-L380 PolarHBondContact O-N 3.15Å; A377-L380 PolarHBondContact O-N 3.44Å; L380-H384 PolarHBondContact O-N 2.91Å; L380-H384 VanDerWaalsContact O-N 3.09Å
381L97.9Very high96.2Very high0 Ų036.8 Ų36.80%021%0.205CC..Hα-helixtrans-64.3-43.8175.8-73.3177.3000111.6T285 A290 L337 L349 V366 L370 A377 V379 M383 H384 N385T285-L381 HydrophobicContact CG2-CB 3.8Å; A290-L381 HydrophobicContact CB-CD2 3.95Å; L337-L381 HydrophobicContact CD1-CD2 3.55Å; L349-L381 HydrophobicContact CD1-CD2 4.33Å; V366-L381 HydrophobicContact CG1-CD2 4.05Å; V366-L381 HydrophobicContact CG1-CG 4.18Å; L370-L381 HydrophobicContact CD1-CD1 4.46Å; L370-L381 HydrophobicContact CD2-CD1 4.29Å; A377-L381 WeakPolarHBondContact O-CB 3.13Å; A377-L381 VanDerWaalsContact O-CG 3.24Å; A377-L381 WeakPolarHBondContact O-CG 3.35Å; A377-L381 PolarHBondContact O-N 3.33Å; V379-L381 PolarHBondContact O-N 3.42Å; L381-M383 PolarHBondContact O-N 3.28Å; L381-H384 PolarHBondContact O-N 3.11Å; L381-N385 VanDerWaalsContact O-CB 3.24Å; L381-N385 WeakPolarHBondContact O-CB 3.45Å; L381-N385 PolarHBondContact O-N 3.34Å; L381-N385 PolarHBondContact O-ND2 3.06Å
382M97.4Very high96.2Very high3 Ų332.7 Ų32.72%0.01518%0.179CC..Hα-helixtrans-65.8-40.6179.5-166.261.7-175.700111.8V48 P49 H50 L51 F282 T285 G378 V379 H384 T386V48-M382 HydrophobicContact CG1-CE 3.58Å; V48-M382 HydrophobicContact CG1-CG 4.29Å; P49-M382 WeakPolarHBondContact O-CG 3.49Å; H50-M382 HydrophobicContact CB-CB 4.27Å; L51-M382 HydrophobicContact CD1-CG 4.12Å; L51-M382 HydrophobicContact CD2-CB 4.23Å; L51-M382 HydrophobicContact CG-CB 4.34Å; L51-M382 HydrophobicContact CG-CG 4.08Å; F282-M382 HydrophobicContact CB-CE 4.15Å; F282-M382 HydrophobicContact CB-SD 4.41Å; T285-M382 HydrophobicContact CG2-CB 4.15Å; G378-M382 VanDerWaalsContact O-CB 3.32Å; G378-M382 WeakPolarHBondContact O-CB 3.43Å; G378-M382 PolarHBondContact O-N 3.16Å; V379-M382 PolarHBondContact O-N 3.07Å; M382-H384 VanDerWaalsContact C-N 3.34Å; M382-H384 PolarHBondContact O-N 3.42Å; M382-T386 WeakPolarHBondContact CE-OG1 3.2Å; M382-T386 WeakPolarHBondContact O-CB 3.47Å; M382-T386 PolarHBondContact O-N 2.95Å; M382-T386 PolarHBondContact O-OG1 3.35Å
383M96.6Very high96.1Very high8 Ų829.9 Ų29.94%0.03916%0.162CC..Hα-helixtrans-57.6-47.3173.6-70.4-17884.600111.5L51 T55 L59 Y356 V379 L381 S387L51-M383 HydrophobicContact CD2-CG 3.57Å; T55-M383 HydrophobicContact CG2-CE 3.62Å; T55-M383 HydrophobicContact CG2-CG 4.06Å; T55-M383 HydrophobicContact CG2-SD 3.66Å; L59-M383 HydrophobicContact CD2-CB 4.18Å; L59-M383 HydrophobicContact CD2-CE 3.98Å; L59-M383 HydrophobicContact CD2-CG 4.46Å; Y356-M383 HydrophobicContact CD1-CE 4.21Å; Y356-M383 HydrophobicContact CD1-SD 4.11Å; Y356-M383 HydrophobicContact CG-CE 3.88Å; Y356-M383 HydrophobicContact CG-SD 4.39Å; V379-M383 VanDerWaalsContact O-CG 3.32Å; V379-M383 WeakPolarHBondContact O-CG 3.4Å; V379-M383 PolarHBondContact O-N 2.85Å; L381-M383 PolarHBondContact O-N 3.28Å; M383-S387 VanDerWaalsContact O-CB 3.27Å; M383-S387 WeakPolarHBondContact O-CB 3.36Å; M383-S387 PolarHBondContact O-N 2.76Å
384H96.7Very high96.1Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-65.3-54.7178.5173.768.1000112L291 L349 C355 C357 C358 L380 L381 M382 T386 S387 H388L291-H384 PolarHBondContact O-NE2 3.32Å; L349-H384 HydrophobicContact CD1-CB 3.92Å; C355-H384 PolarHBondContact SG-ND1 3.15Å; C355-H384 VanDerWaalsContact SG-ND1 3.44Å; C357-H384 HydrophobicContact CB-CB 4.22Å; C358-H384 PolarHBondContact SG-ND1 3.31Å; C358-H384 VanDerWaalsContact SG-ND1 3.41Å; L380-H384 PolarHBondContact O-N 2.91Å; L380-H384 VanDerWaalsContact O-N 3.09Å; L381-H384 PolarHBondContact O-N 3.11Å; M382-H384 VanDerWaalsContact C-N 3.34Å; M382-H384 PolarHBondContact O-N 3.42Å; H384-T386 VanDerWaalsContact C-N 3.34Å; H384-T386 PolarHBondContact O-N 3.15Å; H384-S387 PolarHBondContact O-N 2.81Å; H384-H388 AromaticContact CE1-ND1 3.93Å; H384-H388 VanDerWaalsContact O-CB 3.3Å; H384-H388 WeakPolarHBondContact O-CB 3.45Å; H384-H388 PolarHBondContact O-N 2.89Å
385N97.1Very high95.9Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-61.7-41.7-174.2-71.2-22000111.6P281 T285 C289 A290 L291 L381 Y389P281-N385 HydrophobicContact CB-CB 3.89Å; T285-N385 PolarHBondContact OG1-ND2 3.25Å; C289-N385 PolarHBondContact O-ND2 3.15Å; A290-N385 WeakPolarHBondContact CA-OD1 3.34Å; L291-N385 HydrophobicContact CD1-CB 4.16Å; L291-N385 HydrophobicContact CG-CB 4.26Å; L291-N385 PolarHBondContact N-OD1 3.46Å; L381-N385 VanDerWaalsContact O-CB 3.24Å; L381-N385 WeakPolarHBondContact O-CB 3.45Å; L381-N385 PolarHBondContact O-N 3.34Å; L381-N385 PolarHBondContact O-ND2 3.06Å; N385-Y389 VanDerWaalsContact O-CB 3.23Å; N385-Y389 WeakPolarHBondContact O-CB 3.45Å; N385-Y389 PolarHBondContact O-N 2.84Å
386T95.4Very high95.9Very high4 Ų416.2 Ų16.23%0.0259%0.086CC..Hα-helixtrans-62.2-50.6175.2-560000110.7L41 L59 L62 M382 H384 H388 Y389 H390L41-T386 HydrophobicContact CD1-CG2 4.33Å; L59-T386 HydrophobicContact CD1-CG2 4.25Å; L62-T386 HydrophobicContact CD2-CG2 4.17Å; M382-T386 WeakPolarHBondContact CE-OG1 3.2Å; M382-T386 WeakPolarHBondContact O-CB 3.47Å; M382-T386 PolarHBondContact O-N 2.95Å; M382-T386 PolarHBondContact O-OG1 3.35Å; H384-T386 VanDerWaalsContact C-N 3.34Å; H384-T386 PolarHBondContact O-N 3.15Å; T386-H388 PolarHBondContact O-N 3.32Å; T386-Y389 PolarHBondContact O-N 3.37Å; T386-H390 WeakPolarHBondContact CG2-NE2 3.43Å; T386-H390 PolarHBondContact O-CD2 3.29Å; T386-H390 PolarHBondContact O-N 3.3Å
387S94.5Very high95.8Very high9 Ų915.2 Ų15.26%0.0638%0.077CC..Hα-helixtrans-62.1-41.4179.2-173.40000112.8M383 H384 S391M383-S387 VanDerWaalsContact O-CB 3.27Å; M383-S387 WeakPolarHBondContact O-CB 3.36Å; M383-S387 PolarHBondContact O-N 2.76Å; H384-S387 PolarHBondContact O-N 2.81Å; S387-S391 WeakPolarHBondContact O-CB 3.5Å; S387-S391 PolarHBondContact O-N 2.78Å; S387-S391 PolarHBondContact O-OG 3.13Å
388H95.3Very high95.7Very high6 Ų619.8 Ų19.83%0.02810%0.098CC..Hα-helixtrans-65.1-44.9-179.8-164.785.5000110.7L291 F293 F295 H384 T386 S391 F392L291-H388 HydrophobicContact CB-CB 4.38Å; F293-H388 AromaticContact CD1-NE2 3.91Å; F293-H388 AromaticContact CE1-CD2 3.68Å; F293-H388 AromaticContact CE1-NE2 3.93Å; F293-H388 PolarHBondContact O-CE1 3.4Å; F293-H388 PolarHBondContact O-NE2 2.97Å; F295-H388 AromaticContact CD1-NE2 3.95Å; F295-H388 AromaticContact CE1-CD2 3.68Å; F295-H388 AromaticContact CE1-CE1 3.54Å; F295-H388 AromaticContact CE1-ND1 4Å; F295-H388 AromaticContact CE1-NE2 3.34Å; F295-H388 VanDerWaalsContact CE1-NE2 3.34Å; F295-H388 WeakPolarHBondContact CE1-NE2 3.23Å; H384-H388 AromaticContact CE1-ND1 3.93Å; H384-H388 VanDerWaalsContact O-CB 3.3Å; H384-H388 WeakPolarHBondContact O-CB 3.45Å; H384-H388 PolarHBondContact O-N 2.89Å; T386-H388 PolarHBondContact O-N 3.32Å; H388-S391 WeakPolarHBondContact O-CB 3.41Å; H388-S391 PolarHBondContact O-N 2.85Å; H388-F392 PolarHBondContact O-N 3.43Å
389Y95.8Very high95.6Very high0 Ų019.2 Ų19.20%09%0.092CC..Hα-helixtrans-69.9-38.3-178.2-164.9-108000113C39 G260 F280 P281 L291 N385 T386 F392 F393C39-Y389 HydrophobicContact CB-CE1 4.32Å; G260-Y389 WeakPolarHBondContact CA-OH 3.47Å; G260-Y389 VanDerWaalsContact O-CE2 3.3Å; G260-Y389 WeakPolarHBondContact O-CE2 3.41Å; G260-Y389 VanDerWaalsContact O-CZ 3.31Å; G260-Y389 PolarHBondContact O-OH 3.38Å; F280-Y389 HydrophobicContact CB-CE2 4.41Å; F280-Y389 HydrophobicContact CD1-CD2 4.2Å; F280-Y389 AromaticContact CD1-CE2 3.86Å; F280-Y389 HydrophobicContact CD1-CE2 3.86Å; P281-Y389 VanDerWaalsContact CG-CB 3.47Å; P281-Y389 HydrophobicContact CG-CD1 3.62Å; P281-Y389 HydrophobicContact CG-CD2 4.11Å; P281-Y389 HydrophobicContact CG-CE1 4.36Å; P281-Y389 HydrophobicContact CG-CG 3.48Å; P281-Y389 VanDerWaalsContact CG-CG 3.48Å; L291-Y389 HydrophobicContact CD1-CD2 4.24Å; N385-Y389 VanDerWaalsContact O-CB 3.23Å; N385-Y389 WeakPolarHBondContact O-CB 3.45Å; N385-Y389 PolarHBondContact O-N 2.84Å; T386-Y389 PolarHBondContact O-N 3.37Å; Y389-F392 HydrophobicContact CD2-CD1 4.37Å; Y389-F392 HydrophobicContact CE2-CD1 4.32Å; Y389-F392 WeakPolarHBondContact O-CB 3.32Å; Y389-F392 PolarHBondContact O-N 3.09Å; Y389-F393 HydrophobicContact CD1-CD2 4.29Å; Y389-F393 HydrophobicContact CD1-CE2 4.1Å; Y389-F393 HydrophobicContact CE1-CD2 4.11Å; Y389-F393 AromaticContact CE1-CE2 3.47Å; Y389-F393 HydrophobicContact CE1-CE2 3.47Å; Y389-F393 VanDerWaalsContact CE1-CE2 3.47Å; Y389-F393 HydrophobicContact CE1-CZ 4.5Å; Y389-F393 HydrophobicContact CE2-CE2 4.44Å; Y389-F393 AromaticContact CZ-CE2 3.66Å; Y389-F393 WeakPolarHBondContact O-CD2 3.43Å; Y389-F393 PolarHBondContact O-N 2.8Å
390H93.3Very high95.3Very high19 Ų1917.3 Ų17.39%0.0888%0.08CC..Hα-helixtrans-68.4-35.9172.8-65.5-44.5000112.6C39 P63 T386 F392 F393 R394C39-H390 PolarHBondContact SG-CE1 2.8Å; C39-H390 PolarHBondContact SG-ND1 2.95Å; P63-H390 WeakPolarHBondContact CD-CE1 3.5Å; P63-H390 WeakPolarHBondContact CD-NE2 3.23Å; P63-H390 WeakPolarHBondContact CG-CE1 3.5Å; P63-H390 WeakPolarHBondContact CG-ND1 3.37Å; T386-H390 WeakPolarHBondContact CG2-NE2 3.43Å; T386-H390 PolarHBondContact O-CD2 3.29Å; T386-H390 PolarHBondContact O-N 3.3Å; H390-F392 VanDerWaalsContact C-N 3.28Å; H390-F392 PolarHBondContact O-N 2.88Å; H390-F393 PolarHBondContact O-N 3.46Å; H390-R394 PolarHBondContact O-N 3.15Å
391S93.6Very high95.1Very high32 Ų3219.4 Ų19.422%0.22410%0.098CC..Hα-helixtrans-62.8-37173.1-600000111.7S387 H388 R394 A395S387-S391 WeakPolarHBondContact O-CB 3.5Å; S387-S391 PolarHBondContact O-N 2.78Å; S387-S391 PolarHBondContact O-OG 3.13Å; H388-S391 WeakPolarHBondContact O-CB 3.41Å; H388-S391 PolarHBondContact O-N 2.85Å; S391-R394 WeakPolarHBondContact O-CB 3.36Å; S391-R394 PolarHBondContact O-N 3.21Å; S391-A395 PolarHBondContact O-N 3.33Å
392F95.2Very high94.8Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-59-47.9171.4160.1-114000112.2P262 V265 L266 F293 F295 H388 Y389 H390 R394 A395 V396 V412P262-F392 HydrophobicContact CB-CE1 4.21Å; P262-F392 HydrophobicContact CB-CE2 4.46Å; P262-F392 HydrophobicContact CB-CZ 4.05Å; V265-F392 HydrophobicContact CB-CE1 4.19Å; V265-F392 HydrophobicContact CB-CZ 4.37Å; V265-F392 HydrophobicContact CG1-CE1 3.87Å; V265-F392 HydrophobicContact CG1-CZ 4.13Å; L266-F392 HydrophobicContact CD1-CE2 4.5Å; L266-F392 HydrophobicContact CD2-CE2 4.12Å; L266-F392 HydrophobicContact CD2-CZ 4.18Å; L266-F392 HydrophobicContact CG-CE2 4.22Å; L266-F392 HydrophobicContact CG-CZ 4.04Å; F293-F392 HydrophobicContact CE2-CB 3.94Å; F293-F392 HydrophobicContact CE2-CD1 4.44Å; F293-F392 AromaticContact CE2-CD2 3.74Å; F293-F392 HydrophobicContact CE2-CD2 3.74Å; F293-F392 HydrophobicContact CE2-CE2 4.35Å; F293-F392 AromaticContact CE2-CG 3.78Å; F293-F392 HydrophobicContact CE2-CG 3.78Å; F293-F392 HydrophobicContact CZ-CB 3.91Å; F293-F392 HydrophobicContact CZ-CD1 4.29Å; F293-F392 HydrophobicContact CZ-CD2 4.35Å; F293-F392 AromaticContact CZ-CG 3.93Å; F293-F392 HydrophobicContact CZ-CG 3.93Å; F295-F392 HydrophobicContact CB-CD2 4.15Å; F295-F392 HydrophobicContact CD1-CB 3.78Å; F295-F392 HydrophobicContact CD1-CD2 4.48Å; F295-F392 HydrophobicContact CE1-CB 3.98Å; F295-F392 HydrophobicContact CG-CB 4.25Å; F295-F392 HydrophobicContact CG-CD2 4.49Å; H388-F392 PolarHBondContact O-N 3.43Å; Y389-F392 HydrophobicContact CD2-CD1 4.37Å; Y389-F392 HydrophobicContact CE2-CD1 4.32Å; Y389-F392 WeakPolarHBondContact O-CB 3.32Å; Y389-F392 PolarHBondContact O-N 3.09Å; H390-F392 VanDerWaalsContact C-N 3.28Å; H390-F392 PolarHBondContact O-N 2.88Å; F392-R394 VanDerWaalsContact C-N 3.28Å; F392-R394 PolarHBondContact O-N 3.02Å; F392-A395 WeakPolarHBondContact O-CB 3.37Å; F392-A395 PolarHBondContact O-N 3.38Å; F392-A395 VanDerWaalsContact O-N 3.08Å; F392-V396 HydrophobicContact CD2-CG2 4.06Å; F392-V396 HydrophobicContact CE1-CG2 4.41Å; F392-V396 HydrophobicContact CE2-CG2 3.6Å; F392-V396 HydrophobicContact CZ-CG2 3.8Å; F392-V396 WeakPolarHBondContact O-CG2 3.44Å; F392-V396 PolarHBondContact O-N 2.93Å; F392-V412 HydrophobicContact CD2-CG2 4.49Å; F392-V412 HydrophobicContact CE2-CG2 4.17Å
393F95.6Very high94.5Very high3 Ų329.3 Ų29.31%0.01315%0.151CC..Hα-helixtrans-62.3-34.6176.2-88.3-86000113.1C39 V265 F276 Y389 H390 V396 R397C39-F393 HydrophobicContact CB-CD2 3.94Å; C39-F393 HydrophobicContact CB-CE1 4.23Å; C39-F393 HydrophobicContact CB-CE2 3.56Å; C39-F393 HydrophobicContact CB-CG 4.42Å; C39-F393 HydrophobicContact CB-CZ 3.71Å; C39-F393 VanDerWaalsContact SG-CD2 3.51Å; V265-F393 HydrophobicContact CG1-CE1 3.84Å; V265-F393 HydrophobicContact CG1-CE2 4.3Å; V265-F393 HydrophobicContact CG1-CZ 3.52Å; V265-F393 HydrophobicContact CG2-CZ 4.35Å; F276-F393 HydrophobicContact CB-CE1 4.42Å; F276-F393 HydrophobicContact CB-CZ 3.87Å; F276-F393 AromaticContact CD2-CE1 3.6Å; F276-F393 HydrophobicContact CD2-CE1 3.6Å; F276-F393 AromaticContact CD2-CZ 3.78Å; F276-F393 HydrophobicContact CD2-CZ 3.78Å; F276-F393 HydrophobicContact CE2-CE1 4.2Å; F276-F393 HydrophobicContact CG-CE1 4.23Å; F276-F393 AromaticContact CG-CZ 3.93Å; F276-F393 HydrophobicContact CG-CZ 3.93Å; Y389-F393 HydrophobicContact CD1-CD2 4.29Å; Y389-F393 HydrophobicContact CD1-CE2 4.1Å; Y389-F393 HydrophobicContact CE1-CD2 4.11Å; Y389-F393 AromaticContact CE1-CE2 3.47Å; Y389-F393 HydrophobicContact CE1-CE2 3.47Å; Y389-F393 VanDerWaalsContact CE1-CE2 3.47Å; Y389-F393 HydrophobicContact CE1-CZ 4.5Å; Y389-F393 HydrophobicContact CE2-CE2 4.44Å; Y389-F393 AromaticContact CZ-CE2 3.66Å; Y389-F393 WeakPolarHBondContact O-CD2 3.43Å; Y389-F393 PolarHBondContact O-N 2.8Å; H390-F393 PolarHBondContact O-N 3.46Å; F393-V396 PolarHBondContact O-N 2.98Å; F393-R397 PolarHBondContact O-N 2.91Å; F393-R397 VanDerWaalsContact O-N 3.11Å; F393-R397 PolarHBondContact O-NH1 2.98Å
394R94.1Very high94.3Very high116 Ų11632.4 Ų32.444%0.43816%0.164SC..Hα-helixtrans-62.7-45.9171.3-171.3-177.168.3-167.9-2.8111.2H390 S391 F392 V396 R397 E398H390-R394 PolarHBondContact O-N 3.15Å; S391-R394 WeakPolarHBondContact O-CB 3.36Å; S391-R394 PolarHBondContact O-N 3.21Å; F392-R394 VanDerWaalsContact C-N 3.28Å; F392-R394 PolarHBondContact O-N 3.02Å; R394-V396 VanDerWaalsContact C-N 3.29Å; R394-V396 PolarHBondContact O-N 3.31Å; R394-R397 PolarHBondContact O-N 2.73Å; R394-R397 VanDerWaalsContact O-N 3.11Å; R394-E398 WeakPolarHBondContact CG-OE1 3.43Å; R394-E398 IonicContact NE-OE1 3.58Å; R394-E398 WeakPolarHBondContact O-CG 3.14Å; R394-E398 PolarHBondContact O-N 3.45Å
395A94.4Very high94Very high7 Ų733 Ų336%0.05817%0.167CC..Hα-helixtrans-61.5-35.7176.400000112.4F295 S391 F392 E398 A399 L408F295-A395 HydrophobicContact CB-CB 4.29Å; F295-A395 HydrophobicContact CD2-CB 3.74Å; F295-A395 HydrophobicContact CG-CB 4.33Å; S391-A395 PolarHBondContact O-N 3.33Å; F392-A395 WeakPolarHBondContact O-CB 3.37Å; F392-A395 PolarHBondContact O-N 3.38Å; F392-A395 VanDerWaalsContact O-N 3.08Å; A395-E398 PolarHBondContact O-N 2.98Å; A395-A399 VanDerWaalsContact O-CB 3.24Å; A395-A399 WeakPolarHBondContact O-CB 3.4Å; A395-A399 PolarHBondContact O-N 3.33Å; A395-L408 HydrophobicContact CB-CD1 4.41Å
396V95.3Very high93.6Very high0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-60.1-47.5171.71760000110.9P37 L266 V269 F392 F393 R394 E398 A399 L400 M405 L408P37-V396 HydrophobicContact CG-CG1 3.62Å; L266-V396 HydrophobicContact CD2-CG2 3.87Å; V269-V396 HydrophobicContact CG1-CG1 4.24Å; V269-V396 HydrophobicContact CG2-CG1 4.48Å; F392-V396 HydrophobicContact CD2-CG2 4.06Å; F392-V396 HydrophobicContact CE1-CG2 4.41Å; F392-V396 HydrophobicContact CE2-CG2 3.6Å; F392-V396 HydrophobicContact CZ-CG2 3.8Å; F392-V396 WeakPolarHBondContact O-CG2 3.44Å; F392-V396 PolarHBondContact O-N 2.93Å; F393-V396 PolarHBondContact O-N 2.98Å; R394-V396 VanDerWaalsContact C-N 3.29Å; R394-V396 PolarHBondContact O-N 3.31Å; V396-E398 PolarHBondContact O-N 3.26Å; V396-A399 PolarHBondContact O-N 3.22Å; V396-L400 HydrophobicContact CG1-CD1 4.23Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 2.93Å; V396-M405 HydrophobicContact CG1-CE 4.25Å; V396-M405 HydrophobicContact CG1-SD 4.31Å; V396-L408 HydrophobicContact CB-CD2 4.22Å; V396-L408 HydrophobicContact CG2-CD2 3.77Å
397R95.3Very high93.5Very high53 Ų5339.2 Ų39.220%0.220%0.2CC..Hα-helixtrans-63.5-42.1177.9-68-164.8-62.9-81.67.9112.4L20 D35 P37 F393 R394 L400 A401L20-R397 HydrophobicContact CD1-CB 3.87Å; L20-R397 HydrophobicContact CD1-CG 4.03Å; D35-R397 VanDerWaalsContact CB-CD 3.5Å; D35-R397 VanDerWaalsContact CB-NE 3.33Å; D35-R397 IonicContact OD2-CZ 2.84Å; D35-R397 IonicContact OD2-NE 3.74Å; D35-R397 IonicContact OD2-NH2 3.48Å; P37-R397 HydrophobicContact CG-CG 4.31Å; P37-R397 WeakPolarHBondContact O-CD 3.48Å; P37-R397 WeakPolarHBondContact O-CG 3.3Å; P37-R397 PolarHBondContact O-NH1 3.32Å; F393-R397 PolarHBondContact O-N 2.91Å; F393-R397 VanDerWaalsContact O-N 3.11Å; F393-R397 PolarHBondContact O-NH1 2.98Å; R394-R397 PolarHBondContact O-N 2.73Å; R394-R397 VanDerWaalsContact O-N 3.11Å; R397-L400 PolarHBondContact O-N 2.88Å; R397-A401 WeakPolarHBondContact O-CB 3.34Å; R397-A401 PolarHBondContact O-N 3.43Å
398E94.3Very high93.4Very high98 Ų9838.8 Ų38.846%0.45820%0.197SC..Hα-helixtrans-64.2-39.7175.5-71.4171.9-167.100112R394 A395 V396 A401 N402R394-E398 WeakPolarHBondContact CG-OE1 3.43Å; R394-E398 IonicContact NE-OE1 3.58Å; R394-E398 WeakPolarHBondContact O-CG 3.14Å; R394-E398 PolarHBondContact O-N 3.45Å; A395-E398 PolarHBondContact O-N 2.98Å; V396-E398 PolarHBondContact O-N 3.26Å; E398-A401 PolarHBondContact O-N 3.34Å; E398-N402 WeakPolarHBondContact O-CB 3.2Å; E398-N402 PolarHBondContact O-N 3.47Å; E398-N402 PolarHBondContact O-ND2 3.27Å
399A93.8Very high93.2Very high2 Ų242.7 Ų42.72%0.01721%0.212CC..Hα-helixtrans-66.7-38.3176.200000112A395 V396 D403 K404 M405 L408A395-A399 VanDerWaalsContact O-CB 3.24Å; A395-A399 WeakPolarHBondContact O-CB 3.4Å; A395-A399 PolarHBondContact O-N 3.33Å; V396-A399 PolarHBondContact O-N 3.22Å; A399-D403 PolarHBondContact O-N 2.75Å; A399-K404 PolarHBondContact O-N 2.88Å; A399-M405 HydrophobicContact CB-CG 4.42Å; A399-M405 HydrophobicContact CB-SD 3.68Å; A399-L408 HydrophobicContact CB-CB 3.99Å; A399-L408 HydrophobicContact CB-CD2 3.73Å; A399-L408 HydrophobicContact CB-CG 4.46Å
400L92.9Very high92.9Very high0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-65.6-43.2172.8-74.8170.7000112.3K12 V14 C18 L20 P37 V269 V396 R397 N402 D403 M405K12-L400 PolarHBondContact NZ-O 3.43Å; V14-L400 HydrophobicContact CB-CD2 4.26Å; V14-L400 HydrophobicContact CG2-CD2 4.26Å; C18-L400 HydrophobicContact CB-CD2 3.47Å; C18-L400 VanDerWaalsContact CB-CD2 3.47Å; L20-L400 HydrophobicContact CB-CB 4.34Å; L20-L400 HydrophobicContact CD1-CB 4.31Å; L20-L400 HydrophobicContact CD2-CB 4.4Å; P37-L400 VanDerWaalsContact CD-CD1 3.46Å; P37-L400 HydrophobicContact CG-CD1 3.63Å; V269-L400 HydrophobicContact CG1-CD1 4.15Å; V396-L400 HydrophobicContact CG1-CD1 4.23Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 2.93Å; R397-L400 PolarHBondContact O-N 2.88Å; L400-N402 VanDerWaalsContact C-N 3.28Å; L400-N402 PolarHBondContact O-N 3.2Å; L400-D403 PolarHBondContact O-N 2.86Å; L400-M405 HydrophobicContact CD2-CE 4.44Å; L400-M405 HydrophobicContact CD2-CG 3.46Å; L400-M405 VanDerWaalsContact CD2-CG 3.46Å; L400-M405 HydrophobicContact CD2-SD 3.84Å; L400-M405 HydrophobicContact CG-CG 3.92Å; L400-M405 HydrophobicContact CG-SD 3.69Å
401A93.2Very high92.8Very high48 Ų4850.4 Ų50.440%0.39724%0.24SC..Hα-helixtrans-59.7-42.3177.900000111.3K12 L20 R397 E398K12-A401 PolarHBondContact NZ-O 3.2Å; L20-A401 HydrophobicContact CD2-CB 3.87Å; R397-A401 WeakPolarHBondContact O-CB 3.34Å; R397-A401 PolarHBondContact O-N 3.43Å; E398-A401 PolarHBondContact O-N 3.34Å
402N92.3Very high92.7Very high106 Ų10649.2 Ų49.257%0.56723%0.231SC*.THydrogen-bonded Turntrans-95.47.3-174.9-64.2-60.3000115.2E398 L400 K404E398-N402 WeakPolarHBondContact O-CB 3.2Å; E398-N402 PolarHBondContact O-N 3.47Å; E398-N402 PolarHBondContact O-ND2 3.27Å; L400-N402 VanDerWaalsContact C-N 3.28Å; L400-N402 PolarHBondContact O-N 3.2Å; N402-K404 VanDerWaalsContact C-N 3.28Å; N402-K404 HydrophobicContact CB-CD 4.41Å; N402-K404 HydrophobicContact CB-CG 4.26Å; N402-K404 WeakPolarHBondContact O-CG 3.3Å; N402-K404 PolarHBondContact O-N 3.17Å
403D90.3Very high92.3Very high104 Ų10450.9 Ų50.956%0.55624%0.24SC*.THydrogen-bonded Turntrans56.235.8-177-59.7-49.3000114.3K12 A399 L400K12-D403 WeakPolarHBondContact CE-OD1 3.38Å; K12-D403 IonicContact NZ-OD1 3.7Å; K12-D403 PolarHBondContact NZ-OD1 3.3Å; K12-D403 IonicContact NZ-OD2 3.79Å; K12-D403 PolarHBondContact NZ-OD2 3.37Å; A399-D403 PolarHBondContact O-N 2.75Å; L400-D403 PolarHBondContact O-N 2.86Å
404K91.5Very high91.5Very high73 Ų7353.6 Ų53.632%0.31727%0.269SS..  trans-11122.6-179.1-63.4-174.7-177.5177.50114V297 A399 N402 D406 L407 L408V297-K404 HydrophobicContact CG1-CB 3.73Å; V297-K404 HydrophobicContact CG1-CD 3.8Å; V297-K404 HydrophobicContact CG1-CG 4.42Å; A399-K404 PolarHBondContact O-N 2.88Å; N402-K404 VanDerWaalsContact C-N 3.28Å; N402-K404 HydrophobicContact CB-CD 4.41Å; N402-K404 HydrophobicContact CB-CG 4.26Å; N402-K404 WeakPolarHBondContact O-CG 3.3Å; N402-K404 PolarHBondContact O-N 3.17Å; K404-D406 VanDerWaalsContact C-N 3.32Å; K404-D406 PolarHBondContact O-N 2.88Å; K404-L407 HydrophobicContact CB-CB 4.43Å; K404-L407 WeakPolarHBondContact O-CB 3.33Å; K404-L407 PolarHBondContact O-N 3.14Å; K404-L408 PolarHBondContact O-N 3.39Å
405M90.6Very high89.9Confident12 Ų1252 Ų526%0.05927%0.272CS..Hα-helixtrans-57.5-40.9-179.3-78.6-59.1-68.300113.3L266 V269 V396 A399 L400 L407 L408 R409L266-M405 HydrophobicContact CD2-CE 3.86Å; V269-M405 HydrophobicContact CG1-CE 4.45Å; V396-M405 HydrophobicContact CG1-CE 4.25Å; V396-M405 HydrophobicContact CG1-SD 4.31Å; A399-M405 HydrophobicContact CB-CG 4.42Å; A399-M405 HydrophobicContact CB-SD 3.68Å; L400-M405 HydrophobicContact CD2-CE 4.44Å; L400-M405 HydrophobicContact CD2-CG 3.46Å; L400-M405 VanDerWaalsContact CD2-CG 3.46Å; L400-M405 HydrophobicContact CD2-SD 3.84Å; L400-M405 HydrophobicContact CG-CG 3.92Å; L400-M405 HydrophobicContact CG-SD 3.69Å; M405-L407 VanDerWaalsContact C-N 3.27Å; M405-L407 PolarHBondContact O-N 3.27Å; M405-L408 PolarHBondContact O-N 3.35Å; M405-L408 HydrophobicContact SD-CD2 4.19Å; M405-R409 WeakPolarHBondContact O-CB 3.36Å; M405-R409 PolarHBondContact O-N 3.46Å
406D90Very high87.5Confident76 Ų7654.2 Ų54.241%0.40628%0.283SS..Hα-helixtrans-62.8-32.8176.2-80.7-53.2000113.5K404 R409 R410K404-D406 VanDerWaalsContact C-N 3.32Å; K404-D406 PolarHBondContact O-N 2.88Å; D406-R409 IonicContact OD1-CZ 3.79Å; D406-R409 IonicContact OD1-NE 2.89Å; D406-R409 IonicContact OD1-NH2 3.8Å; D406-R409 PolarHBondContact OD1-NH2 2.97Å; D406-R410 WeakPolarHBondContact O-CG 3.36Å; D406-R410 PolarHBondContact O-N 2.86Å; D406-R410 VanDerWaalsContact O-N 3.17Å; D406-R410 PolarHBondContact O-NE 2.89Å
407L91.6Very high84.6Confident59 Ų5960.4 Ų60.431%0.30932%0.321SS..Hα-helixtrans-72.3-46.4176.3-177.162.5000110.4V297 K404 M405 R409 R410 R411 L416V297-L407 HydrophobicContact CG1-CB 4.14Å; V297-L407 HydrophobicContact CG1-CD2 3.56Å; V297-L407 HydrophobicContact CG1-CG 3.91Å; K404-L407 HydrophobicContact CB-CB 4.43Å; K404-L407 WeakPolarHBondContact O-CB 3.33Å; K404-L407 PolarHBondContact O-N 3.14Å; M405-L407 VanDerWaalsContact C-N 3.27Å; M405-L407 PolarHBondContact O-N 3.27Å; L407-R409 VanDerWaalsContact C-N 3.33Å; L407-R409 PolarHBondContact O-N 2.96Å; L407-R410 PolarHBondContact O-N 2.91Å; L407-R411 WeakPolarHBondContact O-CB 3.45Å; L407-R411 PolarHBondContact O-N 3Å; L407-L416 HydrophobicContact CD1-CD1 3.92Å; L407-L416 HydrophobicContact CD1-CD2 4.31Å
408L92.8Very high81.7Confident0 Ų067.2 Ų67.20%036%0.355CS..Hα-helixtrans-56.6-47.917517864000111.1L266 F295 V297 A395 V396 A399 K404 M405 R410 R411 V412L266-L408 HydrophobicContact CD2-CD2 3.95Å; L266-L408 HydrophobicContact CD2-CG 4.37Å; F295-L408 HydrophobicContact CB-CD1 3.8Å; F295-L408 VanDerWaalsContact O-CD1 3.25Å; F295-L408 WeakPolarHBondContact O-CD1 3.35Å; V297-L408 HydrophobicContact CG2-CB 3.91Å; V297-L408 HydrophobicContact CG2-CD1 3.69Å; V297-L408 HydrophobicContact CG2-CG 4.35Å; A395-L408 HydrophobicContact CB-CD1 4.41Å; V396-L408 HydrophobicContact CB-CD2 4.22Å; V396-L408 HydrophobicContact CG2-CD2 3.77Å; A399-L408 HydrophobicContact CB-CB 3.99Å; A399-L408 HydrophobicContact CB-CD2 3.73Å; A399-L408 HydrophobicContact CB-CG 4.46Å; K404-L408 PolarHBondContact O-N 3.39Å; M405-L408 PolarHBondContact O-N 3.35Å; M405-L408 HydrophobicContact SD-CD2 4.19Å; L408-R410 PolarHBondContact O-N 3.22Å; L408-R411 WeakPolarHBondContact O-CB 3.12Å; L408-R411 PolarHBondContact O-N 3.17Å; L408-R411 VanDerWaalsContact O-N 3.15Å; L408-V412 HydrophobicContact CD1-CG2 4Å; L408-V412 HydrophobicContact CG-CG2 4.35Å; L408-V412 WeakPolarHBondContact O-CG2 3.14Å; L408-V412 PolarHBondContact O-N 3.16Å
409R91.1Very high81.1Confident89 Ų8965.7 Ų65.734%0.33635%0.35SS..Hα-helixtrans-56.9-50178.2-177.1176.462.599.8-1.3111.3L266 M405 D406 L407 R411 V412 L413L266-R409 HydrophobicContact CD1-CB 4.42Å; M405-R409 WeakPolarHBondContact O-CB 3.36Å; M405-R409 PolarHBondContact O-N 3.46Å; D406-R409 IonicContact OD1-CZ 3.79Å; D406-R409 IonicContact OD1-NE 2.89Å; D406-R409 IonicContact OD1-NH2 3.8Å; D406-R409 PolarHBondContact OD1-NH2 2.97Å; L407-R409 VanDerWaalsContact C-N 3.33Å; L407-R409 PolarHBondContact O-N 2.96Å; R409-R411 VanDerWaalsContact C-N 3.29Å; R409-R411 PolarHBondContact O-N 2.93Å; R409-V412 PolarHBondContact O-N 3.19Å; R409-L413 HydrophobicContact CG-CD1 3.67Å; R409-L413 HydrophobicContact CG-CG 4.25Å; R409-L413 WeakPolarHBondContact O-CB 3.4Å; R409-L413 WeakPolarHBondContact O-CG 3.28Å; R409-L413 PolarHBondContact O-N 2.74Å
410R89.8Confident80.4Confident109 Ų10969 Ų6941%0.41137%0.367SS..Hα-helixtrans-63.9-33.8178.4-66.8-179.1-73.3178.1-0.9113D406 L407 L408 G414 T415 L416D406-R410 WeakPolarHBondContact O-CG 3.36Å; D406-R410 PolarHBondContact O-N 2.86Å; D406-R410 VanDerWaalsContact O-N 3.17Å; D406-R410 PolarHBondContact O-NE 2.89Å; L407-R410 PolarHBondContact O-N 2.91Å; L408-R410 PolarHBondContact O-N 3.22Å; R410-G414 PolarHBondContact O-N 3.21Å; R410-G414 VanDerWaalsContact O-N 3.15Å; R410-T415 WeakPolarHBondContact CA-OG1 3.45Å; R410-T415 PolarHBondContact O-N 2.82Å; R410-T415 PolarHBondContact O-OG1 3.22Å; R410-L416 HydrophobicContact CB-CD1 4.13Å; R410-L416 HydrophobicContact CB-CD2 4.5Å; R410-L416 HydrophobicContact CB-CG 3.77Å; R410-L416 PolarHBondContact O-N 3.44Å
411R91.1Very high79.7Confident71 Ų7172.8 Ų72.827%0.26839%0.388SS..Hα-helixtrans-66.6-48.5176-159.978.4168.2155.31.6111.7R294 L407 L408 R409 G414 L416 E418R294-R411 HydrophobicContact CB-CG 4.05Å; R294-R411 CarbonylContact O-C 3.53Å; L407-R411 WeakPolarHBondContact O-CB 3.45Å; L407-R411 PolarHBondContact O-N 3Å; L408-R411 WeakPolarHBondContact O-CB 3.12Å; L408-R411 PolarHBondContact O-N 3.17Å; L408-R411 VanDerWaalsContact O-N 3.15Å; R409-R411 VanDerWaalsContact C-N 3.29Å; R409-R411 PolarHBondContact O-N 2.93Å; R411-G414 PolarHBondContact O-N 3.05Å; R411-L416 HydrophobicContact CB-CD1 3.94Å; R411-L416 HydrophobicContact CG-CD1 4.42Å; R411-E418 IonicContact CZ-OE1 3.69Å; R411-E418 IonicContact NH1-OE1 3.63Å; R411-E418 PolarHBondContact NH1-OE1 3.44Å; R411-E418 IonicContact NH2-OE1 2.75Å
412V91.5Very high78.9Confident7 Ų774.3 Ų74.34%0.04239%0.387CS..Hα-helixtrans-65.8-41.6179.3172.20000111.2P262 L266 F293 R294 F295 F333 F392 L408 R409 G414P262-V412 HydrophobicContact CB-CG1 3.82Å; L266-V412 HydrophobicContact CD1-CB 3.92Å; L266-V412 HydrophobicContact CD1-CG1 3.96Å; L266-V412 HydrophobicContact CD1-CG2 4.14Å; F293-V412 HydrophobicContact CD2-CG1 4.1Å; F293-V412 HydrophobicContact CD2-CG2 4.3Å; R294-V412 WeakPolarHBondContact O-CA 3.39Å; R294-V412 WeakPolarHBondContact O-CG2 3.49Å; R294-V412 PolarHBondContact O-N 3.32Å; F295-V412 HydrophobicContact CB-CG2 4.08Å; F333-V412 HydrophobicContact CE1-CG1 3.96Å; F333-V412 WeakPolarHBondContact CE1-O 3.21Å; F392-V412 HydrophobicContact CD2-CG2 4.49Å; F392-V412 HydrophobicContact CE2-CG2 4.17Å; L408-V412 HydrophobicContact CD1-CG2 4Å; L408-V412 HydrophobicContact CG-CG2 4.35Å; L408-V412 WeakPolarHBondContact O-CG2 3.14Å; L408-V412 PolarHBondContact O-N 3.16Å; R409-V412 PolarHBondContact O-N 3.19Å; V412-G414 PolarHBondContact O-N 3.1Å
413L87.2Confident78.1Confident35 Ų3572.3 Ų72.318%0.18338%0.376CS..THydrogen-bonded Turntrans-77.2-5.2179.2-58.4177.8000113.5D263 R332 R409 T415D263-L413 HydrophobicContact CB-CD2 3.39Å; R332-L413 PolarHBondContact NH1-O 3.05Å; R409-L413 HydrophobicContact CG-CD1 3.67Å; R409-L413 HydrophobicContact CG-CG 4.25Å; R409-L413 WeakPolarHBondContact O-CB 3.4Å; R409-L413 WeakPolarHBondContact O-CG 3.28Å; R409-L413 PolarHBondContact O-N 2.74Å; L413-T415 HydrophobicContact CB-CG2 4.09Å; L413-T415 PolarHBondContact O-N 3.11Å
414G78.6Confident77.3Confident61 Ų6170.2 Ų70.263%0.62936%0.364SS*.THydrogen-bonded Turntrans63.824.6-176.300000113.9R410 R411 V412R410-G414 PolarHBondContact O-N 3.21Å; R410-G414 VanDerWaalsContact O-N 3.15Å; R411-G414 PolarHBondContact O-N 3.05Å; V412-G414 PolarHBondContact O-N 3.1Å
415T59.7Low76.2Confident82 Ų8270 Ų7050%0.50337%0.367SS..  trans-95.2-1.9179.356.90000113.4R410 L413 T417R410-T415 WeakPolarHBondContact CA-OG1 3.45Å; R410-T415 PolarHBondContact O-N 2.82Å; R410-T415 PolarHBondContact O-OG1 3.22Å; L413-T415 HydrophobicContact CB-CG2 4.09Å; L413-T415 PolarHBondContact O-N 3.11Å; T415-T417 VanDerWaalsContact C-N 3.34Å; T415-T417 PolarHBondContact O-N 3.12Å; T415-T417 VanDerWaalsContact O-N 3.15Å
416L44.2Very low75.1Confident53 Ų5374.5 Ų74.528%0.27739%0.391SS..  trans-72.994.7156.1-77.3158.3000107.3L407 R410 R411 E418L407-L416 HydrophobicContact CD1-CD1 3.92Å; L407-L416 HydrophobicContact CD1-CD2 4.31Å; R410-L416 HydrophobicContact CB-CD1 4.13Å; R410-L416 HydrophobicContact CB-CD2 4.5Å; R410-L416 HydrophobicContact CB-CG 3.77Å; R410-L416 PolarHBondContact O-N 3.44Å; R411-L416 HydrophobicContact CB-CD1 3.94Å; R411-L416 HydrophobicContact CG-CD1 4.42Å; L416-E418 PolarHBondContact O-N 3.33Å
417T34.9Very low73.9Confident131 Ų13174.3 Ų74.380%0.80439%0.389SS*.  trans-61.9113.414945.50000106.1T415T415-T417 VanDerWaalsContact C-N 3.34Å; T415-T417 PolarHBondContact O-N 3.12Å; T415-T417 VanDerWaalsContact O-N 3.15Å
418E34.3Very low72.3Confident195 Ų19575.7 Ų75.791%0.91140%0.397SS*.  trans-58.90170.1-71.6179.2165.500110.6R294 R411 L416R294-E418 IonicContact NH1-OE1 3.37Å; R294-E418 PolarHBondContact NH1-OE1 3.39Å; R411-E418 IonicContact CZ-OE1 3.69Å; R411-E418 IonicContact NH1-OE1 3.63Å; R411-E418 PolarHBondContact NH1-OE1 3.44Å; R411-E418 IonicContact NH2-OE1 2.75Å; L416-E418 PolarHBondContact O-N 3.33Å

Retrieved 418 of 418 residues in 345.1 ms (Link to these results)

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