A0A3Q0KGN7_SCHMA Loading...

Mitochondrial carrier protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KGN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 410 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
1M40.3Very low64.5Low217 Ų21796.6 Ų96.6100%1.06952%0.516SS*.  0-0.80-166.5173.513700113.3D3M1-D3 WeakPolarHBondContact CA-OD2 3.34Å; M1-D3 VanDerWaalsContact N-CG 3.27Å; M1-D3 PolarHBondContact N-OD1 2.91Å; M1-D3 PolarHBondContact N-OD2 3.02Å; M1-D3 PolarHBondContact O-N 3.19Å
2F45.5Very low65.4Low188 Ų18892.4 Ų92.483%0.82551%0.513SS*.  trans-84.420.9169.7-103.5-85.5000111.4A6F2-A6 WeakPolarHBondContact O-CB 3.49Å
3D62.1Low66.5Low100 Ų10085.8 Ų85.854%0.53548%0.479SS..  trans-107.9-17.8-133.5-63.1-11.2000116.4M1 V7M1-D3 WeakPolarHBondContact CA-OD2 3.34Å; M1-D3 VanDerWaalsContact N-CG 3.27Å; M1-D3 PolarHBondContact N-OD1 2.91Å; M1-D3 PolarHBondContact N-OD2 3.02Å; M1-D3 PolarHBondContact O-N 3.19Å; D3-V7 WeakPolarHBondContact O-CG2 3.17Å
4E65.9Low67.7Low128 Ų12885.6 Ų85.660%0.59848%0.475SS*.SBendtrans-122.1-46.8-178.6-66.9-63.3152.100112.3A6 V7 H8E4-A6 PolarHBondContact O-N 3.45Å; E4-V7 WeakPolarHBondContact O-CB 3.44Å; E4-V7 PolarHBondContact O-N 2.93Å; E4-H8 PolarHBondContact O-CD2 3.02Å; E4-H8 PolarHBondContact O-N 3.32Å
5A65.9Low68.6Low75 Ų7580.4 Ų80.462%0.6245%0.448SS*.Hα-helixtrans-65.6-42.2179.700000112.3V7 H8 V9A5-V7 VanDerWaalsContact C-N 3.31Å; A5-V7 PolarHBondContact O-N 3.17Å; A5-H8 PolarHBondContact O-N 3.48Å; A5-V9 VanDerWaalsContact O-CG2 3.28Å; A5-V9 WeakPolarHBondContact O-CG2 3.44Å; A5-V9 PolarHBondContact O-N 3.11Å
6A68.1Low69.4Low38 Ų3877.2 Ų77.231%0.31444%0.439SS..Hα-helixtrans-65.3-39177.300000111.1F2 E4 V9 I10F2-A6 WeakPolarHBondContact O-CB 3.49Å; E4-A6 PolarHBondContact O-N 3.45Å; A6-V9 PolarHBondContact O-N 2.87Å; A6-I10 WeakPolarHBondContact O-CB 3.42Å; A6-I10 WeakPolarHBondContact O-CG1 3.28Å; A6-I10 PolarHBondContact O-N 3.31Å
7V69.6Low70.4Confident19 Ų1975.8 Ų75.812%0.11543%0.432CS..Hα-helixtrans-59.7-48.9175.31640000111.3D3 E4 A5 V9 I10 G11 V395 L399D3-V7 WeakPolarHBondContact O-CG2 3.17Å; E4-V7 WeakPolarHBondContact O-CB 3.44Å; E4-V7 PolarHBondContact O-N 2.93Å; A5-V7 VanDerWaalsContact C-N 3.31Å; A5-V7 PolarHBondContact O-N 3.17Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 3.06Å; V7-I10 PolarHBondContact O-N 3.48Å; V7-G11 WeakPolarHBondContact O-CA 3.32Å; V7-G11 PolarHBondContact O-N 3.38Å; V7-V395 HydrophobicContact CG1-CG1 4.25Å; V7-L399 HydrophobicContact CB-CD1 3.65Å; V7-L399 HydrophobicContact CG1-CD1 3.09Å; V7-L399 HydrophobicContact CG2-CD1 3.23Å; V7-L399 HydrophobicContact CG2-CD2 3.85Å; V7-L399 HydrophobicContact CG2-CG 4.15Å
8H69.9Low71.5Confident96 Ų9674.9 Ų74.944%0.44443%0.429SS..Hα-helixtrans-63.9-37.9177.1-70.6-51000112.7E4 A5 G12 Y392E4-H8 PolarHBondContact O-CD2 3.02Å; E4-H8 PolarHBondContact O-N 3.32Å; A5-H8 PolarHBondContact O-N 3.48Å; H8-G12 WeakPolarHBondContact O-CA 3.42Å; H8-G12 PolarHBondContact O-N 3.04Å; H8-Y392 AromaticContact CE1-CE2 3.96Å; H8-Y392 AromaticContact ND1-CE2 3.92Å
9V72.6Confident72.2Confident92 Ų9271.1 Ų71.156%0.55841%0.408SS*.Hα-helixtrans-69.6-47.7177.9171.20000111.3A5 A6 V7 G13A5-V9 VanDerWaalsContact O-CG2 3.28Å; A5-V9 WeakPolarHBondContact O-CG2 3.44Å; A5-V9 PolarHBondContact O-N 3.11Å; A6-V9 PolarHBondContact O-N 2.87Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 3.06Å; V9-G13 PolarHBondContact O-N 3.42Å
10I76.1Confident73Confident103 Ų10368.1 Ų68.153%0.52839%0.392SS..Hα-helixtrans-65.9-49.3179.1-67.9167.1000109.8A6 V7 G12 G13 I14A6-I10 WeakPolarHBondContact O-CB 3.42Å; A6-I10 WeakPolarHBondContact O-CG1 3.28Å; A6-I10 PolarHBondContact O-N 3.31Å; V7-I10 PolarHBondContact O-N 3.48Å; I10-G12 PolarHBondContact O-N 3.18Å; I10-G13 PolarHBondContact O-N 3.03Å; I10-G13 VanDerWaalsContact O-N 3.11Å; I10-I14 HydrophobicContact CG2-CD1 3.67Å; I10-I14 HydrophobicContact CG2-CG1 4.35Å; I10-I14 WeakPolarHBondContact O-CG1 3.46Å; I10-I14 PolarHBondContact O-N 2.95Å
11G73.8Confident73.9Confident7 Ų767.3 Ų67.37%0.07239%0.388CS..Hα-helixtrans-64.3-41.5179.300000112.7V7 G13 G15 V395V7-G11 WeakPolarHBondContact O-CA 3.32Å; V7-G11 PolarHBondContact O-N 3.38Å; G11-G13 VanDerWaalsContact C-N 3.3Å; G11-G13 PolarHBondContact O-N 3.28Å; G11-G15 PolarHBondContact O-N 3.18Å; G11-V395 VanDerWaalsContact CA-CG2 3.47Å
12G75.2Confident76.3Confident46 Ų4662.3 Ų62.347%0.47437%0.365SS..Hα-helixtrans-63.4-35.2172.100000112.7H8 I10 G16H8-G12 WeakPolarHBondContact O-CA 3.42Å; H8-G12 PolarHBondContact O-N 3.04Å; I10-G12 PolarHBondContact O-N 3.18Å; G12-G16 PolarHBondContact O-N 2.8Å
13G79.9Confident78.5Confident7 Ų753.5 Ų53.57%0.07233%0.327CS..Hα-helixtrans-74.4-43178.200000114.7V9 I10 G11 T17V9-G13 PolarHBondContact O-N 3.42Å; I10-G13 PolarHBondContact O-N 3.03Å; I10-G13 VanDerWaalsContact O-N 3.11Å; G11-G13 VanDerWaalsContact C-N 3.3Å; G11-G13 PolarHBondContact O-N 3.28Å; G13-T17 WeakPolarHBondContact O-CB 3.43Å; G13-T17 PolarHBondContact O-N 3.15Å; G13-T17 PolarHBondContact O-OG1 3.08Å
14I83Confident80Confident82 Ų8248.8 Ų48.842%0.42130%0.302SS..Hα-helixtrans-64.6-48.3172.8-64.4170.6000109.1I10 G16 T17 V18 T391I10-I14 HydrophobicContact CG2-CD1 3.67Å; I10-I14 HydrophobicContact CG2-CG1 4.35Å; I10-I14 WeakPolarHBondContact O-CG1 3.46Å; I10-I14 PolarHBondContact O-N 2.95Å; I14-G16 VanDerWaalsContact C-N 3.35Å; I14-G16 PolarHBondContact O-N 3.08Å; I14-T17 WeakPolarHBondContact O-CB 3.4Å; I14-T17 PolarHBondContact O-N 3.01Å; I14-T17 VanDerWaalsContact O-N 3.07Å; I14-V18 HydrophobicContact CG2-CG2 4.2Å; I14-V18 WeakPolarHBondContact O-CG2 3.37Å; I14-V18 PolarHBondContact O-N 3.28Å; I14-T391 HydrophobicContact CB-CG2 4.4Å; I14-T391 HydrophobicContact CG2-CG2 4.07Å
15G80.5Confident81.2Confident8 Ų844 Ų448%0.08228%0.281CS..Hα-helixtrans-62.4-40.3178.900000113.2G11 T17 G19 T391G11-G15 PolarHBondContact O-N 3.18Å; G15-T17 VanDerWaalsContact C-N 3.32Å; G15-T17 PolarHBondContact O-N 3.08Å; G15-G19 WeakPolarHBondContact O-CA 3.03Å; G15-G19 PolarHBondContact O-N 3.4Å; G15-T391 VanDerWaalsContact CA-CB 3.48Å; G15-T391 WeakPolarHBondContact CA-OG1 3.25Å; G15-T391 VanDerWaalsContact N-CG2 3.32Å
16G82.4Confident82.4Confident29 Ų2941.8 Ų41.830%0.29926%0.259SS..Hα-helixtrans-62.5-39172.500000112.7G12 I14 A20G12-G16 PolarHBondContact O-N 2.8Å; I14-G16 VanDerWaalsContact C-N 3.35Å; I14-G16 PolarHBondContact O-N 3.08Å; G16-A20 VanDerWaalsContact O-CB 3.25Å; G16-A20 WeakPolarHBondContact O-CB 3.29Å; G16-A20 PolarHBondContact O-N 3.23Å
17T86.7Confident83.5Confident53 Ų5341.7 Ų41.733%0.32525%0.252SS..Hα-helixtrans-69.2-51.5178.4-64.10000111.7G13 I14 G15 G19 A20 V21 L147G13-T17 WeakPolarHBondContact O-CB 3.43Å; G13-T17 PolarHBondContact O-N 3.15Å; G13-T17 PolarHBondContact O-OG1 3.08Å; I14-T17 WeakPolarHBondContact O-CB 3.4Å; I14-T17 PolarHBondContact O-N 3.01Å; I14-T17 VanDerWaalsContact O-N 3.07Å; G15-T17 VanDerWaalsContact C-N 3.32Å; G15-T17 PolarHBondContact O-N 3.08Å; T17-G19 VanDerWaalsContact C-N 3.3Å; T17-G19 PolarHBondContact O-N 3.38Å; T17-A20 PolarHBondContact O-N 3.43Å; T17-A20 VanDerWaalsContact O-N 3.17Å; T17-V21 WeakPolarHBondContact O-CG2 3.48Å; T17-V21 PolarHBondContact O-N 3.09Å; T17-L147 HydrophobicContact CG2-CD2 3.55Å
18V88.7Confident84.6Confident60 Ų6040.8 Ų40.836%0.36425%0.247SC..Hα-helixtrans-60-44.3177175.70000110.1I14 A20 V21 L22 I387I14-V18 HydrophobicContact CG2-CG2 4.2Å; I14-V18 WeakPolarHBondContact O-CG2 3.37Å; I14-V18 PolarHBondContact O-N 3.28Å; V18-A20 PolarHBondContact O-N 2.91Å; V18-V21 PolarHBondContact O-N 2.97Å; V18-L22 HydrophobicContact CG1-CD1 3.83Å; V18-L22 HydrophobicContact CG1-CG 4.41Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.29Å; V18-I387 HydrophobicContact CB-CG2 4.29Å; V18-I387 HydrophobicContact CG1-CG2 3.93Å
19G86.5Confident85.6Confident3 Ų336.3 Ų36.33%0.03123%0.226CC..Hα-helixtrans-56.6-47.3173.700000112.5G15 T17 V21 T23G15-G19 WeakPolarHBondContact O-CA 3.03Å; G15-G19 PolarHBondContact O-N 3.4Å; T17-G19 VanDerWaalsContact C-N 3.3Å; T17-G19 PolarHBondContact O-N 3.38Å; G19-V21 PolarHBondContact O-N 3.5Å; G19-T23 VanDerWaalsContact O-CB 3.32Å; G19-T23 WeakPolarHBondContact O-CB 3.32Å; G19-T23 WeakPolarHBondContact O-CG2 3.32Å; G19-T23 PolarHBondContact O-N 3.17Å; G19-T23 PolarHBondContact O-OG1 3.39Å
20A88.1Confident86.6Confident11 Ų1132.8 Ų32.89%0.09120%0.203CC..Hα-helixtrans-63.6-40.1178.700000112.7G16 T17 V18 C24 L143 T146G16-A20 VanDerWaalsContact O-CB 3.25Å; G16-A20 WeakPolarHBondContact O-CB 3.29Å; G16-A20 PolarHBondContact O-N 3.23Å; T17-A20 PolarHBondContact O-N 3.43Å; T17-A20 VanDerWaalsContact O-N 3.17Å; V18-A20 PolarHBondContact O-N 2.91Å; A20-C24 WeakPolarHBondContact O-CA 3.5Å; A20-C24 VanDerWaalsContact O-CB 3.24Å; A20-C24 WeakPolarHBondContact O-CB 3.5Å; A20-C24 PolarHBondContact O-N 3.46Å; A20-L143 HydrophobicContact CB-CD1 4.45Å; A20-T146 HydrophobicContact CB-CG2 3.83Å
21V91.2Very high87.3Confident52 Ų5228.2 Ų28.232%0.31518%0.18SC..Hα-helixtrans-66.2-51.6178.2175.10000110.9T17 V18 G19 T23 C24 F140 L143T17-V21 WeakPolarHBondContact O-CG2 3.48Å; T17-V21 PolarHBondContact O-N 3.09Å; V18-V21 PolarHBondContact O-N 2.97Å; G19-V21 PolarHBondContact O-N 3.5Å; V21-T23 PolarHBondContact O-N 2.82Å; V21-C24 WeakPolarHBondContact O-CB 3.35Å; V21-C24 PolarHBondContact O-N 2.89Å; V21-F140 HydrophobicContact CG1-CE1 4.31Å; V21-L143 HydrophobicContact CG2-CD1 3.89Å; V21-L143 HydrophobicContact CG2-CD2 4.09Å
22L90.9Very high88.1Confident111 Ų11128.4 Ų28.458%0.58118%0.179SC*.Hα-helixtrans-69-34.7-175.6-68.5176.9000112.6V18 I387V18-L22 HydrophobicContact CG1-CD1 3.83Å; V18-L22 HydrophobicContact CG1-CG 4.41Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.29Å; L22-I387 HydrophobicContact CB-CD1 3.72Å; L22-I387 HydrophobicContact CD1-CD1 3.62Å; L22-I387 HydrophobicContact CD1-CG1 3.99Å; L22-I387 HydrophobicContact CG-CD1 4.3Å
23T91.9Very high88.8Confident4 Ų426.4 Ų26.43%0.02516%0.157CC..Hα-helixtrans-89.9-5.5179.766.10000113.7G19 V21 L26 E27 R380 P383 N384 I387G19-T23 VanDerWaalsContact O-CB 3.32Å; G19-T23 WeakPolarHBondContact O-CB 3.32Å; G19-T23 WeakPolarHBondContact O-CG2 3.32Å; G19-T23 PolarHBondContact O-N 3.17Å; G19-T23 PolarHBondContact O-OG1 3.39Å; V21-T23 PolarHBondContact O-N 2.82Å; T23-L26 PolarHBondContact O-N 2.87Å; T23-L26 VanDerWaalsContact O-N 3.16Å; T23-E27 PolarHBondContact O-N 3.07Å; T23-R380 HydrophobicContact CG2-CG 4.37Å; T23-P383 HydrophobicContact CG2-CB 4.31Å; T23-N384 HydrophobicContact CG2-CB 4.33Å; T23-I387 HydrophobicContact CG2-CD1 4.21Å
24C92.6Very high89.3Confident1 Ų126.2 Ų26.21%0.00715%0.154CC..Hα-helixtrans-52.8-47.3-177.8-155.30000113.4A20 V21 L26 E27 V28 L139 F140A20-C24 WeakPolarHBondContact O-CA 3.5Å; A20-C24 VanDerWaalsContact O-CB 3.24Å; A20-C24 WeakPolarHBondContact O-CB 3.5Å; A20-C24 PolarHBondContact O-N 3.46Å; V21-C24 WeakPolarHBondContact O-CB 3.35Å; V21-C24 PolarHBondContact O-N 2.89Å; C24-L26 VanDerWaalsContact C-N 3.31Å; C24-L26 PolarHBondContact O-N 3.37Å; C24-E27 WeakPolarHBondContact O-CB 3.12Å; C24-E27 PolarHBondContact O-N 2.88Å; C24-V28 WeakPolarHBondContact O-CG2 3.43Å; C24-V28 PolarHBondContact O-N 3.27Å; C24-L139 CarbonylContact C-O 3.51Å; C24-F140 HydrophobicContact CB-CD1 4.03Å; C24-F140 HydrophobicContact CB-CE1 4.44Å
25P92.3Very high89.6Confident26 Ų2622.8 Ų22.817%0.16914%0.138CC..Hα-helixtrans-58.4-41.4-179.9-2636.3000113V29 L127 L139P25-V29 WeakPolarHBondContact O-CG2 3.46Å; P25-V29 PolarHBondContact O-N 3.33Å; P25-V29 VanDerWaalsContact O-N 3.15Å; P25-L127 HydrophobicContact CB-CD2 3.97Å; P25-L139 HydrophobicContact CB-CB 4.15Å; P25-L139 HydrophobicContact CB-CD1 4.46Å; P25-L139 HydrophobicContact CB-CD2 4.17Å; P25-L139 HydrophobicContact CB-CG 4.5Å; P25-L139 HydrophobicContact CG-CB 4.21Å
26L91.4Very high89.8Confident29 Ų2923.6 Ų23.615%0.15214%0.142CC..Hα-helixtrans-69.6-35.5176.9-70.5173.9000111.7T23 C24 V29 K30 I123 T376 I379 R380T23-L26 PolarHBondContact O-N 2.87Å; T23-L26 VanDerWaalsContact O-N 3.16Å; C24-L26 VanDerWaalsContact C-N 3.31Å; C24-L26 PolarHBondContact O-N 3.37Å; L26-V29 PolarHBondContact O-N 3Å; L26-K30 WeakPolarHBondContact O-CB 3.26Å; L26-K30 PolarHBondContact O-N 2.9Å; L26-I123 HydrophobicContact CD2-CG2 4.1Å; L26-T376 HydrophobicContact CB-CG2 4.49Å; L26-T376 HydrophobicContact CD2-CG2 4.38Å; L26-T376 VanDerWaalsContact O-CG2 3.31Å; L26-T376 WeakPolarHBondContact O-CG2 3.24Å; L26-I379 HydrophobicContact CD1-CG2 4.28Å; L26-R380 HydrophobicContact CB-CB 4.36Å; L26-R380 HydrophobicContact CB-CG 4.33Å; L26-R380 HydrophobicContact CD1-CB 4.4Å
27E91.2Very high89.8Confident37 Ų3728.8 Ų28.817%0.17316%0.157CC..Hα-helixtrans-66-42.7176-167.3173.1-164.300111.9T23 C24 V29 K30 V31 K202T23-E27 PolarHBondContact O-N 3.07Å; C24-E27 WeakPolarHBondContact O-CB 3.12Å; C24-E27 PolarHBondContact O-N 2.88Å; E27-V29 VanDerWaalsContact C-N 3.34Å; E27-V29 PolarHBondContact O-N 3.19Å; E27-K30 WeakPolarHBondContact O-CB 3.46Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-V31 WeakPolarHBondContact O-CG2 3.34Å; E27-V31 PolarHBondContact O-N 3.03Å; E27-K202 VanDerWaalsContact OE1-CE 3.28Å; E27-K202 WeakPolarHBondContact OE1-CE 3.46Å; E27-K202 IonicContact OE1-NZ 3.52Å; E27-K202 PolarHBondContact OE1-NZ 3.49Å; E27-K202 WeakPolarHBondContact OE2-CE 3.38Å; E27-K202 IonicContact OE2-NZ 2.71Å; E27-K202 PolarHBondContact OE2-NZ 3.45Å
28V91.7Very high89.1Confident0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-59.9-45.5174.8175.50000110.7C24 V31 R32 I130 L139 Q206C24-V28 WeakPolarHBondContact O-CG2 3.43Å; C24-V28 PolarHBondContact O-N 3.27Å; V28-V31 PolarHBondContact O-N 2.76Å; V28-R32 WeakPolarHBondContact O-CB 3.28Å; V28-R32 VanDerWaalsContact O-CG 3.28Å; V28-R32 WeakPolarHBondContact O-CG 3.15Å; V28-R32 PolarHBondContact O-N 2.9Å; V28-I130 HydrophobicContact CG1-CD1 4.14Å; V28-L139 WeakPolarHBondContact CG2-O 3.39Å; V28-Q206 HydrophobicContact CG2-CG 4.21Å
29V91.7Very high87.8Confident1 Ų126.8 Ų26.81%0.00614%0.141CC..Hα-helixtrans-62.4-45.3176.6172.90000111.5P25 L26 E27 V31 R32 L33 I123 L127 I130 T376P25-V29 WeakPolarHBondContact O-CG2 3.46Å; P25-V29 PolarHBondContact O-N 3.33Å; P25-V29 VanDerWaalsContact O-N 3.15Å; L26-V29 PolarHBondContact O-N 3Å; E27-V29 VanDerWaalsContact C-N 3.34Å; E27-V29 PolarHBondContact O-N 3.19Å; V29-V31 PolarHBondContact O-N 3.16Å; V29-R32 PolarHBondContact O-N 3.23Å; V29-L33 HydrophobicContact CG1-CD1 3.74Å; V29-L33 HydrophobicContact CG1-CG 4.17Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.22Å; V29-L33 PolarHBondContact O-N 3.38Å; V29-I123 HydrophobicContact CG1-CG2 4.28Å; V29-L127 HydrophobicContact CG2-CD2 3.44Å; V29-L127 VanDerWaalsContact CG2-CD2 3.44Å; V29-L127 HydrophobicContact CG2-CG 3.77Å; V29-I130 HydrophobicContact CG2-CD1 3.74Å; V29-T376 HydrophobicContact CB-CG2 4.3Å; V29-T376 HydrophobicContact CG1-CG2 4.11Å
30K92.2Very high86.6Confident18 Ų1831.9 Ų31.98%0.07817%0.171CC..Hα-helixtrans-55.1-53.5176.8175.7-170.3168.4-173.80110.5L26 E27 R32 L33 Q34 E338 T376 H377L26-K30 WeakPolarHBondContact O-CB 3.26Å; L26-K30 PolarHBondContact O-N 2.9Å; E27-K30 WeakPolarHBondContact O-CB 3.46Å; E27-K30 PolarHBondContact O-N 3.45Å; K30-R32 VanDerWaalsContact C-N 3.33Å; K30-R32 PolarHBondContact O-N 3.42Å; K30-L33 PolarHBondContact O-N 3.18Å; K30-Q34 HydrophobicContact CG-CG 4.48Å; K30-Q34 WeakPolarHBondContact O-CB 3.42Å; K30-Q34 VanDerWaalsContact O-CG 3.27Å; K30-Q34 WeakPolarHBondContact O-CG 3.48Å; K30-Q34 PolarHBondContact O-N 3.17Å; K30-E338 WeakPolarHBondContact CE-OE2 3.34Å; K30-E338 IonicContact NZ-OE1 2.62Å; K30-E338 PolarHBondContact NZ-OE1 3.39Å; K30-E338 IonicContact NZ-OE2 3.52Å; K30-E338 PolarHBondContact NZ-OE2 3.15Å; K30-T376 HydrophobicContact CB-CG2 3.9Å; K30-H377 HydrophobicContact CD-CB 4.18Å; K30-H377 VanDerWaalsContact CE-CD2 3.48Å; K30-H377 WeakPolarHBondContact CE-CD2 3.3Å; K30-H377 PolarHBondContact NZ-CD2 2.95Å; K30-H377 PolarHBondContact NZ-NE2 3.25Å; K30-H377 VanDerWaalsContact NZ-NE2 3.16Å
31V92.1Very high85.3Confident8 Ų834 Ų345%0.04818%0.181CC..Hα-helixtrans-64-38.5-176.1170.20000111.6E27 V28 V29 Q34 S35 T203 Q206 L207 T342E27-V31 WeakPolarHBondContact O-CG2 3.34Å; E27-V31 PolarHBondContact O-N 3.03Å; V28-V31 PolarHBondContact O-N 2.76Å; V29-V31 PolarHBondContact O-N 3.16Å; V31-Q34 PolarHBondContact O-N 2.97Å; V31-S35 PolarHBondContact O-N 2.93Å; V31-S35 VanDerWaalsContact O-N 3.14Å; V31-T203 HydrophobicContact CG1-CG2 4.13Å; V31-Q206 HydrophobicContact CB-CB 4.23Å; V31-Q206 HydrophobicContact CG1-CB 3.85Å; V31-L207 HydrophobicContact CG1-CD2 3.72Å; V31-L207 HydrophobicContact CG1-CG 3.8Å; V31-T342 HydrophobicContact CG1-CG2 4Å; V31-T342 WeakPolarHBondContact O-CG2 3.33Å
32R90.9Very high83.6Confident10 Ų1033.7 Ų33.74%0.03818%0.181CC..Hα-helixtrans-70-40.8176.9-72.4176.3174.2-148.4-2113V28 V29 K30 Q34 S35 G38 E134 Q206 D208 S209V28-R32 WeakPolarHBondContact O-CB 3.28Å; V28-R32 VanDerWaalsContact O-CG 3.28Å; V28-R32 WeakPolarHBondContact O-CG 3.15Å; V28-R32 PolarHBondContact O-N 2.9Å; V29-R32 PolarHBondContact O-N 3.23Å; K30-R32 VanDerWaalsContact C-N 3.33Å; K30-R32 PolarHBondContact O-N 3.42Å; R32-Q34 VanDerWaalsContact C-N 3.29Å; R32-S35 WeakPolarHBondContact O-CB 3.45Å; R32-S35 PolarHBondContact O-N 3.44Å; R32-S35 PolarHBondContact O-OG 2.86Å; R32-G38 WeakPolarHBondContact O-CA 3.48Å; R32-E134 IonicContact CZ-OE1 2.9Å; R32-E134 VanDerWaalsContact CZ-OE1 3.29Å; R32-E134 IonicContact CZ-OE2 3.08Å; R32-E134 VanDerWaalsContact NH1-CD 3.34Å; R32-E134 IonicContact NH1-OE1 2.66Å; R32-E134 PolarHBondContact NH1-OE1 3.41Å; R32-E134 IonicContact NH1-OE2 3.87Å; R32-E134 VanDerWaalsContact NH2-CD 3.3Å; R32-E134 IonicContact NH2-OE1 3.67Å; R32-E134 PolarHBondContact NH2-OE1 3.39Å; R32-E134 VanDerWaalsContact NH2-OE1 3.14Å; R32-E134 IonicContact NH2-OE2 3.14Å; R32-E134 PolarHBondContact NH2-OE2 2.74Å; R32-Q206 WeakPolarHBondContact CG-O 3.35Å; R32-Q206 PolarHBondContact NE-O 3.28Å; R32-D208 PolarHBondContact NH2-O 3.03Å; R32-S209 PolarHBondContact NE-OG 3.08Å; R32-S209 PolarHBondContact NH1-OG 2.88Å; R32-S209 PolarHBondContact NH2-OG 3.21Å
33L88.7Confident81.7Confident5 Ų531.5 Ų31.53%0.02618%0.175CC..Hα-helixtrans-62.4-39.5172.4-73.2177.1000110.8V29 K30 S35 L41 L122 R372V29-L33 HydrophobicContact CG1-CD1 3.74Å; V29-L33 HydrophobicContact CG1-CG 4.17Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.22Å; V29-L33 PolarHBondContact O-N 3.38Å; K30-L33 PolarHBondContact O-N 3.18Å; L33-S35 PolarHBondContact O-N 3.25Å; L33-L41 HydrophobicContact CD2-CB 4.39Å; L33-L122 HydrophobicContact CD2-CD2 4.31Å; L33-R372 WeakPolarHBondContact O-CD 3.48Å; L33-R372 WeakPolarHBondContact O-CG 3.35Å; L33-R372 PolarHBondContact O-NE 3.25Å
34Q90.3Very high79.7Confident3 Ų333.6 Ų33.61%0.01419%0.19CC..Hα-helixtrans-68.1-15.5175.8-75.1179.5-1700113.8K30 V31 R32 Y335 E338 V339 T342 R343 R372K30-Q34 HydrophobicContact CG-CG 4.48Å; K30-Q34 WeakPolarHBondContact O-CB 3.42Å; K30-Q34 VanDerWaalsContact O-CG 3.27Å; K30-Q34 WeakPolarHBondContact O-CG 3.48Å; K30-Q34 PolarHBondContact O-N 3.17Å; V31-Q34 PolarHBondContact O-N 2.97Å; R32-Q34 VanDerWaalsContact C-N 3.29Å; Q34-Y335 PolarHBondContact NE2-OH 3.05Å; Q34-E338 PolarHBondContact NE2-OE2 3.34Å; Q34-V339 HydrophobicContact CG-CG2 4.21Å; Q34-T342 HydrophobicContact CB-CG2 3.86Å; Q34-T342 PolarHBondContact OE1-OG1 3.26Å; Q34-R343 WeakPolarHBondContact O-CD 2.92Å; Q34-R343 PolarHBondContact O-NE 3Å; Q34-R372 WeakPolarHBondContact CG-O 3.3Å
35S90.6Very high77.5Confident10 Ų1036.9 Ų36.97%0.0721%0.213CC..SBendtrans-75.7162.1-179.684.70000113.4V31 R32 L33 K37 G38 L207 R343 E346V31-S35 PolarHBondContact O-N 2.93Å; V31-S35 VanDerWaalsContact O-N 3.14Å; R32-S35 WeakPolarHBondContact O-CB 3.45Å; R32-S35 PolarHBondContact O-N 3.44Å; R32-S35 PolarHBondContact O-OG 2.86Å; L33-S35 PolarHBondContact O-N 3.25Å; S35-K37 PolarHBondContact O-N 2.91Å; S35-K37 PolarHBondContact OG-N 2.92Å; S35-G38 WeakPolarHBondContact O-CA 3.48Å; S35-G38 PolarHBondContact O-N 3.42Å; S35-G38 PolarHBondContact OG-N 3.28Å; S35-G38 VanDerWaalsContact OG-N 3.11Å; S35-L207 VanDerWaalsContact CB-CD2 3.4Å; S35-R343 PolarHBondContact O-NH2 2.9Å; S35-E346 VanDerWaalsContact C-OE1 3.3Å; S35-E346 WeakPolarHBondContact CA-OE1 3.32Å; S35-E346 WeakPolarHBondContact CB-OE1 3.48Å
36S84.4Confident75.1Confident25 Ų2544.9 Ų44.918%0.17525%0.245CC..THydrogen-bonded Turntrans-60.7-34.8174.161.80000112.3G38 I39 R343 E346S36-G38 PolarHBondContact O-N 3.33Å; S36-I39 WeakPolarHBondContact O-CG1 3.3Å; S36-I39 PolarHBondContact O-N 2.97Å; S36-R343 VanDerWaalsContact CB-NH1 3.34Å; S36-E346 VanDerWaalsContact CB-OE2 3.3Å; S36-E346 WeakPolarHBondContact CB-OE2 3.46Å; S36-E346 PolarHBondContact N-OE1 3.27Å; S36-E346 PolarHBondContact OG-OE2 3.37Å
37K82.2Confident72.3Confident138 Ų13852.1 Ų52.160%0.628%0.275SS*.THydrogen-bonded Turntrans-70.7-17.8173.1-63.7-179.2-177.5174.80112.6S35 I39 V40S35-K37 PolarHBondContact O-N 2.91Å; S35-K37 PolarHBondContact OG-N 2.92Å; K37-I39 PolarHBondContact O-N 2.94Å; K37-I39 VanDerWaalsContact O-N 3.11Å; K37-V40 PolarHBondContact O-N 2.89Å; K37-V40 VanDerWaalsContact O-N 3.09Å
38G72.2Confident69.6Low0 Ų058.8 Ų58.80%031%0.306CS..Hα-helixtrans-50.9-35.6175.200000111.6R32 S35 S36 V40 L41 S42 R372R32-G38 WeakPolarHBondContact O-CA 3.48Å; S35-G38 WeakPolarHBondContact O-CA 3.48Å; S35-G38 PolarHBondContact O-N 3.42Å; S35-G38 PolarHBondContact OG-N 3.28Å; S35-G38 VanDerWaalsContact OG-N 3.11Å; S36-G38 PolarHBondContact O-N 3.33Å; G38-V40 PolarHBondContact O-N 2.85Å; G38-V40 VanDerWaalsContact O-N 3.16Å; G38-L41 WeakPolarHBondContact O-CA 3.3Å; G38-L41 WeakPolarHBondContact O-CB 3.48Å; G38-L41 PolarHBondContact O-N 3.47Å; G38-S42 PolarHBondContact O-N 3.47Å; G38-R372 PolarHBondContact O-NH2 3.17Å
39I61.4Low66.6Low70 Ų7065.9 Ų65.936%0.35934%0.344SS..Hα-helixtrans-47.8-44.2178.3-57.4171.9000111.9S36 K37 L41 S42 S43 E365 R372S36-I39 WeakPolarHBondContact O-CG1 3.3Å; S36-I39 PolarHBondContact O-N 2.97Å; K37-I39 PolarHBondContact O-N 2.94Å; K37-I39 VanDerWaalsContact O-N 3.11Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 2.78Å; I39-S42 PolarHBondContact O-N 3.49Å; I39-S43 WeakPolarHBondContact O-CB 3.24Å; I39-S43 PolarHBondContact O-N 3.4Å; I39-E365 VanDerWaalsContact CD1-CD 3.49Å; I39-E365 HydrophobicContact CD1-CG 3.68Å; I39-E365 HydrophobicContact CG1-CG 4.37Å; I39-R372 VanDerWaalsContact CA-NH1 3.27Å; I39-R372 VanDerWaalsContact N-CZ 3.25Å
40V61.5Low63.7Low111 Ų11171.4 Ų71.467%0.67338%0.383SS*.Hα-helixtrans-64.2-38.6-178.4-174.80000111.3K37 G38 S42 S44K37-V40 PolarHBondContact O-N 2.89Å; K37-V40 VanDerWaalsContact O-N 3.09Å; G38-V40 PolarHBondContact O-N 2.85Å; G38-V40 VanDerWaalsContact O-N 3.16Å; V40-S42 PolarHBondContact O-N 3.43Å; V40-S44 PolarHBondContact O-N 3.18Å
41L59.8Low60.8Low55 Ų5578 Ų7829%0.28842%0.424SS..Hα-helixtrans-68.3-30.4178-68.1166.2000113.1L33 G38 I39 S44L33-L41 HydrophobicContact CD2-CB 4.39Å; G38-L41 WeakPolarHBondContact O-CA 3.3Å; G38-L41 WeakPolarHBondContact O-CB 3.48Å; G38-L41 PolarHBondContact O-N 3.47Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 2.78Å; L41-S44 PolarHBondContact O-OG 2.6Å
42S56Low57.8Low45 Ų4581.7 Ų81.732%0.31546%0.455SS..Hα-helixtrans-93.2-24.9175.9-167.20000113.4G38 I39 V40 S44 S45G38-S42 PolarHBondContact O-N 3.47Å; I39-S42 PolarHBondContact O-N 3.49Å; V40-S42 PolarHBondContact O-N 3.43Å; S42-S44 VanDerWaalsContact C-N 3.3Å; S42-S45 WeakPolarHBondContact O-CA 3.28Å; S42-S45 WeakPolarHBondContact O-CB 3.5Å; S42-S45 PolarHBondContact O-N 3.41Å
43S51.5Low55Low65 Ų6586 Ų8646%0.45548%0.479SS..Hα-helixtrans-73.3-26.8178.7-164.80000111.6I39 S45 F46 K47I39-S43 WeakPolarHBondContact O-CB 3.24Å; I39-S43 PolarHBondContact O-N 3.4Å; S43-S45 PolarHBondContact O-N 2.93Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S43-F46 PolarHBondContact O-N 3.3Å; S43-F46 VanDerWaalsContact O-N 3.14Å; S43-K47 PolarHBondContact O-N 3.48Å
44S49.2Very low52.5Low48 Ų4896.4 Ų96.434%0.33652%0.52SS..THydrogen-bonded Turntrans-65.6-5.8165.7680000113.1V40 L41 S42 R125V40-S44 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-OG 2.6Å; S42-S44 VanDerWaalsContact C-N 3.3Å; S44-R125 PolarHBondContact O-NH1 2.99Å
45S46.6Very low49.9Very low70 Ų70102.6 Ų102.649%0.4955%0.553SS.*THydrogen-bonded Turntrans-91.9-6.3173.8-158.80000113.6S42 S43S42-S45 WeakPolarHBondContact O-CA 3.28Å; S42-S45 WeakPolarHBondContact O-CB 3.5Å; S42-S45 PolarHBondContact O-N 3.41Å; S43-S45 PolarHBondContact O-N 2.93Å; S43-S45 VanDerWaalsContact O-N 3.14Å
46F41Very low47.4Very low195 Ų195106.6 Ų106.686%0.85557%0.57SS**THydrogen-bonded Turntrans-125.1-10.3-178.3-141.3-95.2000115.3S43S43-F46 PolarHBondContact O-N 3.3Å; S43-F46 VanDerWaalsContact O-N 3.14Å
47K33.7Very low45.5Very low181 Ų181109.6 Ų109.679%0.78759%0.591SS**  trans-121.796.4174.8-74.4-174.1175.7-173.70110.8S43S43-K47 PolarHBondContact O-N 3.48Å
48H33.7Very low43.6Very low177 Ų177109.4 Ų109.482%0.81959%0.592SS**  trans-132.681.7162.7-168.4-73.9000108.5
49N29.1Very low42.1Very low149 Ų149117.8 Ų117.880%0.79762%0.624SS**SBendtrans176.875.6155-95.83.5000108.7
50S31.7Very low41.2Very low117 Ų117118.7 Ų118.782%0.81863%0.629SS**  trans-170.1112.5152.2-99.90000108.7A52S50-A52 PolarHBondContact O-N 3.35Å; S50-A52 VanDerWaalsContact O-N 3.13Å
51V30.2Very low40.4Very low157 Ų157116.2 Ų116.295%0.95262%0.617SS**  trans-69.495.6165.3175.20000106.5
52A30.1Very low39.7Very low84 Ų84122.2 Ų122.269%0.69464%0.635SS**  trans178.9146.5158.800000109.4S50S50-A52 PolarHBondContact O-N 3.35Å; S50-A52 VanDerWaalsContact O-N 3.13Å
53D32.3Very low39.3Very low101 Ų101123.8 Ų123.854%0.5464%0.64SS.*  trans83.852.5163.9-83.4-18.2000120.9N55 H56D53-N55 PolarHBondContact O-N 3.04Å; D53-H56 HydrophobicContact CB-CB 3.67Å; D53-H56 VanDerWaalsContact OD2-CB 3.28Å; D53-H56 WeakPolarHBondContact OD2-CB 3.27Å; D53-H56 IonicContact OD2-CG 3.77Å
54Y36.2Very low39.2Very low224 Ų224129.2 Ų129.288%0.87865%0.65SS**THydrogen-bonded Turntrans-66.4-21.4157.6-144.7-100.1000112.9
55N35.6Very low39Very low132 Ų132131.6 Ų131.671%0.70667%0.665SS**THydrogen-bonded Turntrans-93.7-24.3-179.7-78.4-23.8000114.5D53 R59D53-N55 PolarHBondContact O-N 3.04Å; N55-R59 PolarHBondContact O-N 3.42Å
56H37.6Very low38.8Very low94 Ų94134.3 Ų134.344%0.43567%0.672SS.*Hα-helixtrans-81-34.4-175.8-162.8-95.8000113.2D53 H58 R59 L60D53-H56 HydrophobicContact CB-CB 3.67Å; D53-H56 VanDerWaalsContact OD2-CB 3.28Å; D53-H56 WeakPolarHBondContact OD2-CB 3.27Å; D53-H56 IonicContact OD2-CG 3.77Å; H56-H58 VanDerWaalsContact C-N 3.29Å; H56-H58 PolarHBondContact O-N 2.8Å; H56-R59 PolarHBondContact O-N 3Å; H56-L60 WeakPolarHBondContact ND1-CD1 3.1Å; H56-L60 PolarHBondContact O-N 3.45Å
57S43.8Very low39.1Very low89 Ų89130.5 Ų130.562%0.62266%0.66SS**Hα-helixtrans-65.3-30.4175.1-86.20000113.3S61S57-S61 PolarHBondContact O-N 3.33Å; S57-S61 PolarHBondContact O-OG 3.32Å
58H43.2Very low39.5Very low133 Ų133128.1 Ų128.162%0.61665%0.647SS**Hα-helixtrans-79-24.7175.3-124.4-97.1000112.9H56 S61 R62H56-H58 VanDerWaalsContact C-N 3.29Å; H56-H58 PolarHBondContact O-N 2.8Å; H58-S61 PolarHBondContact O-OG 2.88Å; H58-S61 VanDerWaalsContact O-OG 3.09Å; H58-R62 WeakPolarHBondContact O-CG 3.38Å; H58-R62 PolarHBondContact O-N 3.48Å
59R39.6Very low39.8Very low176 Ų176122.1 Ų122.166%0.66463%0.633SS**Hα-helixtrans-74.9-42.4170.9-82.2-172.2-177.5-131.82.3111.8N55 H56 S61 R62 I63N55-R59 PolarHBondContact O-N 3.42Å; H56-R59 PolarHBondContact O-N 3Å; R59-S61 VanDerWaalsContact C-N 3.33Å; R59-S61 PolarHBondContact O-N 3.42Å; R59-R62 PolarHBondContact O-N 3.24Å; R59-I63 HydrophobicContact CB-CD1 4.38Å; R59-I63 WeakPolarHBondContact O-CB 3.45Å; R59-I63 WeakPolarHBondContact O-CG1 3.48Å; R59-I63 PolarHBondContact O-N 3.29Å
60L42.2Very low40.3Very low90 Ų90121.6 Ų121.647%0.47163%0.63SS.*Hα-helixtrans-66.1-33.4179.9-79168000113.1H56 R64H56-L60 WeakPolarHBondContact ND1-CD1 3.1Å; H56-L60 PolarHBondContact O-N 3.45Å; L60-R64 WeakPolarHBondContact O-CB 3.31Å; L60-R64 PolarHBondContact O-N 3.39Å
61S46.2Very low40.8Very low59 Ų59125 Ų12541%0.41363%0.63SS.*Hα-helixtrans-70.1-40173.164.40000112.3S57 H58 R59 C65S57-S61 PolarHBondContact O-N 3.33Å; S57-S61 PolarHBondContact O-OG 3.32Å; H58-S61 PolarHBondContact O-OG 2.88Å; H58-S61 VanDerWaalsContact O-OG 3.09Å; R59-S61 VanDerWaalsContact C-N 3.33Å; R59-S61 PolarHBondContact O-N 3.42Å; S61-C65 WeakPolarHBondContact O-CB 3.32Å; S61-C65 PolarHBondContact O-N 3.36Å
62R44.6Very low41.3Very low181 Ų181124.8 Ų124.868%0.68362%0.618SS**Hα-helixtrans-67.4-41.3174.1-81.3-174.5155.8-171.3-5.2112.9H58 R59 C65 M66H58-R62 WeakPolarHBondContact O-CG 3.38Å; H58-R62 PolarHBondContact O-N 3.48Å; R59-R62 PolarHBondContact O-N 3.24Å; R62-C65 PolarHBondContact O-N 3.18Å; R62-M66 PolarHBondContact O-N 3.4Å
63I47.4Very low41.4Very low78 Ų78124.8 Ų124.840%0.462%0.618SS.*Hα-helixtrans-68.4-39.7177.6-69.1166000110.3R59 M66 L67R59-I63 HydrophobicContact CB-CD1 4.38Å; R59-I63 WeakPolarHBondContact O-CB 3.45Å; R59-I63 WeakPolarHBondContact O-CG1 3.48Å; R59-I63 PolarHBondContact O-N 3.29Å; I63-M66 PolarHBondContact O-N 2.88Å; I63-L67 HydrophobicContact CG2-CD1 3.56Å; I63-L67 HydrophobicContact CG2-CG 4.24Å; I63-L67 VanDerWaalsContact O-CB 3.3Å; I63-L67 WeakPolarHBondContact O-CB 3.36Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.44Å
64R49.2Very low41.5Very low178 Ų178126.8 Ų126.867%0.67263%0.629SS**Hα-helixtrans-61.2-46.7169.8-90.5-177.4176.7170.1-0.4111.5L60 M66 L67 Y68L60-R64 WeakPolarHBondContact O-CB 3.31Å; L60-R64 PolarHBondContact O-N 3.39Å; R64-M66 VanDerWaalsContact C-N 3.34Å; R64-M66 PolarHBondContact O-N 3.41Å; R64-L67 PolarHBondContact O-N 3.48Å; R64-Y68 HydrophobicContact CB-CD2 4.34Å; R64-Y68 HydrophobicContact CB-CE2 4.5Å; R64-Y68 HydrophobicContact CG-CE2 4.37Å; R64-Y68 WeakPolarHBondContact O-CB 3.27Å; R64-Y68 WeakPolarHBondContact O-CD2 3.38Å; R64-Y68 PolarHBondContact O-N 3.42Å
65C44.4Very low41.3Very low98 Ų98121.7 Ų121.766%0.66262%0.623SS**Hα-helixtrans-60.4-39.6176.3-88.20000113.2S61 R62 G69S61-C65 WeakPolarHBondContact O-CB 3.32Å; S61-C65 PolarHBondContact O-N 3.36Å; R62-C65 PolarHBondContact O-N 3.18Å; C65-G69 PolarHBondContact O-N 2.98Å
66M43.4Very low41.3Very low128 Ų128124.2 Ų124.263%0.63163%0.628SS**Hα-helixtrans-72-41.9177.2-75.9-154.2-70.100112.9R62 I63 R64 Y68 G69 L70R62-M66 PolarHBondContact O-N 3.4Å; I63-M66 PolarHBondContact O-N 2.88Å; R64-M66 VanDerWaalsContact C-N 3.34Å; R64-M66 PolarHBondContact O-N 3.41Å; M66-Y68 VanDerWaalsContact C-N 3.32Å; M66-Y68 PolarHBondContact O-N 3.07Å; M66-G69 PolarHBondContact O-N 2.79Å; M66-L70 WeakPolarHBondContact O-CG 3.4Å; M66-L70 PolarHBondContact O-N 2.98Å
67L46.3Very low41.2Very low114 Ų114129.1 Ų129.160%0.59765%0.651SS**Hα-helixtrans-66.8-33.1177.3-74.5166.6000112.2I63 R64I63-L67 HydrophobicContact CG2-CD1 3.56Å; I63-L67 HydrophobicContact CG2-CG 4.24Å; I63-L67 VanDerWaalsContact O-CB 3.3Å; I63-L67 WeakPolarHBondContact O-CB 3.36Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.44Å; R64-L67 PolarHBondContact O-N 3.48Å
68Y42.5Very low40.6Very low131 Ų131131.5 Ų131.551%0.51466%0.661SS.*Hα-helixtrans-77.4-29173.8-79.8-65.8000113.2R64 M66R64-Y68 HydrophobicContact CB-CD2 4.34Å; R64-Y68 HydrophobicContact CB-CE2 4.5Å; R64-Y68 HydrophobicContact CG-CE2 4.37Å; R64-Y68 WeakPolarHBondContact O-CB 3.27Å; R64-Y68 WeakPolarHBondContact O-CD2 3.38Å; R64-Y68 PolarHBondContact O-N 3.42Å; M66-Y68 VanDerWaalsContact C-N 3.32Å; M66-Y68 PolarHBondContact O-N 3.07Å
69G39.8Very low40Very low52 Ų52132.9 Ų132.954%0.53667%0.668SS.*Hα-helixtrans-71.1-33.7173.300000113.6C65 M66 K71C65-G69 PolarHBondContact O-N 2.98Å; M66-G69 PolarHBondContact O-N 2.79Å; G69-K71 VanDerWaalsContact C-N 3.33Å; G69-K71 PolarHBondContact O-N 3.29Å
70L39.8Very low39.6Very low138 Ų138133.3 Ų133.372%0.72368%0.675SS**Hα-helixtrans-74.4-20.2178.2-75.8167.4000113.6M66M66-L70 WeakPolarHBondContact O-CG 3.4Å; M66-L70 PolarHBondContact O-N 2.98Å
71K43.2Very low39.1Very low188 Ų188134.6 Ų134.682%0.81769%0.691SS**THydrogen-bonded Turntrans-89.76.8-178.8-152167.1-177.81790114.2G69G69-K71 VanDerWaalsContact C-N 3.33Å; G69-K71 PolarHBondContact O-N 3.29Å
72Q39.9Very low38.4Very low152 Ų152137.4 Ų137.471%0.7171%0.711SS**THydrogen-bonded Turntrans-118.712.1175.7-83.6-176.216.700114.2D74Q72-D74 PolarHBondContact O-N 3.5Å; Q72-D74 VanDerWaalsContact O-N 3.16Å
73A33.2Very low37.8Very low84 Ų84134 Ų13469%0.69471%0.712SS**  trans-80.693.4169.500000109.9
74D33.3Very low37.2Very low144 Ų144137.9 Ų137.977%0.7773%0.734SS**  trans-67.8125.8170.3-133.3-29000109.6Q72 K76Q72-D74 PolarHBondContact O-N 3.5Å; Q72-D74 VanDerWaalsContact O-N 3.16Å; D74-K76 PolarHBondContact O-N 2.99Å; D74-K76 VanDerWaalsContact O-N 3.1Å
75P31.5Very low36.5Very low116 Ų116138.6 Ų138.675%0.75374%0.744SS**SBendtrans-89.870.1-171.835.6-32.9000110.9
76K36.1Very low35.9Very low185 Ų185143 Ų14380%0.80475%0.753SS**  trans-141.914.9176.5-71.9-163.7179.2-176.80117.9D74D74-K76 PolarHBondContact O-N 2.99Å; D74-K76 VanDerWaalsContact O-N 3.1Å
77H35.3Very low35.3Very low197 Ų197142.3 Ų142.391%0.91276%0.76SS**  trans-136.787169.8-103-83000111.6
78V31.8Very low34.7Very low140 Ų140143.4 Ų143.485%0.84877%0.771SS**  trans-116.9100.8166.2173.40000107.2
79Q30.7Very low34.2Very low162 Ų162145.5 Ų145.576%0.75779%0.789SS**  trans-169121.9146.7-116.4166.3-13.400113.4
80K30.3Very low33.8Very low184 Ų184148.6 Ų148.680%0.880%0.803SS**  trans55.4107.6144.1-71.6173175.8179.10118.9
81S32Very low33.5Very low117 Ų117147.7 Ų147.782%0.81881%0.808SS**  172.8126.3107.359.20000114.1
82S32.3Very low33Very low119 Ų119144.9 Ų144.983%0.83281%0.811SS**  trans70.6130.7147.4-127.80000122.7
83P32.2Very low32.6Very low109 Ų109145.2 Ų145.271%0.70882%0.816SS**  trans-96.1138.1-175.837.5-29.9000112.2
84N34.1Very low32.7Very low159 Ų159148.6 Ų148.685%0.8582%0.822SS**  trans17885.4152.1-92.7-28.1000110.3
85H35.2Very low32.7Very low193 Ų193149.2 Ų149.289%0.89483%0.825SS**  trans-165.7114.9140.7-125.4-90.4000110.4
86K30.9Very low32.8Very low192 Ų192149.1 Ų149.184%0.83583%0.827SS**  trans-70.9159.3173.7-67.6174.2175.1178.70110.3
87S31.8Very low32.6Very low112 Ų112147.3 Ų147.378%0.78383%0.826SS**  trans89.3140.4174.7810000115.5
88V33.5Very low32.6Very low137 Ų137143.5 Ų143.583%0.8382%0.819SS**SBendtrans93.238.9-177.7-1550000116.8
89I30.7Very low32.7Very low176 Ų176142.2 Ų142.290%0.90382%0.816SS**  trans-149.667.1155.3-48.9179.5000111.3
90S32.1Very low32.9Very low116 Ų116138.2 Ų138.281%0.81182%0.818SS**SBendtrans-151.332.1174.9-164.80000116.1
91S34Very low32.7Very low119 Ų119136.9 Ų136.983%0.83282%0.819SS**SBendtrans-140.116.7-176.9-50.30000117.6
92C31.4Very low32.8Very low130 Ų130139 Ų13988%0.87882%0.82SS**SBendtrans-131.415.2179.6-66.10000115.7
93I33.1Very low32.6Very low159 Ų159139.8 Ų139.882%0.81581%0.814SS**  trans-127.883.8175.2-53.3175.6000107.4
94N34.2Very low32.8Very low154 Ų154140.6 Ų140.682%0.82482%0.819SS**  trans-175139.6151.8-96.2-29.4000111
95L32.9Very low32.9Very low158 Ų158138.5 Ų138.583%0.82781%0.813SS**  trans90.570.4170.4-84.968.6000118.5
96S34.3Very low32.9Very low114 Ų114135.8 Ų135.880%0.79781%0.81SS**  -42.5121.9123.245.60000114
97N32.3Very low33.2Very low146 Ų146132 Ų13278%0.78181%0.805SS**  trans-167.6130.2130.3-139.54.5000111
98P33.7Very low33.2Very low118 Ų118132.8 Ų132.877%0.76681%0.805SS**  trans-107.5107.2-179.635-21.9000111.5
99S35Very low33.1Very low113 Ų113133.3 Ų133.379%0.7980%0.803SS**  trans-178.4117167.139.40000110.3
100G35.3Very low33.2Very low77 Ų77134.3 Ų134.379%0.79480%0.801SS**  trans159.853.517600000114.5N102G100-N102 PolarHBondContact O-N 2.97Å
101L25.7Very low33.4Very low157 Ų157134.3 Ų134.382%0.82280%0.799SS**  trans-68118.3166.8-165.184.1000108.1
102N34.6Very low33.2Very low160 Ų160138.7 Ų138.786%0.85680%0.803SS**  trans-148.3110.1163.1-92-31.9000109.9G100G100-N102 PolarHBondContact O-N 2.97Å
103I28.3Very low33.5Very low137 Ų137137 Ų13770%0.70380%0.798SS**PPolyproline II helixtrans-94.6125.9173.1-61.6163.2000106.7
104P36.6Very low33.4Very low126 Ų126137.5 Ų137.582%0.81879%0.794SS**PPolyproline II helixtrans-95.3125.3160.9-6.225.4000110.7
105T34.8Very low33.5Very low115 Ų115136.4 Ų136.471%0.70680%0.796SS**PPolyproline II helixtrans-78.9148.9174.540.20000113
106T36.2Very low33.4Very low136 Ų136137 Ų13783%0.83479%0.794SS**  trans79.1147.8149.148.40000121.7
107P35.9Very low33.6Very low112 Ų112134.6 Ų134.673%0.72779%0.787SS**  trans-123.7133.4-142.536-18.3000113.9
108T31.8Very low34.3Very low128 Ų128135.6 Ų135.679%0.78579%0.791SS**  trans-155.6134164.638.70000112.6
109D31.2Very low34.9Very low148 Ų148141.9 Ų141.979%0.79180%0.8SS**  trans6390.8153.5-56.5-31.8000120.3
110F33.3Very low36.1Very low198 Ų198143.3 Ų143.387%0.86879%0.788SS**  trans-116.5130.2149.2-81-80000110.7K112F110-K112 PolarHBondContact O-N 3.31Å
111P36.6Very low38.1Very low116 Ų116143 Ų14375%0.75377%0.774SS**  trans-67132.2177.128.1-31.3000109.8A113P111-A113 PolarHBondContact O-N 3.07Å
112K30.6Very low40.9Very low211 Ų211138 Ų13892%0.91775%0.748SS**  trans-61.891.4174.7-77.7174.2176.2169.30110.8F110 K114F110-K112 PolarHBondContact O-N 3.31Å; K112-K114 PolarHBondContact O-N 3.31Å
113A37.7Very low43.3Very low95 Ų95131.2 Ų131.279%0.78571%0.711SS**  trans-74.8116.6162.900000109.5P111P111-A113 PolarHBondContact O-N 3.07Å
114K31Very low46.1Very low169 Ų169128.7 Ų128.774%0.73570%0.698SS**  trans-60.6130.1178.7-69.1176176.1178.30111.2K112 H116K112-K114 PolarHBondContact O-N 3.31Å; K114-H116 VanDerWaalsContact C-N 3.35Å; K114-H116 PolarHBondContact O-N 2.89Å; K114-H116 VanDerWaalsContact O-N 3.08Å
115P35.4Very low48.5Very low131 Ų131127.5 Ų127.585%0.85168%0.678SS**  trans-85.778.2171.334.8-30000109.5G117P115-G117 PolarHBondContact O-N 3.04Å
116H30.9Very low50.9Low170 Ų170122.3 Ų122.379%0.78765%0.646SS**  trans-92.189.6164.1-74.6-71.4000108.8K114K114-H116 VanDerWaalsContact C-N 3.35Å; K114-H116 PolarHBondContact O-N 2.89Å; K114-H116 VanDerWaalsContact O-N 3.08Å
117G38.7Very low53.5Low64 Ų64117.6 Ų117.666%0.6662%0.616SS**  trans-147.195.8175.600000109.8P115 R119P115-G117 PolarHBondContact O-N 3.04Å; G117-R119 PolarHBondContact O-N 3.39Å; G117-R119 VanDerWaalsContact O-N 3.14Å
118L46.3Very low55.9Low166 Ų166114.1 Ų114.187%0.86959%0.59SS**  trans-33.5115.4175.7-156.676.2000110.7R120L118-R120 VanDerWaalsContact C-N 3.26Å; L118-R120 PolarHBondContact O-N 2.86Å
119R46.8Very low58.4Low251 Ų251109.8 Ų109.895%0.94756%0.562SS**  trans-56.389.7175.8-85.7-172.1172.2-165.4-0.5108.7G117 S121G117-R119 PolarHBondContact O-N 3.39Å; G117-R119 VanDerWaalsContact O-N 3.14Å; R119-S121 PolarHBondContact O-N 3.46Å
120R60.8Low61.1Low142 Ų142103.2 Ų103.254%0.53653%0.527SS..  trans-58.6130.3176.3-72.5-176.2178.6170.2-1107.5L118 L122 L124L118-R120 VanDerWaalsContact C-N 3.26Å; L118-R120 PolarHBondContact O-N 2.86Å; R120-L122 PolarHBondContact O-N 3.45Å; R120-L124 HydrophobicContact CB-CD2 4.42Å; R120-L124 HydrophobicContact CG-CD2 4.26Å
121S77.6Confident63.6Low71 Ų7199.1 Ų99.150%0.49751%0.509SS..  trans-47.8138.6172.3171.20000109.8R119 I123 L124 R125R119-S121 PolarHBondContact O-N 3.46Å; S121-I123 PolarHBondContact O-N 3.04Å; S121-L124 PolarHBondContact O-N 3.24Å; S121-R125 PolarHBondContact O-N 2.98Å
122L83Confident65.9Low52 Ų52102.1 Ų102.127%0.27251%0.506SS..Hα-helixtrans-47.9-35.7178.8179.867.8000111.9L33 R120 S126L33-L122 HydrophobicContact CD2-CD2 4.31Å; R120-L122 PolarHBondContact O-N 3.45Å; L122-S126 WeakPolarHBondContact O-CB 3.42Å; L122-S126 PolarHBondContact O-N 2.89Å; L122-S126 PolarHBondContact O-OG 3.47Å
123I86.2Confident68.4Low17 Ų17100.2 Ų100.29%0.08749%0.494CS..Hα-helixtrans-67.9-48.2178.4-58.2173.7000110.7L26 V29 S121 R125 S126 L127 A375 T376 I379L26-I123 HydrophobicContact CD2-CG2 4.1Å; V29-I123 HydrophobicContact CG1-CG2 4.28Å; S121-I123 PolarHBondContact O-N 3.04Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.24Å; I123-S126 PolarHBondContact O-N 3.19Å; I123-L127 HydrophobicContact CG2-CD1 4.32Å; I123-L127 WeakPolarHBondContact O-CG 3.3Å; I123-L127 PolarHBondContact O-N 3.09Å; I123-A375 HydrophobicContact CD1-CB 4.39Å; I123-T376 WeakPolarHBondContact CG1-OG1 3.45Å; I123-T376 HydrophobicContact CG2-CG2 4.45Å; I123-I379 HydrophobicContact CD1-CD1 3.37Å
124L86.9Confident70.7Confident84 Ų8498.1 Ų98.144%0.4447%0.468SS..Hα-helixtrans-65.4-40.1179.7-175.465000111.2R120 S121 L127 I128R120-L124 HydrophobicContact CB-CD2 4.42Å; R120-L124 HydrophobicContact CG-CD2 4.26Å; S121-L124 PolarHBondContact O-N 3.24Å; L124-L127 PolarHBondContact O-N 3.28Å; L124-I128 HydrophobicContact CD1-CD1 4.27Å; L124-I128 HydrophobicContact CG-CD1 3.95Å; L124-I128 WeakPolarHBondContact O-CB 3.42Å; L124-I128 WeakPolarHBondContact O-CG1 3.4Å; L124-I128 PolarHBondContact O-N 3.3Å
125R85.9Confident73.2Confident102 Ų10291 Ų9139%0.38544%0.443SS..Hα-helixtrans-61.5-47.2172.9-173.8176.8-178.6-176.52.3111.1S44 S121 I123 L127 I128 D129S44-R125 PolarHBondContact O-NH1 2.99Å; S121-R125 PolarHBondContact O-N 2.98Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.24Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-L127 PolarHBondContact O-N 3.35Å; R125-I128 PolarHBondContact O-N 3.46Å; R125-D129 WeakPolarHBondContact O-CB 3.29Å; R125-D129 PolarHBondContact O-N 3.33Å
126S86.9Confident75.6Confident5 Ų588.4 Ų88.44%0.03543%0.426CS..Hα-helixtrans-59.6-42.8176.9-58.50000112L122 I123 D129 I130L122-S126 WeakPolarHBondContact O-CB 3.42Å; L122-S126 PolarHBondContact O-N 2.89Å; L122-S126 PolarHBondContact O-OG 3.47Å; I123-S126 PolarHBondContact O-N 3.19Å; S126-D129 PolarHBondContact O-N 3.36Å; S126-I130 WeakPolarHBondContact O-CD1 3.22Å; S126-I130 WeakPolarHBondContact O-CG1 3.15Å; S126-I130 PolarHBondContact O-N 2.85Å
127L89.1Confident78.2Confident38 Ų3889.2 Ų89.220%0.19943%0.427CS..Hα-helixtrans-60.1-47.5174.9-75.7169.9000111.8P25 V29 I123 L124 R125 I130 F131 L139P25-L127 HydrophobicContact CB-CD2 3.97Å; V29-L127 HydrophobicContact CG2-CD2 3.44Å; V29-L127 VanDerWaalsContact CG2-CD2 3.44Å; V29-L127 HydrophobicContact CG2-CG 3.77Å; I123-L127 HydrophobicContact CG2-CD1 4.32Å; I123-L127 WeakPolarHBondContact O-CG 3.3Å; I123-L127 PolarHBondContact O-N 3.09Å; L124-L127 PolarHBondContact O-N 3.28Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-L127 PolarHBondContact O-N 3.35Å; L127-I130 PolarHBondContact O-N 3.29Å; L127-F131 WeakPolarHBondContact O-CB 3.05Å; L127-F131 PolarHBondContact O-N 2.98Å; L127-L139 HydrophobicContact CD2-CD2 3.89Å
128I87.2Confident80.5Confident38 Ų3886.2 Ų86.220%0.19540%0.396CS..Hα-helixtrans-64.8-41.1179.9-68.7169.1000110.9L124 R125 F131 R132L124-I128 HydrophobicContact CD1-CD1 4.27Å; L124-I128 HydrophobicContact CG-CD1 3.95Å; L124-I128 WeakPolarHBondContact O-CB 3.42Å; L124-I128 WeakPolarHBondContact O-CG1 3.4Å; L124-I128 PolarHBondContact O-N 3.3Å; R125-I128 PolarHBondContact O-N 3.46Å; I128-F131 PolarHBondContact O-N 3.47Å; I128-R132 HydrophobicContact CG2-CG 4.24Å; I128-R132 WeakPolarHBondContact O-CB 3.38Å; I128-R132 WeakPolarHBondContact O-CG 3.46Å; I128-R132 PolarHBondContact O-N 2.74Å
129D85.1Confident82.5Confident37 Ų3779.3 Ų79.320%0.19836%0.36CS..Hα-helixtrans-63.6-44.8178.1-69.9-16000110.4R125 S126 F131 R132 Y133R125-D129 WeakPolarHBondContact O-CB 3.29Å; R125-D129 PolarHBondContact O-N 3.33Å; S126-D129 PolarHBondContact O-N 3.36Å; D129-F131 PolarHBondContact O-N 3.08Å; D129-R132 PolarHBondContact O-N 2.95Å; D129-Y133 HydrophobicContact CB-CD2 4.01Å; D129-Y133 HydrophobicContact CB-CE2 4.23Å; D129-Y133 WeakPolarHBondContact O-CB 3.38Å; D129-Y133 WeakPolarHBondContact O-CD2 3.49Å; D129-Y133 PolarHBondContact O-N 2.68Å
130I86.4Confident84.6Confident10 Ų1071.8 Ų71.85%0.05133%0.334CS..Hα-helixtrans-61.2-47.6175.9-63.6169000110.5V28 V29 S126 L127 R132 E134 G135 A138 L139V28-I130 HydrophobicContact CG1-CD1 4.14Å; V29-I130 HydrophobicContact CG2-CD1 3.74Å; S126-I130 WeakPolarHBondContact O-CD1 3.22Å; S126-I130 WeakPolarHBondContact O-CG1 3.15Å; S126-I130 PolarHBondContact O-N 2.85Å; L127-I130 PolarHBondContact O-N 3.29Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-R132 PolarHBondContact O-N 2.97Å; I130-E134 WeakPolarHBondContact O-CB 3.13Å; I130-E134 PolarHBondContact O-N 2.89Å; I130-G135 PolarHBondContact O-N 2.9Å; I130-A138 HydrophobicContact CG2-CB 3.73Å; I130-L139 HydrophobicContact CB-CD2 4.03Å; I130-L139 HydrophobicContact CD1-CD2 4.44Å; I130-L139 HydrophobicContact CG2-CD2 3.67Å; I130-L139 HydrophobicContact CG2-CG 4.17Å
131F87.1Confident85.9Confident113 Ų11366.4 Ų66.450%0.49632%0.315SS..Hα-helixtrans-60.9-41.3-179.7-171.9-85.7000112.2L127 I128 D129 G135 P136 L139L127-F131 WeakPolarHBondContact O-CB 3.05Å; L127-F131 PolarHBondContact O-N 2.98Å; I128-F131 PolarHBondContact O-N 3.47Å; D129-F131 PolarHBondContact O-N 3.08Å; F131-G135 CarbonylContact O-C 3.49Å; F131-G135 WeakPolarHBondContact O-CA 3.5Å; F131-G135 PolarHBondContact O-N 2.93Å; F131-P136 HydrophobicContact CD2-CB 4.08Å; F131-P136 HydrophobicContact CE2-CB 3.64Å; F131-P136 HydrophobicContact CZ-CB 4.23Å; F131-L139 HydrophobicContact CD2-CD1 3.99Å
132R84.3Confident86.4Confident179 Ų17963.3 Ų63.368%0.67529%0.294SS*.Hα-helixtrans-79.6-43.6-177.8-73.3-178.1177.5-170.4-4.5113.9I128 D129 I130I128-R132 HydrophobicContact CG2-CG 4.24Å; I128-R132 WeakPolarHBondContact O-CB 3.38Å; I128-R132 WeakPolarHBondContact O-CG 3.46Å; I128-R132 PolarHBondContact O-N 2.74Å; D129-R132 PolarHBondContact O-N 2.95Å; I130-R132 VanDerWaalsContact C-N 3.33Å; I130-R132 PolarHBondContact O-N 2.97Å
133Y83.9Confident86.7Confident171 Ų17162.2 Ų62.267%0.67129%0.288SS*.Hα-helixtrans-90-26-172.1-67.5-68.5000114D129D129-Y133 HydrophobicContact CB-CD2 4.01Å; D129-Y133 HydrophobicContact CB-CE2 4.23Å; D129-Y133 WeakPolarHBondContact O-CB 3.38Å; D129-Y133 WeakPolarHBondContact O-CD2 3.49Å; D129-Y133 PolarHBondContact O-N 2.68Å
134E84.7Confident87Confident50 Ų5066 Ų6623%0.23431%0.312CS..THydrogen-bonded Turntrans-115.9-13.6179.9-63.8-176.4-14600113.7R32 I130 A138 K141 S209R32-E134 IonicContact CZ-OE1 2.9Å; R32-E134 VanDerWaalsContact CZ-OE1 3.29Å; R32-E134 IonicContact CZ-OE2 3.08Å; R32-E134 VanDerWaalsContact NH1-CD 3.34Å; R32-E134 IonicContact NH1-OE1 2.66Å; R32-E134 PolarHBondContact NH1-OE1 3.41Å; R32-E134 IonicContact NH1-OE2 3.87Å; R32-E134 VanDerWaalsContact NH2-CD 3.3Å; R32-E134 IonicContact NH2-OE1 3.67Å; R32-E134 PolarHBondContact NH2-OE1 3.39Å; R32-E134 VanDerWaalsContact NH2-OE1 3.14Å; R32-E134 IonicContact NH2-OE2 3.14Å; R32-E134 PolarHBondContact NH2-OE2 2.74Å; I130-E134 WeakPolarHBondContact O-CB 3.13Å; I130-E134 PolarHBondContact O-N 2.89Å; E134-A138 HydrophobicContact CB-CB 3.46Å; E134-A138 VanDerWaalsContact CB-CB 3.46Å; E134-K141 IonicContact OE2-NZ 3.79Å; E134-K141 PolarHBondContact OE2-NZ 3.41Å; E134-S209 VanDerWaalsContact OE1-CA 3.23Å; E134-S209 WeakPolarHBondContact OE1-CA 3.24Å; E134-S209 WeakPolarHBondContact OE1-CB 3.31Å
135G83.3Confident87.2Confident21 Ų2162.5 Ų62.522%0.21629%0.294CS..  trans91.3166-178.100000113.8I130 F131 K137 A138I130-G135 PolarHBondContact O-N 2.9Å; F131-G135 CarbonylContact O-C 3.49Å; F131-G135 WeakPolarHBondContact O-CA 3.5Å; F131-G135 PolarHBondContact O-N 2.93Å; G135-K137 VanDerWaalsContact C-N 3.28Å; G135-K137 PolarHBondContact O-N 2.92Å; G135-A138 VanDerWaalsContact O-CB 3.25Å; G135-A138 WeakPolarHBondContact O-CB 3.32Å; G135-A138 PolarHBondContact O-N 2.76Å
136P85.5Confident87.5Confident75 Ų7558 Ų5849%0.48728%0.278SS..G310 helixtrans-60.9-33.6-174.421.7-33.4000113.5F131 A138 L139F131-P136 HydrophobicContact CD2-CB 4.08Å; F131-P136 HydrophobicContact CE2-CB 3.64Å; F131-P136 HydrophobicContact CZ-CB 4.23Å; P136-A138 PolarHBondContact O-N 3.07Å; P136-L139 PolarHBondContact O-N 3.07Å
137K86.2Confident87.7Confident187 Ų18760.6 Ų60.681%0.81329%0.291SS*.G310 helixtrans-63.4-22178.8-65.6-176.5179.41800112.7G135 L139 F140G135-K137 VanDerWaalsContact C-N 3.28Å; G135-K137 PolarHBondContact O-N 2.92Å; K137-L139 VanDerWaalsContact C-N 3.28Å; K137-L139 PolarHBondContact O-N 3.2Å; K137-F140 PolarHBondContact O-N 2.98Å
138A86.2Confident87.8Confident2 Ų263 Ų632%0.01731%0.307CS..G310 helixtrans-66.6-28.2179.800000113.2I130 E134 G135 P136 F140 K141I130-A138 HydrophobicContact CG2-CB 3.73Å; E134-A138 HydrophobicContact CB-CB 3.46Å; E134-A138 VanDerWaalsContact CB-CB 3.46Å; G135-A138 VanDerWaalsContact O-CB 3.25Å; G135-A138 WeakPolarHBondContact O-CB 3.32Å; G135-A138 PolarHBondContact O-N 2.76Å; P136-A138 PolarHBondContact O-N 3.07Å; A138-F140 PolarHBondContact O-N 2.77Å; A138-K141 HydrophobicContact CB-CD 4.31Å; A138-K141 WeakPolarHBondContact O-CB 3.21Å; A138-K141 WeakPolarHBondContact O-CG 3.3Å; A138-K141 PolarHBondContact O-N 2.77Å
139L88.7Confident87.9Confident20 Ų2061.2 Ų61.211%0.10530%0.298CS..G310 helixtrans-68.6-15.7176.7-65.5174.3000113.3C24 P25 V28 L127 I130 F131 P136 K137C24-L139 CarbonylContact C-O 3.51Å; P25-L139 HydrophobicContact CB-CB 4.15Å; P25-L139 HydrophobicContact CB-CD1 4.46Å; P25-L139 HydrophobicContact CB-CD2 4.17Å; P25-L139 HydrophobicContact CB-CG 4.5Å; P25-L139 HydrophobicContact CG-CB 4.21Å; V28-L139 WeakPolarHBondContact CG2-O 3.39Å; L127-L139 HydrophobicContact CD2-CD2 3.89Å; I130-L139 HydrophobicContact CB-CD2 4.03Å; I130-L139 HydrophobicContact CD1-CD2 4.44Å; I130-L139 HydrophobicContact CG2-CD2 3.67Å; I130-L139 HydrophobicContact CG2-CG 4.17Å; F131-L139 HydrophobicContact CD2-CD1 3.99Å; P136-L139 PolarHBondContact O-N 3.07Å; K137-L139 VanDerWaalsContact C-N 3.28Å; K137-L139 PolarHBondContact O-N 3.2Å
140F91.1Very high88Confident93 Ų9360.8 Ų60.841%0.40830%0.297SS..G310 helixtrans-109.913.8179-61.5-82.7000112.7V21 C24 K137 A138 G142 L143V21-F140 HydrophobicContact CG1-CE1 4.31Å; C24-F140 HydrophobicContact CB-CD1 4.03Å; C24-F140 HydrophobicContact CB-CE1 4.44Å; K137-F140 PolarHBondContact O-N 2.98Å; A138-F140 PolarHBondContact O-N 2.77Å; F140-G142 PolarHBondContact O-N 2.97Å; F140-L143 HydrophobicContact CD1-CD2 4.23Å; F140-L143 VanDerWaalsContact O-CB 3.29Å; F140-L143 WeakPolarHBondContact O-CB 3.39Å; F140-L143 PolarHBondContact O-N 2.85Å; F140-L143 VanDerWaalsContact O-N 3.15Å
141K87.9Confident87.9Confident30 Ų3064.3 Ų64.313%0.1331%0.314CS..THydrogen-bonded Turntrans-60.1129.1173.3-79.8173.7174.8177.60110E134 A138 Q206 D208E134-K141 IonicContact OE2-NZ 3.79Å; E134-K141 PolarHBondContact OE2-NZ 3.41Å; A138-K141 HydrophobicContact CB-CD 4.31Å; A138-K141 WeakPolarHBondContact O-CB 3.21Å; A138-K141 WeakPolarHBondContact O-CG 3.3Å; A138-K141 PolarHBondContact O-N 2.77Å; K141-Q206 WeakPolarHBondContact O-CG 3.22Å; K141-D208 PolarHBondContact NZ-O 2.94Å; K141-D208 IonicContact NZ-OD2 2.7Å
142G88.2Confident88Confident6 Ų661.8 Ų61.86%0.06231%0.309CS..THydrogen-bonded Turntrans85.61.6-178.500000115.1F140 P145 T146F140-G142 PolarHBondContact O-N 2.97Å; G142-P145 WeakPolarHBondContact O-CD 3.28Å; G142-T146 PolarHBondContact O-N 3.48Å; G142-T146 VanDerWaalsContact O-N 3.16Å; G142-T146 PolarHBondContact O-OG1 2.99Å
143L90.5Very high88.3Confident29 Ų2954.5 Ų54.515%0.15228%0.284CS..Hα-helixtrans-60.7-47.8175.8-177.263.7000111.7A20 V21 F140 T146 L147A20-L143 HydrophobicContact CB-CD1 4.45Å; V21-L143 HydrophobicContact CG2-CD1 3.89Å; V21-L143 HydrophobicContact CG2-CD2 4.09Å; F140-L143 HydrophobicContact CD1-CD2 4.23Å; F140-L143 VanDerWaalsContact O-CB 3.29Å; F140-L143 WeakPolarHBondContact O-CB 3.39Å; F140-L143 PolarHBondContact O-N 2.85Å; F140-L143 VanDerWaalsContact O-N 3.15Å; L143-T146 WeakPolarHBondContact O-CA 3.44Å; L143-T146 VanDerWaalsContact O-CB 3.25Å; L143-T146 WeakPolarHBondContact O-CB 3.47Å; L143-T146 PolarHBondContact O-N 2.89Å; L143-L147 HydrophobicContact CD1-CD1 4.46Å; L143-L147 HydrophobicContact CD1-CD2 4.31Å; L143-L147 HydrophobicContact CD1-CG 4.22Å; L143-L147 HydrophobicContact CG-CD1 4.14Å; L143-L147 HydrophobicContact CG-CG 4.28Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 3.27Å
144V91.2Very high88.5Confident96 Ų9653.6 Ų53.658%0.58228%0.28SS*.Hα-helixtrans-57.4-53-178.9172.30000112.6T146 L147 V148V144-T146 PolarHBondContact O-N 2.96Å; V144-L147 PolarHBondContact O-N 2.88Å; V144-V148 WeakPolarHBondContact O-CG2 3.19Å; V144-V148 PolarHBondContact O-N 3.49Å
145P91.9Very high88.7Confident11 Ų1153.3 Ų53.37%0.07129%0.29CS..Hα-helixtrans-58.2-31.9172.6-27.335.1000114.1G142 G149 I198 V201 K202 L205 V218G142-P145 WeakPolarHBondContact O-CD 3.28Å; P145-G149 PolarHBondContact O-N 3.38Å; P145-I198 HydrophobicContact CB-CG2 4.24Å; P145-I198 WeakPolarHBondContact O-CG2 3.32Å; P145-V201 HydrophobicContact CG-CG1 4.18Å; P145-K202 HydrophobicContact CB-CB 4Å; P145-L205 HydrophobicContact CG-CD1 3.86Å; P145-V218 HydrophobicContact CG-CG2 3.96Å
146T91.7Very high89.2Confident6 Ų654.4 Ų54.44%0.03729%0.291CS..Hα-helixtrans-65-49.6176.5-55.60000110.5A20 G142 L143 V144 V148 G149 V150 K202A20-T146 HydrophobicContact CB-CG2 3.83Å; G142-T146 PolarHBondContact O-N 3.48Å; G142-T146 VanDerWaalsContact O-N 3.16Å; G142-T146 PolarHBondContact O-OG1 2.99Å; L143-T146 WeakPolarHBondContact O-CA 3.44Å; L143-T146 VanDerWaalsContact O-CB 3.25Å; L143-T146 WeakPolarHBondContact O-CB 3.47Å; L143-T146 PolarHBondContact O-N 2.89Å; V144-T146 PolarHBondContact O-N 2.96Å; T146-V148 PolarHBondContact O-N 3.47Å; T146-G149 PolarHBondContact O-N 3.29Å; T146-G149 VanDerWaalsContact O-N 3.15Å; T146-V150 HydrophobicContact CG2-CG2 4.26Å; T146-V150 VanDerWaalsContact O-CG2 3.24Å; T146-V150 WeakPolarHBondContact O-CG2 3.5Å; T146-V150 PolarHBondContact O-N 2.98Å; T146-K202 WeakPolarHBondContact OG1-CD 3.48Å; T146-K202 WeakPolarHBondContact OG1-CE 3.33Å; T146-K202 PolarHBondContact OG1-NZ 2.84Å
147L90.6Very high89.5Confident60 Ų6053.5 Ų53.531%0.31428%0.278SS..Hα-helixtrans-61.4-45.8179.8-62.5-179.2000111.8T17 L143 V144 G149T17-L147 HydrophobicContact CG2-CD2 3.55Å; L143-L147 HydrophobicContact CD1-CD1 4.46Å; L143-L147 HydrophobicContact CD1-CD2 4.31Å; L143-L147 HydrophobicContact CD1-CG 4.22Å; L143-L147 HydrophobicContact CG-CD1 4.14Å; L143-L147 HydrophobicContact CG-CG 4.28Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 3.27Å; V144-L147 PolarHBondContact O-N 2.88Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.07Å
148V91.1Very high89.7Confident89 Ų8950.4 Ų50.454%0.53927%0.265SS..Hα-helixtrans-64-33.1176.6174.60000111.7V144 T146 P152V144-V148 WeakPolarHBondContact O-CG2 3.19Å; V144-V148 PolarHBondContact O-N 3.49Å; T146-V148 PolarHBondContact O-N 3.47Å; V148-P152 WeakPolarHBondContact O-CD 3.06Å; V148-P152 VanDerWaalsContact O-CG 3.26Å; V148-P152 WeakPolarHBondContact O-CG 3.29Å
149G89.9Confident90.1Very high0 Ų053.8 Ų53.80%029%0.288CS..Hα-helixtrans-80.5-30.8-176.600000115.2P145 T146 L147 T153P145-G149 PolarHBondContact O-N 3.38Å; T146-G149 PolarHBondContact O-N 3.29Å; T146-G149 VanDerWaalsContact O-N 3.15Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.07Å; G149-T153 VanDerWaalsContact O-CB 3.25Å; G149-T153 WeakPolarHBondContact O-CB 3.45Å; G149-T153 PolarHBondContact O-N 3.05Å; G149-T153 VanDerWaalsContact O-N 3.09Å; G149-T153 PolarHBondContact O-OG1 3.01Å
150V86.4Confident90.3Very high29 Ų2953.4 Ų53.418%0.17629%0.287CS..Hα-helixtrans-63.3-51.2-169.8165.80000112.5T146 R154T146-V150 HydrophobicContact CG2-CG2 4.26Å; T146-V150 VanDerWaalsContact O-CG2 3.24Å; T146-V150 WeakPolarHBondContact O-CG2 3.5Å; T146-V150 PolarHBondContact O-N 2.98Å; V150-R154 WeakPolarHBondContact O-CG 3.46Å; V150-R154 PolarHBondContact O-N 3.44Å
151M84.9Confident90.4Very high84 Ų8451.4 Ų51.441%0.41428%0.277SS..Hα-helixtrans-65.6-51.3-178.1-70.1-70.498.800112.9T153 R154 G155M151-T153 VanDerWaalsContact C-N 3.32Å; M151-T153 PolarHBondContact O-N 3.28Å; M151-R154 PolarHBondContact O-N 2.8Å; M151-G155 PolarHBondContact O-N 3.4Å; M151-G155 VanDerWaalsContact O-N 3.07Å
152P90.4Very high90.6Very high59 Ų5955 Ų5538%0.38329%0.294SS..Hα-helixtrans-62.8-37.6179.7-24.236.1000112.8V148 R154 G155 I156V148-P152 WeakPolarHBondContact O-CD 3.06Å; V148-P152 VanDerWaalsContact O-CG 3.26Å; V148-P152 WeakPolarHBondContact O-CG 3.29Å; P152-R154 VanDerWaalsContact C-N 3.27Å; P152-R154 PolarHBondContact O-N 3.48Å; P152-G155 PolarHBondContact O-N 3.49Å; P152-I156 WeakPolarHBondContact O-CB 3.21Å; P152-I156 WeakPolarHBondContact O-CD1 3.13Å; P152-I156 WeakPolarHBondContact O-CG1 3.39Å; P152-I156 PolarHBondContact O-N 3.32Å
153T90.6Very high90.8Very high26 Ų2659 Ų5916%0.1631%0.314CS..Hα-helixtrans-58.9-42177.8-570000111.1G149 M151 Y157 A191 T195G149-T153 VanDerWaalsContact O-CB 3.25Å; G149-T153 WeakPolarHBondContact O-CB 3.45Å; G149-T153 PolarHBondContact O-N 3.05Å; G149-T153 VanDerWaalsContact O-N 3.09Å; G149-T153 PolarHBondContact O-OG1 3.01Å; M151-T153 VanDerWaalsContact C-N 3.32Å; M151-T153 PolarHBondContact O-N 3.28Å; T153-Y157 VanDerWaalsContact O-CB 3.29Å; T153-Y157 WeakPolarHBondContact O-CB 3.28Å; T153-Y157 PolarHBondContact O-N 3.16Å; T153-A191 HydrophobicContact CG2-CB 4.31Å; T153-T195 WeakPolarHBondContact OG1-CG2 3.33Å
154R86.8Confident90.9Very high152 Ų15257.8 Ų57.857%0.57431%0.308SS*.Hα-helixtrans-68.7-45.4178-66.9-63-173.7179.32.9111.9V150 M151 P152 I156 Y157 F158V150-R154 WeakPolarHBondContact O-CG 3.46Å; V150-R154 PolarHBondContact O-N 3.44Å; M151-R154 PolarHBondContact O-N 2.8Å; P152-R154 VanDerWaalsContact C-N 3.27Å; P152-R154 PolarHBondContact O-N 3.48Å; R154-I156 PolarHBondContact O-N 3.28Å; R154-Y157 WeakPolarHBondContact O-CB 3.21Å; R154-Y157 PolarHBondContact O-N 2.96Å; R154-F158 HydrophobicContact CB-CE2 4.48Å; R154-F158 WeakPolarHBondContact O-CD2 3.32Å; R154-F158 PolarHBondContact O-N 3.48Å
155G89.7Confident90.9Very high44 Ų4454.5 Ų54.545%0.45429%0.287SS..Hα-helixtrans-59.2-47176.700000112.6M151 P152 Y157 F158 C159M151-G155 PolarHBondContact O-N 3.4Å; M151-G155 VanDerWaalsContact O-N 3.07Å; P152-G155 PolarHBondContact O-N 3.49Å; G155-Y157 VanDerWaalsContact C-N 3.35Å; G155-Y157 PolarHBondContact O-N 3.45Å; G155-F158 PolarHBondContact O-N 2.96Å; G155-C159 WeakPolarHBondContact O-CB 3.42Å; G155-C159 PolarHBondContact O-N 3.33Å
156I93.2Very high90.9Very high45 Ų4558 Ų5823%0.23130%0.304CS..Hα-helixtrans-61.4-44.5176.6-66.9164.3000110.7P152 R154 C159 A160 T190 A191 L194 T195P152-I156 WeakPolarHBondContact O-CB 3.21Å; P152-I156 WeakPolarHBondContact O-CD1 3.13Å; P152-I156 WeakPolarHBondContact O-CG1 3.39Å; P152-I156 PolarHBondContact O-N 3.32Å; R154-I156 PolarHBondContact O-N 3.28Å; I156-C159 PolarHBondContact O-N 3.32Å; I156-A160 VanDerWaalsContact O-CB 3.27Å; I156-A160 WeakPolarHBondContact O-CB 3.34Å; I156-A160 PolarHBondContact O-N 3.31Å; I156-T190 HydrophobicContact CG2-CG2 4.09Å; I156-A191 HydrophobicContact CG2-CB 4.08Å; I156-L194 HydrophobicContact CD1-CB 4.1Å; I156-L194 HydrophobicContact CD1-CD1 4.33Å; I156-L194 HydrophobicContact CG2-CD1 3.76Å; I156-T195 HydrophobicContact CD1-CG2 3.75Å
157Y91.6Very high91Very high56 Ų5662.6 Ų62.622%0.2232%0.324CS..Hα-helixtrans-57.7-51.4177.7173.6-91.1000111.4T153 R154 G155 A160 Y161T153-Y157 VanDerWaalsContact O-CB 3.29Å; T153-Y157 WeakPolarHBondContact O-CB 3.28Å; T153-Y157 PolarHBondContact O-N 3.16Å; R154-Y157 WeakPolarHBondContact O-CB 3.21Å; R154-Y157 PolarHBondContact O-N 2.96Å; G155-Y157 VanDerWaalsContact C-N 3.35Å; G155-Y157 PolarHBondContact O-N 3.45Å; Y157-A160 PolarHBondContact O-N 3.37Å; Y157-Y161 WeakPolarHBondContact O-CB 3.04Å; Y157-Y161 PolarHBondContact O-N 3.35Å
158F91.1Very high91Very high121 Ų12161.5 Ų61.553%0.53132%0.317SS..Hα-helixtrans-66.8-38.9-177.8-74.8-62.8000112.6R154 G155 Y161 H162R154-F158 HydrophobicContact CB-CE2 4.48Å; R154-F158 WeakPolarHBondContact O-CD2 3.32Å; R154-F158 PolarHBondContact O-N 3.48Å; G155-F158 PolarHBondContact O-N 2.96Å; F158-Y161 PolarHBondContact O-N 2.93Å; F158-H162 WeakPolarHBondContact O-CB 3.47Å; F158-H162 PolarHBondContact O-N 3.45Å
159C93.5Very high91Very high74 Ų7460.3 Ų60.350%0.531%0.306SS..Hα-helixtrans-63-48.7175.1-179.40000111.7G155 I156 H162 N163G155-C159 WeakPolarHBondContact O-CB 3.42Å; G155-C159 PolarHBondContact O-N 3.33Å; I156-C159 PolarHBondContact O-N 3.32Å; C159-H162 PolarHBondContact O-N 3.46Å; C159-N163 WeakPolarHBondContact O-CB 3.42Å; C159-N163 PolarHBondContact O-N 3.02Å; C159-N163 PolarHBondContact O-ND2 3.26Å
160A94.9Very high91Very high11 Ų1168.3 Ų68.39%0.09134%0.34CS..Hα-helixtrans-69.1-33.7178.500000112.8I156 Y157 G164 T190I156-A160 VanDerWaalsContact O-CB 3.27Å; I156-A160 WeakPolarHBondContact O-CB 3.34Å; I156-A160 PolarHBondContact O-N 3.31Å; Y157-A160 PolarHBondContact O-N 3.37Å; A160-G164 PolarHBondContact O-N 3.42Å; A160-T190 HydrophobicContact CB-CG2 3.77Å
161Y91.6Very high91.2Very high52 Ų5274.6 Ų74.620%0.20436%0.362CS..Hα-helixtrans-62-52.5172173.9-97.4000110.7Y157 F158 N163 G164 Q165 Y180 A183 A184Y157-Y161 WeakPolarHBondContact O-CB 3.04Å; Y157-Y161 PolarHBondContact O-N 3.35Å; F158-Y161 PolarHBondContact O-N 2.93Å; Y161-N163 PolarHBondContact O-N 3.06Å; Y161-G164 CarbonylContact O-C 3.58Å; Y161-G164 WeakPolarHBondContact O-CA 3.22Å; Y161-G164 PolarHBondContact O-N 2.96Å; Y161-G164 VanDerWaalsContact O-N 3.07Å; Y161-Q165 HydrophobicContact CD1-CG 4.36Å; Y161-Q165 HydrophobicContact CE1-CG 4.05Å; Y161-Q165 HydrophobicContact CE2-CG 4.48Å; Y161-Q165 WeakPolarHBondContact O-CG 3.28Å; Y161-Q165 PolarHBondContact O-N 3.19Å; Y161-Q165 PolarHBondContact OH-NE2 3.11Å; Y161-Y180 VanDerWaalsContact OH-CD1 3.26Å; Y161-Y180 WeakPolarHBondContact OH-CD1 3.35Å; Y161-A183 HydrophobicContact CD2-CB 3.91Å; Y161-A183 HydrophobicContact CE2-CB 3.97Å; Y161-A184 HydrophobicContact CD2-CB 4.26Å; Y161-A184 HydrophobicContact CE2-CB 4.19Å
162H92.8Very high91.3Very high104 Ų10475.2 Ų75.248%0.48136%0.363SS..Hα-helixtrans-60.2-46.8-179.9-175.265.6000112F158 C159 G164 Q165 L166F158-H162 WeakPolarHBondContact O-CB 3.47Å; F158-H162 PolarHBondContact O-N 3.45Å; C159-H162 PolarHBondContact O-N 3.46Å; H162-G164 VanDerWaalsContact C-N 3.28Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-Q165 WeakPolarHBondContact O-CB 3.35Å; H162-Q165 PolarHBondContact O-N 3.41Å; H162-L166 WeakPolarHBondContact O-CG 3.36Å; H162-L166 PolarHBondContact O-N 3.28Å; H162-L166 VanDerWaalsContact O-N 3.08Å
163N93.4Very high91Very high91 Ų9180 Ų8049%0.48738%0.38SS..Hα-helixtrans-62.7-35.3174.6-71.5-25.8000112.5C159 Y161 F167C159-N163 WeakPolarHBondContact O-CB 3.42Å; C159-N163 PolarHBondContact O-N 3.02Å; C159-N163 PolarHBondContact O-ND2 3.26Å; Y161-N163 PolarHBondContact O-N 3.06Å; N163-F167 WeakPolarHBondContact O-CB 3.31Å; N163-F167 PolarHBondContact O-N 3.46Å
164G92.7Very high90.5Very high3 Ų383.5 Ų83.53%0.03140%0.403CS..Hα-helixtrans-64-42.1173.800000112.5A160 Y161 H162 F167 F168A160-G164 PolarHBondContact O-N 3.42Å; Y161-G164 CarbonylContact O-C 3.58Å; Y161-G164 WeakPolarHBondContact O-CA 3.22Å; Y161-G164 PolarHBondContact O-N 2.96Å; Y161-G164 VanDerWaalsContact O-N 3.07Å; H162-G164 VanDerWaalsContact C-N 3.28Å; H162-G164 PolarHBondContact O-N 3.33Å; G164-F167 PolarHBondContact O-N 2.9Å; G164-F168 WeakPolarHBondContact O-CD2 3.45Å; G164-F168 PolarHBondContact O-N 3.32Å
165Q91.3Very high90.1Very high28 Ų2878.1 Ų78.113%0.13140%0.395CS..Hα-helixtrans-59.4-53.2174.7-65.5174.5-68.200110.4Y161 H162 F167 F168 E169 Y180 A183Y161-Q165 HydrophobicContact CD1-CG 4.36Å; Y161-Q165 HydrophobicContact CE1-CG 4.05Å; Y161-Q165 HydrophobicContact CE2-CG 4.48Å; Y161-Q165 WeakPolarHBondContact O-CG 3.28Å; Y161-Q165 PolarHBondContact O-N 3.19Å; Y161-Q165 PolarHBondContact OH-NE2 3.11Å; H162-Q165 WeakPolarHBondContact O-CB 3.35Å; H162-Q165 PolarHBondContact O-N 3.41Å; Q165-F167 PolarHBondContact O-N 3.23Å; Q165-F167 VanDerWaalsContact O-N 3.15Å; Q165-F168 PolarHBondContact O-N 2.74Å; Q165-F168 VanDerWaalsContact O-N 3.11Å; Q165-E169 WeakPolarHBondContact O-CB 3.3Å; Q165-E169 VanDerWaalsContact O-CG 3.25Å; Q165-E169 WeakPolarHBondContact O-CG 3.15Å; Q165-E169 PolarHBondContact O-N 2.87Å; Q165-Y180 HydrophobicContact CG-CD1 4.49Å; Q165-Y180 VanDerWaalsContact NE2-CD1 3.27Å; Q165-A183 HydrophobicContact CB-CB 4.38Å; Q165-A183 HydrophobicContact CG-CB 3.54Å
166L91.8Very high89.9Confident83 Ų8377.5 Ų77.544%0.43538%0.384SS..Hα-helixtrans-57.5-31.9178.4-66.3176.5000113.1H162 K170H162-L166 WeakPolarHBondContact O-CG 3.36Å; H162-L166 PolarHBondContact O-N 3.28Å; H162-L166 VanDerWaalsContact O-N 3.08Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å
167F92.6Very high89.5Confident104 Ų10480.2 Ų80.246%0.45641%0.407SS..Hα-helixtrans-72.7-46.8176.3179.8-96000112.2N163 G164 Q165 K170 Y171N163-F167 WeakPolarHBondContact O-CB 3.31Å; N163-F167 PolarHBondContact O-N 3.46Å; G164-F167 PolarHBondContact O-N 2.9Å; Q165-F167 PolarHBondContact O-N 3.23Å; Q165-F167 VanDerWaalsContact O-N 3.15Å; F167-K170 WeakPolarHBondContact O-CB 3.31Å; F167-K170 PolarHBondContact O-N 3.4Å; F167-Y171 HydrophobicContact CD2-CE2 4.48Å; F167-Y171 HydrophobicContact CE1-CD2 4.4Å; F167-Y171 HydrophobicContact CE1-CE2 4.07Å; F167-Y171 AromaticContact CE2-CE2 3.97Å; F167-Y171 HydrophobicContact CE2-CE2 3.97Å; F167-Y171 AromaticContact CZ-CE2 3.74Å; F167-Y171 HydrophobicContact CZ-CE2 3.74Å; F167-Y171 WeakPolarHBondContact O-CD2 3.27Å
168F90.6Very high89.2Confident36 Ų3682.6 Ų82.616%0.15842%0.418CS..Hα-helixtrans-77.9-29.8-176.7-72.2-64.8000113.7G164 Q165 K170 Y171 F172 V179 C182 I186G164-F168 WeakPolarHBondContact O-CD2 3.45Å; G164-F168 PolarHBondContact O-N 3.32Å; Q165-F168 PolarHBondContact O-N 2.74Å; Q165-F168 VanDerWaalsContact O-N 3.11Å; F168-K170 PolarHBondContact O-N 3.38Å; F168-Y171 PolarHBondContact O-N 2.85Å; F168-F172 HydrophobicContact CB-CD2 4.48Å; F168-F172 HydrophobicContact CD1-CD2 4.26Å; F168-F172 HydrophobicContact CD1-CE2 4.18Å; F168-F172 PolarHBondContact O-N 3.47Å; F168-V179 HydrophobicContact CB-CB 4.35Å; F168-V179 HydrophobicContact CB-CG1 4.07Å; F168-V179 HydrophobicContact CB-CG2 4Å; F168-C182 HydrophobicContact CD1-CB 4.37Å; F168-C182 HydrophobicContact CD2-CB 3.62Å; F168-C182 HydrophobicContact CE1-CB 4.11Å; F168-C182 HydrophobicContact CE2-CB 3.31Å; F168-C182 HydrophobicContact CG-CB 4.16Å; F168-C182 HydrophobicContact CZ-CB 3.59Å; F168-I186 HydrophobicContact CD2-CD1 4.41Å; F168-I186 HydrophobicContact CE2-CD1 3.35Å; F168-I186 HydrophobicContact CE2-CG1 4.13Å; F168-I186 HydrophobicContact CZ-CD1 3.75Å
169E91Very high89.1Confident65 Ų6576.9 Ų76.930%0.30439%0.393SS..THydrogen-bonded Turntrans-62.8-17.5173.5-71.3176.9170.100112.9Q165 V179Q165-E169 WeakPolarHBondContact O-CB 3.3Å; Q165-E169 VanDerWaalsContact O-CG 3.25Å; Q165-E169 WeakPolarHBondContact O-CG 3.15Å; Q165-E169 PolarHBondContact O-N 2.87Å; E169-V179 HydrophobicContact CG-CG1 3.78Å
170K90.5Very high88.9Confident168 Ų16877.8 Ų77.873%0.7339%0.387SS*.THydrogen-bonded Turntrans-73.2-27.3171.9-67.8175.8-176.9-173.60113.5L166 F167 F168L166-K170 WeakPolarHBondContact O-CG 3.39Å; F167-K170 WeakPolarHBondContact O-CB 3.31Å; F167-K170 PolarHBondContact O-N 3.4Å; F168-K170 PolarHBondContact O-N 3.38Å
171Y89.4Confident88.6Confident161 Ų16182.1 Ų82.163%0.63141%0.408SS*.THydrogen-bonded Turntrans-110.2-23.8-174.1-62.1-76.9000113.1F167 F168F167-Y171 HydrophobicContact CD2-CE2 4.48Å; F167-Y171 HydrophobicContact CE1-CD2 4.4Å; F167-Y171 HydrophobicContact CE1-CE2 4.07Å; F167-Y171 AromaticContact CE2-CE2 3.97Å; F167-Y171 HydrophobicContact CE2-CE2 3.97Å; F167-Y171 AromaticContact CZ-CE2 3.74Å; F167-Y171 HydrophobicContact CZ-CE2 3.74Å; F167-Y171 WeakPolarHBondContact O-CD2 3.27Å; F168-Y171 PolarHBondContact O-N 2.85Å
172F88.3Confident88.6Confident97 Ų9781 Ų8143%0.42541%0.408SS..SBendtrans-125.6162-176-63.7-81.7000110.9F168 F178 V179F168-F172 HydrophobicContact CB-CD2 4.48Å; F168-F172 HydrophobicContact CD1-CD2 4.26Å; F168-F172 HydrophobicContact CD1-CE2 4.18Å; F168-F172 PolarHBondContact O-N 3.47Å; F172-F178 HydrophobicContact CD1-CD1 4.26Å; F172-F178 HydrophobicContact CD1-CE1 4.44Å; F172-F178 HydrophobicContact CD2-CD1 4.4Å; F172-F178 HydrophobicContact CD2-CE1 4.34Å; F172-F178 HydrophobicContact CE1-CD1 4.25Å; F172-F178 HydrophobicContact CE1-CE1 4.01Å; F172-F178 HydrophobicContact CE2-CD1 4.4Å; F172-F178 AromaticContact CE2-CE1 3.9Å; F172-F178 HydrophobicContact CE2-CE1 3.9Å; F172-F178 HydrophobicContact CG-CD1 4.34Å; F172-F178 HydrophobicContact CZ-CD1 4.33Å; F172-F178 AromaticContact CZ-CE1 3.72Å; F172-F178 HydrophobicContact CZ-CE1 3.72Å; F172-V179 HydrophobicContact CB-CG2 3.73Å
173Q84Confident88.6Confident158 Ų15876.1 Ų76.174%0.73839%0.385SS*.  trans-55.5127.2177.8-72.7-178.9-19.500111.1G175 S176Q173-G175 PolarHBondContact O-N 2.86Å; Q173-S176 WeakPolarHBondContact O-CB 3.25Å; Q173-S176 PolarHBondContact O-N 3.49Å; Q173-S176 PolarHBondContact O-OG 3.14Å; Q173-S176 VanDerWaalsContact O-OG 3.06Å
174P80.5Confident88.4Confident100 Ų10072.9 Ų72.965%0.64937%0.371SS*.THydrogen-bonded Turntrans-53.3134.6173.8-25.333.6000110.8S176P174-S176 VanDerWaalsContact C-N 3.34Å; P174-S176 PolarHBondContact O-N 3.36Å
175G78.1Confident88.4Confident40 Ų4074 Ų7441%0.41238%0.383SS..THydrogen-bonded Turntrans79.64179.700000116.2Q173 Y180Q173-G175 PolarHBondContact O-N 2.86Å; G175-Y180 WeakPolarHBondContact O-CE2 3.25Å
176S84.6Confident88.5Confident30 Ų3075.6 Ų75.621%0.2139%0.391CS..  trans-67.1140.917465.30000111.9Q173 P174 F178 V179 Y180Q173-S176 WeakPolarHBondContact O-CB 3.25Å; Q173-S176 PolarHBondContact O-N 3.49Å; Q173-S176 PolarHBondContact O-OG 3.14Å; Q173-S176 VanDerWaalsContact O-OG 3.06Å; P174-S176 VanDerWaalsContact C-N 3.34Å; P174-S176 PolarHBondContact O-N 3.36Å; S176-F178 PolarHBondContact O-N 2.82Å; S176-F178 VanDerWaalsContact O-N 3.09Å; S176-V179 WeakPolarHBondContact O-CB 3.19Å; S176-V179 PolarHBondContact O-N 3.43Å; S176-V179 WeakPolarHBondContact OG-CG2 3.34Å; S176-V179 PolarHBondContact OG-N 3.17Å; S176-Y180 VanDerWaalsContact O-CD2 3.32Å; S176-Y180 WeakPolarHBondContact O-CD2 3.4Å; S176-Y180 PolarHBondContact O-N 3.21Å
177S84.9Confident88.6Confident102 Ų10271.6 Ų71.671%0.71337%0.371SS*.Hα-helixtrans-57.3-27.9177.1-50.60000112.7Y180 L181S177-Y180 PolarHBondContact O-N 2.81Å; S177-L181 WeakPolarHBondContact O-CB 3.22Å; S177-L181 PolarHBondContact O-N 3.19Å
178F86.7Confident88.6Confident107 Ų10768 Ų6847%0.46936%0.358SS..Hα-helixtrans-64.6-45175.3-174.6-101.9000112.3F172 S176 Y180 L181 C182F172-F178 HydrophobicContact CD1-CD1 4.26Å; F172-F178 HydrophobicContact CD1-CE1 4.44Å; F172-F178 HydrophobicContact CD2-CD1 4.4Å; F172-F178 HydrophobicContact CD2-CE1 4.34Å; F172-F178 HydrophobicContact CE1-CD1 4.25Å; F172-F178 HydrophobicContact CE1-CE1 4.01Å; F172-F178 HydrophobicContact CE2-CD1 4.4Å; F172-F178 AromaticContact CE2-CE1 3.9Å; F172-F178 HydrophobicContact CE2-CE1 3.9Å; F172-F178 HydrophobicContact CG-CD1 4.34Å; F172-F178 HydrophobicContact CZ-CD1 4.33Å; F172-F178 AromaticContact CZ-CE1 3.72Å; F172-F178 HydrophobicContact CZ-CE1 3.72Å; S176-F178 PolarHBondContact O-N 2.82Å; S176-F178 VanDerWaalsContact O-N 3.09Å; F178-Y180 VanDerWaalsContact C-N 3.34Å; F178-Y180 PolarHBondContact O-N 3.47Å; F178-L181 PolarHBondContact O-N 3.42Å; F178-C182 WeakPolarHBondContact CZ-SG 3.46Å; F178-C182 WeakPolarHBondContact O-CB 3.32Å; F178-C182 PolarHBondContact O-N 2.88Å; F178-C182 PolarHBondContact O-SG 2.77Å; F178-C182 VanDerWaalsContact O-SG 3.38Å
179V88.9Confident88.8Confident0 Ų070.1 Ų70.10%037%0.37CS..Hα-helixtrans-56.7-49175.4164.90000110.4F168 E169 F172 S176 L181 C182 A183F168-V179 HydrophobicContact CB-CB 4.35Å; F168-V179 HydrophobicContact CB-CG1 4.07Å; F168-V179 HydrophobicContact CB-CG2 4Å; E169-V179 HydrophobicContact CG-CG1 3.78Å; F172-V179 HydrophobicContact CB-CG2 3.73Å; S176-V179 WeakPolarHBondContact O-CB 3.19Å; S176-V179 PolarHBondContact O-N 3.43Å; S176-V179 WeakPolarHBondContact OG-CG2 3.34Å; S176-V179 PolarHBondContact OG-N 3.17Å; V179-L181 PolarHBondContact O-N 3.21Å; V179-C182 PolarHBondContact O-N 3.02Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.28Å; V179-A183 PolarHBondContact O-N 3.36Å
180Y88.6Confident89Confident93 Ų9369.3 Ų69.337%0.36537%0.37SS..Hα-helixtrans-64.8-38.2179.4-64.1-63.4000112.6Y161 Q165 G175 S176 S177 F178 A184Y161-Y180 VanDerWaalsContact OH-CD1 3.26Å; Y161-Y180 WeakPolarHBondContact OH-CD1 3.35Å; Q165-Y180 HydrophobicContact CG-CD1 4.49Å; Q165-Y180 VanDerWaalsContact NE2-CD1 3.27Å; G175-Y180 WeakPolarHBondContact O-CE2 3.25Å; S176-Y180 VanDerWaalsContact O-CD2 3.32Å; S176-Y180 WeakPolarHBondContact O-CD2 3.4Å; S176-Y180 PolarHBondContact O-N 3.21Å; S177-Y180 PolarHBondContact O-N 2.81Å; F178-Y180 VanDerWaalsContact C-N 3.34Å; F178-Y180 PolarHBondContact O-N 3.47Å; Y180-A184 VanDerWaalsContact O-CB 3.24Å; Y180-A184 WeakPolarHBondContact O-CB 3.22Å; Y180-A184 PolarHBondContact O-N 2.63Å
181L88.6Confident89.2Confident102 Ų10261.6 Ų61.653%0.53434%0.337SS..Hα-helixtrans-64.4-46.5176.4-176.867.2000111.6S177 F178 V179 A184 G185 A249S177-L181 WeakPolarHBondContact O-CB 3.22Å; S177-L181 PolarHBondContact O-N 3.19Å; F178-L181 PolarHBondContact O-N 3.42Å; V179-L181 PolarHBondContact O-N 3.21Å; L181-A184 PolarHBondContact O-N 3.1Å; L181-G185 PolarHBondContact O-N 3.34Å; L181-A249 HydrophobicContact CD1-CB 4.48Å
182C91.4Very high89.4Confident30 Ų3055 Ų5520%0.20332%0.315CS..Hα-helixtrans-67.6-41.6178.4-67.80000111.8F168 F178 V179 A184 G185 I186F168-C182 HydrophobicContact CD1-CB 4.37Å; F168-C182 HydrophobicContact CD2-CB 3.62Å; F168-C182 HydrophobicContact CE1-CB 4.11Å; F168-C182 HydrophobicContact CE2-CB 3.31Å; F168-C182 HydrophobicContact CG-CB 4.16Å; F168-C182 HydrophobicContact CZ-CB 3.59Å; F178-C182 WeakPolarHBondContact CZ-SG 3.46Å; F178-C182 WeakPolarHBondContact O-CB 3.32Å; F178-C182 PolarHBondContact O-N 2.88Å; F178-C182 PolarHBondContact O-SG 2.77Å; F178-C182 VanDerWaalsContact O-SG 3.38Å; V179-C182 PolarHBondContact O-N 3.02Å; C182-A184 PolarHBondContact O-N 3.01Å; C182-G185 WeakPolarHBondContact O-CA 3.45Å; C182-G185 PolarHBondContact O-N 3.19Å; C182-I186 PolarHBondContact O-N 3.35Å
183A92Very high89.7Confident0 Ų051.7 Ų51.70%030%0.304CS..Hα-helixtrans-60.7-42.8173.600000112.1Y161 Q165 V179 G185 I186 G187Y161-A183 HydrophobicContact CD2-CB 3.91Å; Y161-A183 HydrophobicContact CE2-CB 3.97Å; Q165-A183 HydrophobicContact CB-CB 4.38Å; Q165-A183 HydrophobicContact CG-CB 3.54Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.28Å; V179-A183 PolarHBondContact O-N 3.36Å; A183-G185 VanDerWaalsContact C-N 3.32Å; A183-G185 PolarHBondContact O-N 3.33Å; A183-I186 PolarHBondContact O-N 2.86Å; A183-G187 PolarHBondContact O-N 3.46Å
184A90.1Very high90.2Very high24 Ų2449.2 Ų49.220%0.19830%0.295CS..Hα-helixtrans-63.2-37.6173.800000112.3Y161 Y180 L181 C182 S188Y161-A184 HydrophobicContact CD2-CB 4.26Å; Y161-A184 HydrophobicContact CE2-CB 4.19Å; Y180-A184 VanDerWaalsContact O-CB 3.24Å; Y180-A184 WeakPolarHBondContact O-CB 3.22Å; Y180-A184 PolarHBondContact O-N 2.63Å; L181-A184 PolarHBondContact O-N 3.1Å; C182-A184 PolarHBondContact O-N 3.01Å; A184-S188 VanDerWaalsContact O-CB 3.3Å; A184-S188 WeakPolarHBondContact O-CB 3.37Å; A184-S188 PolarHBondContact O-N 3.01Å; A184-S188 PolarHBondContact O-OG 3.24Å
185G92.8Very high90.9Very high27 Ų2744.6 Ų44.628%0.27827%0.265SS..Hα-helixtrans-60.5-51.4172.500000112.5L181 C182 A183 S188 I189L181-G185 PolarHBondContact O-N 3.34Å; C182-G185 WeakPolarHBondContact O-CA 3.45Å; C182-G185 PolarHBondContact O-N 3.19Å; A183-G185 VanDerWaalsContact C-N 3.32Å; A183-G185 PolarHBondContact O-N 3.33Å; G185-S188 PolarHBondContact O-N 2.61Å; G185-I189 WeakPolarHBondContact O-CB 3.24Å; G185-I189 VanDerWaalsContact O-CG1 3.3Å; G185-I189 WeakPolarHBondContact O-CG1 3.29Å; G185-I189 PolarHBondContact O-N 3.09Å
186I93.6Very high91.7Very high60 Ų6042.8 Ų42.831%0.30825%0.246SC..Hα-helixtrans-60.4-47.6176-67.9-176.2000110.6F168 C182 A183 S188 I189 T190F168-I186 HydrophobicContact CD2-CD1 4.41Å; F168-I186 HydrophobicContact CE2-CD1 3.35Å; F168-I186 HydrophobicContact CE2-CG1 4.13Å; F168-I186 HydrophobicContact CZ-CD1 3.75Å; C182-I186 PolarHBondContact O-N 3.35Å; A183-I186 PolarHBondContact O-N 2.86Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 3.48Å; I186-I189 PolarHBondContact O-N 2.77Å; I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.48Å; I186-T190 PolarHBondContact O-N 3.49Å; I186-T190 PolarHBondContact O-OG1 3.42Å
187G93.4Very high92.2Very high0 Ų043.1 Ų43.10%025%0.248CC..Hα-helixtrans-54.7-45.5177.100000112.1A183 A191A183-G187 PolarHBondContact O-N 3.46Å; G187-A191 WeakPolarHBondContact O-CB 3.49Å; G187-A191 PolarHBondContact O-N 3.41Å
188S93Very high92.6Very high28 Ų2840.6 Ų40.620%0.19623%0.225CC..Hα-helixtrans-67.7-43.3179.2-59.90000113.1A184 G185 I186 S192 S245A184-S188 VanDerWaalsContact O-CB 3.3Å; A184-S188 WeakPolarHBondContact O-CB 3.37Å; A184-S188 PolarHBondContact O-N 3.01Å; A184-S188 PolarHBondContact O-OG 3.24Å; G185-S188 PolarHBondContact O-N 2.61Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 3.48Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 2.96Å; S188-S192 PolarHBondContact O-OG 3.3Å; S188-S245 WeakPolarHBondContact CB-OG 3.37Å
189I94.8Very high92.9Very high81 Ų8138.7 Ų38.742%0.41522%0.215SC..Hα-helixtrans-67.5-45.3179.7-70.4168.5000110.3G185 I186 S192 S193 Y242G185-I189 WeakPolarHBondContact O-CB 3.24Å; G185-I189 VanDerWaalsContact O-CG1 3.3Å; G185-I189 WeakPolarHBondContact O-CG1 3.29Å; G185-I189 PolarHBondContact O-N 3.09Å; I186-I189 PolarHBondContact O-N 2.77Å; I189-S192 PolarHBondContact O-N 2.97Å; I189-S193 WeakPolarHBondContact O-CB 3.01Å; I189-S193 PolarHBondContact O-N 3.46Å; I189-S193 PolarHBondContact O-OG 3.1Å; I189-Y242 HydrophobicContact CB-CD1 4.39Å; I189-Y242 HydrophobicContact CB-CE1 4.28Å; I189-Y242 HydrophobicContact CG1-CD1 4.04Å; I189-Y242 HydrophobicContact CG1-CE1 4.41Å; I189-Y242 HydrophobicContact CG2-CD1 4.26Å; I189-Y242 HydrophobicContact CG2-CE1 3.78Å
190T95.5Very high93.2Very high48 Ų4838.8 Ų38.829%0.29422%0.215SC..Hα-helixtrans-63.4-49.3178.4-60.30000111.1I156 A160 I186 S192 S193 L194I156-T190 HydrophobicContact CG2-CG2 4.09Å; A160-T190 HydrophobicContact CB-CG2 3.77Å; I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.48Å; I186-T190 PolarHBondContact O-N 3.49Å; I186-T190 PolarHBondContact O-OG1 3.42Å; T190-S192 VanDerWaalsContact C-N 3.34Å; T190-S192 PolarHBondContact O-N 3.32Å; T190-S193 PolarHBondContact O-N 2.85Å; T190-L194 HydrophobicContact CG2-CD1 3.9Å; T190-L194 HydrophobicContact CG2-CG 4.48Å; T190-L194 WeakPolarHBondContact O-CG 3.26Å; T190-L194 PolarHBondContact O-N 2.95Å
191A94.1Very high93.5Very high5 Ų534.8 Ų34.84%0.04120%0.201CC..Hα-helixtrans-59.3-44.8176.300000111.7T153 I156 G187 S193 T195T153-A191 HydrophobicContact CG2-CB 4.31Å; I156-A191 HydrophobicContact CG2-CB 4.08Å; G187-A191 WeakPolarHBondContact O-CB 3.49Å; G187-A191 PolarHBondContact O-N 3.41Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 2.66Å; A191-T195 WeakPolarHBondContact O-CB 3.41Å; A191-T195 WeakPolarHBondContact O-CG2 3.25Å; A191-T195 PolarHBondContact O-N 3.43Å; A191-T195 PolarHBondContact O-OG1 3.04Å
192S93Very high93.7Very high24 Ų2430.2 Ų30.217%0.16818%0.176CC..Hα-helixtrans-63.3-38.2177.8-63.30000112.5S188 I189 T190 N196S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 2.96Å; S188-S192 PolarHBondContact O-OG 3.3Å; I189-S192 PolarHBondContact O-N 2.97Å; T190-S192 VanDerWaalsContact C-N 3.34Å; T190-S192 PolarHBondContact O-N 3.32Å; S192-N196 VanDerWaalsContact O-CB 3.28Å; S192-N196 WeakPolarHBondContact O-CB 3.43Å; S192-N196 PolarHBondContact O-N 3.2Å; S192-N196 VanDerWaalsContact O-N 3.14Å
193S95.1Very high93.8Very high27 Ų2729.2 Ų29.219%0.18917%0.169CC..Hα-helixtrans-72.5-43.6-177.9-56.20000111.9I189 T190 A191 Y235 Y242I189-S193 WeakPolarHBondContact O-CB 3.01Å; I189-S193 PolarHBondContact O-N 3.46Å; I189-S193 PolarHBondContact O-OG 3.1Å; T190-S193 PolarHBondContact O-N 2.85Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 2.66Å; S193-Y235 VanDerWaalsContact O-CE1 3.32Å; S193-Y235 WeakPolarHBondContact O-CE1 3.41Å; S193-Y242 PolarHBondContact OG-OH 2.85Å
194L95.2Very high93.9Very high106 Ų10630.4 Ų30.456%0.55517%0.174SC*.Hα-helixtrans-74.9-35.4-178.5-68.2177.7000112.5I156 T190I156-L194 HydrophobicContact CD1-CB 4.1Å; I156-L194 HydrophobicContact CD1-CD1 4.33Å; I156-L194 HydrophobicContact CG2-CD1 3.76Å; T190-L194 HydrophobicContact CG2-CD1 3.9Å; T190-L194 HydrophobicContact CG2-CG 4.48Å; T190-L194 WeakPolarHBondContact O-CG 3.26Å; T190-L194 PolarHBondContact O-N 2.95Å
195T94.9Very high94Very high3 Ų329.9 Ų29.92%0.01817%0.168CC..Hα-helixtrans-94.8-1.4-176.866.50000113.6T153 I156 A191 P197 I198 W199T153-T195 WeakPolarHBondContact OG1-CG2 3.33Å; I156-T195 HydrophobicContact CD1-CG2 3.75Å; A191-T195 WeakPolarHBondContact O-CB 3.41Å; A191-T195 WeakPolarHBondContact O-CG2 3.25Å; A191-T195 PolarHBondContact O-N 3.43Å; A191-T195 PolarHBondContact O-OG1 3.04Å; T195-P197 VanDerWaalsContact C-N 3.31Å; T195-I198 WeakPolarHBondContact O-CB 3.46Å; T195-I198 PolarHBondContact O-N 3.42Å; T195-W199 PolarHBondContact O-N 3.38Å; T195-W199 VanDerWaalsContact OG1-CD1 3.29Å; T195-W199 PolarHBondContact OG1-NE1 2.95Å; T195-W199 VanDerWaalsContact OG1-NE1 3.1Å
196N94.4Very high93.9Very high1 Ų128.6 Ų28.61%0.00516%0.155CC..Hα-helixtrans-53.5-39.6-178-157.365.2000113.7S192 I198 W199 F200 F234 Y235 V238 R345S192-N196 VanDerWaalsContact O-CB 3.28Å; S192-N196 WeakPolarHBondContact O-CB 3.43Å; S192-N196 PolarHBondContact O-N 3.2Å; S192-N196 VanDerWaalsContact O-N 3.14Å; N196-I198 VanDerWaalsContact C-N 3.31Å; N196-I198 PolarHBondContact O-N 2.88Å; N196-W199 PolarHBondContact O-N 2.92Å; N196-F200 VanDerWaalsContact O-CB 3.26Å; N196-F200 WeakPolarHBondContact O-CB 3.33Å; N196-F200 PolarHBondContact O-N 3.29Å; N196-F234 PolarHBondContact ND2-O 3.44Å; N196-Y235 VanDerWaalsContact ND2-CA 3.35Å; N196-Y235 WeakPolarHBondContact ND2-CA 3.15Å; N196-V238 HydrophobicContact CB-CG2 4.35Å; N196-R345 PolarHBondContact OD1-NH2 2.71Å
197P95Very high93.8Very high38 Ų3826.8 Ų26.825%0.24715%0.146CC..Hα-helixtrans-58.5-39.6177.2-26.335.8000113.5T195 F200 V201 F234T195-P197 VanDerWaalsContact C-N 3.31Å; P197-F200 PolarHBondContact O-N 3.38Å; P197-V201 WeakPolarHBondContact O-CG2 3.49Å; P197-V201 PolarHBondContact O-N 3.4Å; P197-F234 HydrophobicContact CB-CB 4.15Å; P197-F234 HydrophobicContact CB-CD1 4.13Å; P197-F234 HydrophobicContact CB-CG 4.42Å; P197-F234 HydrophobicContact CG-CB 4.16Å
198I94.2Very high93.5Very high48 Ų4827.4 Ų27.425%0.24615%0.149CC..Hα-helixtrans-65.4-48.5178.6-61.4168000109.7P145 T195 N196 F200 V201 K202P145-I198 HydrophobicContact CB-CG2 4.24Å; P145-I198 WeakPolarHBondContact O-CG2 3.32Å; T195-I198 WeakPolarHBondContact O-CB 3.46Å; T195-I198 PolarHBondContact O-N 3.42Å; N196-I198 VanDerWaalsContact C-N 3.31Å; N196-I198 PolarHBondContact O-N 2.88Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 2.92Å; I198-V201 PolarHBondContact O-N 2.79Å; I198-K202 PolarHBondContact O-N 2.64Å
199W92.4Very high92.9Very high67 Ų6728.1 Ų28.125%0.25415%0.154SC..Hα-helixtrans-66.6-33.4178.4-64.2113.6000112.7T195 N196 K202 T203 R345T195-W199 PolarHBondContact O-N 3.38Å; T195-W199 VanDerWaalsContact OG1-CD1 3.29Å; T195-W199 PolarHBondContact OG1-NE1 2.95Å; T195-W199 VanDerWaalsContact OG1-NE1 3.1Å; N196-W199 PolarHBondContact O-N 2.92Å; W199-K202 HydrophobicContact CE3-CD 3.77Å; W199-K202 HydrophobicContact CZ3-CD 3.81Å; W199-T203 PolarHBondContact O-N 3.2Å; W199-T203 PolarHBondContact O-OG1 2.84Å; W199-R345 PolarHBondContact O-NH1 3.49Å
200F94.8Very high91.9Very high2 Ų228.7 Ų28.71%0.00915%0.151CC..Hα-helixtrans-61.7-54.4173.3176.3-90.7000110.2N196 P197 I198 K202 T203 R204 T225 G233 F234 R236 R345N196-F200 VanDerWaalsContact O-CB 3.26Å; N196-F200 WeakPolarHBondContact O-CB 3.33Å; N196-F200 PolarHBondContact O-N 3.29Å; P197-F200 PolarHBondContact O-N 3.38Å; I198-F200 VanDerWaalsContact C-N 3.32Å; I198-F200 PolarHBondContact O-N 2.92Å; F200-K202 VanDerWaalsContact C-N 3.32Å; F200-K202 PolarHBondContact O-N 3.05Å; F200-T203 PolarHBondContact O-N 2.94Å; F200-T203 VanDerWaalsContact O-N 3.15Å; F200-R204 HydrophobicContact CD1-CG 4Å; F200-R204 HydrophobicContact CE1-CG 3.6Å; F200-R204 HydrophobicContact CE2-CG 4.37Å; F200-R204 HydrophobicContact CZ-CG 3.8Å; F200-R204 WeakPolarHBondContact O-CG 3.42Å; F200-R204 PolarHBondContact O-N 3.05Å; F200-T225 HydrophobicContact CE1-CG2 3.7Å; F200-T225 HydrophobicContact CZ-CG2 3.97Å; F200-G233 VanDerWaalsContact CE2-O 3.28Å; F200-G233 WeakPolarHBondContact CE2-O 3.48Å; F200-F234 HydrophobicContact CD1-CD1 4.01Å; F200-F234 HydrophobicContact CE1-CD1 4.48Å; F200-R236 HydrophobicContact CD2-CB 4.49Å; F200-R236 HydrophobicContact CE2-CB 4.19Å; F200-R345 HydrophobicContact CD2-CB 4.31Å; F200-R345 HydrophobicContact CD2-CG 3.92Å; F200-R345 HydrophobicContact CE2-CB 4.4Å; F200-R345 HydrophobicContact CE2-CG 4.4Å
201V94.9Very high90.6Very high9 Ų930.7 Ų30.76%0.05517%0.165CC..Hα-helixtrans-59.7-42.4179.5173.40000111.3P145 P197 I198 T203 R204 L205 V218 V221 I222 F234P145-V201 HydrophobicContact CG-CG1 4.18Å; P197-V201 WeakPolarHBondContact O-CG2 3.49Å; P197-V201 PolarHBondContact O-N 3.4Å; I198-V201 PolarHBondContact O-N 2.79Å; V201-T203 PolarHBondContact O-N 3.43Å; V201-R204 PolarHBondContact O-N 3.2Å; V201-L205 HydrophobicContact CG1-CD1 3.99Å; V201-L205 HydrophobicContact CG1-CG 4.42Å; V201-L205 VanDerWaalsContact O-CG 3.31Å; V201-L205 WeakPolarHBondContact O-CG 3.38Å; V201-L205 PolarHBondContact O-N 3Å; V201-V218 HydrophobicContact CG1-CB 4.47Å; V201-V218 HydrophobicContact CG1-CG1 4.1Å; V201-V218 HydrophobicContact CG1-CG2 4.33Å; V201-V221 HydrophobicContact CB-CG1 4.49Å; V201-V221 HydrophobicContact CG1-CB 4.37Å; V201-V221 HydrophobicContact CG1-CG1 4.31Å; V201-V221 HydrophobicContact CG2-CG1 4.15Å; V201-I222 HydrophobicContact CG2-CG1 3.96Å; V201-F234 HydrophobicContact CG2-CE1 4.32Å
202K93.7Very high89.2Confident6 Ų634.6 Ų34.63%0.02621%0.205CC..Hα-helixtrans-51.8-56.2172.6179.5-172.6175.7163.10111.3E27 P145 T146 I198 W199 F200 R204 L205 Q206E27-K202 VanDerWaalsContact OE1-CE 3.28Å; E27-K202 WeakPolarHBondContact OE1-CE 3.46Å; E27-K202 IonicContact OE1-NZ 3.52Å; E27-K202 PolarHBondContact OE1-NZ 3.49Å; E27-K202 WeakPolarHBondContact OE2-CE 3.38Å; E27-K202 IonicContact OE2-NZ 2.71Å; E27-K202 PolarHBondContact OE2-NZ 3.45Å; P145-K202 HydrophobicContact CB-CB 4Å; T146-K202 WeakPolarHBondContact OG1-CD 3.48Å; T146-K202 WeakPolarHBondContact OG1-CE 3.33Å; T146-K202 PolarHBondContact OG1-NZ 2.84Å; I198-K202 PolarHBondContact O-N 2.64Å; W199-K202 HydrophobicContact CE3-CD 3.77Å; W199-K202 HydrophobicContact CZ3-CD 3.81Å; F200-K202 VanDerWaalsContact C-N 3.32Å; F200-K202 PolarHBondContact O-N 3.05Å; K202-R204 VanDerWaalsContact C-N 3.32Å; K202-R204 PolarHBondContact O-N 2.94Å; K202-L205 PolarHBondContact O-N 2.69Å; K202-Q206 WeakPolarHBondContact O-CG 3.32Å; K202-Q206 PolarHBondContact O-N 3.45Å
203T93.6Very high88.2Confident9 Ų939.4 Ų39.46%0.05523%0.225CC..Hα-helixtrans-62.6-39.2-176.6-55.70000111.3V31 W199 F200 V201 L205 Q206 L207 R345V31-T203 HydrophobicContact CG1-CG2 4.13Å; W199-T203 PolarHBondContact O-N 3.2Å; W199-T203 PolarHBondContact O-OG1 2.84Å; F200-T203 PolarHBondContact O-N 2.94Å; F200-T203 VanDerWaalsContact O-N 3.15Å; V201-T203 PolarHBondContact O-N 3.43Å; T203-L205 PolarHBondContact O-N 3.24Å; T203-Q206 PolarHBondContact O-N 2.92Å; T203-L207 HydrophobicContact CG2-CD1 3.76Å; T203-L207 HydrophobicContact CG2-CG 4.2Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 WeakPolarHBondContact O-CG 3.34Å; T203-L207 PolarHBondContact O-N 3.47Å; T203-R345 HydrophobicContact CG2-CB 3.86Å; T203-R345 PolarHBondContact OG1-NH1 3.35Å
204R93Very high87.1Confident25 Ų2543.3 Ų43.39%0.09425%0.247CC..Hα-helixtrans-59.3-43.9175.5-67.6-62.2-69.4-143-10.4112.9F200 V201 K202 L207 D208 V221 R345 E346 E347F200-R204 HydrophobicContact CD1-CG 4Å; F200-R204 HydrophobicContact CE1-CG 3.6Å; F200-R204 HydrophobicContact CE2-CG 4.37Å; F200-R204 HydrophobicContact CZ-CG 3.8Å; F200-R204 WeakPolarHBondContact O-CG 3.42Å; F200-R204 PolarHBondContact O-N 3.05Å; V201-R204 PolarHBondContact O-N 3.2Å; K202-R204 VanDerWaalsContact C-N 3.32Å; K202-R204 PolarHBondContact O-N 2.94Å; R204-L207 PolarHBondContact O-N 3.4Å; R204-D208 PolarHBondContact O-N 3.02Å; R204-D208 VanDerWaalsContact O-N 3.16Å; R204-V221 HydrophobicContact CB-CG1 3.69Å; R204-V221 HydrophobicContact CB-CG2 4.29Å; R204-V221 HydrophobicContact CG-CG1 3.84Å; R204-R345 WeakPolarHBondContact CD-O 3.17Å; R204-R345 PolarHBondContact NH1-O 2.56Å; R204-E346 PolarHBondContact NH1-O 2.97Å; R204-E347 VanDerWaalsContact NH2-CD 3.28Å; R204-E347 IonicContact NH2-OE1 3.06Å; R204-E347 IonicContact NH2-OE2 3.83Å
205L92.8Very high86.2Confident13 Ų1342.1 Ų42.17%0.06825%0.246CC..Hα-helixtrans-66.4-39.2178.2-67.3170.3000111.4P145 V201 K202 T203 L207 D208 I216 V218 V221P145-L205 HydrophobicContact CG-CD1 3.86Å; V201-L205 HydrophobicContact CG1-CD1 3.99Å; V201-L205 HydrophobicContact CG1-CG 4.42Å; V201-L205 VanDerWaalsContact O-CG 3.31Å; V201-L205 WeakPolarHBondContact O-CG 3.38Å; V201-L205 PolarHBondContact O-N 3Å; K202-L205 PolarHBondContact O-N 2.69Å; T203-L205 PolarHBondContact O-N 3.24Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-D208 PolarHBondContact O-N 3.37Å; L205-I216 HydrophobicContact CD2-CB 4.34Å; L205-I216 WeakPolarHBondContact CD2-O 3.44Å; L205-V218 HydrophobicContact CD1-CG2 3.68Å; L205-V221 HydrophobicContact CD2-CG2 3.66Å; L205-V221 HydrophobicContact CG-CG2 4.13Å
206Q91.6Very high85.7Confident1 Ų143.3 Ų43.31%0.00525%0.252CS..Hα-helixtrans-69-33178.2-71179.9-36.300112.8V28 V31 R32 K141 K202 T203 D208V28-Q206 HydrophobicContact CG2-CG 4.21Å; V31-Q206 HydrophobicContact CB-CB 4.23Å; V31-Q206 HydrophobicContact CG1-CB 3.85Å; R32-Q206 WeakPolarHBondContact CG-O 3.35Å; R32-Q206 PolarHBondContact NE-O 3.28Å; K141-Q206 WeakPolarHBondContact O-CG 3.22Å; K202-Q206 WeakPolarHBondContact O-CG 3.32Å; K202-Q206 PolarHBondContact O-N 3.45Å; T203-Q206 PolarHBondContact O-N 2.92Å; Q206-D208 VanDerWaalsContact C-N 3.34Å
207L90.5Very high85.4Confident22 Ų2247.1 Ų47.112%0.11528%0.275CS..Hα-helixtrans-76.9-15.7175.6-71171.4000113.9V31 S35 T203 R204 L205 S209 T342 E346V31-L207 HydrophobicContact CG1-CD2 3.72Å; V31-L207 HydrophobicContact CG1-CG 3.8Å; S35-L207 VanDerWaalsContact CB-CD2 3.4Å; T203-L207 HydrophobicContact CG2-CD1 3.76Å; T203-L207 HydrophobicContact CG2-CG 4.2Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 WeakPolarHBondContact O-CG 3.34Å; T203-L207 PolarHBondContact O-N 3.47Å; R204-L207 PolarHBondContact O-N 3.4Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3.38Å; L207-S209 VanDerWaalsContact O-N 3.11Å; L207-S209 PolarHBondContact O-OG 3.2Å; L207-T342 HydrophobicContact CD1-CG2 4.37Å; L207-T342 HydrophobicContact CD2-CG2 3.86Å; L207-E346 HydrophobicContact CD1-CG 3.8Å; L207-E346 HydrophobicContact CD2-CG 4.5Å
208D87.7Confident85.3Confident13 Ų1347.7 Ų47.77%0.0728%0.278CS..  trans-70.8105.7178.3178.939.8000110.7R32 K141 R204 L205 Q206 R210 I216R32-D208 PolarHBondContact NH2-O 3.03Å; K141-D208 PolarHBondContact NZ-O 2.94Å; K141-D208 IonicContact NZ-OD2 2.7Å; R204-D208 PolarHBondContact O-N 3.02Å; R204-D208 VanDerWaalsContact O-N 3.16Å; L205-D208 PolarHBondContact O-N 3.37Å; Q206-D208 VanDerWaalsContact C-N 3.34Å; D208-R210 WeakPolarHBondContact OD1-CG 3.39Å; D208-R210 IonicContact OD1-CZ 2.94Å; D208-R210 IonicContact OD1-NE 2.7Å; D208-R210 PolarHBondContact OD1-NE 2.9Å; D208-R210 IonicContact OD1-NH2 3.36Å; D208-R210 IonicContact OD2-NE 2.81Å; D208-R210 IonicContact OD2-NH2 3.45Å; D208-R210 PolarHBondContact OD2-NH2 2.71Å; D208-I216 HydrophobicContact CB-CD1 4.11Å; D208-I216 HydrophobicContact CB-CG1 4.39Å; D208-I216 WeakPolarHBondContact OD2-CG1 3.35Å; D208-I216 PolarHBondContact OD2-N 2.95Å
209S80.1Confident85.2Confident43 Ų4349.2 Ų49.230%0.30129%0.293SS..  trans-122.142.8-179.6-47.90000112.2R32 E134 L207 P211R32-S209 PolarHBondContact NE-OG 3.08Å; R32-S209 PolarHBondContact NH1-OG 2.88Å; R32-S209 PolarHBondContact NH2-OG 3.21Å; E134-S209 VanDerWaalsContact OE1-CA 3.23Å; E134-S209 WeakPolarHBondContact OE1-CA 3.24Å; E134-S209 WeakPolarHBondContact OE1-CB 3.31Å; L207-S209 PolarHBondContact O-N 3.38Å; L207-S209 VanDerWaalsContact O-N 3.11Å; L207-S209 PolarHBondContact O-OG 3.2Å; S209-P211 WeakPolarHBondContact O-CD 3.45Å
210R73.6Confident85.2Confident92 Ų9250 Ų5035%0.34730%0.3SS..  trans-81.1110.4-179.4-68.7174.7-62.6144.932.4110.4D208 H213 T214D208-R210 WeakPolarHBondContact OD1-CG 3.39Å; D208-R210 IonicContact OD1-CZ 2.94Å; D208-R210 IonicContact OD1-NE 2.7Å; D208-R210 PolarHBondContact OD1-NE 2.9Å; D208-R210 IonicContact OD1-NH2 3.36Å; D208-R210 IonicContact OD2-NE 2.81Å; D208-R210 IonicContact OD2-NH2 3.45Å; D208-R210 PolarHBondContact OD2-NH2 2.71Å; R210-H213 HydrophobicContact CB-CB 4Å; R210-T214 PolarHBondContact NH2-O 3.41Å
211P67.2Low85.1Confident91 Ų9150.2 Ų50.259%0.59130%0.301SS*.THydrogen-bonded Turntrans-66.9140.2175.327.8-33.2000110.3S209 H213S209-P211 WeakPolarHBondContact O-CD 3.45Å; P211-H213 PolarHBondContact O-N 2.95Å; P211-H213 VanDerWaalsContact O-N 3.1Å; P211-H213 PolarHBondContact O-ND1 3.44Å
212G65.9Low85.1Confident86 Ų8653.3 Ų53.389%0.88732%0.316SS*.THydrogen-bonded Turntrans67.85.217400000116.6
213H71.5Confident85.1Confident126 Ų12660.4 Ų60.458%0.58334%0.343SS*.SBendtrans-105.7151.6176.5-69.968.8000110.9R210 P211R210-H213 HydrophobicContact CB-CB 4Å; P211-H213 PolarHBondContact O-N 2.95Å; P211-H213 VanDerWaalsContact O-N 3.1Å; P211-H213 PolarHBondContact O-ND1 3.44Å
214T72.9Confident85Confident108 Ų10863.1 Ų63.166%0.66336%0.357SS*.PPolyproline II helixtrans-58133.417255.40000110R210 I216R210-T214 PolarHBondContact NH2-O 3.41Å; T214-I216 PolarHBondContact O-N 2.85Å
215P75.3Confident85Confident81 Ų8162 Ų6253%0.52635%0.354SS..PPolyproline II helixtrans-57.3138.8-179.324.5-33.6000110.3T217P215-T217 PolarHBondContact O-N 3.43Å
216I84.3Confident85.1Confident28 Ų2868.5 Ų68.514%0.14438%0.377CS..PPolyproline II helixtrans-62130.3177.1-52.5176.8000108L205 D208 T214 Q220 V221L205-I216 HydrophobicContact CD2-CB 4.34Å; L205-I216 WeakPolarHBondContact CD2-O 3.44Å; D208-I216 HydrophobicContact CB-CD1 4.11Å; D208-I216 HydrophobicContact CB-CG1 4.39Å; D208-I216 WeakPolarHBondContact OD2-CG1 3.35Å; D208-I216 PolarHBondContact OD2-N 2.95Å; T214-I216 PolarHBondContact O-N 2.85Å; I216-Q220 HydrophobicContact CG2-CB 3.63Å; I216-V221 HydrophobicContact CB-CG2 4.3Å; I216-V221 HydrophobicContact CG2-CG2 3.48Å; I216-V221 VanDerWaalsContact CG2-CG2 3.48Å
217T89.1Confident85.2Confident81 Ų8175.4 Ų75.450%0.49741%0.407SS..PPolyproline II helixtrans-84152.9174-54.90000110.3P215 S219 Q220 V221P215-T217 PolarHBondContact O-N 3.43Å; T217-S219 PolarHBondContact O-N 2.89Å; T217-Q220 WeakPolarHBondContact O-CA 3.34Å; T217-Q220 WeakPolarHBondContact O-CB 3.48Å; T217-Q220 PolarHBondContact O-N 2.88Å; T217-V221 PolarHBondContact O-N 3.19Å
218V91.8Very high85.1Confident50 Ų5079.8 Ų79.830%0.30343%0.427SS..Hα-helixtrans-44.4-48.5172.7168.30000111.9P145 V201 L205 Q220 V221 I222P145-V218 HydrophobicContact CG-CG2 3.96Å; V201-V218 HydrophobicContact CG1-CB 4.47Å; V201-V218 HydrophobicContact CG1-CG1 4.1Å; V201-V218 HydrophobicContact CG1-CG2 4.33Å; L205-V218 HydrophobicContact CD1-CG2 3.68Å; V218-Q220 VanDerWaalsContact C-N 3.34Å; V218-Q220 PolarHBondContact O-N 3.25Å; V218-V221 PolarHBondContact O-N 3.24Å; V218-I222 HydrophobicContact CG1-CD1 3.78Å; V218-I222 WeakPolarHBondContact O-CG1 3.19Å; V218-I222 PolarHBondContact O-N 3.24Å
219S92Very high85.1Confident81 Ų8181.7 Ų81.757%0.56644%0.437SS*.Hα-helixtrans-60.8-38.4178.4177.60000113.3T217 I222 R223T217-S219 PolarHBondContact O-N 2.89Å; S219-I222 PolarHBondContact O-N 3.25Å; S219-R223 VanDerWaalsContact O-CB 3.3Å; S219-R223 WeakPolarHBondContact O-CB 3.33Å; S219-R223 PolarHBondContact O-N 3.22Å
220Q92.5Very high85.7Confident83 Ų8380.8 Ų80.839%0.38843%0.434SS..Hα-helixtrans-68.6-40.8176.7-69.3172.7-19.300111.6I216 T217 V218 I222 R223 N224I216-Q220 HydrophobicContact CG2-CB 3.63Å; T217-Q220 WeakPolarHBondContact O-CA 3.34Å; T217-Q220 WeakPolarHBondContact O-CB 3.48Å; T217-Q220 PolarHBondContact O-N 2.88Å; V218-Q220 VanDerWaalsContact C-N 3.34Å; V218-Q220 PolarHBondContact O-N 3.25Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-I222 PolarHBondContact O-N 2.92Å; Q220-R223 PolarHBondContact O-N 3.46Å; Q220-N224 VanDerWaalsContact O-CB 3.24Å; Q220-N224 WeakPolarHBondContact O-CB 3.47Å; Q220-N224 PolarHBondContact O-N 2.68Å; Q220-N224 PolarHBondContact O-OD1 3.46Å
221V92.8Very high86.6Confident6 Ų681.7 Ų81.74%0.03645%0.446CS..Hα-helixtrans-59.1-47.4173.8178.30000110.2V201 R204 L205 I216 T217 V218 T225V201-V221 HydrophobicContact CB-CG1 4.49Å; V201-V221 HydrophobicContact CG1-CB 4.37Å; V201-V221 HydrophobicContact CG1-CG1 4.31Å; V201-V221 HydrophobicContact CG2-CG1 4.15Å; R204-V221 HydrophobicContact CB-CG1 3.69Å; R204-V221 HydrophobicContact CB-CG2 4.29Å; R204-V221 HydrophobicContact CG-CG1 3.84Å; L205-V221 HydrophobicContact CD2-CG2 3.66Å; L205-V221 HydrophobicContact CG-CG2 4.13Å; I216-V221 HydrophobicContact CB-CG2 4.3Å; I216-V221 HydrophobicContact CG2-CG2 3.48Å; I216-V221 VanDerWaalsContact CG2-CG2 3.48Å; T217-V221 PolarHBondContact O-N 3.19Å; V218-V221 PolarHBondContact O-N 3.24Å; V221-T225 VanDerWaalsContact O-CB 3.26Å; V221-T225 WeakPolarHBondContact O-CB 3.23Å; V221-T225 PolarHBondContact O-N 3Å; V221-T225 PolarHBondContact O-OG1 3.24Å
222I94.4Very high87.7Confident74 Ų7487.4 Ų87.438%0.37946%0.455SS..Hα-helixtrans-61.6-50.5179.9-66.6167.4000110.3V201 V218 S219 Q220 N224 T225 W226 F234V201-I222 HydrophobicContact CG2-CG1 3.96Å; V218-I222 HydrophobicContact CG1-CD1 3.78Å; V218-I222 WeakPolarHBondContact O-CG1 3.19Å; V218-I222 PolarHBondContact O-N 3.24Å; S219-I222 PolarHBondContact O-N 3.25Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-I222 PolarHBondContact O-N 2.92Å; I222-N224 PolarHBondContact O-N 3.3Å; I222-T225 PolarHBondContact O-N 3.17Å; I222-W226 VanDerWaalsContact O-CB 3.31Å; I222-W226 WeakPolarHBondContact O-CB 3.38Å; I222-W226 PolarHBondContact O-N 3.35Å; I222-F234 HydrophobicContact CB-CZ 4.42Å; I222-F234 HydrophobicContact CG1-CE1 4.3Å; I222-F234 HydrophobicContact CG2-CE1 4.49Å; I222-F234 HydrophobicContact CG2-CZ 4.05Å
223R94.6Very high88.8Confident155 Ų15583.3 Ų83.359%0.58541%0.413SS*.Hα-helixtrans-62.3-44.5-179-171.1179.7-172.1-168.91112.3S219 Q220 K227S219-R223 VanDerWaalsContact O-CB 3.3Å; S219-R223 WeakPolarHBondContact O-CB 3.33Å; S219-R223 PolarHBondContact O-N 3.22Å; Q220-R223 PolarHBondContact O-N 3.46Å; R223-K227 HydrophobicContact CG-CD 4.5Å; R223-K227 WeakPolarHBondContact O-CB 3.37Å; R223-K227 WeakPolarHBondContact O-CG 3.28Å; R223-K227 PolarHBondContact O-N 3.04Å
224N92.1Very high89.8Confident67 Ų6778 Ų7836%0.35839%0.389SS..Hα-helixtrans-67.8-42.5-179.8-69.2-3.5000111.1Q220 I222 K227 Q228Q220-N224 VanDerWaalsContact O-CB 3.24Å; Q220-N224 WeakPolarHBondContact O-CB 3.47Å; Q220-N224 PolarHBondContact O-N 2.68Å; Q220-N224 PolarHBondContact O-OD1 3.46Å; I222-N224 PolarHBondContact O-N 3.3Å; N224-K227 PolarHBondContact O-N 2.76Å; N224-Q228 WeakPolarHBondContact O-CB 3.35Å; N224-Q228 VanDerWaalsContact O-CG 3.29Å; N224-Q228 WeakPolarHBondContact O-CG 3.45Å; N224-Q228 PolarHBondContact O-N 3.04Å
225T92.6Very high90.8Very high2 Ų277.7 Ų77.71%0.01238%0.376CS..Hα-helixtrans-65-44.6178-53.70000111.1F200 V221 I222 K227 Q228 D229 G230 F234F200-T225 HydrophobicContact CE1-CG2 3.7Å; F200-T225 HydrophobicContact CZ-CG2 3.97Å; V221-T225 VanDerWaalsContact O-CB 3.26Å; V221-T225 WeakPolarHBondContact O-CB 3.23Å; V221-T225 PolarHBondContact O-N 3Å; V221-T225 PolarHBondContact O-OG1 3.24Å; I222-T225 PolarHBondContact O-N 3.17Å; T225-K227 VanDerWaalsContact C-N 3.33Å; T225-K227 PolarHBondContact O-N 3.28Å; T225-Q228 PolarHBondContact O-N 3.15Å; T225-D229 PolarHBondContact O-N 2.93Å; T225-G230 PolarHBondContact O-N 3.04Å; T225-F234 HydrophobicContact CG2-CD1 4.38Å; T225-F234 HydrophobicContact CG2-CD2 4.14Å; T225-F234 HydrophobicContact CG2-CE1 4.2Å; T225-F234 HydrophobicContact CG2-CE2 3.94Å; T225-F234 HydrophobicContact CG2-CG 4.36Å; T225-F234 HydrophobicContact CG2-CZ 3.97Å
226W93.8Very high91.5Very high149 Ų14976.7 Ų76.756%0.56436%0.362SS*.Hα-helixtrans-59.8-43.3176.5-174.5-89.2000112I222 G230 L231 F234I222-W226 VanDerWaalsContact O-CB 3.31Å; I222-W226 WeakPolarHBondContact O-CB 3.38Å; I222-W226 PolarHBondContact O-N 3.35Å; W226-G230 VanDerWaalsContact O-CA 3.28Å; W226-G230 WeakPolarHBondContact O-CA 3.26Å; W226-G230 PolarHBondContact O-N 2.86Å; W226-G230 VanDerWaalsContact O-N 3.14Å; W226-L231 HydrophobicContact CE3-CD2 4.42Å; W226-L231 HydrophobicContact CH2-CD1 4.35Å; W226-L231 HydrophobicContact CH2-CD2 4.12Å; W226-L231 HydrophobicContact CH2-CG 3.87Å; W226-L231 HydrophobicContact CZ3-CD1 4.47Å; W226-L231 HydrophobicContact CZ3-CD2 3.47Å; W226-L231 VanDerWaalsContact CZ3-CD2 3.47Å; W226-L231 HydrophobicContact CZ3-CG 3.57Å; W226-F234 HydrophobicContact CE3-CE2 4.12Å
227K93.5Very high91.8Very high146 Ų14675.5 Ų75.564%0.63536%0.357SS*.Hα-helixtrans-68.3-36.6177.9-76.5-176.3174.1-167.30113.8R223 N224 T225R223-K227 HydrophobicContact CG-CD 4.5Å; R223-K227 WeakPolarHBondContact O-CB 3.37Å; R223-K227 WeakPolarHBondContact O-CG 3.28Å; R223-K227 PolarHBondContact O-N 3.04Å; N224-K227 PolarHBondContact O-N 2.76Å; T225-K227 VanDerWaalsContact C-N 3.33Å; T225-K227 PolarHBondContact O-N 3.28Å
228Q89.8Confident92Very high114 Ų11472.8 Ų72.853%0.53334%0.34SS..Hα-helixtrans-86.1-45.4-174.8-71.3174.31.100113.2N224 T225N224-Q228 WeakPolarHBondContact O-CB 3.35Å; N224-Q228 VanDerWaalsContact O-CG 3.29Å; N224-Q228 WeakPolarHBondContact O-CG 3.45Å; N224-Q228 PolarHBondContact O-N 3.04Å; T225-Q228 PolarHBondContact O-N 3.15Å
229D88.4Confident92.1Very high52 Ų5272.4 Ų72.428%0.27834%0.34SS..Hα-helixtrans-125.4-5.3-168-69.3-45.1000113.3T225 G233 R236T225-D229 PolarHBondContact O-N 2.93Å; D229-G233 VanDerWaalsContact CB-CA 3.49Å; D229-G233 PolarHBondContact O-N 3.37Å; D229-R236 IonicContact OD1-CZ 2.64Å; D229-R236 IonicContact OD1-NH1 3.29Å; D229-R236 IonicContact OD1-NH2 3.56Å; D229-R236 PolarHBondContact OD1-NH2 3.47Å; D229-R236 IonicContact OD2-CZ 3.04Å; D229-R236 IonicContact OD2-NE 3.92Å; D229-R236 IonicContact OD2-NH1 2.98Å; D229-R236 PolarHBondContact OD2-NH1 3.3Å; D229-R236 IonicContact OD2-NH2 2.8Å; D229-R236 PolarHBondContact OD2-NH2 2.83Å; D229-R236 VanDerWaalsContact OD2-NH2 3.08Å
230G91.9Very high92.1Very high24 Ų2468.6 Ų68.625%0.24731%0.313CS..Hα-helixtrans59.9-151.3-173.100000113.1T225 W226 R232 G233T225-G230 PolarHBondContact O-N 3.04Å; W226-G230 VanDerWaalsContact O-CA 3.28Å; W226-G230 WeakPolarHBondContact O-CA 3.26Å; W226-G230 PolarHBondContact O-N 2.86Å; W226-G230 VanDerWaalsContact O-N 3.14Å; G230-R232 PolarHBondContact O-N 3.41Å; G230-G233 PolarHBondContact O-N 2.97Å
231L91.4Very high92.1Very high111 Ų11165.1 Ų65.158%0.58130%0.298SS*.Hα-helixtrans-58.9-34.5177.1-78.6169000112.7W226 G233 F234 Y235W226-L231 HydrophobicContact CE3-CD2 4.42Å; W226-L231 HydrophobicContact CH2-CD1 4.35Å; W226-L231 HydrophobicContact CH2-CD2 4.12Å; W226-L231 HydrophobicContact CH2-CG 3.87Å; W226-L231 HydrophobicContact CZ3-CD1 4.47Å; W226-L231 HydrophobicContact CZ3-CD2 3.47Å; W226-L231 VanDerWaalsContact CZ3-CD2 3.47Å; W226-L231 HydrophobicContact CZ3-CG 3.57Å; L231-G233 PolarHBondContact O-N 2.81Å; L231-F234 PolarHBondContact O-N 3.11Å; L231-Y235 WeakPolarHBondContact O-CD2 3.41Å
232R90.3Very high92.1Very high211 Ų21168.6 Ų68.680%0.79631%0.311SS*.Hα-helixtrans-62.7-28.9-178.5-172.6176.5176.1174.30.9112.6G230 F234 Y235G230-R232 PolarHBondContact O-N 3.41Å; R232-F234 VanDerWaalsContact C-N 3.34Å; R232-F234 PolarHBondContact O-N 2.86Å; R232-Y235 PolarHBondContact O-N 2.85Å
233G90.2Very high92.1Very high0 Ų068.6 Ų68.60%031%0.308CS..Hα-helixtrans-58.2-44175.700000112.7F200 D229 G230 L231 Y235 R236F200-G233 VanDerWaalsContact CE2-O 3.28Å; F200-G233 WeakPolarHBondContact CE2-O 3.48Å; D229-G233 VanDerWaalsContact CB-CA 3.49Å; D229-G233 PolarHBondContact O-N 3.37Å; G230-G233 PolarHBondContact O-N 2.97Å; L231-G233 PolarHBondContact O-N 2.81Å; G233-Y235 PolarHBondContact O-N 3.02Å; G233-R236 WeakPolarHBondContact O-CB 3.46Å; G233-R236 WeakPolarHBondContact O-CG 3.33Å; G233-R236 PolarHBondContact O-N 3.09Å; G233-R236 VanDerWaalsContact O-N 3.17Å
234F92.9Very high91.8Very high16 Ų1661.9 Ų61.97%0.0729%0.287CS..Hα-helixtrans-68.5-17.2-179.2-64.2-82.4000114N196 P197 F200 V201 I222 T225 W226 L231 R232N196-F234 PolarHBondContact ND2-O 3.44Å; P197-F234 HydrophobicContact CB-CB 4.15Å; P197-F234 HydrophobicContact CB-CD1 4.13Å; P197-F234 HydrophobicContact CB-CG 4.42Å; P197-F234 HydrophobicContact CG-CB 4.16Å; F200-F234 HydrophobicContact CD1-CD1 4.01Å; F200-F234 HydrophobicContact CE1-CD1 4.48Å; V201-F234 HydrophobicContact CG2-CE1 4.32Å; I222-F234 HydrophobicContact CB-CZ 4.42Å; I222-F234 HydrophobicContact CG1-CE1 4.3Å; I222-F234 HydrophobicContact CG2-CE1 4.49Å; I222-F234 HydrophobicContact CG2-CZ 4.05Å; T225-F234 HydrophobicContact CG2-CD1 4.38Å; T225-F234 HydrophobicContact CG2-CD2 4.14Å; T225-F234 HydrophobicContact CG2-CE1 4.2Å; T225-F234 HydrophobicContact CG2-CE2 3.94Å; T225-F234 HydrophobicContact CG2-CG 4.36Å; T225-F234 HydrophobicContact CG2-CZ 3.97Å; W226-F234 HydrophobicContact CE3-CE2 4.12Å; L231-F234 PolarHBondContact O-N 3.11Å; R232-F234 VanDerWaalsContact C-N 3.34Å; R232-F234 PolarHBondContact O-N 2.86Å
235Y93.2Very high91.6Very high101 Ų10160 Ų6040%0.39628%0.279SS..THydrogen-bonded Turntrans-95.73177.6-75-91.7000113.3S193 N196 L231 R232 G233 G237 V238S193-Y235 VanDerWaalsContact O-CE1 3.32Å; S193-Y235 WeakPolarHBondContact O-CE1 3.41Å; N196-Y235 VanDerWaalsContact ND2-CA 3.35Å; N196-Y235 WeakPolarHBondContact ND2-CA 3.15Å; L231-Y235 WeakPolarHBondContact O-CD2 3.41Å; R232-Y235 PolarHBondContact O-N 2.85Å; G233-Y235 PolarHBondContact O-N 3.02Å; Y235-G237 PolarHBondContact O-N 2.91Å; Y235-V238 WeakPolarHBondContact O-CB 3.24Å; Y235-V238 VanDerWaalsContact O-CG1 3.3Å; Y235-V238 WeakPolarHBondContact O-CG1 3.09Å; Y235-V238 PolarHBondContact O-N 2.91Å
236R89.9Confident91.5Very high59 Ų5964.3 Ų64.322%0.22330%0.302CS..THydrogen-bonded Turntrans-62.5132.5173.3-71.4-173.2176163.38.6111.1F200 D229 G233 V238 L344F200-R236 HydrophobicContact CD2-CB 4.49Å; F200-R236 HydrophobicContact CE2-CB 4.19Å; D229-R236 IonicContact OD1-CZ 2.64Å; D229-R236 IonicContact OD1-NH1 3.29Å; D229-R236 IonicContact OD1-NH2 3.56Å; D229-R236 PolarHBondContact OD1-NH2 3.47Å; D229-R236 IonicContact OD2-CZ 3.04Å; D229-R236 IonicContact OD2-NE 3.92Å; D229-R236 IonicContact OD2-NH1 2.98Å; D229-R236 PolarHBondContact OD2-NH1 3.3Å; D229-R236 IonicContact OD2-NH2 2.8Å; D229-R236 PolarHBondContact OD2-NH2 2.83Å; D229-R236 VanDerWaalsContact OD2-NH2 3.08Å; G233-R236 WeakPolarHBondContact O-CB 3.46Å; G233-R236 WeakPolarHBondContact O-CG 3.33Å; G233-R236 PolarHBondContact O-N 3.09Å; G233-R236 VanDerWaalsContact O-N 3.17Å; R236-V238 VanDerWaalsContact C-N 3.35Å; R236-L344 WeakPolarHBondContact CB-O 3.44Å
237G90.9Very high91.4Very high4 Ų458.3 Ų58.34%0.04128%0.28CS..THydrogen-bonded Turntrans84.7-2.9-177.600000115.3Y235 S239 A240 S241Y235-G237 PolarHBondContact O-N 2.91Å; G237-S239 VanDerWaalsContact C-N 3.28Å; G237-S239 PolarHBondContact O-N 3.3Å; G237-A240 WeakPolarHBondContact O-CA 3.26Å; G237-A240 WeakPolarHBondContact O-CB 3.37Å; G237-A240 PolarHBondContact O-N 2.98Å; G237-S241 PolarHBondContact O-N 3.41Å; G237-S241 PolarHBondContact O-OG 3.41Å
238V92.8Very high91Very high23 Ų2355 Ų5514%0.13927%0.272CS..Hα-helixtrans-60.3-36.7-179.575.20000112.5N196 Y235 R236 A240 S241 Y242N196-V238 HydrophobicContact CB-CG2 4.35Å; Y235-V238 WeakPolarHBondContact O-CB 3.24Å; Y235-V238 VanDerWaalsContact O-CG1 3.3Å; Y235-V238 WeakPolarHBondContact O-CG1 3.09Å; Y235-V238 PolarHBondContact O-N 2.91Å; R236-V238 VanDerWaalsContact C-N 3.35Å; V238-A240 VanDerWaalsContact C-N 3.29Å; V238-A240 PolarHBondContact O-N 2.87Å; V238-S241 VanDerWaalsContact O-CA 3.31Å; V238-S241 WeakPolarHBondContact O-CA 3.39Å; V238-S241 WeakPolarHBondContact O-CB 3.34Å; V238-S241 PolarHBondContact O-N 3.48Å; V238-Y242 HydrophobicContact CG1-CE2 4.37Å; V238-Y242 HydrophobicContact CG2-CE1 3.98Å; V238-Y242 HydrophobicContact CG2-CE2 4.16Å; V238-Y242 WeakPolarHBondContact CG2-OH 3.4Å; V238-Y242 PolarHBondContact O-N 3.47Å
239S93.2Very high91Very high43 Ų4351.1 Ų51.130%0.30126%0.26SS..Hα-helixtrans-61-39174.856.80000111.9G237 S241 Y242 F243G237-S239 VanDerWaalsContact C-N 3.28Å; G237-S239 PolarHBondContact O-N 3.3Å; S239-S241 VanDerWaalsContact C-N 3.28Å; S239-S241 PolarHBondContact O-N 2.92Å; S239-Y242 PolarHBondContact O-N 3.45Å; S239-F243 WeakPolarHBondContact O-CD2 3.31Å; S239-F243 PolarHBondContact O-N 2.76Å
240A93Very high91.1Very high0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-69.8-26.9173.300000111.9G237 V238 G244 H337 R341 L344 F354G237-A240 WeakPolarHBondContact O-CA 3.26Å; G237-A240 WeakPolarHBondContact O-CB 3.37Å; G237-A240 PolarHBondContact O-N 2.98Å; V238-A240 VanDerWaalsContact C-N 3.29Å; V238-A240 PolarHBondContact O-N 2.87Å; A240-G244 PolarHBondContact O-N 3.49Å; A240-H337 PolarHBondContact O-CD2 3.32Å; A240-R341 HydrophobicContact CB-CB 3.63Å; A240-R341 HydrophobicContact CB-CG 4.21Å; A240-R341 PolarHBondContact O-NH2 3Å; A240-L344 HydrophobicContact CB-CD1 4.25Å; A240-F354 HydrophobicContact CB-CD2 3.62Å; A240-F354 HydrophobicContact CB-CE2 3.79Å
241S92.3Very high91.1Very high11 Ų1151.4 Ų51.48%0.07726%0.255CS..Hα-helixtrans-62.5-44.7170.3-550000111.9G237 V238 S239 F243 G244 S245 R341G237-S241 PolarHBondContact O-N 3.41Å; G237-S241 PolarHBondContact O-OG 3.41Å; V238-S241 VanDerWaalsContact O-CA 3.31Å; V238-S241 WeakPolarHBondContact O-CA 3.39Å; V238-S241 WeakPolarHBondContact O-CB 3.34Å; V238-S241 PolarHBondContact O-N 3.48Å; S239-S241 VanDerWaalsContact C-N 3.28Å; S239-S241 PolarHBondContact O-N 2.92Å; S241-F243 PolarHBondContact O-N 3.27Å; S241-G244 WeakPolarHBondContact O-CA 3.4Å; S241-G244 PolarHBondContact O-N 2.86Å; S241-S245 PolarHBondContact O-N 2.87Å; S241-R341 VanDerWaalsContact CA-NH2 3.34Å
242Y93.9Very high90.8Very high79 Ų7952 Ų5231%0.3125%0.253SS..Hα-helixtrans-62.8-40.7178.1-55.3-37.8000113.1I189 S193 V238 S239 G244 S245I189-Y242 HydrophobicContact CB-CD1 4.39Å; I189-Y242 HydrophobicContact CB-CE1 4.28Å; I189-Y242 HydrophobicContact CG1-CD1 4.04Å; I189-Y242 HydrophobicContact CG1-CE1 4.41Å; I189-Y242 HydrophobicContact CG2-CD1 4.26Å; I189-Y242 HydrophobicContact CG2-CE1 3.78Å; S193-Y242 PolarHBondContact OG-OH 2.85Å; V238-Y242 HydrophobicContact CG1-CE2 4.37Å; V238-Y242 HydrophobicContact CG2-CE1 3.98Å; V238-Y242 HydrophobicContact CG2-CE2 4.16Å; V238-Y242 WeakPolarHBondContact CG2-OH 3.4Å; V238-Y242 PolarHBondContact O-N 3.47Å; S239-Y242 PolarHBondContact O-N 3.45Å; Y242-G244 PolarHBondContact O-N 3.42Å; Y242-S245 VanDerWaalsContact O-CB 3.29Å; Y242-S245 WeakPolarHBondContact O-CB 3.4Å; Y242-S245 PolarHBondContact O-N 3.48Å; Y242-S245 PolarHBondContact O-OG 2.9Å
243F92.8Very high90.8Very high73 Ų7345.7 Ų45.732%0.3224%0.238SC..Hα-helixtrans-61.3-28.7172.1-86.6-91.5000112.5S239 S241 S245 L246 L334 H337 F354 F355S239-F243 WeakPolarHBondContact O-CD2 3.31Å; S239-F243 PolarHBondContact O-N 2.76Å; S241-F243 PolarHBondContact O-N 3.27Å; F243-S245 VanDerWaalsContact C-N 3.26Å; F243-S245 PolarHBondContact O-N 3Å; F243-L246 HydrophobicContact CD1-CD1 3.92Å; F243-L246 HydrophobicContact CE1-CD1 4.29Å; F243-L246 WeakPolarHBondContact O-CB 3.26Å; F243-L246 PolarHBondContact O-N 2.92Å; F243-L334 VanDerWaalsContact O-CD2 3.22Å; F243-L334 WeakPolarHBondContact O-CD2 3.43Å; F243-H337 HydrophobicContact CB-CB 3.92Å; F243-F354 HydrophobicContact CB-CZ 4.13Å; F243-F354 HydrophobicContact CD1-CE1 4.06Å; F243-F354 HydrophobicContact CD1-CZ 4.15Å; F243-F354 AromaticContact CD2-CD1 3.94Å; F243-F354 HydrophobicContact CD2-CD1 3.94Å; F243-F354 AromaticContact CD2-CE1 3.57Å; F243-F354 HydrophobicContact CD2-CE1 3.57Å; F243-F354 HydrophobicContact CD2-CE2 4.43Å; F243-F354 AromaticContact CD2-CZ 3.84Å; F243-F354 HydrophobicContact CD2-CZ 3.84Å; F243-F354 HydrophobicContact CE1-CE1 4.05Å; F243-F354 AromaticContact CE2-CD1 3.74Å; F243-F354 HydrophobicContact CE2-CD1 3.74Å; F243-F354 AromaticContact CE2-CE1 3.57Å; F243-F354 HydrophobicContact CE2-CE1 3.57Å; F243-F354 HydrophobicContact CE2-CZ 4.31Å; F243-F354 AromaticContact CG-CE1 3.83Å; F243-F354 HydrophobicContact CG-CE1 3.83Å; F243-F354 AromaticContact CG-CZ 3.76Å; F243-F354 HydrophobicContact CG-CZ 3.76Å; F243-F354 HydrophobicContact CZ-CD1 4.27Å; F243-F354 AromaticContact CZ-CE1 3.82Å; F243-F354 HydrophobicContact CZ-CE1 3.82Å; F243-F355 HydrophobicContact CE2-CZ 4.24Å; F243-F355 HydrophobicContact CZ-CE1 4.33Å; F243-F355 AromaticContact CZ-CZ 3.79Å; F243-F355 HydrophobicContact CZ-CZ 3.79Å
244G89.5Confident90.8Very high14 Ų1446.7 Ų46.714%0.14424%0.244CC..Hα-helixtrans-65-29.7173.600000113.4A240 S241 Y242 L246 E247 H337A240-G244 PolarHBondContact O-N 3.49Å; S241-G244 WeakPolarHBondContact O-CA 3.4Å; S241-G244 PolarHBondContact O-N 2.86Å; Y242-G244 PolarHBondContact O-N 3.42Å; G244-L246 PolarHBondContact O-N 3.48Å; G244-E247 VanDerWaalsContact O-CB 3.27Å; G244-E247 WeakPolarHBondContact O-CB 3.3Å; G244-E247 PolarHBondContact O-N 2.91Å; G244-E247 VanDerWaalsContact O-N 3.11Å; G244-H337 VanDerWaalsContact CA-NE2 3.25Å; G244-H337 WeakPolarHBondContact CA-NE2 3.4Å
245S87.5Confident90.5Very high28 Ų2848.3 Ų48.320%0.19625%0.25CC..Hα-helixtrans-65-27.4175.3-50.40000112.4S188 S241 Y242 F243 E247 T248S188-S245 WeakPolarHBondContact CB-OG 3.37Å; S241-S245 PolarHBondContact O-N 2.87Å; Y242-S245 VanDerWaalsContact O-CB 3.29Å; Y242-S245 WeakPolarHBondContact O-CB 3.4Å; Y242-S245 PolarHBondContact O-N 3.48Å; Y242-S245 PolarHBondContact O-OG 2.9Å; F243-S245 VanDerWaalsContact C-N 3.26Å; F243-S245 PolarHBondContact O-N 3Å; S245-E247 PolarHBondContact O-N 3.16Å; S245-T248 PolarHBondContact O-N 3.32Å
246L91.1Very high90Very high92 Ų9246 Ų4648%0.48224%0.242SC..Hα-helixtrans-69.3-19.6175.4-59.8176.6000112.6F243 G244 T248 A249 L250 L334F243-L246 HydrophobicContact CD1-CD1 3.92Å; F243-L246 HydrophobicContact CE1-CD1 4.29Å; F243-L246 WeakPolarHBondContact O-CB 3.26Å; F243-L246 PolarHBondContact O-N 2.92Å; G244-L246 PolarHBondContact O-N 3.48Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.79Å; L246-A249 PolarHBondContact O-N 2.9Å; L246-L250 WeakPolarHBondContact O-CB 3.21Å; L246-L250 PolarHBondContact O-N 3.49Å; L246-L334 HydrophobicContact CB-CD2 3.62Å
247E90.3Very high89.9Confident24 Ų2446.7 Ų46.711%0.11225%0.251CS..Hα-helixtrans-62.6-42.3177.1-172.5-168.9134.800111.1G244 S245 N251 K327 A330 L334 H337G244-E247 VanDerWaalsContact O-CB 3.27Å; G244-E247 WeakPolarHBondContact O-CB 3.3Å; G244-E247 PolarHBondContact O-N 2.91Å; G244-E247 VanDerWaalsContact O-N 3.11Å; S245-E247 PolarHBondContact O-N 3.16Å; E247-N251 VanDerWaalsContact O-CB 3.25Å; E247-N251 WeakPolarHBondContact O-CB 3.3Å; E247-N251 PolarHBondContact O-N 3.47Å; E247-K327 WeakPolarHBondContact OE1-CE 3.26Å; E247-K327 IonicContact OE1-NZ 3.18Å; E247-K327 PolarHBondContact OE1-NZ 2.9Å; E247-A330 HydrophobicContact CG-CB 4.42Å; E247-L334 HydrophobicContact CB-CD2 4.4Å; E247-H337 IonicContact OE2-CE1 3.36Å
248T86.7Confident89.6Confident76 Ų7650.1 Ų50.147%0.46627%0.265SS..Hα-helixtrans-64.9-46.1177.3-56.90000110.8S245 L246 N251 F252S245-T248 PolarHBondContact O-N 3.32Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.79Å; T248-N251 PolarHBondContact O-N 2.68Å; T248-F252 HydrophobicContact CG2-CD2 3.89Å; T248-F252 HydrophobicContact CG2-CE2 3.56Å; T248-F252 WeakPolarHBondContact O-CD2 3.47Å; T248-F252 PolarHBondContact O-N 3.08Å; T248-F252 VanDerWaalsContact O-N 3.08Å
249A87.8Confident89.1Confident33 Ų3350.4 Ų50.427%0.27326%0.264SS..Hα-helixtrans-61.3-46.2177.800000111.6L181 L246 N251 F252 V253L181-A249 HydrophobicContact CD1-CB 4.48Å; L246-A249 PolarHBondContact O-N 2.9Å; A249-N251 PolarHBondContact O-N 3.3Å; A249-F252 PolarHBondContact O-N 3.18Å; A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 3.13Å; A249-V253 VanDerWaalsContact O-N 3.09Å
250L91.7Very high88.4Confident57 Ų5748.7 Ų48.730%0.29825%0.252SS..Hα-helixtrans-63.7-41.7178-173.864.4000111.4L246 F252 V253 V254 A330 A333 L334L246-L250 WeakPolarHBondContact O-CB 3.21Å; L246-L250 PolarHBondContact O-N 3.49Å; L250-F252 VanDerWaalsContact C-N 3.31Å; L250-F252 PolarHBondContact O-N 3.48Å; L250-V253 PolarHBondContact O-N 2.97Å; L250-V254 HydrophobicContact CD1-CG2 3.85Å; L250-V254 HydrophobicContact CG-CG2 4Å; L250-V254 WeakPolarHBondContact O-CB 3.27Å; L250-V254 VanDerWaalsContact O-CG2 3.27Å; L250-V254 WeakPolarHBondContact O-CG2 3.41Å; L250-V254 PolarHBondContact O-N 3.45Å; L250-A330 HydrophobicContact CB-CB 4.41Å; L250-A330 HydrophobicContact CD2-CB 4.32Å; L250-A330 HydrophobicContact CG-CB 4.31Å; L250-A333 HydrophobicContact CD2-CB 3.84Å; L250-L334 HydrophobicContact CB-CD1 4.02Å; L250-L334 HydrophobicContact CD2-CD1 3.26Å; L250-L334 HydrophobicContact CG-CD1 4.26Å
251N90.9Very high87.9Confident25 Ų2552.1 Ų52.113%0.13427%0.268CS..Hα-helixtrans-58.5-41.8176.6-179.767.6000112.1E247 T248 A249 Y255 S326 K327 A330E247-N251 VanDerWaalsContact O-CB 3.25Å; E247-N251 WeakPolarHBondContact O-CB 3.3Å; E247-N251 PolarHBondContact O-N 3.47Å; T248-N251 PolarHBondContact O-N 2.68Å; A249-N251 PolarHBondContact O-N 3.3Å; N251-Y255 WeakPolarHBondContact O-CB 3.39Å; N251-Y255 PolarHBondContact O-N 3.14Å; N251-S326 PolarHBondContact O-OG 3.24Å; N251-S326 PolarHBondContact OD1-OG 3.31Å; N251-K327 WeakPolarHBondContact OD1-CA 3.42Å; N251-K327 PolarHBondContact OD1-N 3.05Å; N251-A330 HydrophobicContact CB-CB 3.93Å
252F86.4Confident87.5Confident124 Ų12453.6 Ų53.654%0.54428%0.275SS..Hα-helixtrans-65.8-46.8176.1-79.5-64.9000112.2T248 A249 L250 V254 Y255 E256T248-F252 HydrophobicContact CG2-CD2 3.89Å; T248-F252 HydrophobicContact CG2-CE2 3.56Å; T248-F252 WeakPolarHBondContact O-CD2 3.47Å; T248-F252 PolarHBondContact O-N 3.08Å; T248-F252 VanDerWaalsContact O-N 3.08Å; A249-F252 PolarHBondContact O-N 3.18Å; L250-F252 VanDerWaalsContact C-N 3.31Å; L250-F252 PolarHBondContact O-N 3.48Å; F252-V254 PolarHBondContact O-N 3.36Å; F252-Y255 PolarHBondContact O-N 2.66Å; F252-E256 WeakPolarHBondContact O-CG 3.4Å; F252-E256 PolarHBondContact O-N 2.94Å
253V89.2Confident86.8Confident78 Ų7850.7 Ų50.747%0.47327%0.265SS..Hα-helixtrans-61.8-46.4179.8173.60000111.5A249 L250 Y255 N257A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 3.13Å; A249-V253 VanDerWaalsContact O-N 3.09Å; L250-V253 PolarHBondContact O-N 2.97Å; V253-Y255 VanDerWaalsContact C-N 3.35Å; V253-N257 PolarHBondContact O-N 2.96Å; V253-N257 PolarHBondContact O-ND2 3.26Å
254V90.8Very high86.2Confident20 Ų2050 Ų5012%0.12126%0.26CS..Hα-helixtrans-67-39.1178.8176.70000110.4L250 F252 N257 F258 S326 I329L250-V254 HydrophobicContact CD1-CG2 3.85Å; L250-V254 HydrophobicContact CG-CG2 4Å; L250-V254 WeakPolarHBondContact O-CB 3.27Å; L250-V254 VanDerWaalsContact O-CG2 3.27Å; L250-V254 WeakPolarHBondContact O-CG2 3.41Å; L250-V254 PolarHBondContact O-N 3.45Å; F252-V254 PolarHBondContact O-N 3.36Å; V254-N257 PolarHBondContact O-N 3.43Å; V254-F258 HydrophobicContact CG1-CD2 3.59Å; V254-F258 HydrophobicContact CG1-CE2 3.81Å; V254-F258 WeakPolarHBondContact O-CB 3.3Å; V254-F258 WeakPolarHBondContact O-CD2 3.38Å; V254-F258 PolarHBondContact O-N 3.28Å; V254-S326 VanDerWaalsContact CB-OG 3.31Å; V254-S326 WeakPolarHBondContact CB-OG 3.2Å; V254-S326 WeakPolarHBondContact CG1-OG 3.32Å; V254-I329 HydrophobicContact CG1-CB 4.33Å; V254-I329 HydrophobicContact CG1-CD1 4.1Å; V254-I329 HydrophobicContact CG1-CG2 4.31Å; V254-I329 HydrophobicContact CG2-CG2 4.44Å
255Y86.8Confident85.9Confident51 Ų5156.7 Ų56.720%0.228%0.281CS..Hα-helixtrans-61.7-48.3177.7168-101.6000111.6N251 F252 V253 N257 F258 K259 A322 S326N251-Y255 WeakPolarHBondContact O-CB 3.39Å; N251-Y255 PolarHBondContact O-N 3.14Å; F252-Y255 PolarHBondContact O-N 2.66Å; V253-Y255 VanDerWaalsContact C-N 3.35Å; Y255-N257 VanDerWaalsContact C-N 3.31Å; Y255-N257 PolarHBondContact O-N 3.05Å; Y255-F258 PolarHBondContact O-N 3Å; Y255-K259 HydrophobicContact CE1-CD 4.05Å; Y255-K259 HydrophobicContact CE2-CB 4.47Å; Y255-K259 VanDerWaalsContact O-CB 3.22Å; Y255-K259 WeakPolarHBondContact O-CB 3.16Å; Y255-K259 PolarHBondContact O-N 2.96Å; Y255-A322 HydrophobicContact CD2-CB 4.33Å; Y255-A322 HydrophobicContact CE2-CB 4.31Å; Y255-S326 PolarHBondContact N-OG 2.89Å
256E83.2Confident85.5Confident51 Ų5156.2 Ų56.224%0.23828%0.276CS..Hα-helixtrans-58.9-44.3178.1-76.4-62.7132.700111.3F252 S260 G303F252-E256 WeakPolarHBondContact O-CG 3.4Å; F252-E256 PolarHBondContact O-N 2.94Å; E256-S260 WeakPolarHBondContact O-CB 3.4Å; E256-S260 PolarHBondContact O-N 3.47Å; E256-S260 PolarHBondContact O-OG 2.89Å; E256-G303 PolarHBondContact OE2-N 3.34Å
257N86.7Confident84.9Confident74 Ų7454.8 Ų54.840%0.39627%0.266SS..Hα-helixtrans-64.4-47.3177.6-69.8-21.5000111.7V253 V254 Y255 S260 E261 R302V253-N257 PolarHBondContact O-N 2.96Å; V253-N257 PolarHBondContact O-ND2 3.26Å; V254-N257 PolarHBondContact O-N 3.43Å; Y255-N257 VanDerWaalsContact C-N 3.31Å; Y255-N257 PolarHBondContact O-N 3.05Å; N257-S260 PolarHBondContact O-N 3.37Å; N257-S260 PolarHBondContact O-OG 2.67Å; N257-E261 WeakPolarHBondContact O-CB 3.42Å; N257-E261 PolarHBondContact O-N 3.4Å; N257-E261 VanDerWaalsContact O-N 3.07Å; N257-R302 PolarHBondContact OD1-NH2 3.19Å
258F85.6Confident84.5Confident77 Ų7759 Ų5934%0.33829%0.285SS..Hα-helixtrans-64.4-45.5178.8-96.7-96.6000112.8V254 Y255 S260 E261 L262 A322 C325 I329V254-F258 HydrophobicContact CG1-CD2 3.59Å; V254-F258 HydrophobicContact CG1-CE2 3.81Å; V254-F258 WeakPolarHBondContact O-CB 3.3Å; V254-F258 WeakPolarHBondContact O-CD2 3.38Å; V254-F258 PolarHBondContact O-N 3.28Å; Y255-F258 PolarHBondContact O-N 3Å; F258-S260 VanDerWaalsContact C-N 3.32Å; F258-S260 PolarHBondContact O-N 3.04Å; F258-E261 PolarHBondContact O-N 3.48Å; F258-L262 WeakPolarHBondContact O-CB 3.46Å; F258-L262 VanDerWaalsContact O-CG 3.3Å; F258-L262 WeakPolarHBondContact O-CG 3.01Å; F258-L262 PolarHBondContact O-N 3.16Å; F258-A322 HydrophobicContact CB-CB 4.24Å; F258-C325 HydrophobicContact CD1-CB 4.27Å; F258-C325 HydrophobicContact CE1-CB 4.13Å; F258-I329 HydrophobicContact CD2-CD1 4.44Å; F258-I329 HydrophobicContact CE2-CD1 3.41Å; F258-I329 VanDerWaalsContact CE2-CD1 3.41Å; F258-I329 HydrophobicContact CZ-CD1 3.49Å; F258-I329 VanDerWaalsContact CZ-CD1 3.49Å
259K81.8Confident84.3Confident28 Ų2862.1 Ų62.112%0.12229%0.288CS..Hα-helixtrans-58.5-47.6176.8178.4-175.7173-1720110.2Y255 E261 L262 L263 S304 A322Y255-K259 HydrophobicContact CE1-CD 4.05Å; Y255-K259 HydrophobicContact CE2-CB 4.47Å; Y255-K259 VanDerWaalsContact O-CB 3.22Å; Y255-K259 WeakPolarHBondContact O-CB 3.16Å; Y255-K259 PolarHBondContact O-N 2.96Å; K259-E261 PolarHBondContact O-N 3.01Å; K259-L262 PolarHBondContact O-N 3.36Å; K259-L263 HydrophobicContact CD-CD1 4.45Å; K259-L263 HydrophobicContact CG-CD1 3.85Å; K259-L263 HydrophobicContact CG-CG 4.41Å; K259-L263 WeakPolarHBondContact O-CB 3.45Å; K259-L263 WeakPolarHBondContact O-CG 3.42Å; K259-L263 PolarHBondContact O-N 3.44Å; K259-S304 PolarHBondContact NZ-O 3.03Å; K259-A322 HydrophobicContact CB-CB 4.45Å
260S78.3Confident83.9Confident8 Ų864.5 Ų64.56%0.05629%0.292CS..Hα-helixtrans-61.4-42.1-178.676.50000112.7E256 N257 F258 W264 A298E256-S260 WeakPolarHBondContact O-CB 3.4Å; E256-S260 PolarHBondContact O-N 3.47Å; E256-S260 PolarHBondContact O-OG 2.89Å; N257-S260 PolarHBondContact O-N 3.37Å; N257-S260 PolarHBondContact O-OG 2.67Å; F258-S260 VanDerWaalsContact C-N 3.32Å; F258-S260 PolarHBondContact O-N 3.04Å; S260-W264 WeakPolarHBondContact O-CB 3.35Å; S260-W264 PolarHBondContact O-N 3.07Å; S260-A298 VanDerWaalsContact CB-O 3.28Å; S260-A298 WeakPolarHBondContact CB-O 3.25Å
261E83.2Confident83.2Confident72 Ų7267.9 Ų67.934%0.33630%0.301SS..Hα-helixtrans-69.1-39.8177.517860.3-159.800112.3N257 F258 K259 W264 R265N257-E261 WeakPolarHBondContact O-CB 3.42Å; N257-E261 PolarHBondContact O-N 3.4Å; N257-E261 VanDerWaalsContact O-N 3.07Å; F258-E261 PolarHBondContact O-N 3.48Å; K259-E261 PolarHBondContact O-N 3.01Å; E261-W264 WeakPolarHBondContact O-CB 3.44Å; E261-W264 PolarHBondContact O-N 3.01Å; E261-R265 VanDerWaalsContact O-CG 3.31Å; E261-R265 WeakPolarHBondContact O-CG 3.29Å; E261-R265 PolarHBondContact O-N 3.41Å; E261-R265 IonicContact OE1-CZ 3.51Å; E261-R265 IonicContact OE1-NE 3.9Å; E261-R265 PolarHBondContact OE1-NE 3.37Å; E261-R265 IonicContact OE1-NH2 2.9Å; E261-R265 PolarHBondContact OE1-NH2 2.96Å
262L83.6Confident82.7Confident42 Ų4271.9 Ų71.922%0.2232%0.318CS..Hα-helixtrans-69-43.6179.4-73.8171.7000111.9F258 K259 W264 R265 E266 L318 A322F258-L262 WeakPolarHBondContact O-CB 3.46Å; F258-L262 VanDerWaalsContact O-CG 3.3Å; F258-L262 WeakPolarHBondContact O-CG 3.01Å; F258-L262 PolarHBondContact O-N 3.16Å; K259-L262 PolarHBondContact O-N 3.36Å; L262-W264 VanDerWaalsContact C-N 3.33Å; L262-R265 PolarHBondContact O-N 2.96Å; L262-E266 PolarHBondContact O-N 3.15Å; L262-L318 HydrophobicContact CB-CD1 3.94Å; L262-L318 HydrophobicContact CB-CD2 3.61Å; L262-L318 HydrophobicContact CB-CG 3.69Å; L262-L318 HydrophobicContact CD1-CD1 4.42Å; L262-L318 HydrophobicContact CD1-CG 4.17Å; L262-L318 HydrophobicContact CD2-CD1 4.3Å; L262-L318 HydrophobicContact CG-CD1 4.46Å; L262-L318 HydrophobicContact CG-CG 4.43Å; L262-A322 HydrophobicContact CD1-CB 3.82Å
263L79.1Confident82.3Confident18 Ų1871.3 Ų71.39%0.09432%0.32CS..Hα-helixtrans-64.5-39.7175.5-70.3173.7000111.3K259 R265 E266 H267 F301 L318K259-L263 HydrophobicContact CD-CD1 4.45Å; K259-L263 HydrophobicContact CG-CD1 3.85Å; K259-L263 HydrophobicContact CG-CG 4.41Å; K259-L263 WeakPolarHBondContact O-CB 3.45Å; K259-L263 WeakPolarHBondContact O-CG 3.42Å; K259-L263 PolarHBondContact O-N 3.44Å; L263-R265 PolarHBondContact O-N 2.81Å; L263-E266 PolarHBondContact O-N 3.16Å; L263-H267 WeakPolarHBondContact O-CB 3.44Å; L263-H267 PolarHBondContact O-N 3.26Å; L263-F301 HydrophobicContact CB-CB 4.06Å; L263-F301 HydrophobicContact CB-CD1 3.64Å; L263-F301 HydrophobicContact CB-CE1 4.27Å; L263-F301 HydrophobicContact CB-CG 3.88Å; L263-F301 HydrophobicContact CD1-CB 4.29Å; L263-F301 HydrophobicContact CD1-CD1 4.2Å; L263-L318 HydrophobicContact CD2-CD2 3.66Å; L263-L318 HydrophobicContact CG-CD2 4.03Å
264W79.4Confident81.6Confident58 Ų5872.1 Ų72.122%0.2233%0.326CS..Hα-helixtrans-56.9-47173.4176.2-112000112.4S260 E261 L262 E266 H267 K268 P295 Q296 K297 A298 F301S260-W264 WeakPolarHBondContact O-CB 3.35Å; S260-W264 PolarHBondContact O-N 3.07Å; E261-W264 WeakPolarHBondContact O-CB 3.44Å; E261-W264 PolarHBondContact O-N 3.01Å; L262-W264 VanDerWaalsContact C-N 3.33Å; W264-E266 VanDerWaalsContact C-N 3.34Å; W264-E266 PolarHBondContact O-N 2.91Å; W264-H267 PolarHBondContact O-N 3.34Å; W264-K268 WeakPolarHBondContact O-CB 3.42Å; W264-K268 PolarHBondContact O-N 3.45Å; W264-P295 HydrophobicContact CZ3-CB 4.43Å; W264-P295 VanDerWaalsContact CZ3-O 3.29Å; W264-P295 WeakPolarHBondContact CZ3-O 3.25Å; W264-Q296 WeakPolarHBondContact CH2-O 3.34Å; W264-Q296 VanDerWaalsContact CZ3-C 3.43Å; W264-K297 VanDerWaalsContact CE3-C 3.5Å; W264-A298 HydrophobicContact CB-CB 3.72Å; W264-A298 HydrophobicContact CD2-CB 4.45Å; W264-A298 HydrophobicContact CG-CB 3.86Å; W264-F301 HydrophobicContact CB-CD2 4.33Å; W264-F301 HydrophobicContact CE3-CD2 4.01Å; W264-F301 AromaticContact CE3-CE2 3.66Å; W264-F301 HydrophobicContact CE3-CE2 3.66Å; W264-F301 HydrophobicContact CZ3-CE2 4.25Å
265R83.6Confident80.8Confident154 Ų15477.6 Ų77.658%0.58135%0.354SS*.Hα-helixtrans-62.3-41177.2-73.4175.2-174.8-1580.6112.2E261 L262 L263 R269E261-R265 VanDerWaalsContact O-CG 3.31Å; E261-R265 WeakPolarHBondContact O-CG 3.29Å; E261-R265 PolarHBondContact O-N 3.41Å; E261-R265 IonicContact OE1-CZ 3.51Å; E261-R265 IonicContact OE1-NE 3.9Å; E261-R265 PolarHBondContact OE1-NE 3.37Å; E261-R265 IonicContact OE1-NH2 2.9Å; E261-R265 PolarHBondContact OE1-NH2 2.96Å; L262-R265 PolarHBondContact O-N 2.96Å; L263-R265 PolarHBondContact O-N 2.81Å; R265-R269 WeakPolarHBondContact O-CB 2.87Å; R265-R269 PolarHBondContact O-N 2.7Å
266E79.1Confident79.9Confident19 Ų1981.9 Ų81.99%0.08938%0.38CS..Hα-helixtrans-67.2-44.3177.9-177.7164.7174.900111.8L262 L263 W264 R269 K270L262-E266 PolarHBondContact O-N 3.15Å; L263-E266 PolarHBondContact O-N 3.16Å; W264-E266 VanDerWaalsContact C-N 3.34Å; W264-E266 PolarHBondContact O-N 2.91Å; E266-R269 PolarHBondContact O-N 2.75Å; E266-K270 HydrophobicContact CG-CD 4.36Å; E266-K270 WeakPolarHBondContact O-CG 3.28Å; E266-K270 PolarHBondContact O-N 3.16Å; E266-K270 WeakPolarHBondContact OE1-CE 3.48Å; E266-K270 IonicContact OE1-NZ 2.87Å; E266-K270 PolarHBondContact OE1-NZ 3.41Å
267H79Confident78.9Confident61 Ų6182.9 Ų82.928%0.28239%0.393SS..Hα-helixtrans-62.6-43.8177.1-169.678.6000111.4L263 W264 R269 K270 R271 F301L263-H267 WeakPolarHBondContact O-CB 3.44Å; L263-H267 PolarHBondContact O-N 3.26Å; W264-H267 PolarHBondContact O-N 3.34Å; H267-R269 VanDerWaalsContact C-N 3.33Å; H267-R269 PolarHBondContact O-N 3.18Å; H267-K270 PolarHBondContact O-N 3.35Å; H267-R271 WeakPolarHBondContact O-CB 3.34Å; H267-R271 PolarHBondContact O-N 3.25Å; H267-F301 HydrophobicContact CB-CE1 4.27Å; H267-F301 HydrophobicContact CB-CE2 4.12Å; H267-F301 HydrophobicContact CB-CZ 3.49Å; H267-F301 VanDerWaalsContact CB-CZ 3.49Å; H267-F301 AromaticContact CG-CZ 3.56Å; H267-F301 AromaticContact ND1-CZ 3.99Å
268K81.8Confident77.4Confident114 Ų11485.2 Ų85.250%0.49641%0.412SS..Hα-helixtrans-59.3-42.5174.2-172.1176.9-178179.30111.9W264 R271 Q272W264-K268 WeakPolarHBondContact O-CB 3.42Å; W264-K268 PolarHBondContact O-N 3.45Å; K268-R271 PolarHBondContact O-N 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.03Å; K268-Q272 PolarHBondContact O-N 3Å
269R82.8Confident76Confident140 Ų14084.5 Ų84.553%0.52841%0.414SS..Hα-helixtrans-64.1-43.9175.9-172.3-178.166.2168-3.4111.8R265 E266 H267 Q272 L273R265-R269 WeakPolarHBondContact O-CB 2.87Å; R265-R269 PolarHBondContact O-N 2.7Å; E266-R269 PolarHBondContact O-N 2.75Å; H267-R269 VanDerWaalsContact C-N 3.33Å; H267-R269 PolarHBondContact O-N 3.18Å; R269-Q272 PolarHBondContact O-N 3.45Å; R269-L273 HydrophobicContact CG-CD1 4.16Å; R269-L273 WeakPolarHBondContact O-CG 3.31Å; R269-L273 PolarHBondContact O-N 3.47Å
270K79.5Confident74.2Confident84 Ų8487 Ų8737%0.36543%0.433SS..Hα-helixtrans-61-44.3176.1-74.1177-177.8166.30110.9E266 H267 Q272 L273 T274 S311E266-K270 HydrophobicContact CG-CD 4.36Å; E266-K270 WeakPolarHBondContact O-CG 3.28Å; E266-K270 PolarHBondContact O-N 3.16Å; E266-K270 WeakPolarHBondContact OE1-CE 3.48Å; E266-K270 IonicContact OE1-NZ 2.87Å; E266-K270 PolarHBondContact OE1-NZ 3.41Å; H267-K270 PolarHBondContact O-N 3.35Å; K270-Q272 PolarHBondContact O-N 3.17Å; K270-L273 PolarHBondContact O-N 2.87Å; K270-T274 WeakPolarHBondContact O-CG2 3.46Å; K270-T274 PolarHBondContact O-N 3.44Å; K270-T274 PolarHBondContact O-OG1 3.29Å; K270-S311 PolarHBondContact NZ-OG 2.98Å
271R77.4Confident73Confident128 Ų12893.9 Ų93.948%0.48347%0.467SS..Hα-helixtrans-63.3-37.3176.9-169.2175.2-178.5174.82.6113.2H267 K268 T274 L275H267-R271 WeakPolarHBondContact O-CB 3.34Å; H267-R271 PolarHBondContact O-N 3.25Å; K268-R271 PolarHBondContact O-N 3.28Å; R271-T274 WeakPolarHBondContact CA-OG1 3.26Å; R271-T274 PolarHBondContact O-OG1 2.91Å; R271-L275 HydrophobicContact CG-CD1 4.37Å; R271-L275 PolarHBondContact O-N 2.84Å; R271-L275 VanDerWaalsContact O-N 3.17Å
272Q78.7Confident71.3Confident108 Ų10895 Ų9551%0.50548%0.483SS..Hα-helixtrans-68.5-36.6174.6-75176.9-16.500112.3K268 R269 K270 N276K268-Q272 WeakPolarHBondContact O-CG 3.03Å; K268-Q272 PolarHBondContact O-N 3Å; R269-Q272 PolarHBondContact O-N 3.45Å; K270-Q272 PolarHBondContact O-N 3.17Å; Q272-N276 PolarHBondContact O-N 3.09Å; Q272-N276 PolarHBondContact O-ND2 3.3Å
273L78.4Confident69.7Low112 Ų11299.4 Ų99.459%0.58650%0.503SS*.Hα-helixtrans-69-39.6176.3-73.8161.4000112.1R269 K270 L275 N276 S277R269-L273 HydrophobicContact CG-CD1 4.16Å; R269-L273 WeakPolarHBondContact O-CG 3.31Å; R269-L273 PolarHBondContact O-N 3.47Å; K270-L273 PolarHBondContact O-N 2.87Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-N276 PolarHBondContact O-N 3.04Å; L273-S277 PolarHBondContact O-N 3.23Å
274T75.5Confident68.1Low96 Ų96104.4 Ų104.459%0.58953%0.525SS*.Hα-helixtrans-67.8-34176.654.60000112.5K270 R271 N276K270-T274 WeakPolarHBondContact O-CG2 3.46Å; K270-T274 PolarHBondContact O-N 3.44Å; K270-T274 PolarHBondContact O-OG1 3.29Å; R271-T274 WeakPolarHBondContact CA-OG1 3.26Å; R271-T274 PolarHBondContact O-OG1 2.91Å; T274-N276 VanDerWaalsContact C-N 3.35Å
275L73.1Confident66.1Low134 Ų134106.3 Ų106.370%0.70255%0.548SS*.Hα-helixtrans-69.4-27.9174.4-89.8157000113.8R271 L273R271-L275 HydrophobicContact CG-CD1 4.37Å; R271-L275 PolarHBondContact O-N 2.84Å; R271-L275 VanDerWaalsContact O-N 3.17Å; L273-L275 VanDerWaalsContact C-N 3.34Å
276N67.3Low64.1Low141 Ų141105 Ų10575%0.75456%0.557SS**Hα-helixtrans-93-4.9-178.3-71.9-16.3000113.9Q272 L273 T274Q272-N276 PolarHBondContact O-N 3.09Å; Q272-N276 PolarHBondContact O-ND2 3.3Å; L273-N276 PolarHBondContact O-N 3.04Å; T274-N276 VanDerWaalsContact C-N 3.35Å
277S62.5Low62Low72 Ų72114.5 Ų114.550%0.50359%0.593SS.*SBendtrans-89.3127.1176.8-163.20000109.5L273 V279L273-S277 PolarHBondContact O-N 3.23Å; S277-V279 PolarHBondContact O-N 2.92Å
278P55.6Low59.8Low123 Ų123116.8 Ų116.880%0.79962%0.616SS**  trans-68.399.4172.726.8-29.9000108.3
279V55.5Low57.5Low63 Ų63116.5 Ų116.538%0.38263%0.628SS.*  trans-79.7127.3173.6-177.10000107.5S277 I281 E283S277-V279 PolarHBondContact O-N 2.92Å; V279-I281 PolarHBondContact O-N 3.43Å; V279-E283 HydrophobicContact CG1-CB 4.29Å
280P45.2Very low55.4Low80 Ų80117.2 Ų117.252%0.51964%0.643SS.*  trans-59.1134170.423-29.9000109.6S282 E283P280-S282 PolarHBondContact O-N 2.86Å; P280-E283 PolarHBondContact O-N 2.83Å; P280-E283 VanDerWaalsContact O-N 3.17Å
281I51.8Low53.4Low152 Ų152120.8 Ų120.878%0.77967%0.666SS**THydrogen-bonded Turntrans-53.7-14.8-173.3-63.8164.4000113V279V279-I281 PolarHBondContact O-N 3.43Å
282S49.2Very low51.5Low96 Ų96121 Ų12167%0.67168%0.677SS**THydrogen-bonded Turntrans-75.8-13.5179530000116.3P280P280-S282 PolarHBondContact O-N 2.86Å
283E49Very low50.1Low135 Ų135126.7 Ų126.763%0.63170%0.695SS**SBendtrans-107.7-5.5-177.7-77.6-174.4163.400115.1V279 P280 S285V279-E283 HydrophobicContact CG1-CB 4.29Å; P280-E283 PolarHBondContact O-N 2.83Å; P280-E283 VanDerWaalsContact O-N 3.17Å; E283-S285 VanDerWaalsContact C-N 3.29Å; E283-S285 PolarHBondContact O-N 3.47Å
284Q44.8Very low49Very low122 Ų122124.6 Ų124.657%0.5768%0.684SS**THydrogen-bonded Turntrans-73.4-14.9-175.9-87.6166.5-19.500114.7
285S38.7Very low48.1Very low99 Ų99121.2 Ų121.269%0.69266%0.664SS**THydrogen-bonded Turntrans-88.3-8.8-174.254.30000115.2E283E283-S285 VanDerWaalsContact C-N 3.29Å; E283-S285 PolarHBondContact O-N 3.47Å
286V40.7Very low47.3Very low126 Ų126122.4 Ų122.476%0.76467%0.666SS**SBendtrans-102-11.4-174.3-177.50000113.4
287Y35.3Very low47Very low219 Ų219122.3 Ų122.386%0.85966%0.659SS**SBendtrans-93.92.7-175.9-108.9-89.7000115.7
288S33.2Very low47Very low108 Ų108119.7 Ų119.776%0.75564%0.642SS**SBendtrans-97.819.8-166-59.20000115.2
289S34.4Very low47.3Very low108 Ų108116.9 Ų116.976%0.75563%0.625SS**  trans-139.120.5-168.1-154.50000117.9
290D38.6Very low47.5Very low155 Ų155117.8 Ų117.883%0.82963%0.628SS**SBendtrans-119.591.6171.3-80.2-35.5000111.2D292D290-D292 PolarHBondContact O-N 3.07Å
291N36.6Very low48.2Very low160 Ų160115.3 Ų115.386%0.85661%0.609SS**  trans19.981.5162.7-75.9-53.6000116.5Y293N291-Y293 PolarHBondContact O-N 2.67Å
292D38.5Very low48.6Very low133 Ų133113.7 Ų113.771%0.71159%0.593SS**  trans-67.682.2-178.5-107.3-25.7000113.1D290 L294D290-D292 PolarHBondContact O-N 3.07Å; D292-L294 PolarHBondContact O-N 2.83Å; D292-L294 WeakPolarHBondContact OD1-CD1 3.2Å
293Y48.5Very low49Very low226 Ų226111.9 Ų111.989%0.88659%0.59SS**  trans-85.670.3147.2-78.1-84.8000108.2N291 P295N291-Y293 PolarHBondContact O-N 2.67Å; Y293-P295 VanDerWaalsContact O-CD 3.28Å; Y293-P295 WeakPolarHBondContact O-CD 3.28Å
294L54.3Low49.3Very low68 Ų68108.2 Ų108.236%0.35658%0.579SS.*  trans-67.6113.6174.4-127.3157.3000107.4D292 Q296D292-L294 PolarHBondContact O-N 2.83Å; D292-L294 WeakPolarHBondContact OD1-CD1 3.2Å; L294-Q296 PolarHBondContact O-N 2.93Å
295P56.6Low49.6Very low26 Ų26107.9 Ų107.917%0.16959%0.59CS.*  trans-59.4126.6-175.421.7-30.9000109.4W264 Y293 D300 F301W264-P295 HydrophobicContact CZ3-CB 4.43Å; W264-P295 VanDerWaalsContact CZ3-O 3.29Å; W264-P295 WeakPolarHBondContact CZ3-O 3.25Å; Y293-P295 VanDerWaalsContact O-CD 3.28Å; Y293-P295 WeakPolarHBondContact O-CD 3.28Å; P295-D300 HydrophobicContact CB-CB 3.81Å; P295-F301 HydrophobicContact CB-CD2 4.2Å; P295-F301 HydrophobicContact CB-CE2 3.53Å; P295-F301 HydrophobicContact CB-CZ 3.97Å; P295-F301 HydrophobicContact CG-CE2 3.62Å; P295-F301 HydrophobicContact CG-CZ 3.53Å
296Q57.3Low49.7Very low159 Ų159105.9 Ų105.974%0.74359%0.585SS**  trans-102.6-20-178.1-73-170.6-3.200112.3W264 L294 D300W264-Q296 WeakPolarHBondContact CH2-O 3.34Å; W264-Q296 VanDerWaalsContact CZ3-C 3.43Å; L294-Q296 PolarHBondContact O-N 2.93Å; Q296-D300 PolarHBondContact N-OD2 2.87Å
297K61.6Low49.5Very low138 Ų138102.2 Ų102.260%0.657%0.572SS**SBendtrans-138.7157.7-178.9-69177.7-177.2171.40111.2W264 S299 D300W264-K297 VanDerWaalsContact CE3-C 3.5Å; K297-S299 WeakPolarHBondContact CB-OG 3.41Å; K297-S299 PolarHBondContact O-N 3.16Å; K297-D300 PolarHBondContact N-OD2 3.47Å; K297-D300 WeakPolarHBondContact O-CB 3.29Å; K297-D300 VanDerWaalsContact O-CG 3.32Å; K297-D300 PolarHBondContact O-N 2.92Å
298A61Low49.7Very low18 Ų1896.5 Ų96.515%0.14957%0.565CS.*G310 helixtrans-56.5-33.5175.700000112.6S260 W264 D300 F301S260-A298 VanDerWaalsContact CB-O 3.28Å; S260-A298 WeakPolarHBondContact CB-O 3.25Å; W264-A298 HydrophobicContact CB-CB 3.72Å; W264-A298 HydrophobicContact CD2-CB 4.45Å; W264-A298 HydrophobicContact CG-CB 3.86Å; A298-D300 PolarHBondContact O-N 3.1Å; A298-D300 VanDerWaalsContact O-N 3.08Å; A298-F301 WeakPolarHBondContact O-CB 3.4Å; A298-F301 PolarHBondContact O-N 3.27Å
299S61.8Low50.5Low64 Ų64100.8 Ų100.845%0.44857%0.57SS.*G310 helixtrans-51.6-31.5174.548.90000113.9K297 F301 R302K297-S299 WeakPolarHBondContact CB-OG 3.41Å; K297-S299 PolarHBondContact O-N 3.16Å; S299-F301 PolarHBondContact O-N 3.44Å; S299-R302 WeakPolarHBondContact O-CB 3.25Å; S299-R302 WeakPolarHBondContact O-CG 3.49Å; S299-R302 PolarHBondContact O-N 3.38Å; S299-R302 VanDerWaalsContact O-N 3.08Å
300D60.3Low51.2Low82 Ų82102.7 Ų102.744%0.43957%0.571SS.*G310 helixtrans-73.3-16.2-174.3-50.2-13.4000111.2P295 Q296 K297 A298P295-D300 HydrophobicContact CB-CB 3.81Å; Q296-D300 PolarHBondContact N-OD2 2.87Å; K297-D300 PolarHBondContact N-OD2 3.47Å; K297-D300 WeakPolarHBondContact O-CB 3.29Å; K297-D300 VanDerWaalsContact O-CG 3.32Å; K297-D300 PolarHBondContact O-N 2.92Å; A298-D300 PolarHBondContact O-N 3.1Å; A298-D300 VanDerWaalsContact O-N 3.08Å
301F60.1Low52.2Low27 Ų2796.7 Ų96.712%0.11854%0.541CS..G310 helixtrans-88-7.6173.2-74.7-85.3000113.7L263 W264 H267 P295 A298 S299 G303 S304L263-F301 HydrophobicContact CB-CB 4.06Å; L263-F301 HydrophobicContact CB-CD1 3.64Å; L263-F301 HydrophobicContact CB-CE1 4.27Å; L263-F301 HydrophobicContact CB-CG 3.88Å; L263-F301 HydrophobicContact CD1-CB 4.29Å; L263-F301 HydrophobicContact CD1-CD1 4.2Å; W264-F301 HydrophobicContact CB-CD2 4.33Å; W264-F301 HydrophobicContact CE3-CD2 4.01Å; W264-F301 AromaticContact CE3-CE2 3.66Å; W264-F301 HydrophobicContact CE3-CE2 3.66Å; W264-F301 HydrophobicContact CZ3-CE2 4.25Å; H267-F301 HydrophobicContact CB-CE1 4.27Å; H267-F301 HydrophobicContact CB-CE2 4.12Å; H267-F301 HydrophobicContact CB-CZ 3.49Å; H267-F301 VanDerWaalsContact CB-CZ 3.49Å; H267-F301 AromaticContact CG-CZ 3.56Å; H267-F301 AromaticContact ND1-CZ 3.99Å; P295-F301 HydrophobicContact CB-CD2 4.2Å; P295-F301 HydrophobicContact CB-CE2 3.53Å; P295-F301 HydrophobicContact CB-CZ 3.97Å; P295-F301 HydrophobicContact CG-CE2 3.62Å; P295-F301 HydrophobicContact CG-CZ 3.53Å; A298-F301 WeakPolarHBondContact O-CB 3.4Å; A298-F301 PolarHBondContact O-N 3.27Å; S299-F301 PolarHBondContact O-N 3.44Å; F301-G303 PolarHBondContact O-N 3.42Å; F301-S304 PolarHBondContact O-N 3.17Å
302R59.3Low53.6Low118 Ų11891 Ų9145%0.44552%0.516SS..THydrogen-bonded Turntrans-65.8130.9177.3-64.5-177.884.6173.410.1109.5N257 S299 S304N257-R302 PolarHBondContact OD1-NH2 3.19Å; S299-R302 WeakPolarHBondContact O-CB 3.25Å; S299-R302 WeakPolarHBondContact O-CG 3.49Å; S299-R302 PolarHBondContact O-N 3.38Å; S299-R302 VanDerWaalsContact O-N 3.08Å; R302-S304 PolarHBondContact O-N 3.16Å
303G58.8Low55.2Low59 Ų5987.7 Ų87.761%0.60850%0.503SS*.THydrogen-bonded Turntrans73-0.5-17600000116.8E256 F301E256-G303 PolarHBondContact OE2-N 3.34Å; F301-G303 PolarHBondContact O-N 3.42Å
304S54.9Low56.5Low58 Ų5883 Ų8341%0.40649%0.487SS..  trans-73131.5-179.9-1700000112.2K259 F301 R302K259-S304 PolarHBondContact NZ-O 3.03Å; F301-S304 PolarHBondContact O-N 3.17Å; R302-S304 PolarHBondContact O-N 3.16Å
305S51.1Low57.5Low115 Ų11580.8 Ų80.880%0.80448%0.476SS*.  trans-93.2113.8174.6-74.70000109.2
306G41.2Very low58.5Low56 Ų5684.6 Ų84.658%0.57749%0.493SS*.  trans-63.5135.8-172.400000114.4
307G36.1Very low59.9Low49 Ų4981.7 Ų81.751%0.50548%0.481SS..  trans-92.8163.2176.400000114.1S311G307-S311 VanDerWaalsContact O-CB 3.28Å; G307-S311 WeakPolarHBondContact O-CB 3.15Å
308S40.1Very low60.9Low100 Ų10076.6 Ų76.670%0.69946%0.461SS*.SBendtrans60.7120.6179.3-47.10000116.7L310 S311 A312S308-L310 PolarHBondContact O-N 3.33Å; S308-S311 CarbonylContact O-C 3.6Å; S308-S311 WeakPolarHBondContact O-CA 3.41Å; S308-S311 PolarHBondContact O-N 3.13Å; S308-A312 PolarHBondContact O-N 3.02Å
309K49Very low61.9Low197 Ų19777.1 Ų77.186%0.85746%0.463SS*.Hα-helixtrans-48.2-34.1-175.2-72.6-175.3177.9177.90115.6A312 S313K309-A312 WeakPolarHBondContact O-CB 3.43Å; K309-S313 PolarHBondContact O-N 3.27Å
310L49.4Very low63.2Low149 Ų14979.8 Ų79.878%0.7847%0.469SS*.Hα-helixtrans-81-31.2178.6-16666.1000113.4S308 A312S308-L310 PolarHBondContact O-N 3.33Å; L310-A312 VanDerWaalsContact C-N 3.34Å
311S59.9Low64.5Low28 Ų2880.2 Ų80.220%0.19647%0.471CS..Hα-helixtrans-70.8-37.3167.6-160.20000109.5K270 G307 S308 S313 K314 D315K270-S311 PolarHBondContact NZ-OG 2.98Å; G307-S311 VanDerWaalsContact O-CB 3.28Å; G307-S311 WeakPolarHBondContact O-CB 3.15Å; S308-S311 CarbonylContact O-C 3.6Å; S308-S311 WeakPolarHBondContact O-CA 3.41Å; S308-S311 PolarHBondContact O-N 3.13Å; S311-S313 VanDerWaalsContact C-N 3.31Å; S311-S313 PolarHBondContact O-N 2.75Å; S311-K314 PolarHBondContact O-N 3.06Å; S311-D315 VanDerWaalsContact C-OD2 3.27Å; S311-D315 WeakPolarHBondContact CB-OD2 3.23Å; S311-D315 VanDerWaalsContact O-CB 3.28Å; S311-D315 WeakPolarHBondContact O-CB 3.37Å; S311-D315 PolarHBondContact O-N 3.05Å; S311-D315 VanDerWaalsContact O-OD2 3.05Å; S311-D315 PolarHBondContact OG-OD2 2.71Å
312A65.6Low65.7Low42 Ų4278.9 Ų78.935%0.34747%0.465SS..Hα-helixtrans-55.1-39.6179.800000113.4S308 K309 L310 M316S308-A312 PolarHBondContact O-N 3.02Å; K309-A312 WeakPolarHBondContact O-CB 3.43Å; L310-A312 VanDerWaalsContact C-N 3.34Å; A312-M316 WeakPolarHBondContact O-CA 3.37Å; A312-M316 WeakPolarHBondContact O-CB 3.42Å; A312-M316 PolarHBondContact O-N 3.05Å
313S72.5Confident67.1Low62 Ų6275.9 Ų75.943%0.43446%0.462SS..Hα-helixtrans-68.8-41.1176.8-61.30000113.3K309 S311 M316 I317K309-S313 PolarHBondContact O-N 3.27Å; S311-S313 VanDerWaalsContact C-N 3.31Å; S311-S313 PolarHBondContact O-N 2.75Å; S313-M316 PolarHBondContact O-N 3.44Å; S313-I317 WeakPolarHBondContact O-CG1 3.36Å; S313-I317 PolarHBondContact O-N 3.43Å
314K74.7Confident68.5Low128 Ų12876 Ų7656%0.55746%0.457SS*.Hα-helixtrans-68.3-46.1175.8-76.4-179.5176.7172.70110.7S311 M316 I317 L318S311-K314 PolarHBondContact O-N 3.06Å; K314-M316 PolarHBondContact O-N 3.28Å; K314-I317 PolarHBondContact O-N 3.42Å; K314-L318 WeakPolarHBondContact O-CB 3.4Å; K314-L318 PolarHBondContact O-N 2.93Å
315D75.4Confident70.3Confident21 Ų2175.7 Ų75.711%0.11246%0.455CS..Hα-helixtrans-59.9-37.2175.4-63.6-29.5000110.5S311 C319S311-D315 VanDerWaalsContact C-OD2 3.27Å; S311-D315 WeakPolarHBondContact CB-OD2 3.23Å; S311-D315 VanDerWaalsContact O-CB 3.28Å; S311-D315 WeakPolarHBondContact O-CB 3.37Å; S311-D315 PolarHBondContact O-N 3.05Å; S311-D315 VanDerWaalsContact O-OD2 3.05Å; S311-D315 PolarHBondContact OG-OD2 2.71Å; D315-C319 VanDerWaalsContact O-CB 3.24Å; D315-C319 WeakPolarHBondContact O-CB 3.18Å; D315-C319 PolarHBondContact O-N 2.82Å; D315-C319 PolarHBondContact O-SG 2.86Å
316M79.4Confident72.2Confident107 Ų10770.2 Ų70.253%0.52742%0.416SS..Hα-helixtrans-65.6-48.9174.3-179-178.967.500111.8A312 S313 K314 L318 C319 M320A312-M316 WeakPolarHBondContact O-CA 3.37Å; A312-M316 WeakPolarHBondContact O-CB 3.42Å; A312-M316 PolarHBondContact O-N 3.05Å; S313-M316 PolarHBondContact O-N 3.44Å; K314-M316 PolarHBondContact O-N 3.28Å; M316-L318 VanDerWaalsContact C-N 3.3Å; M316-L318 PolarHBondContact O-N 3.07Å; M316-C319 CarbonylContact O-C 3.57Å; M316-C319 WeakPolarHBondContact O-CB 3.4Å; M316-C319 PolarHBondContact O-N 2.97Å; M316-M320 HydrophobicContact CG-SD 4.36Å; M316-M320 VanDerWaalsContact O-CG 3.29Å; M316-M320 WeakPolarHBondContact O-CG 3.45Å; M316-M320 PolarHBondContact O-N 3.31Å
317I84.9Confident74.6Confident97 Ų9770.7 Ų70.750%0.49740%0.402SS..Hα-helixtrans-60.6-43.2176.6-67.6166.7000110.3S313 K314 C319 M320 I321S313-I317 WeakPolarHBondContact O-CG1 3.36Å; S313-I317 PolarHBondContact O-N 3.43Å; K314-I317 PolarHBondContact O-N 3.42Å; I317-C319 VanDerWaalsContact C-N 3.33Å; I317-C319 PolarHBondContact O-N 3.14Å; I317-M320 WeakPolarHBondContact O-CB 3.4Å; I317-M320 PolarHBondContact O-N 3.41Å; I317-M320 VanDerWaalsContact O-N 3.17Å; I317-I321 HydrophobicContact CG2-CD1 3.98Å; I317-I321 WeakPolarHBondContact O-CG1 3.15Å; I317-I321 PolarHBondContact O-N 3.05Å
318L83.1Confident77.3Confident32 Ų3270 Ų7017%0.16839%0.392CS..Hα-helixtrans-59.8-44.8176-162.184.9000111L262 L263 K314 M316 M320 I321 A322L262-L318 HydrophobicContact CB-CD1 3.94Å; L262-L318 HydrophobicContact CB-CD2 3.61Å; L262-L318 HydrophobicContact CB-CG 3.69Å; L262-L318 HydrophobicContact CD1-CD1 4.42Å; L262-L318 HydrophobicContact CD1-CG 4.17Å; L262-L318 HydrophobicContact CD2-CD1 4.3Å; L262-L318 HydrophobicContact CG-CD1 4.46Å; L262-L318 HydrophobicContact CG-CG 4.43Å; L263-L318 HydrophobicContact CD2-CD2 3.66Å; L263-L318 HydrophobicContact CG-CD2 4.03Å; K314-L318 WeakPolarHBondContact O-CB 3.4Å; K314-L318 PolarHBondContact O-N 2.93Å; M316-L318 VanDerWaalsContact C-N 3.3Å; M316-L318 PolarHBondContact O-N 3.07Å; L318-M320 VanDerWaalsContact C-N 3.34Å; L318-M320 PolarHBondContact O-N 3.32Å; L318-I321 PolarHBondContact O-N 2.93Å; L318-A322 WeakPolarHBondContact O-CB 3.31Å; L318-A322 PolarHBondContact O-N 2.97Å
319C83.2Confident79.9Confident28 Ų2868.6 Ų68.619%0.18938%0.376CS..Hα-helixtrans-63.8-37.1174.9-74.70000112.2D315 M316 I317 A322 S323D315-C319 VanDerWaalsContact O-CB 3.24Å; D315-C319 WeakPolarHBondContact O-CB 3.18Å; D315-C319 PolarHBondContact O-N 2.82Å; D315-C319 PolarHBondContact O-SG 2.86Å; M316-C319 CarbonylContact O-C 3.57Å; M316-C319 WeakPolarHBondContact O-CB 3.4Å; M316-C319 PolarHBondContact O-N 2.97Å; I317-C319 VanDerWaalsContact C-N 3.33Å; I317-C319 PolarHBondContact O-N 3.14Å; C319-A322 PolarHBondContact O-N 3.38Å; C319-S323 WeakPolarHBondContact O-CB 3.08Å; C319-S323 PolarHBondContact O-N 3.45Å
320M87.3Confident82Confident120 Ų12059.2 Ų59.259%0.59134%0.335SS*.Hα-helixtrans-65.9-43.9175.7-72.2175.571.800111.3M316 I317 L318 S323 A324M316-M320 HydrophobicContact CG-SD 4.36Å; M316-M320 VanDerWaalsContact O-CG 3.29Å; M316-M320 WeakPolarHBondContact O-CG 3.45Å; M316-M320 PolarHBondContact O-N 3.31Å; I317-M320 WeakPolarHBondContact O-CB 3.4Å; I317-M320 PolarHBondContact O-N 3.41Å; I317-M320 VanDerWaalsContact O-N 3.17Å; L318-M320 VanDerWaalsContact C-N 3.34Å; L318-M320 PolarHBondContact O-N 3.32Å; M320-S323 PolarHBondContact O-N 2.96Å; M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 3.32Å
321I88.2Confident84.1Confident91 Ų9152.3 Ų52.347%0.46730%0.299SS..Hα-helixtrans-64-45.6175.2-65.4167.7000110I317 L318 S323 A324 C325I317-I321 HydrophobicContact CG2-CD1 3.98Å; I317-I321 WeakPolarHBondContact O-CG1 3.15Å; I317-I321 PolarHBondContact O-N 3.05Å; L318-I321 PolarHBondContact O-N 2.93Å; I321-S323 VanDerWaalsContact C-N 3.32Å; I321-S323 PolarHBondContact O-N 3.17Å; I321-A324 PolarHBondContact O-N 2.99Å; I321-C325 WeakPolarHBondContact O-CB 3.21Å; I321-C325 PolarHBondContact O-N 2.98Å; I321-C325 PolarHBondContact O-SG 3.44Å; I321-C325 VanDerWaalsContact O-SG 3.4Å
322A86.6Confident85.7Confident0 Ų053.5 Ų53.50%031%0.305CS..Hα-helixtrans-57.2-45.2175.800000111.8Y255 F258 K259 L262 L318 C319 S326Y255-A322 HydrophobicContact CD2-CB 4.33Å; Y255-A322 HydrophobicContact CE2-CB 4.31Å; F258-A322 HydrophobicContact CB-CB 4.24Å; K259-A322 HydrophobicContact CB-CB 4.45Å; L262-A322 HydrophobicContact CD1-CB 3.82Å; L318-A322 WeakPolarHBondContact O-CB 3.31Å; L318-A322 PolarHBondContact O-N 2.97Å; C319-A322 PolarHBondContact O-N 3.38Å; A322-S326 WeakPolarHBondContact O-CB 3.3Å; A322-S326 PolarHBondContact O-N 3.4Å
323S86.7Confident87.1Confident54 Ų5454.3 Ų54.338%0.37831%0.312SS..Hα-helixtrans-63.5-45.5177-177.10000111.7C319 M320 I321 S326 K327C319-S323 WeakPolarHBondContact O-CB 3.08Å; C319-S323 PolarHBondContact O-N 3.45Å; M320-S323 PolarHBondContact O-N 2.96Å; I321-S323 VanDerWaalsContact C-N 3.32Å; I321-S323 PolarHBondContact O-N 3.17Å; S323-S326 PolarHBondContact O-N 2.94Å; S323-K327 VanDerWaalsContact O-CB 3.23Å; S323-K327 WeakPolarHBondContact O-CB 3.2Å; S323-K327 PolarHBondContact O-N 3.47Å
324A90.1Very high88.1Confident62 Ų6252.4 Ų52.451%0.51230%0.297SS..Hα-helixtrans-63.2-46.417800000112.3M320 I321 K327 A328M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 3.32Å; I321-A324 PolarHBondContact O-N 2.99Å; A324-K327 PolarHBondContact O-N 3.44Å; A324-A328 WeakPolarHBondContact O-CB 3.35Å; A324-A328 PolarHBondContact O-N 3.27Å
325C91.6Very high89.1Confident52 Ų5246.4 Ų46.435%0.35127%0.27SS..Hα-helixtrans-63.3-46.2176-70.90000111.6F258 I321 K327 A328 I329F258-C325 HydrophobicContact CD1-CB 4.27Å; F258-C325 HydrophobicContact CE1-CB 4.13Å; I321-C325 WeakPolarHBondContact O-CB 3.21Å; I321-C325 PolarHBondContact O-N 2.98Å; I321-C325 PolarHBondContact O-SG 3.44Å; I321-C325 VanDerWaalsContact O-SG 3.4Å; C325-K327 VanDerWaalsContact C-N 3.34Å; C325-K327 PolarHBondContact O-N 2.94Å; C325-A328 PolarHBondContact O-N 3.25Å; C325-I329 VanDerWaalsContact O-CG1 3.31Å; C325-I329 WeakPolarHBondContact O-CG1 3Å; C325-I329 PolarHBondContact O-N 3.02Å
326S91.6Very high90Very high0 Ų046.3 Ų46.30%027%0.271CS..Hα-helixtrans-58.3-47.6176.7178.90000111.5N251 V254 Y255 A322 S323 A328 I329 A330N251-S326 PolarHBondContact O-OG 3.24Å; N251-S326 PolarHBondContact OD1-OG 3.31Å; V254-S326 VanDerWaalsContact CB-OG 3.31Å; V254-S326 WeakPolarHBondContact CB-OG 3.2Å; V254-S326 WeakPolarHBondContact CG1-OG 3.32Å; Y255-S326 PolarHBondContact N-OG 2.89Å; A322-S326 WeakPolarHBondContact O-CB 3.3Å; A322-S326 PolarHBondContact O-N 3.4Å; S323-S326 PolarHBondContact O-N 2.94Å; S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.46Å; S326-I329 PolarHBondContact O-N 3.43Å; S326-A330 WeakPolarHBondContact O-CB 3.48Å; S326-A330 PolarHBondContact O-N 3.02Å
327K91.3Very high90.7Very high65 Ų6541.6 Ų41.628%0.28325%0.248SC..Hα-helixtrans-63.9-39.7-179.9-168.867.1-174.3168.10111.6E247 N251 S323 A324 C325 A330 I331E247-K327 WeakPolarHBondContact OE1-CE 3.26Å; E247-K327 IonicContact OE1-NZ 3.18Å; E247-K327 PolarHBondContact OE1-NZ 2.9Å; N251-K327 WeakPolarHBondContact OD1-CA 3.42Å; N251-K327 PolarHBondContact OD1-N 3.05Å; S323-K327 VanDerWaalsContact O-CB 3.23Å; S323-K327 WeakPolarHBondContact O-CB 3.2Å; S323-K327 PolarHBondContact O-N 3.47Å; A324-K327 PolarHBondContact O-N 3.44Å; C325-K327 VanDerWaalsContact C-N 3.34Å; C325-K327 PolarHBondContact O-N 2.94Å; K327-A330 PolarHBondContact O-N 3.29Å; K327-I331 HydrophobicContact CD-CD1 4.33Å; K327-I331 HydrophobicContact CG-CD1 3.86Å; K327-I331 HydrophobicContact CG-CG1 4.42Å; K327-I331 WeakPolarHBondContact O-CB 3.41Å; K327-I331 WeakPolarHBondContact O-CG1 3.27Å; K327-I331 PolarHBondContact O-N 2.88Å
328A93.5Very high91.1Very high35 Ų3537.8 Ų37.829%0.28923%0.228SC..Hα-helixtrans-63.3-43.7174.800000112.2A324 C325 S326 T332 Y378A324-A328 WeakPolarHBondContact O-CB 3.35Å; A324-A328 PolarHBondContact O-N 3.27Å; C325-A328 PolarHBondContact O-N 3.25Å; S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.46Å; A328-T332 VanDerWaalsContact O-CB 3.24Å; A328-T332 WeakPolarHBondContact O-CB 3.17Å; A328-T332 PolarHBondContact O-N 2.95Å; A328-T332 PolarHBondContact O-OG1 3.25Å; A328-Y378 HydrophobicContact CB-CE1 4.26Å; A328-Y378 PolarHBondContact O-OH 3.3Å
329I94Very high91.6Very high71 Ų7136.2 Ų36.236%0.36422%0.22SC..Hα-helixtrans-63.9-46.8176.7-67.9165.4000110.4V254 F258 C325 S326 T332 A333V254-I329 HydrophobicContact CG1-CB 4.33Å; V254-I329 HydrophobicContact CG1-CD1 4.1Å; V254-I329 HydrophobicContact CG1-CG2 4.31Å; V254-I329 HydrophobicContact CG2-CG2 4.44Å; F258-I329 HydrophobicContact CD2-CD1 4.44Å; F258-I329 HydrophobicContact CE2-CD1 3.41Å; F258-I329 VanDerWaalsContact CE2-CD1 3.41Å; F258-I329 HydrophobicContact CZ-CD1 3.49Å; F258-I329 VanDerWaalsContact CZ-CD1 3.49Å; C325-I329 VanDerWaalsContact O-CG1 3.31Å; C325-I329 WeakPolarHBondContact O-CG1 3Å; C325-I329 PolarHBondContact O-N 3.02Å; S326-I329 PolarHBondContact O-N 3.43Å; I329-T332 PolarHBondContact O-N 3.44Å; I329-A333 WeakPolarHBondContact O-CB 3.27Å; I329-A333 PolarHBondContact O-N 3.45Å
330A93.9Very high92.1Very high0 Ų035 Ų350%021%0.212CC..Hα-helixtrans-63.3-46.8-179.600000112.2E247 L250 N251 S326 K327 T332 A333 L334E247-A330 HydrophobicContact CG-CB 4.42Å; L250-A330 HydrophobicContact CB-CB 4.41Å; L250-A330 HydrophobicContact CD2-CB 4.32Å; L250-A330 HydrophobicContact CG-CB 4.31Å; N251-A330 HydrophobicContact CB-CB 3.93Å; S326-A330 WeakPolarHBondContact O-CB 3.48Å; S326-A330 PolarHBondContact O-N 3.02Å; K327-A330 PolarHBondContact O-N 3.29Å; A330-T332 VanDerWaalsContact C-N 3.31Å; A330-T332 PolarHBondContact O-N 3.48Å; A330-A333 PolarHBondContact O-N 3.06Å; A330-L334 VanDerWaalsContact O-CD1 3.28Å; A330-L334 WeakPolarHBondContact O-CD1 3.36Å; A330-L334 PolarHBondContact O-N 3.23Å
331I92.2Very high92.4Very high3 Ų332 Ų322%0.01519%0.194CC..Hα-helixtrans-59.3-44.6174.5-70.6168.3000110K327 Y335 Y378 Q381K327-I331 HydrophobicContact CD-CD1 4.33Å; K327-I331 HydrophobicContact CG-CD1 3.86Å; K327-I331 HydrophobicContact CG-CG1 4.42Å; K327-I331 WeakPolarHBondContact O-CB 3.41Å; K327-I331 WeakPolarHBondContact O-CG1 3.27Å; K327-I331 PolarHBondContact O-N 2.88Å; I331-Y335 HydrophobicContact CG2-CD2 4.29Å; I331-Y335 WeakPolarHBondContact O-CA 3.5Å; I331-Y335 VanDerWaalsContact O-CB 3.22Å; I331-Y335 WeakPolarHBondContact O-CB 3.36Å; I331-Y335 PolarHBondContact O-N 3.32Å; I331-Y378 HydrophobicContact CB-CE1 4.48Å; I331-Y378 HydrophobicContact CD1-CE1 4.24Å; I331-Y378 HydrophobicContact CG2-CE1 4.25Å; I331-Q381 HydrophobicContact CD1-CG 4.37Å
332T94.4Very high92.7Very high54 Ų5428 Ų2833%0.33117%0.174SC..Hα-helixtrans-66-44.6-178.5-58.90000112.5A328 I329 A330 L334 Y371 M374 Y378A328-T332 VanDerWaalsContact O-CB 3.24Å; A328-T332 WeakPolarHBondContact O-CB 3.17Å; A328-T332 PolarHBondContact O-N 2.95Å; A328-T332 PolarHBondContact O-OG1 3.25Å; I329-T332 PolarHBondContact O-N 3.44Å; A330-T332 VanDerWaalsContact C-N 3.31Å; A330-T332 PolarHBondContact O-N 3.48Å; T332-L334 PolarHBondContact O-N 3.05Å; T332-Y371 HydrophobicContact CG2-CE1 4.31Å; T332-Y371 VanDerWaalsContact O-CE1 3.27Å; T332-Y371 WeakPolarHBondContact O-CE1 3.42Å; T332-Y371 PolarHBondContact O-OH 3.21Å; T332-M374 HydrophobicContact CG2-CE 3.73Å; T332-M374 WeakPolarHBondContact OG1-CE 3.44Å; T332-Y378 PolarHBondContact OG1-OH 3.43Å
333A94.8Very high93Very high58 Ų5828 Ų2848%0.47917%0.174SC..Hα-helixtrans-65-40.4-179.900000111.7L250 I329 A330L250-A333 HydrophobicContact CD2-CB 3.84Å; I329-A333 WeakPolarHBondContact O-CB 3.27Å; I329-A333 PolarHBondContact O-N 3.45Å; A330-A333 PolarHBondContact O-N 3.06Å
334L94.1Very high93.3Very high23 Ų2325.8 Ų25.812%0.1216%0.157CC..Hα-helixtrans-96-5.2-177.8-71.9101.5000114.6F243 L246 E247 L250 A330 T332 P336 H337F243-L334 VanDerWaalsContact O-CD2 3.22Å; F243-L334 WeakPolarHBondContact O-CD2 3.43Å; L246-L334 HydrophobicContact CB-CD2 3.62Å; E247-L334 HydrophobicContact CB-CD2 4.4Å; L250-L334 HydrophobicContact CB-CD1 4.02Å; L250-L334 HydrophobicContact CD2-CD1 3.26Å; L250-L334 HydrophobicContact CG-CD1 4.26Å; A330-L334 VanDerWaalsContact O-CD1 3.28Å; A330-L334 WeakPolarHBondContact O-CD1 3.36Å; A330-L334 PolarHBondContact O-N 3.23Å; T332-L334 PolarHBondContact O-N 3.05Å; L334-P336 VanDerWaalsContact C-N 3.27Å; L334-P336 WeakPolarHBondContact O-CD 3.43Å; L334-H337 WeakPolarHBondContact O-CB 3.38Å; L334-H337 PolarHBondContact O-N 3.4Å; L334-H337 PolarHBondContact O-ND1 3.4Å
335Y94.6Very high93.4Very high1 Ų123.3 Ų23.30%0.00414%0.135CC..Hα-helixtrans-48.3-38.6-177.6-161.8-99.1000115.4Q34 I331 H337 E338 V339 L370 Y371 R372 G373 M374 H377Q34-Y335 PolarHBondContact NE2-OH 3.05Å; I331-Y335 HydrophobicContact CG2-CD2 4.29Å; I331-Y335 WeakPolarHBondContact O-CA 3.5Å; I331-Y335 VanDerWaalsContact O-CB 3.22Å; I331-Y335 WeakPolarHBondContact O-CB 3.36Å; I331-Y335 PolarHBondContact O-N 3.32Å; Y335-H337 PolarHBondContact O-N 3.03Å; Y335-E338 VanDerWaalsContact CE2-OE2 3.29Å; Y335-E338 WeakPolarHBondContact CE2-OE2 3.21Å; Y335-E338 WeakPolarHBondContact O-CB 3.37Å; Y335-E338 PolarHBondContact O-N 3.46Å; Y335-V339 HydrophobicContact CD1-CG2 4.11Å; Y335-V339 HydrophobicContact CE1-CG2 3.69Å; Y335-V339 PolarHBondContact O-N 3.05Å; Y335-L370 WeakPolarHBondContact CD1-O 2.88Å; Y335-Y371 HydrophobicContact CD1-CD1 4.02Å; Y335-Y371 HydrophobicContact CG-CD1 4.33Å; Y335-R372 PolarHBondContact OH-O 2.61Å; Y335-R372 VanDerWaalsContact OH-O 3.05Å; Y335-G373 WeakPolarHBondContact OH-CA 3.43Å; Y335-G373 PolarHBondContact OH-O 3.01Å; Y335-M374 HydrophobicContact CD1-CB 4.19Å; Y335-M374 HydrophobicContact CD1-CG 4.48Å; Y335-M374 HydrophobicContact CD2-CB 4.3Å; Y335-M374 HydrophobicContact CD2-CG 4.05Å; Y335-M374 HydrophobicContact CE1-CB 3.83Å; Y335-M374 HydrophobicContact CE2-CB 3.98Å; Y335-M374 HydrophobicContact CE2-CG 4.12Å; Y335-M374 HydrophobicContact CG-CB 4.4Å; Y335-M374 HydrophobicContact CG-CG 4.23Å; Y335-M374 VanDerWaalsContact CZ-CA 3.41Å; Y335-M374 WeakPolarHBondContact OH-CA 3.29Å; Y335-M374 PolarHBondContact OH-N 3.16Å; Y335-H377 HydrophobicContact CE2-CB 3.88Å
336P94.9Very high93.3Very high20 Ų2021.4 Ų21.413%0.1312%0.121CC..Hα-helixtrans-57.6-24.9179.1-2534.6000114.1L334 E338 A340 L358 L370 Y371L334-P336 VanDerWaalsContact C-N 3.27Å; L334-P336 WeakPolarHBondContact O-CD 3.43Å; P336-E338 VanDerWaalsContact C-N 3.31Å; P336-E338 PolarHBondContact O-N 2.87Å; P336-A340 WeakPolarHBondContact O-CB 3.4Å; P336-A340 PolarHBondContact O-N 3.49Å; P336-L358 HydrophobicContact CB-CD1 3.49Å; P336-L358 VanDerWaalsContact CB-CD1 3.49Å; P336-L370 HydrophobicContact CB-CB 4.48Å; P336-Y371 HydrophobicContact CG-CE2 4.33Å
337H93.9Very high92.9Very high7 Ų726.8 Ų26.83%0.03215%0.146CC..Hα-helixtrans-66.1-34.417593.8-94000112.2A240 F243 G244 E247 L334 Y335 R341 F354A240-H337 PolarHBondContact O-CD2 3.32Å; F243-H337 HydrophobicContact CB-CB 3.92Å; G244-H337 VanDerWaalsContact CA-NE2 3.25Å; G244-H337 WeakPolarHBondContact CA-NE2 3.4Å; E247-H337 IonicContact OE2-CE1 3.36Å; L334-H337 WeakPolarHBondContact O-CB 3.38Å; L334-H337 PolarHBondContact O-N 3.4Å; L334-H337 PolarHBondContact O-ND1 3.4Å; Y335-H337 PolarHBondContact O-N 3.03Å; H337-R341 PolarHBondContact CD2-NH2 3.47Å; H337-R341 PolarHBondContact NE2-NH2 2.86Å; H337-R341 WeakPolarHBondContact O-CB 2.87Å; H337-R341 PolarHBondContact O-N 3.23Å; H337-F354 HydrophobicContact CB-CE2 4.01Å; H337-F354 HydrophobicContact CB-CZ 4.04Å
338E93.1Very high92.1Very high17 Ų1725.9 Ų25.98%0.07915%0.146CC..Hα-helixtrans-69.2-44.5178.9-64.4-160.6152.700111.1K30 Q34 Y335 P336 R341 T342 H377K30-E338 WeakPolarHBondContact CE-OE2 3.34Å; K30-E338 IonicContact NZ-OE1 2.62Å; K30-E338 PolarHBondContact NZ-OE1 3.39Å; K30-E338 IonicContact NZ-OE2 3.52Å; K30-E338 PolarHBondContact NZ-OE2 3.15Å; Q34-E338 PolarHBondContact NE2-OE2 3.34Å; Y335-E338 VanDerWaalsContact CE2-OE2 3.29Å; Y335-E338 WeakPolarHBondContact CE2-OE2 3.21Å; Y335-E338 WeakPolarHBondContact O-CB 3.37Å; Y335-E338 PolarHBondContact O-N 3.46Å; P336-E338 VanDerWaalsContact C-N 3.31Å; P336-E338 PolarHBondContact O-N 2.87Å; E338-R341 WeakPolarHBondContact O-CB 3.37Å; E338-R341 PolarHBondContact O-N 2.97Å; E338-T342 PolarHBondContact O-N 3.02Å; E338-T342 PolarHBondContact O-OG1 3.04Å; E338-H377 IonicContact OE1-CE1 3.46Å; E338-H377 PolarHBondContact OE1-CE1 2.92Å; E338-H377 IonicContact OE1-NE2 3.62Å; E338-H377 PolarHBondContact OE1-NE2 3.17Å
339V93.7Very high91.1Very high0 Ų026.1 Ų26.10%015%0.152CC..Hα-helixtrans-60.3-49175.3178.10000109.5Q34 Y335 R341 T342 R343 L370Q34-V339 HydrophobicContact CG-CG2 4.21Å; Y335-V339 HydrophobicContact CD1-CG2 4.11Å; Y335-V339 HydrophobicContact CE1-CG2 3.69Å; Y335-V339 PolarHBondContact O-N 3.05Å; V339-R341 VanDerWaalsContact C-N 3.29Å; V339-R341 PolarHBondContact O-N 3.37Å; V339-T342 PolarHBondContact O-N 3.29Å; V339-T342 VanDerWaalsContact O-N 3.16Å; V339-R343 HydrophobicContact CG1-CG 4.21Å; V339-R343 WeakPolarHBondContact O-CG 3.39Å; V339-R343 PolarHBondContact O-N 2.98Å; V339-L370 WeakPolarHBondContact CG2-O 3.17Å
340A94.1Very high90.6Very high2 Ų227 Ų272%0.01716%0.155CC..Hα-helixtrans-58.8-40177.300000112.4P336 R343 L344 F354 T357P336-A340 WeakPolarHBondContact O-CB 3.4Å; P336-A340 PolarHBondContact O-N 3.49Å; A340-R343 PolarHBondContact O-N 2.65Å; A340-L344 VanDerWaalsContact O-CB 3.3Å; A340-L344 WeakPolarHBondContact O-CB 3.49Å; A340-L344 WeakPolarHBondContact O-CD1 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.24Å; A340-L344 PolarHBondContact O-N 3.47Å; A340-F354 HydrophobicContact CB-CD2 3.8Å; A340-F354 HydrophobicContact CB-CE2 3.7Å; A340-T357 HydrophobicContact CB-CG2 4.18Å
341R94.2Very high90.1Very high57 Ų5727.4 Ų27.422%0.21516%0.156CC..Hα-helixtrans-60.2-48.2175.2-172.6-174.8-66.6147.710.4111.4A240 S241 H337 E338 V339 L344 R345A240-R341 HydrophobicContact CB-CB 3.63Å; A240-R341 HydrophobicContact CB-CG 4.21Å; A240-R341 PolarHBondContact O-NH2 3Å; S241-R341 VanDerWaalsContact CA-NH2 3.34Å; H337-R341 PolarHBondContact CD2-NH2 3.47Å; H337-R341 PolarHBondContact NE2-NH2 2.86Å; H337-R341 WeakPolarHBondContact O-CB 2.87Å; H337-R341 PolarHBondContact O-N 3.23Å; E338-R341 WeakPolarHBondContact O-CB 3.37Å; E338-R341 PolarHBondContact O-N 2.97Å; V339-R341 VanDerWaalsContact C-N 3.29Å; V339-R341 PolarHBondContact O-N 3.37Å; R341-L344 PolarHBondContact O-N 2.87Å; R341-R345 WeakPolarHBondContact O-CG 3.48Å; R341-R345 PolarHBondContact O-N 3.25Å
342T93.7Very high89.5Confident7 Ų735.9 Ų35.94%0.04319%0.188CC..Hα-helixtrans-63-47.2179.5-65.20000111.1V31 Q34 L207 E338 V339 L344 R345 E346V31-T342 HydrophobicContact CG1-CG2 4Å; V31-T342 WeakPolarHBondContact O-CG2 3.33Å; Q34-T342 HydrophobicContact CB-CG2 3.86Å; Q34-T342 PolarHBondContact OE1-OG1 3.26Å; L207-T342 HydrophobicContact CD1-CG2 4.37Å; L207-T342 HydrophobicContact CD2-CG2 3.86Å; E338-T342 PolarHBondContact O-N 3.02Å; E338-T342 PolarHBondContact O-OG1 3.04Å; V339-T342 PolarHBondContact O-N 3.29Å; V339-T342 VanDerWaalsContact O-N 3.16Å; T342-L344 PolarHBondContact O-N 2.64Å; T342-R345 PolarHBondContact O-N 3.34Å; T342-R345 VanDerWaalsContact O-N 3.13Å; T342-E346 PolarHBondContact O-N 3.23Å
343R92.4Very high89.2Confident0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-61.5-43177.5-64-51.3-18099-0.3113Q34 S35 S36 V339 A340 R345 E346 Y351 T357 V361 E365Q34-R343 WeakPolarHBondContact O-CD 2.92Å; Q34-R343 PolarHBondContact O-NE 3Å; S35-R343 PolarHBondContact O-NH2 2.9Å; S36-R343 VanDerWaalsContact CB-NH1 3.34Å; V339-R343 HydrophobicContact CG1-CG 4.21Å; V339-R343 WeakPolarHBondContact O-CG 3.39Å; V339-R343 PolarHBondContact O-N 2.98Å; A340-R343 PolarHBondContact O-N 2.65Å; R343-R345 PolarHBondContact O-N 3.36Å; R343-E346 WeakPolarHBondContact CD-OE1 3.33Å; R343-E346 IonicContact NE-OE1 2.68Å; R343-E346 WeakPolarHBondContact O-CB 3.47Å; R343-E346 PolarHBondContact O-N 2.9Å; R343-Y351 HydrophobicContact CB-CD1 4.34Å; R343-Y351 HydrophobicContact CB-CD2 3.86Å; R343-Y351 HydrophobicContact CB-CE1 4.33Å; R343-Y351 HydrophobicContact CB-CE2 3.83Å; R343-Y351 HydrophobicContact CB-CG 4.1Å; R343-Y351 HydrophobicContact CG-CE2 4.32Å; R343-Y351 PolarHBondContact NH1-OH 3.14Å; R343-Y351 WeakPolarHBondContact O-CD2 3.42Å; R343-T357 HydrophobicContact CB-CG2 3.72Å; R343-T357 HydrophobicContact CG-CG2 4.41Å; R343-V361 HydrophobicContact CG-CG2 4.15Å; R343-E365 IonicContact CZ-OE1 3.7Å; R343-E365 IonicContact CZ-OE2 3.84Å; R343-E365 IonicContact NH1-OE1 2.76Å; R343-E365 PolarHBondContact NH1-OE1 2.86Å; R343-E365 VanDerWaalsContact NH2-CD 3.29Å; R343-E365 IonicContact NH2-OE1 2.74Å; R343-E365 PolarHBondContact NH2-OE1 3.41Å; R343-E365 IonicContact NH2-OE2 3.74Å; R343-E365 PolarHBondContact NH2-OE2 3.45Å
344L92.8Very high89.1Confident7 Ų732.5 Ų32.54%0.03717%0.165CC..Hα-helixtrans-62.4-23.2177.3-77.8165.3000113.1R236 A240 A340 R341 T342 T357R236-L344 WeakPolarHBondContact CB-O 3.44Å; A240-L344 HydrophobicContact CB-CD1 4.25Å; A340-L344 VanDerWaalsContact O-CB 3.3Å; A340-L344 WeakPolarHBondContact O-CB 3.49Å; A340-L344 WeakPolarHBondContact O-CD1 3.43Å; A340-L344 WeakPolarHBondContact O-CG 3.24Å; A340-L344 PolarHBondContact O-N 3.47Å; R341-L344 PolarHBondContact O-N 2.87Å; T342-L344 PolarHBondContact O-N 2.64Å; L344-T357 WeakPolarHBondContact CD2-OG1 3.31Å; L344-T357 HydrophobicContact CG-CG2 4.38Å
345R93.1Very high89.1Confident10 Ų1038.4 Ų38.44%0.03819%0.19CC..THydrogen-bonded Turntrans-93.5-3.7178.1-66.3178.4174.4170.61112.7N196 W199 F200 T203 R204 R341 T342 R343N196-R345 PolarHBondContact OD1-NH2 2.71Å; W199-R345 PolarHBondContact O-NH1 3.49Å; F200-R345 HydrophobicContact CD2-CB 4.31Å; F200-R345 HydrophobicContact CD2-CG 3.92Å; F200-R345 HydrophobicContact CE2-CB 4.4Å; F200-R345 HydrophobicContact CE2-CG 4.4Å; T203-R345 HydrophobicContact CG2-CB 3.86Å; T203-R345 PolarHBondContact OG1-NH1 3.35Å; R204-R345 WeakPolarHBondContact CD-O 3.17Å; R204-R345 PolarHBondContact NH1-O 2.56Å; R341-R345 WeakPolarHBondContact O-CG 3.48Å; R341-R345 PolarHBondContact O-N 3.25Å; T342-R345 PolarHBondContact O-N 3.34Å; T342-R345 VanDerWaalsContact O-N 3.13Å; R343-R345 PolarHBondContact O-N 3.36Å
346E90.1Very high89.1Confident13 Ų1346.1 Ų46.16%0.06122%0.219CC..SBendtrans-64.4158.2175.3-73.4179.7-168.100113S35 S36 R204 L207 T342 R343 T348S35-E346 VanDerWaalsContact C-OE1 3.3Å; S35-E346 WeakPolarHBondContact CA-OE1 3.32Å; S35-E346 WeakPolarHBondContact CB-OE1 3.48Å; S36-E346 VanDerWaalsContact CB-OE2 3.3Å; S36-E346 WeakPolarHBondContact CB-OE2 3.46Å; S36-E346 PolarHBondContact N-OE1 3.27Å; S36-E346 PolarHBondContact OG-OE2 3.37Å; R204-E346 PolarHBondContact NH1-O 2.97Å; L207-E346 HydrophobicContact CD1-CG 3.8Å; L207-E346 HydrophobicContact CD2-CG 4.5Å; T342-E346 PolarHBondContact O-N 3.23Å; R343-E346 WeakPolarHBondContact CD-OE1 3.33Å; R343-E346 IonicContact NE-OE1 2.68Å; R343-E346 WeakPolarHBondContact O-CB 3.47Å; R343-E346 PolarHBondContact O-N 2.9Å; E346-T348 VanDerWaalsContact CB-OG1 3.31Å; E346-T348 WeakPolarHBondContact CB-OG1 3.3Å; E346-T348 PolarHBondContact O-N 3.11Å; E346-T348 PolarHBondContact OE2-OG1 2.75Å; E346-T348 VanDerWaalsContact OE2-OG1 3.05Å
347E83Confident89Confident112 Ų11245.2 Ų45.252%0.52321%0.213SC..SBendtrans-71.3-19.2175.4-165.7156.6-15200112.6R204 G349R204-E347 VanDerWaalsContact NH2-CD 3.28Å; R204-E347 IonicContact NH2-OE1 3.06Å; R204-E347 IonicContact NH2-OE2 3.83Å; E347-G349 PolarHBondContact O-N 3.3Å
348T74.2Confident89Confident46 Ų4647.2 Ų47.228%0.28222%0.224SC..  trans-68.9103.317552.20000108.6E346 Q350E346-T348 VanDerWaalsContact CB-OG1 3.31Å; E346-T348 WeakPolarHBondContact CB-OG1 3.3Å; E346-T348 PolarHBondContact O-N 3.11Å; E346-T348 PolarHBondContact OE2-OG1 2.75Å; E346-T348 VanDerWaalsContact OE2-OG1 3.05Å; T348-Q350 PolarHBondContact O-N 3.17Å
349G72.9Confident89.1Confident41 Ų4152.7 Ų52.742%0.42325%0.249SC..THydrogen-bonded Turntrans-63.21617900000115.9E347E347-G349 PolarHBondContact O-N 3.3Å
350Q81.9Confident89Confident90 Ų9054.5 Ų54.542%0.42126%0.259SS..THydrogen-bonded Turntrans-74.5-26.1-179.1-62.6-178.7-10.300112.3T348T348-Q350 PolarHBondContact O-N 3.17Å
351Y85.2Confident88.9Confident7 Ų754.5 Ų54.53%0.02726%0.258CS..  trans-101.3103.2-175.4-58.2-64000111.3R343 T357 L360 V361R343-Y351 HydrophobicContact CB-CD1 4.34Å; R343-Y351 HydrophobicContact CB-CD2 3.86Å; R343-Y351 HydrophobicContact CB-CE1 4.33Å; R343-Y351 HydrophobicContact CB-CE2 3.83Å; R343-Y351 HydrophobicContact CB-CG 4.1Å; R343-Y351 HydrophobicContact CG-CE2 4.32Å; R343-Y351 PolarHBondContact NH1-OH 3.14Å; R343-Y351 WeakPolarHBondContact O-CD2 3.42Å; Y351-T357 WeakPolarHBondContact CB-OG1 3.49Å; Y351-T357 HydrophobicContact CD1-CG2 3.59Å; Y351-T357 HydrophobicContact CE1-CG2 4.1Å; Y351-T357 HydrophobicContact CG-CG2 4.14Å; Y351-L360 HydrophobicContact CD1-CD2 4.07Å; Y351-L360 HydrophobicContact CE1-CD2 3.75Å; Y351-L360 HydrophobicContact CE1-CG 4.41Å; Y351-V361 HydrophobicContact CE1-CG2 4.15Å
352R78.8Confident88.8Confident181 Ų18153.1 Ų53.168%0.68326%0.262SS*.  trans-107-11.7-175.9-68.3-172177-173-1115.6
353G88.8Confident88.7Confident25 Ų2560.6 Ų60.626%0.25829%0.294SS..SBendtrans-163.5155.8-179.600000113.2R356 T357G353-R356 PolarHBondContact O-N 3.11Å; G353-T357 WeakPolarHBondContact O-CB 3.06Å; G353-T357 PolarHBondContact O-N 3Å; G353-T357 PolarHBondContact O-OG1 3.35Å
354F92.8Very high88.6Confident17 Ų1765.6 Ų65.68%0.07532%0.317CS..Hα-helixtrans-56-60.7-172.1-179.3-110.7000114.3A240 F243 H337 A340 R356 T357 L358A240-F354 HydrophobicContact CB-CD2 3.62Å; A240-F354 HydrophobicContact CB-CE2 3.79Å; F243-F354 HydrophobicContact CB-CZ 4.13Å; F243-F354 HydrophobicContact CD1-CE1 4.06Å; F243-F354 HydrophobicContact CD1-CZ 4.15Å; F243-F354 AromaticContact CD2-CD1 3.94Å; F243-F354 HydrophobicContact CD2-CD1 3.94Å; F243-F354 AromaticContact CD2-CE1 3.57Å; F243-F354 HydrophobicContact CD2-CE1 3.57Å; F243-F354 HydrophobicContact CD2-CE2 4.43Å; F243-F354 AromaticContact CD2-CZ 3.84Å; F243-F354 HydrophobicContact CD2-CZ 3.84Å; F243-F354 HydrophobicContact CE1-CE1 4.05Å; F243-F354 AromaticContact CE2-CD1 3.74Å; F243-F354 HydrophobicContact CE2-CD1 3.74Å; F243-F354 AromaticContact CE2-CE1 3.57Å; F243-F354 HydrophobicContact CE2-CE1 3.57Å; F243-F354 HydrophobicContact CE2-CZ 4.31Å; F243-F354 AromaticContact CG-CE1 3.83Å; F243-F354 HydrophobicContact CG-CE1 3.83Å; F243-F354 AromaticContact CG-CZ 3.76Å; F243-F354 HydrophobicContact CG-CZ 3.76Å; F243-F354 HydrophobicContact CZ-CD1 4.27Å; F243-F354 AromaticContact CZ-CE1 3.82Å; F243-F354 HydrophobicContact CZ-CE1 3.82Å; H337-F354 HydrophobicContact CB-CE2 4.01Å; H337-F354 HydrophobicContact CB-CZ 4.04Å; A340-F354 HydrophobicContact CB-CD2 3.8Å; A340-F354 HydrophobicContact CB-CE2 3.7Å; F354-R356 VanDerWaalsContact C-N 3.31Å; F354-R356 PolarHBondContact O-N 3.43Å; F354-T357 PolarHBondContact O-N 2.88Å; F354-L358 PolarHBondContact O-N 3.33Å
355F94Very high88.4Confident147 Ų14766.9 Ų66.965%0.64532%0.323SS*.Hα-helixtrans-65.2-35.7-178.4-64.5-71.2000112.5F243 L358 H359F243-F355 HydrophobicContact CE2-CZ 4.24Å; F243-F355 HydrophobicContact CZ-CE1 4.33Å; F243-F355 AromaticContact CZ-CZ 3.79Å; F243-F355 HydrophobicContact CZ-CZ 3.79Å; F355-L358 PolarHBondContact O-N 3.16Å; F355-H359 VanDerWaalsContact O-CB 3.3Å; F355-H359 WeakPolarHBondContact O-CB 3.39Å; F355-H359 PolarHBondContact O-N 3.44Å
356R93.5Very high88.2Confident163 Ų16367.8 Ų67.862%0.61534%0.335SS*.Hα-helixtrans-63.7-43.4174.6-177.5175.7176174.50.8111.4G353 F354 L360G353-R356 PolarHBondContact O-N 3.11Å; F354-R356 VanDerWaalsContact C-N 3.31Å; F354-R356 PolarHBondContact O-N 3.43Å; R356-L360 WeakPolarHBondContact O-CB 3.48Å; R356-L360 PolarHBondContact O-N 3.15Å
357T93.6Very high88.2Confident0 Ų073.5 Ų73.50%037%0.366CS..Hα-helixtrans-63.5-45.5175.8-64.50000110.9A340 R343 L344 Y351 G353 F354 H359 L360 V361A340-T357 HydrophobicContact CB-CG2 4.18Å; R343-T357 HydrophobicContact CB-CG2 3.72Å; R343-T357 HydrophobicContact CG-CG2 4.41Å; L344-T357 WeakPolarHBondContact CD2-OG1 3.31Å; L344-T357 HydrophobicContact CG-CG2 4.38Å; Y351-T357 WeakPolarHBondContact CB-OG1 3.49Å; Y351-T357 HydrophobicContact CD1-CG2 3.59Å; Y351-T357 HydrophobicContact CE1-CG2 4.1Å; Y351-T357 HydrophobicContact CG-CG2 4.14Å; G353-T357 WeakPolarHBondContact O-CB 3.06Å; G353-T357 PolarHBondContact O-N 3Å; G353-T357 PolarHBondContact O-OG1 3.35Å; F354-T357 PolarHBondContact O-N 2.88Å; T357-H359 PolarHBondContact O-N 3.37Å; T357-L360 PolarHBondContact O-N 3.26Å; T357-V361 HydrophobicContact CG2-CG2 4.31Å; T357-V361 WeakPolarHBondContact O-CB 3.29Å; T357-V361 VanDerWaalsContact O-CG2 3.26Å; T357-V361 WeakPolarHBondContact O-CG2 3.24Å; T357-V361 PolarHBondContact O-N 3.02Å
358L94.1Very high88.3Confident50 Ų5072.7 Ų72.726%0.26237%0.372SS..Hα-helixtrans-60.6-46.2178.2-170.272.3000111.6P336 F354 F355 G362 L370P336-L358 HydrophobicContact CB-CD1 3.49Å; P336-L358 VanDerWaalsContact CB-CD1 3.49Å; F354-L358 PolarHBondContact O-N 3.33Å; F355-L358 PolarHBondContact O-N 3.16Å; L358-G362 PolarHBondContact O-N 2.9Å; L358-L370 HydrophobicContact CD1-CD1 4.15Å; L358-L370 HydrophobicContact CD1-CD2 3.39Å; L358-L370 HydrophobicContact CD1-CG 4.39Å; L358-L370 HydrophobicContact CG-CD2 4.29Å
359H94.3Very high88.9Confident131 Ų13170.6 Ų70.661%0.60636%0.36SS*.Hα-helixtrans-64.1-43.6176.5-178.278.8000112.2F355 T357 G362 K363F355-H359 VanDerWaalsContact O-CB 3.3Å; F355-H359 WeakPolarHBondContact O-CB 3.39Å; F355-H359 PolarHBondContact O-N 3.44Å; T357-H359 PolarHBondContact O-N 3.37Å; H359-G362 PolarHBondContact O-N 2.89Å; H359-K363 VanDerWaalsContact O-CB 3.26Å; H359-K363 WeakPolarHBondContact O-CB 3.47Å; H359-K363 PolarHBondContact O-N 3.44Å
360L92.7Very high89.8Confident39 Ų3969.6 Ų69.620%0.20435%0.345CS..Hα-helixtrans-63.9-46.9179.4-175.262.9000111.5Y351 R356 T357 K363 E364Y351-L360 HydrophobicContact CD1-CD2 4.07Å; Y351-L360 HydrophobicContact CE1-CD2 3.75Å; Y351-L360 HydrophobicContact CE1-CG 4.41Å; R356-L360 WeakPolarHBondContact O-CB 3.48Å; R356-L360 PolarHBondContact O-N 3.15Å; T357-L360 PolarHBondContact O-N 3.26Å; L360-K363 PolarHBondContact O-N 3.27Å; L360-E364 HydrophobicContact CD1-CG 3.97Å; L360-E364 WeakPolarHBondContact CD1-OE1 3.48Å; L360-E364 HydrophobicContact CG-CG 4.46Å; L360-E364 WeakPolarHBondContact O-CB 3.35Å; L360-E364 WeakPolarHBondContact O-CG 3.44Å; L360-E364 PolarHBondContact O-N 3.27Å
361V91.7Very high90.3Very high1 Ų169.3 Ų69.31%0.00634%0.34CS..Hα-helixtrans-64-43.9176.9176.40000110.5R343 Y351 T357 K363 E364 E365 G366 L370R343-V361 HydrophobicContact CG-CG2 4.15Å; Y351-V361 HydrophobicContact CE1-CG2 4.15Å; T357-V361 HydrophobicContact CG2-CG2 4.31Å; T357-V361 WeakPolarHBondContact O-CB 3.29Å; T357-V361 VanDerWaalsContact O-CG2 3.26Å; T357-V361 WeakPolarHBondContact O-CG2 3.24Å; T357-V361 PolarHBondContact O-N 3.02Å; V361-K363 VanDerWaalsContact C-N 3.29Å; V361-K363 PolarHBondContact O-N 3.29Å; V361-E364 PolarHBondContact O-N 3.44Å; V361-E365 HydrophobicContact CG1-CB 4.41Å; V361-E365 WeakPolarHBondContact O-CA 3.38Å; V361-E365 WeakPolarHBondContact O-CB 3.11Å; V361-E365 PolarHBondContact O-N 3.21Å; V361-G366 PolarHBondContact O-N 3.37Å; V361-L370 HydrophobicContact CB-CD2 3.94Å; V361-L370 HydrophobicContact CG1-CD2 3.71Å; V361-L370 HydrophobicContact CG1-CG 4.28Å
362G91.9Very high90.3Very high28 Ų2870.4 Ų70.429%0.28935%0.345SS..Hα-helixtrans-61.2-36.4175.800000113.1L358 H359 G366L358-G362 PolarHBondContact O-N 2.9Å; H359-G362 PolarHBondContact O-N 2.89Å; G362-G366 WeakPolarHBondContact O-CA 3.5Å; G362-G366 PolarHBondContact O-N 2.88Å; G362-G366 VanDerWaalsContact O-N 3.16Å
363K91.7Very high90.7Very high165 Ų16562.3 Ų62.372%0.71732%0.317SS*.Hα-helixtrans-76.8-40.1178.6-173.3176.7-179.5175.80113.3H359 L360 V361H359-K363 VanDerWaalsContact O-CB 3.26Å; H359-K363 WeakPolarHBondContact O-CB 3.47Å; H359-K363 PolarHBondContact O-N 3.44Å; L360-K363 PolarHBondContact O-N 3.27Å; V361-K363 VanDerWaalsContact C-N 3.29Å; V361-K363 PolarHBondContact O-N 3.29Å
364E89.9Confident90.8Very high105 Ų10562.6 Ų62.649%0.49131%0.312SS..Hα-helixtrans-87.8-33.5-175.5-68.5-174.3164.400113.7L360 V361L360-E364 HydrophobicContact CD1-CG 3.97Å; L360-E364 WeakPolarHBondContact CD1-OE1 3.48Å; L360-E364 HydrophobicContact CG-CG 4.46Å; L360-E364 WeakPolarHBondContact O-CB 3.35Å; L360-E364 WeakPolarHBondContact O-CG 3.44Å; L360-E364 PolarHBondContact O-N 3.27Å; V361-E364 PolarHBondContact O-N 3.44Å
365E87.9Confident90.6Very high34 Ų3464.8 Ų64.816%0.15933%0.333CS..Hα-helixtrans-117-9.6-174.3-62.6179.7-144.700113.7I39 R343 V361 G369I39-E365 VanDerWaalsContact CD1-CD 3.49Å; I39-E365 HydrophobicContact CD1-CG 3.68Å; I39-E365 HydrophobicContact CG1-CG 4.37Å; R343-E365 IonicContact CZ-OE1 3.7Å; R343-E365 IonicContact CZ-OE2 3.84Å; R343-E365 IonicContact NH1-OE1 2.76Å; R343-E365 PolarHBondContact NH1-OE1 2.86Å; R343-E365 VanDerWaalsContact NH2-CD 3.29Å; R343-E365 IonicContact NH2-OE1 2.74Å; R343-E365 PolarHBondContact NH2-OE1 3.41Å; R343-E365 IonicContact NH2-OE2 3.74Å; R343-E365 PolarHBondContact NH2-OE2 3.45Å; V361-E365 HydrophobicContact CG1-CB 4.41Å; V361-E365 WeakPolarHBondContact O-CA 3.38Å; V361-E365 WeakPolarHBondContact O-CB 3.11Å; V361-E365 PolarHBondContact O-N 3.21Å; E365-G369 WeakPolarHBondContact OE2-CA 3.3Å
366G90Very high90.3Very high29 Ų2957.8 Ų57.830%0.29930%0.303SS..Hα-helixtrans69.9-168.6-173.500000113.4V361 G362 S368 G369V361-G366 PolarHBondContact O-N 3.37Å; G362-G366 WeakPolarHBondContact O-CA 3.5Å; G362-G366 PolarHBondContact O-N 2.88Å; G362-G366 VanDerWaalsContact O-N 3.16Å; G366-S368 PolarHBondContact O-N 3.41Å; G366-G369 PolarHBondContact O-N 3.31Å; G366-G369 VanDerWaalsContact O-N 3.13Å
367L88.9Confident90.1Very high133 Ų13350.2 Ų50.270%0.69628%0.275SS*.Hα-helixtrans-61.1-30.4178.2-67.3174.1000112.5G369 L370 Y371L367-G369 VanDerWaalsContact C-N 3.26Å; L367-G369 PolarHBondContact O-N 2.96Å; L367-L370 HydrophobicContact CD2-CD1 4.49Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-Y371 WeakPolarHBondContact O-CD2 3.36Å; L367-Y371 PolarHBondContact O-N 2.93Å
368S85.2Confident90Very high95 Ų9553.7 Ų53.766%0.66429%0.288SS*.Hα-helixtrans-61.2-34.7176.6-172.70000112.3G366 R372G366-S368 PolarHBondContact O-N 3.41Å; S368-R372 WeakPolarHBondContact O-CB 3.4Å; S368-R372 PolarHBondContact O-N 2.93Å
369G87.2Confident89.8Confident2 Ų255.4 Ų55.42%0.02130%0.297CS..Hα-helixtrans-66.2-41.1174.400000113E365 G366 L367 Y371 R372E365-G369 WeakPolarHBondContact OE2-CA 3.3Å; G366-G369 PolarHBondContact O-N 3.31Å; G366-G369 VanDerWaalsContact O-N 3.13Å; L367-G369 VanDerWaalsContact C-N 3.26Å; L367-G369 PolarHBondContact O-N 2.96Å; G369-Y371 VanDerWaalsContact C-N 3.31Å; G369-Y371 PolarHBondContact O-N 3.16Å; G369-R372 VanDerWaalsContact O-CB 3.3Å; G369-R372 WeakPolarHBondContact O-CB 3.35Å; G369-R372 PolarHBondContact O-N 3.11Å
370L91.7Very high89.5Confident19 Ų1950.9 Ų50.910%0.09927%0.274CS..Hα-helixtrans-70.2-24-179.9-67.3-178.4000114.1Y335 P336 V339 L358 V361 L367Y335-L370 WeakPolarHBondContact CD1-O 2.88Å; P336-L370 HydrophobicContact CB-CB 4.48Å; V339-L370 WeakPolarHBondContact CG2-O 3.17Å; L358-L370 HydrophobicContact CD1-CD1 4.15Å; L358-L370 HydrophobicContact CD1-CD2 3.39Å; L358-L370 HydrophobicContact CD1-CG 4.39Å; L358-L370 HydrophobicContact CG-CD2 4.29Å; V361-L370 HydrophobicContact CB-CD2 3.94Å; V361-L370 HydrophobicContact CG1-CD2 3.71Å; V361-L370 HydrophobicContact CG1-CG 4.28Å; L367-L370 HydrophobicContact CD2-CD1 4.49Å; L367-L370 PolarHBondContact O-N 3.4Å
371Y92Very high89.3Confident85 Ų8550.8 Ų50.833%0.33327%0.273SS..THydrogen-bonded Turntrans-107.814.4179.9-73.3-82.3000113.6T332 Y335 P336 L367 G369 G373 M374T332-Y371 HydrophobicContact CG2-CE1 4.31Å; T332-Y371 VanDerWaalsContact O-CE1 3.27Å; T332-Y371 WeakPolarHBondContact O-CE1 3.42Å; T332-Y371 PolarHBondContact O-OH 3.21Å; Y335-Y371 HydrophobicContact CD1-CD1 4.02Å; Y335-Y371 HydrophobicContact CG-CD1 4.33Å; P336-Y371 HydrophobicContact CG-CE2 4.33Å; L367-Y371 WeakPolarHBondContact O-CD2 3.36Å; L367-Y371 PolarHBondContact O-N 2.93Å; G369-Y371 VanDerWaalsContact C-N 3.31Å; G369-Y371 PolarHBondContact O-N 3.16Å; Y371-G373 PolarHBondContact O-N 3.09Å; Y371-M374 HydrophobicContact CD1-CE 4.31Å; Y371-M374 HydrophobicContact CD1-SD 3.63Å; Y371-M374 HydrophobicContact CE1-CE 4.49Å; Y371-M374 HydrophobicContact CE1-SD 4.36Å; Y371-M374 WeakPolarHBondContact O-CB 3.43Å; Y371-M374 PolarHBondContact O-N 2.82Å
372R86.9Confident89Confident30 Ų3055.4 Ų55.411%0.11330%0.301CS..THydrogen-bonded Turntrans-71.6127.2-174.7-164.1176-175.6115.621.5112.4L33 Q34 G38 I39 Y335 S368 G369L33-R372 WeakPolarHBondContact O-CD 3.48Å; L33-R372 WeakPolarHBondContact O-CG 3.35Å; L33-R372 PolarHBondContact O-NE 3.25Å; Q34-R372 WeakPolarHBondContact CG-O 3.3Å; G38-R372 PolarHBondContact O-NH2 3.17Å; I39-R372 VanDerWaalsContact CA-NH1 3.27Å; I39-R372 VanDerWaalsContact N-CZ 3.25Å; Y335-R372 PolarHBondContact OH-O 2.61Å; Y335-R372 VanDerWaalsContact OH-O 3.05Å; S368-R372 WeakPolarHBondContact O-CB 3.4Å; S368-R372 PolarHBondContact O-N 2.93Å; G369-R372 VanDerWaalsContact O-CB 3.3Å; G369-R372 WeakPolarHBondContact O-CB 3.35Å; G369-R372 PolarHBondContact O-N 3.11Å
373G87Confident88.9Confident11 Ų1156.5 Ų56.511%0.11330%0.303CS..THydrogen-bonded Turntrans87.43.1-177.100000114.1Y335 Y371 A375 T376 H377Y335-G373 WeakPolarHBondContact OH-CA 3.43Å; Y335-G373 PolarHBondContact OH-O 3.01Å; Y371-G373 PolarHBondContact O-N 3.09Å; G373-A375 VanDerWaalsContact C-N 3.32Å; G373-A375 PolarHBondContact O-N 2.93Å; G373-T376 WeakPolarHBondContact O-CB 3.28Å; G373-T376 PolarHBondContact O-N 3.47Å; G373-T376 VanDerWaalsContact O-N 3.17Å; G373-H377 PolarHBondContact O-N 3.32Å
374M89.4Confident88.6Confident30 Ų3051.1 Ų51.115%0.14828%0.282CS..Hα-helixtrans-62.7-38.6-177.7-173.9-174-16900112.2T332 Y335 Y371 T376 H377 Y378T332-M374 HydrophobicContact CG2-CE 3.73Å; T332-M374 WeakPolarHBondContact OG1-CE 3.44Å; Y335-M374 HydrophobicContact CD1-CB 4.19Å; Y335-M374 HydrophobicContact CD1-CG 4.48Å; Y335-M374 HydrophobicContact CD2-CB 4.3Å; Y335-M374 HydrophobicContact CD2-CG 4.05Å; Y335-M374 HydrophobicContact CE1-CB 3.83Å; Y335-M374 HydrophobicContact CE2-CB 3.98Å; Y335-M374 HydrophobicContact CE2-CG 4.12Å; Y335-M374 HydrophobicContact CG-CB 4.4Å; Y335-M374 HydrophobicContact CG-CG 4.23Å; Y335-M374 VanDerWaalsContact CZ-CA 3.41Å; Y335-M374 WeakPolarHBondContact OH-CA 3.29Å; Y335-M374 PolarHBondContact OH-N 3.16Å; Y371-M374 HydrophobicContact CD1-CE 4.31Å; Y371-M374 HydrophobicContact CD1-SD 3.63Å; Y371-M374 HydrophobicContact CE1-CE 4.49Å; Y371-M374 HydrophobicContact CE1-SD 4.36Å; Y371-M374 WeakPolarHBondContact O-CB 3.43Å; Y371-M374 PolarHBondContact O-N 2.82Å; M374-T376 PolarHBondContact O-N 2.72Å; M374-H377 WeakPolarHBondContact O-CA 3.31Å; M374-H377 VanDerWaalsContact O-CB 3.27Å; M374-H377 WeakPolarHBondContact O-CB 3.31Å; M374-H377 PolarHBondContact O-N 3.33Å; M374-Y378 HydrophobicContact CE-CE2 3.44Å; M374-Y378 VanDerWaalsContact CE-CE2 3.44Å; M374-Y378 WeakPolarHBondContact CE-OH 3.47Å; M374-Y378 HydrophobicContact CG-CD2 3.97Å; M374-Y378 HydrophobicContact CG-CE2 3.66Å; M374-Y378 WeakPolarHBondContact O-CD2 3.49Å; M374-Y378 PolarHBondContact O-N 3.01Å; M374-Y378 HydrophobicContact SD-CE2 4.1Å
375A88.3Confident88.3Confident63 Ų6348.7 Ų48.752%0.52128%0.276SS..Hα-helixtrans-59.9-44.2174.200000112.1I123 G373 H377 Y378 I379I123-A375 HydrophobicContact CD1-CB 4.39Å; G373-A375 VanDerWaalsContact C-N 3.32Å; G373-A375 PolarHBondContact O-N 2.93Å; A375-H377 PolarHBondContact O-N 2.62Å; A375-Y378 PolarHBondContact O-N 2.86Å; A375-I379 WeakPolarHBondContact O-CG1 3.37Å; A375-I379 PolarHBondContact O-N 3.44Å
376T88.5Confident88.3Confident1 Ų150.9 Ų50.91%0.00630%0.295CS..Hα-helixtrans-62.4-36.4174.1-45.40000111L26 V29 K30 I123 G373 M374 R380L26-T376 HydrophobicContact CB-CG2 4.49Å; L26-T376 HydrophobicContact CD2-CG2 4.38Å; L26-T376 VanDerWaalsContact O-CG2 3.31Å; L26-T376 WeakPolarHBondContact O-CG2 3.24Å; V29-T376 HydrophobicContact CB-CG2 4.3Å; V29-T376 HydrophobicContact CG1-CG2 4.11Å; K30-T376 HydrophobicContact CB-CG2 3.9Å; I123-T376 WeakPolarHBondContact CG1-OG1 3.45Å; I123-T376 HydrophobicContact CG2-CG2 4.45Å; G373-T376 WeakPolarHBondContact O-CB 3.28Å; G373-T376 PolarHBondContact O-N 3.47Å; G373-T376 VanDerWaalsContact O-N 3.17Å; M374-T376 PolarHBondContact O-N 2.72Å; T376-R380 WeakPolarHBondContact O-CB 3.36Å; T376-R380 PolarHBondContact O-N 3.45Å
377H89.7Confident88.1Confident4 Ų450.7 Ų50.72%0.01929%0.287CS..Hα-helixtrans-62.1-48.9176.1-167.2-132.1000112.4K30 Y335 E338 G373 M374 A375 R380 Q381K30-H377 HydrophobicContact CD-CB 4.18Å; K30-H377 VanDerWaalsContact CE-CD2 3.48Å; K30-H377 WeakPolarHBondContact CE-CD2 3.3Å; K30-H377 PolarHBondContact NZ-CD2 2.95Å; K30-H377 PolarHBondContact NZ-NE2 3.25Å; K30-H377 VanDerWaalsContact NZ-NE2 3.16Å; Y335-H377 HydrophobicContact CE2-CB 3.88Å; E338-H377 IonicContact OE1-CE1 3.46Å; E338-H377 PolarHBondContact OE1-CE1 2.92Å; E338-H377 IonicContact OE1-NE2 3.62Å; E338-H377 PolarHBondContact OE1-NE2 3.17Å; G373-H377 PolarHBondContact O-N 3.32Å; M374-H377 WeakPolarHBondContact O-CA 3.31Å; M374-H377 VanDerWaalsContact O-CB 3.27Å; M374-H377 WeakPolarHBondContact O-CB 3.31Å; M374-H377 PolarHBondContact O-N 3.33Å; A375-H377 PolarHBondContact O-N 2.62Å; H377-R380 PolarHBondContact CD2-NH2 3.49Å; H377-R380 PolarHBondContact NE2-NH2 3.25Å; H377-R380 WeakPolarHBondContact O-CB 3.5Å; H377-R380 PolarHBondContact O-N 3.41Å; H377-Q381 WeakPolarHBondContact O-CG 3.48Å; H377-Q381 PolarHBondContact O-N 3.4Å
378Y90.8Very high87.6Confident72 Ų7250 Ų5028%0.28228%0.281SS..Hα-helixtrans-62.2-45.9177-79.4-62000112.8A328 I331 T332 M374 A375 R380 Q381A328-Y378 HydrophobicContact CB-CE1 4.26Å; A328-Y378 PolarHBondContact O-OH 3.3Å; I331-Y378 HydrophobicContact CB-CE1 4.48Å; I331-Y378 HydrophobicContact CD1-CE1 4.24Å; I331-Y378 HydrophobicContact CG2-CE1 4.25Å; T332-Y378 PolarHBondContact OG1-OH 3.43Å; M374-Y378 HydrophobicContact CE-CE2 3.44Å; M374-Y378 VanDerWaalsContact CE-CE2 3.44Å; M374-Y378 WeakPolarHBondContact CE-OH 3.47Å; M374-Y378 HydrophobicContact CG-CD2 3.97Å; M374-Y378 HydrophobicContact CG-CE2 3.66Å; M374-Y378 WeakPolarHBondContact O-CD2 3.49Å; M374-Y378 PolarHBondContact O-N 3.01Å; M374-Y378 HydrophobicContact SD-CE2 4.1Å; A375-Y378 PolarHBondContact O-N 2.86Å; Y378-R380 PolarHBondContact O-N 3Å; Y378-Q381 WeakPolarHBondContact O-CB 3.36Å; Y378-Q381 PolarHBondContact O-N 3.46Å
379I90.5Very high87.5Confident87 Ų8749.9 Ų49.945%0.44627%0.272SS..Hα-helixtrans-59.7-38178.2-70168.7000110.9L26 I123 A375 Q381 P383L26-I379 HydrophobicContact CD1-CG2 4.28Å; I123-I379 HydrophobicContact CD1-CD1 3.37Å; A375-I379 WeakPolarHBondContact O-CG1 3.37Å; A375-I379 PolarHBondContact O-N 3.44Å; I379-Q381 VanDerWaalsContact C-N 3.3Å; I379-Q381 PolarHBondContact O-N 2.92Å; I379-P383 WeakPolarHBondContact O-CD 3.48Å
380R88.5Confident87.4Confident35 Ų3551.4 Ų51.413%0.13229%0.288CS..Hα-helixtrans-66.1-29.7176.6-171.8-167.666.186.13.3112.9T23 L26 T376 H377 Y378 V382 P383 N384T23-R380 HydrophobicContact CG2-CG 4.37Å; L26-R380 HydrophobicContact CB-CB 4.36Å; L26-R380 HydrophobicContact CB-CG 4.33Å; L26-R380 HydrophobicContact CD1-CB 4.4Å; T376-R380 WeakPolarHBondContact O-CB 3.36Å; T376-R380 PolarHBondContact O-N 3.45Å; H377-R380 PolarHBondContact CD2-NH2 3.49Å; H377-R380 PolarHBondContact NE2-NH2 3.25Å; H377-R380 WeakPolarHBondContact O-CB 3.5Å; H377-R380 PolarHBondContact O-N 3.41Å; Y378-R380 PolarHBondContact O-N 3Å; R380-V382 VanDerWaalsContact C-N 3.35Å; R380-V382 PolarHBondContact O-N 2.74Å; R380-P383 WeakPolarHBondContact O-CD 3.19Å; R380-N384 VanDerWaalsContact O-CB 3.25Å; R380-N384 WeakPolarHBondContact O-CB 3.36Å; R380-N384 PolarHBondContact O-N 2.8Å
381Q87Confident86.9Confident37 Ų3751.2 Ų51.217%0.17329%0.288CS..Hα-helixtrans-64.4-39.2-177.1-66.4-67.93000112.2I331 H377 Y378 I379 N384 S385I331-Q381 HydrophobicContact CD1-CG 4.37Å; H377-Q381 WeakPolarHBondContact O-CG 3.48Å; H377-Q381 PolarHBondContact O-N 3.4Å; Y378-Q381 WeakPolarHBondContact O-CB 3.36Å; Y378-Q381 PolarHBondContact O-N 3.46Å; I379-Q381 VanDerWaalsContact C-N 3.3Å; I379-Q381 PolarHBondContact O-N 2.92Å; Q381-N384 PolarHBondContact O-N 2.76Å; Q381-S385 PolarHBondContact O-N 3.14Å; Q381-S385 PolarHBondContact O-OG 3.07Å
382V86.7Confident86.1Confident99 Ų9953.1 Ų53.160%0.630%0.295SS*.Hα-helixtrans-63.4-54.9-176.4175.90000111.6R380 N384 S385 C386R380-V382 VanDerWaalsContact C-N 3.35Å; R380-V382 PolarHBondContact O-N 2.74Å; V382-N384 VanDerWaalsContact C-N 3.3Å; V382-N384 PolarHBondContact O-N 2.7Å; V382-S385 PolarHBondContact O-N 3.38Å; V382-C386 PolarHBondContact O-N 3.33Å; V382-C386 PolarHBondContact O-SG 3.23Å
383P88.4Confident85.9Confident50 Ų5057.6 Ų57.633%0.32532%0.317SS..Hα-helixtrans-59.4-40174.4-2434.1000112.7T23 I379 R380 S385 C386 I387T23-P383 HydrophobicContact CG2-CB 4.31Å; I379-P383 WeakPolarHBondContact O-CD 3.48Å; R380-P383 WeakPolarHBondContact O-CD 3.19Å; P383-S385 VanDerWaalsContact C-N 3.33Å; P383-S385 PolarHBondContact O-N 3.27Å; P383-C386 PolarHBondContact O-N 2.82Å; P383-I387 HydrophobicContact CB-CD1 4.44Å; P383-I387 WeakPolarHBondContact O-CB 3.23Å; P383-I387 VanDerWaalsContact O-CD1 3.29Å; P383-I387 WeakPolarHBondContact O-CD1 3.38Å; P383-I387 WeakPolarHBondContact O-CG1 3.34Å; P383-I387 PolarHBondContact O-N 2.94Å
384N85.6Confident85.7Confident52 Ų5262.5 Ų62.528%0.27834%0.336SS..Hα-helixtrans-59.8-43.4179.2-174.780.7000111.9T23 R380 Q381 V382 M388T23-N384 HydrophobicContact CG2-CB 4.33Å; R380-N384 VanDerWaalsContact O-CB 3.25Å; R380-N384 WeakPolarHBondContact O-CB 3.36Å; R380-N384 PolarHBondContact O-N 2.8Å; Q381-N384 PolarHBondContact O-N 2.76Å; V382-N384 VanDerWaalsContact C-N 3.3Å; V382-N384 PolarHBondContact O-N 2.7Å; N384-M388 WeakPolarHBondContact O-CB 3.14Å; N384-M388 PolarHBondContact O-N 3.42Å; N384-M388 VanDerWaalsContact O-N 3.09Å
385S84.1Confident85.2Confident54 Ų5461.6 Ų61.638%0.37833%0.332SS..Hα-helixtrans-67.2-44.4175.7-64.60000112.2Q381 V382 P383 I387 M388 I389Q381-S385 PolarHBondContact O-N 3.14Å; Q381-S385 PolarHBondContact O-OG 3.07Å; V382-S385 PolarHBondContact O-N 3.38Å; P383-S385 VanDerWaalsContact C-N 3.33Å; P383-S385 PolarHBondContact O-N 3.27Å; S385-I387 VanDerWaalsContact C-N 3.34Å; S385-I387 PolarHBondContact O-N 2.8Å; S385-M388 PolarHBondContact O-N 3.36Å; S385-I389 WeakPolarHBondContact O-CG1 3.4Å; S385-I389 PolarHBondContact O-N 3.48Å
386C87.2Confident84.7Confident81 Ų8160.5 Ų60.555%0.54732%0.319SS..Hα-helixtrans-61.5-42.1177.9-64.50000112.1V382 P383 I389 G390V382-C386 PolarHBondContact O-N 3.33Å; V382-C386 PolarHBondContact O-SG 3.23Å; P383-C386 PolarHBondContact O-N 2.82Å; C386-I389 PolarHBondContact O-N 3.14Å; C386-G390 PolarHBondContact O-N 3.19Å
387I86.5Confident84.5Confident24 Ų2466.4 Ų66.412%0.12335%0.345CS..Hα-helixtrans-67.2-40178.9-65.9158.9000110.7V18 L22 T23 P383 S385 T391V18-I387 HydrophobicContact CB-CG2 4.29Å; V18-I387 HydrophobicContact CG1-CG2 3.93Å; L22-I387 HydrophobicContact CB-CD1 3.72Å; L22-I387 HydrophobicContact CD1-CD1 3.62Å; L22-I387 HydrophobicContact CD1-CG1 3.99Å; L22-I387 HydrophobicContact CG-CD1 4.3Å; T23-I387 HydrophobicContact CG2-CD1 4.21Å; P383-I387 HydrophobicContact CB-CD1 4.44Å; P383-I387 WeakPolarHBondContact O-CB 3.23Å; P383-I387 VanDerWaalsContact O-CD1 3.29Å; P383-I387 WeakPolarHBondContact O-CD1 3.38Å; P383-I387 WeakPolarHBondContact O-CG1 3.34Å; P383-I387 PolarHBondContact O-N 2.94Å; S385-I387 VanDerWaalsContact C-N 3.34Å; S385-I387 PolarHBondContact O-N 2.8Å; I387-T391 VanDerWaalsContact O-CB 3.26Å; I387-T391 WeakPolarHBondContact O-CB 3.25Å; I387-T391 PolarHBondContact O-N 3.25Å; I387-T391 PolarHBondContact O-OG1 2.96Å
388M78.5Confident84.1Confident118 Ų11869.2 Ų69.258%0.58136%0.36SS*.Hα-helixtrans-61.3-47.7177.4-175.5-178.970.800111.3N384 S385 Y392N384-M388 WeakPolarHBondContact O-CB 3.14Å; N384-M388 PolarHBondContact O-N 3.42Å; N384-M388 VanDerWaalsContact O-N 3.09Å; S385-M388 PolarHBondContact O-N 3.36Å; M388-Y392 WeakPolarHBondContact O-CB 3.48Å; M388-Y392 PolarHBondContact O-N 3.14Å
389I82.9Confident83.3Confident93 Ų9369.2 Ų69.248%0.47736%0.364SS..Hα-helixtrans-65.6-50.8177.8-64.3168.2000110.3S385 C386 T391 Y392 E393S385-I389 WeakPolarHBondContact O-CG1 3.4Å; S385-I389 PolarHBondContact O-N 3.48Å; C386-I389 PolarHBondContact O-N 3.14Å; I389-T391 VanDerWaalsContact C-N 3.28Å; I389-T391 PolarHBondContact O-N 3.39Å; I389-Y392 WeakPolarHBondContact O-CB 3.21Å; I389-Y392 PolarHBondContact O-N 3.01Å; I389-Y392 VanDerWaalsContact O-N 3.09Å; I389-E393 HydrophobicContact CG2-CG 4.46Å; I389-E393 PolarHBondContact O-N 2.95Å
390G84.4Confident82.8Confident35 Ų3570.7 Ų70.736%0.36137%0.369SS..Hα-helixtrans-62.4-34.6-178.800000113C386 F394C386-G390 PolarHBondContact O-N 3.19Å; G390-F394 VanDerWaalsContact O-CB 3.23Å; G390-F394 WeakPolarHBondContact O-CB 3.41Å; G390-F394 PolarHBondContact O-N 3.09Å
391T81.9Confident82.4Confident14 Ų1470.8 Ų70.89%0.08638%0.375CS..Hα-helixtrans-73.5-37.1175-48.30000111.6I14 G15 I387 I389 F394 V395I14-T391 HydrophobicContact CB-CG2 4.4Å; I14-T391 HydrophobicContact CG2-CG2 4.07Å; G15-T391 VanDerWaalsContact CA-CB 3.48Å; G15-T391 WeakPolarHBondContact CA-OG1 3.25Å; G15-T391 VanDerWaalsContact N-CG2 3.32Å; I387-T391 VanDerWaalsContact O-CB 3.26Å; I387-T391 WeakPolarHBondContact O-CB 3.25Å; I387-T391 PolarHBondContact O-N 3.25Å; I387-T391 PolarHBondContact O-OG1 2.96Å; I389-T391 VanDerWaalsContact C-N 3.28Å; I389-T391 PolarHBondContact O-N 3.39Å; T391-F394 PolarHBondContact O-N 3.45Å; T391-V395 HydrophobicContact CG2-CG2 4.06Å; T391-V395 WeakPolarHBondContact O-CB 3.48Å; T391-V395 WeakPolarHBondContact O-CG2 3.37Å; T391-V395 PolarHBondContact O-N 3.32Å
392Y75.3Confident81.7Confident125 Ų12577.8 Ų77.849%0.4940%0.4SS..Hα-helixtrans-59.4-50.3173.5175.3-94000110.8H8 M388 I389 F394 V395 V396H8-Y392 AromaticContact CE1-CE2 3.96Å; H8-Y392 AromaticContact ND1-CE2 3.92Å; M388-Y392 WeakPolarHBondContact O-CB 3.48Å; M388-Y392 PolarHBondContact O-N 3.14Å; I389-Y392 WeakPolarHBondContact O-CB 3.21Å; I389-Y392 PolarHBondContact O-N 3.01Å; I389-Y392 VanDerWaalsContact O-N 3.09Å; Y392-F394 PolarHBondContact O-N 2.89Å; Y392-V395 PolarHBondContact O-N 2.7Å; Y392-V396 HydrophobicContact CD1-CG2 4.44Å; Y392-V396 HydrophobicContact CE1-CG2 4.06Å; Y392-V396 HydrophobicContact CE2-CG2 4.3Å; Y392-V396 WeakPolarHBondContact O-CG2 3.4Å; Y392-V396 PolarHBondContact O-N 2.97Å
393E82.4Confident81Confident124 Ų12478 Ų7858%0.57940%0.398SS*.Hα-helixtrans-60.4-43.6176.8-70.9179.5170.200111.9I389 V395 V396 F397I389-E393 HydrophobicContact CG2-CG 4.46Å; I389-E393 PolarHBondContact O-N 2.95Å; E393-V395 PolarHBondContact O-N 2.81Å; E393-V396 PolarHBondContact O-N 2.96Å; E393-F397 VanDerWaalsContact O-CB 3.31Å; E393-F397 WeakPolarHBondContact O-CB 3.34Å; E393-F397 PolarHBondContact O-N 3.05Å
394F83.9Confident79.6Confident114 Ų11480.8 Ų80.850%0.541%0.41SS..Hα-helixtrans-62.9-41.6177.9-178.7-107.5000112.7G390 T391 Y392 F397 L398G390-F394 VanDerWaalsContact O-CB 3.23Å; G390-F394 WeakPolarHBondContact O-CB 3.41Å; G390-F394 PolarHBondContact O-N 3.09Å; T391-F394 PolarHBondContact O-N 3.45Å; Y392-F394 PolarHBondContact O-N 2.89Å; F394-F397 PolarHBondContact O-N 2.86Å; F394-L398 HydrophobicContact CD1-CD1 3.98Å; F394-L398 HydrophobicContact CD1-CG 4.43Å; F394-L398 HydrophobicContact CE1-CD1 3.38Å; F394-L398 HydrophobicContact CE1-CG 4.04Å; F394-L398 HydrophobicContact CE2-CD1 4.48Å; F394-L398 HydrophobicContact CE2-CD2 4.45Å; F394-L398 HydrophobicContact CE2-CG 4.31Å; F394-L398 HydrophobicContact CZ-CD1 3.68Å; F394-L398 HydrophobicContact CZ-CD2 4.17Å; F394-L398 HydrophobicContact CZ-CG 3.97Å; F394-L398 WeakPolarHBondContact O-CG 3.37Å; F394-L398 PolarHBondContact O-N 3.28Å
395V78.8Confident78.4Confident12 Ų1282.2 Ų82.27%0.07342%0.42CS..Hα-helixtrans-66.9-45.1179170.80000110.5V7 G11 T391 Y392 E393 F397 L398 L399V7-V395 HydrophobicContact CG1-CG1 4.25Å; G11-V395 VanDerWaalsContact CA-CG2 3.47Å; T391-V395 HydrophobicContact CG2-CG2 4.06Å; T391-V395 WeakPolarHBondContact O-CB 3.48Å; T391-V395 WeakPolarHBondContact O-CG2 3.37Å; T391-V395 PolarHBondContact O-N 3.32Å; Y392-V395 PolarHBondContact O-N 2.7Å; E393-V395 PolarHBondContact O-N 2.81Å; V395-F397 VanDerWaalsContact C-N 3.33Å; V395-F397 PolarHBondContact O-N 3.34Å; V395-L398 PolarHBondContact O-N 3.2Å; V395-L399 HydrophobicContact CG1-CD1 3.74Å; V395-L399 WeakPolarHBondContact O-CD1 3.35Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 3.47Å
396V76.8Confident77.1Confident40 Ų4086.7 Ų86.724%0.24243%0.433CS..Hα-helixtrans-59.4-45.7175171.80000110.6Y392 E393 L398 L399 Q400Y392-V396 HydrophobicContact CD1-CG2 4.44Å; Y392-V396 HydrophobicContact CE1-CG2 4.06Å; Y392-V396 HydrophobicContact CE2-CG2 4.3Å; Y392-V396 WeakPolarHBondContact O-CG2 3.4Å; Y392-V396 PolarHBondContact O-N 2.97Å; E393-V396 PolarHBondContact O-N 2.96Å; V396-L398 PolarHBondContact O-N 3.1Å; V396-L399 PolarHBondContact O-N 2.87Å; V396-Q400 HydrophobicContact CG1-CG 4.46Å; V396-Q400 WeakPolarHBondContact O-CG 2.97Å; V396-Q400 PolarHBondContact O-N 2.96Å
397F84.3Confident75.9Confident124 Ų12488.8 Ų88.854%0.54444%0.438SS..Hα-helixtrans-59.5-45.3177.1173.7-96.4000112.6E393 F394 V395 S401E393-F397 VanDerWaalsContact O-CB 3.31Å; E393-F397 WeakPolarHBondContact O-CB 3.34Å; E393-F397 PolarHBondContact O-N 3.05Å; F394-F397 PolarHBondContact O-N 2.86Å; V395-F397 VanDerWaalsContact C-N 3.33Å; V395-F397 PolarHBondContact O-N 3.34Å; F397-S401 WeakPolarHBondContact O-CB 3.21Å; F397-S401 PolarHBondContact O-N 3.41Å; F397-S401 PolarHBondContact O-OG 3.37Å
398L82.5Confident74.7Confident64 Ų6494.2 Ų94.234%0.33547%0.466SS..Hα-helixtrans-58.5-52.9174.9-75.7-178.9000109.6F394 V395 V396 Q400 S401 W402F394-L398 HydrophobicContact CD1-CD1 3.98Å; F394-L398 HydrophobicContact CD1-CG 4.43Å; F394-L398 HydrophobicContact CE1-CD1 3.38Å; F394-L398 HydrophobicContact CE1-CG 4.04Å; F394-L398 HydrophobicContact CE2-CD1 4.48Å; F394-L398 HydrophobicContact CE2-CD2 4.45Å; F394-L398 HydrophobicContact CE2-CG 4.31Å; F394-L398 HydrophobicContact CZ-CD1 3.68Å; F394-L398 HydrophobicContact CZ-CD2 4.17Å; F394-L398 HydrophobicContact CZ-CG 3.97Å; F394-L398 WeakPolarHBondContact O-CG 3.37Å; F394-L398 PolarHBondContact O-N 3.28Å; V395-L398 PolarHBondContact O-N 3.2Å; V396-L398 PolarHBondContact O-N 3.1Å; L398-Q400 VanDerWaalsContact C-N 3.33Å; L398-Q400 PolarHBondContact O-N 3.4Å; L398-S401 CarbonylContact O-C 3.55Å; L398-S401 WeakPolarHBondContact O-CA 3.46Å; L398-S401 VanDerWaalsContact O-CB 3.3Å; L398-S401 WeakPolarHBondContact O-CB 3.36Å; L398-S401 PolarHBondContact O-N 3.29Å; L398-W402 PolarHBondContact O-N 3.41Å
399L73.7Confident73.5Confident72 Ų7297.1 Ų97.138%0.37748%0.476SS..Hα-helixtrans-59.7-42.4-176.2-70.1157.1000113.2V7 V395 V396 S401 W402 D403V7-L399 HydrophobicContact CB-CD1 3.65Å; V7-L399 HydrophobicContact CG1-CD1 3.09Å; V7-L399 HydrophobicContact CG2-CD1 3.23Å; V7-L399 HydrophobicContact CG2-CD2 3.85Å; V7-L399 HydrophobicContact CG2-CG 4.15Å; V395-L399 HydrophobicContact CG1-CD1 3.74Å; V395-L399 WeakPolarHBondContact O-CD1 3.35Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 3.47Å; V396-L399 PolarHBondContact O-N 2.87Å; L399-S401 VanDerWaalsContact C-N 3.3Å; L399-S401 PolarHBondContact O-N 3.36Å; L399-W402 PolarHBondContact O-N 3.37Å; L399-D403 PolarHBondContact O-N 3.14Å
400Q78.7Confident71.8Confident117 Ų117102 Ų10255%0.54751%0.509SS..Hα-helixtrans-60.8-39.9173.1-72175.8-20.600111.9V396 L398 D403 L404V396-Q400 HydrophobicContact CG1-CG 4.46Å; V396-Q400 WeakPolarHBondContact O-CG 2.97Å; V396-Q400 PolarHBondContact O-N 2.96Å; L398-Q400 VanDerWaalsContact C-N 3.33Å; L398-Q400 PolarHBondContact O-N 3.4Å; Q400-D403 PolarHBondContact O-N 3.44Å; Q400-L404 WeakPolarHBondContact O-CB 3.34Å; Q400-L404 WeakPolarHBondContact O-CG 3.48Å; Q400-L404 PolarHBondContact O-N 3.08Å
401S80.3Confident71.1Confident37 Ų37105.4 Ų105.426%0.25952%0.517SS..Hα-helixtrans-65.7-38.2175.9-560000112F397 L398 L399 T405F397-S401 WeakPolarHBondContact O-CB 3.21Å; F397-S401 PolarHBondContact O-N 3.41Å; F397-S401 PolarHBondContact O-OG 3.37Å; L398-S401 CarbonylContact O-C 3.55Å; L398-S401 WeakPolarHBondContact O-CA 3.46Å; L398-S401 VanDerWaalsContact O-CB 3.3Å; L398-S401 WeakPolarHBondContact O-CB 3.36Å; L398-S401 PolarHBondContact O-N 3.29Å; L399-S401 VanDerWaalsContact C-N 3.3Å; L399-S401 PolarHBondContact O-N 3.36Å; S401-T405 WeakPolarHBondContact O-CB 3.33Å; S401-T405 PolarHBondContact O-N 3Å; S401-T405 VanDerWaalsContact O-N 3.1Å; S401-T405 PolarHBondContact O-OG1 3.18Å
402W73.7Confident70.6Confident184 Ų184110.2 Ų110.270%0.69754%0.54SS*.Hα-helixtrans-69.9-35.7177.2-80.475.9000112.2L398 L399 T405 K406L398-W402 PolarHBondContact O-N 3.41Å; L399-W402 PolarHBondContact O-N 3.37Å; W402-T405 PolarHBondContact O-N 2.96Å; W402-K406 PolarHBondContact O-N 3.43Å
403D71Confident70.3Confident103 Ų103109.3 Ų109.355%0.55154%0.542SS*.Hα-helixtrans-68.2-47.2176.4-143.424.7000111L399 Q400 T405 K406 D407L399-D403 PolarHBondContact O-N 3.14Å; Q400-D403 PolarHBondContact O-N 3.44Å; D403-T405 PolarHBondContact O-N 3.13Å; D403-T405 VanDerWaalsContact O-N 3.16Å; D403-K406 WeakPolarHBondContact O-CB 3.18Å; D403-K406 PolarHBondContact O-N 3.47Å; D403-D407 PolarHBondContact O-N 3.47Å
404L59.1Low69.6Low110 Ų110108.5 Ų108.558%0.57654%0.54SS*.Hα-helixtrans-58.4-31.3173.1-73.5167000113Q400 K406 I408Q400-L404 WeakPolarHBondContact O-CB 3.34Å; Q400-L404 WeakPolarHBondContact O-CG 3.48Å; Q400-L404 PolarHBondContact O-N 3.08Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-I408 WeakPolarHBondContact O-CD1 3.28Å; L404-I408 WeakPolarHBondContact O-CG1 3.2Å
405T59.7Low68.7Low81 Ų81108.1 Ų108.150%0.49754%0.543SS..Hα-helixtrans-75.3-23.8178.1-51.80000112.3S401 W402 D403S401-T405 WeakPolarHBondContact O-CB 3.33Å; S401-T405 PolarHBondContact O-N 3Å; S401-T405 VanDerWaalsContact O-N 3.1Å; S401-T405 PolarHBondContact O-OG1 3.18Å; W402-T405 PolarHBondContact O-N 2.96Å; D403-T405 PolarHBondContact O-N 3.13Å; D403-T405 VanDerWaalsContact O-N 3.16Å
406K57.5Low68Low149 Ų149114.5 Ų114.565%0.64857%0.574SS**Hα-helixtrans-76.7-35.7174.2-75.8-176.7179175.80112W402 D403 L404 I408 K409W402-K406 PolarHBondContact O-N 3.43Å; D403-K406 WeakPolarHBondContact O-CB 3.18Å; D403-K406 PolarHBondContact O-N 3.47Å; L404-K406 VanDerWaalsContact C-N 3.33Å; K406-I408 VanDerWaalsContact C-N 3.27Å; K406-I408 PolarHBondContact O-N 2.9Å; K406-K409 PolarHBondContact O-N 3.45Å
407D62.1Low67.4Low124 Ų124119.9 Ų119.966%0.66360%0.598SS**Hα-helixtrans-72.3-17179.4-70.1-29.5000113.8D403D403-D407 PolarHBondContact O-N 3.47Å
408I60.9Low66.1Low139 Ų139119.5 Ų119.571%0.71360%0.602SS**THydrogen-bonded Turntrans-91.4-3-179.8-65.4170.1000112.8L404 K406L404-I408 WeakPolarHBondContact O-CD1 3.28Å; L404-I408 WeakPolarHBondContact O-CG1 3.2Å; K406-I408 VanDerWaalsContact C-N 3.27Å; K406-I408 PolarHBondContact O-N 2.9Å
409K52.9Low64.7Low179 Ų179124.2 Ų124.278%0.77862%0.624SS**  trans-107.721.3-175.1-82.8-167.7176.5-175.80116K406K406-K409 PolarHBondContact O-N 3.45Å
410V47.3Very low63.9Low195 Ų195128.9 Ų128.9100%1.18265%0.646SS**  trans-115.70168.9-175.20000108.4

Retrieved 410 of 410 residues in 125.5 ms (Link to these results)

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