A0A077Z0T0_TRITR Loading...

LEM and Ank domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0T0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 448 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
1M87.4Confident87.7Confident41 Ų4161.1 Ų61.120%0.20236%0.363CS..  0-53.10-73.2-59.9-75.300110.5L3 L4 A5 L16 R19 L20 A24 P36 L52M1-L3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3Å; M1-A5 PolarHBondContact O-N 3.37Å; M1-A5 VanDerWaalsContact O-N 3.14Å; M1-L16 HydrophobicContact CE-CD1 3.46Å; M1-L16 VanDerWaalsContact CE-CD1 3.46Å; M1-L16 HydrophobicContact SD-CD1 4.07Å; M1-R19 HydrophobicContact SD-CB 3.87Å; M1-L20 HydrophobicContact CE-CD2 3.42Å; M1-L20 VanDerWaalsContact CE-CD2 3.42Å; M1-L20 HydrophobicContact CE-CG 3.8Å; M1-A24 HydrophobicContact CE-CB 4.02Å; M1-A24 HydrophobicContact CG-CB 4.23Å; M1-A24 HydrophobicContact SD-CB 3.74Å; M1-P36 HydrophobicContact CB-CB 4.42Å; M1-P36 HydrophobicContact CB-CG 3.56Å; M1-L52 HydrophobicContact CE-CD2 4.36Å
2H91.8Very high87.7Confident35 Ų3556.3 Ų56.316%0.16234%0.335CS..Hα-helixtrans-44.6-51.5177.5-55.776.7000114.7L4 A5 G6 H28 I34 V39H2-L4 PolarHBondContact O-N 2.96Å; H2-A5 WeakPolarHBondContact O-CB 3.39Å; H2-A5 PolarHBondContact O-N 3.39Å; H2-A5 VanDerWaalsContact O-N 3.17Å; H2-G6 PolarHBondContact O-N 3.21Å; H2-H28 AromaticContact CE1-CD2 3.85Å; H2-H28 PolarHBondContact CE1-O 2.81Å; H2-H28 VanDerWaalsContact CE1-O 3.27Å; H2-H28 PolarHBondContact NE2-O 3.11Å; H2-I34 PolarHBondContact NE2-O 3.21Å; H2-V39 HydrophobicContact CB-CG2 4.23Å
3L90Very high87.8Confident149 Ų14956.1 Ų56.178%0.7833%0.325SS*.Hα-helixtrans-58.1-44.3179.3-67.2174.4000113.1M1 A5 G6 L7M1-L3 PolarHBondContact O-N 3.13Å; L3-A5 VanDerWaalsContact C-N 3.31Å; L3-A5 PolarHBondContact O-N 3.02Å; L3-G6 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-CG 3.26Å; L3-L7 WeakPolarHBondContact O-CG 3.44Å; L3-L7 PolarHBondContact O-N 3.49Å
4L91Very high87.8Confident21 Ų2156.8 Ų56.811%0.1134%0.335CS..Hα-helixtrans-68-35.1-180-68.5-179.4000111.8M1 H2 G6 L7 A12 L16 N48M1-L4 PolarHBondContact O-N 3Å; H2-L4 PolarHBondContact O-N 2.96Å; L4-G6 VanDerWaalsContact C-N 3.29Å; L4-G6 PolarHBondContact O-N 3.29Å; L4-L7 HydrophobicContact CD2-CD1 4.48Å; L4-L7 PolarHBondContact O-N 3.45Å; L4-A12 HydrophobicContact CD2-CB 4.36Å; L4-L16 HydrophobicContact CB-CB 4.24Å; L4-L16 HydrophobicContact CB-CD1 4.05Å; L4-L16 HydrophobicContact CD1-CB 4.39Å; L4-N48 PolarHBondContact O-ND2 2.87Å
5A90.7Very high87.8Confident0 Ų056.1 Ų56.10%033%0.334CS..Hα-helixtrans-63-35.7179.800000112.6M1 H2 L3 P36 V39 A40 R45 N48 L52M1-A5 PolarHBondContact O-N 3.37Å; M1-A5 VanDerWaalsContact O-N 3.14Å; H2-A5 WeakPolarHBondContact O-CB 3.39Å; H2-A5 PolarHBondContact O-N 3.39Å; H2-A5 VanDerWaalsContact O-N 3.17Å; L3-A5 VanDerWaalsContact C-N 3.31Å; L3-A5 PolarHBondContact O-N 3.02Å; A5-P36 HydrophobicContact CB-CB 4Å; A5-P36 WeakPolarHBondContact CB-O 3.35Å; A5-V39 HydrophobicContact CB-CB 4.34Å; A5-A40 HydrophobicContact CB-CB 4.34Å; A5-R45 WeakPolarHBondContact O-CB 3.49Å; A5-R45 WeakPolarHBondContact O-CG 3.37Å; A5-N48 PolarHBondContact O-ND2 2.96Å; A5-L52 HydrophobicContact CB-CD1 3.92Å
6G90Very high88Confident10 Ų1052.6 Ų52.610%0.10331%0.313CS..Hα-helixtrans-85.6-8.4-179.800000115.8H2 L3 L4 R45H2-G6 PolarHBondContact O-N 3.21Å; L3-G6 PolarHBondContact O-N 3.47Å; L4-G6 VanDerWaalsContact C-N 3.29Å; L4-G6 PolarHBondContact O-N 3.29Å; G6-R45 PolarHBondContact O-NE 2.92Å; G6-R45 PolarHBondContact O-NH2 3.47Å
7L90Very high88Confident90 Ų9053.7 Ų53.747%0.47132%0.315SS..  trans-88132.9-177.6-73.6170.3000111.9L3 L4 S9 A12 N48L3-L7 VanDerWaalsContact O-CG 3.26Å; L3-L7 WeakPolarHBondContact O-CG 3.44Å; L3-L7 PolarHBondContact O-N 3.49Å; L4-L7 HydrophobicContact CD2-CD1 4.48Å; L4-L7 PolarHBondContact O-N 3.45Å; L7-S9 PolarHBondContact O-N 2.89Å; L7-A12 HydrophobicContact CB-CB 3.53Å; L7-A12 HydrophobicContact CD1-CB 4.26Å; L7-N48 PolarHBondContact O-ND2 3.33Å
8D84.4Confident87.9Confident123 Ų12355.9 Ų55.966%0.65832%0.321SS*.  trans-9678.2173.5-170.56.9000110.2R45D8-R45 IonicContact OD2-NH1 2.79Å
9S85.9Confident88Confident51 Ų5159.4 Ų59.436%0.35733%0.329SS..SBendtrans-150.6146.3172.367.60000111.1L7 G11 A12 Y13L7-S9 PolarHBondContact O-N 2.89Å; S9-G11 PolarHBondContact O-N 3.49Å; S9-A12 WeakPolarHBondContact O-CB 3.38Å; S9-A12 PolarHBondContact O-N 2.6Å; S9-A12 VanDerWaalsContact OG-CB 3.23Å; S9-A12 WeakPolarHBondContact OG-CB 3.47Å; S9-A12 PolarHBondContact OG-N 2.81Å; S9-Y13 PolarHBondContact O-N 3.3Å; S9-Y13 VanDerWaalsContact O-N 3.09Å
10P79.9Confident88Confident109 Ų10956.5 Ų56.571%0.70831%0.313SS*.Hα-helixtrans-56.8-32.2174.2-25.133.5000113.1S14P10-S14 WeakPolarHBondContact O-CB 3.29Å; P10-S14 PolarHBondContact O-N 3.37Å; P10-S14 PolarHBondContact O-OG 3.17Å
11G84.2Confident87.9Confident43 Ų4357.5 Ų57.544%0.44332%0.323SS..Hα-helixtrans-67.8-38.4175.400000112.9S9 S15S9-G11 PolarHBondContact O-N 3.49Å; G11-S15 VanDerWaalsContact O-CB 3.29Å; G11-S15 WeakPolarHBondContact O-CB 3.25Å; G11-S15 PolarHBondContact O-N 3.14Å; G11-S15 PolarHBondContact O-OG 3.34Å
12A87.1Confident87.7Confident3 Ų364.6 Ų64.63%0.02535%0.348CS..Hα-helixtrans-66.2-44.9174.700000111.5L4 L7 S9 S14 S15 L16L4-A12 HydrophobicContact CD2-CB 4.36Å; L7-A12 HydrophobicContact CB-CB 3.53Å; L7-A12 HydrophobicContact CD1-CB 4.26Å; S9-A12 WeakPolarHBondContact O-CB 3.38Å; S9-A12 PolarHBondContact O-N 2.6Å; S9-A12 VanDerWaalsContact OG-CB 3.23Å; S9-A12 WeakPolarHBondContact OG-CB 3.47Å; S9-A12 PolarHBondContact OG-N 2.81Å; A12-S14 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-N 3.39Å; A12-L16 WeakPolarHBondContact O-CB 3.29Å; A12-L16 PolarHBondContact O-N 3.23Å
13Y88.6Confident87.2Confident54 Ų5464.8 Ų64.821%0.21236%0.359CS..Hα-helixtrans-57-51175-178.4-86.9000111.5S9 S15 L16 Q17 E47 L51S9-Y13 PolarHBondContact O-N 3.3Å; S9-Y13 VanDerWaalsContact O-N 3.09Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 2.82Å; Y13-L16 WeakPolarHBondContact O-CB 3.28Å; Y13-L16 PolarHBondContact O-N 2.99Å; Y13-L16 VanDerWaalsContact O-N 3.16Å; Y13-Q17 WeakPolarHBondContact O-CB 3.07Å; Y13-Q17 PolarHBondContact O-N 3.39Å; Y13-E47 HydrophobicContact CD2-CB 4.09Å; Y13-E47 HydrophobicContact CE2-CB 4.06Å; Y13-L51 HydrophobicContact CD2-CD2 4.12Å; Y13-L51 HydrophobicContact CE1-CD2 4.49Å; Y13-L51 HydrophobicContact CE2-CB 3.97Å; Y13-L51 HydrophobicContact CE2-CD2 3.86Å; Y13-L51 HydrophobicContact CE2-CG 4.36Å
14S87.9Confident87Confident66 Ų6659 Ų5946%0.46233%0.333SS..Hα-helixtrans-61.1-43.1179.9-55.30000111.9P10 A12 L16 Q17 E18P10-S14 WeakPolarHBondContact O-CB 3.29Å; P10-S14 PolarHBondContact O-N 3.37Å; P10-S14 PolarHBondContact O-OG 3.17Å; A12-S14 PolarHBondContact O-N 2.93Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-Q17 PolarHBondContact O-N 3.3Å; S14-E18 WeakPolarHBondContact O-CB 3.48Å; S14-E18 PolarHBondContact O-N 3.45Å
15S88.6Confident86.8Confident46 Ų4661.1 Ų61.132%0.32235%0.345SS..Hα-helixtrans-67.6-35.3177.2-58.90000112.3G11 A12 Y13 R19G11-S15 VanDerWaalsContact O-CB 3.29Å; G11-S15 WeakPolarHBondContact O-CB 3.25Å; G11-S15 PolarHBondContact O-N 3.14Å; G11-S15 PolarHBondContact O-OG 3.34Å; A12-S15 PolarHBondContact O-N 3.39Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 2.82Å; S15-R19 WeakPolarHBondContact O-CG 3.45Å; S15-R19 PolarHBondContact O-N 2.99Å
16L90.3Very high86.8Confident0 Ų061.3 Ų61.30%035%0.346CS..Hα-helixtrans-67.4-47.5176.9-175.462.2000109.7M1 L4 A12 Y13 S14 E18 R19 L20 N48 L51 L52M1-L16 HydrophobicContact CE-CD1 3.46Å; M1-L16 VanDerWaalsContact CE-CD1 3.46Å; M1-L16 HydrophobicContact SD-CD1 4.07Å; L4-L16 HydrophobicContact CB-CB 4.24Å; L4-L16 HydrophobicContact CB-CD1 4.05Å; L4-L16 HydrophobicContact CD1-CB 4.39Å; A12-L16 WeakPolarHBondContact O-CB 3.29Å; A12-L16 PolarHBondContact O-N 3.23Å; Y13-L16 WeakPolarHBondContact O-CB 3.28Å; Y13-L16 PolarHBondContact O-N 2.99Å; Y13-L16 VanDerWaalsContact O-N 3.16Å; S14-L16 VanDerWaalsContact C-N 3.34Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.33Å; L16-R19 PolarHBondContact O-N 3.35Å; L16-L20 HydrophobicContact CD1-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 4.02Å; L16-L20 WeakPolarHBondContact O-CB 3.22Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 2.89Å; L16-N48 HydrophobicContact CD2-CB 3.89Å; L16-L51 HydrophobicContact CB-CD2 4.25Å; L16-L51 HydrophobicContact CD2-CD2 4.16Å; L16-L51 HydrophobicContact CG-CD2 4.09Å; L16-L52 HydrophobicContact CD1-CD2 4.31Å; L16-L52 HydrophobicContact CD2-CG 4.25Å
17Q88.4Confident86.8Confident72 Ų7261.3 Ų61.334%0.33634%0.344SS..Hα-helixtrans-58-44.7175.4-172.2178.732.900111.8Y13 S14 L20 S21 L51Y13-Q17 WeakPolarHBondContact O-CB 3.07Å; Y13-Q17 PolarHBondContact O-N 3.39Å; S14-Q17 PolarHBondContact O-N 3.3Å; Q17-L20 PolarHBondContact O-N 2.78Å; Q17-S21 WeakPolarHBondContact O-CB 3.41Å; Q17-S21 PolarHBondContact O-N 3.07Å; Q17-S21 PolarHBondContact O-OG 2.68Å; Q17-L51 HydrophobicContact CB-CD1 4.41Å; Q17-L51 HydrophobicContact CB-CD2 3.84Å; Q17-L51 HydrophobicContact CG-CD1 4.24Å
18E86.6Confident86.8Confident93 Ų9362 Ų6244%0.43534%0.344SS..Hα-helixtrans-63.2-42.3177-173-175.3-178.200112.4S14 L16 S21 R22S14-E18 WeakPolarHBondContact O-CB 3.48Å; S14-E18 PolarHBondContact O-N 3.45Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.33Å; E18-S21 WeakPolarHBondContact CA-OG 3.43Å; E18-S21 PolarHBondContact O-N 2.97Å; E18-S21 PolarHBondContact O-OG 3.29Å; E18-R22 VanDerWaalsContact O-CG 3.28Å; E18-R22 WeakPolarHBondContact O-CG 3.42Å; E18-R22 PolarHBondContact O-N 2.94Å; E18-R22 VanDerWaalsContact O-N 3.1Å; E18-R22 IonicContact OE1-CZ 2.69Å; E18-R22 VanDerWaalsContact OE1-CZ 3.26Å; E18-R22 IonicContact OE1-NE 3.15Å; E18-R22 PolarHBondContact OE1-NE 3.45Å; E18-R22 IonicContact OE1-NH2 3.72Å; E18-R22 PolarHBondContact OE1-NH2 2.64Å
19R89.7Confident87.2Confident123 Ų12361.1 Ų61.146%0.46433%0.332SS..Hα-helixtrans-67.2-42.3177.8-75.8178.5-179.3176.6-2.9111.8M1 S15 L16 S21 R22 G23 A24M1-R19 HydrophobicContact SD-CB 3.87Å; S15-R19 WeakPolarHBondContact O-CG 3.45Å; S15-R19 PolarHBondContact O-N 2.99Å; L16-R19 PolarHBondContact O-N 3.35Å; R19-S21 VanDerWaalsContact C-N 3.35Å; R19-R22 CarbonylContact O-C 2.86Å; R19-R22 PolarHBondContact O-N 3.02Å; R19-G23 PolarHBondContact O-N 3.1Å; R19-A24 HydrophobicContact CB-CB 4.08Å; R19-A24 WeakPolarHBondContact O-CB 3.42Å; R19-A24 PolarHBondContact O-N 2.97Å
20L88.3Confident87.4Confident1 Ų161.4 Ų61.41%0.00533%0.33CS..Hα-helixtrans-64.1-40177.2-70.3170.3000111.6M1 L16 Q17 R22 G23 P26 L51 L52 F55M1-L20 HydrophobicContact CE-CD2 3.42Å; M1-L20 VanDerWaalsContact CE-CD2 3.42Å; M1-L20 HydrophobicContact CE-CG 3.8Å; L16-L20 HydrophobicContact CD1-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 4.02Å; L16-L20 WeakPolarHBondContact O-CB 3.22Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 2.89Å; Q17-L20 PolarHBondContact O-N 2.78Å; L20-R22 VanDerWaalsContact C-N 3.29Å; L20-R22 PolarHBondContact O-N 2.99Å; L20-G23 WeakPolarHBondContact O-CA 3.4Å; L20-G23 PolarHBondContact O-N 3.25Å; L20-P26 HydrophobicContact CD2-CB 3.81Å; L20-P26 HydrophobicContact CD2-CG 4.45Å; L20-L51 HydrophobicContact CD1-CD2 4.18Å; L20-L51 HydrophobicContact CD1-CG 3.95Å; L20-L52 HydrophobicContact CD1-CD2 4.13Å; L20-L52 HydrophobicContact CD2-CD2 4.22Å; L20-F55 HydrophobicContact CB-CB 4.18Å; L20-F55 HydrophobicContact CB-CD1 3.51Å; L20-F55 HydrophobicContact CB-CD2 4.11Å; L20-F55 HydrophobicContact CB-CE1 3.82Å; L20-F55 HydrophobicContact CB-CE2 4.38Å; L20-F55 HydrophobicContact CB-CG 3.66Å; L20-F55 HydrophobicContact CB-CZ 4.24Å; L20-F55 HydrophobicContact CD1-CB 4.03Å; L20-F55 HydrophobicContact CD1-CD2 3.95Å; L20-F55 HydrophobicContact CD1-CG 3.96Å; L20-F55 HydrophobicContact CD2-CB 4.05Å; L20-F55 HydrophobicContact CD2-CG 4.46Å; L20-F55 HydrophobicContact CG-CB 4.31Å; L20-F55 HydrophobicContact CG-CG 4.24Å
21S84.2Confident88Confident77 Ų7764 Ų6454%0.53834%0.337SS..Hα-helixtrans-67.1-29.4175.870.30000113.2Q17 E18 R19 G23Q17-S21 WeakPolarHBondContact O-CB 3.41Å; Q17-S21 PolarHBondContact O-N 3.07Å; Q17-S21 PolarHBondContact O-OG 2.68Å; E18-S21 WeakPolarHBondContact CA-OG 3.43Å; E18-S21 PolarHBondContact O-N 2.97Å; E18-S21 PolarHBondContact O-OG 3.29Å; R19-S21 VanDerWaalsContact C-N 3.35Å; S21-G23 PolarHBondContact O-N 3.29Å
22R84.7Confident88.3Confident191 Ų19166.5 Ų66.572%0.72134%0.34SS*.THydrogen-bonded Turntrans-78.73.6170.3-67.1173-177.2-136.85.3113.9E18 R19 L20E18-R22 VanDerWaalsContact O-CG 3.28Å; E18-R22 WeakPolarHBondContact O-CG 3.42Å; E18-R22 PolarHBondContact O-N 2.94Å; E18-R22 VanDerWaalsContact O-N 3.1Å; E18-R22 IonicContact OE1-CZ 2.69Å; E18-R22 VanDerWaalsContact OE1-CZ 3.26Å; E18-R22 IonicContact OE1-NE 3.15Å; E18-R22 PolarHBondContact OE1-NE 3.45Å; E18-R22 IonicContact OE1-NH2 3.72Å; E18-R22 PolarHBondContact OE1-NH2 2.64Å; R19-R22 CarbonylContact O-C 2.86Å; R19-R22 PolarHBondContact O-N 3.02Å; L20-R22 VanDerWaalsContact C-N 3.29Å; L20-R22 PolarHBondContact O-N 2.99Å
23G80.7Confident88.5Confident38 Ų3866.5 Ų66.539%0.39234%0.34SS..THydrogen-bonded Turntrans87.821.9174.800000116.2R19 L20 S21 N25 P214R19-G23 PolarHBondContact O-N 3.1Å; L20-G23 WeakPolarHBondContact O-CA 3.4Å; L20-G23 PolarHBondContact O-N 3.25Å; S21-G23 PolarHBondContact O-N 3.29Å; G23-N25 PolarHBondContact O-N 2.78Å; G23-P214 VanDerWaalsContact CA-CG 3.4Å
24A86.7Confident88.7Confident28 Ų2865.7 Ų65.723%0.23134%0.339CS..  trans-58.2134.3166.600000110.4M1 R19 P26M1-A24 HydrophobicContact CE-CB 4.02Å; M1-A24 HydrophobicContact CG-CB 4.23Å; M1-A24 HydrophobicContact SD-CB 3.74Å; R19-A24 HydrophobicContact CB-CB 4.08Å; R19-A24 WeakPolarHBondContact O-CB 3.42Å; R19-A24 PolarHBondContact O-N 2.97Å; A24-P26 VanDerWaalsContact O-CD 3.29Å; A24-P26 WeakPolarHBondContact O-CD 3.26Å
25N86.8Confident89Confident66 Ų6662.6 Ų62.635%0.35332%0.317SS..  trans-73.3114.7179.4-179.2-1.5000110.4G23 S27 H28G23-N25 PolarHBondContact O-N 2.78Å; N25-S27 PolarHBondContact O-N 3.12Å; N25-S27 PolarHBondContact OD1-N 3.46Å; N25-H28 HydrophobicContact CB-CB 4.28Å; N25-H28 WeakPolarHBondContact O-CB 3.32Å; N25-H28 PolarHBondContact O-N 2.99Å
26P89Confident89.3Confident4 Ų460.4 Ų60.43%0.02630%0.302CS..THydrogen-bonded Turntrans-69.2-18.2179.230.1-36.4000113.3L20 A24 P36 L52 T219L20-P26 HydrophobicContact CD2-CB 3.81Å; L20-P26 HydrophobicContact CD2-CG 4.45Å; A24-P26 VanDerWaalsContact O-CD 3.29Å; A24-P26 WeakPolarHBondContact O-CD 3.26Å; P26-P36 VanDerWaalsContact O-CD 3.28Å; P26-P36 WeakPolarHBondContact O-CD 3.42Å; P26-P36 WeakPolarHBondContact O-CG 3.5Å; P26-L52 HydrophobicContact CB-CD2 3.89Å; P26-T219 HydrophobicContact CG-CG2 4.18Å
27S90Very high89.4Confident10 Ų1060.4 Ų60.47%0.0730%0.302CS..THydrogen-bonded Turntrans-101.315.2179.7-57.70000112.8N25 R29 D58N25-S27 PolarHBondContact O-N 3.12Å; N25-S27 PolarHBondContact OD1-N 3.46Å; S27-R29 PolarHBondContact O-N 3.49Å; S27-D58 PolarHBondContact OG-N 3.36Å
28H90.6Very high89.7Confident103 Ų10357 Ų5748%0.47729%0.286SS..  trans-63.9124.9178.7178.764.1000111.7H2 N25 P36H2-H28 AromaticContact CE1-CD2 3.85Å; H2-H28 PolarHBondContact CE1-O 2.81Å; H2-H28 VanDerWaalsContact CE1-O 3.27Å; H2-H28 PolarHBondContact NE2-O 3.11Å; N25-H28 HydrophobicContact CB-CB 4.28Å; N25-H28 WeakPolarHBondContact O-CB 3.32Å; N25-H28 PolarHBondContact O-N 2.99Å; H28-P36 WeakPolarHBondContact O-CD 3.3Å
29R92.8Very high90.1Very high106 Ų10653.6 Ų53.640%0.427%0.272SS..  trans-87.9137.9-179.5-64-178.5172.7-133.1-8111.6S27 G33 I34 T35 H62S27-R29 PolarHBondContact O-N 3.49Å; R29-G33 WeakPolarHBondContact CG-O 3.34Å; R29-I34 CarbonylContact C-O 3.55Å; R29-I34 WeakPolarHBondContact CA-O 3.33Å; R29-T35 HydrophobicContact CG-CG2 3.92Å; R29-H62 PolarHBondContact NH1-O 3.33Å; R29-H62 PolarHBondContact NH2-O 3.21Å
30N91.2Very high90.3Very high57 Ų5747.8 Ų47.831%0.30525%0.25SC..  trans-81.2-169.916774.8-9000110.6D32 G33 I34N30-D32 PolarHBondContact ND2-OD2 3.11Å; N30-D32 PolarHBondContact O-N 2.97Å; N30-D32 PolarHBondContact OD1-N 3.11Å; N30-G33 PolarHBondContact O-N 3.33Å; N30-G33 VanDerWaalsContact O-N 3.13Å; N30-G33 PolarHBondContact OD1-N 3.33Å; N30-I34 PolarHBondContact N-O 2.95Å; N30-I34 WeakPolarHBondContact OD1-CA 3.42Å; N30-I34 VanDerWaalsContact OD1-CB 3.29Å; N30-I34 WeakPolarHBondContact OD1-CB 3.35Å; N30-I34 PolarHBondContact OD1-N 2.9Å; N30-I34 PolarHBondContact OD1-O 3.47Å
31L92.4Very high90.6Very high164 Ų16447.7 Ų47.786%0.85925%0.249SC*.THydrogen-bonded Turntrans-60-29179.2-67.7173.1000113.4G33 N64L31-G33 VanDerWaalsContact C-N 3.33Å; L31-N64 PolarHBondContact O-ND2 2.99Å
32D90Very high91.1Very high94 Ų9445.7 Ų45.750%0.50324%0.235SC..THydrogen-bonded Turntrans-91.76.1-178.5-48.1-52.6000112.3N30 I34 D63 N64N30-D32 PolarHBondContact ND2-OD2 3.11Å; N30-D32 PolarHBondContact O-N 2.97Å; N30-D32 PolarHBondContact OD1-N 3.11Å; D32-I34 HydrophobicContact CB-CD1 3.96Å; D32-I34 HydrophobicContact CB-CG1 4Å; D32-I34 PolarHBondContact O-N 3.38Å; D32-D63 WeakPolarHBondContact O-CB 3.48Å; D32-N64 WeakPolarHBondContact CA-ND2 3.42Å; D32-N64 WeakPolarHBondContact O-CB 3.37Å; D32-N64 PolarHBondContact O-N 2.94Å; D32-N64 PolarHBondContact O-ND2 3.06Å
33G91.3Very high91.5Very high3 Ų343.7 Ų43.73%0.03123%0.227CC..SBendtrans80.6-2.9-176.300000114.3R29 N30 L31R29-G33 WeakPolarHBondContact CG-O 3.34Å; N30-G33 PolarHBondContact O-N 3.33Å; N30-G33 VanDerWaalsContact O-N 3.13Å; N30-G33 PolarHBondContact OD1-N 3.33Å; L31-G33 VanDerWaalsContact C-N 3.33Å
34I93.4Very high92Very high38 Ų3843 Ų4320%0.19522%0.22CC..  trans-70.2135-176.9-58.7174.1000110.1H2 R29 N30 D32 H38 V39 D63H2-I34 PolarHBondContact NE2-O 3.21Å; R29-I34 CarbonylContact C-O 3.55Å; R29-I34 WeakPolarHBondContact CA-O 3.33Å; N30-I34 PolarHBondContact N-O 2.95Å; N30-I34 WeakPolarHBondContact OD1-CA 3.42Å; N30-I34 VanDerWaalsContact OD1-CB 3.29Å; N30-I34 WeakPolarHBondContact OD1-CB 3.35Å; N30-I34 PolarHBondContact OD1-N 2.9Å; N30-I34 PolarHBondContact OD1-O 3.47Å; D32-I34 HydrophobicContact CB-CD1 3.96Å; D32-I34 HydrophobicContact CB-CG1 4Å; D32-I34 PolarHBondContact O-N 3.38Å; I34-H38 HydrophobicContact CG2-CB 3.63Å; I34-V39 HydrophobicContact CG2-CG2 3.73Å; I34-D63 HydrophobicContact CG1-CB 4.06Å
35T93.3Very high92.3Very high0 Ų044.4 Ų44.40%022%0.22CC..  trans-102.2162.2174.572.40000111.4R29 V37 H38 V39 L61R29-T35 HydrophobicContact CG-CG2 3.92Å; T35-V37 PolarHBondContact O-N 3.26Å; T35-V37 VanDerWaalsContact O-N 3.15Å; T35-V37 PolarHBondContact OG1-N 3.08Å; T35-H38 PolarHBondContact N-ND1 3.38Å; T35-H38 VanDerWaalsContact O-CB 3.31Å; T35-H38 WeakPolarHBondContact O-CB 3.39Å; T35-H38 PolarHBondContact O-N 2.9Å; T35-H38 VanDerWaalsContact O-N 3.09Å; T35-H38 PolarHBondContact OG1-N 3.45Å; T35-H38 PolarHBondContact OG1-ND1 3.36Å; T35-V39 PolarHBondContact O-N 3.19Å; T35-L61 HydrophobicContact CG2-CB 4.41Å; T35-L61 HydrophobicContact CG2-CD1 3.91Å
36P93.9Very high92.5Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-51.7-32.9169.3-3034.8000114M1 A5 P26 H28 V39 A40 L52M1-P36 HydrophobicContact CB-CB 4.42Å; M1-P36 HydrophobicContact CB-CG 3.56Å; A5-P36 HydrophobicContact CB-CB 4Å; A5-P36 WeakPolarHBondContact CB-O 3.35Å; P26-P36 VanDerWaalsContact O-CD 3.28Å; P26-P36 WeakPolarHBondContact O-CD 3.42Å; P26-P36 WeakPolarHBondContact O-CG 3.5Å; H28-P36 WeakPolarHBondContact O-CD 3.3Å; P36-V39 PolarHBondContact O-N 3.06Å; P36-A40 PolarHBondContact O-N 3.45Å; P36-L52 HydrophobicContact CB-CD1 3.8Å; P36-L52 HydrophobicContact CB-CD2 3.78Å; P36-L52 HydrophobicContact CB-CG 4.47Å; P36-L52 WeakPolarHBondContact O-CD1 3.42Å
37V93.4Very high92.5Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-65.3-43.9177.2-179.40000111T35 V39 A40 A41 L49 L52 L53 P59 A69T35-V37 PolarHBondContact O-N 3.26Å; T35-V37 VanDerWaalsContact O-N 3.15Å; T35-V37 PolarHBondContact OG1-N 3.08Å; V37-V39 VanDerWaalsContact C-N 3.34Å; V37-V39 PolarHBondContact O-N 2.99Å; V37-A40 PolarHBondContact O-N 3.38Å; V37-A41 VanDerWaalsContact O-CB 3.25Å; V37-A41 WeakPolarHBondContact O-CB 3.19Å; V37-A41 PolarHBondContact O-N 3.11Å; V37-L49 HydrophobicContact CG1-CD1 3.64Å; V37-L52 HydrophobicContact CG2-CB 4.05Å; V37-L52 HydrophobicContact CG2-CD1 4.45Å; V37-L53 HydrophobicContact CG1-CD2 4.41Å; V37-P59 HydrophobicContact CG1-CB 3.9Å; V37-A69 HydrophobicContact CG1-CB 3.87Å
38H94.8Very high92.6Very high0 Ų049.2 Ų49.20%024%0.238CC..Hα-helixtrans-55.6-48.7172.1-70.897.8000111.4I34 T35 A40 A41 C42 L61 M67 G68 A69 M72I34-H38 HydrophobicContact CG2-CB 3.63Å; T35-H38 PolarHBondContact N-ND1 3.38Å; T35-H38 VanDerWaalsContact O-CB 3.31Å; T35-H38 WeakPolarHBondContact O-CB 3.39Å; T35-H38 PolarHBondContact O-N 2.9Å; T35-H38 VanDerWaalsContact O-N 3.09Å; T35-H38 PolarHBondContact OG1-N 3.45Å; T35-H38 PolarHBondContact OG1-ND1 3.36Å; H38-A40 PolarHBondContact O-N 3.46Å; H38-A41 PolarHBondContact O-N 3.49Å; H38-C42 WeakPolarHBondContact O-CB 3.42Å; H38-C42 PolarHBondContact O-N 3.01Å; H38-L61 PolarHBondContact CE1-O 2.72Å; H38-L61 PolarHBondContact NE2-O 2.78Å; H38-M67 PolarHBondContact NE2-O 3.41Å; H38-G68 VanDerWaalsContact CD2-C 3.45Å; H38-A69 PolarHBondContact CD2-N 3.5Å; H38-A69 PolarHBondContact NE2-N 3.5Å; H38-M72 HydrophobicContact CB-CE 4.25Å; H38-M72 HydrophobicContact CB-SD 3.65Å
39V94.2Very high92.7Very high23 Ų2344.3 Ų44.314%0.13922%0.215CC..Hα-helixtrans-63.4-45.3-179.7-1770000111.3H2 A5 I34 T35 P36 V37 A41 W43H2-V39 HydrophobicContact CB-CG2 4.23Å; A5-V39 HydrophobicContact CB-CB 4.34Å; I34-V39 HydrophobicContact CG2-CG2 3.73Å; T35-V39 PolarHBondContact O-N 3.19Å; P36-V39 PolarHBondContact O-N 3.06Å; V37-V39 VanDerWaalsContact C-N 3.34Å; V37-V39 PolarHBondContact O-N 2.99Å; V39-A41 VanDerWaalsContact C-N 3.31Å; V39-A41 PolarHBondContact O-N 3.3Å; V39-W43 WeakPolarHBondContact O-CB 3.43Å; V39-W43 PolarHBondContact O-N 2.95Å
40A94.4Very high92.5Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-63.5-39178.700000112.1A5 P36 V37 H38 G44 R45 N48 L49 L52A5-A40 HydrophobicContact CB-CB 4.34Å; P36-A40 PolarHBondContact O-N 3.45Å; V37-A40 PolarHBondContact O-N 3.38Å; H38-A40 PolarHBondContact O-N 3.46Å; A40-G44 PolarHBondContact O-N 3.02Å; A40-G44 VanDerWaalsContact O-N 3.14Å; A40-R45 HydrophobicContact CB-CB 4.36Å; A40-R45 PolarHBondContact O-N 3.3Å; A40-N48 HydrophobicContact CB-CB 4.41Å; A40-L49 HydrophobicContact CB-CB 3.86Å; A40-L49 HydrophobicContact CB-CD1 4.34Å; A40-L52 HydrophobicContact CB-CD1 3.92Å
41A94.3Very high92.3Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-70.1-46.1178.700000112.4V37 H38 V39 W43 G44 L49 A69 A73 H78 I85V37-A41 VanDerWaalsContact O-CB 3.25Å; V37-A41 WeakPolarHBondContact O-CB 3.19Å; V37-A41 PolarHBondContact O-N 3.11Å; H38-A41 PolarHBondContact O-N 3.49Å; V39-A41 VanDerWaalsContact C-N 3.31Å; V39-A41 PolarHBondContact O-N 3.3Å; A41-W43 VanDerWaalsContact C-N 3.33Å; A41-W43 PolarHBondContact O-N 3.24Å; A41-G44 PolarHBondContact O-N 3.41Å; A41-L49 HydrophobicContact CB-CD1 4.47Å; A41-L49 HydrophobicContact CB-CD2 4.32Å; A41-A69 HydrophobicContact CB-CB 3.99Å; A41-A69 VanDerWaalsContact CB-O 3.25Å; A41-A69 WeakPolarHBondContact CB-O 3.39Å; A41-A73 HydrophobicContact CB-CB 4.13Å; A41-H78 PolarHBondContact O-CD2 3.44Å; A41-I85 HydrophobicContact CB-CD1 4.12Å
42C94.4Very high92.2Very high34 Ų3432.1 Ų32.123%0.2316%0.157CC..Hα-helixtrans-60-38.3176.11760000112.5H38 M72 E76 H78H38-C42 WeakPolarHBondContact O-CB 3.42Å; H38-C42 PolarHBondContact O-N 3.01Å; C42-M72 HydrophobicContact CB-CB 3.82Å; C42-M72 HydrophobicContact CB-SD 4.13Å; C42-E76 WeakPolarHBondContact O-CB 3.47Å; C42-E76 WeakPolarHBondContact O-CG 3.49Å; C42-H78 PolarHBondContact O-CD2 3.41Å; C42-H78 PolarHBondContact O-NE2 2.77Å; C42-H78 VanDerWaalsContact O-NE2 3.14Å
43W93Very high92.1Very high149 Ų14927.7 Ų27.756%0.56413%0.133SC*.THydrogen-bonded Turntrans-96.46.3-178.3-68.972.4000113.7V39 A41 R45V39-W43 WeakPolarHBondContact O-CB 3.43Å; V39-W43 PolarHBondContact O-N 2.95Å; A41-W43 VanDerWaalsContact C-N 3.33Å; A41-W43 PolarHBondContact O-N 3.24Å; W43-R45 VanDerWaalsContact C-N 3.25Å; W43-R45 HydrophobicContact CB-CG 3.93Å; W43-R45 WeakPolarHBondContact O-CD 3.29Å; W43-R45 PolarHBondContact O-N 2.93Å; W43-R45 PolarHBondContact O-NE 2.77Å
44G92.1Very high91.8Very high24 Ų2428.9 Ų28.925%0.24714%0.141CC..THydrogen-bonded Turntrans6625.1176.600000114.1A40 A41 F46 H78A40-G44 PolarHBondContact O-N 3.02Å; A40-G44 VanDerWaalsContact O-N 3.14Å; A41-G44 PolarHBondContact O-N 3.41Å; G44-F46 VanDerWaalsContact C-N 3.26Å; G44-F46 PolarHBondContact O-N 3.03Å; G44-H78 WeakPolarHBondContact CA-CD2 3.47Å; G44-H78 VanDerWaalsContact CA-CG 3.42Å; G44-H78 PolarHBondContact N-CD2 3.23Å; G44-H78 PolarHBondContact N-NE2 2.84Å
45R93.9Very high91.3Very high57 Ų5727.9 Ų27.922%0.21514%0.135CC..  trans-80.972.8-177.9-53-51.8-178-155-3.1110.2A5 G6 D8 A40 W43 E47 N48 L49A5-R45 WeakPolarHBondContact O-CB 3.49Å; A5-R45 WeakPolarHBondContact O-CG 3.37Å; G6-R45 PolarHBondContact O-NE 2.92Å; G6-R45 PolarHBondContact O-NH2 3.47Å; D8-R45 IonicContact OD2-NH1 2.79Å; A40-R45 HydrophobicContact CB-CB 4.36Å; A40-R45 PolarHBondContact O-N 3.3Å; W43-R45 VanDerWaalsContact C-N 3.25Å; W43-R45 HydrophobicContact CB-CG 3.93Å; W43-R45 WeakPolarHBondContact O-CD 3.29Å; W43-R45 PolarHBondContact O-N 2.93Å; W43-R45 PolarHBondContact O-NE 2.77Å; R45-E47 VanDerWaalsContact C-N 3.34Å; R45-E47 PolarHBondContact O-N 3.23Å; R45-N48 HydrophobicContact CB-CB 3.95Å; R45-N48 PolarHBondContact O-N 3.27Å; R45-N48 VanDerWaalsContact O-N 3.14Å; R45-L49 WeakPolarHBondContact O-CB 3.36Å; R45-L49 PolarHBondContact O-N 2.7Å
46F90.2Very high90.8Very high67 Ų6727.9 Ų27.929%0.29414%0.135SC..Hα-helixtrans-50.6-48.9-172.4-177-88.7000113G44 L49 E50 P80 L84G44-F46 VanDerWaalsContact C-N 3.26Å; G44-F46 PolarHBondContact O-N 3.03Å; F46-L49 WeakPolarHBondContact O-CB 3.49Å; F46-L49 PolarHBondContact O-N 2.81Å; F46-E50 WeakPolarHBondContact O-CB 3.33Å; F46-E50 PolarHBondContact O-N 2.78Å; F46-P80 HydrophobicContact CD2-CB 3.86Å; F46-P80 HydrophobicContact CE2-CB 4.26Å; F46-L84 HydrophobicContact CD2-CB 4.49Å; F46-L84 HydrophobicContact CD2-CD2 4.16Å; F46-L84 HydrophobicContact CE2-CB 3.88Å; F46-L84 HydrophobicContact CE2-CD1 4.42Å; F46-L84 HydrophobicContact CE2-CD2 3.92Å; F46-L84 HydrophobicContact CE2-CG 4.29Å; F46-L84 HydrophobicContact CZ-CD1 4.25Å; F46-L84 HydrophobicContact CZ-CD2 4.18Å
47E89.1Confident90.5Very high107 Ų10727.9 Ų27.950%0.514%0.135SC..Hα-helixtrans-67.5-39.9-178-64.576.1-169.800111.9Y13 R45 L51Y13-E47 HydrophobicContact CD2-CB 4.09Å; Y13-E47 HydrophobicContact CE2-CB 4.06Å; R45-E47 VanDerWaalsContact C-N 3.34Å; R45-E47 PolarHBondContact O-N 3.23Å; E47-L51 WeakPolarHBondContact O-CB 3.34Å; E47-L51 PolarHBondContact O-N 3.47Å
48N91.1Very high90.2Very high7 Ų729.2 Ų29.24%0.03714%0.142CC..Hα-helixtrans-69.4-37.3176.3-70.4-15.7000111.3L4 A5 L7 L16 A40 R45 L51 L52L4-N48 PolarHBondContact O-ND2 2.87Å; A5-N48 PolarHBondContact O-ND2 2.96Å; L7-N48 PolarHBondContact O-ND2 3.33Å; L16-N48 HydrophobicContact CD2-CB 3.89Å; A40-N48 HydrophobicContact CB-CB 4.41Å; R45-N48 HydrophobicContact CB-CB 3.95Å; R45-N48 PolarHBondContact O-N 3.27Å; R45-N48 VanDerWaalsContact O-N 3.14Å; N48-L51 PolarHBondContact O-N 2.94Å; N48-L52 WeakPolarHBondContact O-CB 3.34Å; N48-L52 WeakPolarHBondContact O-CD1 3.07Å; N48-L52 VanDerWaalsContact O-CG 3.24Å; N48-L52 WeakPolarHBondContact O-CG 3.35Å; N48-L52 PolarHBondContact O-N 3.26Å
49L92.5Very high89.8Confident0 Ų029.4 Ų29.40%014%0.143CC..Hα-helixtrans-62.9-50.5175.3177.859.3000110.1V37 A40 A41 R45 F46 L51 L52 L53 C81 L84 I85V37-L49 HydrophobicContact CG1-CD1 3.64Å; A40-L49 HydrophobicContact CB-CB 3.86Å; A40-L49 HydrophobicContact CB-CD1 4.34Å; A41-L49 HydrophobicContact CB-CD1 4.47Å; A41-L49 HydrophobicContact CB-CD2 4.32Å; R45-L49 WeakPolarHBondContact O-CB 3.36Å; R45-L49 PolarHBondContact O-N 2.7Å; F46-L49 WeakPolarHBondContact O-CB 3.49Å; F46-L49 PolarHBondContact O-N 2.81Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.43Å; L49-L52 PolarHBondContact O-N 3.22Å; L49-L53 HydrophobicContact CD1-CD1 4.2Å; L49-L53 HydrophobicContact CD1-CG 4.19Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 VanDerWaalsContact O-CG 3.24Å; L49-L53 WeakPolarHBondContact O-CG 3.37Å; L49-L53 PolarHBondContact O-N 2.89Å; L49-C81 HydrophobicContact CD2-CB 3.58Å; L49-L84 HydrophobicContact CB-CD2 4.3Å; L49-L84 HydrophobicContact CD2-CD2 3.98Å; L49-L84 HydrophobicContact CG-CD2 3.89Å; L49-I85 HydrophobicContact CD2-CD1 4.2Å; L49-I85 HydrophobicContact CD2-CG1 4.13Å
50E89.2Confident89.5Confident64 Ų6432 Ų3230%0.29916%0.156SC..Hα-helixtrans-56.2-45.1175.9-173.4175.2-132.300111.2F46 L53 C54 L84F46-E50 WeakPolarHBondContact O-CB 3.33Å; F46-E50 PolarHBondContact O-N 2.78Å; E50-L53 PolarHBondContact O-N 3.41Å; E50-C54 WeakPolarHBondContact O-CB 3.5Å; E50-C54 PolarHBondContact O-N 3.28Å; E50-C54 PolarHBondContact O-SG 3.03Å; E50-L84 HydrophobicContact CB-CD2 3.91Å
51L88.1Confident89.3Confident8 Ų833.9 Ų33.94%0.04217%0.166CC..Hα-helixtrans-62.1-45.7177.1-177.367.9000112.2Y13 L16 Q17 L20 E47 N48 L49 L53 C54 F55Y13-L51 HydrophobicContact CD2-CD2 4.12Å; Y13-L51 HydrophobicContact CE1-CD2 4.49Å; Y13-L51 HydrophobicContact CE2-CB 3.97Å; Y13-L51 HydrophobicContact CE2-CD2 3.86Å; Y13-L51 HydrophobicContact CE2-CG 4.36Å; L16-L51 HydrophobicContact CB-CD2 4.25Å; L16-L51 HydrophobicContact CD2-CD2 4.16Å; L16-L51 HydrophobicContact CG-CD2 4.09Å; Q17-L51 HydrophobicContact CB-CD1 4.41Å; Q17-L51 HydrophobicContact CB-CD2 3.84Å; Q17-L51 HydrophobicContact CG-CD1 4.24Å; L20-L51 HydrophobicContact CD1-CD2 4.18Å; L20-L51 HydrophobicContact CD1-CG 3.95Å; E47-L51 WeakPolarHBondContact O-CB 3.34Å; E47-L51 PolarHBondContact O-N 3.47Å; N48-L51 PolarHBondContact O-N 2.94Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.43Å; L51-L53 PolarHBondContact O-N 3.29Å; L51-C54 WeakPolarHBondContact O-CB 3.34Å; L51-C54 PolarHBondContact O-N 2.96Å; L51-F55 HydrophobicContact CD1-CD2 3.88Å; L51-F55 HydrophobicContact CD1-CE2 3.63Å; L51-F55 HydrophobicContact CG-CD2 4.34Å; L51-F55 HydrophobicContact CG-CE2 4.47Å; L51-F55 WeakPolarHBondContact O-CD2 3.31Å; L51-F55 PolarHBondContact O-N 3.1Å; L51-F55 VanDerWaalsContact O-N 3.08Å
52L90.1Very high89.1Confident0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-61.4-44.5178.1-76164.8000111.6M1 A5 L16 L20 P26 P36 V37 A40 N48 L49 F55 G56 G57M1-L52 HydrophobicContact CE-CD2 4.36Å; A5-L52 HydrophobicContact CB-CD1 3.92Å; L16-L52 HydrophobicContact CD1-CD2 4.31Å; L16-L52 HydrophobicContact CD2-CG 4.25Å; L20-L52 HydrophobicContact CD1-CD2 4.13Å; L20-L52 HydrophobicContact CD2-CD2 4.22Å; P26-L52 HydrophobicContact CB-CD2 3.89Å; P36-L52 HydrophobicContact CB-CD1 3.8Å; P36-L52 HydrophobicContact CB-CD2 3.78Å; P36-L52 HydrophobicContact CB-CG 4.47Å; P36-L52 WeakPolarHBondContact O-CD1 3.42Å; V37-L52 HydrophobicContact CG2-CB 4.05Å; V37-L52 HydrophobicContact CG2-CD1 4.45Å; A40-L52 HydrophobicContact CB-CD1 3.92Å; N48-L52 WeakPolarHBondContact O-CB 3.34Å; N48-L52 WeakPolarHBondContact O-CD1 3.07Å; N48-L52 VanDerWaalsContact O-CG 3.24Å; N48-L52 WeakPolarHBondContact O-CG 3.35Å; N48-L52 PolarHBondContact O-N 3.26Å; L49-L52 PolarHBondContact O-N 3.22Å; L52-F55 CarbonylContact O-C 3.37Å; L52-F55 PolarHBondContact O-N 3.23Å; L52-G56 PolarHBondContact O-N 3.3Å; L52-G57 WeakPolarHBondContact O-CA 3.4Å; L52-G57 PolarHBondContact O-N 2.98Å
53L87.7Confident89Confident0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-60.3-45.3175.8-67.7174.9000111V37 L49 E50 L51 F55 G56 G57 P59 L84 W88V37-L53 HydrophobicContact CG1-CD2 4.41Å; L49-L53 HydrophobicContact CD1-CD1 4.2Å; L49-L53 HydrophobicContact CD1-CG 4.19Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 VanDerWaalsContact O-CG 3.24Å; L49-L53 WeakPolarHBondContact O-CG 3.37Å; L49-L53 PolarHBondContact O-N 2.89Å; E50-L53 PolarHBondContact O-N 3.41Å; L51-L53 PolarHBondContact O-N 3.29Å; L53-F55 PolarHBondContact O-N 2.77Å; L53-G56 PolarHBondContact O-N 2.88Å; L53-G57 WeakPolarHBondContact CD2-O 3.2Å; L53-P59 HydrophobicContact CD2-CB 3.99Å; L53-P59 HydrophobicContact CD2-CG 3.8Å; L53-L84 HydrophobicContact CD1-CD2 4.15Å; L53-L84 HydrophobicContact CD1-CG 4.05Å; L53-W88 VanDerWaalsContact C-CZ2 3.45Å; L53-W88 HydrophobicContact CB-CD2 3.82Å; L53-W88 HydrophobicContact CB-CE3 4.13Å; L53-W88 HydrophobicContact CB-CG 4.32Å; L53-W88 HydrophobicContact CB-CH2 4.25Å; L53-W88 HydrophobicContact CB-CZ2 3.94Å; L53-W88 HydrophobicContact CB-CZ3 4.33Å; L53-W88 HydrophobicContact CD1-CB 4.14Å; L53-W88 HydrophobicContact CD1-CD2 4.1Å; L53-W88 HydrophobicContact CD1-CE3 4.37Å; L53-W88 HydrophobicContact CD1-CG 3.97Å; L53-W88 HydrophobicContact CD2-CG 4.29Å; L53-W88 HydrophobicContact CG-CD2 4.4Å; L53-W88 HydrophobicContact CG-CG 4.42Å; L53-W88 WeakPolarHBondContact O-CZ2 3.44Å
54C84.2Confident88.9Confident28 Ų2835.1 Ų35.119%0.18918%0.178CC..Hα-helixtrans-57.1-36.2175.7-71.80000113E50 L51 G56E50-C54 WeakPolarHBondContact O-CB 3.5Å; E50-C54 PolarHBondContact O-N 3.28Å; E50-C54 PolarHBondContact O-SG 3.03Å; L51-C54 WeakPolarHBondContact O-CB 3.34Å; L51-C54 PolarHBondContact O-N 2.96Å; C54-G56 VanDerWaalsContact C-N 3.25Å; C54-G56 PolarHBondContact O-N 2.72Å
55F83.8Confident88.8Confident18 Ų1841.4 Ų41.48%0.07920%0.201CC..THydrogen-bonded Turntrans-85.78.9177.1-82.2-97.1000113.9L20 L51 L52 L53 G213 Y223L20-F55 HydrophobicContact CB-CB 4.18Å; L20-F55 HydrophobicContact CB-CD1 3.51Å; L20-F55 HydrophobicContact CB-CD2 4.11Å; L20-F55 HydrophobicContact CB-CE1 3.82Å; L20-F55 HydrophobicContact CB-CE2 4.38Å; L20-F55 HydrophobicContact CB-CG 3.66Å; L20-F55 HydrophobicContact CB-CZ 4.24Å; L20-F55 HydrophobicContact CD1-CB 4.03Å; L20-F55 HydrophobicContact CD1-CD2 3.95Å; L20-F55 HydrophobicContact CD1-CG 3.96Å; L20-F55 HydrophobicContact CD2-CB 4.05Å; L20-F55 HydrophobicContact CD2-CG 4.46Å; L20-F55 HydrophobicContact CG-CB 4.31Å; L20-F55 HydrophobicContact CG-CG 4.24Å; L51-F55 HydrophobicContact CD1-CD2 3.88Å; L51-F55 HydrophobicContact CD1-CE2 3.63Å; L51-F55 HydrophobicContact CG-CD2 4.34Å; L51-F55 HydrophobicContact CG-CE2 4.47Å; L51-F55 WeakPolarHBondContact O-CD2 3.31Å; L51-F55 PolarHBondContact O-N 3.1Å; L51-F55 VanDerWaalsContact O-N 3.08Å; L52-F55 CarbonylContact O-C 3.37Å; L52-F55 PolarHBondContact O-N 3.23Å; L53-F55 PolarHBondContact O-N 2.77Å; F55-G213 VanDerWaalsContact CD1-CA 3.45Å; F55-Y223 WeakPolarHBondContact CA-OH 3.24Å; F55-Y223 PolarHBondContact O-OH 2.65Å
56G82.2Confident88.5Confident0 Ų045.7 Ų45.70%022%0.224CC..THydrogen-bonded Turntrans91.619.6174.700000114.3L52 L53 C54 D58 T219 Y223L52-G56 PolarHBondContact O-N 3.3Å; L53-G56 PolarHBondContact O-N 2.88Å; C54-G56 VanDerWaalsContact C-N 3.25Å; C54-G56 PolarHBondContact O-N 2.72Å; G56-D58 PolarHBondContact O-N 2.8Å; G56-T219 WeakPolarHBondContact O-CG2 3.45Å; G56-Y223 PolarHBondContact N-OH 2.8Å
57G87.6Confident88.5Confident0 Ų043.1 Ų43.10%021%0.213CC..  trans-59.6128.5169.900000110.2L52 L53 P59L52-G57 WeakPolarHBondContact O-CA 3.4Å; L52-G57 PolarHBondContact O-N 2.98Å; L53-G57 WeakPolarHBondContact CD2-O 3.2Å; G57-P59 VanDerWaalsContact O-CD 3.3Å; G57-P59 WeakPolarHBondContact O-CD 3.26Å
58D86.6Confident88.6Confident27 Ų2738.2 Ų38.214%0.14419%0.191CC..  trans-91.7110.9-179.3-174.9-0.7000110.1S27 G56 L60 L61S27-D58 PolarHBondContact OG-N 3.36Å; G56-D58 PolarHBondContact O-N 2.8Å; D58-L60 VanDerWaalsContact C-N 3.27Å; D58-L60 WeakPolarHBondContact OD1-CB 3.38Å; D58-L60 PolarHBondContact OD1-N 2.59Å; D58-L61 HydrophobicContact CB-CD1 3.95Å; D58-L61 HydrophobicContact CB-CG 3.9Å
59P87.7Confident88.7Confident4 Ų437.9 Ų37.93%0.02619%0.189CC..THydrogen-bonded Turntrans-79.3-7.3178.235.1-37000113.6V37 L53 G57 I85 C89V37-P59 HydrophobicContact CG1-CB 3.9Å; L53-P59 HydrophobicContact CD2-CB 3.99Å; L53-P59 HydrophobicContact CD2-CG 3.8Å; G57-P59 VanDerWaalsContact O-CD 3.3Å; G57-P59 WeakPolarHBondContact O-CD 3.26Å; P59-I85 HydrophobicContact CB-CG1 4.36Å; P59-I85 HydrophobicContact CB-CG2 3.97Å; P59-I85 HydrophobicContact CG-CG2 4.31Å; P59-C89 WeakPolarHBondContact CG-SG 3.2Å
60L87.5Confident88.7Confident77 Ų7738.5 Ų38.540%0.40319%0.192SC..THydrogen-bonded Turntrans-91.9-2.8-178.4-55.4-175.5000113.1D58 H62 C89 M99D58-L60 VanDerWaalsContact C-N 3.27Å; D58-L60 WeakPolarHBondContact OD1-CB 3.38Å; D58-L60 PolarHBondContact OD1-N 2.59Å; L60-H62 PolarHBondContact O-CE1 3.48Å; L60-H62 PolarHBondContact O-ND1 3.49Å; L60-C89 HydrophobicContact CD2-CB 4.4Å; L60-M99 HydrophobicContact CD2-CE 3.78Å
61L89.3Confident88.8Confident40 Ų4035.6 Ų35.621%0.20918%0.179CC..  trans-68.6138.8172.7-66.9177.1000109.5T35 H38 D58T35-L61 HydrophobicContact CG2-CB 4.41Å; T35-L61 HydrophobicContact CG2-CD1 3.91Å; H38-L61 PolarHBondContact CE1-O 2.72Å; H38-L61 PolarHBondContact NE2-O 2.78Å; D58-L61 HydrophobicContact CB-CD1 3.95Å; D58-L61 HydrophobicContact CB-CG 3.9Å
62H91.1Very high89.1Confident85 Ų8536.2 Ų36.239%0.39418%0.182SC..BIsolated β-bridgetrans-100.5146.4171-5481.8000110.1R29 L60 E66 M67R29-H62 PolarHBondContact NH1-O 3.33Å; R29-H62 PolarHBondContact NH2-O 3.21Å; L60-H62 PolarHBondContact O-CE1 3.48Å; L60-H62 PolarHBondContact O-ND1 3.49Å; H62-E66 PolarHBondContact CD2-O 3.47Å; H62-M67 WeakPolarHBondContact CA-O 3.26Å
63D91.6Very high89.2Confident15 Ų1536.2 Ų36.28%0.0818%0.182CC..  trans-75.1-169.8169.174.95.2000112D32 I34 E65 E66 M67 M72D32-D63 WeakPolarHBondContact O-CB 3.48Å; I34-D63 HydrophobicContact CG1-CB 4.06Å; D63-E65 PolarHBondContact O-N 2.81Å; D63-E65 WeakPolarHBondContact OD1-CA 3.3Å; D63-E65 PolarHBondContact OD1-N 2.76Å; D63-E66 PolarHBondContact O-N 3.17Å; D63-E66 PolarHBondContact OD1-N 2.92Å; D63-M67 PolarHBondContact N-O 2.89Å; D63-M67 WeakPolarHBondContact OD1-CB 3.34Å; D63-M67 PolarHBondContact OD1-N 2.92Å; D63-M72 HydrophobicContact CB-CE 4.48Å; D63-M72 WeakPolarHBondContact OD2-CE 3.46Å
64N91.5Very high89.5Confident109 Ų10936.2 Ų36.258%0.58318%0.182SC*.THydrogen-bonded Turntrans-73.6-14.2-179.3-66.6-11000113.7L31 D32 E66L31-N64 PolarHBondContact O-ND2 2.99Å; D32-N64 WeakPolarHBondContact CA-ND2 3.42Å; D32-N64 WeakPolarHBondContact O-CB 3.37Å; D32-N64 PolarHBondContact O-N 2.94Å; D32-N64 PolarHBondContact O-ND2 3.06Å; N64-E66 VanDerWaalsContact C-N 3.35Å
65E89Confident89.9Confident156 Ų15639.5 Ų39.573%0.72919%0.194SC*.THydrogen-bonded Turntrans-97.712.8176.7-59.7-170165.500111.8D63 M67D63-E65 PolarHBondContact O-N 2.81Å; D63-E65 WeakPolarHBondContact OD1-CA 3.3Å; D63-E65 PolarHBondContact OD1-N 2.76Å; E65-M67 HydrophobicContact CB-CG 4.21Å; E65-M67 PolarHBondContact O-N 2.96Å
66E88.7Confident90.3Very high147 Ų14743.6 Ų43.669%0.68721%0.214SC*.SBendtrans60.625.2-174.8-55.4-175.9169.400113.1H62 D63 N64H62-E66 PolarHBondContact CD2-O 3.47Å; D63-E66 PolarHBondContact O-N 3.17Å; D63-E66 PolarHBondContact OD1-N 2.92Å; N64-E66 VanDerWaalsContact C-N 3.35Å
67M89.7Confident90.8Very high14 Ų1445.3 Ų45.37%0.06923%0.228CC..  trans-95.2124.5175.6-63-65.9-76.700109.8H38 H62 D63 E65 D71 M72 E75 N101 V104H38-M67 PolarHBondContact NE2-O 3.41Å; H62-M67 WeakPolarHBondContact CA-O 3.26Å; D63-M67 PolarHBondContact N-O 2.89Å; D63-M67 WeakPolarHBondContact OD1-CB 3.34Å; D63-M67 PolarHBondContact OD1-N 2.92Å; E65-M67 HydrophobicContact CB-CG 4.21Å; E65-M67 PolarHBondContact O-N 2.96Å; M67-D71 HydrophobicContact CE-CB 3.55Å; M67-D71 HydrophobicContact SD-CB 4.11Å; M67-M72 HydrophobicContact CB-CE 4.1Å; M67-E75 WeakPolarHBondContact CE-OE2 3.3Å; M67-N101 HydrophobicContact SD-CB 3.68Å; M67-V104 HydrophobicContact CE-CG1 4.36Å
68G92.1Very high91.1Very high4 Ų448 Ų484%0.04124%0.24CC..BIsolated β-bridgetrans-87.9168171.800000112.6H38 L70 D71 M72H38-G68 VanDerWaalsContact CD2-C 3.45Å; G68-L70 PolarHBondContact O-N 3.35Å; G68-D71 WeakPolarHBondContact CA-OD2 3.16Å; G68-D71 PolarHBondContact N-OD2 3.02Å; G68-D71 WeakPolarHBondContact O-CB 3.28Å; G68-D71 PolarHBondContact O-N 2.86Å; G68-M72 PolarHBondContact O-N 2.75Å; G68-M72 VanDerWaalsContact O-N 3.15Å
69A92.3Very high91.3Very high0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-60.6-31.4176.500000112.4V37 H38 A41 A73 I85V37-A69 HydrophobicContact CG1-CB 3.87Å; H38-A69 PolarHBondContact CD2-N 3.5Å; H38-A69 PolarHBondContact NE2-N 3.5Å; A41-A69 HydrophobicContact CB-CB 3.99Å; A41-A69 VanDerWaalsContact CB-O 3.25Å; A41-A69 WeakPolarHBondContact CB-O 3.39Å; A69-A73 PolarHBondContact O-N 3.47Å; A69-A73 VanDerWaalsContact O-N 3.13Å; A69-I85 HydrophobicContact CB-CD1 4.29Å
70L92.2Very high91.3Very high12 Ų1252 Ų526%0.06326%0.261CS..Hα-helixtrans-65.7-42.5174.5-174.360.3000111.6G68 A73 I74 V82 I85 L91 V96 V100G68-L70 PolarHBondContact O-N 3.35Å; L70-A73 PolarHBondContact O-N 2.98Å; L70-I74 HydrophobicContact CD1-CD1 4.3Å; L70-I74 HydrophobicContact CG-CD1 4Å; L70-I74 WeakPolarHBondContact O-CD1 3.47Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.45Å; L70-V82 HydrophobicContact CD1-CB 4.39Å; L70-V82 HydrophobicContact CD1-CG1 3.91Å; L70-V82 HydrophobicContact CD1-CG2 4.48Å; L70-I85 HydrophobicContact CB-CG2 4.36Å; L70-I85 HydrophobicContact CD1-CB 4.28Å; L70-I85 HydrophobicContact CD1-CG2 4.13Å; L70-L91 HydrophobicContact CD2-CD1 4.38Å; L70-V96 HydrophobicContact CD2-CG1 4Å; L70-V96 HydrophobicContact CD2-CG2 4.45Å; L70-V100 HydrophobicContact CD2-CG1 3.85Å; L70-V100 HydrophobicContact CG-CG1 4.05Å
71D92.7Very high91.3Very high4 Ų448.4 Ų48.42%0.02124%0.243CC..Hα-helixtrans-62.1-48.3178.5-58.5-55.3000110.9M67 G68 A73 I74 E75 V100 N101 V104M67-D71 HydrophobicContact CE-CB 3.55Å; M67-D71 HydrophobicContact SD-CB 4.11Å; G68-D71 WeakPolarHBondContact CA-OD2 3.16Å; G68-D71 PolarHBondContact N-OD2 3.02Å; G68-D71 WeakPolarHBondContact O-CB 3.28Å; G68-D71 PolarHBondContact O-N 2.86Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.4Å; D71-I74 PolarHBondContact O-N 3.48Å; D71-I74 VanDerWaalsContact O-N 3.09Å; D71-E75 WeakPolarHBondContact O-CB 3.34Å; D71-E75 PolarHBondContact O-N 2.69Å; D71-V100 WeakPolarHBondContact OD1-CA 3.23Å; D71-V100 WeakPolarHBondContact OD1-CB 3.34Å; D71-N101 PolarHBondContact OD1-N 2.78Å; D71-V104 HydrophobicContact CB-CG2 4.18Å; D71-V104 WeakPolarHBondContact OD1-CG2 3.01Å
72M93Very high91.3Very high21 Ų2146.5 Ų46.510%0.10323%0.233CC..Hα-helixtrans-61.9-38.8178.8-61.4-177.3178.500112.6H38 C42 D63 M67 G68 I74 E75 E76H38-M72 HydrophobicContact CB-CE 4.25Å; H38-M72 HydrophobicContact CB-SD 3.65Å; C42-M72 HydrophobicContact CB-CB 3.82Å; C42-M72 HydrophobicContact CB-SD 4.13Å; D63-M72 HydrophobicContact CB-CE 4.48Å; D63-M72 WeakPolarHBondContact OD2-CE 3.46Å; M67-M72 HydrophobicContact CB-CE 4.1Å; G68-M72 PolarHBondContact O-N 2.75Å; G68-M72 VanDerWaalsContact O-N 3.15Å; M72-I74 VanDerWaalsContact C-N 3.34Å; M72-E75 PolarHBondContact O-N 3.08Å; M72-E76 PolarHBondContact O-N 3.12Å; M72-E76 VanDerWaalsContact O-N 3.08Å
73A93.5Very high91Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-66.5-35.5175.400000112.5A41 A69 L70 D71 A77 H78 C81 V82A41-A73 HydrophobicContact CB-CB 4.13Å; A69-A73 PolarHBondContact O-N 3.47Å; A69-A73 VanDerWaalsContact O-N 3.13Å; L70-A73 PolarHBondContact O-N 2.98Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.4Å; A73-A77 PolarHBondContact O-N 2.91Å; A73-H78 HydrophobicContact CB-CB 4.48Å; A73-H78 PolarHBondContact O-N 2.99Å; A73-C81 HydrophobicContact CB-CB 4.2Å; A73-V82 HydrophobicContact CB-CG2 3.77Å
74I92.9Very high90.7Very high0 Ų047.7 Ų47.70%023%0.234CC..Hα-helixtrans-70.9-45.7175.9-65.1161000109.8L70 D71 M72 E76 A77 W79 V82 V100 V104 K107 L108L70-I74 HydrophobicContact CD1-CD1 4.3Å; L70-I74 HydrophobicContact CG-CD1 4Å; L70-I74 WeakPolarHBondContact O-CD1 3.47Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.45Å; D71-I74 PolarHBondContact O-N 3.48Å; D71-I74 VanDerWaalsContact O-N 3.09Å; M72-I74 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.08Å; I74-A77 PolarHBondContact O-N 3Å; I74-W79 HydrophobicContact CB-CZ3 4.47Å; I74-W79 HydrophobicContact CG1-CZ3 4.29Å; I74-W79 HydrophobicContact CG2-CH2 4.14Å; I74-W79 HydrophobicContact CG2-CZ3 4.12Å; I74-V82 HydrophobicContact CG1-CG1 4.36Å; I74-V82 HydrophobicContact CG1-CG2 3.71Å; I74-V100 HydrophobicContact CD1-CB 4.47Å; I74-V100 HydrophobicContact CD1-CG1 3.63Å; I74-V104 HydrophobicContact CB-CB 4.18Å; I74-V104 HydrophobicContact CD1-CG2 4.45Å; I74-V104 HydrophobicContact CG2-CB 3.78Å; I74-V104 HydrophobicContact CG2-CG1 4.47Å; I74-V104 HydrophobicContact CG2-CG2 4.41Å; I74-K107 HydrophobicContact CG2-CB 4.15Å; I74-K107 HydrophobicContact CG2-CG 4.29Å; I74-K107 WeakPolarHBondContact O-CD 3.45Å; I74-K107 WeakPolarHBondContact O-CE 3.32Å; I74-K107 PolarHBondContact O-NZ 2.96Å; I74-L108 HydrophobicContact CD1-CB 4.25Å; I74-L108 HydrophobicContact CD1-CD1 3.99Å; I74-L108 HydrophobicContact CD1-CD2 4.35Å; I74-L108 HydrophobicContact CD1-CG 4.41Å; I74-L108 HydrophobicContact CG1-CD1 4.43Å; I74-L108 HydrophobicContact CG2-CB 4.1Å
75E92.8Very high90.4Very high96 Ų9642.5 Ų42.545%0.44921%0.206SC..Hα-helixtrans-56.5-37.8178.8-172.3161.8-155.100112M67 D71 M72 V104 K107M67-E75 WeakPolarHBondContact CE-OE2 3.3Å; D71-E75 WeakPolarHBondContact O-CB 3.34Å; D71-E75 PolarHBondContact O-N 2.69Å; M72-E75 PolarHBondContact O-N 3.08Å; E75-V104 HydrophobicContact CB-CG1 3.82Å; E75-V104 HydrophobicContact CG-CG1 4.5Å; E75-K107 PolarHBondContact O-NZ 3.2Å
76E92.9Very high90.2Very high104 Ų10436.4 Ų36.449%0.48618%0.178SC..THydrogen-bonded Turntrans-93.76.5177.1-63.9-61.1151.600113.9C42 M72 I74 H78C42-E76 WeakPolarHBondContact O-CB 3.47Å; C42-E76 WeakPolarHBondContact O-CG 3.49Å; M72-E76 PolarHBondContact O-N 3.12Å; M72-E76 VanDerWaalsContact O-N 3.08Å; I74-E76 PolarHBondContact O-N 3.08Å; E76-H78 VanDerWaalsContact C-N 3.26Å; E76-H78 PolarHBondContact O-N 2.96Å
77A91.9Very high89.6Confident36 Ų3634.3 Ų34.330%0.29816%0.164SC..THydrogen-bonded Turntrans5731.5-178.600000114.8A73 I74 W79A73-A77 PolarHBondContact O-N 2.91Å; I74-A77 PolarHBondContact O-N 3Å; A77-W79 HydrophobicContact CB-CZ2 4.07Å; A77-W79 PolarHBondContact O-N 3.43Å
78H93.8Very high89.1Confident56 Ų5635.5 Ų35.526%0.25917%0.167SC..  trans-83.464.9175.6-65.6-39.7000111.8A41 C42 G44 A73 E76 P80 C81 V82A41-H78 PolarHBondContact O-CD2 3.44Å; C42-H78 PolarHBondContact O-CD2 3.41Å; C42-H78 PolarHBondContact O-NE2 2.77Å; C42-H78 VanDerWaalsContact O-NE2 3.14Å; G44-H78 WeakPolarHBondContact CA-CD2 3.47Å; G44-H78 VanDerWaalsContact CA-CG 3.42Å; G44-H78 PolarHBondContact N-CD2 3.23Å; G44-H78 PolarHBondContact N-NE2 2.84Å; A73-H78 HydrophobicContact CB-CB 4.48Å; A73-H78 PolarHBondContact O-N 2.99Å; E76-H78 VanDerWaalsContact C-N 3.26Å; E76-H78 PolarHBondContact O-N 2.96Å; H78-P80 VanDerWaalsContact C-N 3.34Å; H78-C81 HydrophobicContact CB-CB 4.24Å; H78-C81 WeakPolarHBondContact O-CA 3.48Å; H78-C81 WeakPolarHBondContact O-CB 3.39Å; H78-C81 PolarHBondContact O-N 2.9Å; H78-V82 PolarHBondContact O-N 3.14Å; H78-V82 VanDerWaalsContact O-N 3.08Å
79W90.6Very high88.4Confident52 Ų5236.8 Ų36.820%0.19718%0.175CC..Hα-helixtrans-53.9-35.5-177.1-51.9125.5000115.9I74 A77 C81 V82 R83 K107 F111I74-W79 HydrophobicContact CB-CZ3 4.47Å; I74-W79 HydrophobicContact CG1-CZ3 4.29Å; I74-W79 HydrophobicContact CG2-CH2 4.14Å; I74-W79 HydrophobicContact CG2-CZ3 4.12Å; A77-W79 HydrophobicContact CB-CZ2 4.07Å; A77-W79 PolarHBondContact O-N 3.43Å; W79-C81 VanDerWaalsContact C-N 3.29Å; W79-C81 PolarHBondContact O-N 2.92Å; W79-V82 HydrophobicContact CE3-CB 4.33Å; W79-V82 HydrophobicContact CE3-CG2 3.94Å; W79-V82 HydrophobicContact CZ3-CG2 4.33Å; W79-V82 PolarHBondContact O-N 2.6Å; W79-R83 WeakPolarHBondContact O-CG 3.39Å; W79-R83 PolarHBondContact O-N 2.82Å; W79-K107 HydrophobicContact CH2-CG 3.97Å; W79-K107 HydrophobicContact CZ2-CG 4.27Å; W79-F111 HydrophobicContact CB-CD2 4.24Å; W79-F111 HydrophobicContact CB-CE2 3.56Å; W79-F111 HydrophobicContact CB-CZ 3.85Å; W79-F111 HydrophobicContact CD2-CB 4.22Å; W79-F111 HydrophobicContact CD2-CD1 4.24Å; W79-F111 AromaticContact CD2-CD2 3.3Å; W79-F111 HydrophobicContact CD2-CD2 3.3Å; W79-F111 HydrophobicContact CD2-CE1 4.44Å; W79-F111 AromaticContact CD2-CE2 3.59Å; W79-F111 HydrophobicContact CD2-CE2 3.59Å; W79-F111 AromaticContact CD2-CG 3.66Å; W79-F111 HydrophobicContact CD2-CG 3.66Å; W79-F111 HydrophobicContact CD2-CZ 4.14Å; W79-F111 AromaticContact CE2-CD2 3.65Å; W79-F111 AromaticContact CE2-CG 4Å; W79-F111 HydrophobicContact CE3-CB 3.91Å; W79-F111 AromaticContact CE3-CD1 3.54Å; W79-F111 HydrophobicContact CE3-CD1 3.54Å; W79-F111 AromaticContact CE3-CD2 3.51Å; W79-F111 HydrophobicContact CE3-CD2 3.51Å; W79-F111 AromaticContact CE3-CE1 3.83Å; W79-F111 HydrophobicContact CE3-CE1 3.83Å; W79-F111 AromaticContact CE3-CE2 3.83Å; W79-F111 HydrophobicContact CE3-CE2 3.83Å; W79-F111 AromaticContact CE3-CG 3.35Å; W79-F111 HydrophobicContact CE3-CG 3.35Å; W79-F111 AromaticContact CE3-CZ 3.96Å; W79-F111 HydrophobicContact CE3-CZ 3.96Å; W79-F111 AromaticContact CG-CD2 3.63Å; W79-F111 HydrophobicContact CG-CD2 3.63Å; W79-F111 AromaticContact CG-CE2 3.46Å; W79-F111 HydrophobicContact CG-CE2 3.46Å; W79-F111 VanDerWaalsContact CG-CE2 3.46Å; W79-F111 HydrophobicContact CG-CG 4.41Å; W79-F111 HydrophobicContact CG-CZ 4.11Å; W79-F111 HydrophobicContact CH2-CB 3.36Å; W79-F111 HydrophobicContact CH2-CD1 4.45Å; W79-F111 HydrophobicContact CH2-CD2 4.33Å; W79-F111 AromaticContact CH2-CG 3.82Å; W79-F111 HydrophobicContact CH2-CG 3.82Å; W79-F111 HydrophobicContact CZ2-CB 3.7Å; W79-F111 HydrophobicContact CZ2-CD2 4.17Å; W79-F111 HydrophobicContact CZ2-CG 4.1Å; W79-F111 HydrophobicContact CZ3-CB 3.48Å; W79-F111 VanDerWaalsContact CZ3-CB 3.48Å; W79-F111 AromaticContact CZ3-CD1 3.67Å; W79-F111 HydrophobicContact CZ3-CD1 3.67Å; W79-F111 HydrophobicContact CZ3-CD2 4.03Å; W79-F111 HydrophobicContact CZ3-CE1 4.38Å; W79-F111 AromaticContact CZ3-CG 3.45Å; W79-F111 HydrophobicContact CZ3-CG 3.45Å; W79-F111 VanDerWaalsContact CZ3-CG 3.45Å
80P87.4Confident87.4Confident64 Ų6438.5 Ų38.542%0.41619%0.19SC..Hα-helixtrans-58.3-40171.1-25.435.9000112.9F46 H78 L84F46-P80 HydrophobicContact CD2-CB 3.86Å; F46-P80 HydrophobicContact CE2-CB 4.26Å; H78-P80 VanDerWaalsContact C-N 3.34Å; P80-L84 WeakPolarHBondContact O-CB 3.47Å; P80-L84 PolarHBondContact O-N 3Å
81C88.3Confident86.6Confident2 Ų239.4 Ų39.41%0.01419%0.194CC..Hα-helixtrans-70.9-40.3176.9-65.60000111.6L49 A73 H78 W79 R83 L84 I85L49-C81 HydrophobicContact CD2-CB 3.58Å; A73-C81 HydrophobicContact CB-CB 4.2Å; H78-C81 HydrophobicContact CB-CB 4.24Å; H78-C81 WeakPolarHBondContact O-CA 3.48Å; H78-C81 WeakPolarHBondContact O-CB 3.39Å; H78-C81 PolarHBondContact O-N 2.9Å; W79-C81 VanDerWaalsContact C-N 3.29Å; W79-C81 PolarHBondContact O-N 2.92Å; C81-R83 VanDerWaalsContact C-N 3.35Å; C81-R83 PolarHBondContact O-N 3.33Å; C81-L84 WeakPolarHBondContact O-CB 3.48Å; C81-L84 PolarHBondContact O-N 3.49Å; C81-L84 VanDerWaalsContact O-N 3.16Å; C81-I85 WeakPolarHBondContact O-CG1 3.48Å; C81-I85 PolarHBondContact O-N 3.07Å
82V90Very high85.7Confident0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-56.2-50173175.90000110.4L70 A73 I74 H78 W79 L84 I85 M86 F111L70-V82 HydrophobicContact CD1-CB 4.39Å; L70-V82 HydrophobicContact CD1-CG1 3.91Å; L70-V82 HydrophobicContact CD1-CG2 4.48Å; A73-V82 HydrophobicContact CB-CG2 3.77Å; I74-V82 HydrophobicContact CG1-CG1 4.36Å; I74-V82 HydrophobicContact CG1-CG2 3.71Å; H78-V82 PolarHBondContact O-N 3.14Å; H78-V82 VanDerWaalsContact O-N 3.08Å; W79-V82 HydrophobicContact CE3-CB 4.33Å; W79-V82 HydrophobicContact CE3-CG2 3.94Å; W79-V82 HydrophobicContact CZ3-CG2 4.33Å; W79-V82 PolarHBondContact O-N 2.6Å; V82-L84 VanDerWaalsContact C-N 3.32Å; V82-L84 PolarHBondContact O-N 3.23Å; V82-I85 PolarHBondContact O-N 3.16Å; V82-M86 HydrophobicContact CG1-CG 4.36Å; V82-M86 HydrophobicContact CG1-SD 3.92Å; V82-M86 WeakPolarHBondContact O-CB 3.43Å; V82-M86 VanDerWaalsContact O-CG 3.26Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 3.2Å; V82-F111 HydrophobicContact CG1-CE1 4.4Å
83R85.3Confident84.9Confident107 Ų10744.1 Ų44.140%0.40423%0.226SC..Hα-helixtrans-61.2-39.4176.7-74.3-172-69.1-101.41112.4W79 C81 R87 F111W79-R83 WeakPolarHBondContact O-CG 3.39Å; W79-R83 PolarHBondContact O-N 2.82Å; C81-R83 VanDerWaalsContact C-N 3.35Å; C81-R83 PolarHBondContact O-N 3.33Å; R83-R87 WeakPolarHBondContact O-CB 3.2Å; R83-R87 PolarHBondContact O-N 2.98Å; R83-F111 HydrophobicContact CG-CZ 4.42Å
84L84.1Confident84.1Confident17 Ų1750.4 Ų50.49%0.08925%0.254CS..Hα-helixtrans-62.9-47.9176.9-177.363.3000111.4F46 L49 E50 L53 P80 C81 V82 R87 W88F46-L84 HydrophobicContact CD2-CB 4.49Å; F46-L84 HydrophobicContact CD2-CD2 4.16Å; F46-L84 HydrophobicContact CE2-CB 3.88Å; F46-L84 HydrophobicContact CE2-CD1 4.42Å; F46-L84 HydrophobicContact CE2-CD2 3.92Å; F46-L84 HydrophobicContact CE2-CG 4.29Å; F46-L84 HydrophobicContact CZ-CD1 4.25Å; F46-L84 HydrophobicContact CZ-CD2 4.18Å; L49-L84 HydrophobicContact CB-CD2 4.3Å; L49-L84 HydrophobicContact CD2-CD2 3.98Å; L49-L84 HydrophobicContact CG-CD2 3.89Å; E50-L84 HydrophobicContact CB-CD2 3.91Å; L53-L84 HydrophobicContact CD1-CD2 4.15Å; L53-L84 HydrophobicContact CD1-CG 4.05Å; P80-L84 WeakPolarHBondContact O-CB 3.47Å; P80-L84 PolarHBondContact O-N 3Å; C81-L84 WeakPolarHBondContact O-CB 3.48Å; C81-L84 PolarHBondContact O-N 3.49Å; C81-L84 VanDerWaalsContact O-N 3.16Å; V82-L84 VanDerWaalsContact C-N 3.32Å; V82-L84 PolarHBondContact O-N 3.23Å; L84-R87 PolarHBondContact O-N 3.42Å; L84-W88 VanDerWaalsContact O-CB 3.29Å; L84-W88 WeakPolarHBondContact O-CB 3.28Å; L84-W88 PolarHBondContact O-N 3.42Å
85I85.6Confident83.5Confident0 Ų052.4 Ų52.40%027%0.268CS..Hα-helixtrans-65.4-47.1179-66.2167.6000110.8A41 L49 P59 A69 L70 C81 V82 R87 W88 C89A41-I85 HydrophobicContact CB-CD1 4.12Å; L49-I85 HydrophobicContact CD2-CD1 4.2Å; L49-I85 HydrophobicContact CD2-CG1 4.13Å; P59-I85 HydrophobicContact CB-CG1 4.36Å; P59-I85 HydrophobicContact CB-CG2 3.97Å; P59-I85 HydrophobicContact CG-CG2 4.31Å; A69-I85 HydrophobicContact CB-CD1 4.29Å; L70-I85 HydrophobicContact CB-CG2 4.36Å; L70-I85 HydrophobicContact CD1-CB 4.28Å; L70-I85 HydrophobicContact CD1-CG2 4.13Å; C81-I85 WeakPolarHBondContact O-CG1 3.48Å; C81-I85 PolarHBondContact O-N 3.07Å; V82-I85 PolarHBondContact O-N 3.16Å; I85-R87 VanDerWaalsContact C-N 3.26Å; I85-R87 PolarHBondContact O-N 3.39Å; I85-W88 PolarHBondContact O-N 2.7Å; I85-W88 VanDerWaalsContact O-N 3.15Å; I85-C89 WeakPolarHBondContact O-CB 3.41Å; I85-C89 PolarHBondContact O-N 2.6Å
86M83.9Confident83Confident28 Ų2847.8 Ų47.814%0.13825%0.246CC..Hα-helixtrans-56.5-43.1176.7-74-17962.200111.6V82 A90 L91 V96V82-M86 HydrophobicContact CG1-CG 4.36Å; V82-M86 HydrophobicContact CG1-SD 3.92Å; V82-M86 WeakPolarHBondContact O-CB 3.43Å; V82-M86 VanDerWaalsContact O-CG 3.26Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 3.2Å; M86-A90 CarbonylContact O-C 3.59Å; M86-A90 VanDerWaalsContact O-CA 3.32Å; M86-A90 WeakPolarHBondContact O-CA 3.48Å; M86-A90 PolarHBondContact O-N 3Å; M86-L91 PolarHBondContact O-N 3.25Å; M86-V96 HydrophobicContact CE-CG2 3.81Å; M86-V96 HydrophobicContact CG-CG2 3.73Å; M86-V96 HydrophobicContact SD-CG2 3.98Å
87R77.3Confident82.6Confident103 Ų10345 Ų4539%0.38924%0.236SC..Hα-helixtrans-66-46.3175.8-179.7-176.8179.8140.512.1111.6R83 L84 I85 C89 A90 A128R83-R87 WeakPolarHBondContact O-CB 3.2Å; R83-R87 PolarHBondContact O-N 2.98Å; L84-R87 PolarHBondContact O-N 3.42Å; I85-R87 VanDerWaalsContact C-N 3.26Å; I85-R87 PolarHBondContact O-N 3.39Å; R87-C89 VanDerWaalsContact C-N 3.32Å; R87-C89 PolarHBondContact O-N 3.42Å; R87-A90 PolarHBondContact O-N 3.3Å; R87-A128 VanDerWaalsContact CZ-O 3.26Å; R87-A128 PolarHBondContact NH1-O 3.36Å; R87-A128 PolarHBondContact NH2-O 2.94Å; R87-A128 VanDerWaalsContact NH2-O 3.11Å
88W78.2Confident82.2Confident40 Ų4049.8 Ų49.815%0.15225%0.253CS..Hα-helixtrans-65.1-35.8-177.1-167.3-87.8000112.8L53 L84 I85 H226L53-W88 VanDerWaalsContact C-CZ2 3.45Å; L53-W88 HydrophobicContact CB-CD2 3.82Å; L53-W88 HydrophobicContact CB-CE3 4.13Å; L53-W88 HydrophobicContact CB-CG 4.32Å; L53-W88 HydrophobicContact CB-CH2 4.25Å; L53-W88 HydrophobicContact CB-CZ2 3.94Å; L53-W88 HydrophobicContact CB-CZ3 4.33Å; L53-W88 HydrophobicContact CD1-CB 4.14Å; L53-W88 HydrophobicContact CD1-CD2 4.1Å; L53-W88 HydrophobicContact CD1-CE3 4.37Å; L53-W88 HydrophobicContact CD1-CG 3.97Å; L53-W88 HydrophobicContact CD2-CG 4.29Å; L53-W88 HydrophobicContact CG-CD2 4.4Å; L53-W88 HydrophobicContact CG-CG 4.42Å; L53-W88 WeakPolarHBondContact O-CZ2 3.44Å; L84-W88 VanDerWaalsContact O-CB 3.29Å; L84-W88 WeakPolarHBondContact O-CB 3.28Å; L84-W88 PolarHBondContact O-N 3.42Å; I85-W88 PolarHBondContact O-N 2.7Å; I85-W88 VanDerWaalsContact O-N 3.15Å; W88-H226 AromaticContact CH2-CE1 3.71Å; W88-H226 AromaticContact CZ2-ND1 3.88Å; W88-H226 AromaticContact CZ3-CE1 3.8Å
89C77Confident81.7Confident31 Ų3151.1 Ų51.121%0.20926%0.26CS..THydrogen-bonded Turntrans-92.7-0.3177.6-650000113.2P59 L60 I85 R87 L91P59-C89 WeakPolarHBondContact CG-SG 3.2Å; L60-C89 HydrophobicContact CD2-CB 4.4Å; I85-C89 WeakPolarHBondContact O-CB 3.41Å; I85-C89 PolarHBondContact O-N 2.6Å; R87-C89 VanDerWaalsContact C-N 3.32Å; R87-C89 PolarHBondContact O-N 3.42Å; C89-L91 VanDerWaalsContact C-N 3.26Å; C89-L91 HydrophobicContact CB-CD1 3.82Å; C89-L91 HydrophobicContact CB-CD2 4.25Å; C89-L91 HydrophobicContact CB-CG 3.61Å; C89-L91 PolarHBondContact O-N 3Å
90A71.9Confident81.4Confident36 Ų3649.3 Ų49.330%0.29825%0.254SS..THydrogen-bonded Turntrans48.245.2-174.500000113.5M86 R87M86-A90 CarbonylContact O-C 3.59Å; M86-A90 VanDerWaalsContact O-CA 3.32Å; M86-A90 WeakPolarHBondContact O-CA 3.48Å; M86-A90 PolarHBondContact O-N 3Å; R87-A90 PolarHBondContact O-N 3.3Å
91L75.1Confident81.4Confident31 Ų3148.4 Ų48.416%0.16225%0.246CC..  trans-87132.8179.9-58.5172.8000110.3L70 M86 C89 V96 M99L70-L91 HydrophobicContact CD2-CD1 4.38Å; M86-L91 PolarHBondContact O-N 3.25Å; C89-L91 VanDerWaalsContact C-N 3.26Å; C89-L91 HydrophobicContact CB-CD1 3.82Å; C89-L91 HydrophobicContact CB-CD2 4.25Å; C89-L91 HydrophobicContact CB-CG 3.61Å; C89-L91 PolarHBondContact O-N 3Å; L91-V96 HydrophobicContact CB-CG2 3.64Å; L91-V96 HydrophobicContact CD1-CG2 4.17Å; L91-M99 HydrophobicContact CD1-CE 4.33Å; L91-M99 HydrophobicContact CD1-SD 4.11Å; L91-M99 HydrophobicContact CD2-CE 4.41Å; L91-M99 HydrophobicContact CD2-SD 3.68Å
92D74.4Confident81.4Confident75 Ų7554 Ų5440%0.40128%0.28SS..  trans-84.3164.516973.83.6000111.3K94 S95 V96D92-K94 PolarHBondContact O-N 2.69Å; D92-K94 VanDerWaalsContact O-N 3.1Å; D92-K94 PolarHBondContact OD1-N 3.41Å; D92-S95 PolarHBondContact O-N 3.35Å; D92-S95 VanDerWaalsContact O-N 3.17Å; D92-S95 WeakPolarHBondContact OD1-CB 3.49Å; D92-S95 PolarHBondContact OD1-N 2.99Å; D92-S95 PolarHBondContact OD1-OG 3.03Å; D92-V96 WeakPolarHBondContact O-CG2 2.81Å; D92-V96 PolarHBondContact O-N 2.94Å
93A75.4Confident81.4Confident48 Ų4858 Ų5840%0.39731%0.307SS..Hα-helixtrans-56.3-31.5-177.600000112.9T97 L112A93-T97 WeakPolarHBondContact O-CG2 3.11Å; A93-T97 PolarHBondContact O-N 3.02Å; A93-T97 VanDerWaalsContact O-N 3.12Å; A93-T97 PolarHBondContact O-OG1 3.4Å; A93-L112 HydrophobicContact CB-CD1 4.2Å; A93-L112 HydrophobicContact CB-CD2 4.06Å
94K77.8Confident81.6Confident132 Ų13253.1 Ų53.157%0.57429%0.289SS*.Hα-helixtrans-73-45.3-179.4-174-173.9172.8-159.80111.1D92 V96 T97 E98D92-K94 PolarHBondContact O-N 2.69Å; D92-K94 VanDerWaalsContact O-N 3.1Å; D92-K94 PolarHBondContact OD1-N 3.41Å; K94-V96 VanDerWaalsContact C-N 3.32Å; K94-V96 PolarHBondContact O-N 3.23Å; K94-T97 WeakPolarHBondContact CA-OG1 3.42Å; K94-T97 PolarHBondContact O-N 2.81Å; K94-T97 PolarHBondContact O-OG1 2.98Å; K94-E98 WeakPolarHBondContact CE-OE1 3.49Å; K94-E98 IonicContact NZ-OE1 2.77Å; K94-E98 WeakPolarHBondContact O-CG 3.25Å; K94-E98 PolarHBondContact O-N 3.27Å
95S79.7Confident81.8Confident42 Ų4254 Ų5429%0.29429%0.294SS..Hα-helixtrans-62.8-42.5178-57.50000110.4D92 T97 E98 M99D92-S95 PolarHBondContact O-N 3.35Å; D92-S95 VanDerWaalsContact O-N 3.17Å; D92-S95 WeakPolarHBondContact OD1-CB 3.49Å; D92-S95 PolarHBondContact OD1-N 2.99Å; D92-S95 PolarHBondContact OD1-OG 3.03Å; S95-T97 PolarHBondContact O-N 3.3Å; S95-E98 PolarHBondContact O-N 2.72Å; S95-M99 WeakPolarHBondContact O-CB 3.32Å; S95-M99 WeakPolarHBondContact O-CG 3.37Å; S95-M99 PolarHBondContact O-N 3.29Å
96V82.3Confident81.9Confident0 Ų060 Ų600%032%0.322CS..Hα-helixtrans-58.8-48.3173.4174.90000110.6L70 M86 L91 D92 K94 E98 M99 V100 L108L70-V96 HydrophobicContact CD2-CG1 4Å; L70-V96 HydrophobicContact CD2-CG2 4.45Å; M86-V96 HydrophobicContact CE-CG2 3.81Å; M86-V96 HydrophobicContact CG-CG2 3.73Å; M86-V96 HydrophobicContact SD-CG2 3.98Å; L91-V96 HydrophobicContact CB-CG2 3.64Å; L91-V96 HydrophobicContact CD1-CG2 4.17Å; D92-V96 WeakPolarHBondContact O-CG2 2.81Å; D92-V96 PolarHBondContact O-N 2.94Å; K94-V96 VanDerWaalsContact C-N 3.32Å; K94-V96 PolarHBondContact O-N 3.23Å; V96-E98 PolarHBondContact O-N 3.4Å; V96-M99 PolarHBondContact O-N 3.11Å; V96-M99 VanDerWaalsContact O-N 3.12Å; V96-V100 HydrophobicContact CG1-CG1 4.02Å; V96-V100 WeakPolarHBondContact O-CG1 3.42Å; V96-V100 WeakPolarHBondContact O-CG2 3.39Å; V96-V100 PolarHBondContact O-N 3.2Å; V96-L108 HydrophobicContact CB-CD2 4.42Å; V96-L108 HydrophobicContact CG1-CD1 3.95Å; V96-L108 HydrophobicContact CG1-CD2 3.41Å; V96-L108 VanDerWaalsContact CG1-CD2 3.41Å; V96-L108 HydrophobicContact CG1-CG 4.31Å
97T84.4Confident82.2Confident44 Ų4462.5 Ų62.527%0.2733%0.332SS..Hα-helixtrans-63.8-23.917952.20000114.5A93 K94 S95 L105 L108 L112A93-T97 WeakPolarHBondContact O-CG2 3.11Å; A93-T97 PolarHBondContact O-N 3.02Å; A93-T97 VanDerWaalsContact O-N 3.12Å; A93-T97 PolarHBondContact O-OG1 3.4Å; K94-T97 WeakPolarHBondContact CA-OG1 3.42Å; K94-T97 PolarHBondContact O-N 2.81Å; K94-T97 PolarHBondContact O-OG1 2.98Å; S95-T97 PolarHBondContact O-N 3.3Å; T97-L105 HydrophobicContact CG2-CD1 4.13Å; T97-L108 HydrophobicContact CG2-CD2 3.86Å; T97-L112 HydrophobicContact CG2-CD1 3.81Å
98E83.8Confident82.7Confident138 Ų13857.6 Ų57.665%0.64531%0.314SS*.Hα-helixtrans-86.4-23.4176.4-71.4174.5-17700112.5K94 S95 V96K94-E98 WeakPolarHBondContact CE-OE1 3.49Å; K94-E98 IonicContact NZ-OE1 2.77Å; K94-E98 WeakPolarHBondContact O-CG 3.25Å; K94-E98 PolarHBondContact O-N 3.27Å; S95-E98 PolarHBondContact O-N 2.72Å; V96-E98 PolarHBondContact O-N 3.4Å
99M82.3Confident83.1Confident83 Ų8359.5 Ų59.541%0.40932%0.323SS..Hα-helixtrans-92.9-32.3-176.4-73.5176.268.200113.9L60 L91 S95 V96L60-M99 HydrophobicContact CD2-CE 3.78Å; L91-M99 HydrophobicContact CD1-CE 4.33Å; L91-M99 HydrophobicContact CD1-SD 4.11Å; L91-M99 HydrophobicContact CD2-CE 4.41Å; L91-M99 HydrophobicContact CD2-SD 3.68Å; S95-M99 WeakPolarHBondContact O-CB 3.32Å; S95-M99 WeakPolarHBondContact O-CG 3.37Å; S95-M99 PolarHBondContact O-N 3.29Å; V96-M99 PolarHBondContact O-N 3.11Å; V96-M99 VanDerWaalsContact O-N 3.12Å
100V86.2Confident83.6Confident14 Ų1460.5 Ų60.59%0.08533%0.333CS..SBendtrans-73.2152.4-174.8-65.10000112.2L70 D71 I74 V96 V104 L105 L108L70-V100 HydrophobicContact CD2-CG1 3.85Å; L70-V100 HydrophobicContact CG-CG1 4.05Å; D71-V100 WeakPolarHBondContact OD1-CA 3.23Å; D71-V100 WeakPolarHBondContact OD1-CB 3.34Å; I74-V100 HydrophobicContact CD1-CB 4.47Å; I74-V100 HydrophobicContact CD1-CG1 3.63Å; V96-V100 HydrophobicContact CG1-CG1 4.02Å; V96-V100 WeakPolarHBondContact O-CG1 3.42Å; V96-V100 WeakPolarHBondContact O-CG2 3.39Å; V96-V100 PolarHBondContact O-N 3.2Å; V100-V104 HydrophobicContact CB-CG2 3.87Å; V100-V104 HydrophobicContact CG2-CG2 4.28Å; V100-L105 HydrophobicContact CG2-CD1 3.97Å; V100-L108 HydrophobicContact CG1-CD2 4.21Å; V100-L108 HydrophobicContact CG2-CD2 3.7Å
101N87.1Confident84.2Confident46 Ų4659.2 Ų59.225%0.24632%0.321CS..  trans-61.2143.7174.7-164.7-55.8000110.6M67 D71 C103 V104 L105M67-N101 HydrophobicContact SD-CB 3.68Å; D71-N101 PolarHBondContact OD1-N 2.78Å; N101-C103 VanDerWaalsContact CG-SG 3.56Å; N101-C103 PolarHBondContact O-N 3.5Å; N101-C103 VanDerWaalsContact O-N 3.1Å; N101-C103 PolarHBondContact OD1-N 3.43Å; N101-C103 VanDerWaalsContact OD1-N 3.16Å; N101-C103 PolarHBondContact OD1-SG 3.06Å; N101-V104 HydrophobicContact CB-CG2 4.47Å; N101-V104 WeakPolarHBondContact O-CG2 3.24Å; N101-V104 PolarHBondContact O-N 3.28Å; N101-V104 VanDerWaalsContact O-N 3.1Å; N101-L105 PolarHBondContact O-N 2.85Å
102V88.6Confident84.5Confident120 Ų12058.8 Ų58.873%0.72732%0.319SS*.Hα-helixtrans-56.5-31-178.8-170.50000111.6V104 L105V102-V104 VanDerWaalsContact C-N 3.3Å; V102-V104 PolarHBondContact O-N 3.21Å; V102-L105 WeakPolarHBondContact O-CB 3.31Å; V102-L105 PolarHBondContact O-N 3.41Å
103C89Confident84.7Confident84 Ų8460.1 Ų60.157%0.56833%0.326SS*.Hα-helixtrans-63-31.918063.90000113.7N101N101-C103 VanDerWaalsContact CG-SG 3.56Å; N101-C103 PolarHBondContact O-N 3.5Å; N101-C103 VanDerWaalsContact O-N 3.1Å; N101-C103 PolarHBondContact OD1-N 3.43Å; N101-C103 VanDerWaalsContact OD1-N 3.16Å; N101-C103 PolarHBondContact OD1-SG 3.06Å
104V89.7Confident84.6Confident4 Ų463.7 Ų63.72%0.02433%0.334CS..Hα-helixtrans-98.6-7.8-178.1-64.50000113.2M67 D71 I74 E75 V100 N101 V102 E106 K107 L108M67-V104 HydrophobicContact CE-CG1 4.36Å; D71-V104 HydrophobicContact CB-CG2 4.18Å; D71-V104 WeakPolarHBondContact OD1-CG2 3.01Å; I74-V104 HydrophobicContact CB-CB 4.18Å; I74-V104 HydrophobicContact CD1-CG2 4.45Å; I74-V104 HydrophobicContact CG2-CB 3.78Å; I74-V104 HydrophobicContact CG2-CG1 4.47Å; I74-V104 HydrophobicContact CG2-CG2 4.41Å; E75-V104 HydrophobicContact CB-CG1 3.82Å; E75-V104 HydrophobicContact CG-CG1 4.5Å; V100-V104 HydrophobicContact CB-CG2 3.87Å; V100-V104 HydrophobicContact CG2-CG2 4.28Å; N101-V104 HydrophobicContact CB-CG2 4.47Å; N101-V104 WeakPolarHBondContact O-CG2 3.24Å; N101-V104 PolarHBondContact O-N 3.28Å; N101-V104 VanDerWaalsContact O-N 3.1Å; V102-V104 VanDerWaalsContact C-N 3.3Å; V102-V104 PolarHBondContact O-N 3.21Å; V104-E106 VanDerWaalsContact C-N 3.34Å; V104-E106 PolarHBondContact O-N 3.09Å; V104-K107 PolarHBondContact O-N 2.8Å; V104-K107 VanDerWaalsContact O-N 3.12Å; V104-L108 PolarHBondContact O-N 3.39Å
105L88.2Confident84Confident34 Ų3460.8 Ų60.818%0.17832%0.324CS..Hα-helixtrans-59.2-40.5-172.3-17665.1000113.1T97 V100 N101 V102 L108 K109T97-L105 HydrophobicContact CG2-CD1 4.13Å; V100-L105 HydrophobicContact CG2-CD1 3.97Å; N101-L105 PolarHBondContact O-N 2.85Å; V102-L105 WeakPolarHBondContact O-CB 3.31Å; V102-L105 PolarHBondContact O-N 3.41Å; L105-L108 PolarHBondContact O-N 3.12Å; L105-K109 HydrophobicContact CG-CD 4.42Å; L105-K109 WeakPolarHBondContact O-CB 3.1Å; L105-K109 VanDerWaalsContact O-CG 3.3Å; L105-K109 WeakPolarHBondContact O-CG 3.14Å; L105-K109 PolarHBondContact O-N 2.85Å
106E87.7Confident82.9Confident128 Ų12864 Ų6460%0.59834%0.337SS*.Hα-helixtrans-67.6-37.7178.9-69-57.2123.100112V104 K109 A110V104-E106 VanDerWaalsContact C-N 3.34Å; V104-E106 PolarHBondContact O-N 3.09Å; E106-K109 PolarHBondContact O-N 3.09Å; E106-K109 IonicContact OE1-NZ 3.94Å; E106-K109 PolarHBondContact OE1-NZ 3.12Å; E106-A110 PolarHBondContact O-N 3.28Å
107K90.2Very high81Confident80 Ų8070.2 Ų70.235%0.34837%0.366SS..Hα-helixtrans-68.8-39.4176-168.3168.7176178.70111.3I74 E75 W79 V104 A110 F111I74-K107 HydrophobicContact CG2-CB 4.15Å; I74-K107 HydrophobicContact CG2-CG 4.29Å; I74-K107 WeakPolarHBondContact O-CD 3.45Å; I74-K107 WeakPolarHBondContact O-CE 3.32Å; I74-K107 PolarHBondContact O-NZ 2.96Å; E75-K107 PolarHBondContact O-NZ 3.2Å; W79-K107 HydrophobicContact CH2-CG 3.97Å; W79-K107 HydrophobicContact CZ2-CG 4.27Å; V104-K107 PolarHBondContact O-N 2.8Å; V104-K107 VanDerWaalsContact O-N 3.12Å; K107-A110 PolarHBondContact O-N 3.01Å; K107-F111 PolarHBondContact O-N 3.44Å; K107-F111 VanDerWaalsContact O-N 3.09Å
108L88Confident78.8Confident0 Ų072.5 Ų72.50%037%0.373CS..Hα-helixtrans-62.7-46.1171.7176.965000111.6I74 V96 T97 V100 V104 L105 A110 F111 L112I74-L108 HydrophobicContact CD1-CB 4.25Å; I74-L108 HydrophobicContact CD1-CD1 3.99Å; I74-L108 HydrophobicContact CD1-CD2 4.35Å; I74-L108 HydrophobicContact CD1-CG 4.41Å; I74-L108 HydrophobicContact CG1-CD1 4.43Å; I74-L108 HydrophobicContact CG2-CB 4.1Å; V96-L108 HydrophobicContact CB-CD2 4.42Å; V96-L108 HydrophobicContact CG1-CD1 3.95Å; V96-L108 HydrophobicContact CG1-CD2 3.41Å; V96-L108 VanDerWaalsContact CG1-CD2 3.41Å; V96-L108 HydrophobicContact CG1-CG 4.31Å; T97-L108 HydrophobicContact CG2-CD2 3.86Å; V100-L108 HydrophobicContact CG1-CD2 4.21Å; V100-L108 HydrophobicContact CG2-CD2 3.7Å; V104-L108 PolarHBondContact O-N 3.39Å; L105-L108 PolarHBondContact O-N 3.12Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.4Å; L108-F111 HydrophobicContact CD1-CD1 4.44Å; L108-F111 CarbonylContact O-C 3.59Å; L108-F111 PolarHBondContact O-N 3.06Å; L108-L112 HydrophobicContact CD1-CD1 4.05Å; L108-L112 HydrophobicContact CD1-CG 3.98Å; L108-L112 HydrophobicContact CD2-CD1 4.27Å; L108-L112 HydrophobicContact CG-CD1 3.82Å; L108-L112 HydrophobicContact CG-CG 4.16Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 WeakPolarHBondContact O-CG 3.27Å; L108-L112 PolarHBondContact O-N 3.24Å
109K87.1Confident76.3Confident79 Ų7969.3 Ų69.334%0.34337%0.367SS..Hα-helixtrans-60.4-43.3177.8-76.4173-173162.30111.5L105 E106 F111 L112 D113L105-K109 HydrophobicContact CG-CD 4.42Å; L105-K109 WeakPolarHBondContact O-CB 3.1Å; L105-K109 VanDerWaalsContact O-CG 3.3Å; L105-K109 WeakPolarHBondContact O-CG 3.14Å; L105-K109 PolarHBondContact O-N 2.85Å; E106-K109 PolarHBondContact O-N 3.09Å; E106-K109 IonicContact OE1-NZ 3.94Å; E106-K109 PolarHBondContact OE1-NZ 3.12Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 PolarHBondContact O-N 3.18Å; K109-L112 PolarHBondContact O-N 2.85Å; K109-D113 VanDerWaalsContact O-CB 3.31Å; K109-D113 WeakPolarHBondContact O-CB 3.45Å; K109-D113 PolarHBondContact O-N 3.11Å
110A87.6Confident73.9Confident52 Ų5272.6 Ų72.643%0.4338%0.379SS..Hα-helixtrans-58.4-44.617500000111.6E106 K107 L108 D113 E114E106-A110 PolarHBondContact O-N 3.28Å; K107-A110 PolarHBondContact O-N 3.01Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.4Å; A110-D113 PolarHBondContact O-N 2.94Å; A110-E114 WeakPolarHBondContact O-CB 3.29Å; A110-E114 WeakPolarHBondContact O-CG 3.41Å; A110-E114 PolarHBondContact O-N 3.28Å
111F83.2Confident71.3Confident10 Ų1077.7 Ų77.74%0.04440%0.404CS..Hα-helixtrans-66.2-40.1174.9172.2-107.9000113.3W79 V82 R83 K107 L108 K109 E114 M115W79-F111 HydrophobicContact CB-CD2 4.24Å; W79-F111 HydrophobicContact CB-CE2 3.56Å; W79-F111 HydrophobicContact CB-CZ 3.85Å; W79-F111 HydrophobicContact CD2-CB 4.22Å; W79-F111 HydrophobicContact CD2-CD1 4.24Å; W79-F111 AromaticContact CD2-CD2 3.3Å; W79-F111 HydrophobicContact CD2-CD2 3.3Å; W79-F111 HydrophobicContact CD2-CE1 4.44Å; W79-F111 AromaticContact CD2-CE2 3.59Å; W79-F111 HydrophobicContact CD2-CE2 3.59Å; W79-F111 AromaticContact CD2-CG 3.66Å; W79-F111 HydrophobicContact CD2-CG 3.66Å; W79-F111 HydrophobicContact CD2-CZ 4.14Å; W79-F111 AromaticContact CE2-CD2 3.65Å; W79-F111 AromaticContact CE2-CG 4Å; W79-F111 HydrophobicContact CE3-CB 3.91Å; W79-F111 AromaticContact CE3-CD1 3.54Å; W79-F111 HydrophobicContact CE3-CD1 3.54Å; W79-F111 AromaticContact CE3-CD2 3.51Å; W79-F111 HydrophobicContact CE3-CD2 3.51Å; W79-F111 AromaticContact CE3-CE1 3.83Å; W79-F111 HydrophobicContact CE3-CE1 3.83Å; W79-F111 AromaticContact CE3-CE2 3.83Å; W79-F111 HydrophobicContact CE3-CE2 3.83Å; W79-F111 AromaticContact CE3-CG 3.35Å; W79-F111 HydrophobicContact CE3-CG 3.35Å; W79-F111 AromaticContact CE3-CZ 3.96Å; W79-F111 HydrophobicContact CE3-CZ 3.96Å; W79-F111 AromaticContact CG-CD2 3.63Å; W79-F111 HydrophobicContact CG-CD2 3.63Å; W79-F111 AromaticContact CG-CE2 3.46Å; W79-F111 HydrophobicContact CG-CE2 3.46Å; W79-F111 VanDerWaalsContact CG-CE2 3.46Å; W79-F111 HydrophobicContact CG-CG 4.41Å; W79-F111 HydrophobicContact CG-CZ 4.11Å; W79-F111 HydrophobicContact CH2-CB 3.36Å; W79-F111 HydrophobicContact CH2-CD1 4.45Å; W79-F111 HydrophobicContact CH2-CD2 4.33Å; W79-F111 AromaticContact CH2-CG 3.82Å; W79-F111 HydrophobicContact CH2-CG 3.82Å; W79-F111 HydrophobicContact CZ2-CB 3.7Å; W79-F111 HydrophobicContact CZ2-CD2 4.17Å; W79-F111 HydrophobicContact CZ2-CG 4.1Å; W79-F111 HydrophobicContact CZ3-CB 3.48Å; W79-F111 VanDerWaalsContact CZ3-CB 3.48Å; W79-F111 AromaticContact CZ3-CD1 3.67Å; W79-F111 HydrophobicContact CZ3-CD1 3.67Å; W79-F111 HydrophobicContact CZ3-CD2 4.03Å; W79-F111 HydrophobicContact CZ3-CE1 4.38Å; W79-F111 AromaticContact CZ3-CG 3.45Å; W79-F111 HydrophobicContact CZ3-CG 3.45Å; W79-F111 VanDerWaalsContact CZ3-CG 3.45Å; V82-F111 HydrophobicContact CG1-CE1 4.4Å; R83-F111 HydrophobicContact CG-CZ 4.42Å; K107-F111 PolarHBondContact O-N 3.44Å; K107-F111 VanDerWaalsContact O-N 3.09Å; L108-F111 HydrophobicContact CD1-CD1 4.44Å; L108-F111 CarbonylContact O-C 3.59Å; L108-F111 PolarHBondContact O-N 3.06Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 PolarHBondContact O-N 3.18Å; F111-E114 CarbonylContact O-C 3.5Å; F111-E114 PolarHBondContact O-N 3.32Å; F111-M115 HydrophobicContact CD1-CG 4.36Å; F111-M115 HydrophobicContact CD1-SD 3.98Å; F111-M115 HydrophobicContact CD2-CG 4.36Å; F111-M115 HydrophobicContact CE1-CG 3.97Å; F111-M115 HydrophobicContact CE1-SD 3.21Å; F111-M115 WeakPolarHBondContact CE1-SD 3.48Å; F111-M115 HydrophobicContact CE2-CG 3.94Å; F111-M115 HydrophobicContact CE2-SD 4.13Å; F111-M115 HydrophobicContact CZ-CG 3.74Å; F111-M115 HydrophobicContact CZ-SD 3.3Å; F111-M115 WeakPolarHBondContact CZ-SD 3.32Å; F111-M115 WeakPolarHBondContact O-CB 3.42Å; F111-M115 VanDerWaalsContact O-CG 3.31Å; F111-M115 WeakPolarHBondContact O-CG 3.45Å; F111-M115 PolarHBondContact O-N 2.72Å
112L80.9Confident68.5Low21 Ų2177.4 Ų77.411%0.1140%0.402CS..Hα-helixtrans-69.1-37.3177.2-71.6176.1000111.5A93 T97 L108 K109 M115 L116A93-L112 HydrophobicContact CB-CD1 4.2Å; A93-L112 HydrophobicContact CB-CD2 4.06Å; T97-L112 HydrophobicContact CG2-CD1 3.81Å; L108-L112 HydrophobicContact CD1-CD1 4.05Å; L108-L112 HydrophobicContact CD1-CG 3.98Å; L108-L112 HydrophobicContact CD2-CD1 4.27Å; L108-L112 HydrophobicContact CG-CD1 3.82Å; L108-L112 HydrophobicContact CG-CG 4.16Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 WeakPolarHBondContact O-CG 3.27Å; L108-L112 PolarHBondContact O-N 3.24Å; K109-L112 PolarHBondContact O-N 2.85Å; L112-M115 HydrophobicContact CD2-SD 4.41Å; L112-M115 CarbonylContact O-C 3.55Å; L112-M115 WeakPolarHBondContact O-CB 3.34Å; L112-M115 PolarHBondContact O-N 3.4Å; L112-L116 WeakPolarHBondContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.34Å
113D78.9Confident65.7Low104 Ų10473.6 Ų73.656%0.55638%0.381SS*.Hα-helixtrans-66.9-42.9173.6-80.6-14.2000110.5K109 A110 L116 H117K109-D113 VanDerWaalsContact O-CB 3.31Å; K109-D113 WeakPolarHBondContact O-CB 3.45Å; K109-D113 PolarHBondContact O-N 3.11Å; A110-D113 PolarHBondContact O-N 2.94Å; D113-L116 CarbonylContact O-C 3.57Å; D113-L116 PolarHBondContact O-N 3.11Å; D113-H117 WeakPolarHBondContact O-CB 3.4Å; D113-H117 PolarHBondContact O-N 3.32Å
114E73.2Confident62.9Low122 Ų12270.4 Ų70.457%0.5736%0.36SS*.Hα-helixtrans-61.6-41.5169.9-78.8-179-177.300111.2A110 F111 L116 H117 E118A110-E114 WeakPolarHBondContact O-CB 3.29Å; A110-E114 WeakPolarHBondContact O-CG 3.41Å; A110-E114 PolarHBondContact O-N 3.28Å; F111-E114 CarbonylContact O-C 3.5Å; F111-E114 PolarHBondContact O-N 3.32Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 3.14Å; E114-H117 CarbonylContact O-C 3.52Å; E114-H117 PolarHBondContact O-N 2.67Å; E114-E118 WeakPolarHBondContact O-CA 3.49Å; E114-E118 WeakPolarHBondContact O-CB 3.27Å; E114-E118 VanDerWaalsContact O-CG 3.26Å; E114-E118 WeakPolarHBondContact O-CG 3.44Å; E114-E118 PolarHBondContact O-N 2.79Å
115M65.7Low60Low71 Ų7176.4 Ų76.435%0.3539%0.391SS..Hα-helixtrans-64.3-34.5173.9-81-169.668.200112.4F111 L112 S119F111-M115 HydrophobicContact CD1-CG 4.36Å; F111-M115 HydrophobicContact CD1-SD 3.98Å; F111-M115 HydrophobicContact CD2-CG 4.36Å; F111-M115 HydrophobicContact CE1-CG 3.97Å; F111-M115 HydrophobicContact CE1-SD 3.21Å; F111-M115 WeakPolarHBondContact CE1-SD 3.48Å; F111-M115 HydrophobicContact CE2-CG 3.94Å; F111-M115 HydrophobicContact CE2-SD 4.13Å; F111-M115 HydrophobicContact CZ-CG 3.74Å; F111-M115 HydrophobicContact CZ-SD 3.3Å; F111-M115 WeakPolarHBondContact CZ-SD 3.32Å; F111-M115 WeakPolarHBondContact O-CB 3.42Å; F111-M115 VanDerWaalsContact O-CG 3.31Å; F111-M115 WeakPolarHBondContact O-CG 3.45Å; F111-M115 PolarHBondContact O-N 2.72Å; L112-M115 HydrophobicContact CD2-SD 4.41Å; L112-M115 CarbonylContact O-C 3.55Å; L112-M115 WeakPolarHBondContact O-CB 3.34Å; L112-M115 PolarHBondContact O-N 3.4Å; M115-S119 WeakPolarHBondContact O-CB 3.49Å; M115-S119 PolarHBondContact O-N 2.84Å
116L56.1Low57.2Low110 Ų11079.1 Ų79.158%0.57642%0.419SS*.Hα-helixtrans-76.5-33.2176.1-72.3168.9000111.4L112 D113 E114 S119 F120L112-L116 WeakPolarHBondContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.34Å; D113-L116 CarbonylContact O-C 3.57Å; D113-L116 PolarHBondContact O-N 3.11Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 3.14Å; L116-S119 WeakPolarHBondContact O-CB 3.39Å; L116-S119 PolarHBondContact O-N 3.39Å; L116-S119 PolarHBondContact O-OG 2.84Å; L116-F120 PolarHBondContact O-N 3.3Å
117H43.9Very low54.4Low130 Ų13077.3 Ų77.360%0.60242%0.416SS*.Hα-helixtrans-77.3-32.5172.5-113.424.5000112.4D113 E114 S119 F120 I121D113-H117 WeakPolarHBondContact O-CB 3.4Å; D113-H117 PolarHBondContact O-N 3.32Å; E114-H117 CarbonylContact O-C 3.52Å; E114-H117 PolarHBondContact O-N 2.67Å; H117-S119 VanDerWaalsContact C-N 3.32Å; H117-F120 CarbonylContact O-C 3.55Å; H117-F120 WeakPolarHBondContact O-CA 3.38Å; H117-F120 VanDerWaalsContact O-CB 3.29Å; H117-F120 WeakPolarHBondContact O-CB 3.35Å; H117-F120 PolarHBondContact O-N 3.05Å; H117-I121 WeakPolarHBondContact O-CB 3.35Å; H117-I121 WeakPolarHBondContact O-CG1 3.48Å; H117-I121 PolarHBondContact O-N 3.05Å
118E36.5Very low51.7Low92 Ų9276.8 Ų76.843%0.4343%0.427SS..Hα-helixtrans-63.9-40.4163.7-75.8-168.3157.100108.1E114 F120 I121 I122E114-E118 WeakPolarHBondContact O-CA 3.49Å; E114-E118 WeakPolarHBondContact O-CB 3.27Å; E114-E118 VanDerWaalsContact O-CG 3.26Å; E114-E118 WeakPolarHBondContact O-CG 3.44Å; E114-E118 PolarHBondContact O-N 2.79Å; E118-F120 PolarHBondContact O-N 2.79Å; E118-I121 PolarHBondContact O-N 2.99Å; E118-I121 VanDerWaalsContact O-N 3.13Å; E118-I122 CarbonylContact C-O 3.42Å; E118-I122 HydrophobicContact CB-CB 4.05Å; E118-I122 HydrophobicContact CB-CD1 4.02Å; E118-I122 HydrophobicContact CB-CG1 4.24Å; E118-I122 HydrophobicContact CG-CD1 3.59Å; E118-I122 HydrophobicContact CG-CG1 4.22Å; E118-I122 CarbonylContact O-C 3.58Å; E118-I122 WeakPolarHBondContact O-CA 3.32Å; E118-I122 WeakPolarHBondContact O-CB 3.16Å; E118-I122 PolarHBondContact O-N 3.26Å
119S32.9Very low48.9Very low72 Ų7279.3 Ų79.350%0.50345%0.448SS..Hα-helixtrans-59.5-17.4170.585.40000114.4M115 L116 H117M115-S119 WeakPolarHBondContact O-CB 3.49Å; M115-S119 PolarHBondContact O-N 2.84Å; L116-S119 WeakPolarHBondContact O-CB 3.39Å; L116-S119 PolarHBondContact O-N 3.39Å; L116-S119 PolarHBondContact O-OG 2.84Å; H117-S119 VanDerWaalsContact C-N 3.32Å
120F30.4Very low46.2Very low152 Ų15279.5 Ų79.567%0.66746%0.459SS*.Hα-helixtrans-98.5-25177.4-172.3-98.4000114.7L116 H117 E118L116-F120 PolarHBondContact O-N 3.3Å; H117-F120 CarbonylContact O-C 3.55Å; H117-F120 WeakPolarHBondContact O-CA 3.38Å; H117-F120 VanDerWaalsContact O-CB 3.29Å; H117-F120 WeakPolarHBondContact O-CB 3.35Å; H117-F120 PolarHBondContact O-N 3.05Å; E118-F120 PolarHBondContact O-N 2.79Å
121I31.8Very low43.5Very low121 Ų12180.9 Ų80.962%0.62146%0.463SS*.Hα-helixtrans-111.9-19-179.6-59.4-76000111.8H117 E118H117-I121 WeakPolarHBondContact O-CB 3.35Å; H117-I121 WeakPolarHBondContact O-CG1 3.48Å; H117-I121 PolarHBondContact O-N 3.05Å; E118-I121 PolarHBondContact O-N 2.99Å; E118-I121 VanDerWaalsContact O-N 3.13Å
122I28.9Very low41.1Very low40 Ų4086.1 Ų86.121%0.20550%0.498CS..  trans-138.879.3-174.3-53.5-176.9000106.9E118 S124 N125E118-I122 CarbonylContact C-O 3.42Å; E118-I122 HydrophobicContact CB-CB 4.05Å; E118-I122 HydrophobicContact CB-CD1 4.02Å; E118-I122 HydrophobicContact CB-CG1 4.24Å; E118-I122 HydrophobicContact CG-CD1 3.59Å; E118-I122 HydrophobicContact CG-CG1 4.22Å; E118-I122 CarbonylContact O-C 3.58Å; E118-I122 WeakPolarHBondContact O-CA 3.32Å; E118-I122 WeakPolarHBondContact O-CB 3.16Å; E118-I122 PolarHBondContact O-N 3.26Å; I122-S124 VanDerWaalsContact CA-OG 3.24Å; I122-S124 WeakPolarHBondContact CA-OG 3.34Å; I122-S124 VanDerWaalsContact CG2-N 3.33Å; I122-S124 WeakPolarHBondContact CG2-OG 3.38Å; I122-S124 PolarHBondContact O-N 2.93Å; I122-N125 HydrophobicContact CG2-CB 3.86Å
123S29Very low38.5Very low40 Ų4089.3 Ų89.328%0.2852%0.515SS..SBendtrans-65.47143.6-76.70000110.6S255 Q258S123-S255 WeakPolarHBondContact CB-OG 3.35Å; S123-S255 PolarHBondContact OG-OG 3.27Å; S123-Q258 WeakPolarHBondContact O-CB 3.44Å
124S31.5Very low36.2Very low17 Ų1791.8 Ų91.812%0.11953%0.529CS..SBendtrans-103.6-3.6-154.4550000118.4I122 Q258 E261I122-S124 VanDerWaalsContact CA-OG 3.24Å; I122-S124 WeakPolarHBondContact CA-OG 3.34Å; I122-S124 VanDerWaalsContact CG2-N 3.33Å; I122-S124 WeakPolarHBondContact CG2-OG 3.38Å; I122-S124 PolarHBondContact O-N 2.93Å; S124-Q258 PolarHBondContact O-OE1 3.02Å; S124-E261 WeakPolarHBondContact CB-OE2 3.45Å
125N28.1Very low33.9Very low129 Ų12991.9 Ų91.969%0.6953%0.532SS*.SBendtrans-153.386.6178.8-78.1-46.6000113.1I122I122-N125 HydrophobicContact CG2-CB 3.86Å
126A29.4Very low32.1Very low91 Ų9195.9 Ų95.975%0.75256%0.555SS**  trans152.278.914400000112.1
127V30Very low30.6Very low91 Ų9196 Ų9655%0.55257%0.566SS**  trans-99.370.1156.8-1550000107.3A129V127-A129 PolarHBondContact O-N 3.31Å
128A32Very low29.8Very low68 Ų6894.1 Ų94.156%0.56257%0.567SS**  trans-80.477.8173.300000109R87R87-A128 VanDerWaalsContact CZ-O 3.26Å; R87-A128 PolarHBondContact NH1-O 3.36Å; R87-A128 PolarHBondContact NH2-O 2.94Å; R87-A128 VanDerWaalsContact NH2-O 3.11Å
129A30.6Very low29.4Very low53 Ų5398.5 Ų98.544%0.43859%0.587SS.*  trans-58.4144.8155.300000109.3V127 A415V127-A129 PolarHBondContact O-N 3.31Å; A129-A415 HydrophobicContact CB-CB 3.96Å
130S28.9Very low29.2Very low84 Ų84102.8 Ų102.859%0.58760%0.603SS**  trans-4.6127176.1-43.40000117.7P132S130-P132 WeakPolarHBondContact O-CD 3.4Å
131P31.5Very low28.9Very low80 Ų80104 Ų10452%0.51962%0.615SS.*  trans-62129.1169.427.8-30.7000108.3L133P131-L133 PolarHBondContact O-N 3.16Å
132P33.4Very low28.6Very low120 Ų120102.9 Ų102.978%0.77962%0.618SS**  trans-69.9120159.428.3-27.4000107.3S130 N134S130-P132 WeakPolarHBondContact O-CD 3.4Å; P132-N134 VanDerWaalsContact C-N 3.3Å; P132-N134 PolarHBondContact O-N 3.48Å
133L25.7Very low28.4Very low89 Ų89108.9 Ų108.947%0.46665%0.646SS.*  trans-6097.5158.7-72.3139.7000107.7P131 G209 L210P131-L133 PolarHBondContact O-N 3.16Å; L133-G209 WeakPolarHBondContact CD1-O 3.32Å; L133-L210 HydrophobicContact CD1-CD2 3.95Å; L133-L210 HydrophobicContact CD1-CG 4.23Å
134N29.8Very low28.3Very low156 Ų156117.8 Ų117.883%0.83468%0.68SS**  trans-154.8103.2152.1-119.1-18.4000108.1P132 D136P132-N134 VanDerWaalsContact C-N 3.3Å; P132-N134 PolarHBondContact O-N 3.48Å; N134-D136 PolarHBondContact O-N 3.38Å
135L26.2Very low28.1Very low124 Ų124121.6 Ų121.665%0.64971%0.712SS**  trans-71.4108.7165.9-13184.3000106.7
136D27.7Very low28Very low154 Ų154124.3 Ų124.382%0.82472%0.72SS**  trans-146.691.7148-137.3-2.5000108.3N134 S138N134-D136 PolarHBondContact O-N 3.38Å; D136-S138 PolarHBondContact O-N 3.17Å
137S25.3Very low28Very low114 Ų114125.2 Ų125.280%0.79772%0.721SS**  trans-81.390.8179.1-55.20000109.4
138S25.2Very low28Very low90 Ų90128.7 Ų128.763%0.62974%0.737SS**  trans-155.9132.8150.361.50000110.1D136D136-S138 PolarHBondContact O-N 3.17Å
139Q29.6Very low27.9Very low184 Ų184131 Ų13186%0.8675%0.746SS**SBendtrans81.1100.4-173.9-461745.400111.3
140I27.5Very low28Very low161 Ų161135.7 Ų135.783%0.82677%0.769SS**  -168114.668.3-75.4150.4000107.3
141L23.9Very low28Very low177 Ų177141.5 Ų141.593%0.92778%0.784SS**  trans-123.8107.7163.2-91.1169.1000106.8
142S25.6Very low28Very low98 Ų98141.6 Ų141.669%0.68580%0.799SS**  trans168.4146.2144.259.60000110.4
143Q26.3Very low27.8Very low167 Ų167141.3 Ų141.378%0.7880%0.8SS**  trans97.380.8165.9-57-177.9-12.200116.1
144F25.5Very low28Very low227 Ų227142.8 Ų142.8100%0.99682%0.817SS**  -144.1122.5128.5-74.4-70.1000109.2
145A27.8Very low27.9Very low96 Ų96140.7 Ų140.779%0.79382%0.815SS**  trans-135.3112.6165.300000107.4
146E26.6Very low28.1Very low186 Ų186140.7 Ų140.787%0.86983%0.825SS**  trans28.3130.8147.7-64.1171-179.500121.5
147S29.9Very low28.1Very low111 Ų111143.1 Ų143.178%0.77683%0.829SS**  171.9119.2100.958.10000114.1
148D28.8Very low28.4Very low164 Ų164143 Ų14388%0.87783%0.825SS**  trans45.9151.7141.9-66.9-22.7000127.4
149P30.1Very low28.5Very low116 Ų116149.1 Ų149.175%0.75384%0.841SS**  trans-111.9163.8-160.139.8-26.4000115.3
150V33.6Very low28.6Very low152 Ų152142 Ų14292%0.92182%0.816SS**  trans-132.2137.2169.6179.50000111.9
151K28.8Very low28.7Very low206 Ų206144.4 Ų144.490%0.89682%0.815SS**  trans-72.8152.1-177.6-68.6174.7174.9175.30114.1
152G31.3Very low29Very low81 Ų81144.3 Ų144.384%0.83581%0.81SS**  trans-169.3113.316100000112.9
153S27.9Very low29.4Very low115 Ų115146 Ų14680%0.80481%0.81SS**  trans-82.9146.4179.954.40000113.6
154S31.7Very low29.6Very low119 Ų119142.1 Ų142.183%0.83279%0.794SS**  177.6139.1122.845.60000114.7
155S27.1Very low29.8Very low112 Ų112134.7 Ų134.778%0.78377%0.771SS**  trans-30.8141.3172.155.90000121.4
156S30.1Very low29.9Very low124 Ų124133.5 Ų133.587%0.86776%0.757SS**  -165.6151.6123.152.40000112.4
157K27Very low30.2Very low205 Ų205128.4 Ų128.489%0.89174%0.735SS**  trans-79.1156.7-156.7-65.2166.9173.8175.10115.4
158P31.3Very low30.3Very low111 Ų111129.3 Ų129.372%0.72173%0.726SS**  trans-99.5129.4-177.536-28000114.1
159F28.8Very low30.4Very low220 Ų220126.5 Ų126.597%0.96571%0.711SS**  trans-95.218.6170.3-170.7-104.5000112.4
160G30.9Very low30.5Very low33 Ų33126.5 Ų126.534%0.3470%0.704SS.*  trans-108.1-3.2-163.800000118.2E162 L164G160-E162 PolarHBondContact O-N 3.33Å; G160-L164 VanDerWaalsContact O-CD1 3.28Å; G160-L164 WeakPolarHBondContact O-CD1 3.47Å; G160-L164 VanDerWaalsContact O-CG 3.31Å; G160-L164 WeakPolarHBondContact O-CG 3.5Å
161R30.5Very low30.3Very low213 Ų213123.6 Ų123.680%0.80468%0.683SS**Hα-helixtrans-73.5-26.5-167.2-83.2-172.5179-174-0.4115.6
162E30.2Very low30.5Very low175 Ų175122.8 Ų122.882%0.81867%0.674SS**Hα-helixtrans-86.7-24.6-176-72.1-171.5163.300114.4G160 S165G160-E162 PolarHBondContact O-N 3.33Å; E162-S165 PolarHBondContact O-OG 2.91Å; E162-S165 VanDerWaalsContact O-OG 3.11Å
163L32.2Very low30.5Very low132 Ų132125.7 Ų125.769%0.69166%0.664SS**Hα-helixtrans-78.3-33.5175.6-140.787.8000111.7S166 I167L163-S166 PolarHBondContact O-N 3.22Å; L163-I167 HydrophobicContact CD2-CD1 4.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.14Å; L163-I167 PolarHBondContact O-N 3.4Å
164L30.7Very low30.7Very low86 Ų86123.4 Ų123.445%0.4565%0.646SS.*Hα-helixtrans-65.4-39-178.6-74.7168.2000112.6G160 S166 I167 H168G160-L164 VanDerWaalsContact O-CD1 3.28Å; G160-L164 WeakPolarHBondContact O-CD1 3.47Å; G160-L164 VanDerWaalsContact O-CG 3.31Å; G160-L164 WeakPolarHBondContact O-CG 3.5Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.34Å; L164-I167 PolarHBondContact O-N 3.04Å; L164-H168 WeakPolarHBondContact O-CB 3.41Å; L164-H168 PolarHBondContact O-CD2 2.88Å; L164-H168 PolarHBondContact O-N 3.49Å
165S31Very low30.8Very low72 Ų72124.4 Ų124.450%0.50364%0.635SS.*Hα-helixtrans-64-36.2179.262.10000112.4E162 L169E162-S165 PolarHBondContact O-OG 2.91Å; E162-S165 VanDerWaalsContact O-OG 3.11Å; S165-L169 PolarHBondContact O-N 3.16Å
166S29.9Very low31.2Very low71 Ų71123.5 Ų123.550%0.49762%0.624SS.*Hα-helixtrans-73.2-37.5178.3-620000112.3L163 L164 L169 L170L163-S166 PolarHBondContact O-N 3.22Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 3.34Å; S166-L169 PolarHBondContact O-N 3.41Å; S166-L170 PolarHBondContact O-N 3.13Å
167I32.2Very low31.4Very low79 Ų79124.8 Ų124.841%0.40562%0.617SS.*Hα-helixtrans-68.1-40175-67.2167.1000110.9L163 L164 L169 L170 N171L163-I167 HydrophobicContact CD2-CD1 4.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.14Å; L163-I167 PolarHBondContact O-N 3.4Å; L164-I167 PolarHBondContact O-N 3.04Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 3.07Å; I167-L170 PolarHBondContact O-N 3.16Å; I167-N171 WeakPolarHBondContact O-CB 3.47Å; I167-N171 PolarHBondContact O-N 3.44Å
168H31.7Very low31.9Very low129 Ų129119.1 Ų119.160%0.59759%0.593SS**Hα-helixtrans-62.4-39.2175.3-81.9-62000112.7L164 R172L164-H168 WeakPolarHBondContact O-CB 3.41Å; L164-H168 PolarHBondContact O-CD2 2.88Å; L164-H168 PolarHBondContact O-N 3.49Å; H168-R172 WeakPolarHBondContact O-CB 3.22Å; H168-R172 PolarHBondContact O-N 3.36Å; H168-R172 VanDerWaalsContact O-N 3.08Å
169L32.2Very low32.3Very low105 Ų105118.3 Ų118.355%0.5558%0.58SS.*Hα-helixtrans-69.9-36178.7-162.970.3000112.2S165 S166 I167 K173S165-L169 PolarHBondContact O-N 3.16Å; S166-L169 PolarHBondContact O-N 3.41Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-L169 PolarHBondContact O-N 3.07Å; L169-K173 PolarHBondContact O-N 3.37Å
170L30.9Very low32.8Very low117 Ų117112.4 Ų112.461%0.61356%0.562SS**Hα-helixtrans-67.6-49.1174.8-78.2160.6000111.3S166 I167 R172 K173 T174S166-L170 PolarHBondContact O-N 3.13Å; I167-L170 PolarHBondContact O-N 3.16Å; L170-R172 PolarHBondContact O-N 2.97Å; L170-K173 PolarHBondContact O-N 3.03Å; L170-T174 PolarHBondContact O-N 3.16Å; L170-T174 VanDerWaalsContact O-N 3.11Å; L170-T174 PolarHBondContact O-OG1 3.32Å
171N29.8Very low33.6Very low91 Ų91114.6 Ų114.649%0.48757%0.572SS.*Hα-helixtrans-61.4-30.8177.7-76.7-13.8000113.4I167 T174 K175I167-N171 WeakPolarHBondContact O-CB 3.47Å; I167-N171 PolarHBondContact O-N 3.44Å; N171-T174 WeakPolarHBondContact CA-OG1 3.36Å; N171-T174 PolarHBondContact O-OG1 2.85Å; N171-K175 WeakPolarHBondContact O-CB 3.41Å; N171-K175 PolarHBondContact O-N 3.28Å; N171-K175 VanDerWaalsContact O-N 3.08Å
172R32.6Very low34.4Very low188 Ų188107.7 Ų107.771%0.70955%0.554SS**Hα-helixtrans-71.2-35.6175.9-150.7176.4-168.2-178.23.9111.8H168 L170 V176H168-R172 WeakPolarHBondContact O-CB 3.22Å; H168-R172 PolarHBondContact O-N 3.36Å; H168-R172 VanDerWaalsContact O-N 3.08Å; L170-R172 PolarHBondContact O-N 2.97Å; R172-V176 VanDerWaalsContact O-CG2 3.24Å; R172-V176 WeakPolarHBondContact O-CG2 3.28Å; R172-V176 PolarHBondContact O-N 3.36Å
173K31.5Very low35.4Very low143 Ų143103 Ų10362%0.62253%0.534SS*.Hα-helixtrans-72.6-37.5176.9-74.6-177.2175.9-176.60112.2L169 L170 Q177L169-K173 PolarHBondContact O-N 3.37Å; L170-K173 PolarHBondContact O-N 3.03Å; K173-Q177 PolarHBondContact O-N 3.13Å
174T33.2Very low36.7Very low67 Ų6799.3 Ų99.341%0.41152%0.519SS..Hα-helixtrans-68.3-42.5174.711.10000112.4L170 N171 V176 Q177 E178L170-T174 PolarHBondContact O-N 3.16Å; L170-T174 VanDerWaalsContact O-N 3.11Å; L170-T174 PolarHBondContact O-OG1 3.32Å; N171-T174 WeakPolarHBondContact CA-OG1 3.36Å; N171-T174 PolarHBondContact O-OG1 2.85Å; T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 3.33Å; T174-Q177 PolarHBondContact O-N 3.41Å; T174-E178 PolarHBondContact O-N 3.37Å; T174-E178 VanDerWaalsContact O-N 3.09Å
175K34Very low38Very low140 Ų14098.4 Ų98.461%0.60951%0.512SS*.Hα-helixtrans-57.9-42.9174.9-97.4-176.3172.9-1780112.8N171 Q177 E178 Q179N171-K175 WeakPolarHBondContact O-CB 3.41Å; N171-K175 PolarHBondContact O-N 3.28Å; N171-K175 VanDerWaalsContact O-N 3.08Å; K175-Q177 VanDerWaalsContact C-N 3.3Å; K175-Q177 PolarHBondContact O-N 2.96Å; K175-E178 PolarHBondContact O-N 3.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.34Å; K175-Q179 PolarHBondContact O-N 3.18Å; K175-Q179 PolarHBondContact O-OE1 3.04Å
176V34.9Very low39.6Very low93 Ų9398.2 Ų98.256%0.56450%0.502SS*.Hα-helixtrans-66.5-30.5-180173.50000112.4R172 T174 T180R172-V176 VanDerWaalsContact O-CG2 3.24Å; R172-V176 WeakPolarHBondContact O-CG2 3.28Å; R172-V176 PolarHBondContact O-N 3.36Å; T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 3.33Å; V176-T180 WeakPolarHBondContact O-CG2 3.42Å; V176-T180 PolarHBondContact O-OG1 2.95Å
177Q34.4Very low41.4Very low150 Ų150103.6 Ų103.670%0.70151%0.511SS*.Hα-helixtrans-78.5-29.9175-88.4-180-32.700113.5K173 T174 K175 T180K173-Q177 PolarHBondContact O-N 3.13Å; T174-Q177 PolarHBondContact O-N 3.41Å; K175-Q177 VanDerWaalsContact C-N 3.3Å; K175-Q177 PolarHBondContact O-N 2.96Å; Q177-T180 PolarHBondContact O-OG1 3.35Å; Q177-T180 VanDerWaalsContact O-OG1 3.08Å
178E37.5Very low43.4Very low87 Ų87105.4 Ų105.441%0.40752%0.518SS..Hα-helixtrans-79.9-37.7175.7-75-177.1159.900112.4T174 K175 T180 S181 V182 N253T174-E178 PolarHBondContact O-N 3.37Å; T174-E178 VanDerWaalsContact O-N 3.09Å; K175-E178 PolarHBondContact O-N 3.45Å; E178-T180 VanDerWaalsContact C-N 3.29Å; E178-T180 PolarHBondContact O-N 3.11Å; E178-S181 PolarHBondContact O-N 3.38Å; E178-V182 WeakPolarHBondContact O-CG2 3.25Å; E178-V182 PolarHBondContact O-N 3.3Å; E178-N253 PolarHBondContact OE1-ND2 3.42Å; E178-N253 PolarHBondContact OE2-ND2 2.78Å
179Q39.1Very low45.5Very low94 Ų9499.7 Ų99.744%0.43949%0.492SS..Hα-helixtrans-60.9-36.6-179.6-119.9118.310.300112.7K175 S181 V182 D183K175-Q179 WeakPolarHBondContact O-CB 3.34Å; K175-Q179 PolarHBondContact O-N 3.18Å; K175-Q179 PolarHBondContact O-OE1 3.04Å; Q179-S181 VanDerWaalsContact C-N 3.31Å; Q179-S181 PolarHBondContact O-N 2.94Å; Q179-V182 PolarHBondContact O-N 3.46Å; Q179-D183 WeakPolarHBondContact O-CB 3.39Å; Q179-D183 PolarHBondContact O-N 2.95Å
180T39Very low47.8Very low96 Ų9696.3 Ų96.359%0.58948%0.475SS*.Hα-helixtrans-68.1-29.2-179.149.90000113.4V176 Q177 E178V176-T180 WeakPolarHBondContact O-CG2 3.42Å; V176-T180 PolarHBondContact O-OG1 2.95Å; Q177-T180 PolarHBondContact O-OG1 3.35Å; Q177-T180 VanDerWaalsContact O-OG1 3.08Å; E178-T180 VanDerWaalsContact C-N 3.29Å; E178-T180 PolarHBondContact O-N 3.11Å
181S47.4Very low50.1Low79 Ų7992.9 Ų92.955%0.55246%0.463SS*.Hα-helixtrans-79.4-38.4175.7179.80000112.2E178 Q179 S184 F185E178-S181 PolarHBondContact O-N 3.38Å; Q179-S181 VanDerWaalsContact C-N 3.31Å; Q179-S181 PolarHBondContact O-N 2.94Å; S181-S184 PolarHBondContact O-OG 2.82Å; S181-F185 PolarHBondContact O-N 3.12Å
182V48.2Very low52.6Low68 Ų6894.8 Ų94.841%0.41247%0.469SS..Hα-helixtrans-71.4-38.5-179.5177.60000111.4E178 Q179 F185 K186E178-V182 WeakPolarHBondContact O-CG2 3.25Å; E178-V182 PolarHBondContact O-N 3.3Å; Q179-V182 PolarHBondContact O-N 3.46Å; V182-F185 PolarHBondContact O-N 3.06Å; V182-K186 PolarHBondContact O-N 3.37Å; V182-K186 VanDerWaalsContact O-N 3.09Å
183D52.2Low54.9Low76 Ų7686 Ų8641%0.40644%0.436SS..Hα-helixtrans-69.6-31.6178.9-76.8-18.9000113.1Q179 R187Q179-D183 WeakPolarHBondContact O-CB 3.39Å; Q179-D183 PolarHBondContact O-N 2.95Å; D183-R187 VanDerWaalsContact O-CG 3.32Å; D183-R187 WeakPolarHBondContact O-CG 3.23Å; D183-R187 PolarHBondContact O-N 3.09Å
184S57.5Low57.5Low55 Ų5584.3 Ų84.339%0.38543%0.43SS..Hα-helixtrans-68-44.5175.770.20000111.1S181 K186 R187 E188S181-S184 PolarHBondContact O-OG 2.82Å; S184-K186 PolarHBondContact O-N 2.89Å; S184-R187 PolarHBondContact O-N 2.93Å; S184-E188 PolarHBondContact O-N 2.94Å
185F59.2Low60Low67 Ų6789.3 Ų89.329%0.29445%0.447SS..Hα-helixtrans-66.3-39.6-179.5-161.2-95.4000112.3S181 V182 R187 E188 T189 V235S181-F185 PolarHBondContact O-N 3.12Å; V182-F185 PolarHBondContact O-N 3.06Å; F185-R187 VanDerWaalsContact C-N 3.31Å; F185-R187 PolarHBondContact O-N 3.29Å; F185-E188 PolarHBondContact O-N 3.49Å; F185-T189 WeakPolarHBondContact CD1-OG1 2.67Å; F185-T189 VanDerWaalsContact CE1-OG1 3.22Å; F185-T189 WeakPolarHBondContact CE1-OG1 3.45Å; F185-T189 WeakPolarHBondContact O-CB 3.4Å; F185-T189 PolarHBondContact O-N 2.62Å; F185-T189 PolarHBondContact O-OG1 2.62Å; F185-V235 HydrophobicContact CD1-CB 4.43Å; F185-V235 HydrophobicContact CD1-CG1 4.49Å; F185-V235 HydrophobicContact CE1-CB 3.5Å; F185-V235 VanDerWaalsContact CE1-CB 3.5Å; F185-V235 HydrophobicContact CE1-CG1 3.67Å; F185-V235 HydrophobicContact CE1-CG2 3.76Å; F185-V235 HydrophobicContact CE2-CG1 3.9Å; F185-V235 HydrophobicContact CZ-CB 3.63Å; F185-V235 HydrophobicContact CZ-CG1 3.35Å; F185-V235 HydrophobicContact CZ-CG2 3.68Å
186K64.3Low62.4Low68 Ų6884 Ų8430%0.29643%0.425SS..Hα-helixtrans-61.4-39174.8-168.8174.8179.4-179.70111.6V182 S184 L190V182-K186 PolarHBondContact O-N 3.37Å; V182-K186 VanDerWaalsContact O-N 3.09Å; S184-K186 PolarHBondContact O-N 2.89Å; K186-L190 WeakPolarHBondContact O-CB 3.41Å; K186-L190 PolarHBondContact O-N 3.39Å
187R68.3Low64.8Low183 Ų18383.4 Ų83.469%0.69142%0.418SS*.Hα-helixtrans-68.3-42177.3-74176.8-167.8166.26.3112.8D183 S184 F185 L190 A191D183-R187 VanDerWaalsContact O-CG 3.32Å; D183-R187 WeakPolarHBondContact O-CG 3.23Å; D183-R187 PolarHBondContact O-N 3.09Å; S184-R187 PolarHBondContact O-N 2.93Å; F185-R187 VanDerWaalsContact C-N 3.31Å; F185-R187 PolarHBondContact O-N 3.29Å; R187-L190 PolarHBondContact O-N 2.98Å; R187-A191 WeakPolarHBondContact O-CB 3.27Å; R187-A191 PolarHBondContact O-N 3.11Å
188E73Confident67.2Low118 Ų11877.9 Ų77.955%0.55140%0.402SS*.Hα-helixtrans-63.8-49.7177.2-72.5173.8-172.400111.1S184 F185 L190 A191 E192S184-E188 PolarHBondContact O-N 2.94Å; F185-E188 PolarHBondContact O-N 3.49Å; E188-L190 VanDerWaalsContact C-N 3.28Å; E188-L190 PolarHBondContact O-N 3.05Å; E188-A191 PolarHBondContact O-N 3.33Å; E188-A191 VanDerWaalsContact O-N 3.13Å; E188-E192 PolarHBondContact O-N 3.47Å
189T75.7Confident69.5Low8 Ų880.6 Ų80.65%0.04941%0.412CS..Hα-helixtrans-60.7-39.2178.1-47.70000111.3F185 E192 C193 A228 L231F185-T189 WeakPolarHBondContact CD1-OG1 2.67Å; F185-T189 VanDerWaalsContact CE1-OG1 3.22Å; F185-T189 WeakPolarHBondContact CE1-OG1 3.45Å; F185-T189 WeakPolarHBondContact O-CB 3.4Å; F185-T189 PolarHBondContact O-N 2.62Å; F185-T189 PolarHBondContact O-OG1 2.62Å; T189-E192 PolarHBondContact O-N 2.91Å; T189-C193 WeakPolarHBondContact O-CB 3.18Å; T189-C193 PolarHBondContact O-N 3.35Å; T189-C193 PolarHBondContact O-SG 3.15Å; T189-A228 HydrophobicContact CG2-CB 4.21Å; T189-L231 HydrophobicContact CG2-CB 3.62Å; T189-L231 HydrophobicContact CG2-CD1 4.2Å
190L80.3Confident71.8Confident35 Ų3580.2 Ų80.218%0.18341%0.41CS..Hα-helixtrans-64.3-43.9176.1-172.970.9000111.7K186 R187 E188 E192 C193 Q194 I224 H225 A228K186-L190 WeakPolarHBondContact O-CB 3.41Å; K186-L190 PolarHBondContact O-N 3.39Å; R187-L190 PolarHBondContact O-N 2.98Å; E188-L190 VanDerWaalsContact C-N 3.28Å; E188-L190 PolarHBondContact O-N 3.05Å; L190-E192 VanDerWaalsContact C-N 3.28Å; L190-E192 PolarHBondContact O-N 2.71Å; L190-C193 PolarHBondContact O-N 2.69Å; L190-Q194 VanDerWaalsContact O-CG 3.29Å; L190-Q194 WeakPolarHBondContact O-CG 3.39Å; L190-Q194 PolarHBondContact O-N 2.79Å; L190-I224 HydrophobicContact CD1-CG2 3.86Å; L190-H225 WeakPolarHBondContact CD1-ND1 3.44Å; L190-A228 HydrophobicContact CB-CB 4.21Å; L190-A228 HydrophobicContact CD1-CB 3.89Å
191A81.2Confident74.1Confident44 Ų4475.7 Ų75.736%0.36438%0.382SS..Hα-helixtrans-64.7-31.8178.100000112.7R187 E188R187-A191 WeakPolarHBondContact O-CB 3.27Å; R187-A191 PolarHBondContact O-N 3.11Å; E188-A191 PolarHBondContact O-N 3.33Å; E188-A191 VanDerWaalsContact O-N 3.13Å
192E81.5Confident75.9Confident131 Ų13176 Ų7661%0.61237%0.372SS*.Hα-helixtrans-70.7-47.1171.5-69.5-174.8169.800111.9E188 T189 L190 Q194 K195E188-E192 PolarHBondContact O-N 3.47Å; T189-E192 PolarHBondContact O-N 2.91Å; L190-E192 VanDerWaalsContact C-N 3.28Å; L190-E192 PolarHBondContact O-N 2.71Å; E192-Q194 PolarHBondContact O-N 3.48Å; E192-K195 WeakPolarHBondContact O-CB 3.4Å; E192-K195 PolarHBondContact O-N 2.93Å
193C81.6Confident77.7Confident3 Ų378.3 Ų78.32%0.0238%0.378CS..Hα-helixtrans-62-30.9179-670000112.5T189 L190 K195 L196 I224 A228T189-C193 WeakPolarHBondContact O-CB 3.18Å; T189-C193 PolarHBondContact O-N 3.35Å; T189-C193 PolarHBondContact O-SG 3.15Å; L190-C193 PolarHBondContact O-N 2.69Å; C193-K195 PolarHBondContact O-N 2.82Å; C193-L196 HydrophobicContact CB-CD1 4.37Å; C193-L196 WeakPolarHBondContact O-CB 3.49Å; C193-L196 PolarHBondContact O-N 3.48Å; C193-I224 HydrophobicContact CB-CG2 3.84Å; C193-A228 HydrophobicContact CB-CB 4.35Å
194Q85.4Confident79.3Confident108 Ų10877.6 Ų77.651%0.50537%0.373SS..THydrogen-bonded Turntrans-62.8-26.2175.6-78.3174.8-3.100113.8L190 E192 R220 I224L190-Q194 VanDerWaalsContact O-CG 3.29Å; L190-Q194 WeakPolarHBondContact O-CG 3.39Å; L190-Q194 PolarHBondContact O-N 2.79Å; E192-Q194 PolarHBondContact O-N 3.48Å; Q194-R220 PolarHBondContact O-NH2 2.92Å; Q194-R220 VanDerWaalsContact O-NH2 3.12Å; Q194-I224 HydrophobicContact CG-CG2 3.9Å
195K85.7Confident80.4Confident173 Ų17375 Ų7575%0.75236%0.355SS*.THydrogen-bonded Turntrans-80.5-16.5-179.7-63.5172.7-173.7171.60113.6E192 C193E192-K195 WeakPolarHBondContact O-CB 3.4Å; E192-K195 PolarHBondContact O-N 2.93Å; C193-K195 PolarHBondContact O-N 2.82Å
196L84.2Confident81.6Confident29 Ų2975.5 Ų75.515%0.15236%0.363CS..  trans-67.6134.3-175.8-62.7170.6000111.4C193 E200 L201 M204 R220 L227C193-L196 HydrophobicContact CB-CD1 4.37Å; C193-L196 WeakPolarHBondContact O-CB 3.49Å; C193-L196 PolarHBondContact O-N 3.48Å; L196-E200 WeakPolarHBondContact CA-OE2 3.48Å; L196-E200 HydrophobicContact CB-CB 4.19Å; L196-E200 HydrophobicContact CD2-CB 4.13Å; L196-L201 HydrophobicContact CB-CB 4.38Å; L196-L201 HydrophobicContact CD1-CD1 4.43Å; L196-M204 HydrophobicContact CD1-SD 3.49Å; L196-M204 WeakPolarHBondContact CD1-SD 3.48Å; L196-M204 HydrophobicContact CD2-SD 3.8Å; L196-M204 HydrophobicContact CG-SD 4.31Å; L196-R220 VanDerWaalsContact O-CZ 3.26Å; L196-R220 PolarHBondContact O-NH1 3.22Å; L196-R220 PolarHBondContact O-NH2 3.26Å; L196-L227 HydrophobicContact CD1-CD2 3.52Å
197D86.3Confident82.4Confident80 Ų8076.5 Ų76.543%0.42838%0.379SS..  trans-68.1169.3171.182.623.8000111.3K199 E200 L201D197-K199 PolarHBondContact O-N 2.91Å; D197-K199 VanDerWaalsContact OD1-CA 3.31Å; D197-K199 WeakPolarHBondContact OD1-CA 3.22Å; D197-K199 VanDerWaalsContact OD1-CB 3.28Å; D197-K199 WeakPolarHBondContact OD1-CB 3.28Å; D197-K199 PolarHBondContact OD1-N 3.11Å; D197-E200 PolarHBondContact N-OE2 2.9Å; D197-E200 PolarHBondContact O-N 3.27Å; D197-E200 WeakPolarHBondContact OD1-CG 3.46Å; D197-E200 PolarHBondContact OD1-N 2.87Å; D197-L201 VanDerWaalsContact O-CB 3.32Å; D197-L201 WeakPolarHBondContact O-CB 3.45Å; D197-L201 PolarHBondContact O-N 3.3Å
198G84.2Confident82.9Confident34 Ų3470.1 Ų70.135%0.35136%0.357SS..Hα-helixtrans-62.6-28-17900000113.9R202 I215G198-R202 PolarHBondContact O-N 3.27Å; G198-I215 WeakPolarHBondContact O-CD1 3.46Å
199K85.4Confident82.8Confident144 Ų14466.6 Ų66.663%0.62635%0.352SS*.Hα-helixtrans-77.8-44.5179.3-176.5-177.3175.9-173.40110.6D197 R202 Q203D197-K199 PolarHBondContact O-N 2.91Å; D197-K199 VanDerWaalsContact OD1-CA 3.31Å; D197-K199 WeakPolarHBondContact OD1-CA 3.22Å; D197-K199 VanDerWaalsContact OD1-CB 3.28Å; D197-K199 WeakPolarHBondContact OD1-CB 3.28Å; D197-K199 PolarHBondContact OD1-N 3.11Å; K199-R202 PolarHBondContact O-N 3.42Å; K199-Q203 VanDerWaalsContact O-CG 3.28Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 3.09Å
200E87.7Confident82.6Confident86 Ų8667.7 Ų67.740%0.40236%0.358SS..Hα-helixtrans-61.1-47.8175.1-68.9173.8152.800110.9L196 D197 R202 Q203 M204L196-E200 WeakPolarHBondContact CA-OE2 3.48Å; L196-E200 HydrophobicContact CB-CB 4.19Å; L196-E200 HydrophobicContact CD2-CB 4.13Å; D197-E200 PolarHBondContact N-OE2 2.9Å; D197-E200 PolarHBondContact O-N 3.27Å; D197-E200 WeakPolarHBondContact OD1-CG 3.46Å; D197-E200 PolarHBondContact OD1-N 2.87Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 2.99Å; E200-Q203 PolarHBondContact O-N 3.2Å; E200-Q203 VanDerWaalsContact O-N 3.11Å; E200-M204 WeakPolarHBondContact O-CG 3.25Å; E200-M204 PolarHBondContact O-N 3.39Å
201L87Confident82.2Confident0 Ų069.2 Ų69.20%037%0.371CS..Hα-helixtrans-57.7-44.4177.5-179.659000111.7L196 D197 L205 I215 R220 I224 L227L196-L201 HydrophobicContact CB-CB 4.38Å; L196-L201 HydrophobicContact CD1-CD1 4.43Å; D197-L201 VanDerWaalsContact O-CB 3.32Å; D197-L201 WeakPolarHBondContact O-CB 3.45Å; D197-L201 PolarHBondContact O-N 3.3Å; L201-L205 HydrophobicContact CD1-CD1 3.88Å; L201-L205 HydrophobicContact CD1-CG 4.31Å; L201-L205 HydrophobicContact CG-CD1 3.99Å; L201-L205 WeakPolarHBondContact O-CB 3.5Å; L201-L205 WeakPolarHBondContact O-CG 2.93Å; L201-L205 PolarHBondContact O-N 3.14Å; L201-I215 HydrophobicContact CB-CD1 4.17Å; L201-I215 HydrophobicContact CD2-CD1 4.26Å; L201-I215 HydrophobicContact CD2-CG2 4.3Å; L201-I215 HydrophobicContact CG-CD1 4.1Å; L201-R220 HydrophobicContact CD2-CG 4.41Å; L201-I224 HydrophobicContact CD1-CG1 4.32Å; L201-I224 HydrophobicContact CD2-CG1 3.85Å; L201-L227 HydrophobicContact CD1-CB 4.21Å; L201-L227 HydrophobicContact CD1-CD2 3.67Å
202R85.3Confident82.1Confident86 Ų8668 Ų6833%0.32536%0.359SS..Hα-helixtrans-61.9-47.4174.4-179.4-179.8-62.2-72.8-11.6111.4G198 K199 E200 M204 L205 T206 V212 G213 I215G198-R202 PolarHBondContact O-N 3.27Å; K199-R202 PolarHBondContact O-N 3.42Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 2.99Å; R202-M204 VanDerWaalsContact C-N 3.32Å; R202-M204 PolarHBondContact O-N 2.88Å; R202-L205 PolarHBondContact O-N 3.2Å; R202-T206 VanDerWaalsContact O-CB 3.25Å; R202-T206 WeakPolarHBondContact O-CB 3.46Å; R202-T206 PolarHBondContact O-N 3.31Å; R202-T206 PolarHBondContact O-OG1 3.23Å; R202-V212 HydrophobicContact CG-CB 4.47Å; R202-V212 PolarHBondContact NH1-O 2.87Å; R202-G213 VanDerWaalsContact CZ-O 3.29Å; R202-G213 PolarHBondContact NH1-O 2.94Å; R202-G213 PolarHBondContact NH2-O 3.31Å; R202-I215 HydrophobicContact CB-CD1 3.63Å
203Q86.1Confident81.9Confident116 Ų11662 Ų6254%0.54233%0.332SS..Hα-helixtrans-60-45-178.4-76.7174.9-9.500111.1K199 E200 T206 S207K199-Q203 VanDerWaalsContact O-CG 3.28Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 3.09Å; E200-Q203 PolarHBondContact O-N 3.2Å; E200-Q203 VanDerWaalsContact O-N 3.11Å; Q203-T206 PolarHBondContact O-N 2.82Å; Q203-S207 WeakPolarHBondContact O-CB 3.45Å; Q203-S207 PolarHBondContact O-N 3.38Å
204M85Confident81.8Confident62 Ų6264.1 Ų64.131%0.30535%0.346SS..Hα-helixtrans-64.4-51.4178.4-69.4-172.272.400111.6L196 E200 R202 T206 S207 E208 L227 L231L196-M204 HydrophobicContact CD1-SD 3.49Å; L196-M204 WeakPolarHBondContact CD1-SD 3.48Å; L196-M204 HydrophobicContact CD2-SD 3.8Å; L196-M204 HydrophobicContact CG-SD 4.31Å; E200-M204 WeakPolarHBondContact O-CG 3.25Å; E200-M204 PolarHBondContact O-N 3.39Å; R202-M204 VanDerWaalsContact C-N 3.32Å; R202-M204 PolarHBondContact O-N 2.88Å; M204-T206 VanDerWaalsContact C-N 3.31Å; M204-T206 PolarHBondContact O-N 3.49Å; M204-S207 WeakPolarHBondContact O-CB 3.34Å; M204-S207 PolarHBondContact O-N 3.36Å; M204-S207 VanDerWaalsContact O-N 3.1Å; M204-S207 PolarHBondContact O-OG 2.63Å; M204-E208 WeakPolarHBondContact O-CG 3.27Å; M204-E208 PolarHBondContact O-N 3.26Å; M204-E208 VanDerWaalsContact O-N 3.17Å; M204-L227 HydrophobicContact CB-CD1 3.97Å; M204-L227 HydrophobicContact CB-CD2 3.74Å; M204-L227 HydrophobicContact CE-CD1 4.47Å; M204-L227 HydrophobicContact CE-CD2 4.11Å; M204-L227 HydrophobicContact CG-CD2 4.47Å; M204-L227 HydrophobicContact SD-CD2 3.98Å; M204-L231 HydrophobicContact CE-CD1 3.85Å; M204-L231 HydrophobicContact CE-CD2 4.44Å
205L81.9Confident81.6Confident1 Ų160.7 Ų60.71%0.00533%0.33CS..Hα-helixtrans-60.3-39177.5-74.6165.7000112.9L201 R202 S207 E208 G209 L210 V212 Y223 L227L201-L205 HydrophobicContact CD1-CD1 3.88Å; L201-L205 HydrophobicContact CD1-CG 4.31Å; L201-L205 HydrophobicContact CG-CD1 3.99Å; L201-L205 WeakPolarHBondContact O-CB 3.5Å; L201-L205 WeakPolarHBondContact O-CG 2.93Å; L201-L205 PolarHBondContact O-N 3.14Å; R202-L205 PolarHBondContact O-N 3.2Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-E208 WeakPolarHBondContact O-CB 3.28Å; L205-E208 PolarHBondContact O-N 3.3Å; L205-G209 PolarHBondContact O-N 2.97Å; L205-L210 HydrophobicContact CD2-CD1 3.65Å; L205-L210 WeakPolarHBondContact O-CB 3.5Å; L205-L210 PolarHBondContact O-N 2.9Å; L205-V212 HydrophobicContact CB-CG2 3.4Å; L205-V212 VanDerWaalsContact CB-CG2 3.4Å; L205-V212 HydrophobicContact CD1-CG1 4.12Å; L205-V212 HydrophobicContact CD1-CG2 4.19Å; L205-V212 HydrophobicContact CG-CG2 4.43Å; L205-Y223 HydrophobicContact CD1-CD1 3.64Å; L205-Y223 HydrophobicContact CD1-CG 3.89Å; L205-L227 HydrophobicContact CD2-CB 3.85Å; L205-L227 HydrophobicContact CD2-CD1 4.26Å; L205-L227 HydrophobicContact CG-CB 4.26Å; L205-L227 HydrophobicContact CG-CD1 4.44Å
206T83.7Confident81.5Confident76 Ų7655.4 Ų55.447%0.46631%0.313SS..Hα-helixtrans-67.7-35.9176.8-51.50000111.1R202 Q203 M204 E208 G209R202-T206 VanDerWaalsContact O-CB 3.25Å; R202-T206 WeakPolarHBondContact O-CB 3.46Å; R202-T206 PolarHBondContact O-N 3.31Å; R202-T206 PolarHBondContact O-OG1 3.23Å; Q203-T206 PolarHBondContact O-N 2.82Å; M204-T206 VanDerWaalsContact C-N 3.31Å; M204-T206 PolarHBondContact O-N 3.49Å; T206-E208 PolarHBondContact O-N 3Å; T206-G209 WeakPolarHBondContact O-CA 3.38Å; T206-G209 PolarHBondContact O-N 2.97Å
207S81Confident81.4Confident89 Ų8963 Ų6362%0.62235%0.348SS*.Hα-helixtrans-66.2-23175.176.50000113.2Q203 M204 L205 G209Q203-S207 WeakPolarHBondContact O-CB 3.45Å; Q203-S207 PolarHBondContact O-N 3.38Å; M204-S207 WeakPolarHBondContact O-CB 3.34Å; M204-S207 PolarHBondContact O-N 3.36Å; M204-S207 VanDerWaalsContact O-N 3.1Å; M204-S207 PolarHBondContact O-OG 2.63Å; L205-S207 VanDerWaalsContact C-N 3.34Å; S207-G209 VanDerWaalsContact C-N 3.26Å
208E78.6Confident80.9Confident50 Ų5061.4 Ų61.423%0.23435%0.345CS..THydrogen-bonded Turntrans-82.30.1170.4-61.5-56.1142.900113.4M204 L205 T206 L230 K234M204-E208 WeakPolarHBondContact O-CG 3.27Å; M204-E208 PolarHBondContact O-N 3.26Å; M204-E208 VanDerWaalsContact O-N 3.17Å; L205-E208 WeakPolarHBondContact O-CB 3.28Å; L205-E208 PolarHBondContact O-N 3.3Å; T206-E208 PolarHBondContact O-N 3Å; E208-L230 HydrophobicContact CB-CD1 4.03Å; E208-L230 HydrophobicContact CG-CD1 4.21Å; E208-K234 IonicContact OE1-NZ 2.59Å; E208-K234 PolarHBondContact OE1-NZ 2.94Å; E208-K234 WeakPolarHBondContact OE2-CE 3.29Å; E208-K234 IonicContact OE2-NZ 3.39Å; E208-K234 PolarHBondContact OE2-NZ 3.44Å
209G71.3Confident80.8Confident44 Ų4459.9 Ų59.945%0.45433%0.329SS..THydrogen-bonded Turntrans89.90.2177.700000115L133 L205 T206 S207L133-G209 WeakPolarHBondContact CD1-O 3.32Å; L205-G209 PolarHBondContact O-N 2.97Å; T206-G209 WeakPolarHBondContact O-CA 3.38Å; T206-G209 PolarHBondContact O-N 2.97Å; S207-G209 VanDerWaalsContact C-N 3.26Å
210L70.9Confident80.7Confident31 Ų3156.4 Ų56.416%0.16231%0.312CS..  trans-76.3140.3-177-68.3162.3000111.9L133 L205 V212 H226 L230L133-L210 HydrophobicContact CD1-CD2 3.95Å; L133-L210 HydrophobicContact CD1-CG 4.23Å; L205-L210 HydrophobicContact CD2-CD1 3.65Å; L205-L210 WeakPolarHBondContact O-CB 3.5Å; L205-L210 PolarHBondContact O-N 2.9Å; L210-V212 HydrophobicContact CB-CG2 4.46Å; L210-V212 PolarHBondContact O-N 2.77Å; L210-H226 WeakPolarHBondContact CD1-CD2 3.46Å; L210-H226 WeakPolarHBondContact CD1-NE2 3.29Å; L210-L230 HydrophobicContact CD1-CD1 3.57Å
211S72.8Confident80.4Confident67 Ų6755 Ų5547%0.46931%0.312SS..  trans-8299169.861.50000109.6
212V78.8Confident80Confident19 Ų1955.7 Ų55.712%0.11532%0.316CS..  trans-88.5121.1-175.3-165.70000109.9R202 L205 L210 I215 Y223R202-V212 HydrophobicContact CG-CB 4.47Å; R202-V212 PolarHBondContact NH1-O 2.87Å; L205-V212 HydrophobicContact CB-CG2 3.4Å; L205-V212 VanDerWaalsContact CB-CG2 3.4Å; L205-V212 HydrophobicContact CD1-CG1 4.12Å; L205-V212 HydrophobicContact CD1-CG2 4.19Å; L205-V212 HydrophobicContact CG-CG2 4.43Å; L210-V212 HydrophobicContact CB-CG2 4.46Å; L210-V212 PolarHBondContact O-N 2.77Å; V212-I215 HydrophobicContact CG1-CD1 4.11Å; V212-I215 HydrophobicContact CG1-CG1 4.02Å; V212-Y223 HydrophobicContact CG1-CD1 3.98Å; V212-Y223 HydrophobicContact CG1-CD2 4.48Å; V212-Y223 HydrophobicContact CG1-CE1 3.57Å; V212-Y223 HydrophobicContact CG1-CE2 4.11Å; V212-Y223 HydrophobicContact CG1-CG 4.43Å
213G76.4Confident79.9Confident4 Ų452 Ų524%0.04130%0.302CS..  trans-64-176.2168.500000113.1F55 R202 I215 Y223F55-G213 VanDerWaalsContact CD1-CA 3.45Å; R202-G213 VanDerWaalsContact CZ-O 3.29Å; R202-G213 PolarHBondContact NH1-O 2.94Å; R202-G213 PolarHBondContact NH2-O 3.31Å; G213-I215 PolarHBondContact O-N 2.96Å; G213-Y223 VanDerWaalsContact CA-OH 3.31Å; G213-Y223 WeakPolarHBondContact CA-OH 3.2Å; G213-Y223 PolarHBondContact N-OH 3.03Å
214P79.4Confident79.8Confident47 Ų4747 Ų4731%0.30528%0.279SS..  trans-59.3131.5172.70.26.3000110.3G23 T216 T219G23-P214 VanDerWaalsContact CA-CG 3.4Å; P214-T216 HydrophobicContact CB-CG2 4.33Å; P214-T216 PolarHBondContact O-N 2.99Å; P214-T219 PolarHBondContact O-OG1 3.21Å
215I82.5Confident79.6Confident36 Ų3648.8 Ų48.819%0.18529%0.286CS..  trans-87.596.6176.6-64.4170.1000106.4G198 L201 R202 V212 G213 R220 Y223G198-I215 WeakPolarHBondContact O-CD1 3.46Å; L201-I215 HydrophobicContact CB-CD1 4.17Å; L201-I215 HydrophobicContact CD2-CD1 4.26Å; L201-I215 HydrophobicContact CD2-CG2 4.3Å; L201-I215 HydrophobicContact CG-CD1 4.1Å; R202-I215 HydrophobicContact CB-CD1 3.63Å; V212-I215 HydrophobicContact CG1-CD1 4.11Å; V212-I215 HydrophobicContact CG1-CG1 4.02Å; G213-I215 PolarHBondContact O-N 2.96Å; I215-R220 HydrophobicContact CG2-CB 4.38Å; I215-Y223 HydrophobicContact CG1-CD2 3.77Å; I215-Y223 HydrophobicContact CG1-CE2 3.88Å
216T83Confident79.4Confident62 Ų6250 Ų5038%0.3829%0.292SS..  trans-99.3167.9173.267.70000110.1P214 A218 T219 R220P214-T216 HydrophobicContact CB-CG2 4.33Å; P214-T216 PolarHBondContact O-N 2.99Å; T216-A218 PolarHBondContact O-N 2.99Å; T216-T219 PolarHBondContact N-OG1 3.38Å; T216-T219 PolarHBondContact O-N 3.41Å; T216-T219 VanDerWaalsContact O-N 3.14Å; T216-T219 PolarHBondContact O-OG1 2.96Å; T216-T219 VanDerWaalsContact O-OG1 3.07Å; T216-T219 PolarHBondContact OG1-N 3.05Å; T216-T219 PolarHBondContact OG1-OG1 3.11Å; T216-T219 VanDerWaalsContact OG1-OG1 3.14Å; T216-R220 WeakPolarHBondContact O-CB 3.42Å; T216-R220 PolarHBondContact O-N 3.47Å
217E81.9Confident79.3Confident189 Ų18946.3 Ų46.388%0.88327%0.27SS*.Hα-helixtrans-53.3-39.5174.4-170.5174.2-172.500112T219E217-T219 PolarHBondContact O-N 3.07Å
218A75.8Confident79.2Confident46 Ų4642.2 Ų42.238%0.3824%0.241SC..Hα-helixtrans-70.9-29.218000000114.3T216T216-A218 PolarHBondContact O-N 2.99Å
219T81.6Confident79Confident2 Ų242.9 Ų42.91%0.01224%0.244CC..Hα-helixtrans-97.5-13.2-176560000112.9P26 G56 P214 T216 E217 S221 T222 Y223P26-T219 HydrophobicContact CG-CG2 4.18Å; G56-T219 WeakPolarHBondContact O-CG2 3.45Å; P214-T219 PolarHBondContact O-OG1 3.21Å; T216-T219 PolarHBondContact N-OG1 3.38Å; T216-T219 PolarHBondContact O-N 3.41Å; T216-T219 VanDerWaalsContact O-N 3.14Å; T216-T219 PolarHBondContact O-OG1 2.96Å; T216-T219 VanDerWaalsContact O-OG1 3.07Å; T216-T219 PolarHBondContact OG1-N 3.05Å; T216-T219 PolarHBondContact OG1-OG1 3.11Å; T216-T219 VanDerWaalsContact OG1-OG1 3.14Å; E217-T219 PolarHBondContact O-N 3.07Å; T219-S221 PolarHBondContact O-N 3.46Å; T219-T222 PolarHBondContact O-N 3.33Å; T219-Y223 WeakPolarHBondContact O-CD2 3.41Å; T219-Y223 PolarHBondContact O-N 2.78Å
220R83.8Confident79.1Confident72 Ų7243.2 Ų43.227%0.27224%0.235SC..Hα-helixtrans-63.8-42.1-168.6175.9174.4169.881.52.2112.5Q194 L196 L201 I215 T216 Y223 I224Q194-R220 PolarHBondContact O-NH2 2.92Å; Q194-R220 VanDerWaalsContact O-NH2 3.12Å; L196-R220 VanDerWaalsContact O-CZ 3.26Å; L196-R220 PolarHBondContact O-NH1 3.22Å; L196-R220 PolarHBondContact O-NH2 3.26Å; L201-R220 HydrophobicContact CD2-CG 4.41Å; I215-R220 HydrophobicContact CG2-CB 4.38Å; T216-R220 WeakPolarHBondContact O-CB 3.42Å; T216-R220 PolarHBondContact O-N 3.47Å; R220-Y223 PolarHBondContact O-N 2.88Å; R220-I224 HydrophobicContact CG-CD1 3.67Å; R220-I224 HydrophobicContact CG-CG1 4.37Å; R220-I224 VanDerWaalsContact O-CG1 3.31Å; R220-I224 WeakPolarHBondContact O-CG1 3.4Å; R220-I224 PolarHBondContact O-N 3.1Å
221S80.8Confident79.4Confident57 Ų5743.6 Ų43.640%0.39924%0.237SC..Hα-helixtrans-58.5-48.5178.250.70000111.3T219 Y223 I224 H225T219-S221 PolarHBondContact O-N 3.46Å; S221-Y223 PolarHBondContact O-N 2.86Å; S221-I224 PolarHBondContact O-N 3.33Å; S221-H225 PolarHBondContact O-CD2 3.48Å; S221-H225 PolarHBondContact O-N 3.17Å
222T78.5Confident79.3Confident13 Ų1341 Ų418%0.0822%0.219CC..Hα-helixtrans-57.3-47.7178.7-47.60000111.5T219 I224 H225 H226T219-T222 PolarHBondContact O-N 3.33Å; T222-I224 PolarHBondContact O-N 3.2Å; T222-H225 PolarHBondContact O-N 3.33Å; T222-H226 WeakPolarHBondContact O-CB 3.07Å; T222-H226 PolarHBondContact O-N 2.65Å
223Y83.5Confident78.7Confident9 Ų943.2 Ų43.24%0.03523%0.228CC..Hα-helixtrans-64-39.2177.9-75.1-48.1000113.3F55 G56 L205 V212 G213 I215 T219 R220 S221 L227F55-Y223 WeakPolarHBondContact CA-OH 3.24Å; F55-Y223 PolarHBondContact O-OH 2.65Å; G56-Y223 PolarHBondContact N-OH 2.8Å; L205-Y223 HydrophobicContact CD1-CD1 3.64Å; L205-Y223 HydrophobicContact CD1-CG 3.89Å; V212-Y223 HydrophobicContact CG1-CD1 3.98Å; V212-Y223 HydrophobicContact CG1-CD2 4.48Å; V212-Y223 HydrophobicContact CG1-CE1 3.57Å; V212-Y223 HydrophobicContact CG1-CE2 4.11Å; V212-Y223 HydrophobicContact CG1-CG 4.43Å; G213-Y223 VanDerWaalsContact CA-OH 3.31Å; G213-Y223 WeakPolarHBondContact CA-OH 3.2Å; G213-Y223 PolarHBondContact N-OH 3.03Å; I215-Y223 HydrophobicContact CG1-CD2 3.77Å; I215-Y223 HydrophobicContact CG1-CE2 3.88Å; T219-Y223 WeakPolarHBondContact O-CD2 3.41Å; T219-Y223 PolarHBondContact O-N 2.78Å; R220-Y223 PolarHBondContact O-N 2.88Å; S221-Y223 PolarHBondContact O-N 2.86Å; Y223-L227 WeakPolarHBondContact O-CB 3.41Å; Y223-L227 PolarHBondContact O-N 3.48Å
224I85.6Confident78.5Confident12 Ų1248 Ų486%0.06225%0.248CC..Hα-helixtrans-63.3-48.1176-74.3166.2000110.8L190 C193 Q194 L201 R220 S221 T222 H226 L227 A228L190-I224 HydrophobicContact CD1-CG2 3.86Å; C193-I224 HydrophobicContact CB-CG2 3.84Å; Q194-I224 HydrophobicContact CG-CG2 3.9Å; L201-I224 HydrophobicContact CD1-CG1 4.32Å; L201-I224 HydrophobicContact CD2-CG1 3.85Å; R220-I224 HydrophobicContact CG-CD1 3.67Å; R220-I224 HydrophobicContact CG-CG1 4.37Å; R220-I224 VanDerWaalsContact O-CG1 3.31Å; R220-I224 WeakPolarHBondContact O-CG1 3.4Å; R220-I224 PolarHBondContact O-N 3.1Å; S221-I224 PolarHBondContact O-N 3.33Å; T222-I224 PolarHBondContact O-N 3.2Å; I224-H226 VanDerWaalsContact C-N 3.32Å; I224-H226 PolarHBondContact O-N 3.21Å; I224-L227 PolarHBondContact O-N 2.8Å; I224-A228 WeakPolarHBondContact O-CB 3.45Å; I224-A228 PolarHBondContact O-N 2.88Å
225H79.3Confident78Confident98 Ų9849 Ų4945%0.45425%0.253SS..Hα-helixtrans-61.1-43.8179-83.8-74.5000111.6L190 S221 T222 A228 E229L190-H225 WeakPolarHBondContact CD1-ND1 3.44Å; S221-H225 PolarHBondContact O-CD2 3.48Å; S221-H225 PolarHBondContact O-N 3.17Å; T222-H225 PolarHBondContact O-N 3.33Å; H225-A228 PolarHBondContact O-N 3.12Å; H225-E229 PolarHBondContact O-N 3.27Å
226H77.3Confident77.4Confident26 Ų2653.1 Ų53.112%0.1227%0.266CS..Hα-helixtrans-65.2-42.6179.9-162.673.3000112.3W88 L210 T222 I224 E229 L230W88-H226 AromaticContact CH2-CE1 3.71Å; W88-H226 AromaticContact CZ2-ND1 3.88Å; W88-H226 AromaticContact CZ3-CE1 3.8Å; L210-H226 WeakPolarHBondContact CD1-CD2 3.46Å; L210-H226 WeakPolarHBondContact CD1-NE2 3.29Å; T222-H226 WeakPolarHBondContact O-CB 3.07Å; T222-H226 PolarHBondContact O-N 2.65Å; I224-H226 VanDerWaalsContact C-N 3.32Å; I224-H226 PolarHBondContact O-N 3.21Å; H226-E229 PolarHBondContact O-N 3.34Å; H226-L230 WeakPolarHBondContact O-CG 3.48Å; H226-L230 PolarHBondContact O-N 2.94Å; H226-L230 VanDerWaalsContact O-N 3.09Å
227L81.6Confident76.8Confident0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-62.3-45.1174.2-178.161000111.4L196 L201 M204 L205 Y223 I224 E229 L230 L231L196-L227 HydrophobicContact CD1-CD2 3.52Å; L201-L227 HydrophobicContact CD1-CB 4.21Å; L201-L227 HydrophobicContact CD1-CD2 3.67Å; M204-L227 HydrophobicContact CB-CD1 3.97Å; M204-L227 HydrophobicContact CB-CD2 3.74Å; M204-L227 HydrophobicContact CE-CD1 4.47Å; M204-L227 HydrophobicContact CE-CD2 4.11Å; M204-L227 HydrophobicContact CG-CD2 4.47Å; M204-L227 HydrophobicContact SD-CD2 3.98Å; L205-L227 HydrophobicContact CD2-CB 3.85Å; L205-L227 HydrophobicContact CD2-CD1 4.26Å; L205-L227 HydrophobicContact CG-CB 4.26Å; L205-L227 HydrophobicContact CG-CD1 4.44Å; Y223-L227 WeakPolarHBondContact O-CB 3.41Å; Y223-L227 PolarHBondContact O-N 3.48Å; I224-L227 PolarHBondContact O-N 2.8Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 3.33Å; L227-L230 PolarHBondContact O-N 3.23Å; L227-L231 HydrophobicContact CD1-CD1 4.11Å; L227-L231 HydrophobicContact CD1-CG 4.05Å; L227-L231 HydrophobicContact CD2-CD1 4.48Å; L227-L231 HydrophobicContact CG-CD1 3.91Å; L227-L231 HydrophobicContact CG-CG 4.26Å; L227-L231 WeakPolarHBondContact O-CB 3.43Å; L227-L231 WeakPolarHBondContact O-CG 3.05Å; L227-L231 PolarHBondContact O-N 2.98Å
228A80Confident76.3Confident2 Ų247.3 Ų47.32%0.01725%0.248CC..Hα-helixtrans-61.4-37.2179.900000112.1T189 L190 C193 I224 H225 S232T189-A228 HydrophobicContact CG2-CB 4.21Å; L190-A228 HydrophobicContact CB-CB 4.21Å; L190-A228 HydrophobicContact CD1-CB 3.89Å; C193-A228 HydrophobicContact CB-CB 4.35Å; I224-A228 WeakPolarHBondContact O-CB 3.45Å; I224-A228 PolarHBondContact O-N 2.88Å; H225-A228 PolarHBondContact O-N 3.12Å; A228-S232 WeakPolarHBondContact O-CB 3.29Å; A228-S232 PolarHBondContact O-N 3.26Å
229E73.3Confident76.3Confident64 Ų6452.2 Ų52.230%0.29927%0.268SS..Hα-helixtrans-66-46.9175-173.9173.2-171.200112.1H225 H226 L227 L231 S232 E233H225-E229 PolarHBondContact O-N 3.27Å; H226-E229 PolarHBondContact O-N 3.34Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 3.33Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.26Å; E229-S232 PolarHBondContact O-N 2.68Å; E229-E233 WeakPolarHBondContact O-CB 3.47Å; E229-E233 PolarHBondContact O-N 2.99Å
230L74.4Confident76.5Confident52 Ų5254.2 Ų54.227%0.27228%0.277SS..Hα-helixtrans-60.5-43.7177.4-72.8174.9000112.4E208 L210 H226 L227 E233 K234E208-L230 HydrophobicContact CB-CD1 4.03Å; E208-L230 HydrophobicContact CG-CD1 4.21Å; L210-L230 HydrophobicContact CD1-CD1 3.57Å; H226-L230 WeakPolarHBondContact O-CG 3.48Å; H226-L230 PolarHBondContact O-N 2.94Å; H226-L230 VanDerWaalsContact O-N 3.09Å; L227-L230 PolarHBondContact O-N 3.23Å; L230-E233 PolarHBondContact O-N 2.88Å; L230-K234 WeakPolarHBondContact O-CG 3.24Å; L230-K234 PolarHBondContact O-N 2.83Å
231L77.5Confident76.8Confident38 Ų3854.6 Ų54.620%0.19928%0.28CS..Hα-helixtrans-67.6-43177.9-68.3178.8000111.5T189 M204 L227 E229 E233 K234 V235T189-L231 HydrophobicContact CG2-CB 3.62Å; T189-L231 HydrophobicContact CG2-CD1 4.2Å; M204-L231 HydrophobicContact CE-CD1 3.85Å; M204-L231 HydrophobicContact CE-CD2 4.44Å; L227-L231 HydrophobicContact CD1-CD1 4.11Å; L227-L231 HydrophobicContact CD1-CG 4.05Å; L227-L231 HydrophobicContact CD2-CD1 4.48Å; L227-L231 HydrophobicContact CG-CD1 3.91Å; L227-L231 HydrophobicContact CG-CG 4.26Å; L227-L231 WeakPolarHBondContact O-CB 3.43Å; L227-L231 WeakPolarHBondContact O-CG 3.05Å; L227-L231 PolarHBondContact O-N 2.98Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.26Å; L231-E233 VanDerWaalsContact C-N 3.31Å; L231-E233 PolarHBondContact O-N 3.37Å; L231-K234 PolarHBondContact O-N 2.63Å; L231-V235 WeakPolarHBondContact O-CG2 3.21Å; L231-V235 PolarHBondContact O-N 2.88Å
232S69.4Low77.4Confident14 Ų1452.3 Ų52.310%0.09826%0.263CS..Hα-helixtrans-57.6-45175.4-177.90000111.4A228 E229 V235 R236A228-S232 WeakPolarHBondContact O-CB 3.29Å; A228-S232 PolarHBondContact O-N 3.26Å; E229-S232 PolarHBondContact O-N 2.68Å; S232-V235 PolarHBondContact O-N 3.45Å; S232-R236 WeakPolarHBondContact O-CB 3.47Å; S232-R236 PolarHBondContact O-N 2.94Å
233E67.8Low78Confident64 Ų6452.4 Ų52.430%0.29926%0.264SS..Hα-helixtrans-66.6-39.8178-173.359.7-165.900112.2E229 L230 L231 V235 R236 I237E229-E233 WeakPolarHBondContact O-CB 3.47Å; E229-E233 PolarHBondContact O-N 2.99Å; L230-E233 PolarHBondContact O-N 2.88Å; L231-E233 VanDerWaalsContact C-N 3.31Å; L231-E233 PolarHBondContact O-N 3.37Å; E233-V235 PolarHBondContact O-N 3.44Å; E233-R236 VanDerWaalsContact CD-NH2 3.3Å; E233-R236 WeakPolarHBondContact O-CB 3.33Å; E233-R236 PolarHBondContact O-N 3.29Å; E233-R236 IonicContact OE1-CZ 2.63Å; E233-R236 IonicContact OE1-NE 3.32Å; E233-R236 PolarHBondContact OE1-NE 3.47Å; E233-R236 IonicContact OE1-NH2 3.26Å; E233-R236 PolarHBondContact OE1-NH2 3.34Å; E233-R236 IonicContact OE2-CZ 3.54Å; E233-R236 VanDerWaalsContact OE2-CZ 3.26Å; E233-R236 IonicContact OE2-NE 3.83Å; E233-R236 PolarHBondContact OE2-NE 2.73Å; E233-R236 IonicContact OE2-NH2 2.78Å; E233-R236 PolarHBondContact OE2-NH2 2.7Å; E233-R236 VanDerWaalsContact OE2-NH2 3.1Å; E233-I237 HydrophobicContact CG-CD1 3.92Å; E233-I237 VanDerWaalsContact O-CG1 3.32Å; E233-I237 WeakPolarHBondContact O-CG1 3.39Å; E233-I237 PolarHBondContact O-N 3.4Å; E233-I237 VanDerWaalsContact OE1-CD1 3.29Å; E233-I237 WeakPolarHBondContact OE1-CD1 3.44Å
234K70.5Confident78.2Confident106 Ų10654 Ų5446%0.46128%0.275SS..Hα-helixtrans-60.7-44174-83.2-171.6173.8-174.60112.4E208 L230 L231 R236 I237 A238E208-K234 IonicContact OE1-NZ 2.59Å; E208-K234 PolarHBondContact OE1-NZ 2.94Å; E208-K234 WeakPolarHBondContact OE2-CE 3.29Å; E208-K234 IonicContact OE2-NZ 3.39Å; E208-K234 PolarHBondContact OE2-NZ 3.44Å; L230-K234 WeakPolarHBondContact O-CG 3.24Å; L230-K234 PolarHBondContact O-N 2.83Å; L231-K234 PolarHBondContact O-N 2.63Å; K234-R236 VanDerWaalsContact C-N 3.34Å; K234-I237 PolarHBondContact O-N 3.32Å; K234-A238 VanDerWaalsContact O-CB 3.29Å; K234-A238 WeakPolarHBondContact O-CB 3.46Å; K234-A238 PolarHBondContact O-N 3.44Å
235V70.7Confident78.5Confident66 Ų6654 Ų5440%0.428%0.275SS..Hα-helixtrans-67.3-39.7178.7175.70000110.6F185 L231 S232 E233 I237 A238F185-V235 HydrophobicContact CD1-CB 4.43Å; F185-V235 HydrophobicContact CD1-CG1 4.49Å; F185-V235 HydrophobicContact CE1-CB 3.5Å; F185-V235 VanDerWaalsContact CE1-CB 3.5Å; F185-V235 HydrophobicContact CE1-CG1 3.67Å; F185-V235 HydrophobicContact CE1-CG2 3.76Å; F185-V235 HydrophobicContact CE2-CG1 3.9Å; F185-V235 HydrophobicContact CZ-CB 3.63Å; F185-V235 HydrophobicContact CZ-CG1 3.35Å; F185-V235 HydrophobicContact CZ-CG2 3.68Å; L231-V235 WeakPolarHBondContact O-CG2 3.21Å; L231-V235 PolarHBondContact O-N 2.88Å; S232-V235 PolarHBondContact O-N 3.45Å; E233-V235 PolarHBondContact O-N 3.44Å; V235-I237 VanDerWaalsContact C-N 3.27Å; V235-I237 PolarHBondContact O-N 3.35Å; V235-A238 PolarHBondContact O-N 3.37Å
236R68.4Low79.2Confident123 Ų12349.3 Ų49.346%0.46425%0.253SS..Hα-helixtrans-56.9-41.7174.4-167.2175.776.2122.62.4112S232 E233 K234 F240S232-R236 WeakPolarHBondContact O-CB 3.47Å; S232-R236 PolarHBondContact O-N 2.94Å; E233-R236 VanDerWaalsContact CD-NH2 3.3Å; E233-R236 WeakPolarHBondContact O-CB 3.33Å; E233-R236 PolarHBondContact O-N 3.29Å; E233-R236 IonicContact OE1-CZ 2.63Å; E233-R236 IonicContact OE1-NE 3.32Å; E233-R236 PolarHBondContact OE1-NE 3.47Å; E233-R236 IonicContact OE1-NH2 3.26Å; E233-R236 PolarHBondContact OE1-NH2 3.34Å; E233-R236 IonicContact OE2-CZ 3.54Å; E233-R236 VanDerWaalsContact OE2-CZ 3.26Å; E233-R236 IonicContact OE2-NE 3.83Å; E233-R236 PolarHBondContact OE2-NE 2.73Å; E233-R236 IonicContact OE2-NH2 2.78Å; E233-R236 PolarHBondContact OE2-NH2 2.7Å; E233-R236 VanDerWaalsContact OE2-NH2 3.1Å; K234-R236 VanDerWaalsContact C-N 3.34Å; R236-F240 WeakPolarHBondContact O-CE1 3.28Å
237I70.6Confident79.9Confident58 Ų5848.4 Ų48.430%0.29725%0.249SC..Hα-helixtrans-86.4-21.1-178.7-59.9169000112.6E233 K234 V235 N239 F240 V244E233-I237 HydrophobicContact CG-CD1 3.92Å; E233-I237 VanDerWaalsContact O-CG1 3.32Å; E233-I237 WeakPolarHBondContact O-CG1 3.39Å; E233-I237 PolarHBondContact O-N 3.4Å; E233-I237 VanDerWaalsContact OE1-CD1 3.29Å; E233-I237 WeakPolarHBondContact OE1-CD1 3.44Å; K234-I237 PolarHBondContact O-N 3.32Å; V235-I237 VanDerWaalsContact C-N 3.27Å; V235-I237 PolarHBondContact O-N 3.35Å; I237-N239 PolarHBondContact O-N 2.65Å; I237-N239 VanDerWaalsContact O-N 3.12Å; I237-F240 HydrophobicContact CG1-CD2 4.48Å; I237-F240 HydrophobicContact CG2-CB 4.44Å; I237-F240 HydrophobicContact CG2-CD2 4.33Å; I237-F240 VanDerWaalsContact O-CB 3.27Å; I237-F240 WeakPolarHBondContact O-CB 3.31Å; I237-F240 PolarHBondContact O-N 3.21Å; I237-V244 HydrophobicContact CD1-CG2 3.61Å; I237-V244 HydrophobicContact CG1-CG2 3.79Å; I237-V244 HydrophobicContact CG2-CG2 4.06Å
238A71.4Confident80.2Confident72 Ų7249.5 Ų49.560%0.59526%0.258SS*.Hα-helixtrans-57.2-35.1-172.800000113.3K234 V235 F240K234-A238 VanDerWaalsContact O-CB 3.29Å; K234-A238 WeakPolarHBondContact O-CB 3.46Å; K234-A238 PolarHBondContact O-N 3.44Å; V235-A238 PolarHBondContact O-N 3.37Å; A238-F240 VanDerWaalsContact C-N 3.32Å
239N75.9Confident80.8Confident148 Ų14850 Ų5079%0.79126%0.261SS*.THydrogen-bonded Turntrans-85-4.9179.2-67.3-28.5000113.6I237 K241I237-N239 PolarHBondContact O-N 2.65Å; I237-N239 VanDerWaalsContact O-N 3.12Å; N239-K241 PolarHBondContact O-N 3.29Å
240F85.3Confident81.7Confident44 Ų4447.1 Ų47.119%0.19325%0.247CC..  trans-74.4125.1-179.7-720.7000110.5R236 I237 A238 V244 E247 K395R236-F240 WeakPolarHBondContact O-CE1 3.28Å; I237-F240 HydrophobicContact CG1-CD2 4.48Å; I237-F240 HydrophobicContact CG2-CB 4.44Å; I237-F240 HydrophobicContact CG2-CD2 4.33Å; I237-F240 VanDerWaalsContact O-CB 3.27Å; I237-F240 WeakPolarHBondContact O-CB 3.31Å; I237-F240 PolarHBondContact O-N 3.21Å; A238-F240 VanDerWaalsContact C-N 3.32Å; F240-V244 HydrophobicContact CD2-CG2 4.43Å; F240-V244 HydrophobicContact CE2-CG1 4.38Å; F240-E247 HydrophobicContact CB-CG 3.81Å; F240-E247 HydrophobicContact CD1-CB 4.46Å; F240-E247 HydrophobicContact CD1-CG 4.14Å; F240-E247 HydrophobicContact CD2-CB 3.84Å; F240-E247 HydrophobicContact CD2-CG 3.73Å; F240-E247 HydrophobicContact CE2-CB 3.9Å; F240-E247 HydrophobicContact CE2-CG 4.29Å; F240-E247 HydrophobicContact CG-CB 4.14Å; F240-E247 HydrophobicContact CG-CG 3.64Å; F240-E247 HydrophobicContact CZ-CB 4.24Å; F240-K395 PolarHBondContact O-NZ 3.22Å
241K90.4Very high82.4Confident80 Ų8048 Ų4835%0.34825%0.252SS..SBendtrans-71.9-48.3174.1-173.8172.7178.4-178.80108.4N239 E247 D320 K395 N396N239-K241 PolarHBondContact O-N 3.29Å; K241-E247 PolarHBondContact N-OE1 3.32Å; K241-D320 WeakPolarHBondContact CD-OD1 3.21Å; K241-D320 WeakPolarHBondContact CE-OD1 3.38Å; K241-D320 IonicContact NZ-OD1 3.83Å; K241-D320 PolarHBondContact NZ-OD1 2.87Å; K241-K395 WeakPolarHBondContact O-CE 3.45Å; K241-N396 PolarHBondContact O-ND2 3.13Å
242F94.4Very high82.8Confident10 Ų1049.1 Ų49.14%0.04427%0.273CS..SBendtrans-97.9-172.3-175.7-52.1-60.5000113.1L246 E247 I250 C319 D320 I392F242-L246 HydrophobicContact CB-CB 3.98Å; F242-L246 HydrophobicContact CB-CD2 3.76Å; F242-L246 HydrophobicContact CB-CG 3.95Å; F242-L246 HydrophobicContact CD1-CD2 4.11Å; F242-L246 HydrophobicContact CD2-CD2 4.24Å; F242-L246 HydrophobicContact CD2-CG 4.33Å; F242-L246 HydrophobicContact CG-CD2 3.77Å; F242-L246 HydrophobicContact CG-CG 4.19Å; F242-E247 HydrophobicContact CB-CG 4.14Å; F242-E247 PolarHBondContact N-OE1 2.79Å; F242-I250 HydrophobicContact CD2-CD1 3.66Å; F242-I250 HydrophobicContact CE2-CD1 3.83Å; F242-C319 HydrophobicContact CE1-CB 3.96Å; F242-C319 HydrophobicContact CE2-CB 3.91Å; F242-C319 HydrophobicContact CZ-CB 3.49Å; F242-C319 VanDerWaalsContact CZ-CB 3.49Å; F242-D320 VanDerWaalsContact CZ-OD1 3.27Å; F242-D320 WeakPolarHBondContact CZ-OD1 3.4Å; F242-I392 HydrophobicContact CD1-CB 4.49Å; F242-I392 HydrophobicContact CD1-CG2 4.15Å; F242-I392 HydrophobicContact CE1-CG2 4.19Å
243S91.5Very high83.3Confident15 Ų1552.7 Ų52.711%0.10529%0.291CS..  trans-65.1156.7169.887.70000112E245 L246 E247 A391S243-E245 VanDerWaalsContact CB-OE2 3.28Å; S243-E245 WeakPolarHBondContact CB-OE2 3.49Å; S243-E245 PolarHBondContact O-N 2.97Å; S243-E245 PolarHBondContact OG-N 3.4Å; S243-E245 PolarHBondContact OG-OE2 3.01Å; S243-L246 PolarHBondContact O-N 2.76Å; S243-L246 VanDerWaalsContact O-N 3.11Å; S243-L246 PolarHBondContact OG-N 2.86Å; S243-E247 WeakPolarHBondContact O-CG 3.43Å; S243-E247 PolarHBondContact O-N 3.45Å; S243-A391 WeakPolarHBondContact CB-O 3.19Å; S243-A391 PolarHBondContact N-O 3.35Å
244V86.5Confident84Confident42 Ų4251.6 Ų51.626%0.25529%0.287SS..Hα-helixtrans-54.7-40178.1-175.60000111.4I237 F240 A248I237-V244 HydrophobicContact CD1-CG2 3.61Å; I237-V244 HydrophobicContact CG1-CG2 3.79Å; I237-V244 HydrophobicContact CG2-CG2 4.06Å; F240-V244 HydrophobicContact CD2-CG2 4.43Å; F240-V244 HydrophobicContact CE2-CG1 4.38Å; V244-A248 VanDerWaalsContact O-CB 3.24Å; V244-A248 WeakPolarHBondContact O-CB 3.42Å; V244-A248 PolarHBondContact O-N 3.34Å
245E92Very high84.5Confident12 Ų1249.7 Ų49.76%0.05629%0.286CS..Hα-helixtrans-68.3-42179.5-55.179.1-17800111.8S243 A248 L249 L254 R418 C419S243-E245 VanDerWaalsContact CB-OE2 3.28Å; S243-E245 WeakPolarHBondContact CB-OE2 3.49Å; S243-E245 PolarHBondContact O-N 2.97Å; S243-E245 PolarHBondContact OG-N 3.4Å; S243-E245 PolarHBondContact OG-OE2 3.01Å; E245-A248 PolarHBondContact O-N 3.12Å; E245-L249 WeakPolarHBondContact O-CB 3.32Å; E245-L249 PolarHBondContact O-N 3.5Å; E245-L254 HydrophobicContact CB-CD2 4.23Å; E245-L254 WeakPolarHBondContact O-CD2 3.42Å; E245-R418 HydrophobicContact CB-CB 4.41Å; E245-R418 VanDerWaalsContact CD-NE 3.3Å; E245-R418 HydrophobicContact CG-CB 4.23Å; E245-R418 IonicContact OE1-CZ 3.25Å; E245-R418 IonicContact OE1-NE 2.69Å; E245-R418 PolarHBondContact OE1-NE 3.05Å; E245-R418 VanDerWaalsContact OE1-NE 3.15Å; E245-R418 IonicContact OE1-NH2 2.99Å; E245-R418 PolarHBondContact OE1-NH2 3.23Å; E245-R418 WeakPolarHBondContact OE2-CB 3.38Å; E245-R418 IonicContact OE2-CZ 2.69Å; E245-R418 IonicContact OE2-NE 2.67Å; E245-R418 PolarHBondContact OE2-NE 3.34Å; E245-R418 IonicContact OE2-NH2 3.76Å; E245-C419 VanDerWaalsContact CG-SG 3.58Å
246L93.6Very high85.1Confident0 Ų048.3 Ų48.30%028%0.278CS..Hα-helixtrans-69.4-40177.4-17952.9000111.5F242 S243 L249 I250 L315 A391 I392 A422 L425F242-L246 HydrophobicContact CB-CB 3.98Å; F242-L246 HydrophobicContact CB-CD2 3.76Å; F242-L246 HydrophobicContact CB-CG 3.95Å; F242-L246 HydrophobicContact CD1-CD2 4.11Å; F242-L246 HydrophobicContact CD2-CD2 4.24Å; F242-L246 HydrophobicContact CD2-CG 4.33Å; F242-L246 HydrophobicContact CG-CD2 3.77Å; F242-L246 HydrophobicContact CG-CG 4.19Å; S243-L246 PolarHBondContact O-N 2.76Å; S243-L246 VanDerWaalsContact O-N 3.11Å; S243-L246 PolarHBondContact OG-N 2.86Å; L246-L249 PolarHBondContact O-N 3.16Å; L246-I250 HydrophobicContact CD1-CD1 4.21Å; L246-I250 HydrophobicContact CD1-CG1 4.25Å; L246-I250 HydrophobicContact CG-CD1 4.04Å; L246-I250 VanDerWaalsContact O-CG1 3.25Å; L246-I250 WeakPolarHBondContact O-CG1 3.32Å; L246-I250 PolarHBondContact O-N 3.02Å; L246-L315 HydrophobicContact CD1-CD2 4.42Å; L246-A391 HydrophobicContact CD2-CB 4.34Å; L246-I392 HydrophobicContact CD2-CG1 4.38Å; L246-A422 HydrophobicContact CB-CB 4.22Å; L246-A422 HydrophobicContact CD1-CB 4.01Å; L246-L425 HydrophobicContact CD1-CD1 4.14Å; L246-L425 HydrophobicContact CD2-CD1 3.51Å
247E92.5Very high85.7Confident6 Ų645.6 Ų45.63%0.02827%0.273CS..Hα-helixtrans-64.1-42174.2-65.3-75.7-175.200111.2F240 K241 F242 S243 L249 I250 N251 R316F240-E247 HydrophobicContact CB-CG 3.81Å; F240-E247 HydrophobicContact CD1-CB 4.46Å; F240-E247 HydrophobicContact CD1-CG 4.14Å; F240-E247 HydrophobicContact CD2-CB 3.84Å; F240-E247 HydrophobicContact CD2-CG 3.73Å; F240-E247 HydrophobicContact CE2-CB 3.9Å; F240-E247 HydrophobicContact CE2-CG 4.29Å; F240-E247 HydrophobicContact CG-CB 4.14Å; F240-E247 HydrophobicContact CG-CG 3.64Å; F240-E247 HydrophobicContact CZ-CB 4.24Å; K241-E247 PolarHBondContact N-OE1 3.32Å; F242-E247 HydrophobicContact CB-CG 4.14Å; F242-E247 PolarHBondContact N-OE1 2.79Å; S243-E247 WeakPolarHBondContact O-CG 3.43Å; S243-E247 PolarHBondContact O-N 3.45Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 3.11Å; E247-I250 PolarHBondContact O-N 2.73Å; E247-N251 WeakPolarHBondContact O-CB 3.48Å; E247-N251 VanDerWaalsContact O-CG 3.23Å; E247-N251 PolarHBondContact O-N 3.46Å; E247-N251 PolarHBondContact O-ND2 2.74Å; E247-R316 IonicContact OE1-NH1 2.73Å; E247-R316 IonicContact OE2-CZ 3.1Å; E247-R316 IonicContact OE2-NH1 3.49Å; E247-R316 PolarHBondContact OE2-NH1 3.46Å; E247-R316 VanDerWaalsContact OE2-NH1 3.11Å; E247-R316 IonicContact OE2-NH2 3.26Å; E247-R316 PolarHBondContact OE2-NH2 3.15Å
248A88.5Confident86.2Confident24 Ų2444.1 Ų44.120%0.19826%0.264CS..Hα-helixtrans-60.7-41.8173.600000111.7V244 E245 N251 G252 N253 L254V244-A248 VanDerWaalsContact O-CB 3.24Å; V244-A248 WeakPolarHBondContact O-CB 3.42Å; V244-A248 PolarHBondContact O-N 3.34Å; E245-A248 PolarHBondContact O-N 3.12Å; A248-N251 PolarHBondContact O-N 3.46Å; A248-G252 PolarHBondContact O-N 3.09Å; A248-G252 VanDerWaalsContact O-N 3.15Å; A248-N253 HydrophobicContact CB-CB 4.46Å; A248-N253 WeakPolarHBondContact O-CA 3.4Å; A248-N253 PolarHBondContact O-N 3.07Å; A248-L254 HydrophobicContact CB-CB 4.03Å; A248-L254 PolarHBondContact O-N 3Å
249L91.8Very high86.9Confident13 Ų1340.9 Ų40.97%0.06824%0.237CC..Hα-helixtrans-65.2-42.8175.9-173.964.3000112.2E245 L246 E247 N251 G252 L254 T256 L315 A422 Q426E245-L249 WeakPolarHBondContact O-CB 3.32Å; E245-L249 PolarHBondContact O-N 3.5Å; L246-L249 PolarHBondContact O-N 3.16Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 3.11Å; L249-N251 VanDerWaalsContact C-N 3.26Å; L249-N251 PolarHBondContact O-N 2.87Å; L249-G252 PolarHBondContact O-N 3.17Å; L249-G252 VanDerWaalsContact O-N 3.12Å; L249-L254 HydrophobicContact CB-CB 4.19Å; L249-L254 HydrophobicContact CB-CD2 4.11Å; L249-L254 HydrophobicContact CD1-CB 4.34Å; L249-T256 HydrophobicContact CD1-CG2 3.76Å; L249-L315 HydrophobicContact CD2-CD2 4.07Å; L249-L315 HydrophobicContact CG-CD2 4.01Å; L249-A422 HydrophobicContact CB-CB 4.42Å; L249-A422 VanDerWaalsContact CD2-C 3.49Å; L249-A422 HydrophobicContact CD2-CB 3.68Å; L249-A422 VanDerWaalsContact CD2-O 3.27Å; L249-A422 WeakPolarHBondContact CD2-O 3.03Å; L249-Q426 HydrophobicContact CD2-CB 4.17Å
250I92.7Very high87.7Confident3 Ų337.6 Ų37.62%0.01522%0.217CC..Hα-helixtrans-60.2-40.2176-71.2164.3000110.5F242 L246 E247 G252 S312 L315 R316F242-I250 HydrophobicContact CD2-CD1 3.66Å; F242-I250 HydrophobicContact CE2-CD1 3.83Å; L246-I250 HydrophobicContact CD1-CD1 4.21Å; L246-I250 HydrophobicContact CD1-CG1 4.25Å; L246-I250 HydrophobicContact CG-CD1 4.04Å; L246-I250 VanDerWaalsContact O-CG1 3.25Å; L246-I250 WeakPolarHBondContact O-CG1 3.32Å; L246-I250 PolarHBondContact O-N 3.02Å; E247-I250 PolarHBondContact O-N 2.73Å; I250-G252 PolarHBondContact O-N 3.4Å; I250-S312 WeakPolarHBondContact CG2-OG 3.42Å; I250-S312 WeakPolarHBondContact O-CA 3.5Å; I250-S312 WeakPolarHBondContact O-CB 3.31Å; I250-S312 PolarHBondContact O-OG 3.07Å; I250-L315 HydrophobicContact CG1-CB 4.31Å; I250-L315 HydrophobicContact CG1-CD2 3.77Å; I250-L315 HydrophobicContact CG1-CG 3.83Å; I250-R316 HydrophobicContact CD1-CB 4.5Å; I250-R316 HydrophobicContact CG2-CB 4Å
251N88.7Confident88Confident71 Ų7139 Ų3938%0.3822%0.224SC..THydrogen-bonded Turntrans-80.4-2.3-179.7-62.6-17.7000113.2E247 A248 L249 N253E247-N251 WeakPolarHBondContact O-CB 3.48Å; E247-N251 VanDerWaalsContact O-CG 3.23Å; E247-N251 PolarHBondContact O-N 3.46Å; E247-N251 PolarHBondContact O-ND2 2.74Å; A248-N251 PolarHBondContact O-N 3.46Å; L249-N251 VanDerWaalsContact C-N 3.26Å; L249-N251 PolarHBondContact O-N 2.87Å; N251-N253 VanDerWaalsContact C-N 3.33Å
252G86.4Confident88Confident61 Ų6135.2 Ų35.263%0.62921%0.208SC*.THydrogen-bonded Turntrans79.413.4-17900000114.5A248 L249 I250A248-G252 PolarHBondContact O-N 3.09Å; A248-G252 VanDerWaalsContact O-N 3.15Å; L249-G252 PolarHBondContact O-N 3.17Å; L249-G252 VanDerWaalsContact O-N 3.12Å; I250-G252 PolarHBondContact O-N 3.4Å
253N79.9Confident87.9Confident89 Ų8935.8 Ų35.848%0.47621%0.212SC..  trans-97.33.2-174.2-66.8-16.6000113.4E178 A248 N251E178-N253 PolarHBondContact OE1-ND2 3.42Å; E178-N253 PolarHBondContact OE2-ND2 2.78Å; A248-N253 HydrophobicContact CB-CB 4.46Å; A248-N253 WeakPolarHBondContact O-CA 3.4Å; A248-N253 PolarHBondContact O-N 3.07Å; N251-N253 VanDerWaalsContact C-N 3.33Å
254L81.6Confident88Confident41 Ų4138 Ų3822%0.21523%0.226CC..SBendtrans-119.7129.4-179.5-172.571.5000112.1E245 A248 L249E245-L254 HydrophobicContact CB-CD2 4.23Å; E245-L254 WeakPolarHBondContact O-CD2 3.42Å; A248-L254 HydrophobicContact CB-CB 4.03Å; A248-L254 PolarHBondContact O-N 3Å; L249-L254 HydrophobicContact CB-CB 4.19Å; L249-L254 HydrophobicContact CB-CD2 4.11Å; L249-L254 HydrophobicContact CD1-CB 4.34Å
255S81.6Confident88.2Confident65 Ų6539.4 Ų39.446%0.45523%0.232SC..  trans-74.9135.5169.41790000111.1S123 L257S123-S255 WeakPolarHBondContact CB-OG 3.35Å; S123-S255 PolarHBondContact OG-OG 3.27Å; S255-L257 PolarHBondContact OG-N 3.4Å
256T83.9Confident88.1Confident37 Ų3739 Ų3923%0.22723%0.231CC..  trans-88.8-13.6178.650.40000113.8L249 Q258 S259 E260 L423L249-T256 HydrophobicContact CD1-CG2 3.76Å; T256-Q258 PolarHBondContact O-N 2.87Å; T256-S259 WeakPolarHBondContact O-CA 3.37Å; T256-S259 WeakPolarHBondContact O-CB 3.44Å; T256-S259 PolarHBondContact O-N 2.73Å; T256-E260 WeakPolarHBondContact O-CG 3.15Å; T256-E260 PolarHBondContact O-N 3.35Å; T256-L423 HydrophobicContact CG2-CD1 3.96Å
257L81.4Confident88Confident67 Ų6741.3 Ų41.335%0.35124%0.244SC..Hα-helixtrans-58.4-46.6-167.4-179.371.2000112.7S255 S259 E260 E261S255-L257 PolarHBondContact OG-N 3.4Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 3.35Å; L257-E260 WeakPolarHBondContact O-CB 3.37Å; L257-E260 PolarHBondContact O-N 3.24Å; L257-E261 PolarHBondContact O-N 2.94Å
258Q80.6Confident87.8Confident27 Ų2745.6 Ų45.613%0.12627%0.267CS..Hα-helixtrans-61.6-37.6175.5179.452.524.700113S123 S124 T256 E260 E261 D262S123-Q258 WeakPolarHBondContact O-CB 3.44Å; S124-Q258 PolarHBondContact O-OE1 3.02Å; T256-Q258 PolarHBondContact O-N 2.87Å; Q258-E260 PolarHBondContact O-N 3.3Å; Q258-E261 PolarHBondContact O-N 3.36Å; Q258-E261 PolarHBondContact OE1-OE2 2.94Å; Q258-D262 PolarHBondContact NE2-OD1 3.44Å; Q258-D262 WeakPolarHBondContact O-CB 3.35Å; Q258-D262 PolarHBondContact O-N 2.98Å
259S86.7Confident87.8Confident4 Ų446 Ų463%0.02827%0.268CS..Hα-helixtrans-69-28.4179.6-58.80000111T256 L257 L263 C419 L423T256-S259 WeakPolarHBondContact O-CA 3.37Å; T256-S259 WeakPolarHBondContact O-CB 3.44Å; T256-S259 PolarHBondContact O-N 2.73Å; L257-S259 VanDerWaalsContact C-N 3.27Å; L257-S259 PolarHBondContact O-N 3.35Å; S259-L263 WeakPolarHBondContact O-CB 3.46Å; S259-L263 PolarHBondContact O-N 3.48Å; S259-C419 WeakPolarHBondContact OG-CB 3.44Å; S259-C419 PolarHBondContact OG-O 2.98Å; S259-L423 WeakPolarHBondContact O-CD2 3.12Å
260E91.4Very high87.6Confident78 Ų7845.8 Ų45.836%0.36427%0.267SS..Hα-helixtrans-72.8-41.4175.1-66.2-165.6142.500111.5T256 L257 Q258 L263 S264 L423 K427T256-E260 WeakPolarHBondContact O-CG 3.15Å; T256-E260 PolarHBondContact O-N 3.35Å; L257-E260 WeakPolarHBondContact O-CB 3.37Å; L257-E260 PolarHBondContact O-N 3.24Å; Q258-E260 PolarHBondContact O-N 3.3Å; E260-L263 PolarHBondContact O-N 2.93Å; E260-S264 PolarHBondContact O-N 3.41Å; E260-L423 HydrophobicContact CB-CD2 4.4Å; E260-L423 HydrophobicContact CG-CD1 3.96Å; E260-L423 HydrophobicContact CG-CD2 3.74Å; E260-K427 IonicContact OE1-NZ 3.69Å; E260-K427 PolarHBondContact OE1-NZ 3.38Å
261E91.1Very high87.2Confident74 Ų7448.4 Ų48.435%0.34629%0.285SS..Hα-helixtrans-60.7-45.8170.7-68176.5-165.900111.2S124 L257 Q258 L263 S264 I265S124-E261 WeakPolarHBondContact CB-OE2 3.45Å; L257-E261 PolarHBondContact O-N 2.94Å; Q258-E261 PolarHBondContact O-N 3.36Å; Q258-E261 PolarHBondContact OE1-OE2 2.94Å; E261-L263 VanDerWaalsContact C-N 3.3Å; E261-L263 PolarHBondContact O-N 3.32Å; E261-S264 WeakPolarHBondContact O-CB 3.26Å; E261-S264 PolarHBondContact O-N 3.4Å; E261-S264 VanDerWaalsContact O-N 3.09Å; E261-I265 WeakPolarHBondContact O-CG1 3.2Å; E261-I265 PolarHBondContact O-N 2.99Å
262D91.2Very high86.5Confident0 Ų047.9 Ų47.90%029%0.287CS..Hα-helixtrans-57.1-43.1174.7-78.2-10000112Q258 I265 L266 W412 R416Q258-D262 PolarHBondContact NE2-OD1 3.44Å; Q258-D262 WeakPolarHBondContact O-CB 3.35Å; Q258-D262 PolarHBondContact O-N 2.98Å; D262-I265 PolarHBondContact O-N 2.9Å; D262-L266 WeakPolarHBondContact O-CG 3.21Å; D262-L266 PolarHBondContact O-N 3.33Å; D262-W412 HydrophobicContact CB-CH2 3.52Å; D262-W412 HydrophobicContact CB-CZ2 4.35Å; D262-W412 HydrophobicContact CB-CZ3 3.81Å; D262-R416 VanDerWaalsContact CG-NE 3.32Å; D262-R416 IonicContact OD1-CZ 2.62Å; D262-R416 IonicContact OD1-NE 3.32Å; D262-R416 PolarHBondContact OD1-NE 3.01Å; D262-R416 IonicContact OD1-NH2 3.82Å; D262-R416 PolarHBondContact OD1-NH2 3.42Å; D262-R416 WeakPolarHBondContact OD2-CG 3.45Å; D262-R416 IonicContact OD2-CZ 2.62Å; D262-R416 IonicContact OD2-NE 3.11Å; D262-R416 PolarHBondContact OD2-NE 3.23Å
263L93.3Very high85.1Confident23 Ų2352.3 Ų52.312%0.1230%0.296CS..Hα-helixtrans-64.9-40.7175.9-177.860.2000111.3S259 E260 E261 L266 V267 L420 L423 L424 K427S259-L263 WeakPolarHBondContact O-CB 3.46Å; S259-L263 PolarHBondContact O-N 3.48Å; E260-L263 PolarHBondContact O-N 2.93Å; E261-L263 VanDerWaalsContact C-N 3.3Å; E261-L263 PolarHBondContact O-N 3.32Å; L263-L266 PolarHBondContact O-N 3.33Å; L263-V267 HydrophobicContact CD1-CG2 4.37Å; L263-V267 VanDerWaalsContact O-CG2 3.31Å; L263-V267 WeakPolarHBondContact O-CG2 3.24Å; L263-V267 PolarHBondContact O-N 3.1Å; L263-L420 HydrophobicContact CB-CD1 4.07Å; L263-L420 HydrophobicContact CD1-CD1 4.34Å; L263-L423 HydrophobicContact CB-CD2 4.36Å; L263-L423 HydrophobicContact CD2-CD2 4.29Å; L263-L424 HydrophobicContact CD1-CD2 4.11Å; L263-L424 HydrophobicContact CD2-CD2 4.45Å; L263-K427 HydrophobicContact CD2-CD 4.32Å
264S92.5Very high84Confident60 Ų6050 Ų5042%0.4228%0.284SS..Hα-helixtrans-61.1-48.5175.1-163.70000111.4E260 E261 L266 V267 D268E260-S264 PolarHBondContact O-N 3.41Å; E261-S264 WeakPolarHBondContact O-CB 3.26Å; E261-S264 PolarHBondContact O-N 3.4Å; E261-S264 VanDerWaalsContact O-N 3.09Å; S264-L266 PolarHBondContact O-N 3.41Å; S264-V267 PolarHBondContact O-N 3.49Å; S264-V267 VanDerWaalsContact O-N 3.11Å; S264-D268 WeakPolarHBondContact O-CB 3.44Å; S264-D268 VanDerWaalsContact O-CG 3.28Å; S264-D268 PolarHBondContact O-N 2.91Å
265I89.9Confident82.4Confident73 Ų7353.2 Ų53.237%0.37432%0.317SS..Hα-helixtrans-55.2-42177-69.4165.2000110.9E261 D262 C269 P408E261-I265 WeakPolarHBondContact O-CG1 3.2Å; E261-I265 PolarHBondContact O-N 2.99Å; D262-I265 PolarHBondContact O-N 2.9Å; I265-C269 VanDerWaalsContact O-CB 3.24Å; I265-C269 WeakPolarHBondContact O-CB 3.43Å; I265-C269 PolarHBondContact O-N 2.94Å; I265-P408 HydrophobicContact CG2-CB 4.2Å; I265-P408 HydrophobicContact CG2-CG 3.79Å
266L90.7Very high81Confident4 Ų453.7 Ų53.72%0.02132%0.324CS..Hα-helixtrans-66.8-47.7176.8-74.6170.6000112.3D262 L263 S264 D268 C269 F270 T383 P408 A409 W412 L420D262-L266 WeakPolarHBondContact O-CG 3.21Å; D262-L266 PolarHBondContact O-N 3.33Å; L263-L266 PolarHBondContact O-N 3.33Å; S264-L266 PolarHBondContact O-N 3.41Å; L266-D268 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 3.27Å; L266-C269 PolarHBondContact O-N 3.44Å; L266-F270 HydrophobicContact CB-CD2 4.34Å; L266-F270 HydrophobicContact CB-CE2 4.19Å; L266-F270 HydrophobicContact CD2-CE2 3.76Å; L266-F270 HydrophobicContact CD2-CZ 4.28Å; L266-F270 WeakPolarHBondContact O-CD2 3.46Å; L266-F270 WeakPolarHBondContact O-CG 3.24Å; L266-F270 PolarHBondContact O-N 3.43Å; L266-T383 HydrophobicContact CD1-CG2 4.27Å; L266-T383 HydrophobicContact CD2-CG2 4.19Å; L266-P408 HydrophobicContact CD2-CG 3.83Å; L266-A409 HydrophobicContact CD1-CB 4.29Å; L266-A409 HydrophobicContact CD2-CB 3.66Å; L266-W412 HydrophobicContact CD1-CH2 3.7Å; L266-W412 HydrophobicContact CD1-CZ3 4.02Å; L266-W412 HydrophobicContact CD2-CH2 4.3Å; L266-W412 HydrophobicContact CG-CH2 3.76Å; L266-W412 HydrophobicContact CG-CZ2 4.34Å; L266-L420 HydrophobicContact CD1-CD1 4.38Å; L266-L420 HydrophobicContact CD1-CD2 3.36Å
267V90.9Very high79.7Confident47 Ų4754.6 Ų54.629%0.28534%0.341SS..Hα-helixtrans-60.4-42.9179.5170.10000110.8L263 S264 F270 S271L263-V267 HydrophobicContact CD1-CG2 4.37Å; L263-V267 VanDerWaalsContact O-CG2 3.31Å; L263-V267 WeakPolarHBondContact O-CG2 3.24Å; L263-V267 PolarHBondContact O-N 3.1Å; S264-V267 PolarHBondContact O-N 3.49Å; S264-V267 VanDerWaalsContact O-N 3.11Å; V267-F270 PolarHBondContact O-N 3.09Å; V267-S271 WeakPolarHBondContact O-CB 3.33Å; V267-S271 PolarHBondContact O-N 3.1Å; V267-S271 PolarHBondContact O-OG 2.93Å
268D89.3Confident78.8Confident97 Ų9759.2 Ų59.252%0.51935%0.354SS..Hα-helixtrans-65.9-42.7177.9-67.9-26.5000111.5S264 L266 F270 S271 S272S264-D268 WeakPolarHBondContact O-CB 3.44Å; S264-D268 VanDerWaalsContact O-CG 3.28Å; S264-D268 PolarHBondContact O-N 2.91Å; L266-D268 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 3.27Å; D268-F270 VanDerWaalsContact C-N 3.35Å; D268-F270 PolarHBondContact O-N 2.93Å; D268-S271 PolarHBondContact O-N 2.78Å; D268-S272 VanDerWaalsContact O-CB 3.32Å; D268-S272 WeakPolarHBondContact O-CB 3.23Å; D268-S272 PolarHBondContact O-N 3.23Å; D268-S272 PolarHBondContact O-OG 3.05Å
269C88.2Confident78.1Confident32 Ų3267.4 Ų67.422%0.21639%0.389CS..Hα-helixtrans-62.3-40.5176.7-176.40000112.4I265 L266 S272 P408I265-C269 VanDerWaalsContact O-CB 3.24Å; I265-C269 WeakPolarHBondContact O-CB 3.43Å; I265-C269 PolarHBondContact O-N 2.94Å; L266-C269 PolarHBondContact O-N 3.44Å; C269-S272 PolarHBondContact O-OG 2.91Å; C269-P408 HydrophobicContact CB-CG 4.17Å; C269-P408 WeakPolarHBondContact SG-CD 3.5Å
270F87.6Confident77.5Confident9 Ų968.7 Ų68.74%0.03939%0.394CS..Hα-helixtrans-84.9-20.7-179.2-64.6-51.9000113.8L266 V267 D268 W280 I377 A379 E380L266-F270 HydrophobicContact CB-CD2 4.34Å; L266-F270 HydrophobicContact CB-CE2 4.19Å; L266-F270 HydrophobicContact CD2-CE2 3.76Å; L266-F270 HydrophobicContact CD2-CZ 4.28Å; L266-F270 WeakPolarHBondContact O-CD2 3.46Å; L266-F270 WeakPolarHBondContact O-CG 3.24Å; L266-F270 PolarHBondContact O-N 3.43Å; V267-F270 PolarHBondContact O-N 3.09Å; D268-F270 VanDerWaalsContact C-N 3.35Å; D268-F270 PolarHBondContact O-N 2.93Å; F270-W280 HydrophobicContact CD1-CD2 4.48Å; F270-W280 AromaticContact CD1-CH2 3.95Å; F270-W280 HydrophobicContact CD1-CH2 3.95Å; F270-W280 AromaticContact CD1-CZ2 3.77Å; F270-W280 HydrophobicContact CD1-CZ2 3.77Å; F270-W280 HydrophobicContact CD1-CZ3 4.39Å; F270-W280 HydrophobicContact CE1-CE3 4.23Å; F270-W280 AromaticContact CE1-CH2 3.65Å; F270-W280 HydrophobicContact CE1-CH2 3.65Å; F270-W280 AromaticContact CE1-CZ2 3.97Å; F270-W280 HydrophobicContact CE1-CZ2 3.97Å; F270-W280 AromaticContact CE1-CZ3 3.8Å; F270-W280 HydrophobicContact CE1-CZ3 3.8Å; F270-I377 HydrophobicContact CB-CD1 3.79Å; F270-I377 HydrophobicContact CB-CG1 4.21Å; F270-I377 HydrophobicContact CD1-CD1 3.74Å; F270-I377 HydrophobicContact CD1-CG1 4.46Å; F270-I377 HydrophobicContact CG-CD1 4.07Å; F270-I377 HydrophobicContact CG-CG1 4.49Å; F270-A379 HydrophobicContact CD1-CB 4.28Å; F270-A379 HydrophobicContact CE1-CB 3.82Å; F270-E380 HydrophobicContact CB-CB 4.19Å; F270-E380 HydrophobicContact CD1-CB 4.47Å; F270-E380 HydrophobicContact CD2-CB 3.51Å; F270-E380 HydrophobicContact CD2-CG 3.57Å; F270-E380 HydrophobicContact CE2-CB 3.92Å; F270-E380 HydrophobicContact CE2-CG 4.03Å; F270-E380 HydrophobicContact CG-CB 3.82Å; F270-E380 HydrophobicContact CG-CG 4.28Å
271S83.9Confident76.3Confident57 Ų5772.7 Ų72.740%0.39941%0.405SS..Hα-helixtrans-87.9-29.4177-62.50000113.2V267 D268 N273V267-S271 WeakPolarHBondContact O-CB 3.33Å; V267-S271 PolarHBondContact O-N 3.1Å; V267-S271 PolarHBondContact O-OG 2.93Å; D268-S271 PolarHBondContact O-N 2.78Å; S271-N273 PolarHBondContact O-N 3.26Å
272S73.9Confident75.4Confident60 Ų6073 Ų7342%0.4242%0.416SS..SBendtrans-64.8124.6176.453.30000110.2D268 C269 N274D268-S272 VanDerWaalsContact O-CB 3.32Å; D268-S272 WeakPolarHBondContact O-CB 3.23Å; D268-S272 PolarHBondContact O-N 3.23Å; D268-S272 PolarHBondContact O-OG 3.05Å; C269-S272 PolarHBondContact O-OG 2.91Å; S272-N274 PolarHBondContact O-N 3.22Å
273N57.7Low74.9Confident154 Ų15474.6 Ų74.682%0.82443%0.432SS*.  trans-63.888169.8-87.4-14.1000108.1S271 A275S271-N273 PolarHBondContact O-N 3.26Å; N273-A275 VanDerWaalsContact C-N 3.35Å; N273-A275 PolarHBondContact O-N 3.08Å
274N55.8Low74.4Confident41 Ų4177.9 Ų77.922%0.21945%0.446CS..  trans21.966.7165.5-80.6-13.4000114.9S272 A276 G277 R278 Q284S272-N274 PolarHBondContact O-N 3.22Å; N274-A276 PolarHBondContact O-N 2.9Å; N274-G277 PolarHBondContact O-N 3.49Å; N274-G277 VanDerWaalsContact O-N 3.1Å; N274-R278 PolarHBondContact ND2-O 3.41Å; N274-R278 PolarHBondContact OD1-O 3.31Å; N274-Q284 PolarHBondContact ND2-NE2 3.29Å
275A48.4Very low74.2Confident109 Ų10979.5 Ų79.590%0.90145%0.454SS*.THydrogen-bonded Turntrans-57.9-19.4170.600000111.3N273N273-A275 VanDerWaalsContact C-N 3.35Å; N273-A275 PolarHBondContact O-N 3.08Å
276A52.8Low74.1Confident74 Ų7481.7 Ų81.761%0.61246%0.461SS*.THydrogen-bonded Turntrans-110.313.7179.200000115.2N274 R278N274-A276 PolarHBondContact O-N 2.9Å; A276-R278 HydrophobicContact CB-CG 4.44Å; A276-R278 PolarHBondContact O-N 3.13Å
277G56.5Low74.1Confident57 Ų5783.7 Ų83.759%0.58847%0.471SS*.  trans64.610.5177.200000116.4N274 K279N274-G277 PolarHBondContact O-N 3.49Å; N274-G277 VanDerWaalsContact O-N 3.1Å; G277-K279 PolarHBondContact O-N 2.81Å; G277-K279 VanDerWaalsContact O-N 3.11Å
278R61.9Low74.3Confident164 Ų16481.5 Ų81.562%0.61946%0.458SS*.  trans-70.2103.4-176.4-73.5-175.8-172165.82.8112.2N274 A276 W280N274-R278 PolarHBondContact ND2-O 3.41Å; N274-R278 PolarHBondContact OD1-O 3.31Å; A276-R278 HydrophobicContact CB-CG 4.44Å; A276-R278 PolarHBondContact O-N 3.13Å; R278-W280 PolarHBondContact O-N 3.19Å; R278-W280 VanDerWaalsContact O-N 3.11Å
279K67.1Low74.5Confident199 Ų19977 Ų7787%0.86543%0.434SS*.  trans-65.8111.5172.2-72.2-179-180178.10110.6G277G277-K279 PolarHBondContact O-N 2.81Å; G277-K279 VanDerWaalsContact O-N 3.11Å
280W74.5Confident75Confident30 Ų3075.5 Ų75.511%0.11442%0.424CS..  trans-66139.1174-65.6110.3000111.5F270 R278 S282 G283 I377 A379F270-W280 HydrophobicContact CD1-CD2 4.48Å; F270-W280 AromaticContact CD1-CH2 3.95Å; F270-W280 HydrophobicContact CD1-CH2 3.95Å; F270-W280 AromaticContact CD1-CZ2 3.77Å; F270-W280 HydrophobicContact CD1-CZ2 3.77Å; F270-W280 HydrophobicContact CD1-CZ3 4.39Å; F270-W280 HydrophobicContact CE1-CE3 4.23Å; F270-W280 AromaticContact CE1-CH2 3.65Å; F270-W280 HydrophobicContact CE1-CH2 3.65Å; F270-W280 AromaticContact CE1-CZ2 3.97Å; F270-W280 HydrophobicContact CE1-CZ2 3.97Å; F270-W280 AromaticContact CE1-CZ3 3.8Å; F270-W280 HydrophobicContact CE1-CZ3 3.8Å; R278-W280 PolarHBondContact O-N 3.19Å; R278-W280 VanDerWaalsContact O-N 3.11Å; W280-S282 PolarHBondContact O-N 3.36Å; W280-G283 PolarHBondContact O-N 2.89Å; W280-I377 HydrophobicContact CG-CD1 4.32Å; W280-A379 HydrophobicContact CB-CB 4.38Å; W280-A379 HydrophobicContact CD2-CB 4.18Å; W280-A379 HydrophobicContact CE3-CB 3.88Å; W280-A379 HydrophobicContact CG-CB 4.42Å
281R66Low75.4Confident163 Ų16375.9 Ų75.962%0.61543%0.425SS*.THydrogen-bonded Turntrans-59.4130175-160.8-175.9-141.4167.77.3109.2E404 Y406R281-E404 IonicContact NH1-OE2 2.97Å; R281-Y406 HydrophobicContact CB-CE1 3.99Å; R281-Y406 WeakPolarHBondContact CD-OH 3.5Å; R281-Y406 PolarHBondContact NH1-OH 3.36Å
282S72.5Confident76Confident81 Ų8173.1 Ų73.157%0.56641%0.406SS*.THydrogen-bonded Turntrans75.310.6-179.4-37.50000116.7W280W280-S282 PolarHBondContact O-N 3.36Å
283G80.1Confident77.2Confident32 Ų3270.3 Ų70.333%0.3339%0.386SS..  trans91.1-179.1173.300000114.5W280W280-G283 PolarHBondContact O-N 2.89Å
284Q83.3Confident79.1Confident92 Ų9263 Ų6343%0.4335%0.347SS..SBendtrans-115.98.5-173.5-66.8179.3-67.800113.2N274 K286 I377N274-Q284 PolarHBondContact ND2-NE2 3.29Å; Q284-K286 PolarHBondContact O-N 2.98Å; Q284-I377 WeakPolarHBondContact O-CG2 3.39Å
285T86.6Confident81.1Confident95 Ų9561.2 Ų61.258%0.58334%0.338SS*.  trans-65.2126.7177.6-490000109.6D287T285-D287 HydrophobicContact CG2-CB 3.95Å; T285-D287 PolarHBondContact O-N 3.44Å
286K88.9Confident83.4Confident119 Ų11956.4 Ų56.452%0.51730%0.297SS..SBendtrans-79.757.6177.4-70-173179.5-171.60111.7Q284 S375 L376 I377Q284-K286 PolarHBondContact O-N 2.98Å; K286-S375 WeakPolarHBondContact CB-O 3.31Å; K286-L376 CarbonylContact C-O 3.31Å; K286-L376 WeakPolarHBondContact CA-O 3.33Å; K286-I377 HydrophobicContact CG-CG2 3.73Å
287D91.3Very high85.5Confident45 Ų4555.9 Ų55.924%0.24129%0.287CS..  trans-111.94.2-176.474.3-20.9000113.9T285 K329 R330 L376T285-D287 HydrophobicContact CG2-CB 3.95Å; T285-D287 PolarHBondContact O-N 3.44Å; D287-K329 CarbonylContact O-C 3.58Å; D287-K329 WeakPolarHBondContact O-CA 3.3Å; D287-R330 PolarHBondContact O-N 2.87Å; D287-L376 PolarHBondContact N-O 2.88Å
288C93.6Very high87.4Confident1 Ų155.8 Ų55.81%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-100.8158.1-177.3-65.90000112.2G328 S375 L376 A381C288-G328 VanDerWaalsContact CA-O 3.3Å; C288-G328 WeakPolarHBondContact CA-O 3.34Å; C288-S375 PolarHBondContact O-N 3.01Å; C288-L376 HydrophobicContact CB-CB 4.42Å; C288-L376 WeakPolarHBondContact CB-O 3.45Å; C288-L376 PolarHBondContact N-O 3.41Å; C288-L376 PolarHBondContact O-N 3.08Å; C288-A381 HydrophobicContact CB-CB 3.86Å
289F95.1Very high89.1Confident2 Ų248 Ų481%0.00925%0.245CC..EExtended strand (participates in β ladder)trans-148.2164.9172.364.2-89.8000109.7Y291 K327 G328 K329 P333 H371 W373 Q374F289-Y291 AromaticContact CE2-CD1 3.9Å; F289-Y291 HydrophobicContact CE2-CD1 3.9Å; F289-Y291 HydrophobicContact CE2-CG 4.36Å; F289-K327 CarbonylContact O-C 3.58Å; F289-K327 VanDerWaalsContact O-CA 3.29Å; F289-K327 WeakPolarHBondContact O-CA 3.47Å; F289-G328 PolarHBondContact N-O 3.47Å; F289-G328 VanDerWaalsContact N-O 3.11Å; F289-G328 PolarHBondContact O-N 2.98Å; F289-K329 WeakPolarHBondContact CE1-O 3.21Å; F289-P333 HydrophobicContact CZ-CB 4.24Å; F289-H371 HydrophobicContact CD2-CB 3.93Å; F289-H371 HydrophobicContact CE2-CB 4Å; F289-H371 AromaticContact CE2-CD2 3.64Å; F289-H371 AromaticContact CE2-CG 3.6Å; F289-W373 WeakPolarHBondContact CA-O 3.46Å; F289-Q374 VanDerWaalsContact CB-OE1 3.25Å
290C96.7Very high90.5Very high1 Ų145.3 Ų45.31%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-100.5152.4170.6-66.60000110.2G326 V372 W373 A381C290-G326 CarbonylContact C-O 3.57Å; C290-G326 WeakPolarHBondContact CA-O 3.33Å; C290-V372 CarbonylContact C-O 3.51Å; C290-V372 HydrophobicContact CB-CG1 4.01Å; C290-V372 PolarHBondContact N-O 2.91Å; C290-V372 PolarHBondContact O-N 3.37Å; C290-W373 HydrophobicContact CB-CE3 3.53Å; C290-W373 HydrophobicContact CB-CZ3 3.89Å; C290-A381 PolarHBondContact SG-O 3.35Å
291Y96.8Very high91.4Very high17 Ų1746.1 Ų46.17%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-143156.217566.3-89.6000112.1F289 L293 Y324 G326 K327 H336 F370F289-Y291 AromaticContact CE2-CD1 3.9Å; F289-Y291 HydrophobicContact CE2-CD1 3.9Å; F289-Y291 HydrophobicContact CE2-CG 4.36Å; Y291-L293 HydrophobicContact CD2-CD2 3.9Å; Y291-L293 HydrophobicContact CD2-CG 4.36Å; Y291-L293 HydrophobicContact CE2-CD2 3.97Å; Y291-L293 HydrophobicContact CE2-CG 4.2Å; Y291-Y324 AromaticContact CE2-CD1 3.81Å; Y291-Y324 HydrophobicContact CE2-CD1 3.81Å; Y291-Y324 AromaticContact CE2-CE1 3.67Å; Y291-Y324 HydrophobicContact CE2-CE1 3.67Å; Y291-Y324 AromaticContact CZ-CE1 3.8Å; Y291-Y324 WeakPolarHBondContact OH-CE1 3.35Å; Y291-G326 WeakPolarHBondContact CD1-O 3.44Å; Y291-G326 PolarHBondContact N-O 3.21Å; Y291-G326 PolarHBondContact O-N 2.88Å; Y291-K327 WeakPolarHBondContact CE1-O 3.37Å; Y291-H336 AromaticContact CE2-CE1 3.92Å; Y291-H336 AromaticContact CE2-CG 4Å; Y291-H336 AromaticContact CE2-ND1 3.7Å; Y291-H336 AromaticContact CZ-ND1 3.78Å; Y291-F370 CarbonylContact C-O 3.59Å; Y291-F370 WeakPolarHBondContact CA-O 3.46Å; Y291-F370 WeakPolarHBondContact CB-O 3.48Å
292F97.6Very high92.9Very high0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-117.5138172.5-51.6-58.8000109.4I294 F318 I322 Y324 V325 F370 V372 W373 V388 A428F292-I294 HydrophobicContact CB-CD1 4.32Å; F292-I294 HydrophobicContact CB-CG1 4.15Å; F292-F318 HydrophobicContact CD2-CZ 4.21Å; F292-F318 HydrophobicContact CE2-CZ 4.37Å; F292-I322 HydrophobicContact CB-CG1 4.3Å; F292-I322 HydrophobicContact CB-CG2 4.36Å; F292-I322 HydrophobicContact CD1-CD1 4.3Å; F292-I322 HydrophobicContact CD1-CG2 4.3Å; F292-I322 HydrophobicContact CG-CD1 4.23Å; F292-Y324 WeakPolarHBondContact CA-O 3.45Å; F292-V325 HydrophobicContact CD1-CB 4.3Å; F292-V325 HydrophobicContact CD1-CG1 4Å; F292-V325 HydrophobicContact CD1-CG2 3.96Å; F292-V325 HydrophobicContact CE1-CB 4.47Å; F292-V325 HydrophobicContact CE1-CG1 3.75Å; F292-V325 HydrophobicContact CE1-CG2 4.17Å; F292-F370 AromaticContact CD2-CD1 3.6Å; F292-F370 HydrophobicContact CD2-CD1 3.6Å; F292-F370 AromaticContact CD2-CE1 3.95Å; F292-F370 HydrophobicContact CD2-CE1 3.95Å; F292-F370 HydrophobicContact CE2-CD1 4.33Å; F292-F370 HydrophobicContact CE2-CE1 4.23Å; F292-F370 PolarHBondContact N-O 3.27Å; F292-F370 PolarHBondContact O-N 3.24Å; F292-V372 HydrophobicContact CD2-CG1 4.2Å; F292-V372 HydrophobicContact CE2-CB 4.32Å; F292-V372 HydrophobicContact CE2-CG1 3.49Å; F292-V372 VanDerWaalsContact CE2-CG1 3.49Å; F292-V372 HydrophobicContact CZ-CG1 3.93Å; F292-W373 HydrophobicContact CE2-CH2 4.5Å; F292-W373 AromaticContact CZ-CH2 3.82Å; F292-W373 HydrophobicContact CZ-CH2 3.82Å; F292-W373 HydrophobicContact CZ-CZ3 4.09Å; F292-V388 HydrophobicContact CE1-CG1 3.83Å; F292-V388 HydrophobicContact CZ-CG1 4.4Å; F292-A428 HydrophobicContact CE2-CB 3.62Å; F292-A428 HydrophobicContact CZ-CB 4.16Å
293L97.7Very high94Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-95119.8161.6-48.8-177.4000108Y291 F323 Y324 H336 K353 I357 V367 V368Y291-L293 HydrophobicContact CD2-CD2 3.9Å; Y291-L293 HydrophobicContact CD2-CG 4.36Å; Y291-L293 HydrophobicContact CE2-CD2 3.97Å; Y291-L293 HydrophobicContact CE2-CG 4.2Å; L293-F323 HydrophobicContact CB-CD1 4.26Å; L293-F323 HydrophobicContact CB-CD2 4.27Å; L293-F323 HydrophobicContact CB-CE1 3.63Å; L293-F323 HydrophobicContact CB-CE2 3.64Å; L293-F323 HydrophobicContact CB-CZ 3.29Å; L293-F323 HydrophobicContact CD1-CE2 3.94Å; L293-F323 HydrophobicContact CD1-CZ 4.1Å; L293-F323 HydrophobicContact CG-CE2 4.43Å; L293-F323 HydrophobicContact CG-CZ 4.33Å; L293-F323 WeakPolarHBondContact O-CD1 3.26Å; L293-F323 PolarHBondContact O-N 3.03Å; L293-Y324 HydrophobicContact CD1-CD1 3.96Å; L293-Y324 HydrophobicContact CD1-CG 4.14Å; L293-Y324 HydrophobicContact CG-CD1 3.95Å; L293-Y324 HydrophobicContact CG-CG 4.34Å; L293-Y324 PolarHBondContact N-O 3.44Å; L293-Y324 PolarHBondContact O-N 2.93Å; L293-H336 WeakPolarHBondContact CD2-CD2 3.48Å; L293-H336 WeakPolarHBondContact CD2-NE2 3.49Å; L293-K353 HydrophobicContact CD1-CD 4.07Å; L293-K353 HydrophobicContact CD1-CG 4.09Å; L293-I357 HydrophobicContact CD1-CD1 3.96Å; L293-I357 HydrophobicContact CD1-CG1 4.4Å; L293-V367 HydrophobicContact CB-CG1 4.43Å; L293-V368 WeakPolarHBondContact CA-O 3.44Å
294I98Very high94.7Very high0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-111.9135.5-173.3-72.8167000108.7F292 P296 F318 S321 I322 V368 F370 F432F292-I294 HydrophobicContact CB-CD1 4.32Å; F292-I294 HydrophobicContact CB-CG1 4.15Å; I294-P296 VanDerWaalsContact O-CD 3.26Å; I294-P296 WeakPolarHBondContact O-CD 2.97Å; I294-F318 HydrophobicContact CD1-CD2 4.43Å; I294-F318 HydrophobicContact CD1-CE2 3.77Å; I294-S321 CarbonylContact C-O 3.6Å; I294-S321 WeakPolarHBondContact CA-O 3.14Å; I294-S321 WeakPolarHBondContact CG2-OG 3.41Å; I294-I322 HydrophobicContact CG1-CG1 3.98Å; I294-V368 HydrophobicContact CB-CB 3.79Å; I294-V368 HydrophobicContact CB-CG1 3.98Å; I294-V368 HydrophobicContact CD1-CG1 4.38Å; I294-V368 HydrophobicContact CG2-CB 4.08Å; I294-V368 HydrophobicContact CG2-CG1 4.34Å; I294-V368 HydrophobicContact CG2-CG2 4.44Å; I294-V368 PolarHBondContact N-O 3.04Å; I294-V368 PolarHBondContact O-N 3.32Å; I294-V368 VanDerWaalsContact O-N 3.17Å; I294-F370 HydrophobicContact CD1-CB 3.92Å; I294-F370 HydrophobicContact CD1-CD1 4.04Å; I294-F370 HydrophobicContact CD1-CG 4.4Å; I294-F432 HydrophobicContact CD1-CD2 4.14Å; I294-F432 HydrophobicContact CD1-CE1 4.43Å; I294-F432 HydrophobicContact CD1-CE2 3.79Å; I294-F432 HydrophobicContact CD1-CZ 3.94Å; I294-F432 HydrophobicContact CG2-CZ 4.46Å
295D97.7Very high95.3Very high5 Ų539.1 Ų39.13%0.02720%0.198CC..  trans-83.7109173.6-174.8-21.3000110.4T297 V298 S299 S321 F323 R356 L360D295-T297 VanDerWaalsContact CG-OG1 3.26Å; D295-T297 PolarHBondContact O-N 2.95Å; D295-T297 WeakPolarHBondContact OD1-CA 3.44Å; D295-T297 VanDerWaalsContact OD1-CB 3.3Å; D295-T297 WeakPolarHBondContact OD1-CB 3.47Å; D295-T297 PolarHBondContact OD1-N 2.99Å; D295-T297 PolarHBondContact OD1-OG1 2.81Å; D295-T297 PolarHBondContact OD2-OG1 3.14Å; D295-V298 HydrophobicContact CB-CB 4.35Å; D295-V298 HydrophobicContact CB-CG2 4.14Å; D295-V298 PolarHBondContact O-N 3.46Å; D295-V298 VanDerWaalsContact O-N 3.14Å; D295-S299 PolarHBondContact O-N 3.13Å; D295-S321 PolarHBondContact N-O 2.83Å; D295-F323 HydrophobicContact CB-CD1 4.08Å; D295-R356 IonicContact OD2-CZ 2.64Å; D295-R356 IonicContact OD2-NE 3.03Å; D295-R356 PolarHBondContact OD2-NE 2.81Å; D295-R356 IonicContact OD2-NH2 3.85Å; D295-R356 PolarHBondContact OD2-NH2 3.3Å; D295-L360 HydrophobicContact CB-CD1 4.41Å; D295-L360 WeakPolarHBondContact OD1-CD2 3.43Å
296P97.4Very high95.7Very high8 Ų834.8 Ų34.85%0.05217%0.173CC..Hα-helixtrans-65.4-21.3-179.326.5-34.4000114I294 V298 S299 K300 V365 G366 V368I294-P296 VanDerWaalsContact O-CD 3.26Å; I294-P296 WeakPolarHBondContact O-CD 2.97Å; P296-V298 VanDerWaalsContact C-N 3.27Å; P296-V298 PolarHBondContact O-N 2.59Å; P296-S299 WeakPolarHBondContact CA-OG 3.48Å; P296-K300 WeakPolarHBondContact O-CA 3.48Å; P296-K300 PolarHBondContact O-N 3.28Å; P296-V365 HydrophobicContact CB-CG1 3.78Å; P296-V365 HydrophobicContact CG-CB 4.14Å; P296-V365 HydrophobicContact CG-CG1 3.45Å; P296-V365 VanDerWaalsContact CG-CG1 3.45Å; P296-G366 WeakPolarHBondContact CG-O 3.28Å; P296-V368 HydrophobicContact CB-CG2 4.27Å
297T96.8Very high96Very high63 Ų6334.6 Ų34.639%0.38719%0.186SC..Hα-helixtrans-71.8-25.3176.971.70000112.2D295 K300 L360 V365D295-T297 VanDerWaalsContact CG-OG1 3.26Å; D295-T297 PolarHBondContact O-N 2.95Å; D295-T297 WeakPolarHBondContact OD1-CA 3.44Å; D295-T297 VanDerWaalsContact OD1-CB 3.3Å; D295-T297 WeakPolarHBondContact OD1-CB 3.47Å; D295-T297 PolarHBondContact OD1-N 2.99Å; D295-T297 PolarHBondContact OD1-OG1 2.81Å; D295-T297 PolarHBondContact OD2-OG1 3.14Å; T297-K300 WeakPolarHBondContact O-CG 3.49Å; T297-L360 HydrophobicContact CG2-CD2 4.18Å; T297-V365 HydrophobicContact CG2-CB 4.39Å; T297-V365 HydrophobicContact CG2-CG1 4.29Å; T297-V365 HydrophobicContact CG2-CG2 4.02Å
298V96.9Very high96.1Very high55 Ų5537.3 Ų37.333%0.33321%0.209SC..Hα-helixtrans-92.1-47.9176.3-178.60000110.6D295 P296 K300 D320D295-V298 HydrophobicContact CB-CB 4.35Å; D295-V298 HydrophobicContact CB-CG2 4.14Å; D295-V298 PolarHBondContact O-N 3.46Å; D295-V298 VanDerWaalsContact O-N 3.14Å; P296-V298 VanDerWaalsContact C-N 3.27Å; P296-V298 PolarHBondContact O-N 2.59Å; V298-K300 PolarHBondContact O-N 3.3Å; V298-D320 HydrophobicContact CG1-CB 3.94Å
299S96.5Very high96.2Very high0 Ų038.5 Ų38.50%021%0.214CC..Hα-helixtrans-64.3-30.7-179.871.20000112.1D295 P296 N301 L302 R305 Q437D295-S299 PolarHBondContact O-N 3.13Å; P296-S299 WeakPolarHBondContact CA-OG 3.48Å; S299-N301 VanDerWaalsContact C-N 3.26Å; S299-N301 PolarHBondContact O-N 3.05Å; S299-L302 PolarHBondContact O-N 2.78Å; S299-R305 PolarHBondContact O-NH2 3.23Å; S299-Q437 PolarHBondContact OG-NE2 2.69Å; S299-Q437 PolarHBondContact OG-OE1 2.91Å
300K95.7Very high96.2Very high142 Ų14241 Ų4162%0.61723%0.232SC*.SBendtrans46.949.1-179.5-61.6179.4-179.7179.10112P296 T297 V298 R305P296-K300 WeakPolarHBondContact O-CA 3.48Å; P296-K300 PolarHBondContact O-N 3.28Å; T297-K300 WeakPolarHBondContact O-CG 3.49Å; V298-K300 PolarHBondContact O-N 3.3Å; K300-R305 PolarHBondContact O-NE 3.13Å
301N94.8Very high96Very high48 Ų4845.4 Ų45.426%0.25726%0.263SS..SBendtrans48.663.4-172.2-159.1-1.2000112.4S299 P303 D304 R305 Q437S299-N301 VanDerWaalsContact C-N 3.26Å; S299-N301 PolarHBondContact O-N 3.05Å; N301-P303 VanDerWaalsContact C-N 3.3Å; N301-D304 HydrophobicContact CB-CB 4.44Å; N301-D304 VanDerWaalsContact CG-CG 3.49Å; N301-D304 PolarHBondContact ND2-OD1 3.25Å; N301-D304 PolarHBondContact ND2-OD2 3.15Å; N301-D304 PolarHBondContact O-N 3.39Å; N301-D304 VanDerWaalsContact O-N 3.17Å; N301-R305 PolarHBondContact O-N 3.4Å; N301-Q437 WeakPolarHBondContact OD1-CB 3.33Å
302L96.2Very high95.9Very high0 Ų046.6 Ų46.60%027%0.274CS..Hα-helixtrans-51.2-41.5-178.5175.464.3000113.3S299 D304 R305 A306 M309 T317 F318 F432S299-L302 PolarHBondContact O-N 2.78Å; L302-D304 PolarHBondContact O-N 3.03Å; L302-R305 CarbonylContact O-C 3.57Å; L302-R305 PolarHBondContact O-N 3.33Å; L302-R305 VanDerWaalsContact O-N 3.16Å; L302-A306 WeakPolarHBondContact O-CB 3.22Å; L302-A306 PolarHBondContact O-N 3.27Å; L302-M309 HydrophobicContact CD1-CE 3.81Å; L302-M309 HydrophobicContact CD1-SD 3.68Å; L302-T317 HydrophobicContact CD1-CG2 4.09Å; L302-F318 HydrophobicContact CD2-CB 3.75Å; L302-F318 HydrophobicContact CD2-CD2 4.37Å; L302-F432 HydrophobicContact CB-CE1 4.2Å; L302-F432 HydrophobicContact CD2-CD1 4.34Å; L302-F432 HydrophobicContact CD2-CE1 4.47Å
303P96.4Very high95.8Very high18 Ų1851.3 Ų51.312%0.11730%0.296CS..Hα-helixtrans-54-45.7176.7-29.538.5000114N301 R305 A306 F432 Q437N301-P303 VanDerWaalsContact C-N 3.3Å; P303-R305 VanDerWaalsContact C-N 3.27Å; P303-R305 PolarHBondContact O-N 3.45Å; P303-A306 WeakPolarHBondContact O-CB 3.16Å; P303-A306 PolarHBondContact O-N 2.95Å; P303-F432 HydrophobicContact CG-CD1 4.2Å; P303-F432 HydrophobicContact CG-CE1 4.05Å; P303-F432 HydrophobicContact CG-CZ 4.44Å; P303-F432 WeakPolarHBondContact CG-O 3.31Å; P303-Q437 HydrophobicContact CG-CB 4.17Å
304D95.5Very high95.8Very high118 Ų11853.3 Ų53.363%0.63131%0.305SS*.Hα-helixtrans-63.3-33.2179.6-74.412.7000112.7N301 L302N301-D304 HydrophobicContact CB-CB 4.44Å; N301-D304 VanDerWaalsContact CG-CG 3.49Å; N301-D304 PolarHBondContact ND2-OD1 3.25Å; N301-D304 PolarHBondContact ND2-OD2 3.15Å; N301-D304 PolarHBondContact O-N 3.39Å; N301-D304 VanDerWaalsContact O-N 3.17Å; L302-D304 PolarHBondContact O-N 3.03Å
305R95.7Very high95.8Very high84 Ų8453.6 Ų53.632%0.31731%0.306SS..Hα-helixtrans-96.1-5.6-176.4-58.7-174.1-61.1105.35.1113.4S299 K300 N301 L302 P303 S307 S308 M309S299-R305 PolarHBondContact O-NH2 3.23Å; K300-R305 PolarHBondContact O-NE 3.13Å; N301-R305 PolarHBondContact O-N 3.4Å; L302-R305 CarbonylContact O-C 3.57Å; L302-R305 PolarHBondContact O-N 3.33Å; L302-R305 VanDerWaalsContact O-N 3.16Å; P303-R305 VanDerWaalsContact C-N 3.27Å; P303-R305 PolarHBondContact O-N 3.45Å; R305-S307 PolarHBondContact O-N 3.14Å; R305-S308 PolarHBondContact O-N 2.97Å; R305-S308 PolarHBondContact O-OG 2.96Å; R305-S308 VanDerWaalsContact O-OG 3.09Å; R305-M309 HydrophobicContact CB-SD 4.06Å; R305-M309 PolarHBondContact NH1-SD 2.75Å; R305-M309 WeakPolarHBondContact O-CG 3.41Å
306A95.1Very high95.7Very high5 Ų556.8 Ų56.84%0.04132%0.318CS..G310 helixtrans-61.4-31.8-172.700000112.4L302 P303 S308 M309 K314 I433L302-A306 WeakPolarHBondContact O-CB 3.22Å; L302-A306 PolarHBondContact O-N 3.27Å; P303-A306 WeakPolarHBondContact O-CB 3.16Å; P303-A306 PolarHBondContact O-N 2.95Å; A306-S308 PolarHBondContact O-N 2.87Å; A306-M309 PolarHBondContact O-N 3.26Å; A306-K314 WeakPolarHBondContact O-CE 3.39Å; A306-K314 PolarHBondContact O-NZ 3.07Å; A306-I433 HydrophobicContact CB-CB 4.49Å; A306-I433 HydrophobicContact CB-CD1 3.99Å; A306-I433 HydrophobicContact CB-CG1 4.02Å; A306-I433 HydrophobicContact CB-CG2 3.64Å
307S93.9Very high95.8Very high115 Ų11557.7 Ų57.780%0.80432%0.323SS*.G310 helixtrans-61.9-28.6-179.656.60000113.7R305R305-S307 PolarHBondContact O-N 3.14Å
308S94.7Very high95.8Very high102 Ų10254.7 Ų54.771%0.71331%0.305SS*.G310 helixtrans-99.31.7-178.160.80000114.7R305 A306R305-S308 PolarHBondContact O-N 2.97Å; R305-S308 PolarHBondContact O-OG 2.96Å; R305-S308 VanDerWaalsContact O-OG 3.09Å; A306-S308 PolarHBondContact O-N 2.87Å
309M95.4Very high95.9Very high25 Ų2552.1 Ų52.112%0.12329%0.289CS..SBendtrans-107.6147.3-175.5-66.4173.967.800112.4L302 R305 A306 E313 K314 T317L302-M309 HydrophobicContact CD1-CE 3.81Å; L302-M309 HydrophobicContact CD1-SD 3.68Å; R305-M309 HydrophobicContact CB-SD 4.06Å; R305-M309 PolarHBondContact NH1-SD 2.75Å; R305-M309 WeakPolarHBondContact O-CG 3.41Å; A306-M309 PolarHBondContact O-N 3.26Å; M309-E313 HydrophobicContact CB-CB 4.34Å; M309-E313 HydrophobicContact CE-CB 3.75Å; M309-K314 HydrophobicContact CB-CG 3.86Å; M309-K314 WeakPolarHBondContact O-CE 3.16Å; M309-K314 PolarHBondContact O-NZ 2.99Å; M309-T317 WeakPolarHBondContact CE-OG1 3.32Å
310S95Very high95.9Very high55 Ų5554.4 Ų54.439%0.38530%0.302SS..  trans-67.8160.5169.668.40000112S312 E313 K314S310-S312 PolarHBondContact O-N 3.2Å; S310-E313 VanDerWaalsContact CB-OE2 3.29Å; S310-E313 WeakPolarHBondContact CB-OE2 3.43Å; S310-E313 PolarHBondContact N-OE2 2.95Å; S310-E313 PolarHBondContact O-N 3.48Å; S310-E313 WeakPolarHBondContact OG-CB 3.47Å; S310-E313 VanDerWaalsContact OG-CD 3.28Å; S310-E313 WeakPolarHBondContact OG-CG 3.41Å; S310-E313 PolarHBondContact OG-N 3.38Å; S310-E313 PolarHBondContact OG-OE2 3.31Å; S310-K314 WeakPolarHBondContact O-CD 3.29Å; S310-K314 VanDerWaalsContact O-CG 3.23Å; S310-K314 WeakPolarHBondContact O-CG 3.3Å; S310-K314 PolarHBondContact O-N 2.95Å
311S92.7Very high96.1Very high93 Ų9347.7 Ų47.765%0.6527%0.272SS*.Hα-helixtrans-58.4-36.6175.9-59.30000112.7L315S311-L315 PolarHBondContact O-N 3.46Å; S311-L315 VanDerWaalsContact O-N 3.14Å
312S94.2Very high96.2Very high42 Ų4245.7 Ų45.729%0.29426%0.261SS..Hα-helixtrans-64.1-50.2176.4-175.60000111.5I250 S310 K314 L315 R316I250-S312 WeakPolarHBondContact CG2-OG 3.42Å; I250-S312 WeakPolarHBondContact O-CA 3.5Å; I250-S312 WeakPolarHBondContact O-CB 3.31Å; I250-S312 PolarHBondContact O-OG 3.07Å; S310-S312 PolarHBondContact O-N 3.2Å; S312-K314 VanDerWaalsContact C-N 3.34Å; S312-K314 PolarHBondContact O-N 3.39Å; S312-L315 PolarHBondContact O-N 2.99Å; S312-R316 WeakPolarHBondContact O-CB 3.4Å; S312-R316 PolarHBondContact O-N 3.09Å
313E96Very high96.3Very high99 Ų9946.4 Ų46.446%0.46327%0.265SS..Hα-helixtrans-64.2-39-179.8-70.8165.912800112.1M309 S310 T317M309-E313 HydrophobicContact CB-CB 4.34Å; M309-E313 HydrophobicContact CE-CB 3.75Å; S310-E313 VanDerWaalsContact CB-OE2 3.29Å; S310-E313 WeakPolarHBondContact CB-OE2 3.43Å; S310-E313 PolarHBondContact N-OE2 2.95Å; S310-E313 PolarHBondContact O-N 3.48Å; S310-E313 WeakPolarHBondContact OG-CB 3.47Å; S310-E313 VanDerWaalsContact OG-CD 3.28Å; S310-E313 WeakPolarHBondContact OG-CG 3.41Å; S310-E313 PolarHBondContact OG-N 3.38Å; S310-E313 PolarHBondContact OG-OE2 3.31Å; E313-T317 VanDerWaalsContact O-CB 3.22Å; E313-T317 WeakPolarHBondContact O-CB 3.29Å; E313-T317 PolarHBondContact O-N 3Å; E313-T317 PolarHBondContact O-OG1 3.42Å
314K97.4Very high96.4Very high43 Ų4347.1 Ų47.119%0.18727%0.265CS..Hα-helixtrans-58.9-51.3175.4-71.4161.9175.2157.20110.9A306 M309 S310 S312 T317 F318 M429 I433A306-K314 WeakPolarHBondContact O-CE 3.39Å; A306-K314 PolarHBondContact O-NZ 3.07Å; M309-K314 HydrophobicContact CB-CG 3.86Å; M309-K314 WeakPolarHBondContact O-CE 3.16Å; M309-K314 PolarHBondContact O-NZ 2.99Å; S310-K314 WeakPolarHBondContact O-CD 3.29Å; S310-K314 VanDerWaalsContact O-CG 3.23Å; S310-K314 WeakPolarHBondContact O-CG 3.3Å; S310-K314 PolarHBondContact O-N 2.95Å; S312-K314 VanDerWaalsContact C-N 3.34Å; S312-K314 PolarHBondContact O-N 3.39Å; K314-T317 PolarHBondContact O-N 3.41Å; K314-F318 WeakPolarHBondContact O-CB 3.41Å; K314-F318 PolarHBondContact O-N 2.98Å; K314-M429 HydrophobicContact CB-CE 4.35Å; K314-M429 HydrophobicContact CB-SD 3.52Å; K314-M429 VanDerWaalsContact CB-SD 3.52Å; K314-I433 HydrophobicContact CB-CD1 4.48Å; K314-I433 HydrophobicContact CD-CD1 4.25Å; K314-I433 HydrophobicContact CG-CD1 4.39Å
315L97.3Very high96.5Very high5 Ų541.6 Ų41.63%0.02624%0.236CC..Hα-helixtrans-67.5-44.1-176.3-175.457.8000111.1L246 L249 I250 S311 S312 F318 C319 L425 Q426 M429L246-L315 HydrophobicContact CD1-CD2 4.42Å; L249-L315 HydrophobicContact CD2-CD2 4.07Å; L249-L315 HydrophobicContact CG-CD2 4.01Å; I250-L315 HydrophobicContact CG1-CB 4.31Å; I250-L315 HydrophobicContact CG1-CD2 3.77Å; I250-L315 HydrophobicContact CG1-CG 3.83Å; S311-L315 PolarHBondContact O-N 3.46Å; S311-L315 VanDerWaalsContact O-N 3.14Å; S312-L315 PolarHBondContact O-N 2.99Å; L315-F318 PolarHBondContact O-N 3.39Å; L315-C319 WeakPolarHBondContact O-CB 3.39Å; L315-C319 PolarHBondContact O-N 3.22Å; L315-C319 PolarHBondContact O-SG 3.31Å; L315-L425 HydrophobicContact CD1-CB 4.42Å; L315-Q426 HydrophobicContact CD1-CB 4.45Å; L315-M429 WeakPolarHBondContact CA-SD 3.49Å; L315-M429 HydrophobicContact CB-SD 3.82Å; L315-M429 HydrophobicContact CD1-CB 4.39Å; L315-M429 HydrophobicContact CD1-SD 4.12Å; L315-M429 PolarHBondContact N-SD 3.39Å
316R97.3Very high96.5Very high72 Ų7237.6 Ų37.627%0.27222%0.221SC..Hα-helixtrans-59.3-50.2176-173.8169.4-67.2-74.51.4111.4E247 I250 S312 F318 C319 D320E247-R316 IonicContact OE1-NH1 2.73Å; E247-R316 IonicContact OE2-CZ 3.1Å; E247-R316 IonicContact OE2-NH1 3.49Å; E247-R316 PolarHBondContact OE2-NH1 3.46Å; E247-R316 VanDerWaalsContact OE2-NH1 3.11Å; E247-R316 IonicContact OE2-NH2 3.26Å; E247-R316 PolarHBondContact OE2-NH2 3.15Å; I250-R316 HydrophobicContact CD1-CB 4.5Å; I250-R316 HydrophobicContact CG2-CB 4Å; S312-R316 WeakPolarHBondContact O-CB 3.4Å; S312-R316 PolarHBondContact O-N 3.09Å; R316-F318 VanDerWaalsContact C-N 3.33Å; R316-F318 PolarHBondContact O-N 3.48Å; R316-C319 PolarHBondContact O-N 3.42Å; R316-D320 WeakPolarHBondContact CG-OD2 3.49Å; R316-D320 VanDerWaalsContact O-CB 3.29Å; R316-D320 WeakPolarHBondContact O-CB 3.35Å; R316-D320 VanDerWaalsContact O-CG 3.26Å; R316-D320 PolarHBondContact O-N 2.93Å
317T97.5Very high96.4Very high27 Ų2740.3 Ų40.317%0.16623%0.232CC..Hα-helixtrans-60.8-42179.2-56.90000111.7L302 M309 E313 K314 S321L302-T317 HydrophobicContact CD1-CG2 4.09Å; M309-T317 WeakPolarHBondContact CE-OG1 3.32Å; E313-T317 VanDerWaalsContact O-CB 3.22Å; E313-T317 WeakPolarHBondContact O-CB 3.29Å; E313-T317 PolarHBondContact O-N 3Å; E313-T317 PolarHBondContact O-OG1 3.42Å; K314-T317 PolarHBondContact O-N 3.41Å; T317-S321 WeakPolarHBondContact O-CB 3.18Å; T317-S321 PolarHBondContact O-N 3.39Å; T317-S321 VanDerWaalsContact O-N 3.11Å; T317-S321 PolarHBondContact O-OG 3.32Å
318F98.2Very high96.4Very high0 Ų035.3 Ų35.30%020%0.198CC..Hα-helixtrans-61.7-53.6176.7-179.6-110.7000111.1F292 I294 L302 K314 L315 R316 D320 S321 I322 F370 L425 A428 M429 F432F292-F318 HydrophobicContact CD2-CZ 4.21Å; F292-F318 HydrophobicContact CE2-CZ 4.37Å; I294-F318 HydrophobicContact CD1-CD2 4.43Å; I294-F318 HydrophobicContact CD1-CE2 3.77Å; L302-F318 HydrophobicContact CD2-CB 3.75Å; L302-F318 HydrophobicContact CD2-CD2 4.37Å; K314-F318 WeakPolarHBondContact O-CB 3.41Å; K314-F318 PolarHBondContact O-N 2.98Å; L315-F318 PolarHBondContact O-N 3.39Å; R316-F318 VanDerWaalsContact C-N 3.33Å; R316-F318 PolarHBondContact O-N 3.48Å; F318-D320 VanDerWaalsContact C-N 3.34Å; F318-D320 PolarHBondContact O-N 2.99Å; F318-S321 PolarHBondContact O-N 3.2Å; F318-S321 VanDerWaalsContact O-N 3.14Å; F318-S321 PolarHBondContact O-OG 3.34Å; F318-I322 HydrophobicContact CD1-CD1 4.1Å; F318-I322 HydrophobicContact CE1-CD1 3.73Å; F318-I322 HydrophobicContact CZ-CD1 3.99Å; F318-I322 WeakPolarHBondContact O-CG1 3.45Å; F318-I322 PolarHBondContact O-N 3.32Å; F318-F370 HydrophobicContact CE2-CD1 4.21Å; F318-F370 HydrophobicContact CE2-CE1 4.23Å; F318-F370 HydrophobicContact CZ-CD1 4.19Å; F318-F370 AromaticContact CZ-CE1 3.99Å; F318-F370 HydrophobicContact CZ-CE1 3.99Å; F318-L425 HydrophobicContact CE1-CD2 4.19Å; F318-A428 HydrophobicContact CE1-CB 3.96Å; F318-A428 HydrophobicContact CZ-CB 4.02Å; F318-M429 HydrophobicContact CB-CB 4.21Å; F318-M429 HydrophobicContact CB-CG 3.84Å; F318-M429 HydrophobicContact CD1-CB 3.59Å; F318-M429 HydrophobicContact CD1-CG 4.2Å; F318-M429 HydrophobicContact CD2-CB 4.43Å; F318-M429 HydrophobicContact CE1-CB 3.99Å; F318-M429 HydrophobicContact CG-CB 3.82Å; F318-M429 HydrophobicContact CG-CG 3.95Å; F318-F432 HydrophobicContact CD2-CB 4.26Å; F318-F432 AromaticContact CD2-CD1 3.64Å; F318-F432 HydrophobicContact CD2-CD1 3.64Å; F318-F432 HydrophobicContact CD2-CE1 4.22Å; F318-F432 HydrophobicContact CD2-CG 4.08Å; F318-F432 HydrophobicContact CE2-CB 3.69Å; F318-F432 AromaticContact CE2-CD1 3.71Å; F318-F432 HydrophobicContact CE2-CD1 3.71Å; F318-F432 HydrophobicContact CE2-CD2 4.32Å; F318-F432 HydrophobicContact CE2-CE1 4.4Å; F318-F432 AromaticContact CE2-CG 3.64Å; F318-F432 HydrophobicContact CE2-CG 3.64Å; F318-F432 HydrophobicContact CZ-CB 4.37Å
319C98.1Very high96.2Very high2 Ų235.7 Ų35.71%0.01419%0.187CC..Hα-helixtrans-60.6-40.9179-67.20000112.5F242 L315 R316 S321 I322F242-C319 HydrophobicContact CE1-CB 3.96Å; F242-C319 HydrophobicContact CE2-CB 3.91Å; F242-C319 HydrophobicContact CZ-CB 3.49Å; F242-C319 VanDerWaalsContact CZ-CB 3.49Å; L315-C319 WeakPolarHBondContact O-CB 3.39Å; L315-C319 PolarHBondContact O-N 3.22Å; L315-C319 PolarHBondContact O-SG 3.31Å; R316-C319 PolarHBondContact O-N 3.42Å; C319-S321 PolarHBondContact O-N 3.4Å; C319-I322 PolarHBondContact O-N 2.81Å
320D97.7Very high95.8Very high48 Ų4842.8 Ų42.826%0.25721%0.212SC..Hα-helixtrans-63.1-30.9177.5-79.1-29.9000112.9K241 F242 V298 R316 F318K241-D320 WeakPolarHBondContact CD-OD1 3.21Å; K241-D320 WeakPolarHBondContact CE-OD1 3.38Å; K241-D320 IonicContact NZ-OD1 3.83Å; K241-D320 PolarHBondContact NZ-OD1 2.87Å; F242-D320 VanDerWaalsContact CZ-OD1 3.27Å; F242-D320 WeakPolarHBondContact CZ-OD1 3.4Å; V298-D320 HydrophobicContact CG1-CB 3.94Å; R316-D320 WeakPolarHBondContact CG-OD2 3.49Å; R316-D320 VanDerWaalsContact O-CB 3.29Å; R316-D320 WeakPolarHBondContact O-CB 3.35Å; R316-D320 VanDerWaalsContact O-CG 3.26Å; R316-D320 PolarHBondContact O-N 2.93Å; F318-D320 VanDerWaalsContact C-N 3.34Å; F318-D320 PolarHBondContact O-N 2.99Å
321S98Very high95.3Very high1 Ų143.8 Ų43.81%0.00723%0.231CC..Hα-helixtrans-80.5-17.7-179750000114I294 D295 T317 F318 C319 F323I294-S321 CarbonylContact C-O 3.6Å; I294-S321 WeakPolarHBondContact CA-O 3.14Å; I294-S321 WeakPolarHBondContact CG2-OG 3.41Å; D295-S321 PolarHBondContact N-O 2.83Å; T317-S321 WeakPolarHBondContact O-CB 3.18Å; T317-S321 PolarHBondContact O-N 3.39Å; T317-S321 VanDerWaalsContact O-N 3.11Å; T317-S321 PolarHBondContact O-OG 3.32Å; F318-S321 PolarHBondContact O-N 3.2Å; F318-S321 VanDerWaalsContact O-N 3.14Å; F318-S321 PolarHBondContact O-OG 3.34Å; C319-S321 PolarHBondContact O-N 3.4Å; S321-F323 PolarHBondContact O-N 3.39Å
322I98.4Very high95.1Very high5 Ų547.6 Ų47.63%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-78.1120179.8-63.3167.3000109.2F292 I294 F318 C319 V325 I392 L397 L425F292-I322 HydrophobicContact CB-CG1 4.3Å; F292-I322 HydrophobicContact CB-CG2 4.36Å; F292-I322 HydrophobicContact CD1-CD1 4.3Å; F292-I322 HydrophobicContact CD1-CG2 4.3Å; F292-I322 HydrophobicContact CG-CD1 4.23Å; I294-I322 HydrophobicContact CG1-CG1 3.98Å; F318-I322 HydrophobicContact CD1-CD1 4.1Å; F318-I322 HydrophobicContact CE1-CD1 3.73Å; F318-I322 HydrophobicContact CZ-CD1 3.99Å; F318-I322 WeakPolarHBondContact O-CG1 3.45Å; F318-I322 PolarHBondContact O-N 3.32Å; C319-I322 PolarHBondContact O-N 2.81Å; I322-V325 HydrophobicContact CG2-CG2 3.92Å; I322-I392 HydrophobicContact CB-CD1 4.17Å; I322-I392 HydrophobicContact CD1-CD1 4.1Å; I322-I392 HydrophobicContact CG2-CD1 3.96Å; I322-L397 HydrophobicContact CG2-CD2 3.92Å; I322-L425 HydrophobicContact CD1-CD2 3.76Å
323F97.7Very high94.7Very high16 Ų1648.1 Ų48.17%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-111.1-8.6174.670.1-94.3000113.2L293 D295 S321 R356 I357 L360 V367 T398L293-F323 HydrophobicContact CB-CD1 4.26Å; L293-F323 HydrophobicContact CB-CD2 4.27Å; L293-F323 HydrophobicContact CB-CE1 3.63Å; L293-F323 HydrophobicContact CB-CE2 3.64Å; L293-F323 HydrophobicContact CB-CZ 3.29Å; L293-F323 HydrophobicContact CD1-CE2 3.94Å; L293-F323 HydrophobicContact CD1-CZ 4.1Å; L293-F323 HydrophobicContact CG-CE2 4.43Å; L293-F323 HydrophobicContact CG-CZ 4.33Å; L293-F323 WeakPolarHBondContact O-CD1 3.26Å; L293-F323 PolarHBondContact O-N 3.03Å; D295-F323 HydrophobicContact CB-CD1 4.08Å; S321-F323 PolarHBondContact O-N 3.39Å; F323-R356 HydrophobicContact CB-CG 4.5Å; F323-R356 HydrophobicContact CD1-CG 4.32Å; F323-R356 HydrophobicContact CD2-CB 4.08Å; F323-R356 HydrophobicContact CD2-CG 3.67Å; F323-R356 HydrophobicContact CE1-CG 4.44Å; F323-R356 HydrophobicContact CE2-CB 4.07Å; F323-R356 HydrophobicContact CE2-CG 3.83Å; F323-R356 HydrophobicContact CG-CG 3.92Å; F323-R356 HydrophobicContact CZ-CG 4.2Å; F323-I357 HydrophobicContact CE2-CG1 4.25Å; F323-I357 HydrophobicContact CZ-CG1 4.21Å; F323-L360 HydrophobicContact CE1-CD1 3.82Å; F323-L360 HydrophobicContact CZ-CD1 4.17Å; F323-V367 HydrophobicContact CE1-CG1 4.13Å; F323-V367 HydrophobicContact CZ-CG1 3.85Å; F323-T398 HydrophobicContact CB-CG2 4.49Å; F323-T398 HydrophobicContact CD2-CG2 4.09Å; F323-T398 WeakPolarHBondContact O-CB 3.39Å; F323-T398 WeakPolarHBondContact O-CG2 3.38Å; F323-T398 PolarHBondContact O-N 3.45Å; F323-T398 PolarHBondContact O-OG1 3.19Å
324Y97.9Very high94.4Very high33 Ų3344.9 Ų44.913%0.12922%0.219CC..EExtended strand (participates in β ladder)trans-153140.3174.4-176.1-94.6000111.2Y291 F292 L293 K353 N399Y291-Y324 AromaticContact CE2-CD1 3.81Å; Y291-Y324 HydrophobicContact CE2-CD1 3.81Å; Y291-Y324 AromaticContact CE2-CE1 3.67Å; Y291-Y324 HydrophobicContact CE2-CE1 3.67Å; Y291-Y324 AromaticContact CZ-CE1 3.8Å; Y291-Y324 WeakPolarHBondContact OH-CE1 3.35Å; F292-Y324 WeakPolarHBondContact CA-O 3.45Å; L293-Y324 HydrophobicContact CD1-CD1 3.96Å; L293-Y324 HydrophobicContact CD1-CG 4.14Å; L293-Y324 HydrophobicContact CG-CD1 3.95Å; L293-Y324 HydrophobicContact CG-CG 4.34Å; L293-Y324 PolarHBondContact N-O 3.44Å; L293-Y324 PolarHBondContact O-N 2.93Å; Y324-K353 HydrophobicContact CD1-CD 4.08Å; Y324-K353 HydrophobicContact CD2-CB 4.3Å; Y324-K353 HydrophobicContact CD2-CD 3.58Å; Y324-K353 HydrophobicContact CD2-CG 4.06Å; Y324-K353 HydrophobicContact CE1-CD 4.08Å; Y324-K353 HydrophobicContact CE2-CD 3.57Å; Y324-K353 HydrophobicContact CE2-CG 4.46Å; Y324-K353 HydrophobicContact CG-CD 3.82Å; Y324-K353 HydrophobicContact CG-CG 4.27Å; Y324-N399 WeakPolarHBondContact CD2-OD1 3.42Å
325V97.9Very high94.1Very high1 Ų145.6 Ų45.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-118.9135.2173.5-175.80000108.2F292 I322 E385 V388 I389 I392 L397 N399F292-V325 HydrophobicContact CD1-CB 4.3Å; F292-V325 HydrophobicContact CD1-CG1 4Å; F292-V325 HydrophobicContact CD1-CG2 3.96Å; F292-V325 HydrophobicContact CE1-CB 4.47Å; F292-V325 HydrophobicContact CE1-CG1 3.75Å; F292-V325 HydrophobicContact CE1-CG2 4.17Å; I322-V325 HydrophobicContact CG2-CG2 3.92Å; V325-E385 HydrophobicContact CG1-CG 4.2Å; V325-V388 HydrophobicContact CG1-CB 4.21Å; V325-V388 HydrophobicContact CG1-CG1 4.12Å; V325-V388 HydrophobicContact CG2-CG1 3.91Å; V325-I389 HydrophobicContact CB-CG1 3.9Å; V325-I389 HydrophobicContact CG1-CG1 4.23Å; V325-I389 HydrophobicContact CG2-CG1 4.35Å; V325-I392 HydrophobicContact CG2-CD1 4.24Å; V325-L397 HydrophobicContact CG2-CD1 3.92Å; V325-L397 HydrophobicContact CG2-CD2 4.1Å; V325-N399 PolarHBondContact N-OD1 3.22Å; V325-N399 PolarHBondContact O-ND2 3.35Å
326G96Very high93.6Very high0 Ų045.8 Ų45.80%022%0.224CC..EExtended strand (participates in β ladder)trans-154.2172.5177.800000114.2C290 Y291C290-G326 CarbonylContact C-O 3.57Å; C290-G326 WeakPolarHBondContact CA-O 3.33Å; Y291-G326 WeakPolarHBondContact CD1-O 3.44Å; Y291-G326 PolarHBondContact N-O 3.21Å; Y291-G326 PolarHBondContact O-N 2.88Å
327K94Very high93.4Very high63 Ų6342.3 Ų42.327%0.27421%0.211SC..EExtended strand (participates in β ladder)trans-108.1139.7167.774.5-169.9-172.2106.80111.2F289 Y291 A381 F382 E385F289-K327 CarbonylContact O-C 3.58Å; F289-K327 VanDerWaalsContact O-CA 3.29Å; F289-K327 WeakPolarHBondContact O-CA 3.47Å; Y291-K327 WeakPolarHBondContact CE1-O 3.37Å; K327-A381 HydrophobicContact CB-CB 4.13Å; K327-F382 HydrophobicContact CD-CD1 3.62Å; K327-F382 HydrophobicContact CD-CD2 4.13Å; K327-F382 HydrophobicContact CD-CE1 3.61Å; K327-F382 HydrophobicContact CD-CE2 4.08Å; K327-F382 HydrophobicContact CD-CG 3.91Å; K327-F382 HydrophobicContact CD-CZ 3.85Å; K327-F382 VanDerWaalsContact NZ-CE2 3.33Å; K327-E385 WeakPolarHBondContact CB-OE2 3.25Å; K327-E385 WeakPolarHBondContact CD-OE2 3.41Å; K327-E385 WeakPolarHBondContact CG-OE2 3.14Å
328G92.3Very high93.1Very high10 Ų1041.9 Ų41.910%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-115.4166.6176.300000112C288 F289C288-G328 VanDerWaalsContact CA-O 3.3Å; C288-G328 WeakPolarHBondContact CA-O 3.34Å; F289-G328 PolarHBondContact N-O 3.47Å; F289-G328 VanDerWaalsContact N-O 3.11Å; F289-G328 PolarHBondContact O-N 2.98Å
329K91.7Very high92.8Very high109 Ų10944.6 Ų44.647%0.47422%0.222SC..EExtended strand (participates in β ladder)trans-111.8140.1165.4-71.1-165.7172.4-155.60108.9D287 F289 G331 R332D287-K329 CarbonylContact O-C 3.58Å; D287-K329 WeakPolarHBondContact O-CA 3.3Å; F289-K329 WeakPolarHBondContact CE1-O 3.21Å; K329-G331 PolarHBondContact O-N 3.14Å; K329-R332 CarbonylContact O-C 3.52Å; K329-R332 PolarHBondContact O-N 3.06Å
330R85.6Confident92.5Very high175 Ų17544.6 Ų44.666%0.6622%0.222SC*.THydrogen-bonded Turntrans-54.2-32.7-172.8-168.3171.9-177.9168.10.3114D287 R332D287-R330 PolarHBondContact O-N 2.87Å; R330-R332 VanDerWaalsContact C-N 3.26Å; R330-R332 PolarHBondContact O-N 3.26Å
331G86.4Confident92.2Very high75 Ų7542.3 Ų42.377%0.77321%0.209SC*.THydrogen-bonded Turntrans-74.3-6.9177.600000115.6K329K329-G331 PolarHBondContact O-N 3.14Å
332R86.9Confident91.9Very high174 Ų17447 Ų4766%0.65723%0.23SC*.  trans-143.759.8-176.8-57.5-174.9-172.3171.11.5112.1K329 R330 L334 Q335K329-R332 CarbonylContact O-C 3.52Å; K329-R332 PolarHBondContact O-N 3.06Å; R330-R332 VanDerWaalsContact C-N 3.26Å; R330-R332 PolarHBondContact O-N 3.26Å; R332-L334 PolarHBondContact O-N 3.34Å; R332-Q335 HydrophobicContact CB-CB 4.02Å; R332-Q335 HydrophobicContact CB-CG 4.5Å; R332-Q335 PolarHBondContact O-N 2.93Å
333P85.5Confident91.5Very high52 Ų5249.1 Ų49.134%0.33824%0.24SC..THydrogen-bonded Turntrans-66-42.1-168.624-32.1000113.8F289 H336F289-P333 HydrophobicContact CZ-CB 4.24Å; P333-H336 PolarHBondContact O-CE1 3.38Å
334L90.7Very high91.1Very high31 Ų3151.6 Ų51.616%0.16225%0.248CC..THydrogen-bonded Turntrans-99.317.4-177.3-57.5179.2000113.3R332 H336 L337 I338 F440R332-L334 PolarHBondContact O-N 3.34Å; L334-H336 PolarHBondContact O-N 3.32Å; L334-H336 VanDerWaalsContact O-N 3.12Å; L334-L337 HydrophobicContact CD2-CD1 4.33Å; L334-L337 PolarHBondContact O-N 2.97Å; L334-I338 WeakPolarHBondContact O-CG1 3.36Å; L334-I338 PolarHBondContact O-N 2.88Å; L334-F440 HydrophobicContact CD1-CD1 4.13Å; L334-F440 HydrophobicContact CD1-CE1 3.72Å; L334-F440 HydrophobicContact CD1-CZ 4.27Å; L334-F440 HydrophobicContact CD2-CE1 4.2Å; L334-F440 HydrophobicContact CD2-CE2 4.23Å; L334-F440 HydrophobicContact CD2-CZ 3.99Å
335Q90.5Very high90.6Very high58 Ų5857.2 Ų57.227%0.27127%0.27SS..Hα-helixtrans-54.8-38.1-173.3-16962.359.400112.8R332 L337 I338 D339R332-Q335 HydrophobicContact CB-CB 4.02Å; R332-Q335 HydrophobicContact CB-CG 4.5Å; R332-Q335 PolarHBondContact O-N 2.93Å; Q335-L337 VanDerWaalsContact C-N 3.33Å; Q335-L337 PolarHBondContact O-N 3.15Å; Q335-I338 PolarHBondContact O-N 2.83Å; Q335-D339 PolarHBondContact NE2-OD1 3.17Å; Q335-D339 VanDerWaalsContact O-CB 3.29Å; Q335-D339 WeakPolarHBondContact O-CB 3.45Å; Q335-D339 PolarHBondContact O-N 3.31Å
336H87.6Confident90.2Very high9 Ų964.4 Ų64.44%0.04230%0.301CS..Hα-helixtrans-65.8-33.8-179.756.2-88.2000112.5Y291 L293 P333 L334 A340 S369Y291-H336 AromaticContact CE2-CE1 3.92Å; Y291-H336 AromaticContact CE2-CG 4Å; Y291-H336 AromaticContact CE2-ND1 3.7Å; Y291-H336 AromaticContact CZ-ND1 3.78Å; L293-H336 WeakPolarHBondContact CD2-CD2 3.48Å; L293-H336 WeakPolarHBondContact CD2-NE2 3.49Å; P333-H336 PolarHBondContact O-CE1 3.38Å; L334-H336 PolarHBondContact O-N 3.32Å; L334-H336 VanDerWaalsContact O-N 3.12Å; H336-A340 WeakPolarHBondContact O-CB 3.31Å; H336-A340 PolarHBondContact O-N 3.36Å; H336-A340 VanDerWaalsContact O-N 3.14Å; H336-S369 PolarHBondContact CE1-OG 3.21Å; H336-S369 VanDerWaalsContact CE1-OG 3.27Å; H336-S369 PolarHBondContact NE2-OG 3.21Å
337L92.3Very high89.7Confident0 Ų067.6 Ų67.60%033%0.334CS..Hα-helixtrans-76.7-41.5173.1-59.9-178.2000111.2L334 Q335 D339 A340 S341 I357 W361 V367 F440 V445L334-L337 HydrophobicContact CD2-CD1 4.33Å; L334-L337 PolarHBondContact O-N 2.97Å; Q335-L337 VanDerWaalsContact C-N 3.33Å; Q335-L337 PolarHBondContact O-N 3.15Å; L337-D339 VanDerWaalsContact C-N 3.29Å; L337-D339 PolarHBondContact O-N 2.89Å; L337-A340 WeakPolarHBondContact O-CB 3.31Å; L337-A340 PolarHBondContact O-N 3.47Å; L337-A340 VanDerWaalsContact O-N 3.17Å; L337-S341 PolarHBondContact O-N 3.28Å; L337-I357 HydrophobicContact CD2-CD1 4.16Å; L337-I357 HydrophobicContact CD2-CG1 4.42Å; L337-I357 HydrophobicContact CD2-CG2 4.2Å; L337-W361 HydrophobicContact CB-CZ2 4.27Å; L337-W361 HydrophobicContact CD2-CZ2 4.28Å; L337-W361 WeakPolarHBondContact O-CH2 3.44Å; L337-V367 HydrophobicContact CD2-CB 4.29Å; L337-V367 HydrophobicContact CD2-CG1 4.2Å; L337-F440 HydrophobicContact CD1-CB 3.6Å; L337-F440 HydrophobicContact CD1-CD2 4.17Å; L337-F440 HydrophobicContact CD1-CG 3.9Å; L337-V445 HydrophobicContact CB-CB 4.35Å; L337-V445 HydrophobicContact CB-CG1 3.78Å; L337-V445 HydrophobicContact CB-CG2 4.36Å; L337-V445 HydrophobicContact CD1-CG1 4.01Å
338I92.5Very high89.1Confident18 Ų1870.7 Ų70.79%0.09235%0.349CS..Hα-helixtrans-58.7-44.6176-65.1168.7000110.2L334 Q335 S341 K342 V445 V448L334-I338 WeakPolarHBondContact O-CG1 3.36Å; L334-I338 PolarHBondContact O-N 2.88Å; Q335-I338 PolarHBondContact O-N 2.83Å; I338-S341 PolarHBondContact O-N 3.49Å; I338-K342 HydrophobicContact CG2-CD 4.17Å; I338-K342 WeakPolarHBondContact O-CG 3.26Å; I338-K342 PolarHBondContact O-N 3.35Å; I338-V445 HydrophobicContact CG1-CB 4.21Å; I338-V448 HydrophobicContact CD1-CB 4.37Å; I338-V448 HydrophobicContact CD1-CG1 4.35Å
339D90.9Very high88.6Confident57 Ų5772.7 Ų72.731%0.30536%0.357SS..Hα-helixtrans-65.5-39.8177.2-68.2-15.5000111.5Q335 L337 K342 Q343 M354Q335-D339 PolarHBondContact NE2-OD1 3.17Å; Q335-D339 VanDerWaalsContact O-CB 3.29Å; Q335-D339 WeakPolarHBondContact O-CB 3.45Å; Q335-D339 PolarHBondContact O-N 3.31Å; L337-D339 VanDerWaalsContact C-N 3.29Å; L337-D339 PolarHBondContact O-N 2.89Å; D339-K342 PolarHBondContact O-N 3.47Å; D339-Q343 WeakPolarHBondContact O-CB 3.19Å; D339-Q343 WeakPolarHBondContact O-CG 3.46Å; D339-Q343 PolarHBondContact O-N 3.02Å; D339-M354 HydrophobicContact CB-CE 4.08Å
340A91.9Very high88Confident1 Ų171.8 Ų71.81%0.00837%0.365CS..Hα-helixtrans-60-46174.500000111.7H336 L337 K342 Q343 R344 M354 I357 W361H336-A340 WeakPolarHBondContact O-CB 3.31Å; H336-A340 PolarHBondContact O-N 3.36Å; H336-A340 VanDerWaalsContact O-N 3.14Å; L337-A340 WeakPolarHBondContact O-CB 3.31Å; L337-A340 PolarHBondContact O-N 3.47Å; L337-A340 VanDerWaalsContact O-N 3.17Å; A340-K342 PolarHBondContact O-N 3.45Å; A340-Q343 PolarHBondContact O-N 3.42Å; A340-R344 VanDerWaalsContact O-CB 3.28Å; A340-R344 WeakPolarHBondContact O-CB 3.38Å; A340-R344 PolarHBondContact O-N 3.31Å; A340-M354 HydrophobicContact CB-SD 3.58Å; A340-M354 VanDerWaalsContact CB-SD 3.58Å; A340-I357 HydrophobicContact CB-CB 4.27Å; A340-I357 HydrophobicContact CB-CD1 3.95Å; A340-I357 HydrophobicContact CB-CG2 3.75Å; A340-W361 HydrophobicContact CB-CH2 3.96Å; A340-W361 HydrophobicContact CB-CZ3 4.06Å
341S92.3Very high88.1Confident0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-61.5-43.8175.5172.20000111.9L337 I338 R344 R345 V446L337-S341 PolarHBondContact O-N 3.28Å; I338-S341 PolarHBondContact O-N 3.49Å; S341-R344 PolarHBondContact O-N 2.94Å; S341-R345 WeakPolarHBondContact O-CG 3.29Å; S341-R345 PolarHBondContact O-N 3.14Å; S341-R345 PolarHBondContact O-NE 3.16Å; S341-R345 PolarHBondContact OG-NH2 3.46Å; S341-V446 VanDerWaalsContact OG-CG2 3.29Å; S341-V446 WeakPolarHBondContact OG-CG2 3.18Å
342K91.4Very high88.3Confident100 Ų10065.1 Ų65.144%0.43533%0.327SS..Hα-helixtrans-63.7-43.7177.6-73.8173.8-177.7173.30112.1I338 D339 A340 K346I338-K342 HydrophobicContact CG2-CD 4.17Å; I338-K342 WeakPolarHBondContact O-CG 3.26Å; I338-K342 PolarHBondContact O-N 3.35Å; D339-K342 PolarHBondContact O-N 3.47Å; A340-K342 PolarHBondContact O-N 3.45Å; K342-K346 WeakPolarHBondContact O-CG 3.32Å; K342-K346 PolarHBondContact O-N 2.89Å
343Q90.5Very high88.7Confident50 Ų5058 Ų5823%0.23430%0.301CS..Hα-helixtrans-68.6-38.7178.4-73-174.626.500112.2D339 A340 K346 G347 Q348D339-Q343 WeakPolarHBondContact O-CB 3.19Å; D339-Q343 WeakPolarHBondContact O-CG 3.46Å; D339-Q343 PolarHBondContact O-N 3.02Å; A340-Q343 PolarHBondContact O-N 3.42Å; Q343-K346 CarbonylContact O-C 3.59Å; Q343-K346 PolarHBondContact O-N 3.42Å; Q343-G347 PolarHBondContact O-N 2.94Å; Q343-G347 VanDerWaalsContact O-N 3.13Å; Q343-Q348 PolarHBondContact O-N 3.08Å; Q343-Q348 PolarHBondContact OE1-O 3.38Å
344R88.7Confident89.1Confident67 Ų6755.7 Ų55.725%0.25329%0.286SS..Hα-helixtrans-61.3-46.5175.1-177164.3173.3-121.40.4111.7A340 S341 K346 G347 L349 N362 E442A340-R344 VanDerWaalsContact O-CB 3.28Å; A340-R344 WeakPolarHBondContact O-CB 3.38Å; A340-R344 PolarHBondContact O-N 3.31Å; S341-R344 PolarHBondContact O-N 2.94Å; R344-K346 PolarHBondContact O-N 2.84Å; R344-G347 PolarHBondContact O-N 3.33Å; R344-L349 HydrophobicContact CB-CD1 4.28Å; R344-L349 HydrophobicContact CB-CD2 4.2Å; R344-L349 HydrophobicContact CB-CG 4.4Å; R344-L349 HydrophobicContact CG-CD1 4.14Å; R344-N362 PolarHBondContact NH2-OD1 3.04Å; R344-E442 IonicContact CZ-OE1 2.81Å; R344-E442 IonicContact CZ-OE2 2.6Å; R344-E442 IonicContact NH1-OE1 2.63Å; R344-E442 PolarHBondContact NH1-OE1 3.1Å; R344-E442 IonicContact NH1-OE2 3.18Å; R344-E442 PolarHBondContact NH1-OE2 3.38Å
345R88Confident89.2Confident152 Ų15259.2 Ų59.257%0.57430%0.3SS*.Hα-helixtrans-60.4-31.3174.6-76.5-175.4-78.4174.8-10113.6S341 G347S341-R345 WeakPolarHBondContact O-CG 3.29Å; S341-R345 PolarHBondContact O-N 3.14Å; S341-R345 PolarHBondContact O-NE 3.16Å; S341-R345 PolarHBondContact OG-NH2 3.46Å; R345-G347 VanDerWaalsContact C-N 3.33Å
346K88.9Confident89.5Confident152 Ų15260 Ų6066%0.66130%0.3SS*.THydrogen-bonded Turntrans-83-5.2175.4-70.1-179.5179-173.30113.9K342 Q343 R344 Q348K342-K346 WeakPolarHBondContact O-CG 3.32Å; K342-K346 PolarHBondContact O-N 2.89Å; Q343-K346 CarbonylContact O-C 3.59Å; Q343-K346 PolarHBondContact O-N 3.42Å; R344-K346 PolarHBondContact O-N 2.84Å; K346-Q348 HydrophobicContact CB-CB 4.46Å; K346-Q348 HydrophobicContact CB-CG 4.26Å; K346-Q348 PolarHBondContact O-N 3.39Å
347G85.1Confident89.8Confident67 Ų6759.6 Ų59.669%0.69130%0.298SS*.THydrogen-bonded Turntrans68.218.5-173.700000114.5Q343 R344 R345Q343-G347 PolarHBondContact O-N 2.94Å; Q343-G347 VanDerWaalsContact O-N 3.13Å; R344-G347 PolarHBondContact O-N 3.33Å; R345-G347 VanDerWaalsContact C-N 3.33Å
348Q81.9Confident89.9Confident127 Ų12759.8 Ų59.859%0.59330%0.3SS*.  trans-107.446.7-172.6-69.2-179.2-9.400112.9Q343 K346 S350Q343-Q348 PolarHBondContact O-N 3.08Å; Q343-Q348 PolarHBondContact OE1-O 3.38Å; K346-Q348 HydrophobicContact CB-CB 4.46Å; K346-Q348 HydrophobicContact CB-CG 4.26Å; K346-Q348 PolarHBondContact O-N 3.39Å; Q348-S350 PolarHBondContact O-N 3.29Å
349L80.5Confident90Very high52 Ų5263.6 Ų63.627%0.27232%0.317SS..  trans-78.479.2179.1-71.2167.6000111.7R344 M354 K355 A358R344-L349 HydrophobicContact CB-CD1 4.28Å; R344-L349 HydrophobicContact CB-CD2 4.2Å; R344-L349 HydrophobicContact CB-CG 4.4Å; R344-L349 HydrophobicContact CG-CD1 4.14Å; L349-M354 HydrophobicContact CD2-CB 3.82Å; L349-K355 HydrophobicContact CB-CG 4.39Å; L349-K355 WeakPolarHBondContact O-CE 3.29Å; L349-A358 HydrophobicContact CD1-CB 3.8Å; L349-A358 HydrophobicContact CD2-CB 4.27Å
350S80.5Confident90.3Very high91 Ų9161 Ų6164%0.63630%0.304SS*.  trans-88.3-40.8-179.261.20000113.5Q348Q348-S350 PolarHBondContact O-N 3.29Å
351E87.4Confident90.5Very high53 Ų5361.9 Ų61.925%0.24831%0.307CS..SBendtrans-82.3142.2-171.8-48.3-166.4144.700113.1K353 M354 K355 K400E351-K353 VanDerWaalsContact C-N 3.3Å; E351-K353 PolarHBondContact O-N 3.14Å; E351-M354 HydrophobicContact CB-CB 4.41Å; E351-M354 HydrophobicContact CB-CG 4.02Å; E351-M354 HydrophobicContact CG-CG 4.48Å; E351-M354 PolarHBondContact O-N 3.08Å; E351-K355 WeakPolarHBondContact O-CG 3.28Å; E351-K355 PolarHBondContact O-N 3.08Å; E351-K400 VanDerWaalsContact CD-NZ 3.28Å; E351-K400 WeakPolarHBondContact OE1-CE 3.44Å; E351-K400 IonicContact OE1-NZ 3.71Å; E351-K400 PolarHBondContact OE1-NZ 3.4Å
352S91.6Very high90.6Very high57 Ų5767.1 Ų67.140%0.39934%0.335SS..Hα-helixtrans-52.5-44.1176.748.20000112.8M354 K355 R356 T398S352-M354 PolarHBondContact O-N 3.29Å; S352-K355 PolarHBondContact O-N 3.3Å; S352-R356 PolarHBondContact O-N 3.22Å; S352-T398 PolarHBondContact OG-O 3.43Å
353K93.9Very high90.7Very high23 Ų2365.6 Ų65.610%0.134%0.337CS..Hα-helixtrans-56.5-48.7174.6176.7-17766.2-171.20111.9L293 Y324 E351 R356 I357L293-K353 HydrophobicContact CD1-CD 4.07Å; L293-K353 HydrophobicContact CD1-CG 4.09Å; Y324-K353 HydrophobicContact CD1-CD 4.08Å; Y324-K353 HydrophobicContact CD2-CB 4.3Å; Y324-K353 HydrophobicContact CD2-CD 3.58Å; Y324-K353 HydrophobicContact CD2-CG 4.06Å; Y324-K353 HydrophobicContact CE1-CD 4.08Å; Y324-K353 HydrophobicContact CE2-CD 3.57Å; Y324-K353 HydrophobicContact CE2-CG 4.46Å; Y324-K353 HydrophobicContact CG-CD 3.82Å; Y324-K353 HydrophobicContact CG-CG 4.27Å; E351-K353 VanDerWaalsContact C-N 3.3Å; E351-K353 PolarHBondContact O-N 3.14Å; K353-R356 PolarHBondContact O-N 3.41Å; K353-I357 HydrophobicContact CG-CD1 3.99Å; K353-I357 WeakPolarHBondContact O-CG1 3.39Å; K353-I357 PolarHBondContact O-N 3.26Å
354M93.6Very high90.9Very high5 Ų565.6 Ų65.63%0.02535%0.35CS..Hα-helixtrans-69-37.8-176.7-58.7-54-168.500111.3D339 A340 L349 E351 S352 I357 A358D339-M354 HydrophobicContact CB-CE 4.08Å; A340-M354 HydrophobicContact CB-SD 3.58Å; A340-M354 VanDerWaalsContact CB-SD 3.58Å; L349-M354 HydrophobicContact CD2-CB 3.82Å; E351-M354 HydrophobicContact CB-CB 4.41Å; E351-M354 HydrophobicContact CB-CG 4.02Å; E351-M354 HydrophobicContact CG-CG 4.48Å; E351-M354 PolarHBondContact O-N 3.08Å; S352-M354 PolarHBondContact O-N 3.29Å; M354-I357 PolarHBondContact O-N 3.43Å; M354-I357 HydrophobicContact SD-CD1 4.25Å; M354-A358 WeakPolarHBondContact O-CB 3.38Å; M354-A358 PolarHBondContact O-N 2.79Å
355K93.7Very high91.2Very high104 Ų10465 Ų6545%0.45235%0.353SS..Hα-helixtrans-59.9-46.6171.9-69-179.9-178.6-176.20111.2L349 E351 S352 I357 A358 E359L349-K355 HydrophobicContact CB-CG 4.39Å; L349-K355 WeakPolarHBondContact O-CE 3.29Å; E351-K355 WeakPolarHBondContact O-CG 3.28Å; E351-K355 PolarHBondContact O-N 3.08Å; S352-K355 PolarHBondContact O-N 3.3Å; K355-I357 PolarHBondContact O-N 2.99Å; K355-A358 PolarHBondContact O-N 2.8Å; K355-E359 WeakPolarHBondContact O-CG 3.17Å; K355-E359 PolarHBondContact O-N 2.59Å
356R95.6Very high91.5Very high75 Ų7557.8 Ų57.828%0.28333%0.326SS..Hα-helixtrans-62.4-42.5178.5-172.352.4173.5179-2112.8D295 F323 S352 K353 A358 E359 L360 T398D295-R356 IonicContact OD2-CZ 2.64Å; D295-R356 IonicContact OD2-NE 3.03Å; D295-R356 PolarHBondContact OD2-NE 2.81Å; D295-R356 IonicContact OD2-NH2 3.85Å; D295-R356 PolarHBondContact OD2-NH2 3.3Å; F323-R356 HydrophobicContact CB-CG 4.5Å; F323-R356 HydrophobicContact CD1-CG 4.32Å; F323-R356 HydrophobicContact CD2-CB 4.08Å; F323-R356 HydrophobicContact CD2-CG 3.67Å; F323-R356 HydrophobicContact CE1-CG 4.44Å; F323-R356 HydrophobicContact CE2-CB 4.07Å; F323-R356 HydrophobicContact CE2-CG 3.83Å; F323-R356 HydrophobicContact CG-CG 3.92Å; F323-R356 HydrophobicContact CZ-CG 4.2Å; S352-R356 PolarHBondContact O-N 3.22Å; K353-R356 PolarHBondContact O-N 3.41Å; R356-A358 VanDerWaalsContact C-N 3.34Å; R356-A358 PolarHBondContact O-N 3.27Å; R356-E359 WeakPolarHBondContact CD-OE2 3.32Å; R356-E359 IonicContact CZ-OE2 2.68Å; R356-E359 IonicContact NH1-OE2 2.78Å; R356-E359 PolarHBondContact NH1-OE2 3.46Å; R356-E359 PolarHBondContact O-N 3.3Å; R356-L360 HydrophobicContact CG-CD1 4.34Å; R356-L360 WeakPolarHBondContact O-CG 3.46Å; R356-L360 PolarHBondContact O-N 3.31Å; R356-L360 VanDerWaalsContact O-N 3.11Å; R356-T398 HydrophobicContact CB-CG2 4.34Å
357I95.7Very high91.9Very high0 Ų050.5 Ų50.50%030%0.295CS..Hα-helixtrans-59.8-46.6174.5-68.1163.7000110.6L293 F323 L337 A340 K353 M354 K355 E359 L360 W361 V367L293-I357 HydrophobicContact CD1-CD1 3.96Å; L293-I357 HydrophobicContact CD1-CG1 4.4Å; F323-I357 HydrophobicContact CE2-CG1 4.25Å; F323-I357 HydrophobicContact CZ-CG1 4.21Å; L337-I357 HydrophobicContact CD2-CD1 4.16Å; L337-I357 HydrophobicContact CD2-CG1 4.42Å; L337-I357 HydrophobicContact CD2-CG2 4.2Å; A340-I357 HydrophobicContact CB-CB 4.27Å; A340-I357 HydrophobicContact CB-CD1 3.95Å; A340-I357 HydrophobicContact CB-CG2 3.75Å; K353-I357 HydrophobicContact CG-CD1 3.99Å; K353-I357 WeakPolarHBondContact O-CG1 3.39Å; K353-I357 PolarHBondContact O-N 3.26Å; M354-I357 PolarHBondContact O-N 3.43Å; M354-I357 HydrophobicContact SD-CD1 4.25Å; K355-I357 PolarHBondContact O-N 2.99Å; I357-E359 PolarHBondContact O-N 2.65Å; I357-L360 PolarHBondContact O-N 3.12Å; I357-W361 HydrophobicContact CG2-CD2 3.85Å; I357-W361 HydrophobicContact CG2-CE3 3.83Å; I357-W361 HydrophobicContact CG2-CH2 3.67Å; I357-W361 HydrophobicContact CG2-CZ2 3.68Å; I357-W361 HydrophobicContact CG2-CZ3 3.73Å; I357-W361 PolarHBondContact O-N 2.74Å; I357-V367 HydrophobicContact CB-CG2 4.38Å; I357-V367 HydrophobicContact CG1-CG2 4.41Å; I357-V367 HydrophobicContact CG2-CG2 4.08Å
358A94.2Very high92.4Very high5 Ų547.5 Ų47.54%0.04126%0.263CS..Hα-helixtrans-63.2-40.1179.300000112.6L349 M354 K355 R356 W361 N362L349-A358 HydrophobicContact CD1-CB 3.8Å; L349-A358 HydrophobicContact CD2-CB 4.27Å; M354-A358 WeakPolarHBondContact O-CB 3.38Å; M354-A358 PolarHBondContact O-N 2.79Å; K355-A358 PolarHBondContact O-N 2.8Å; R356-A358 VanDerWaalsContact C-N 3.34Å; R356-A358 PolarHBondContact O-N 3.27Å; A358-W361 PolarHBondContact O-N 2.99Å; A358-N362 WeakPolarHBondContact O-CB 3.45Å; A358-N362 PolarHBondContact O-N 2.9Å; A358-N362 PolarHBondContact O-ND2 3.45Å
359E95Very high93.1Very high97 Ų9742 Ų4245%0.45324%0.238SC..Hα-helixtrans-59.1-46.2174.3-73.5164.5-165.300112K355 R356 I357 W361 N362 S363K355-E359 WeakPolarHBondContact O-CG 3.17Å; K355-E359 PolarHBondContact O-N 2.59Å; R356-E359 WeakPolarHBondContact CD-OE2 3.32Å; R356-E359 IonicContact CZ-OE2 2.68Å; R356-E359 IonicContact NH1-OE2 2.78Å; R356-E359 PolarHBondContact NH1-OE2 3.46Å; R356-E359 PolarHBondContact O-N 3.3Å; I357-E359 PolarHBondContact O-N 2.65Å; E359-W361 VanDerWaalsContact C-N 3.35Å; E359-W361 PolarHBondContact O-N 3.28Å; E359-N362 PolarHBondContact O-N 3.37Å; E359-S363 PolarHBondContact O-N 3.49Å; E359-S363 PolarHBondContact O-OG 2.74Å
360L96.3Very high93.8Very high4 Ų439.9 Ų39.92%0.02123%0.227CC..Hα-helixtrans-69.1-30.5179.5-69.2173.9000113.2D295 T297 F323 R356 I357 S363 V365 G366 V367D295-L360 HydrophobicContact CB-CD1 4.41Å; D295-L360 WeakPolarHBondContact OD1-CD2 3.43Å; T297-L360 HydrophobicContact CG2-CD2 4.18Å; F323-L360 HydrophobicContact CE1-CD1 3.82Å; F323-L360 HydrophobicContact CZ-CD1 4.17Å; R356-L360 HydrophobicContact CG-CD1 4.34Å; R356-L360 WeakPolarHBondContact O-CG 3.46Å; R356-L360 PolarHBondContact O-N 3.31Å; R356-L360 VanDerWaalsContact O-N 3.11Å; I357-L360 PolarHBondContact O-N 3.12Å; L360-S363 PolarHBondContact O-OG 3.21Å; L360-V365 PolarHBondContact O-N 2.96Å; L360-G366 PolarHBondContact O-N 3.46Å; L360-V367 HydrophobicContact CB-CG2 3.73Å; L360-V367 HydrophobicContact CD1-CG2 3.85Å; L360-V367 HydrophobicContact CG-CG2 4.45Å
361W95.4Very high94.5Very high19 Ų1937.5 Ų37.57%0.07221%0.206CC..Hα-helixtrans-71.8-40.4169.8-73.4-22.8000112.4L337 A340 I357 A358 E359 S363 G364 F440 E442 V445L337-W361 HydrophobicContact CB-CZ2 4.27Å; L337-W361 HydrophobicContact CD2-CZ2 4.28Å; L337-W361 WeakPolarHBondContact O-CH2 3.44Å; A340-W361 HydrophobicContact CB-CH2 3.96Å; A340-W361 HydrophobicContact CB-CZ3 4.06Å; I357-W361 HydrophobicContact CG2-CD2 3.85Å; I357-W361 HydrophobicContact CG2-CE3 3.83Å; I357-W361 HydrophobicContact CG2-CH2 3.67Å; I357-W361 HydrophobicContact CG2-CZ2 3.68Å; I357-W361 HydrophobicContact CG2-CZ3 3.73Å; I357-W361 PolarHBondContact O-N 2.74Å; A358-W361 PolarHBondContact O-N 2.99Å; E359-W361 VanDerWaalsContact C-N 3.35Å; E359-W361 PolarHBondContact O-N 3.28Å; W361-S363 VanDerWaalsContact C-N 3.25Å; W361-S363 PolarHBondContact O-N 3.14Å; W361-G364 PolarHBondContact O-N 2.98Å; W361-G364 VanDerWaalsContact O-N 3.08Å; W361-F440 PolarHBondContact NE1-O 3.07Å; W361-E442 HydrophobicContact CD2-CB 3.81Å; W361-E442 HydrophobicContact CE3-CB 3.92Å; W361-E442 HydrophobicContact CE3-CG 4.15Å; W361-E442 HydrophobicContact CG-CB 4.17Å; W361-E442 HydrophobicContact CZ2-CB 4.46Å; W361-E442 HydrophobicContact CZ3-CB 4.3Å; W361-E442 HydrophobicContact CZ3-CG 4.15Å; W361-V445 HydrophobicContact CH2-CG2 4.02Å; W361-V445 HydrophobicContact CZ2-CG2 3.97Å
362N94Very high94.9Very high110 Ų11035.1 Ų35.159%0.58820%0.195SC*.Hα-helixtrans-63.1-31.6177.2-71.7-21.2000112.4R344 A358 E359 G364R344-N362 PolarHBondContact NH2-OD1 3.04Å; A358-N362 WeakPolarHBondContact O-CB 3.45Å; A358-N362 PolarHBondContact O-N 2.9Å; A358-N362 PolarHBondContact O-ND2 3.45Å; E359-N362 PolarHBondContact O-N 3.37Å; N362-G364 VanDerWaalsContact C-N 3.25Å; N362-G364 PolarHBondContact O-N 3.25Å
363S94.7Very high95Very high68 Ų6834 Ų3448%0.47618%0.182SC..THydrogen-bonded Turntrans-78.7-4.617665.20000114.1E359 L360 W361 V365E359-S363 PolarHBondContact O-N 3.49Å; E359-S363 PolarHBondContact O-OG 2.74Å; L360-S363 PolarHBondContact O-OG 3.21Å; W361-S363 VanDerWaalsContact C-N 3.25Å; W361-S363 PolarHBondContact O-N 3.14Å; S363-V365 VanDerWaalsContact C-N 3.26Å; S363-V365 PolarHBondContact O-N 3.41Å; S363-V365 WeakPolarHBondContact OG-CG2 3.17Å
364G94.6Very high95Very high49 Ų4937.1 Ų37.151%0.50520%0.197SC..THydrogen-bonded Turntrans78.11.3179.100000115.1W361 N362 H441W361-G364 PolarHBondContact O-N 2.98Å; W361-G364 VanDerWaalsContact O-N 3.08Å; N362-G364 VanDerWaalsContact C-N 3.25Å; N362-G364 PolarHBondContact O-N 3.25Å; G364-H441 PolarHBondContact O-NE2 3.39Å
365V94Very high94.9Very high55 Ų5539.9 Ų39.933%0.33322%0.216SC..  trans-84.8-30.5-174.2-163.70000112.1P296 T297 L360 S363P296-V365 HydrophobicContact CB-CG1 3.78Å; P296-V365 HydrophobicContact CG-CB 4.14Å; P296-V365 HydrophobicContact CG-CG1 3.45Å; P296-V365 VanDerWaalsContact CG-CG1 3.45Å; T297-V365 HydrophobicContact CG2-CB 4.39Å; T297-V365 HydrophobicContact CG2-CG1 4.29Å; T297-V365 HydrophobicContact CG2-CG2 4.02Å; L360-V365 PolarHBondContact O-N 2.96Å; S363-V365 VanDerWaalsContact C-N 3.26Å; S363-V365 PolarHBondContact O-N 3.41Å; S363-V365 WeakPolarHBondContact OG-CG2 3.17Å
366G95.3Very high94.9Very high0 Ų035.4 Ų35.40%020%0.197CC..  trans87.4-177.9-175.600000113P296 L360 F440P296-G366 WeakPolarHBondContact CG-O 3.28Å; L360-G366 PolarHBondContact O-N 3.46Å; G366-F440 WeakPolarHBondContact CA-O 3.49Å
367V96.7Very high94.7Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-125.1136.2178.7-179.60000109.9L293 F323 L337 I357 L360 F440L293-V367 HydrophobicContact CB-CG1 4.43Å; F323-V367 HydrophobicContact CE1-CG1 4.13Å; F323-V367 HydrophobicContact CZ-CG1 3.85Å; L337-V367 HydrophobicContact CD2-CB 4.29Å; L337-V367 HydrophobicContact CD2-CG1 4.2Å; I357-V367 HydrophobicContact CB-CG2 4.38Å; I357-V367 HydrophobicContact CG1-CG2 4.41Å; I357-V367 HydrophobicContact CG2-CG2 4.08Å; L360-V367 HydrophobicContact CB-CG2 3.73Å; L360-V367 HydrophobicContact CD1-CG2 3.85Å; L360-V367 HydrophobicContact CG-CG2 4.45Å; V367-F440 PolarHBondContact N-O 3.3Å; V367-F440 PolarHBondContact O-N 2.87Å
368V96.6Very high94.6Very high3 Ų332.1 Ų32.12%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-88.6119.5175.5174.90000108.9L293 I294 P296 F370 F432 Q437L293-V368 WeakPolarHBondContact CA-O 3.44Å; I294-V368 HydrophobicContact CB-CB 3.79Å; I294-V368 HydrophobicContact CB-CG1 3.98Å; I294-V368 HydrophobicContact CD1-CG1 4.38Å; I294-V368 HydrophobicContact CG2-CB 4.08Å; I294-V368 HydrophobicContact CG2-CG1 4.34Å; I294-V368 HydrophobicContact CG2-CG2 4.44Å; I294-V368 PolarHBondContact N-O 3.04Å; I294-V368 PolarHBondContact O-N 3.32Å; I294-V368 VanDerWaalsContact O-N 3.17Å; P296-V368 HydrophobicContact CB-CG2 4.27Å; V368-F370 HydrophobicContact CG1-CB 4.3Å; V368-F432 HydrophobicContact CG1-CE2 3.97Å; V368-F432 HydrophobicContact CG1-CZ 4.37Å; V368-Q437 HydrophobicContact CG1-CG 4.25Å; V368-Q437 HydrophobicContact CG2-CG 3.46Å; V368-Q437 VanDerWaalsContact CG2-CG 3.46Å
369S95.6Very high94.5Very high11 Ų1131.9 Ų31.98%0.07718%0.184CC..EExtended strand (participates in β ladder)trans-102.391.9171.2-178.30000109.1H336 H371H336-S369 PolarHBondContact CE1-OG 3.21Å; H336-S369 VanDerWaalsContact CE1-OG 3.27Å; H336-S369 PolarHBondContact NE2-OG 3.21Å; S369-H371 PolarHBondContact OG-NE2 3.4Å
370F96.3Very high94.5Very high8 Ų828 Ų284%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-92.9114.3-176.7173.9-138.5000110.1Y291 F292 I294 F318 V368 V372 A428 I431 F432 E435Y291-F370 CarbonylContact C-O 3.59Å; Y291-F370 WeakPolarHBondContact CA-O 3.46Å; Y291-F370 WeakPolarHBondContact CB-O 3.48Å; F292-F370 AromaticContact CD2-CD1 3.6Å; F292-F370 HydrophobicContact CD2-CD1 3.6Å; F292-F370 AromaticContact CD2-CE1 3.95Å; F292-F370 HydrophobicContact CD2-CE1 3.95Å; F292-F370 HydrophobicContact CE2-CD1 4.33Å; F292-F370 HydrophobicContact CE2-CE1 4.23Å; F292-F370 PolarHBondContact N-O 3.27Å; F292-F370 PolarHBondContact O-N 3.24Å; I294-F370 HydrophobicContact CD1-CB 3.92Å; I294-F370 HydrophobicContact CD1-CD1 4.04Å; I294-F370 HydrophobicContact CD1-CG 4.4Å; F318-F370 HydrophobicContact CE2-CD1 4.21Å; F318-F370 HydrophobicContact CE2-CE1 4.23Å; F318-F370 HydrophobicContact CZ-CD1 4.19Å; F318-F370 AromaticContact CZ-CE1 3.99Å; F318-F370 HydrophobicContact CZ-CE1 3.99Å; V368-F370 HydrophobicContact CG1-CB 4.3Å; F370-V372 HydrophobicContact CE1-CB 4.34Å; F370-V372 HydrophobicContact CZ-CB 4.15Å; F370-V372 HydrophobicContact CZ-CG2 4.23Å; F370-A428 HydrophobicContact CE1-CB 4.44Å; F370-A428 WeakPolarHBondContact CE1-O 3.38Å; F370-I431 HydrophobicContact CE2-CG2 4.02Å; F370-I431 HydrophobicContact CZ-CB 4.09Å; F370-I431 HydrophobicContact CZ-CG2 3.79Å; F370-F432 HydrophobicContact CB-CD2 4.23Å; F370-F432 HydrophobicContact CB-CE2 4.32Å; F370-F432 HydrophobicContact CD1-CB 4.15Å; F370-F432 AromaticContact CD1-CD2 3.67Å; F370-F432 HydrophobicContact CD1-CD2 3.67Å; F370-F432 HydrophobicContact CD1-CE2 4.47Å; F370-F432 HydrophobicContact CD1-CG 4.21Å; F370-F432 AromaticContact CD2-CD2 3.93Å; F370-F432 HydrophobicContact CD2-CD2 3.93Å; F370-F432 HydrophobicContact CE1-CB 3.65Å; F370-F432 HydrophobicContact CE1-CD2 4.03Å; F370-F432 HydrophobicContact CE1-CG 4.22Å; F370-F432 HydrophobicContact CE2-CB 4.38Å; F370-F432 HydrophobicContact CE2-CD2 4.23Å; F370-F432 AromaticContact CG-CD2 3.67Å; F370-F432 HydrophobicContact CG-CD2 3.67Å; F370-F432 HydrophobicContact CG-CE2 4.26Å; F370-F432 HydrophobicContact CZ-CB 3.78Å; F370-F432 HydrophobicContact CZ-CD2 4.3Å; F370-E435 WeakPolarHBondContact CE2-OE2 3.36Å
371H95.4Very high94.5Very high42 Ų4227.8 Ų27.819%0.19416%0.164CC..EExtended strand (participates in β ladder)trans-96.7128.9179.6-54.9160000110.6F289 S369F289-H371 HydrophobicContact CD2-CB 3.93Å; F289-H371 HydrophobicContact CE2-CB 4Å; F289-H371 AromaticContact CE2-CD2 3.64Å; F289-H371 AromaticContact CE2-CG 3.6Å; S369-H371 PolarHBondContact OG-NE2 3.4Å
372V95.3Very high94.5Very high3 Ų328.4 Ų28.42%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-133.4157.1-176.172.10000110.7C290 F292 F370 A428 I431C290-V372 CarbonylContact C-O 3.51Å; C290-V372 HydrophobicContact CB-CG1 4.01Å; C290-V372 PolarHBondContact N-O 2.91Å; C290-V372 PolarHBondContact O-N 3.37Å; F292-V372 HydrophobicContact CD2-CG1 4.2Å; F292-V372 HydrophobicContact CE2-CB 4.32Å; F292-V372 HydrophobicContact CE2-CG1 3.49Å; F292-V372 VanDerWaalsContact CE2-CG1 3.49Å; F292-V372 HydrophobicContact CZ-CG1 3.93Å; F370-V372 HydrophobicContact CE1-CB 4.34Å; F370-V372 HydrophobicContact CZ-CB 4.15Å; F370-V372 HydrophobicContact CZ-CG2 4.23Å; V372-A428 HydrophobicContact CG2-CB 4.34Å; V372-I431 HydrophobicContact CG2-CD1 3.74Å
373W94.3Very high94.6Very high33 Ų3323.1 Ų23.113%0.12514%0.139CC..EExtended strand (participates in β ladder)trans50.776.7178.9-47.1-47.6000112.2F289 C290 F292 L376 R384 V388 L424 A428F289-W373 WeakPolarHBondContact CA-O 3.46Å; C290-W373 HydrophobicContact CB-CE3 3.53Å; C290-W373 HydrophobicContact CB-CZ3 3.89Å; F292-W373 HydrophobicContact CE2-CH2 4.5Å; F292-W373 AromaticContact CZ-CH2 3.82Å; F292-W373 HydrophobicContact CZ-CH2 3.82Å; F292-W373 HydrophobicContact CZ-CZ3 4.09Å; W373-L376 HydrophobicContact CB-CD1 3.89Å; W373-L376 HydrophobicContact CB-CD2 4.36Å; W373-L376 HydrophobicContact CB-CG 4.39Å; W373-L376 VanDerWaalsContact O-CD1 3.28Å; W373-L376 WeakPolarHBondContact O-CD1 3.43Å; W373-L376 VanDerWaalsContact O-CG 3.23Å; W373-L376 WeakPolarHBondContact O-CG 3.37Å; W373-R384 VanDerWaalsContact CD1-NH1 3.33Å; W373-R384 HydrophobicContact CE3-CB 4.07Å; W373-R384 VanDerWaalsContact CG-NH1 3.3Å; W373-R384 HydrophobicContact CZ3-CB 4.15Å; W373-V388 HydrophobicContact CH2-CG2 3.9Å; W373-V388 HydrophobicContact CZ3-CG2 4.2Å; W373-L424 HydrophobicContact CH2-CB 3.64Å; W373-L424 HydrophobicContact CH2-CD1 4.43Å; W373-L424 HydrophobicContact CH2-CD2 4.05Å; W373-L424 HydrophobicContact CH2-CG 4.25Å; W373-L424 HydrophobicContact CZ2-CB 3.74Å; W373-L424 HydrophobicContact CZ2-CD2 3.69Å; W373-L424 HydrophobicContact CZ2-CG 4.26Å; W373-L424 VanDerWaalsContact CZ2-O 3.32Å; W373-L424 WeakPolarHBondContact CZ2-O 3.42Å; W373-A428 HydrophobicContact CH2-CB 4.39Å; W373-A428 HydrophobicContact CZ2-CB 3.99Å
374Q92.4Very high94.7Very high89 Ų8921 Ų2142%0.41612%0.121SC..EExtended strand (participates in β ladder)trans-78.7164.8180-59.7-65.9-24.700112F289 L376F289-Q374 VanDerWaalsContact CB-OE1 3.25Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 PolarHBondContact O-N 3.47Å
375S92.9Very high94.8Very high62 Ų6219.8 Ų19.843%0.43410%0.102SC..EExtended strand (participates in β ladder)trans61.437.5172.3-530000114.2K286 C288K286-S375 WeakPolarHBondContact CB-O 3.31Å; C288-S375 PolarHBondContact O-N 3.01Å
376L92.8Very high95Very high10 Ų1017.1 Ų17.15%0.0529%0.086CC..EExtended strand (participates in β ladder)trans-89153176.2-53.6-179000111K286 D287 C288 W373 Q374 E380 A381K286-L376 CarbonylContact C-O 3.31Å; K286-L376 WeakPolarHBondContact CA-O 3.33Å; D287-L376 PolarHBondContact N-O 2.88Å; C288-L376 HydrophobicContact CB-CB 4.42Å; C288-L376 WeakPolarHBondContact CB-O 3.45Å; C288-L376 PolarHBondContact N-O 3.41Å; C288-L376 PolarHBondContact O-N 3.08Å; W373-L376 HydrophobicContact CB-CD1 3.89Å; W373-L376 HydrophobicContact CB-CD2 4.36Å; W373-L376 HydrophobicContact CB-CG 4.39Å; W373-L376 VanDerWaalsContact O-CD1 3.28Å; W373-L376 WeakPolarHBondContact O-CD1 3.43Å; W373-L376 VanDerWaalsContact O-CG 3.23Å; W373-L376 WeakPolarHBondContact O-CG 3.37Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 PolarHBondContact O-N 3.47Å; L376-E380 HydrophobicContact CB-CB 4.47Å; L376-E380 HydrophobicContact CD2-CG 4.24Å; L376-A381 HydrophobicContact CB-CB 4.23Å; L376-A381 HydrophobicContact CD1-CB 4.01Å
377I92Very high95.2Very high4 Ų417.1 Ų17.12%0.0219%0.086CC..  trans-74.6157.3160.568170.5000110F270 W280 Q284 K286 A379 E380 A381F270-I377 HydrophobicContact CB-CD1 3.79Å; F270-I377 HydrophobicContact CB-CG1 4.21Å; F270-I377 HydrophobicContact CD1-CD1 3.74Å; F270-I377 HydrophobicContact CD1-CG1 4.46Å; F270-I377 HydrophobicContact CG-CD1 4.07Å; F270-I377 HydrophobicContact CG-CG1 4.49Å; W280-I377 HydrophobicContact CG-CD1 4.32Å; Q284-I377 WeakPolarHBondContact O-CG2 3.39Å; K286-I377 HydrophobicContact CG-CG2 3.73Å; I377-A379 VanDerWaalsContact C-N 3.32Å; I377-A379 HydrophobicContact CD1-CB 4.22Å; I377-A379 HydrophobicContact CG1-CB 4.44Å; I377-A379 PolarHBondContact O-N 3.2Å; I377-E380 HydrophobicContact CG1-CB 3.85Å; I377-E380 PolarHBondContact O-N 2.92Å; I377-A381 PolarHBondContact O-N 3.27Å; I377-A381 VanDerWaalsContact O-N 3.08Å
378P92.8Very high95.2Very high3 Ų317.1 Ų17.12%0.0199%0.086CC..Hα-helixtrans-53.6-44.2-180-28.534000114.2E380 A381 F382P378-E380 VanDerWaalsContact C-N 3.34Å; P378-E380 PolarHBondContact O-N 3.28Å; P378-A381 PolarHBondContact O-N 3.09Å; P378-F382 WeakPolarHBondContact O-CD2 3.48Å; P378-F382 PolarHBondContact O-N 3.39Å
379A93Very high95.3Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-62.1-39.5-177.800000112.7F270 W280 I377 T383 Y406F270-A379 HydrophobicContact CD1-CB 4.28Å; F270-A379 HydrophobicContact CE1-CB 3.82Å; W280-A379 HydrophobicContact CB-CB 4.38Å; W280-A379 HydrophobicContact CD2-CB 4.18Å; W280-A379 HydrophobicContact CE3-CB 3.88Å; W280-A379 HydrophobicContact CG-CB 4.42Å; I377-A379 VanDerWaalsContact C-N 3.32Å; I377-A379 HydrophobicContact CD1-CB 4.22Å; I377-A379 HydrophobicContact CG1-CB 4.44Å; I377-A379 PolarHBondContact O-N 3.2Å; A379-T383 WeakPolarHBondContact O-CB 3.38Å; A379-T383 PolarHBondContact O-N 2.92Å; A379-T383 VanDerWaalsContact O-N 3.08Å; A379-T383 PolarHBondContact O-OG1 2.9Å; A379-Y406 HydrophobicContact CB-CD2 4.44Å; A379-Y406 HydrophobicContact CB-CG 4.07Å
380E94.6Very high95.4Very high14 Ų1417.4 Ų17.47%0.0659%0.087CC..Hα-helixtrans-69.1-44.5176.2-174.3174.8177.600111.2F270 L376 I377 P378 F382 T383 R384F270-E380 HydrophobicContact CB-CB 4.19Å; F270-E380 HydrophobicContact CD1-CB 4.47Å; F270-E380 HydrophobicContact CD2-CB 3.51Å; F270-E380 HydrophobicContact CD2-CG 3.57Å; F270-E380 HydrophobicContact CE2-CB 3.92Å; F270-E380 HydrophobicContact CE2-CG 4.03Å; F270-E380 HydrophobicContact CG-CB 3.82Å; F270-E380 HydrophobicContact CG-CG 4.28Å; L376-E380 HydrophobicContact CB-CB 4.47Å; L376-E380 HydrophobicContact CD2-CG 4.24Å; I377-E380 HydrophobicContact CG1-CB 3.85Å; I377-E380 PolarHBondContact O-N 2.92Å; P378-E380 VanDerWaalsContact C-N 3.34Å; P378-E380 PolarHBondContact O-N 3.28Å; E380-F382 VanDerWaalsContact C-N 3.32Å; E380-F382 PolarHBondContact O-N 3.03Å; E380-T383 PolarHBondContact O-N 3.29Å; E380-T383 VanDerWaalsContact O-N 3.12Å; E380-R384 HydrophobicContact CG-CG 4.42Å; E380-R384 WeakPolarHBondContact O-CG 3.26Å; E380-R384 PolarHBondContact O-N 3.17Å; E380-R384 IonicContact OE1-CZ 3.49Å; E380-R384 VanDerWaalsContact OE1-CZ 3.25Å; E380-R384 IonicContact OE1-NE 3.39Å; E380-R384 PolarHBondContact OE1-NE 3.35Å; E380-R384 IonicContact OE1-NH2 3.47Å; E380-R384 PolarHBondContact OE1-NH2 3.27Å
381A95.4Very high95.4Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-59.7-42.7177.300000112C288 C290 K327 L376 I377 P378 E385C288-A381 HydrophobicContact CB-CB 3.86Å; C290-A381 PolarHBondContact SG-O 3.35Å; K327-A381 HydrophobicContact CB-CB 4.13Å; L376-A381 HydrophobicContact CB-CB 4.23Å; L376-A381 HydrophobicContact CD1-CB 4.01Å; I377-A381 PolarHBondContact O-N 3.27Å; I377-A381 VanDerWaalsContact O-N 3.08Å; P378-A381 PolarHBondContact O-N 3.09Å; A381-E385 VanDerWaalsContact O-CB 3.26Å; A381-E385 WeakPolarHBondContact O-CB 3.25Å; A381-E385 PolarHBondContact O-N 3.38Å
382F95.3Very high95.5Very high32 Ų3215.1 Ų15.114%0.148%0.076CC..Hα-helixtrans-60.4-44173.4-84.5-68000112.3K327 P378 E380 E385 A386 E404 Y406K327-F382 HydrophobicContact CD-CD1 3.62Å; K327-F382 HydrophobicContact CD-CD2 4.13Å; K327-F382 HydrophobicContact CD-CE1 3.61Å; K327-F382 HydrophobicContact CD-CE2 4.08Å; K327-F382 HydrophobicContact CD-CG 3.91Å; K327-F382 HydrophobicContact CD-CZ 3.85Å; K327-F382 VanDerWaalsContact NZ-CE2 3.33Å; P378-F382 WeakPolarHBondContact O-CD2 3.48Å; P378-F382 PolarHBondContact O-N 3.39Å; E380-F382 VanDerWaalsContact C-N 3.32Å; E380-F382 PolarHBondContact O-N 3.03Å; F382-E385 PolarHBondContact O-N 3.3Å; F382-A386 WeakPolarHBondContact O-CB 3.24Å; F382-A386 PolarHBondContact O-N 3.11Å; F382-E404 CarbonylContact C-O 3.52Å; F382-E404 VanDerWaalsContact C-O 3.31Å; F382-Y406 HydrophobicContact CB-CD2 3.73Å; F382-Y406 HydrophobicContact CB-CE2 3.57Å; F382-Y406 AromaticContact CD2-CE2 3.9Å; F382-Y406 HydrophobicContact CD2-CE2 3.9Å; F382-Y406 HydrophobicContact CG-CD2 4.43Å; F382-Y406 AromaticContact CG-CE2 3.81Å; F382-Y406 HydrophobicContact CG-CE2 3.81Å
383T96.1Very high95.5Very high0 Ų015.6 Ų15.60%08%0.082CC..Hα-helixtrans-67.4-42.9-177.1-57.10000111.6L266 A379 E380 A386 A387 Y405 Y406 A409L266-T383 HydrophobicContact CD1-CG2 4.27Å; L266-T383 HydrophobicContact CD2-CG2 4.19Å; A379-T383 WeakPolarHBondContact O-CB 3.38Å; A379-T383 PolarHBondContact O-N 2.92Å; A379-T383 VanDerWaalsContact O-N 3.08Å; A379-T383 PolarHBondContact O-OG1 2.9Å; E380-T383 PolarHBondContact O-N 3.29Å; E380-T383 VanDerWaalsContact O-N 3.12Å; T383-A386 PolarHBondContact O-N 2.77Å; T383-A387 WeakPolarHBondContact O-CB 3.48Å; T383-A387 PolarHBondContact O-N 2.81Å; T383-Y405 HydrophobicContact CG2-CD1 3.97Å; T383-Y406 PolarHBondContact OG1-N 3.18Å; T383-A409 HydrophobicContact CG2-CB 3.74Å
384R97.5Very high95.6Very high24 Ų2416.4 Ų16.49%0.0919%0.088CC..Hα-helixtrans-65.4-43.7175.2-68.7179.5-177.9-122.12.1111.8W373 E380 A386 A387 V388 L424W373-R384 VanDerWaalsContact CD1-NH1 3.33Å; W373-R384 HydrophobicContact CE3-CB 4.07Å; W373-R384 VanDerWaalsContact CG-NH1 3.3Å; W373-R384 HydrophobicContact CZ3-CB 4.15Å; E380-R384 HydrophobicContact CG-CG 4.42Å; E380-R384 WeakPolarHBondContact O-CG 3.26Å; E380-R384 PolarHBondContact O-N 3.17Å; E380-R384 IonicContact OE1-CZ 3.49Å; E380-R384 VanDerWaalsContact OE1-CZ 3.25Å; E380-R384 IonicContact OE1-NE 3.39Å; E380-R384 PolarHBondContact OE1-NE 3.35Å; E380-R384 IonicContact OE1-NH2 3.47Å; E380-R384 PolarHBondContact OE1-NH2 3.27Å; R384-A386 VanDerWaalsContact C-N 3.34Å; R384-A386 PolarHBondContact O-N 3.35Å; R384-A387 PolarHBondContact O-N 3.36Å; R384-V388 WeakPolarHBondContact O-CG2 3.49Å; R384-V388 PolarHBondContact O-N 3.18Å; R384-V388 VanDerWaalsContact O-N 3.11Å; R384-L424 HydrophobicContact CB-CD1 4.09Å; R384-L424 HydrophobicContact CG-CD1 4.15Å
385E97.7Very high95.6Very high22 Ų2219.7 Ų19.710%0.10310%0.101CC..Hα-helixtrans-56.6-47.7173.4172.8-178.3-172.200111.2V325 K327 A381 F382 V388 I389V325-E385 HydrophobicContact CG1-CG 4.2Å; K327-E385 WeakPolarHBondContact CB-OE2 3.25Å; K327-E385 WeakPolarHBondContact CD-OE2 3.41Å; K327-E385 WeakPolarHBondContact CG-OE2 3.14Å; A381-E385 VanDerWaalsContact O-CB 3.26Å; A381-E385 WeakPolarHBondContact O-CB 3.25Å; A381-E385 PolarHBondContact O-N 3.38Å; F382-E385 PolarHBondContact O-N 3.3Å; E385-V388 PolarHBondContact O-N 3.08Å; E385-I389 HydrophobicContact CG-CD1 3.75Å; E385-I389 VanDerWaalsContact O-CG1 3.3Å; E385-I389 WeakPolarHBondContact O-CG1 3.21Å; E385-I389 PolarHBondContact O-N 3.17Å
386A98Very high95.7Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-60.6-47.6179.600000112.2F382 T383 R384 V388 I389 D390 G403 Y405F382-A386 WeakPolarHBondContact O-CB 3.24Å; F382-A386 PolarHBondContact O-N 3.11Å; T383-A386 PolarHBondContact O-N 2.77Å; R384-A386 VanDerWaalsContact C-N 3.34Å; R384-A386 PolarHBondContact O-N 3.35Å; A386-V388 VanDerWaalsContact C-N 3.34Å; A386-V388 PolarHBondContact O-N 3.15Å; A386-I389 PolarHBondContact O-N 3.1Å; A386-D390 WeakPolarHBondContact O-CB 3.33Å; A386-D390 PolarHBondContact O-N 3.32Å; A386-G403 VanDerWaalsContact CB-C 3.46Å; A386-Y405 VanDerWaalsContact C-OH 3.25Å; A386-Y405 HydrophobicContact CB-CD1 4.25Å; A386-Y405 HydrophobicContact CB-CD2 3.8Å; A386-Y405 HydrophobicContact CB-CE1 3.98Å; A386-Y405 HydrophobicContact CB-CE2 3.51Å; A386-Y405 HydrophobicContact CB-CG 4.16Å; A386-Y405 PolarHBondContact O-OH 3.27Å
387A98Very high96Very high0 Ų019.3 Ų19.30%09%0.094CC..Hα-helixtrans-55.5-47.4176.900000112.1T383 R384 D390 A391 Y405 L420 G421 L424T383-A387 WeakPolarHBondContact O-CB 3.48Å; T383-A387 PolarHBondContact O-N 2.81Å; R384-A387 PolarHBondContact O-N 3.36Å; A387-D390 PolarHBondContact O-N 3.26Å; A387-A391 PolarHBondContact O-N 3.17Å; A387-Y405 WeakPolarHBondContact CA-OH 3.24Å; A387-Y405 HydrophobicContact CB-CE1 4.19Å; A387-Y405 PolarHBondContact N-OH 3.09Å; A387-L420 HydrophobicContact CB-CB 4.46Å; A387-L420 HydrophobicContact CB-CD2 3.9Å; A387-L420 HydrophobicContact CB-CG 4.09Å; A387-G421 VanDerWaalsContact O-CA 3.28Å; A387-G421 WeakPolarHBondContact O-CA 3.41Å; A387-L424 HydrophobicContact CB-CD1 3.98Å
388V98.4Very high96.2Very high0 Ų020.2 Ų20.20%010%0.1CC..Hα-helixtrans-67.4-41.7179.8177.20000112.1F292 V325 W373 R384 E385 A386 D390 A391 I392 L424 L425F292-V388 HydrophobicContact CE1-CG1 3.83Å; F292-V388 HydrophobicContact CZ-CG1 4.4Å; V325-V388 HydrophobicContact CG1-CB 4.21Å; V325-V388 HydrophobicContact CG1-CG1 4.12Å; V325-V388 HydrophobicContact CG2-CG1 3.91Å; W373-V388 HydrophobicContact CH2-CG2 3.9Å; W373-V388 HydrophobicContact CZ3-CG2 4.2Å; R384-V388 WeakPolarHBondContact O-CG2 3.49Å; R384-V388 PolarHBondContact O-N 3.18Å; R384-V388 VanDerWaalsContact O-N 3.11Å; E385-V388 PolarHBondContact O-N 3.08Å; A386-V388 VanDerWaalsContact C-N 3.34Å; A386-V388 PolarHBondContact O-N 3.15Å; V388-D390 VanDerWaalsContact C-N 3.29Å; V388-D390 PolarHBondContact O-N 3.08Å; V388-A391 PolarHBondContact O-N 3.09Å; V388-I392 HydrophobicContact CG1-CD1 4.02Å; V388-I392 HydrophobicContact CG1-CG1 4.46Å; V388-I392 PolarHBondContact O-N 2.99Å; V388-L424 HydrophobicContact CG2-CB 3.89Å; V388-L424 HydrophobicContact CG2-CD1 4.21Å; V388-L425 HydrophobicContact CG1-CD1 4.22Å; V388-L425 HydrophobicContact CG1-CD2 3.7Å; V388-L425 HydrophobicContact CG1-CG 3.91Å
389I98.3Very high96.4Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-60.4-40.9175.7-69.3168000110.9V325 E385 A386 G393 L394 L397 N399V325-I389 HydrophobicContact CB-CG1 3.9Å; V325-I389 HydrophobicContact CG1-CG1 4.23Å; V325-I389 HydrophobicContact CG2-CG1 4.35Å; E385-I389 HydrophobicContact CG-CD1 3.75Å; E385-I389 VanDerWaalsContact O-CG1 3.3Å; E385-I389 WeakPolarHBondContact O-CG1 3.21Å; E385-I389 PolarHBondContact O-N 3.17Å; A386-I389 PolarHBondContact O-N 3.1Å; I389-G393 VanDerWaalsContact O-CA 3.3Å; I389-G393 WeakPolarHBondContact O-CA 3.37Å; I389-G393 PolarHBondContact O-N 3.07Å; I389-L394 HydrophobicContact CG2-CD1 4.33Å; I389-L397 HydrophobicContact CB-CD1 4.35Å; I389-L397 HydrophobicContact CG1-CD1 4.07Å; I389-L397 HydrophobicContact CG2-CD1 4.27Å; I389-N399 WeakPolarHBondContact CD1-ND2 3.06Å
390D97Very high96.4Very high20 Ų2027.7 Ų27.711%0.10713%0.133CC..Hα-helixtrans-70.8-32.8-179.4-81.51.9000112.6A386 A387 V388 R402 Y405 R418A386-D390 WeakPolarHBondContact O-CB 3.33Å; A386-D390 PolarHBondContact O-N 3.32Å; A387-D390 PolarHBondContact O-N 3.26Å; V388-D390 VanDerWaalsContact C-N 3.29Å; V388-D390 PolarHBondContact O-N 3.08Å; D390-R402 IonicContact OD1-CZ 3.68Å; D390-R402 IonicContact OD1-NH1 2.8Å; D390-R402 PolarHBondContact OD1-NH1 3.29Å; D390-Y405 PolarHBondContact OD2-OH 2.95Å; D390-R418 HydrophobicContact CB-CG 4.01Å; D390-R418 WeakPolarHBondContact O-CD 3.11Å
391A97.2Very high96.3Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-72.7-45175.300000113S243 L246 A387 V388 L425S243-A391 WeakPolarHBondContact CB-O 3.19Å; S243-A391 PolarHBondContact N-O 3.35Å; L246-A391 HydrophobicContact CD2-CB 4.34Å; A387-A391 PolarHBondContact O-N 3.17Å; V388-A391 PolarHBondContact O-N 3.09Å; A391-L425 HydrophobicContact CB-CD1 4.06Å
392I97.7Very high96.2Very high1 Ų139.6 Ų39.61%0.00518%0.181CC..Hα-helixtrans-69.8-37.4175-67177.8000110.6F242 L246 I322 V325 V388 N396 L397 L425F242-I392 HydrophobicContact CD1-CB 4.49Å; F242-I392 HydrophobicContact CD1-CG2 4.15Å; F242-I392 HydrophobicContact CE1-CG2 4.19Å; L246-I392 HydrophobicContact CD2-CG1 4.38Å; I322-I392 HydrophobicContact CB-CD1 4.17Å; I322-I392 HydrophobicContact CD1-CD1 4.1Å; I322-I392 HydrophobicContact CG2-CD1 3.96Å; V325-I392 HydrophobicContact CG2-CD1 4.24Å; V388-I392 HydrophobicContact CG1-CD1 4.02Å; V388-I392 HydrophobicContact CG1-CG1 4.46Å; V388-I392 PolarHBondContact O-N 2.99Å; I392-N396 HydrophobicContact CG2-CB 3.85Å; I392-N396 PolarHBondContact O-ND2 3.45Å; I392-L397 HydrophobicContact CB-CD1 4.19Å; I392-L397 HydrophobicContact CB-CG 4.43Å; I392-L397 HydrophobicContact CD1-CD2 4.22Å; I392-L397 HydrophobicContact CG2-CD1 4.04Å; I392-L397 HydrophobicContact CG2-CD2 3.89Å; I392-L397 HydrophobicContact CG2-CG 3.74Å; I392-L425 HydrophobicContact CD1-CD1 4.33Å; I392-L425 HydrophobicContact CD1-CD2 4Å; I392-L425 HydrophobicContact CG1-CD1 3.77Å; I392-L425 HydrophobicContact CG1-CD2 4.36Å
393G95.3Very high96.1Very high14 Ų1439 Ų3914%0.14418%0.183CC..  trans87.3129.9-172.900000112.3I389 K395 N396I389-G393 VanDerWaalsContact O-CA 3.3Å; I389-G393 WeakPolarHBondContact O-CA 3.37Å; I389-G393 PolarHBondContact O-N 3.07Å; G393-K395 PolarHBondContact O-N 3.36Å; G393-N396 PolarHBondContact O-N 3.45Å
394L94.8Very high96Very high49 Ų4941.8 Ų41.826%0.25720%0.197SC..G310 helixtrans-54.4-31.9-177.5-17165000113.4I389 N396 L397 N399 R402I389-L394 HydrophobicContact CG2-CD1 4.33Å; L394-N396 PolarHBondContact O-N 2.82Å; L394-L397 PolarHBondContact O-N 3.04Å; L394-L397 VanDerWaalsContact O-N 3.16Å; L394-N399 HydrophobicContact CD1-CB 3.7Å; L394-N399 VanDerWaalsContact CD1-O 3.31Å; L394-N399 WeakPolarHBondContact CD1-O 3.33Å; L394-R402 HydrophobicContact CD2-CG 4.31Å
395K93.7Very high95.9Very high159 Ų15942.3 Ų42.369%0.69120%0.199SC*.G310 helixtrans-59.9-24.8177.967.9178.3-176.2176.20113.9F240 K241 G393F240-K395 PolarHBondContact O-NZ 3.22Å; K241-K395 WeakPolarHBondContact O-CE 3.45Å; G393-K395 PolarHBondContact O-N 3.36Å
396N95.5Very high95.6Very high47 Ų4742.8 Ų42.825%0.25120%0.2SC..G310 helixtrans-99.11.9-177.6-57.9-56000112.9K241 I392 G393 L394K241-N396 PolarHBondContact O-ND2 3.13Å; I392-N396 HydrophobicContact CG2-CB 3.85Å; I392-N396 PolarHBondContact O-ND2 3.45Å; G393-N396 PolarHBondContact O-N 3.45Å; L394-N396 PolarHBondContact O-N 2.82Å
397L97.4Very high95.1Very high17 Ų1743.5 Ų43.59%0.08921%0.207CC..SBendtrans-121.6157.2-175.7-65.5172.5000110.6I322 V325 I389 I392 L394 N399I322-L397 HydrophobicContact CG2-CD2 3.92Å; V325-L397 HydrophobicContact CG2-CD1 3.92Å; V325-L397 HydrophobicContact CG2-CD2 4.1Å; I389-L397 HydrophobicContact CB-CD1 4.35Å; I389-L397 HydrophobicContact CG1-CD1 4.07Å; I389-L397 HydrophobicContact CG2-CD1 4.27Å; I392-L397 HydrophobicContact CB-CD1 4.19Å; I392-L397 HydrophobicContact CB-CG 4.43Å; I392-L397 HydrophobicContact CD1-CD2 4.22Å; I392-L397 HydrophobicContact CG2-CD1 4.04Å; I392-L397 HydrophobicContact CG2-CD2 3.89Å; I392-L397 HydrophobicContact CG2-CG 3.74Å; L394-L397 PolarHBondContact O-N 3.04Å; L394-L397 VanDerWaalsContact O-N 3.16Å; L397-N399 HydrophobicContact CB-CB 4.16Å; L397-N399 PolarHBondContact O-N 2.94Å
398T96.8Very high94.7Very high23 Ų2345.1 Ų45.114%0.14122%0.218CC..SBendtrans-830.8170.461.30000112.8F323 S352 R356F323-T398 HydrophobicContact CB-CG2 4.49Å; F323-T398 HydrophobicContact CD2-CG2 4.09Å; F323-T398 WeakPolarHBondContact O-CB 3.39Å; F323-T398 WeakPolarHBondContact O-CG2 3.38Å; F323-T398 PolarHBondContact O-N 3.45Å; F323-T398 PolarHBondContact O-OG1 3.19Å; S352-T398 PolarHBondContact OG-O 3.43Å; R356-T398 HydrophobicContact CB-CG2 4.34Å
399N96.1Very high94.4Very high15 Ų1545.1 Ų45.18%0.0822%0.218CC..  trans-57.2138.3172.5-73.772.2000110.9Y324 V325 I389 L394 L397Y324-N399 WeakPolarHBondContact CD2-OD1 3.42Å; V325-N399 PolarHBondContact N-OD1 3.22Å; V325-N399 PolarHBondContact O-ND2 3.35Å; I389-N399 WeakPolarHBondContact CD1-ND2 3.06Å; L394-N399 HydrophobicContact CD1-CB 3.7Å; L394-N399 VanDerWaalsContact CD1-O 3.31Å; L394-N399 WeakPolarHBondContact CD1-O 3.33Å; L397-N399 HydrophobicContact CB-CB 4.16Å; L397-N399 PolarHBondContact O-N 2.94Å
400K93.3Very high94.1Very high145 Ų14548.4 Ų48.463%0.6324%0.241SC*.SBendtrans-83-27.9179.5-70.8-178.4171.6179.60113.8E351E351-K400 VanDerWaalsContact CD-NZ 3.28Å; E351-K400 WeakPolarHBondContact OE1-CE 3.44Å; E351-K400 IonicContact OE1-NZ 3.71Å; E351-K400 PolarHBondContact OE1-NZ 3.4Å
401K93.6Very high93.6Very high131 Ų13152.3 Ų52.357%0.5727%0.269SS*.SBendtrans-142.8160.4-176.666.6170.9-164.9162.50110.3E404K401-E404 IonicContact NZ-OE1 3.82Å; K401-E404 PolarHBondContact NZ-OE1 3.41Å
402R93.6Very high93.1Very high133 Ų13353.3 Ų53.350%0.50227%0.273SS..  trans-66.9159.9167.7-65-174.7180-942.2110.9D390 L394D390-R402 IonicContact OD1-CZ 3.68Å; D390-R402 IonicContact OD1-NH1 2.8Å; D390-R402 PolarHBondContact OD1-NH1 3.29Å; L394-R402 HydrophobicContact CD2-CG 4.31Å
403G92.2Very high92.5Very high18 Ų1856.6 Ų56.619%0.18630%0.301CS..  trans-77174.717600000112.9A386A386-G403 VanDerWaalsContact CB-C 3.46Å
404E94.9Very high91.9Very high60 Ų6059.3 Ų59.328%0.2832%0.317SS..  trans-112131.3-179.7-69169.6-150.900109.5R281 F382 K401 Y406R281-E404 IonicContact NH1-OE2 2.97Å; F382-E404 CarbonylContact C-O 3.52Å; F382-E404 VanDerWaalsContact C-O 3.31Å; K401-E404 IonicContact NZ-OE1 3.82Å; K401-E404 PolarHBondContact NZ-OE1 3.41Å; E404-Y406 HydrophobicContact CB-CE2 3.71Å; E404-Y406 PolarHBondContact OE2-OH 2.97Å
405Y93.8Very high91.3Very high35 Ų3557.4 Ų57.414%0.13731%0.309CS..  trans-94.8136.1178-69.8-93000110.7T383 A386 A387 D390 A409 K417T383-Y405 HydrophobicContact CG2-CD1 3.97Å; A386-Y405 VanDerWaalsContact C-OH 3.25Å; A386-Y405 HydrophobicContact CB-CD1 4.25Å; A386-Y405 HydrophobicContact CB-CD2 3.8Å; A386-Y405 HydrophobicContact CB-CE1 3.98Å; A386-Y405 HydrophobicContact CB-CE2 3.51Å; A386-Y405 HydrophobicContact CB-CG 4.16Å; A386-Y405 PolarHBondContact O-OH 3.27Å; A387-Y405 WeakPolarHBondContact CA-OH 3.24Å; A387-Y405 HydrophobicContact CB-CE1 4.19Å; A387-Y405 PolarHBondContact N-OH 3.09Å; D390-Y405 PolarHBondContact OD2-OH 2.95Å; Y405-A409 HydrophobicContact CD1-CB 3.93Å; Y405-K417 HydrophobicContact CD1-CD 4.18Å; Y405-K417 HydrophobicContact CD1-CG 4.12Å; Y405-K417 HydrophobicContact CD2-CD 4.14Å; Y405-K417 HydrophobicContact CE1-CB 3.93Å; Y405-K417 HydrophobicContact CE1-CD 3.93Å; Y405-K417 HydrophobicContact CE1-CG 3.64Å; Y405-K417 HydrophobicContact CE2-CD 3.87Å; Y405-K417 HydrophobicContact CE2-CG 4.44Å; Y405-K417 HydrophobicContact CG-CD 4.29Å
406Y92Very high91.1Very high31 Ų3153.7 Ų53.712%0.12229%0.29CS..  trans-123.7163.8176.8-65.7-90000110.8R281 A379 F382 T383 E404R281-Y406 HydrophobicContact CB-CE1 3.99Å; R281-Y406 WeakPolarHBondContact CD-OH 3.5Å; R281-Y406 PolarHBondContact NH1-OH 3.36Å; A379-Y406 HydrophobicContact CB-CD2 4.44Å; A379-Y406 HydrophobicContact CB-CG 4.07Å; F382-Y406 HydrophobicContact CB-CD2 3.73Å; F382-Y406 HydrophobicContact CB-CE2 3.57Å; F382-Y406 AromaticContact CD2-CE2 3.9Å; F382-Y406 HydrophobicContact CD2-CE2 3.9Å; F382-Y406 HydrophobicContact CG-CD2 4.43Å; F382-Y406 AromaticContact CG-CE2 3.81Å; F382-Y406 HydrophobicContact CG-CE2 3.81Å; T383-Y406 PolarHBondContact OG1-N 3.18Å; E404-Y406 HydrophobicContact CB-CE2 3.71Å; E404-Y406 PolarHBondContact OE2-OH 2.97Å
407G88.5Confident90.9Very high15 Ų1552.8 Ų52.816%0.15528%0.284CS..G310 helixtrans65.1-148.7177.800000112.2A409 S410G407-A409 PolarHBondContact O-N 3.08Å; G407-S410 PolarHBondContact O-N 3.22Å; G407-S410 VanDerWaalsContact O-N 3.12Å; G407-S410 PolarHBondContact O-OG 2.76Å
408P89Confident90.7Very high34 Ų3455 Ų5522%0.22129%0.291CS..G310 helixtrans-59.9-29.5-177.822.6-31.9000112.3I265 L266 C269 S410 S411 W412I265-P408 HydrophobicContact CG2-CB 4.2Å; I265-P408 HydrophobicContact CG2-CG 3.79Å; L266-P408 HydrophobicContact CD2-CG 3.83Å; C269-P408 HydrophobicContact CB-CG 4.17Å; C269-P408 WeakPolarHBondContact SG-CD 3.5Å; P408-S410 PolarHBondContact O-N 3.44Å; P408-S411 PolarHBondContact O-N 3.47Å; P408-S411 PolarHBondContact O-OG 3.11Å; P408-S411 VanDerWaalsContact O-OG 3.09Å; P408-W412 HydrophobicContact CB-CZ2 4.37Å; P408-W412 PolarHBondContact O-NE1 3.47Å; P408-W412 VanDerWaalsContact O-NE1 3.12Å
409A91.7Very high90.5Very high0 Ų054.2 Ų54.20%029%0.287CS..G310 helixtrans-68.3-15179.600000114.3L266 T383 Y405 G407 S411 W412 K417L266-A409 HydrophobicContact CD1-CB 4.29Å; L266-A409 HydrophobicContact CD2-CB 3.66Å; T383-A409 HydrophobicContact CG2-CB 3.74Å; Y405-A409 HydrophobicContact CD1-CB 3.93Å; G407-A409 PolarHBondContact O-N 3.08Å; A409-S411 VanDerWaalsContact C-N 3.29Å; A409-S411 PolarHBondContact O-N 3.03Å; A409-W412 HydrophobicContact CB-CD2 3.96Å; A409-W412 HydrophobicContact CB-CE3 3.81Å; A409-W412 HydrophobicContact CB-CH2 4.24Å; A409-W412 HydrophobicContact CB-CZ2 4.39Å; A409-W412 HydrophobicContact CB-CZ3 3.98Å; A409-W412 PolarHBondContact O-N 2.78Å; A409-K417 WeakPolarHBondContact O-CE 3.19Å
410S91.3Very high90.5Very high69 Ų6953.5 Ų53.548%0.48328%0.283SS..G310 helixtrans-63.9-36.7177.264.60000112G407 P408 K417G407-S410 PolarHBondContact O-N 3.22Å; G407-S410 VanDerWaalsContact O-N 3.12Å; G407-S410 PolarHBondContact O-OG 2.76Å; P408-S410 PolarHBondContact O-N 3.44Å; S410-K417 PolarHBondContact O-NZ 3.13Å; S410-K417 VanDerWaalsContact O-NZ 3.09Å
411S87.4Confident90.8Very high102 Ų10246.6 Ų46.671%0.71325%0.253SS*.G310 helixtrans-88.6-5.3-178.959.40000114.4P408 A409P408-S411 PolarHBondContact O-N 3.47Å; P408-S411 PolarHBondContact O-OG 3.11Å; P408-S411 VanDerWaalsContact O-OG 3.09Å; A409-S411 VanDerWaalsContact C-N 3.29Å; A409-S411 PolarHBondContact O-N 3.03Å
412W87.3Confident90.9Very high22 Ų2240.4 Ų40.48%0.08323%0.226CC..SBendtrans-68.1146.4-178.9-66.9-3000112.5D262 L266 P408 A409 R416 K417 L420D262-W412 HydrophobicContact CB-CH2 3.52Å; D262-W412 HydrophobicContact CB-CZ2 4.35Å; D262-W412 HydrophobicContact CB-CZ3 3.81Å; L266-W412 HydrophobicContact CD1-CH2 3.7Å; L266-W412 HydrophobicContact CD1-CZ3 4.02Å; L266-W412 HydrophobicContact CD2-CH2 4.3Å; L266-W412 HydrophobicContact CG-CH2 3.76Å; L266-W412 HydrophobicContact CG-CZ2 4.34Å; P408-W412 HydrophobicContact CB-CZ2 4.37Å; P408-W412 PolarHBondContact O-NE1 3.47Å; P408-W412 VanDerWaalsContact O-NE1 3.12Å; A409-W412 HydrophobicContact CB-CD2 3.96Å; A409-W412 HydrophobicContact CB-CE3 3.81Å; A409-W412 HydrophobicContact CB-CH2 4.24Å; A409-W412 HydrophobicContact CB-CZ2 4.39Å; A409-W412 HydrophobicContact CB-CZ3 3.98Å; A409-W412 PolarHBondContact O-N 2.78Å; W412-R416 HydrophobicContact CB-CB 4.46Å; W412-R416 HydrophobicContact CD2-CG 4.22Å; W412-R416 HydrophobicContact CE3-CG 3.99Å; W412-R416 HydrophobicContact CG-CG 4.46Å; W412-K417 HydrophobicContact CB-CG 3.98Å; W412-K417 WeakPolarHBondContact O-CE 3.38Å; W412-K417 PolarHBondContact O-NZ 2.9Å; W412-L420 HydrophobicContact CZ3-CB 4.47Å; W412-L420 HydrophobicContact CZ3-CD2 3.9Å
413A83.7Confident91.1Very high70 Ų7034.1 Ų34.158%0.57920%0.203SC*.  trans-59.1149.9168.900000111.3A415 R416 K417A413-A415 VanDerWaalsContact C-N 3.28Å; A413-A415 PolarHBondContact O-N 2.93Å; A413-R416 PolarHBondContact O-N 2.61Å; A413-K417 PolarHBondContact O-N 2.87Å; A413-K417 VanDerWaalsContact O-N 3.11Å
414S83.3Confident91.4Very high71 Ų7133.3 Ų33.350%0.49719%0.194SC..Hα-helixtrans-59.3-35.6-177-57.70000113.3K417 R418S414-K417 WeakPolarHBondContact O-CB 3.45Å; S414-K417 PolarHBondContact O-N 3.09Å; S414-R418 VanDerWaalsContact O-CG 3.32Å; S414-R418 WeakPolarHBondContact O-CG 3.29Å; S414-R418 PolarHBondContact O-N 2.86Å
415A82.2Confident91.5Very high9 Ų930.4 Ų30.47%0.07418%0.18CC..Hα-helixtrans-62.1-47.9176.600000111.9A129 A413 K417 R418 C419A129-A415 HydrophobicContact CB-CB 3.96Å; A413-A415 VanDerWaalsContact C-N 3.28Å; A413-A415 PolarHBondContact O-N 2.93Å; A415-K417 VanDerWaalsContact C-N 3.33Å; A415-K417 PolarHBondContact O-N 3.41Å; A415-R418 PolarHBondContact O-N 3.04Å; A415-C419 PolarHBondContact O-N 3.4Å; A415-C419 PolarHBondContact O-SG 2.57Å; A415-C419 VanDerWaalsContact O-SG 3.39Å
416R88.8Confident91.7Very high81 Ų8131.1 Ų31.131%0.30619%0.185SC..Hα-helixtrans-59.7-42.1176.6-172.4175.4-179.3175.4-0.7112.1D262 W412 A413 R418 C419 L420D262-R416 VanDerWaalsContact CG-NE 3.32Å; D262-R416 IonicContact OD1-CZ 2.62Å; D262-R416 IonicContact OD1-NE 3.32Å; D262-R416 PolarHBondContact OD1-NE 3.01Å; D262-R416 IonicContact OD1-NH2 3.82Å; D262-R416 PolarHBondContact OD1-NH2 3.42Å; D262-R416 WeakPolarHBondContact OD2-CG 3.45Å; D262-R416 IonicContact OD2-CZ 2.62Å; D262-R416 IonicContact OD2-NE 3.11Å; D262-R416 PolarHBondContact OD2-NE 3.23Å; W412-R416 HydrophobicContact CB-CB 4.46Å; W412-R416 HydrophobicContact CD2-CG 4.22Å; W412-R416 HydrophobicContact CE3-CG 3.99Å; W412-R416 HydrophobicContact CG-CG 4.46Å; A413-R416 PolarHBondContact O-N 2.61Å; R416-R418 VanDerWaalsContact C-N 3.31Å; R416-R418 PolarHBondContact O-N 3.36Å; R416-C419 WeakPolarHBondContact O-CB 3.48Å; R416-C419 PolarHBondContact O-N 3.49Å; R416-L420 PolarHBondContact O-N 3.19Å
417K92.2Very high92Very high28 Ų2832.3 Ų32.312%0.12219%0.191CC..Hα-helixtrans-58.9-39.5173.7-74.5169.6169.7153.90112.7Y405 A409 S410 W412 A413 S414 A415 G421Y405-K417 HydrophobicContact CD1-CD 4.18Å; Y405-K417 HydrophobicContact CD1-CG 4.12Å; Y405-K417 HydrophobicContact CD2-CD 4.14Å; Y405-K417 HydrophobicContact CE1-CB 3.93Å; Y405-K417 HydrophobicContact CE1-CD 3.93Å; Y405-K417 HydrophobicContact CE1-CG 3.64Å; Y405-K417 HydrophobicContact CE2-CD 3.87Å; Y405-K417 HydrophobicContact CE2-CG 4.44Å; Y405-K417 HydrophobicContact CG-CD 4.29Å; A409-K417 WeakPolarHBondContact O-CE 3.19Å; S410-K417 PolarHBondContact O-NZ 3.13Å; S410-K417 VanDerWaalsContact O-NZ 3.09Å; W412-K417 HydrophobicContact CB-CG 3.98Å; W412-K417 WeakPolarHBondContact O-CE 3.38Å; W412-K417 PolarHBondContact O-NZ 2.9Å; A413-K417 PolarHBondContact O-N 2.87Å; A413-K417 VanDerWaalsContact O-N 3.11Å; S414-K417 WeakPolarHBondContact O-CB 3.45Å; S414-K417 PolarHBondContact O-N 3.09Å; A415-K417 VanDerWaalsContact C-N 3.33Å; A415-K417 PolarHBondContact O-N 3.41Å; K417-G421 PolarHBondContact O-N 3.26Å; K417-G421 VanDerWaalsContact O-N 3.13Å
418R93.9Very high92.4Very high62 Ų6231.6 Ų31.623%0.23418%0.183CC..Hα-helixtrans-73.7-37176.9-68.1-174.5-49.4-107.4-0.5112.6E245 D390 S414 A415 R416 L420 G421 A422E245-R418 HydrophobicContact CB-CB 4.41Å; E245-R418 VanDerWaalsContact CD-NE 3.3Å; E245-R418 HydrophobicContact CG-CB 4.23Å; E245-R418 IonicContact OE1-CZ 3.25Å; E245-R418 IonicContact OE1-NE 2.69Å; E245-R418 PolarHBondContact OE1-NE 3.05Å; E245-R418 VanDerWaalsContact OE1-NE 3.15Å; E245-R418 IonicContact OE1-NH2 2.99Å; E245-R418 PolarHBondContact OE1-NH2 3.23Å; E245-R418 WeakPolarHBondContact OE2-CB 3.38Å; E245-R418 IonicContact OE2-CZ 2.69Å; E245-R418 IonicContact OE2-NE 2.67Å; E245-R418 PolarHBondContact OE2-NE 3.34Å; E245-R418 IonicContact OE2-NH2 3.76Å; D390-R418 HydrophobicContact CB-CG 4.01Å; D390-R418 WeakPolarHBondContact O-CD 3.11Å; S414-R418 VanDerWaalsContact O-CG 3.32Å; S414-R418 WeakPolarHBondContact O-CG 3.29Å; S414-R418 PolarHBondContact O-N 2.86Å; A415-R418 PolarHBondContact O-N 3.04Å; R416-R418 VanDerWaalsContact C-N 3.31Å; R416-R418 PolarHBondContact O-N 3.36Å; R418-L420 PolarHBondContact O-N 3.17Å; R418-G421 PolarHBondContact O-N 2.92Å; R418-G421 VanDerWaalsContact O-N 3.16Å; R418-A422 PolarHBondContact O-N 2.94Å
419C92.6Very high92.8Very high8 Ų830.6 Ų30.65%0.05418%0.176CC..Hα-helixtrans-56.9-48.2170.4-67.30000111.4E245 S259 A415 R416 G421 A422 L423E245-C419 VanDerWaalsContact CG-SG 3.58Å; S259-C419 WeakPolarHBondContact OG-CB 3.44Å; S259-C419 PolarHBondContact OG-O 2.98Å; A415-C419 PolarHBondContact O-N 3.4Å; A415-C419 PolarHBondContact O-SG 2.57Å; A415-C419 VanDerWaalsContact O-SG 3.39Å; R416-C419 WeakPolarHBondContact O-CB 3.48Å; R416-C419 PolarHBondContact O-N 3.49Å; C419-G421 VanDerWaalsContact C-N 3.3Å; C419-G421 PolarHBondContact O-N 2.75Å; C419-A422 PolarHBondContact O-N 3.2Å; C419-A422 VanDerWaalsContact O-N 3.16Å; C419-L423 PolarHBondContact O-N 3.15Å
420L95.9Very high93Very high0 Ų035.1 Ų35.10%020%0.197CC..Hα-helixtrans-56.8-45.4174.2176.568.8000111.4L263 L266 A387 W412 R416 R418 A422 L423 L424L263-L420 HydrophobicContact CB-CD1 4.07Å; L263-L420 HydrophobicContact CD1-CD1 4.34Å; L266-L420 HydrophobicContact CD1-CD1 4.38Å; L266-L420 HydrophobicContact CD1-CD2 3.36Å; A387-L420 HydrophobicContact CB-CB 4.46Å; A387-L420 HydrophobicContact CB-CD2 3.9Å; A387-L420 HydrophobicContact CB-CG 4.09Å; W412-L420 HydrophobicContact CZ3-CB 4.47Å; W412-L420 HydrophobicContact CZ3-CD2 3.9Å; R416-L420 PolarHBondContact O-N 3.19Å; R418-L420 PolarHBondContact O-N 3.17Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.33Å; L420-L423 PolarHBondContact O-N 3.48Å; L420-L424 HydrophobicContact CD1-CD1 4.4Å; L420-L424 HydrophobicContact CD1-CG 4.36Å; L420-L424 HydrophobicContact CG-CD1 4.04Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.41Å; L420-L424 VanDerWaalsContact O-CG 3.27Å; L420-L424 WeakPolarHBondContact O-CG 3.15Å; L420-L424 PolarHBondContact O-N 2.77Å
421G97.8Very high93.3Very high0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-59.8-41176.900000113.4A387 K417 R418 C419 L424 L425A387-G421 VanDerWaalsContact O-CA 3.28Å; A387-G421 WeakPolarHBondContact O-CA 3.41Å; K417-G421 PolarHBondContact O-N 3.26Å; K417-G421 VanDerWaalsContact O-N 3.13Å; R418-G421 PolarHBondContact O-N 2.92Å; R418-G421 VanDerWaalsContact O-N 3.16Å; C419-G421 VanDerWaalsContact C-N 3.3Å; C419-G421 PolarHBondContact O-N 2.75Å; G421-L424 PolarHBondContact O-N 2.68Å; G421-L425 WeakPolarHBondContact O-CG 3.42Å; G421-L425 PolarHBondContact O-N 3.07Å
422A96.9Very high93.8Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-65.1-43.9177.400000111.9L246 L249 R418 C419 L420 L424 L425 Q426L246-A422 HydrophobicContact CB-CB 4.22Å; L246-A422 HydrophobicContact CD1-CB 4.01Å; L249-A422 HydrophobicContact CB-CB 4.42Å; L249-A422 VanDerWaalsContact CD2-C 3.49Å; L249-A422 HydrophobicContact CD2-CB 3.68Å; L249-A422 VanDerWaalsContact CD2-O 3.27Å; L249-A422 WeakPolarHBondContact CD2-O 3.03Å; R418-A422 PolarHBondContact O-N 2.94Å; C419-A422 PolarHBondContact O-N 3.2Å; C419-A422 VanDerWaalsContact O-N 3.16Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.33Å; A422-L424 PolarHBondContact O-N 3.47Å; A422-L425 PolarHBondContact O-N 3.05Å; A422-Q426 PolarHBondContact O-N 2.81Å
423L97.3Very high94.2Very high2 Ų230.5 Ų30.51%0.0116%0.16CC..Hα-helixtrans-58.8-48.2172.5176.269.1000111.6T256 S259 E260 L263 C419 L420 L425 Q426 K427T256-L423 HydrophobicContact CG2-CD1 3.96Å; S259-L423 WeakPolarHBondContact O-CD2 3.12Å; E260-L423 HydrophobicContact CB-CD2 4.4Å; E260-L423 HydrophobicContact CG-CD1 3.96Å; E260-L423 HydrophobicContact CG-CD2 3.74Å; L263-L423 HydrophobicContact CB-CD2 4.36Å; L263-L423 HydrophobicContact CD2-CD2 4.29Å; C419-L423 PolarHBondContact O-N 3.15Å; L420-L423 PolarHBondContact O-N 3.48Å; L423-L425 VanDerWaalsContact C-N 3.26Å; L423-L425 PolarHBondContact O-N 3.12Å; L423-Q426 PolarHBondContact O-N 3.12Å; L423-Q426 VanDerWaalsContact O-N 3.16Å; L423-K427 HydrophobicContact CD1-CG 4.37Å; L423-K427 HydrophobicContact CG-CD 4.43Å; L423-K427 PolarHBondContact O-N 3.29Å
424L98.1Very high94.7Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-58.1-41.8179.5-75.3175.1000110.7L263 W373 R384 A387 V388 L420 G421 A422 K427 A428L263-L424 HydrophobicContact CD1-CD2 4.11Å; L263-L424 HydrophobicContact CD2-CD2 4.45Å; W373-L424 HydrophobicContact CH2-CB 3.64Å; W373-L424 HydrophobicContact CH2-CD1 4.43Å; W373-L424 HydrophobicContact CH2-CD2 4.05Å; W373-L424 HydrophobicContact CH2-CG 4.25Å; W373-L424 HydrophobicContact CZ2-CB 3.74Å; W373-L424 HydrophobicContact CZ2-CD2 3.69Å; W373-L424 HydrophobicContact CZ2-CG 4.26Å; W373-L424 VanDerWaalsContact CZ2-O 3.32Å; W373-L424 WeakPolarHBondContact CZ2-O 3.42Å; R384-L424 HydrophobicContact CB-CD1 4.09Å; R384-L424 HydrophobicContact CG-CD1 4.15Å; A387-L424 HydrophobicContact CB-CD1 3.98Å; V388-L424 HydrophobicContact CG2-CB 3.89Å; V388-L424 HydrophobicContact CG2-CD1 4.21Å; L420-L424 HydrophobicContact CD1-CD1 4.4Å; L420-L424 HydrophobicContact CD1-CG 4.36Å; L420-L424 HydrophobicContact CG-CD1 4.04Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.41Å; L420-L424 VanDerWaalsContact O-CG 3.27Å; L420-L424 WeakPolarHBondContact O-CG 3.15Å; L420-L424 PolarHBondContact O-N 2.77Å; G421-L424 PolarHBondContact O-N 2.68Å; A422-L424 PolarHBondContact O-N 3.47Å; L424-K427 PolarHBondContact O-N 2.91Å; L424-A428 VanDerWaalsContact O-CB 3.25Å; L424-A428 WeakPolarHBondContact O-CB 3.35Å; L424-A428 PolarHBondContact O-N 2.8Å
425L98.3Very high95.3Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-63.1-43175-76.1161.2000113.1L246 L315 F318 I322 V388 A391 I392 G421 A422 L423 A428 M429L246-L425 HydrophobicContact CD1-CD1 4.14Å; L246-L425 HydrophobicContact CD2-CD1 3.51Å; L315-L425 HydrophobicContact CD1-CB 4.42Å; F318-L425 HydrophobicContact CE1-CD2 4.19Å; I322-L425 HydrophobicContact CD1-CD2 3.76Å; V388-L425 HydrophobicContact CG1-CD1 4.22Å; V388-L425 HydrophobicContact CG1-CD2 3.7Å; V388-L425 HydrophobicContact CG1-CG 3.91Å; A391-L425 HydrophobicContact CB-CD1 4.06Å; I392-L425 HydrophobicContact CD1-CD1 4.33Å; I392-L425 HydrophobicContact CD1-CD2 4Å; I392-L425 HydrophobicContact CG1-CD1 3.77Å; I392-L425 HydrophobicContact CG1-CD2 4.36Å; G421-L425 WeakPolarHBondContact O-CG 3.42Å; G421-L425 PolarHBondContact O-N 3.07Å; A422-L425 PolarHBondContact O-N 3.05Å; L423-L425 VanDerWaalsContact C-N 3.26Å; L423-L425 PolarHBondContact O-N 3.12Å; L425-A428 PolarHBondContact O-N 3.03Å; L425-M429 WeakPolarHBondContact O-CB 3.45Å; L425-M429 PolarHBondContact O-N 3.24Å
426Q97.5Very high95.8Very high49 Ų4938.2 Ų38.223%0.22919%0.186CC..Hα-helixtrans-61.3-45.4175.9-172.7-169.455.600111.6L249 L315 A422 L423 M429 Q430L249-Q426 HydrophobicContact CD2-CB 4.17Å; L315-Q426 HydrophobicContact CD1-CB 4.45Å; A422-Q426 PolarHBondContact O-N 2.81Å; L423-Q426 PolarHBondContact O-N 3.12Å; L423-Q426 VanDerWaalsContact O-N 3.16Å; Q426-M429 PolarHBondContact O-N 3.43Å; Q426-Q430 WeakPolarHBondContact O-CG 3.35Å; Q426-Q430 PolarHBondContact O-N 2.96Å; Q426-Q430 VanDerWaalsContact O-N 3.13Å
427K97.3Very high96Very high57 Ų5736.2 Ų36.225%0.24818%0.18CC..Hα-helixtrans-65.6-40.5176.3-67.2-168.7-171.9-67.50111.6E260 L263 L423 L424 Q430 I431E260-K427 IonicContact OE1-NZ 3.69Å; E260-K427 PolarHBondContact OE1-NZ 3.38Å; L263-K427 HydrophobicContact CD2-CD 4.32Å; L423-K427 HydrophobicContact CD1-CG 4.37Å; L423-K427 HydrophobicContact CG-CD 4.43Å; L423-K427 PolarHBondContact O-N 3.29Å; L424-K427 PolarHBondContact O-N 2.91Å; K427-Q430 PolarHBondContact O-N 2.9Å; K427-I431 WeakPolarHBondContact O-CG1 3.4Å; K427-I431 PolarHBondContact O-N 2.84Å; K427-I431 VanDerWaalsContact O-N 3.12Å
428A97.9Very high96Very high0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-62.8-41.617600000112.4F292 F318 F370 V372 W373 L424 L425 Q430 I431 F432F292-A428 HydrophobicContact CE2-CB 3.62Å; F292-A428 HydrophobicContact CZ-CB 4.16Å; F318-A428 HydrophobicContact CE1-CB 3.96Å; F318-A428 HydrophobicContact CZ-CB 4.02Å; F370-A428 HydrophobicContact CE1-CB 4.44Å; F370-A428 WeakPolarHBondContact CE1-O 3.38Å; V372-A428 HydrophobicContact CG2-CB 4.34Å; W373-A428 HydrophobicContact CH2-CB 4.39Å; W373-A428 HydrophobicContact CZ2-CB 3.99Å; L424-A428 VanDerWaalsContact O-CB 3.25Å; L424-A428 WeakPolarHBondContact O-CB 3.35Å; L424-A428 PolarHBondContact O-N 2.8Å; L425-A428 PolarHBondContact O-N 3.03Å; A428-Q430 VanDerWaalsContact C-N 3.35Å; A428-Q430 PolarHBondContact O-N 3.47Å; A428-I431 PolarHBondContact O-N 3.21Å; A428-F432 WeakPolarHBondContact O-CB 3.44Å; A428-F432 PolarHBondContact O-N 3.4Å
429M97.7Very high96.1Very high13 Ų1341.8 Ų41.86%0.06421%0.206CC..Hα-helixtrans-60.6-44175.3178.6-153.968.300111.4K314 L315 F318 L425 Q426 I431 F432 I433K314-M429 HydrophobicContact CB-CE 4.35Å; K314-M429 HydrophobicContact CB-SD 3.52Å; K314-M429 VanDerWaalsContact CB-SD 3.52Å; L315-M429 WeakPolarHBondContact CA-SD 3.49Å; L315-M429 HydrophobicContact CB-SD 3.82Å; L315-M429 HydrophobicContact CD1-CB 4.39Å; L315-M429 HydrophobicContact CD1-SD 4.12Å; L315-M429 PolarHBondContact N-SD 3.39Å; F318-M429 HydrophobicContact CB-CB 4.21Å; F318-M429 HydrophobicContact CB-CG 3.84Å; F318-M429 HydrophobicContact CD1-CB 3.59Å; F318-M429 HydrophobicContact CD1-CG 4.2Å; F318-M429 HydrophobicContact CD2-CB 4.43Å; F318-M429 HydrophobicContact CE1-CB 3.99Å; F318-M429 HydrophobicContact CG-CB 3.82Å; F318-M429 HydrophobicContact CG-CG 3.95Å; L425-M429 WeakPolarHBondContact O-CB 3.45Å; L425-M429 PolarHBondContact O-N 3.24Å; Q426-M429 PolarHBondContact O-N 3.43Å; M429-I431 VanDerWaalsContact C-N 3.31Å; M429-I431 PolarHBondContact O-N 3.49Å; M429-F432 WeakPolarHBondContact O-CB 3.47Å; M429-F432 PolarHBondContact O-N 2.93Å; M429-I433 HydrophobicContact CE-CD1 4.33Å; M429-I433 HydrophobicContact CG-CD1 3.98Å; M429-I433 WeakPolarHBondContact O-CG1 3.3Å; M429-I433 PolarHBondContact O-N 3.49Å; M429-I433 HydrophobicContact SD-CD1 4.38Å
430Q96.6Very high96.2Very high94 Ų9442.5 Ų42.544%0.43921%0.208SC..Hα-helixtrans-59.7-43.6176.9-70.6169.1-3.500111.3Q426 K427 A428 L434Q426-Q430 WeakPolarHBondContact O-CG 3.35Å; Q426-Q430 PolarHBondContact O-N 2.96Å; Q426-Q430 VanDerWaalsContact O-N 3.13Å; K427-Q430 PolarHBondContact O-N 2.9Å; A428-Q430 VanDerWaalsContact C-N 3.35Å; A428-Q430 PolarHBondContact O-N 3.47Å; Q430-L434 WeakPolarHBondContact O-CG 3.31Å; Q430-L434 PolarHBondContact O-N 3.21Å
431I96.7Very high96.2Very high53 Ų5345.2 Ų45.227%0.27222%0.22SC..Hα-helixtrans-63-45.6174.7-63.5165000110.5F370 V372 K427 A428 M429 I433 L434 E435F370-I431 HydrophobicContact CE2-CG2 4.02Å; F370-I431 HydrophobicContact CZ-CB 4.09Å; F370-I431 HydrophobicContact CZ-CG2 3.79Å; V372-I431 HydrophobicContact CG2-CD1 3.74Å; K427-I431 WeakPolarHBondContact O-CG1 3.4Å; K427-I431 PolarHBondContact O-N 2.84Å; K427-I431 VanDerWaalsContact O-N 3.12Å; A428-I431 PolarHBondContact O-N 3.21Å; M429-I431 VanDerWaalsContact C-N 3.31Å; M429-I431 PolarHBondContact O-N 3.49Å; I431-I433 VanDerWaalsContact C-N 3.33Å; I431-I433 PolarHBondContact O-N 3.12Å; I431-L434 PolarHBondContact O-N 3.01Å; I431-E435 HydrophobicContact CG2-CG 3.97Å; I431-E435 WeakPolarHBondContact CG2-OE1 3.36Å; I431-E435 PolarHBondContact O-N 3.44Å
432F97.1Very high96Very high1 Ų147.7 Ų47.70%0.00423%0.232CC..Hα-helixtrans-59.6-41.4-179.5-175-116.2000112.9I294 L302 P303 F318 V368 F370 A428 M429 L434 G436 Q437I294-F432 HydrophobicContact CD1-CD2 4.14Å; I294-F432 HydrophobicContact CD1-CE1 4.43Å; I294-F432 HydrophobicContact CD1-CE2 3.79Å; I294-F432 HydrophobicContact CD1-CZ 3.94Å; I294-F432 HydrophobicContact CG2-CZ 4.46Å; L302-F432 HydrophobicContact CB-CE1 4.2Å; L302-F432 HydrophobicContact CD2-CD1 4.34Å; L302-F432 HydrophobicContact CD2-CE1 4.47Å; P303-F432 HydrophobicContact CG-CD1 4.2Å; P303-F432 HydrophobicContact CG-CE1 4.05Å; P303-F432 HydrophobicContact CG-CZ 4.44Å; P303-F432 WeakPolarHBondContact CG-O 3.31Å; F318-F432 HydrophobicContact CD2-CB 4.26Å; F318-F432 AromaticContact CD2-CD1 3.64Å; F318-F432 HydrophobicContact CD2-CD1 3.64Å; F318-F432 HydrophobicContact CD2-CE1 4.22Å; F318-F432 HydrophobicContact CD2-CG 4.08Å; F318-F432 HydrophobicContact CE2-CB 3.69Å; F318-F432 AromaticContact CE2-CD1 3.71Å; F318-F432 HydrophobicContact CE2-CD1 3.71Å; F318-F432 HydrophobicContact CE2-CD2 4.32Å; F318-F432 HydrophobicContact CE2-CE1 4.4Å; F318-F432 AromaticContact CE2-CG 3.64Å; F318-F432 HydrophobicContact CE2-CG 3.64Å; F318-F432 HydrophobicContact CZ-CB 4.37Å; V368-F432 HydrophobicContact CG1-CE2 3.97Å; V368-F432 HydrophobicContact CG1-CZ 4.37Å; F370-F432 HydrophobicContact CB-CD2 4.23Å; F370-F432 HydrophobicContact CB-CE2 4.32Å; F370-F432 HydrophobicContact CD1-CB 4.15Å; F370-F432 AromaticContact CD1-CD2 3.67Å; F370-F432 HydrophobicContact CD1-CD2 3.67Å; F370-F432 HydrophobicContact CD1-CE2 4.47Å; F370-F432 HydrophobicContact CD1-CG 4.21Å; F370-F432 AromaticContact CD2-CD2 3.93Å; F370-F432 HydrophobicContact CD2-CD2 3.93Å; F370-F432 HydrophobicContact CE1-CB 3.65Å; F370-F432 HydrophobicContact CE1-CD2 4.03Å; F370-F432 HydrophobicContact CE1-CG 4.22Å; F370-F432 HydrophobicContact CE2-CB 4.38Å; F370-F432 HydrophobicContact CE2-CD2 4.23Å; F370-F432 AromaticContact CG-CD2 3.67Å; F370-F432 HydrophobicContact CG-CD2 3.67Å; F370-F432 HydrophobicContact CG-CE2 4.26Å; F370-F432 HydrophobicContact CZ-CB 3.78Å; F370-F432 HydrophobicContact CZ-CD2 4.3Å; A428-F432 WeakPolarHBondContact O-CB 3.44Å; A428-F432 PolarHBondContact O-N 3.4Å; M429-F432 WeakPolarHBondContact O-CB 3.47Å; M429-F432 PolarHBondContact O-N 2.93Å; F432-L434 VanDerWaalsContact C-N 3.27Å; F432-L434 PolarHBondContact O-N 3.39Å; F432-G436 PolarHBondContact O-N 3.43Å; F432-Q437 HydrophobicContact CE2-CB 4.46Å; F432-Q437 HydrophobicContact CZ-CB 4.02Å; F432-Q437 HydrophobicContact CZ-CG 3.98Å
433I96.6Very high95.7Very high43 Ų4353.9 Ų53.922%0.22126%0.261CS..Hα-helixtrans-63.5-35.6176.2-69.4166.6000111.1A306 K314 M429 I431A306-I433 HydrophobicContact CB-CB 4.49Å; A306-I433 HydrophobicContact CB-CD1 3.99Å; A306-I433 HydrophobicContact CB-CG1 4.02Å; A306-I433 HydrophobicContact CB-CG2 3.64Å; K314-I433 HydrophobicContact CB-CD1 4.48Å; K314-I433 HydrophobicContact CD-CD1 4.25Å; K314-I433 HydrophobicContact CG-CD1 4.39Å; M429-I433 HydrophobicContact CE-CD1 4.33Å; M429-I433 HydrophobicContact CG-CD1 3.98Å; M429-I433 WeakPolarHBondContact O-CG1 3.3Å; M429-I433 PolarHBondContact O-N 3.49Å; M429-I433 HydrophobicContact SD-CD1 4.38Å; I431-I433 VanDerWaalsContact C-N 3.33Å; I431-I433 PolarHBondContact O-N 3.12Å
434L95.2Very high95.4Very high152 Ų15256.4 Ų56.480%0.79627%0.274SS*.Hα-helixtrans-80.2-39.4-179.6-67.6172000113.2Q430 I431 F432Q430-L434 WeakPolarHBondContact O-CG 3.31Å; Q430-L434 PolarHBondContact O-N 3.21Å; I431-L434 PolarHBondContact O-N 3.01Å; F432-L434 VanDerWaalsContact C-N 3.27Å; F432-L434 PolarHBondContact O-N 3.39Å
435E94Very high95Very high130 Ų13056.5 Ų56.561%0.60727%0.274SS*.Hα-helixtrans-77-23.4-179.4-70.7-171.7-176.900113F370 I431F370-E435 WeakPolarHBondContact CE2-OE2 3.36Å; I431-E435 HydrophobicContact CG2-CG 3.97Å; I431-E435 WeakPolarHBondContact CG2-OE1 3.36Å; I431-E435 PolarHBondContact O-N 3.44Å
436G93.2Very high94Very high29 Ų2959.6 Ų59.630%0.29929%0.293SS..  trans83.5175-176.700000113.3F432F432-G436 PolarHBondContact O-N 3.43Å
437Q92.9Very high92.3Very high40 Ų4062.2 Ų62.219%0.18732%0.317CS..  trans-106.7117.5-177.5-174.6175.5-60.900111.1S299 N301 P303 V368 F432S299-Q437 PolarHBondContact OG-NE2 2.69Å; S299-Q437 PolarHBondContact OG-OE1 2.91Å; N301-Q437 WeakPolarHBondContact OD1-CB 3.33Å; P303-Q437 HydrophobicContact CG-CB 4.17Å; V368-Q437 HydrophobicContact CG1-CG 4.25Å; V368-Q437 HydrophobicContact CG2-CG 3.46Å; V368-Q437 VanDerWaalsContact CG2-CG 3.46Å; F432-Q437 HydrophobicContact CE2-CB 4.46Å; F432-Q437 HydrophobicContact CZ-CB 4.02Å; F432-Q437 HydrophobicContact CZ-CG 3.98Å
438R93.7Very high90.2Very high172 Ų17265.8 Ų65.865%0.64934%0.343SS*.  trans-113.6121.2171.4-176.9177.2176.7176.40.3111.1
439C94.7Very high89.8Confident35 Ų3569.1 Ų69.124%0.23636%0.361CS..EExtended strand (participates in β ladder)trans-87.9142172.8-61.90000110.8
440F95.4Very high89.4Confident23 Ų2372.1 Ų72.110%0.10138%0.376CS..EExtended strand (participates in β ladder)trans-110.7121.3171.3-66.7-88.4000109.5L334 L337 W361 G366 V367 D444L334-F440 HydrophobicContact CD1-CD1 4.13Å; L334-F440 HydrophobicContact CD1-CE1 3.72Å; L334-F440 HydrophobicContact CD1-CZ 4.27Å; L334-F440 HydrophobicContact CD2-CE1 4.2Å; L334-F440 HydrophobicContact CD2-CE2 4.23Å; L334-F440 HydrophobicContact CD2-CZ 3.99Å; L337-F440 HydrophobicContact CD1-CB 3.6Å; L337-F440 HydrophobicContact CD1-CD2 4.17Å; L337-F440 HydrophobicContact CD1-CG 3.9Å; W361-F440 PolarHBondContact NE1-O 3.07Å; G366-F440 WeakPolarHBondContact CA-O 3.49Å; V367-F440 PolarHBondContact N-O 3.3Å; V367-F440 PolarHBondContact O-N 2.87Å; F440-D444 HydrophobicContact CD1-CB 4.31Å
441H94.8Very high89Confident57 Ų5770.8 Ų70.826%0.26437%0.373SS..  trans-89.7165.9172.2-64.577.1000110.1G364 H443 D444G364-H441 PolarHBondContact O-NE2 3.39Å; H441-H443 WeakPolarHBondContact CB-CE1 3.48Å; H441-H443 AromaticContact CG-CE1 3.79Å; H441-H443 PolarHBondContact O-N 3.23Å; H441-D444 PolarHBondContact N-OD2 3.36Å; H441-D444 IonicContact ND1-OD2 2.97Å; H441-D444 WeakPolarHBondContact O-CB 3.11Å; H441-D444 PolarHBondContact O-N 2.85Å; H441-D444 VanDerWaalsContact O-N 3.1Å
442E93.3Very high88.6Confident51 Ų5171.9 Ų71.924%0.23838%0.379CS..Hα-helixtrans-58.9-37.4-178.7-177.7176.6-132.300112.3R344 W361 D444 V445 V446R344-E442 IonicContact CZ-OE1 2.81Å; R344-E442 IonicContact CZ-OE2 2.6Å; R344-E442 IonicContact NH1-OE1 2.63Å; R344-E442 PolarHBondContact NH1-OE1 3.1Å; R344-E442 IonicContact NH1-OE2 3.18Å; R344-E442 PolarHBondContact NH1-OE2 3.38Å; W361-E442 HydrophobicContact CD2-CB 3.81Å; W361-E442 HydrophobicContact CE3-CB 3.92Å; W361-E442 HydrophobicContact CE3-CG 4.15Å; W361-E442 HydrophobicContact CG-CB 4.17Å; W361-E442 HydrophobicContact CZ2-CB 4.46Å; W361-E442 HydrophobicContact CZ3-CB 4.3Å; W361-E442 HydrophobicContact CZ3-CG 4.15Å; E442-D444 PolarHBondContact O-N 3.1Å; E442-V445 WeakPolarHBondContact O-CG2 3.39Å; E442-V445 PolarHBondContact O-N 2.77Å; E442-V446 HydrophobicContact CG-CG2 4.12Å; E442-V446 VanDerWaalsContact O-CG2 3.25Å; E442-V446 WeakPolarHBondContact O-CG2 3.48Å; E442-V446 PolarHBondContact O-N 3.16Å
443H92.1Very high88Confident131 Ų13176.3 Ų76.361%0.60640%0.402SS*.Hα-helixtrans-66.7-23.8179.958.8-95.4000113.3H441 V445H441-H443 WeakPolarHBondContact CB-CE1 3.48Å; H441-H443 AromaticContact CG-CE1 3.79Å; H441-H443 PolarHBondContact O-N 3.23Å; H443-V445 PolarHBondContact O-N 3.27Å
444D91.5Very high87.5Confident54 Ų5478.5 Ų78.529%0.28941%0.414SS..Hα-helixtrans-72-19.2177.8-61.7-43.7000113.2F440 H441 E442F440-D444 HydrophobicContact CD1-CB 4.31Å; H441-D444 PolarHBondContact N-OD2 3.36Å; H441-D444 IonicContact ND1-OD2 2.97Å; H441-D444 WeakPolarHBondContact O-CB 3.11Å; H441-D444 PolarHBondContact O-N 2.85Å; H441-D444 VanDerWaalsContact O-N 3.1Å; E442-D444 PolarHBondContact O-N 3.1Å
445V88.2Confident86.9Confident2 Ų273.3 Ų73.31%0.01239%0.387CS..Hα-helixtrans-113.3-8.2-174.2-59.20000113.5L337 I338 W361 E442 H443L337-V445 HydrophobicContact CB-CB 4.35Å; L337-V445 HydrophobicContact CB-CG1 3.78Å; L337-V445 HydrophobicContact CB-CG2 4.36Å; L337-V445 HydrophobicContact CD1-CG1 4.01Å; I338-V445 HydrophobicContact CG1-CB 4.21Å; W361-V445 HydrophobicContact CH2-CG2 4.02Å; W361-V445 HydrophobicContact CZ2-CG2 3.97Å; E442-V445 WeakPolarHBondContact O-CG2 3.39Å; E442-V445 PolarHBondContact O-N 2.77Å; H443-V445 PolarHBondContact O-N 3.27Å
446V77.9Confident86.4Confident66 Ų6668.9 Ų68.940%0.437%0.37SS..Hα-helixtrans-81.6-24.1177.3172.50000111.7S341 E442 V448S341-V446 VanDerWaalsContact OG-CG2 3.29Å; S341-V446 WeakPolarHBondContact OG-CG2 3.18Å; E442-V446 HydrophobicContact CG-CG2 4.12Å; E442-V446 VanDerWaalsContact O-CG2 3.25Å; E442-V446 WeakPolarHBondContact O-CG2 3.48Å; E442-V446 PolarHBondContact O-N 3.16Å; V446-V448 VanDerWaalsContact C-N 3.34Å
447S60.7Low85.8Confident103 Ų10372.3 Ų72.372%0.7238%0.376SS*.  trans-87.83.4-179.250.40000114.5
448V54.3Low85.1Confident133 Ų13375.2 Ų75.281%0.80639%0.393SS*.  trans-109.80179.3-167.90000110I338 V446I338-V448 HydrophobicContact CD1-CB 4.37Å; I338-V448 HydrophobicContact CD1-CG1 4.35Å; V446-V448 VanDerWaalsContact C-N 3.34Å

Retrieved 448 of 448 residues in 551.1 ms (Link to these results)

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