A0A096LQT4_POEFO Loading...

Diacylglycerol lipase-alpha

AlphaFold DB , UniProt , Accession A0A096LQT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 843 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
1M57.2Low75.4Confident24 Ų2456.6 Ų56.612%0.11826%0.259CS..  0152.50-67.672.5158.500107.7G3 I85 L86 D230 D235 L544M1-G3 PolarHBondContact O-N 3.41Å; M1-G3 VanDerWaalsContact O-N 3.11Å; M1-I85 HydrophobicContact CB-CG2 4.33Å; M1-I85 VanDerWaalsContact CB-O 3.31Å; M1-I85 WeakPolarHBondContact CB-O 3.32Å; M1-I85 HydrophobicContact CE-CB 3.76Å; M1-I85 HydrophobicContact CE-CG2 3.63Å; M1-I85 HydrophobicContact CG-CG2 3.94Å; M1-I85 VanDerWaalsContact CG-O 3.29Å; M1-I85 WeakPolarHBondContact CG-O 3.4Å; M1-I85 HydrophobicContact SD-CB 4.3Å; M1-I85 HydrophobicContact SD-CG2 3.52Å; M1-I85 VanDerWaalsContact SD-CG2 3.52Å; M1-L86 HydrophobicContact CE-CD2 3.94Å; M1-L86 HydrophobicContact CE-CG 3.71Å; M1-L86 HydrophobicContact CG-CD2 3.78Å; M1-L86 HydrophobicContact CG-CG 4.24Å; M1-D230 CarbonylContact C-O 3.57Å; M1-D230 WeakPolarHBondContact CA-O 3.27Å; M1-D230 PolarHBondContact N-O 3.07Å; M1-D235 PolarHBondContact N-OD2 3.5Å; M1-D235 HydrophobicContact SD-CB 4.33Å; M1-L544 HydrophobicContact CE-CB 3.89Å; M1-L544 HydrophobicContact CE-CD2 4.24Å; M1-L544 HydrophobicContact CE-CG 4.49Å
2P64.8Low75Confident64 Ų6453.9 Ų53.942%0.41625%0.251SS..PPolyproline II helixtrans-58.2119.5-154.721-33.2000113.6M4 T88 D230P2-M4 PolarHBondContact O-N 3.41Å; P2-T88 HydrophobicContact CG-CG2 4.37Å; P2-D230 WeakPolarHBondContact CA-OD1 3.48Å
3G70.1Confident75.4Confident3 Ų351.8 Ų51.83%0.03124%0.244CC..PPolyproline II helixtrans-57136173.400000110.6M1 V5 W11 D230M1-G3 PolarHBondContact O-N 3.41Å; M1-G3 VanDerWaalsContact O-N 3.11Å; G3-V5 PolarHBondContact O-N 3.35Å; G3-W11 CarbonylContact C-O 3.59Å; G3-W11 WeakPolarHBondContact CA-O 3.25Å; G3-D230 PolarHBondContact N-OD1 3Å
4M80.5Confident75.9Confident20 Ų2048.4 Ų48.410%0.09923%0.23CC..PPolyproline II helixtrans-58137.7-167.2-168.4-171.7-61.300111.7P2 M6 R10 W11 V13 L18 V94 I98P2-M4 PolarHBondContact O-N 3.41Å; M4-M6 HydrophobicContact CG-CG 4.1Å; M4-M6 HydrophobicContact SD-CE 3.79Å; M4-M6 HydrophobicContact SD-CG 3.73Å; M4-M6 HydrophobicContact SD-SD 3.6Å; M4-M6 VanDerWaalsContact SD-SD 3.6Å; M4-R10 CarbonylContact O-C 3.48Å; M4-R10 WeakPolarHBondContact O-CA 3.39Å; M4-W11 PolarHBondContact O-N 3.11Å; M4-V13 WeakPolarHBondContact CB-O 3.42Å; M4-V13 PolarHBondContact N-O 2.93Å; M4-L18 HydrophobicContact CE-CD1 3.84Å; M4-V94 HydrophobicContact CE-CG1 3.96Å; M4-I98 HydrophobicContact CE-CD1 3.67Å; M4-I98 HydrophobicContact SD-CD1 3.56Å; M4-I98 VanDerWaalsContact SD-CD1 3.56Å
5V80.4Confident76.4Confident68 Ų6846.3 Ų46.341%0.41222%0.223SC..EExtended strand (participates in β ladder)trans-102.4105177.5-1780000110G3 R9 V165G3-V5 PolarHBondContact O-N 3.35Å; V5-R9 CarbonylContact C-O 3.44Å; V5-R9 VanDerWaalsContact CA-O 3.3Å; V5-R9 WeakPolarHBondContact CA-O 3.32Å; V5-V165 HydrophobicContact CG1-CG2 4.08Å; V5-V165 HydrophobicContact CG2-CG2 4.26Å
6M79.4Confident76.8Confident21 Ų2144.2 Ų44.210%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-121.2146.3173.6-64.4-175.8-73.200109.9M4 R8 R9 W11 I98 Y99M4-M6 HydrophobicContact CG-CG 4.1Å; M4-M6 HydrophobicContact SD-CE 3.79Å; M4-M6 HydrophobicContact SD-CG 3.73Å; M4-M6 HydrophobicContact SD-SD 3.6Å; M4-M6 VanDerWaalsContact SD-SD 3.6Å; M6-R8 PolarHBondContact O-N 2.99Å; M6-R8 VanDerWaalsContact O-N 3.15Å; M6-R9 PolarHBondContact N-O 2.97Å; M6-R9 WeakPolarHBondContact O-CB 3.25Å; M6-R9 PolarHBondContact O-N 3.35Å; M6-W11 HydrophobicContact CE-CD2 4.23Å; M6-W11 HydrophobicContact CE-CG 4.2Å; M6-I98 HydrophobicContact CE-CD1 4.42Å; M6-I98 HydrophobicContact CE-CG2 4.42Å; M6-I98 HydrophobicContact SD-CB 4.13Å; M6-I98 HydrophobicContact SD-CD1 3.87Å; M6-I98 HydrophobicContact SD-CG2 3.65Å; M6-Y99 WeakPolarHBondContact CA-OH 3.38Å; M6-Y99 HydrophobicContact CB-CE1 4.35Å
7F80.9Confident77.3Confident115 Ų11543.4 Ų43.450%0.50421%0.21SC..THydrogen-bonded Turntrans50.937.3-177.8-53.9-73.9000114.3R9 Y99 L102F7-R9 PolarHBondContact O-N 2.94Å; F7-Y99 HydrophobicContact CD1-CE1 4.2Å; F7-Y99 HydrophobicContact CD2-CE1 4.21Å; F7-Y99 HydrophobicContact CE1-CD1 4.12Å; F7-Y99 AromaticContact CE1-CE1 3.73Å; F7-Y99 HydrophobicContact CE1-CE1 3.73Å; F7-Y99 HydrophobicContact CE2-CD1 4.22Å; F7-Y99 AromaticContact CE2-CE1 3.75Å; F7-Y99 HydrophobicContact CE2-CE1 3.75Å; F7-Y99 HydrophobicContact CG-CE1 4.42Å; F7-Y99 AromaticContact CZ-CD1 3.69Å; F7-Y99 HydrophobicContact CZ-CD1 3.69Å; F7-Y99 AromaticContact CZ-CE1 3.49Å; F7-Y99 HydrophobicContact CZ-CE1 3.49Å; F7-Y99 VanDerWaalsContact CZ-CE1 3.49Å; F7-Y99 PolarHBondContact N-OH 3.35Å; F7-L102 HydrophobicContact CE2-CD2 4.14Å; F7-L102 HydrophobicContact CZ-CD2 3.63Å
8R78.8Confident77.8Confident220 Ų22042.9 Ų42.983%0.8321%0.208SC*.THydrogen-bonded Turntrans57.428.7-174.5-55.1179178.5172.5-0.6114M6M6-R8 PolarHBondContact O-N 2.99Å; M6-R8 VanDerWaalsContact O-N 3.15Å
9R79.9Confident78.3Confident40 Ų4041.3 Ų41.315%0.15120%0.201CC..EExtended strand (participates in β ladder)trans-130.4133.2179.5-171.7-177.4-149.8128.211.9110V5 M6 F7 W11 F157 D158 P159 R162V5-R9 CarbonylContact C-O 3.44Å; V5-R9 VanDerWaalsContact CA-O 3.3Å; V5-R9 WeakPolarHBondContact CA-O 3.32Å; M6-R9 PolarHBondContact N-O 2.97Å; M6-R9 WeakPolarHBondContact O-CB 3.25Å; M6-R9 PolarHBondContact O-N 3.35Å; F7-R9 PolarHBondContact O-N 2.94Å; R9-W11 VanDerWaalsContact O-CD1 3.23Å; R9-F157 VanDerWaalsContact NH1-CZ 3.26Å; R9-D158 PolarHBondContact NE-O 3.19Å; R9-D158 PolarHBondContact NH2-O 3.29Å; R9-P159 PolarHBondContact NH2-O 3.41Å; R9-R162 HydrophobicContact CB-CG 4.01Å; R9-R162 HydrophobicContact CG-CG 3.98Å
10R80.1Confident78.5Confident18 Ų1844.7 Ų44.77%0.06822%0.219CC..EExtended strand (participates in β ladder)trans-67.9139.8165.4174.8173.6-178.4-114.48.1110.1M4 G161 F164 V165 D230M4-R10 CarbonylContact O-C 3.48Å; M4-R10 WeakPolarHBondContact O-CA 3.39Å; R10-G161 PolarHBondContact N-O 3.34Å; R10-G161 WeakPolarHBondContact O-CA 3.45Å; R10-F164 HydrophobicContact CB-CD1 4.19Å; R10-F164 HydrophobicContact CG-CD1 4.35Å; R10-V165 HydrophobicContact CB-CG2 4.38Å; R10-D230 IonicContact CZ-OD1 2.96Å; R10-D230 IonicContact NE-OD1 3.29Å; R10-D230 PolarHBondContact NE-OD1 3.02Å; R10-D230 IonicContact NH2-OD1 3.64Å; R10-D230 PolarHBondContact NH2-OD1 3.27Å
11W77.3Confident78.8Confident30 Ų3045.1 Ų45.111%0.11423%0.226CC..  trans-112.8156172.2-66.872.2000109.4G3 M4 M6 R9 V13 L153 F157G3-W11 CarbonylContact C-O 3.59Å; G3-W11 WeakPolarHBondContact CA-O 3.25Å; M4-W11 PolarHBondContact O-N 3.11Å; M6-W11 HydrophobicContact CE-CD2 4.23Å; M6-W11 HydrophobicContact CE-CG 4.2Å; R9-W11 VanDerWaalsContact O-CD1 3.23Å; W11-V13 PolarHBondContact O-N 3Å; W11-L153 HydrophobicContact CH2-CD2 4.15Å; W11-L153 HydrophobicContact CZ3-CD2 4.05Å; W11-F157 HydrophobicContact CE3-CB 4.41Å; W11-F157 AromaticContact CH2-CD2 3.93Å; W11-F157 HydrophobicContact CH2-CD2 3.93Å; W11-F157 HydrophobicContact CZ2-CD2 4.49Å; W11-F157 HydrophobicContact CZ3-CB 3.96Å; W11-F157 HydrophobicContact CZ3-CD2 4.07Å
12S70.9Confident80.2Confident24 Ų2444.2 Ų44.217%0.16822%0.222CC..SBendtrans-8539.1-179.4740000112.7T156 R197 V232S12-T156 PolarHBondContact N-O 3.15Å; S12-T156 PolarHBondContact OG-O 3.42Å; S12-R197 VanDerWaalsContact CB-NH1 3.3Å; S12-R197 VanDerWaalsContact OG-CZ 3.26Å; S12-R197 PolarHBondContact OG-NH1 3.27Å; S12-R197 PolarHBondContact OG-NH2 3.05Å; S12-V232 WeakPolarHBondContact O-CG1 3.3Å
13V79.8Confident81.4Confident27 Ų2744.3 Ų44.316%0.16422%0.219CC..  trans-144.1131.8-174.11540000107.9M4 W11 D17 L18 T156M4-V13 WeakPolarHBondContact CB-O 3.42Å; M4-V13 PolarHBondContact N-O 2.93Å; W11-V13 PolarHBondContact O-N 3Å; V13-D17 HydrophobicContact CG1-CB 4.27Å; V13-L18 HydrophobicContact CG1-CD2 4.03Å; V13-L18 HydrophobicContact CG1-CG 4.33Å; V13-T156 HydrophobicContact CG2-CG2 3.41Å; V13-T156 VanDerWaalsContact CG2-CG2 3.41Å
14G82.1Confident82.2Confident4 Ų450.2 Ų50.24%0.04124%0.244CC..  trans-82.6160.2171.200000111.6D16 D17G14-D16 PolarHBondContact O-N 3.05Å; G14-D17 WeakPolarHBondContact CA-OD2 3.5Å; G14-D17 PolarHBondContact N-OD2 3.21Å; G14-D17 PolarHBondContact O-N 3.08Å
15S83.4Confident82.6Confident17 Ų1750.7 Ų50.712%0.11925%0.247CC..THydrogen-bonded Turntrans-65.9-15.5175.752.20000113.9S80 R91S15-S80 WeakPolarHBondContact O-CA 3.5Å; S15-S80 WeakPolarHBondContact O-CB 3.3Å; S15-S80 PolarHBondContact O-OG 3.06Å; S15-R91 VanDerWaalsContact OG-CB 3.27Å; S15-R91 WeakPolarHBondContact OG-CB 3.34Å; S15-R91 WeakPolarHBondContact OG-CD 3.47Å; S15-R91 PolarHBondContact OG-NE 3.46Å
16D84Confident83.1Confident12 Ų1249.9 Ų49.96%0.06424%0.238CC..THydrogen-bonded Turntrans-94.1-11.2177.342.47000114.4G14 L18 R91 K551G14-D16 PolarHBondContact O-N 3.05Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-R91 IonicContact OD2-CZ 3.42Å; D16-R91 IonicContact OD2-NE 3.85Å; D16-R91 IonicContact OD2-NH2 3.58Å; D16-R91 PolarHBondContact OD2-NH2 3.24Å; D16-K551 HydrophobicContact CB-CB 4.48Å; D16-K551 WeakPolarHBondContact OD1-CE 3.45Å; D16-K551 IonicContact OD1-NZ 2.83Å; D16-K551 PolarHBondContact OD1-NZ 3.1Å; D16-K551 WeakPolarHBondContact OD2-CE 3.33Å; D16-K551 IonicContact OD2-NZ 3.29Å
17D84.1Confident83.7Confident31 Ų3153.4 Ų53.417%0.16626%0.257CS..THydrogen-bonded Turntrans-76.1-23.4176.5-65.7-49.1000112.9V13 G14 V19 P21 V232 S234 K551V13-D17 HydrophobicContact CG1-CB 4.27Å; G14-D17 WeakPolarHBondContact CA-OD2 3.5Å; G14-D17 PolarHBondContact N-OD2 3.21Å; G14-D17 PolarHBondContact O-N 3.08Å; D17-V19 PolarHBondContact O-N 2.91Å; D17-V19 VanDerWaalsContact O-N 3.14Å; D17-P21 WeakPolarHBondContact O-CD 3.44Å; D17-V232 WeakPolarHBondContact OD2-CG1 3.47Å; D17-S234 WeakPolarHBondContact OD1-CB 3.02Å; D17-S234 PolarHBondContact OD1-OG 2.93Å; D17-S234 PolarHBondContact OD2-OG 3.26Å; D17-K551 VanDerWaalsContact CG-NZ 3.3Å; D17-K551 WeakPolarHBondContact OD1-CE 3.31Å; D17-K551 IonicContact OD1-NZ 2.75Å; D17-K551 PolarHBondContact OD1-NZ 2.79Å; D17-K551 IonicContact OD2-NZ 3.18Å; D17-K551 PolarHBondContact OD2-NZ 2.92Å
18L87.1Confident84Confident35 Ų3550 Ų5018%0.18324%0.243CC..THydrogen-bonded Turntrans-71-7-174-61175.4000113.9M4 V13 D16 L20 A22 I76 V94 I98M4-L18 HydrophobicContact CE-CD1 3.84Å; V13-L18 HydrophobicContact CG1-CD2 4.03Å; V13-L18 HydrophobicContact CG1-CG 4.33Å; D16-L18 VanDerWaalsContact C-N 3.31Å; L18-L20 PolarHBondContact O-N 2.91Å; L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.38Å; L18-I76 HydrophobicContact CB-CG2 3.82Å; L18-I76 HydrophobicContact CD1-CG2 4.39Å; L18-V94 HydrophobicContact CD1-CG1 3.88Å; L18-I98 HydrophobicContact CD1-CD1 3.57Å; L18-I98 HydrophobicContact CD1-CG1 4.3Å
19V86.4Confident84.6Confident11 Ų1139.5 Ų39.57%0.06720%0.204CC..Hα-helixtrans-57.5-46.6175.7-179.70000111.5D17 L23 M77 M81 W552D17-V19 PolarHBondContact O-N 2.91Å; D17-V19 VanDerWaalsContact O-N 3.14Å; V19-L23 VanDerWaalsContact O-CB 3.29Å; V19-L23 WeakPolarHBondContact O-CB 3.35Å; V19-L23 PolarHBondContact O-N 2.94Å; V19-M77 HydrophobicContact CG1-CG 4.37Å; V19-M81 HydrophobicContact CG1-CG 3.9Å; V19-M81 HydrophobicContact CG2-CG 3.79Å; V19-W552 HydrophobicContact CG1-CB 4.33Å
20L83.1Confident85.1Confident109 Ų10939.4 Ų39.457%0.57121%0.209SC*.Hα-helixtrans-75.5-45.4-176.5-64176.1000113.1L18 A22 L23 F24L18-L20 PolarHBondContact O-N 2.91Å; L20-A22 PolarHBondContact O-N 3.34Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-F24 PolarHBondContact O-N 3.04Å
21P84.6Confident85.6Confident54 Ų5443.9 Ų43.935%0.35123%0.233SC..Hα-helixtrans-60-41.3171.7-25.435.3000113.5D17 F24 L25D17-P21 WeakPolarHBondContact O-CD 3.44Å; P21-F24 PolarHBondContact O-N 2.97Å; P21-L25 WeakPolarHBondContact O-CG 3.49Å; P21-L25 PolarHBondContact O-N 3.39Å
22A87.8Confident86Confident6 Ų646.3 Ų46.35%0.0524%0.242CC..Hα-helixtrans-66-40.9177.600000111.8L18 L20 F26 I76 M77L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.38Å; L20-A22 PolarHBondContact O-N 3.34Å; A22-F26 WeakPolarHBondContact O-CB 3.48Å; A22-F26 PolarHBondContact O-N 3.18Å; A22-I76 HydrophobicContact CB-CB 4.34Å; A22-I76 HydrophobicContact CB-CG2 3.93Å; A22-M77 HydrophobicContact CB-CB 4.15Å
23L88.7Confident87Confident66 Ų6647.1 Ų47.135%0.34624%0.244SC..Hα-helixtrans-63.4-41.2174.7178.861000112.2V19 L20 L27 M77V19-L23 VanDerWaalsContact O-CB 3.29Å; V19-L23 WeakPolarHBondContact O-CB 3.35Å; V19-L23 PolarHBondContact O-N 2.94Å; L20-L23 PolarHBondContact O-N 3.2Å; L23-L27 HydrophobicContact CD1-CD1 4.11Å; L23-L27 HydrophobicContact CD1-CG 4.17Å; L23-L27 HydrophobicContact CG-CD1 4.15Å; L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.15Å; L23-M77 HydrophobicContact CB-SD 4.02Å; L23-M77 HydrophobicContact CD1-SD 4.01Å
24F87.5Confident87.5Confident127 Ų12750.1 Ų50.156%0.55726%0.263SS*.Hα-helixtrans-63.6-48.9177.1176.2-97000112L20 P21 L27 L28L20-F24 PolarHBondContact O-N 3.04Å; P21-F24 PolarHBondContact O-N 2.97Å; F24-L27 PolarHBondContact O-N 3.3Å; F24-L28 HydrophobicContact CE1-CD1 4.39Å; F24-L28 HydrophobicContact CZ-CD1 4.42Å; F24-L28 WeakPolarHBondContact O-CB 3.4Å; F24-L28 PolarHBondContact O-N 2.99Å
25L88.3Confident87.8Confident29 Ų2953.2 Ų53.215%0.15228%0.28CS..Hα-helixtrans-63.2-43176.7-70.1173000111.5P21 L27 L28 H29 E73P21-L25 WeakPolarHBondContact O-CG 3.49Å; P21-L25 PolarHBondContact O-N 3.39Å; L25-L27 PolarHBondContact O-N 2.69Å; L25-L28 PolarHBondContact O-N 3.16Å; L25-H29 WeakPolarHBondContact O-CB 3.48Å; L25-H29 PolarHBondContact O-N 3.39Å; L25-H29 PolarHBondContact O-ND1 2.82Å; L25-E73 HydrophobicContact CB-CG 4.42Å
26F91.8Very high87.9Confident52 Ų5252.7 Ų52.723%0.22828%0.276CS..Hα-helixtrans-58.2-47.5176.4176.5-89.9000111.9A22 L28 H29 C30 L70 E73 S74A22-F26 WeakPolarHBondContact O-CB 3.48Å; A22-F26 PolarHBondContact O-N 3.18Å; F26-L28 PolarHBondContact O-N 3.4Å; F26-H29 PolarHBondContact O-N 2.98Å; F26-C30 WeakPolarHBondContact O-CB 3.44Å; F26-C30 PolarHBondContact O-N 2.8Å; F26-C30 PolarHBondContact O-SG 2.91Å; F26-C30 VanDerWaalsContact O-SG 3.36Å; F26-L70 HydrophobicContact CB-CD2 4.49Å; F26-L70 HydrophobicContact CD2-CB 4.5Å; F26-L70 HydrophobicContact CD2-CD2 3.46Å; F26-L70 VanDerWaalsContact CD2-CD2 3.46Å; F26-L70 HydrophobicContact CE2-CB 4.48Å; F26-L70 HydrophobicContact CE2-CD2 3.76Å; F26-L70 HydrophobicContact CG-CD2 4.02Å; F26-L70 WeakPolarHBondContact O-CD2 2.92Å; F26-E73 HydrophobicContact CB-CB 4.34Å; F26-E73 PolarHBondContact N-OE2 3.25Å; F26-S74 VanDerWaalsContact CE2-OG 3.28Å; F26-S74 WeakPolarHBondContact CE2-OG 3.48Å
27L90.7Very high88.2Confident95 Ų9553.8 Ų53.850%0.49729%0.285SS..Hα-helixtrans-62.9-41.9177.6-72.5170.8000112L23 F24 L25 C30 I31L23-L27 HydrophobicContact CD1-CD1 4.11Å; L23-L27 HydrophobicContact CD1-CG 4.17Å; L23-L27 HydrophobicContact CG-CD1 4.15Å; L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.15Å; F24-L27 PolarHBondContact O-N 3.3Å; L25-L27 PolarHBondContact O-N 2.69Å; L27-C30 PolarHBondContact O-N 2.96Å; L27-I31 WeakPolarHBondContact O-CG1 3.39Å; L27-I31 PolarHBondContact O-N 2.87Å
28L88.3Confident88.4Confident43 Ų4356.9 Ų56.923%0.22530%0.304CS..Hα-helixtrans-63.5-48176.4-177.1147.9000111.3F24 L25 F26 C30 I31 W32 V145F24-L28 HydrophobicContact CE1-CD1 4.39Å; F24-L28 HydrophobicContact CZ-CD1 4.42Å; F24-L28 WeakPolarHBondContact O-CB 3.4Å; F24-L28 PolarHBondContact O-N 2.99Å; L25-L28 PolarHBondContact O-N 3.16Å; F26-L28 PolarHBondContact O-N 3.4Å; L28-C30 VanDerWaalsContact C-N 3.34Å; L28-C30 PolarHBondContact O-N 3.17Å; L28-I31 PolarHBondContact O-N 2.61Å; L28-W32 VanDerWaalsContact O-CD1 3.23Å; L28-W32 PolarHBondContact O-N 2.77Å; L28-V145 HydrophobicContact CD2-CG2 3.61Å
29H90.6Very high88.2Confident0 Ų056.8 Ų56.80%031%0.306CS..Hα-helixtrans-66.4-32.2176.8-66.1138.6000112.5L25 F26 W32 L33 L66 L70 E73L25-H29 WeakPolarHBondContact O-CB 3.48Å; L25-H29 PolarHBondContact O-N 3.39Å; L25-H29 PolarHBondContact O-ND1 2.82Å; F26-H29 PolarHBondContact O-N 2.98Å; H29-W32 PolarHBondContact O-N 2.98Å; H29-L33 WeakPolarHBondContact O-CB 3.41Å; H29-L33 PolarHBondContact O-N 2.82Å; H29-L66 HydrophobicContact CB-CD2 4.27Å; H29-L70 HydrophobicContact CB-CD2 3.67Å; H29-L70 HydrophobicContact CB-CG 3.95Å; H29-E73 IonicContact CE1-OE1 3.69Å; H29-E73 PolarHBondContact CE1-OE1 3.22Å; H29-E73 VanDerWaalsContact CE1-OE1 3.3Å; H29-E73 IonicContact CE1-OE2 3.01Å; H29-E73 IonicContact CG-OE2 3.3Å; H29-E73 IonicContact ND1-OE1 2.78Å; H29-E73 PolarHBondContact ND1-OE1 3.03Å; H29-E73 IonicContact ND1-OE2 2.8Å; H29-E73 PolarHBondContact ND1-OE2 3.29Å
30C92Very high88.1Confident38 Ų3856.8 Ų56.826%0.25731%0.305SS..Hα-helixtrans-63.7-44.7171.8-81.60000112F26 L27 L28 L33 V34 L70F26-C30 WeakPolarHBondContact O-CB 3.44Å; F26-C30 PolarHBondContact O-N 2.8Å; F26-C30 PolarHBondContact O-SG 2.91Å; F26-C30 VanDerWaalsContact O-SG 3.36Å; L27-C30 PolarHBondContact O-N 2.96Å; L28-C30 VanDerWaalsContact C-N 3.34Å; L28-C30 PolarHBondContact O-N 3.17Å; C30-L33 PolarHBondContact O-N 3.07Å; C30-V34 WeakPolarHBondContact O-CG2 3.23Å; C30-V34 PolarHBondContact O-N 2.94Å; C30-L70 VanDerWaalsContact SG-CD2 3.58Å
31I90.1Very high88.2Confident111 Ų11158.3 Ų58.357%0.56931%0.307SS*.Hα-helixtrans-60.2-48.1176-68.1162.9000109.9L27 L28 V34 V35L27-I31 WeakPolarHBondContact O-CG1 3.39Å; L27-I31 PolarHBondContact O-N 2.87Å; L28-I31 PolarHBondContact O-N 2.61Å; I31-V34 PolarHBondContact O-N 2.7Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 3.42Å
32W86Confident87.9Confident82 Ų8258.5 Ų58.531%0.31132%0.319SS..Hα-helixtrans-68-34.4179-77.6108.5000113.8L28 H29 V34 V35 L36 L66 C141L28-W32 VanDerWaalsContact O-CD1 3.23Å; L28-W32 PolarHBondContact O-N 2.77Å; H29-W32 PolarHBondContact O-N 2.98Å; W32-V34 VanDerWaalsContact C-N 3.35Å; W32-V35 HydrophobicContact CE3-CB 4.46Å; W32-V35 HydrophobicContact CE3-CG1 4.32Å; W32-V35 HydrophobicContact CZ3-CG1 4.29Å; W32-V35 PolarHBondContact O-N 3.18Å; W32-L36 WeakPolarHBondContact O-CB 3.3Å; W32-L36 PolarHBondContact O-N 3.43Å; W32-L66 HydrophobicContact CB-CD1 4.45Å; W32-C141 HydrophobicContact CD2-CB 3.98Å; W32-C141 VanDerWaalsContact CD2-SG 3.55Å; W32-C141 VanDerWaalsContact CE2-SG 3.53Å; W32-C141 HydrophobicContact CE3-CB 4.25Å; W32-C141 VanDerWaalsContact CG-SG 3.55Å; W32-C141 HydrophobicContact CH2-CB 4.05Å; W32-C141 HydrophobicContact CZ2-CB 3.77Å; W32-C141 HydrophobicContact CZ3-CB 4.28Å; W32-C141 PolarHBondContact NE1-SG 3.37Å
33L90.7Very high87.5Confident41 Ų4162.1 Ų62.122%0.21534%0.337CS..Hα-helixtrans-60.7-44.4172.6-170.485.3000110.9H29 C30 S37 L63 L66 V67 L70H29-L33 WeakPolarHBondContact O-CB 3.41Å; H29-L33 PolarHBondContact O-N 2.82Å; C30-L33 PolarHBondContact O-N 3.07Å; L33-S37 VanDerWaalsContact O-CB 3.22Å; L33-S37 WeakPolarHBondContact O-CB 3.43Å; L33-S37 PolarHBondContact O-N 2.7Å; L33-S37 PolarHBondContact O-OG 3.16Å; L33-L63 HydrophobicContact CD1-CD1 3.6Å; L33-L63 HydrophobicContact CD1-CG 4.28Å; L33-L63 HydrophobicContact CG-CD1 4.27Å; L33-L66 HydrophobicContact CD1-CB 3.91Å; L33-V67 HydrophobicContact CD1-CG2 3.71Å; L33-L70 HydrophobicContact CB-CD1 4.29Å; L33-L70 HydrophobicContact CD1-CD1 4.36Å; L33-L70 HydrophobicContact CD2-CD1 3.85Å; L33-L70 HydrophobicContact CG-CD1 4.4Å
34V90.8Very high86.9Confident90 Ų9070.9 Ų70.955%0.54537%0.366SS..Hα-helixtrans-65.1-51177171.70000110.7C30 I31 W32 L36 S37 V38C30-V34 WeakPolarHBondContact O-CG2 3.23Å; C30-V34 PolarHBondContact O-N 2.94Å; I31-V34 PolarHBondContact O-N 2.7Å; W32-V34 VanDerWaalsContact C-N 3.35Å; V34-L36 PolarHBondContact O-N 3.35Å; V34-S37 PolarHBondContact O-N 2.67Å; V34-V38 HydrophobicContact CG1-CG2 4.37Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.18Å; V34-V38 PolarHBondContact O-N 2.67Å
35V87.6Confident86.2Confident68 Ų6867.1 Ų67.141%0.41235%0.348SS..Hα-helixtrans-57.3-49.1178.9170.40000111.2I31 W32 S37 V38 V39I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 3.42Å; W32-V35 HydrophobicContact CE3-CB 4.46Å; W32-V35 HydrophobicContact CE3-CG1 4.32Å; W32-V35 HydrophobicContact CZ3-CG1 4.29Å; W32-V35 PolarHBondContact O-N 3.18Å; V35-S37 PolarHBondContact O-N 3.43Å; V35-V38 PolarHBondContact O-N 2.99Å; V35-V39 WeakPolarHBondContact O-CB 3.5Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.46Å; V35-V39 PolarHBondContact O-N 3.42Å
36L86.9Confident85.3Confident6 Ų667.6 Ų67.63%0.03136%0.36CS..Hα-helixtrans-64.6-39.8-179.9-174.662.9000111.9W32 V34 V39 L40 Y62 L63 L66 L134 I138W32-L36 WeakPolarHBondContact O-CB 3.3Å; W32-L36 PolarHBondContact O-N 3.43Å; V34-L36 PolarHBondContact O-N 3.35Å; L36-V39 PolarHBondContact O-N 2.92Å; L36-L40 HydrophobicContact CD1-CD1 3.74Å; L36-L40 HydrophobicContact CD1-CG 3.96Å; L36-L40 HydrophobicContact CD2-CD1 4.41Å; L36-L40 HydrophobicContact CG-CD1 3.71Å; L36-L40 HydrophobicContact CG-CG 4.27Å; L36-L40 VanDerWaalsContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CB 3.43Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.46Å; L36-Y62 HydrophobicContact CD2-CD1 3.78Å; L36-L63 HydrophobicContact CB-CD1 4.4Å; L36-L63 HydrophobicContact CD2-CB 4.03Å; L36-L63 HydrophobicContact CD2-CD1 3.92Å; L36-L63 HydrophobicContact CG-CD1 4.18Å; L36-L66 HydrophobicContact CD2-CD1 3.79Å; L36-L134 HydrophobicContact CD1-CD1 3.9Å; L36-I138 HydrophobicContact CD1-CD1 3.94Å; L36-I138 HydrophobicContact CD1-CG1 4.21Å
37S89.1Confident84.1Confident36 Ų3669.6 Ų69.625%0.25238%0.381SS..Hα-helixtrans-66.7-45.7177.1-59.50000112.1L33 V34 V35 V39 L40 F41 L63L33-S37 VanDerWaalsContact O-CB 3.22Å; L33-S37 WeakPolarHBondContact O-CB 3.43Å; L33-S37 PolarHBondContact O-N 2.7Å; L33-S37 PolarHBondContact O-OG 3.16Å; V34-S37 PolarHBondContact O-N 2.67Å; V35-S37 PolarHBondContact O-N 3.43Å; S37-V39 VanDerWaalsContact C-N 3.27Å; S37-V39 PolarHBondContact O-N 3.04Å; S37-L40 PolarHBondContact O-N 3.21Å; S37-F41 WeakPolarHBondContact O-CB 3.35Å; S37-F41 WeakPolarHBondContact O-CD2 3.38Å; S37-F41 PolarHBondContact O-N 3.44Å; S37-L63 WeakPolarHBondContact OG-CD1 3.18Å
38V88.2Confident83Confident95 Ų9572.3 Ų72.358%0.57640%0.396SS*.Hα-helixtrans-60.1-40.7176.7169.40000110.7V34 V35 G42V34-V38 HydrophobicContact CG1-CG2 4.37Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.18Å; V34-V38 PolarHBondContact O-N 2.67Å; V35-V38 PolarHBondContact O-N 2.99Å; V38-G42 WeakPolarHBondContact O-CA 3.5Å; V38-G42 PolarHBondContact O-N 3.16Å
39V83.8Confident82.4Confident34 Ų3473.7 Ų73.721%0.20640%0.403CS..Hα-helixtrans-72.7-45.6179.1171.10000112.1V35 L36 S37 L43 Y45 L134V35-V39 WeakPolarHBondContact O-CB 3.5Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.46Å; V35-V39 PolarHBondContact O-N 3.42Å; L36-V39 PolarHBondContact O-N 2.92Å; S37-V39 VanDerWaalsContact C-N 3.27Å; S37-V39 PolarHBondContact O-N 3.04Å; V39-L43 HydrophobicContact CG1-CD1 4.11Å; V39-L43 WeakPolarHBondContact O-CB 3.31Å; V39-Y45 WeakPolarHBondContact CG1-OH 3.43Å; V39-Y45 WeakPolarHBondContact O-CE2 3.36Å; V39-Y45 PolarHBondContact O-OH 3.45Å; V39-L134 HydrophobicContact CG1-CB 4.41Å; V39-L134 HydrophobicContact CG1-CD1 3.78Å; V39-L134 HydrophobicContact CG1-CD2 3.82Å; V39-L134 HydrophobicContact CG1-CG 4.2Å
40L83.5Confident81.8Confident11 Ų1177.6 Ų77.66%0.05843%0.43CS..Hα-helixtrans-73.2-30.6-177.2-70.8175.3000114.5L36 S37 V56 G59 L134L36-L40 HydrophobicContact CD1-CD1 3.74Å; L36-L40 HydrophobicContact CD1-CG 3.96Å; L36-L40 HydrophobicContact CD2-CD1 4.41Å; L36-L40 HydrophobicContact CG-CD1 3.71Å; L36-L40 HydrophobicContact CG-CG 4.27Å; L36-L40 VanDerWaalsContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CB 3.43Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 3.46Å; S37-L40 PolarHBondContact O-N 3.21Å; L40-V56 HydrophobicContact CD2-CG1 4.48Å; L40-V56 HydrophobicContact CD2-CG2 4.45Å; L40-G59 VanDerWaalsContact CD1-C 3.42Å; L40-L134 HydrophobicContact CD2-CD2 4.1Å
41F84.8Confident81.3Confident141 Ų14176 Ų7662%0.61842%0.419SS*.Hα-helixtrans-109.8-21.8-176.6-60.9-70.6000114S37 L63S37-F41 WeakPolarHBondContact O-CB 3.35Å; S37-F41 WeakPolarHBondContact O-CD2 3.38Å; S37-F41 PolarHBondContact O-N 3.44Å; F41-L63 HydrophobicContact CE2-CD2 3.92Å; F41-L63 HydrophobicContact CZ-CD2 4.36Å
42G79.4Confident80.8Confident58 Ų5870.8 Ų70.860%0.59839%0.393SS*.Hα-helixtrans-90-20.8179.700000114.7V38V38-G42 WeakPolarHBondContact O-CA 3.5Å; V38-G42 PolarHBondContact O-N 3.16Å
43L79Confident80.6Confident81 Ų8169.8 Ų69.842%0.42440%0.396SS..SBendtrans-102.1145.5-179.8-54.5-176.4000111.5V39 Y45 T130V39-L43 HydrophobicContact CG1-CD1 4.11Å; V39-L43 WeakPolarHBondContact O-CB 3.31Å; L43-Y45 HydrophobicContact CB-CE2 4.18Å; L43-Y45 WeakPolarHBondContact O-CD2 3.23Å; L43-T130 HydrophobicContact CD1-CG2 3.49Å; L43-T130 VanDerWaalsContact CD1-CG2 3.49Å
44R75.4Confident80.3Confident251 Ų25170.6 Ų70.695%0.94740%0.402SS*.  trans-90.7107.8176.3-69.4-175.8179.3179.1-0.1110
45Y73.8Confident79.9Confident47 Ų4766.3 Ų66.318%0.18438%0.376CS..  trans-81.9146.2173.6-63.6-84.5000111.2V39 L43 S47 S52 V56V39-Y45 WeakPolarHBondContact CG1-OH 3.43Å; V39-Y45 WeakPolarHBondContact O-CE2 3.36Å; V39-Y45 PolarHBondContact O-OH 3.45Å; L43-Y45 HydrophobicContact CB-CE2 4.18Å; L43-Y45 WeakPolarHBondContact O-CD2 3.23Å; Y45-S47 PolarHBondContact O-N 3.43Å; Y45-S52 WeakPolarHBondContact CD1-OG 3.27Å; Y45-V56 HydrophobicContact CD1-CG2 3.71Å; Y45-V56 HydrophobicContact CD2-CG2 3.63Å; Y45-V56 HydrophobicContact CE1-CG2 3.99Å; Y45-V56 HydrophobicContact CE2-CG2 3.95Å; Y45-V56 HydrophobicContact CG-CG2 3.51Å
46G69.1Low79.7Confident40 Ų4063.6 Ų63.641%0.41236%0.36SS..  trans-74.5112.9176.100000111.1D48G46-D48 PolarHBondContact O-N 2.93Å; G46-D48 VanDerWaalsContact O-N 3.16Å
47S66.3Low79.7Confident94 Ų9467 Ų6766%0.65738%0.378SS*.THydrogen-bonded Turntrans-56.2-28.5177.341.10000113.7Y45 L49Y45-S47 PolarHBondContact O-N 3.43Å; S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3.5Å
48D68.6Low79.6Confident152 Ų15266 Ų6681%0.81337%0.37SS*.THydrogen-bonded Turntrans-88.9-3.8-163.6-42.2-25.9000112.2G46G46-D48 PolarHBondContact O-N 2.93Å; G46-D48 VanDerWaalsContact O-N 3.16Å
49L74.8Confident79.5Confident71 Ų7161.5 Ų61.537%0.37234%0.342SS..  trans-115.7111.9-177.6-150.277.4000110.8S47 C51 S52 V53S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3.5Å; L49-C51 HydrophobicContact CD2-CB 4.23Å; L49-C51 HydrophobicContact CG-CB 4.42Å; L49-C51 PolarHBondContact O-N 3.25Å; L49-C51 VanDerWaalsContact O-N 3.13Å; L49-S52 WeakPolarHBondContact O-CB 3.25Å; L49-S52 PolarHBondContact O-N 3.12Å; L49-V53 PolarHBondContact O-N 2.96Å
50S79.1Confident79.7Confident83 Ų8366.1 Ų66.158%0.5836%0.356SS*.Hα-helixtrans-56.6-30.8-177.755.60000114.2T54S50-T54 WeakPolarHBondContact O-CB 3.25Å; S50-T54 WeakPolarHBondContact O-CG2 3.37Å; S50-T54 PolarHBondContact O-N 3.44Å; S50-T54 PolarHBondContact O-OG1 3.38Å
51C80.4Confident80Confident4 Ų466.9 Ų66.93%0.02737%0.366CS..Hα-helixtrans-52.3-52.1167.5162.70000112.2L49 T54 L55 W118 Y122 C126L49-C51 HydrophobicContact CD2-CB 4.23Å; L49-C51 HydrophobicContact CG-CB 4.42Å; L49-C51 PolarHBondContact O-N 3.25Å; L49-C51 VanDerWaalsContact O-N 3.13Å; C51-T54 PolarHBondContact O-OG1 2.96Å; C51-T54 VanDerWaalsContact O-OG1 3.07Å; C51-L55 WeakPolarHBondContact O-CB 3.33Å; C51-L55 PolarHBondContact O-N 2.89Å; C51-W118 HydrophobicContact CB-CZ2 4.46Å; C51-W118 WeakPolarHBondContact O-CZ2 3.17Å; C51-W118 WeakPolarHBondContact SG-CZ2 3.47Å; C51-Y122 HydrophobicContact CB-CD1 4.21Å; C51-C126 HydrophobicContact CB-CB 3.8Å; C51-C126 WeakPolarHBondContact CB-SG 3.39Å; C51-C126 WeakPolarHBondContact SG-CB 3.25Å; C51-C126 CovalentContact SG-SG 2.03Å; C51-C126 PolarHBondContact SG-SG 2.87Å
52S80.3Confident80.2Confident1 Ų160.3 Ų60.31%0.00734%0.338CS..Hα-helixtrans-68.9-42.6-173.1-151.60000110.5Y45 L49 L55 V56 D128Y45-S52 WeakPolarHBondContact CD1-OG 3.27Å; L49-S52 WeakPolarHBondContact O-CB 3.25Å; L49-S52 PolarHBondContact O-N 3.12Å; S52-L55 PolarHBondContact O-N 3.22Å; S52-V56 VanDerWaalsContact O-CG2 3.31Å; S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.44Å; S52-D128 PolarHBondContact OG-OD2 2.81Å
53V81.9Confident80.8Confident62 Ų6259 Ų5938%0.37632%0.317SS..Hα-helixtrans-61.4-51.5176-177.40000111.8L49 L55 V56 D57L49-V53 PolarHBondContact O-N 2.96Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.13Å; V53-V56 PolarHBondContact O-N 2.66Å; V53-V56 VanDerWaalsContact O-N 3.16Å; V53-D57 PolarHBondContact O-N 3.14Å
54T84.3Confident81.4Confident57 Ų5757 Ų5735%0.3532%0.315SS..Hα-helixtrans-63-34.1-179.652.60000112.9S50 C51 H58 W118S50-T54 WeakPolarHBondContact O-CB 3.25Å; S50-T54 WeakPolarHBondContact O-CG2 3.37Å; S50-T54 PolarHBondContact O-N 3.44Å; S50-T54 PolarHBondContact O-OG1 3.38Å; C51-T54 PolarHBondContact O-OG1 2.96Å; C51-T54 VanDerWaalsContact O-OG1 3.07Å; T54-H58 WeakPolarHBondContact O-CB 3.44Å; T54-H58 PolarHBondContact O-N 3.08Å; T54-W118 PolarHBondContact OG1-NE1 3.21Å; T54-W118 VanDerWaalsContact OG1-NE1 3.1Å
55L82Confident82.2Confident1 Ų145.9 Ų45.91%0.00527%0.274CS..Hα-helixtrans-69.3-41.1173.7-177.662.9000112.6C51 S52 V53 D57 H58 G59 W118 A131 L134 A135C51-L55 WeakPolarHBondContact O-CB 3.33Å; C51-L55 PolarHBondContact O-N 2.89Å; S52-L55 PolarHBondContact O-N 3.22Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.13Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 3.01Å; L55-H58 WeakPolarHBondContact O-CB 3.41Å; L55-H58 PolarHBondContact O-N 2.66Å; L55-G59 PolarHBondContact O-N 2.62Å; L55-W118 HydrophobicContact CB-CH2 4.23Å; L55-W118 HydrophobicContact CB-CZ2 3.66Å; L55-W118 HydrophobicContact CD1-CD2 4.4Å; L55-W118 HydrophobicContact CD1-CE3 4.37Å; L55-W118 HydrophobicContact CD1-CH2 4.33Å; L55-W118 HydrophobicContact CD1-CZ2 4.32Å; L55-W118 HydrophobicContact CD1-CZ3 4.35Å; L55-W118 HydrophobicContact CD2-CH2 4Å; L55-W118 HydrophobicContact CD2-CZ2 4.27Å; L55-W118 HydrophobicContact CG-CH2 4.42Å; L55-W118 HydrophobicContact CG-CZ2 4.3Å; L55-A131 HydrophobicContact CD2-CB 3.49Å; L55-A131 VanDerWaalsContact CD2-CB 3.49Å; L55-A131 WeakPolarHBondContact CD2-O 3.44Å; L55-L134 HydrophobicContact CD2-CB 4.33Å; L55-L134 HydrophobicContact CD2-CD2 4.02Å; L55-L134 HydrophobicContact CD2-CG 4.33Å; L55-L134 HydrophobicContact CG-CD2 4.25Å; L55-A135 HydrophobicContact CD1-CB 3.75Å; L55-A135 HydrophobicContact CD2-CB 4.28Å
56V84.1Confident83Confident10 Ų1043.6 Ų43.66%0.06127%0.266CS..Hα-helixtrans-64-38.6178.1168.80000110.6L40 Y45 S52 V53 G59 R60L40-V56 HydrophobicContact CD2-CG1 4.48Å; L40-V56 HydrophobicContact CD2-CG2 4.45Å; Y45-V56 HydrophobicContact CD1-CG2 3.71Å; Y45-V56 HydrophobicContact CD2-CG2 3.63Å; Y45-V56 HydrophobicContact CE1-CG2 3.99Å; Y45-V56 HydrophobicContact CE2-CG2 3.95Å; Y45-V56 HydrophobicContact CG-CG2 3.51Å; S52-V56 VanDerWaalsContact O-CG2 3.31Å; S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.44Å; V53-V56 PolarHBondContact O-N 2.66Å; V53-V56 VanDerWaalsContact O-N 3.16Å; V56-G59 PolarHBondContact O-N 2.81Å; V56-R60 VanDerWaalsContact CG1-CZ 3.43Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.38Å; V56-R60 PolarHBondContact O-N 3.2Å
57D85.8Confident84.1Confident78 Ų7844.8 Ų44.842%0.41726%0.264SS..Hα-helixtrans-69.8-36.3174-71.6-31.7000113.1V53 L55 R60 G61V53-D57 PolarHBondContact O-N 3.14Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 3.01Å; D57-R60 PolarHBondContact O-N 2.85Å; D57-R60 WeakPolarHBondContact OD1-CD 3.41Å; D57-R60 IonicContact OD1-CZ 2.72Å; D57-R60 IonicContact OD1-NE 3.96Å; D57-R60 IonicContact OD1-NH1 2.71Å; D57-R60 PolarHBondContact OD1-NH1 2.99Å; D57-G61 PolarHBondContact O-N 3.08Å
58H86.6Confident85.5Confident16 Ų1642.7 Ų42.77%0.07425%0.25CS..Hα-helixtrans-61.6-43.5169.1-174.877.7000111.5T54 L55 R60 G61 Y62 Y111T54-H58 WeakPolarHBondContact O-CB 3.44Å; T54-H58 PolarHBondContact O-N 3.08Å; L55-H58 WeakPolarHBondContact O-CB 3.41Å; L55-H58 PolarHBondContact O-N 2.66Å; H58-R60 PolarHBondContact O-N 3.08Å; H58-G61 PolarHBondContact O-N 2.95Å; H58-Y62 PolarHBondContact O-N 3.47Å; H58-Y111 WeakPolarHBondContact CA-OH 3.3Å; H58-Y111 AromaticContact CE1-CD1 3.39Å; H58-Y111 WeakPolarHBondContact CE1-CD1 3.47Å; H58-Y111 AromaticContact CE1-CE1 3.2Å; H58-Y111 WeakPolarHBondContact CE1-CE1 3.43Å; H58-Y111 AromaticContact CE1-CZ 3.99Å; H58-Y111 AromaticContact CG-CE1 3.82Å; H58-Y111 AromaticContact ND1-CD1 3.91Å; H58-Y111 AromaticContact ND1-CE1 3.24Å; H58-Y111 WeakPolarHBondContact ND1-CE1 3.4Å; H58-Y111 AromaticContact ND1-CZ 3.65Å; H58-Y111 AromaticContact NE2-CD1 3.9Å; H58-Y111 AromaticContact NE2-CE1 3.75Å; H58-Y111 VanDerWaalsContact O-CE1 3.3Å; H58-Y111 WeakPolarHBondContact O-CE1 3.33Å; H58-Y111 PolarHBondContact O-OH 3.09Å; H58-Y111 VanDerWaalsContact O-OH 3.12Å
59G86.8Confident86.6Confident0 Ų035.5 Ų35.50%021%0.211CC..Hα-helixtrans-62.3-42.1175.300000112.9L40 L55 V56 G61 Y62 L63L40-G59 VanDerWaalsContact CD1-C 3.42Å; L55-G59 PolarHBondContact O-N 2.62Å; V56-G59 PolarHBondContact O-N 2.81Å; G59-G61 PolarHBondContact O-N 2.95Å; G59-Y62 PolarHBondContact O-N 2.86Å; G59-L63 WeakPolarHBondContact O-CB 3.42Å; G59-L63 PolarHBondContact O-N 2.84Å
60R88.6Confident87.5Confident131 Ų13132.9 Ų32.949%0.49420%0.198SC..Hα-helixtrans-60.8-42.2174.5-73.7163.8178.81590.6111.9V56 D57 H58 L63 G64V56-R60 VanDerWaalsContact CG1-CZ 3.43Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.38Å; V56-R60 PolarHBondContact O-N 3.2Å; D57-R60 PolarHBondContact O-N 2.85Å; D57-R60 WeakPolarHBondContact OD1-CD 3.41Å; D57-R60 IonicContact OD1-CZ 2.72Å; D57-R60 IonicContact OD1-NE 3.96Å; D57-R60 IonicContact OD1-NH1 2.71Å; D57-R60 PolarHBondContact OD1-NH1 2.99Å; H58-R60 PolarHBondContact O-N 3.08Å; R60-L63 WeakPolarHBondContact O-CB 3.46Å; R60-L63 PolarHBondContact O-N 3.45Å; R60-G64 PolarHBondContact O-N 2.72Å
61G89.6Confident88.3Confident27 Ų2734.1 Ų34.128%0.27820%0.197SC..Hα-helixtrans-65.2-44.7175.100000112.7D57 H58 G59 L63 G64 I65 Y111D57-G61 PolarHBondContact O-N 3.08Å; H58-G61 PolarHBondContact O-N 2.95Å; G59-G61 PolarHBondContact O-N 2.95Å; G61-L63 VanDerWaalsContact C-N 3.31Å; G61-L63 PolarHBondContact O-N 3.2Å; G61-G64 PolarHBondContact O-N 2.76Å; G61-I65 PolarHBondContact O-N 3.45Å; G61-I65 VanDerWaalsContact O-N 3.15Å; G61-Y111 WeakPolarHBondContact CA-OH 3.23Å
62Y89.4Confident88.9Confident3 Ų334.6 Ų34.61%0.01220%0.2CC..Hα-helixtrans-64.2-34.5176.2-170.4-124.9000112.7L36 H58 G59 G64 I65 L66 Y111 I138L36-Y62 HydrophobicContact CD2-CD1 3.78Å; H58-Y62 PolarHBondContact O-N 3.47Å; G59-Y62 PolarHBondContact O-N 2.86Å; Y62-G64 VanDerWaalsContact C-N 3.34Å; Y62-G64 PolarHBondContact O-N 2.91Å; Y62-I65 HydrophobicContact CD2-CB 4.45Å; Y62-I65 WeakPolarHBondContact O-CB 3.36Å; Y62-I65 PolarHBondContact O-N 2.99Å; Y62-I65 VanDerWaalsContact O-N 3.17Å; Y62-L66 HydrophobicContact CD1-CD1 4.11Å; Y62-L66 HydrophobicContact CD1-CG 4.43Å; Y62-L66 HydrophobicContact CE1-CD1 3.92Å; Y62-L66 HydrophobicContact CE1-CD2 4.35Å; Y62-L66 HydrophobicContact CE1-CG 4.15Å; Y62-L66 WeakPolarHBondContact O-CG 3.4Å; Y62-L66 PolarHBondContact O-N 3.44Å; Y62-Y111 HydrophobicContact CD2-CD1 4.24Å; Y62-I138 HydrophobicContact CD1-CG1 4.31Å; Y62-I138 HydrophobicContact CD1-CG2 3.78Å; Y62-I138 HydrophobicContact CE1-CG2 4.02Å; Y62-I138 HydrophobicContact CG-CG2 4.22Å
63L90.4Very high89.5Confident30 Ų3034.6 Ų34.616%0.15720%0.2CC..Hα-helixtrans-59.5-42.4172.5-168.476.4000111.9L33 L36 S37 F41 G59 R60 G61 I65 L66 V67L33-L63 HydrophobicContact CD1-CD1 3.6Å; L33-L63 HydrophobicContact CD1-CG 4.28Å; L33-L63 HydrophobicContact CG-CD1 4.27Å; L36-L63 HydrophobicContact CB-CD1 4.4Å; L36-L63 HydrophobicContact CD2-CB 4.03Å; L36-L63 HydrophobicContact CD2-CD1 3.92Å; L36-L63 HydrophobicContact CG-CD1 4.18Å; S37-L63 WeakPolarHBondContact OG-CD1 3.18Å; F41-L63 HydrophobicContact CE2-CD2 3.92Å; F41-L63 HydrophobicContact CZ-CD2 4.36Å; G59-L63 WeakPolarHBondContact O-CB 3.42Å; G59-L63 PolarHBondContact O-N 2.84Å; R60-L63 WeakPolarHBondContact O-CB 3.46Å; R60-L63 PolarHBondContact O-N 3.45Å; G61-L63 VanDerWaalsContact C-N 3.31Å; G61-L63 PolarHBondContact O-N 3.2Å; L63-I65 VanDerWaalsContact C-N 3.33Å; L63-I65 PolarHBondContact O-N 3.34Å; L63-L66 PolarHBondContact O-N 3.1Å; L63-V67 WeakPolarHBondContact O-CG2 3.36Å; L63-V67 PolarHBondContact O-N 3.21Å
64G92Very high90Very high38 Ų3833.8 Ų33.839%0.39220%0.197SC..Hα-helixtrans-64.6-34.9174.600000113.4R60 G61 Y62 S68R60-G64 PolarHBondContact O-N 2.72Å; G61-G64 PolarHBondContact O-N 2.76Å; Y62-G64 VanDerWaalsContact C-N 3.34Å; Y62-G64 PolarHBondContact O-N 2.91Å; G64-S68 PolarHBondContact O-N 3.47Å; G64-S68 VanDerWaalsContact O-N 3.11Å; G64-S68 PolarHBondContact O-OG 3.48Å
65I91.6Very high90.5Very high18 Ų1832.7 Ų32.79%0.09219%0.193CC..Hα-helixtrans-66.1-49173.1-64.3169.5000110.1G61 Y62 L63 V67 S68 C69 I104 V107 E108 Y111G61-I65 PolarHBondContact O-N 3.45Å; G61-I65 VanDerWaalsContact O-N 3.15Å; Y62-I65 HydrophobicContact CD2-CB 4.45Å; Y62-I65 WeakPolarHBondContact O-CB 3.36Å; Y62-I65 PolarHBondContact O-N 2.99Å; Y62-I65 VanDerWaalsContact O-N 3.17Å; L63-I65 VanDerWaalsContact C-N 3.33Å; L63-I65 PolarHBondContact O-N 3.34Å; I65-V67 VanDerWaalsContact C-N 3.34Å; I65-V67 PolarHBondContact O-N 2.9Å; I65-S68 WeakPolarHBondContact O-CA 3.21Å; I65-S68 WeakPolarHBondContact O-CB 3.16Å; I65-S68 PolarHBondContact O-N 2.84Å; I65-C69 PolarHBondContact O-N 3.19Å; I65-C69 PolarHBondContact O-SG 3.11Å; I65-I104 HydrophobicContact CG2-CG2 4.34Å; I65-V107 HydrophobicContact CD1-CG1 4.02Å; I65-V107 HydrophobicContact CG1-CG1 4.4Å; I65-E108 HydrophobicContact CG2-CG 3.47Å; I65-E108 VanDerWaalsContact CG2-CG 3.47Å; I65-Y111 HydrophobicContact CD1-CD1 4.12Å; I65-Y111 HydrophobicContact CD1-CD2 3.63Å; I65-Y111 HydrophobicContact CD1-CE2 4.2Å; I65-Y111 HydrophobicContact CD1-CG 3.6Å
66L90.8Very high90.9Very high0 Ų033.3 Ų33.30%020%0.197CC..Hα-helixtrans-56.5-43.6177.2-72.8173000112.5H29 W32 L33 L36 Y62 L63 S68 C69 L70H29-L66 HydrophobicContact CB-CD2 4.27Å; W32-L66 HydrophobicContact CB-CD1 4.45Å; L33-L66 HydrophobicContact CD1-CB 3.91Å; L36-L66 HydrophobicContact CD2-CD1 3.79Å; Y62-L66 HydrophobicContact CD1-CD1 4.11Å; Y62-L66 HydrophobicContact CD1-CG 4.43Å; Y62-L66 HydrophobicContact CE1-CD1 3.92Å; Y62-L66 HydrophobicContact CE1-CD2 4.35Å; Y62-L66 HydrophobicContact CE1-CG 4.15Å; Y62-L66 WeakPolarHBondContact O-CG 3.4Å; Y62-L66 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.1Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3.42Å; L66-C69 PolarHBondContact O-N 3.09Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 3.05Å
67V93.9Very high91.2Very high64 Ų6434.6 Ų34.639%0.38820%0.202SC..Hα-helixtrans-61.4-41.2174.4172.40000111.4L33 L63 I65 C69 L70 I71L33-V67 HydrophobicContact CD1-CG2 3.71Å; L63-V67 WeakPolarHBondContact O-CG2 3.36Å; L63-V67 PolarHBondContact O-N 3.21Å; I65-V67 VanDerWaalsContact C-N 3.34Å; I65-V67 PolarHBondContact O-N 2.9Å; V67-C69 VanDerWaalsContact C-N 3.35Å; V67-C69 PolarHBondContact O-N 3.32Å; V67-L70 PolarHBondContact O-N 3.38Å; V67-I71 HydrophobicContact CG1-CD1 3.96Å; V67-I71 VanDerWaalsContact O-CG1 3.32Å; V67-I71 WeakPolarHBondContact O-CG1 3.3Å; V67-I71 PolarHBondContact O-N 2.65Å
68S93.8Very high91.5Very high51 Ų5138.4 Ų38.436%0.35721%0.211SC..Hα-helixtrans-64.7-38.5177.4-56.50000112.2G64 I65 L66 C72G64-S68 PolarHBondContact O-N 3.47Å; G64-S68 VanDerWaalsContact O-N 3.11Å; G64-S68 PolarHBondContact O-OG 3.48Å; I65-S68 WeakPolarHBondContact O-CA 3.21Å; I65-S68 WeakPolarHBondContact O-CB 3.16Å; I65-S68 PolarHBondContact O-N 2.84Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3.42Å; S68-C72 PolarHBondContact O-N 2.79Å; S68-C72 VanDerWaalsContact O-N 3.14Å; S68-C72 PolarHBondContact O-SG 2.84Å
69C92.7Very high91.7Very high0 Ų039 Ų390%022%0.215CC..Hα-helixtrans-64.7-48173.9-63.50000111.5I65 L66 V67 I71 C72 E73 R101 I104 E108I65-C69 PolarHBondContact O-N 3.19Å; I65-C69 PolarHBondContact O-SG 3.11Å; L66-C69 PolarHBondContact O-N 3.09Å; V67-C69 VanDerWaalsContact C-N 3.35Å; V67-C69 PolarHBondContact O-N 3.32Å; C69-I71 VanDerWaalsContact C-N 3.33Å; C69-I71 PolarHBondContact O-N 3.5Å; C69-C72 PolarHBondContact O-N 3.4Å; C69-C72 VanDerWaalsContact O-N 3.11Å; C69-E73 WeakPolarHBondContact O-CB 3.42Å; C69-E73 WeakPolarHBondContact O-CG 3.42Å; C69-E73 PolarHBondContact O-N 2.99Å; C69-R101 VanDerWaalsContact SG-CZ 3.52Å; C69-R101 PolarHBondContact SG-NH2 3.23Å; C69-I104 WeakPolarHBondContact SG-CG2 3.24Å; C69-E108 PolarHBondContact SG-OE1 2.78Å
70L94.1Very high91.7Very high16 Ų1639.1 Ų39.18%0.08422%0.215CC..Hα-helixtrans-59.1-39.5177.5-73.3169.6000112.9F26 H29 C30 L33 L66 V67 S74F26-L70 HydrophobicContact CB-CD2 4.49Å; F26-L70 HydrophobicContact CD2-CB 4.5Å; F26-L70 HydrophobicContact CD2-CD2 3.46Å; F26-L70 VanDerWaalsContact CD2-CD2 3.46Å; F26-L70 HydrophobicContact CE2-CB 4.48Å; F26-L70 HydrophobicContact CE2-CD2 3.76Å; F26-L70 HydrophobicContact CG-CD2 4.02Å; F26-L70 WeakPolarHBondContact O-CD2 2.92Å; H29-L70 HydrophobicContact CB-CD2 3.67Å; H29-L70 HydrophobicContact CB-CG 3.95Å; C30-L70 VanDerWaalsContact SG-CD2 3.58Å; L33-L70 HydrophobicContact CB-CD1 4.29Å; L33-L70 HydrophobicContact CD1-CD1 4.36Å; L33-L70 HydrophobicContact CD2-CD1 3.85Å; L33-L70 HydrophobicContact CG-CD1 4.4Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 3.05Å; V67-L70 PolarHBondContact O-N 3.38Å; L70-S74 VanDerWaalsContact O-CB 3.25Å; L70-S74 WeakPolarHBondContact O-CB 2.6Å; L70-S74 PolarHBondContact O-N 3.13Å; L70-S74 PolarHBondContact O-OG 2.94Å
71I95Very high91.6Very high110 Ų11035.5 Ų35.556%0.56421%0.205SC*.Hα-helixtrans-63.8-46.3174.3-69.3164.9000110.6V67 C69 A75V67-I71 HydrophobicContact CG1-CD1 3.96Å; V67-I71 VanDerWaalsContact O-CG1 3.32Å; V67-I71 WeakPolarHBondContact O-CG1 3.3Å; V67-I71 PolarHBondContact O-N 2.65Å; C69-I71 VanDerWaalsContact C-N 3.33Å; C69-I71 PolarHBondContact O-N 3.5Å; I71-A75 WeakPolarHBondContact O-CB 3.42Å; I71-A75 PolarHBondContact O-N 3.21Å
72C93.3Very high91.5Very high13 Ų1339.7 Ų39.79%0.08821%0.212CC..Hα-helixtrans-67.8-40-180-68.30000112.7S68 C69 A75 I76 R101 I104S68-C72 PolarHBondContact O-N 2.79Å; S68-C72 VanDerWaalsContact O-N 3.14Å; S68-C72 PolarHBondContact O-SG 2.84Å; C69-C72 PolarHBondContact O-N 3.4Å; C69-C72 VanDerWaalsContact O-N 3.11Å; C72-A75 PolarHBondContact O-N 2.82Å; C72-I76 VanDerWaalsContact O-CG1 3.3Å; C72-I76 WeakPolarHBondContact O-CG1 3.13Å; C72-I76 PolarHBondContact O-N 2.92Å; C72-R101 HydrophobicContact CB-CB 4.43Å; C72-I104 HydrophobicContact CB-CD1 4.47Å; C72-I104 WeakPolarHBondContact SG-CD1 3.43Å
73E93.2Very high91.2Very high2 Ų240.7 Ų40.71%0.00922%0.224CC..Hα-helixtrans-70-37.6178.6-73.6151.4-157.500111.1L25 F26 H29 C69 I76 M77 R101L25-E73 HydrophobicContact CB-CG 4.42Å; F26-E73 HydrophobicContact CB-CB 4.34Å; F26-E73 PolarHBondContact N-OE2 3.25Å; H29-E73 IonicContact CE1-OE1 3.69Å; H29-E73 PolarHBondContact CE1-OE1 3.22Å; H29-E73 VanDerWaalsContact CE1-OE1 3.3Å; H29-E73 IonicContact CE1-OE2 3.01Å; H29-E73 IonicContact CG-OE2 3.3Å; H29-E73 IonicContact ND1-OE1 2.78Å; H29-E73 PolarHBondContact ND1-OE1 3.03Å; H29-E73 IonicContact ND1-OE2 2.8Å; H29-E73 PolarHBondContact ND1-OE2 3.29Å; C69-E73 WeakPolarHBondContact O-CB 3.42Å; C69-E73 WeakPolarHBondContact O-CG 3.42Å; C69-E73 PolarHBondContact O-N 2.99Å; E73-I76 PolarHBondContact O-N 3.29Å; E73-M77 VanDerWaalsContact O-CB 3.29Å; E73-M77 WeakPolarHBondContact O-CB 3.33Å; E73-M77 PolarHBondContact O-N 2.98Å; E73-R101 IonicContact OE1-CZ 3.33Å; E73-R101 IonicContact OE1-NE 3.18Å; E73-R101 PolarHBondContact OE1-NE 2.91Å; E73-R101 IonicContact OE1-NH2 2.69Å; E73-R101 PolarHBondContact OE1-NH2 2.89Å
74S93.3Very high90.9Very high44 Ų4439.9 Ų39.931%0.30822%0.221SC..Hα-helixtrans-59.6-45.1168.3-60.10000112F26 L70 M77 W78F26-S74 VanDerWaalsContact CE2-OG 3.28Å; F26-S74 WeakPolarHBondContact CE2-OG 3.48Å; L70-S74 VanDerWaalsContact O-CB 3.25Å; L70-S74 WeakPolarHBondContact O-CB 2.6Å; L70-S74 PolarHBondContact O-N 3.13Å; L70-S74 PolarHBondContact O-OG 2.94Å; S74-M77 PolarHBondContact O-N 3.17Å; S74-W78 VanDerWaalsContact O-CB 3.24Å; S74-W78 WeakPolarHBondContact O-CB 3.48Å; S74-W78 PolarHBondContact O-N 3.26Å
75A93.6Very high90.3Very high34 Ų3438.1 Ų38.128%0.28120%0.202SC..Hα-helixtrans-67.2-41.3179.100000112.5I71 C72 L79 V97I71-A75 WeakPolarHBondContact O-CB 3.42Å; I71-A75 PolarHBondContact O-N 3.21Å; C72-A75 PolarHBondContact O-N 2.82Å; A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 VanDerWaalsContact O-CG 3.25Å; A75-L79 WeakPolarHBondContact O-CG 3.46Å; A75-L79 PolarHBondContact O-N 3.37Å; A75-V97 HydrophobicContact CB-CG1 4.07Å
76I91.4Very high89.7Confident14 Ų1441.5 Ų41.57%0.07222%0.22CC..Hα-helixtrans-59.1-55.1172.4-71.4161.1000109.3L18 A22 C72 E73 W78 L79 S80 V97 R101L18-I76 HydrophobicContact CB-CG2 3.82Å; L18-I76 HydrophobicContact CD1-CG2 4.39Å; A22-I76 HydrophobicContact CB-CB 4.34Å; A22-I76 HydrophobicContact CB-CG2 3.93Å; C72-I76 VanDerWaalsContact O-CG1 3.3Å; C72-I76 WeakPolarHBondContact O-CG1 3.13Å; C72-I76 PolarHBondContact O-N 2.92Å; E73-I76 PolarHBondContact O-N 3.29Å; I76-W78 PolarHBondContact O-N 3.33Å; I76-L79 PolarHBondContact O-N 2.86Å; I76-S80 WeakPolarHBondContact O-CB 3.38Å; I76-S80 PolarHBondContact O-N 3.17Å; I76-S80 PolarHBondContact O-OG 2.74Å; I76-S80 VanDerWaalsContact O-OG 3.05Å; I76-V97 HydrophobicContact CD1-CG1 4.32Å; I76-V97 HydrophobicContact CG1-CB 4.17Å; I76-V97 HydrophobicContact CG1-CG1 3.72Å; I76-R101 HydrophobicContact CD1-CB 4.27Å; I76-R101 HydrophobicContact CD1-CG 4.45Å
77M89.9Confident89.3Confident37 Ų3747.2 Ų47.218%0.18224%0.242CC..Hα-helixtrans-55.4-49-179.7-178.3170.457.300111.9V19 A22 L23 E73 S74 L79 S80 M81V19-M77 HydrophobicContact CG1-CG 4.37Å; A22-M77 HydrophobicContact CB-CB 4.15Å; L23-M77 HydrophobicContact CB-SD 4.02Å; L23-M77 HydrophobicContact CD1-SD 4.01Å; E73-M77 VanDerWaalsContact O-CB 3.29Å; E73-M77 WeakPolarHBondContact O-CB 3.33Å; E73-M77 PolarHBondContact O-N 2.98Å; S74-M77 PolarHBondContact O-N 3.17Å; M77-L79 PolarHBondContact O-N 2.88Å; M77-S80 PolarHBondContact O-N 2.86Å; M77-M81 HydrophobicContact CG-CE 4.08Å; M77-M81 HydrophobicContact CG-SD 4.49Å; M77-M81 VanDerWaalsContact O-CG 3.28Å; M77-M81 WeakPolarHBondContact O-CG 3.16Å; M77-M81 PolarHBondContact O-N 2.83Å
78W90.8Very high88.7Confident158 Ų15846.1 Ų46.160%0.59824%0.236SC*.Hα-helixtrans-62.4-39.3-179.9179.4-107.1000113.9S74 I76 M81 R82S74-W78 VanDerWaalsContact O-CB 3.24Å; S74-W78 WeakPolarHBondContact O-CB 3.48Å; S74-W78 PolarHBondContact O-N 3.26Å; I76-W78 PolarHBondContact O-N 3.33Å; W78-M81 HydrophobicContact CE3-CE 4.27Å; W78-R82 WeakPolarHBondContact O-CG 3.48Å
79L90.8Very high88.2Confident30 Ų3049.4 Ų49.416%0.15725%0.246CC..Hα-helixtrans-76.1-43.3177.3-68.4170.6000111.6A75 I76 M77 M81 R82 A93 V94 V97A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 VanDerWaalsContact O-CG 3.25Å; A75-L79 WeakPolarHBondContact O-CG 3.46Å; A75-L79 PolarHBondContact O-N 3.37Å; I76-L79 PolarHBondContact O-N 2.86Å; M77-L79 PolarHBondContact O-N 2.88Å; L79-M81 VanDerWaalsContact C-N 3.26Å; L79-M81 PolarHBondContact O-N 3.43Å; L79-R82 WeakPolarHBondContact O-CB 3.35Å; L79-R82 PolarHBondContact O-N 3.24Å; L79-R82 VanDerWaalsContact O-N 3.16Å; L79-A93 HydrophobicContact CD1-CB 3.9Å; L79-A93 HydrophobicContact CD2-CB 4.23Å; L79-V94 HydrophobicContact CB-CG2 3.56Å; L79-V97 HydrophobicContact CD1-CG2 3.78Å
80S88.5Confident87.8Confident1 Ų151.4 Ų51.41%0.00726%0.258CS..Hα-helixtrans-63.4-27.2179.2-69.80000113.6S15 I76 M77 R82 R91S15-S80 WeakPolarHBondContact O-CA 3.5Å; S15-S80 WeakPolarHBondContact O-CB 3.3Å; S15-S80 PolarHBondContact O-OG 3.06Å; I76-S80 WeakPolarHBondContact O-CB 3.38Å; I76-S80 PolarHBondContact O-N 3.17Å; I76-S80 PolarHBondContact O-OG 2.74Å; I76-S80 VanDerWaalsContact O-OG 3.05Å; M77-S80 PolarHBondContact O-N 2.86Å; S80-R82 PolarHBondContact O-N 2.94Å; S80-R91 WeakPolarHBondContact O-CD 3.16Å
81M86.4Confident87.4Confident56 Ų5650.9 Ų50.928%0.27626%0.255SS..THydrogen-bonded Turntrans-70.8-10.7175.2-77.4-171-6300114.9V19 M77 W78 L79 W552V19-M81 HydrophobicContact CG1-CG 3.9Å; V19-M81 HydrophobicContact CG2-CG 3.79Å; M77-M81 HydrophobicContact CG-CE 4.08Å; M77-M81 HydrophobicContact CG-SD 4.49Å; M77-M81 VanDerWaalsContact O-CG 3.28Å; M77-M81 WeakPolarHBondContact O-CG 3.16Å; M77-M81 PolarHBondContact O-N 2.83Å; W78-M81 HydrophobicContact CE3-CE 4.27Å; L79-M81 VanDerWaalsContact C-N 3.26Å; L79-M81 PolarHBondContact O-N 3.43Å; M81-W552 HydrophobicContact CG-CG 4.45Å; M81-W552 PolarHBondContact O-NE1 3.12Å; M81-W552 HydrophobicContact SD-CZ2 4.43Å
82R86.3Confident86.8Confident114 Ų11450.8 Ų50.843%0.4325%0.252SS..SBendtrans-91.3150.6-171.1-64.8176169.8-141.4-11.9114.1W78 L79 S80 P90 R91W78-R82 WeakPolarHBondContact O-CG 3.48Å; L79-R82 WeakPolarHBondContact O-CB 3.35Å; L79-R82 PolarHBondContact O-N 3.24Å; L79-R82 VanDerWaalsContact O-N 3.16Å; S80-R82 PolarHBondContact O-N 2.94Å; R82-P90 HydrophobicContact CB-CB 3.75Å; R82-R91 VanDerWaalsContact O-CD 3.22Å; R82-R91 WeakPolarHBondContact O-CD 3.38Å; R82-R91 WeakPolarHBondContact O-CG 3.4Å; R82-R91 PolarHBondContact O-NH1 3.37Å
83G84.3Confident86.6Confident25 Ų2552.2 Ų52.226%0.25827%0.265SS..SBendtrans78.1-175.1178.100000113.8P550G83-P550 WeakPolarHBondContact O-CA 3.49Å; G83-P550 WeakPolarHBondContact O-CB 3.28Å
84S82.4Confident86.4Confident13 Ų1352.1 Ų52.19%0.09127%0.265CS..  trans-101.2177.3173.8820000111L86 Y87 R91 N548S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.49Å; S84-L86 PolarHBondContact OG-N 3.42Å; S84-Y87 PolarHBondContact O-N 2.1Å; S84-Y87 WeakPolarHBondContact OG-CB 3.08Å; S84-Y87 PolarHBondContact OG-N 3.01Å; S84-R91 VanDerWaalsContact O-CZ 3.32Å; S84-R91 PolarHBondContact O-NH1 3.03Å; S84-R91 PolarHBondContact O-NH2 3.12Å; S84-N548 VanDerWaalsContact CB-O 3.28Å; S84-N548 WeakPolarHBondContact CB-O 3.39Å
85I80.4Confident86.1Confident0 Ų052.7 Ų52.70%026%0.262CS..SBendtrans-58.2-47.4177.9-38.5179.1000110.4M1 R91 A238 L544 K551 I554M1-I85 HydrophobicContact CB-CG2 4.33Å; M1-I85 VanDerWaalsContact CB-O 3.31Å; M1-I85 WeakPolarHBondContact CB-O 3.32Å; M1-I85 HydrophobicContact CE-CB 3.76Å; M1-I85 HydrophobicContact CE-CG2 3.63Å; M1-I85 HydrophobicContact CG-CG2 3.94Å; M1-I85 VanDerWaalsContact CG-O 3.29Å; M1-I85 WeakPolarHBondContact CG-O 3.4Å; M1-I85 HydrophobicContact SD-CB 4.3Å; M1-I85 HydrophobicContact SD-CG2 3.52Å; M1-I85 VanDerWaalsContact SD-CG2 3.52Å; I85-R91 PolarHBondContact O-NH2 3.08Å; I85-A238 HydrophobicContact CD1-CB 3.91Å; I85-L544 HydrophobicContact CD1-CD2 3.57Å; I85-K551 HydrophobicContact CG1-CB 4.22Å; I85-I554 HydrophobicContact CD1-CD1 3.78Å; I85-I554 HydrophobicContact CG1-CD1 4.12Å
86L78.6Confident85.9Confident89 Ų8957.9 Ų57.947%0.46628%0.276SS..SBendtrans-71.6-38.9173.8-82.7176000113.5M1 S84 T88 Q545M1-L86 HydrophobicContact CE-CD2 3.94Å; M1-L86 HydrophobicContact CE-CG 3.71Å; M1-L86 HydrophobicContact CG-CD2 3.78Å; M1-L86 HydrophobicContact CG-CG 4.24Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.49Å; S84-L86 PolarHBondContact OG-N 3.42Å; L86-T88 PolarHBondContact O-N 3.02Å; L86-T88 VanDerWaalsContact O-N 3.11Å; L86-Q545 HydrophobicContact CD1-CB 4.38Å; L86-Q545 HydrophobicContact CD1-CG 4.27Å
87Y82.3Confident85.9Confident120 Ų12058.2 Ų58.247%0.47128%0.279SS..  trans-85.787.8-171.5-175.6-124.1000111.5S84 Q89 P90 R91S84-Y87 PolarHBondContact O-N 2.1Å; S84-Y87 WeakPolarHBondContact OG-CB 3.08Å; S84-Y87 PolarHBondContact OG-N 3.01Å; Y87-Q89 HydrophobicContact CE2-CB 3.94Å; Y87-Q89 HydrophobicContact CE2-CG 4.24Å; Y87-Q89 VanDerWaalsContact CE2-OE1 3.31Å; Y87-Q89 PolarHBondContact OH-OE1 3.26Å; Y87-P90 HydrophobicContact CD1-CG 3.79Å; Y87-P90 HydrophobicContact CE1-CG 3.34Å; Y87-R91 PolarHBondContact O-NH1 3.45Å
88T81.8Confident85.8Confident41 Ų4158.1 Ų58.125%0.25228%0.278SS..  trans-85.5-18-173.1570000115.5P2 L86 P90 R91P2-T88 HydrophobicContact CG-CG2 4.37Å; L86-T88 PolarHBondContact O-N 3.02Å; L86-T88 VanDerWaalsContact O-N 3.11Å; T88-P90 VanDerWaalsContact C-CD 3.45Å; T88-R91 WeakPolarHBondContact O-CA 3.18Å; T88-R91 WeakPolarHBondContact O-CB 3.44Å; T88-R91 PolarHBondContact O-N 3.04Å
89Q82.7Confident85.7Confident121 Ų12154.3 Ų54.357%0.56527%0.265SS*.G310 helixtrans-50.8-43.4-174.2-74.8-178.7-27.900114.3Y87 R91 E92Y87-Q89 HydrophobicContact CE2-CB 3.94Å; Y87-Q89 HydrophobicContact CE2-CG 4.24Å; Y87-Q89 VanDerWaalsContact CE2-OE1 3.31Å; Y87-Q89 PolarHBondContact OH-OE1 3.26Å; Q89-R91 PolarHBondContact O-N 2.63Å; Q89-E92 PolarHBondContact O-N 3.3Å
90P84.6Confident85.8Confident41 Ų4157.4 Ų57.427%0.26628%0.28SS..G310 helixtrans-63.8-11178.1-23.536000115R82 Y87 T88R82-P90 HydrophobicContact CB-CB 3.75Å; Y87-P90 HydrophobicContact CD1-CG 3.79Å; Y87-P90 HydrophobicContact CE1-CG 3.34Å; T88-P90 VanDerWaalsContact C-CD 3.45Å
91R84.9Confident85.9Confident6 Ų658.6 Ų58.62%0.02328%0.284CS..G310 helixtrans-108.13-177.5-52.5-165.5-72.7-80.212.6113.3S15 D16 S80 R82 S84 I85 Y87 T88 Q89 A93 V94S15-R91 VanDerWaalsContact OG-CB 3.27Å; S15-R91 WeakPolarHBondContact OG-CB 3.34Å; S15-R91 WeakPolarHBondContact OG-CD 3.47Å; S15-R91 PolarHBondContact OG-NE 3.46Å; D16-R91 IonicContact OD2-CZ 3.42Å; D16-R91 IonicContact OD2-NE 3.85Å; D16-R91 IonicContact OD2-NH2 3.58Å; D16-R91 PolarHBondContact OD2-NH2 3.24Å; S80-R91 WeakPolarHBondContact O-CD 3.16Å; R82-R91 VanDerWaalsContact O-CD 3.22Å; R82-R91 WeakPolarHBondContact O-CD 3.38Å; R82-R91 WeakPolarHBondContact O-CG 3.4Å; R82-R91 PolarHBondContact O-NH1 3.37Å; S84-R91 VanDerWaalsContact O-CZ 3.32Å; S84-R91 PolarHBondContact O-NH1 3.03Å; S84-R91 PolarHBondContact O-NH2 3.12Å; I85-R91 PolarHBondContact O-NH2 3.08Å; Y87-R91 PolarHBondContact O-NH1 3.45Å; T88-R91 WeakPolarHBondContact O-CA 3.18Å; T88-R91 WeakPolarHBondContact O-CB 3.44Å; T88-R91 PolarHBondContact O-N 3.04Å; Q89-R91 PolarHBondContact O-N 2.63Å; R91-A93 PolarHBondContact O-N 2.84Å; R91-V94 HydrophobicContact CB-CG2 4.17Å; R91-V94 VanDerWaalsContact O-CB 3.27Å; R91-V94 WeakPolarHBondContact O-CB 3.48Å; R91-V94 VanDerWaalsContact O-CG2 3.26Å; R91-V94 WeakPolarHBondContact O-CG2 3.41Å; R91-V94 PolarHBondContact O-N 3.05Å
92E84.4Confident86Confident107 Ų10759 Ų5950%0.529%0.287SS..THydrogen-bonded Turntrans-63.5-24.9-179.2-73-179.9-162.300113.2Q89 V94 Q95Q89-E92 PolarHBondContact O-N 3.3Å; E92-V94 VanDerWaalsContact C-N 3.28Å; E92-V94 PolarHBondContact O-N 3.32Å; E92-Q95 WeakPolarHBondContact O-CG 3.46Å; E92-Q95 PolarHBondContact O-NE2 3.41Å
93A87.9Confident86.3Confident43 Ų4356.2 Ų56.236%0.35529%0.289SS..THydrogen-bonded Turntrans-66.6-24.817400000113.8L79 R91 Q95 Y96 V97L79-A93 HydrophobicContact CD1-CB 3.9Å; L79-A93 HydrophobicContact CD2-CB 4.23Å; R91-A93 PolarHBondContact O-N 2.84Å; A93-Q95 VanDerWaalsContact C-N 3.26Å; A93-Q95 PolarHBondContact O-N 2.88Å; A93-Y96 PolarHBondContact O-N 2.81Å; A93-Y96 VanDerWaalsContact O-N 3.08Å; A93-V97 PolarHBondContact O-N 2.82Å
94V88.3Confident86.6Confident0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-57.8-37.3-173.8175.10000112M4 L18 L79 R91 E92 Y96 V97 I98M4-V94 HydrophobicContact CE-CG1 3.96Å; L18-V94 HydrophobicContact CD1-CG1 3.88Å; L79-V94 HydrophobicContact CB-CG2 3.56Å; R91-V94 HydrophobicContact CB-CG2 4.17Å; R91-V94 VanDerWaalsContact O-CB 3.27Å; R91-V94 WeakPolarHBondContact O-CB 3.48Å; R91-V94 VanDerWaalsContact O-CG2 3.26Å; R91-V94 WeakPolarHBondContact O-CG2 3.41Å; R91-V94 PolarHBondContact O-N 3.05Å; E92-V94 VanDerWaalsContact C-N 3.28Å; E92-V94 PolarHBondContact O-N 3.32Å; V94-Y96 PolarHBondContact O-N 3.33Å; V94-V97 PolarHBondContact O-N 2.66Å; V94-I98 HydrophobicContact CG1-CD1 3.85Å; V94-I98 HydrophobicContact CG1-CG1 4.35Å; V94-I98 WeakPolarHBondContact O-CG1 3.49Å; V94-I98 PolarHBondContact O-N 2.86Å
95Q87Confident86.9Confident56 Ų5657.1 Ų57.126%0.26229%0.287SS..Hα-helixtrans-58.8-35.3179.674.7-167-57.700112.8E92 A93 Y99E92-Q95 WeakPolarHBondContact O-CG 3.46Å; E92-Q95 PolarHBondContact O-NE2 3.41Å; A93-Q95 VanDerWaalsContact C-N 3.26Å; A93-Q95 PolarHBondContact O-N 2.88Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.23Å; Q95-Y99 PolarHBondContact O-N 3.26Å
96Y90Very high87.4Confident144 Ų14462.4 Ų62.457%0.56531%0.314SS*.Hα-helixtrans-76-39-179.1-58.8-74.6000111.5A93 V94 I98 Y99 I100A93-Y96 PolarHBondContact O-N 2.81Å; A93-Y96 VanDerWaalsContact O-N 3.08Å; V94-Y96 PolarHBondContact O-N 3.33Å; Y96-I98 VanDerWaalsContact C-N 3.28Å; Y96-I98 PolarHBondContact O-N 3.41Å; Y96-Y99 PolarHBondContact O-N 2.8Å; Y96-I100 WeakPolarHBondContact O-CG1 3.44Å; Y96-I100 PolarHBondContact O-N 3.42Å; Y96-I100 VanDerWaalsContact O-N 3.1Å
97V90.7Very high88Confident21 Ų2161.7 Ų61.713%0.12731%0.313CS..Hα-helixtrans-66.1-32.3175.9-167.80000111.2A75 I76 L79 A93 V94 I100 R101A75-V97 HydrophobicContact CB-CG1 4.07Å; I76-V97 HydrophobicContact CD1-CG1 4.32Å; I76-V97 HydrophobicContact CG1-CB 4.17Å; I76-V97 HydrophobicContact CG1-CG1 3.72Å; L79-V97 HydrophobicContact CD1-CG2 3.78Å; A93-V97 PolarHBondContact O-N 2.82Å; V94-V97 PolarHBondContact O-N 2.66Å; V97-I100 PolarHBondContact O-N 3.49Å; V97-R101 PolarHBondContact O-N 3.47Å
98I88Confident88.3Confident35 Ų3556 Ų5618%0.17929%0.291CS..Hα-helixtrans-66-41.3172.2-64.5163.1000111.6M4 M6 L18 V94 Y96 I100 R101 L102M4-I98 HydrophobicContact CE-CD1 3.67Å; M4-I98 HydrophobicContact SD-CD1 3.56Å; M4-I98 VanDerWaalsContact SD-CD1 3.56Å; M6-I98 HydrophobicContact CE-CD1 4.42Å; M6-I98 HydrophobicContact CE-CG2 4.42Å; M6-I98 HydrophobicContact SD-CB 4.13Å; M6-I98 HydrophobicContact SD-CD1 3.87Å; M6-I98 HydrophobicContact SD-CG2 3.65Å; L18-I98 HydrophobicContact CD1-CD1 3.57Å; L18-I98 HydrophobicContact CD1-CG1 4.3Å; V94-I98 HydrophobicContact CG1-CD1 3.85Å; V94-I98 HydrophobicContact CG1-CG1 4.35Å; V94-I98 WeakPolarHBondContact O-CG1 3.49Å; V94-I98 PolarHBondContact O-N 2.86Å; Y96-I98 VanDerWaalsContact C-N 3.28Å; Y96-I98 PolarHBondContact O-N 3.41Å; I98-I100 VanDerWaalsContact C-N 3.26Å; I98-I100 PolarHBondContact O-N 3.21Å; I98-R101 PolarHBondContact O-N 2.9Å; I98-L102 WeakPolarHBondContact O-CB 3.49Å; I98-L102 PolarHBondContact O-N 3.19Å
99Y90.4Very high88.7Confident78 Ų7857.7 Ų57.731%0.30630%0.298SS..Hα-helixtrans-62-35.3174.1-62.6-48.1000111.9M6 F7 Q95 Y96 A103M6-Y99 WeakPolarHBondContact CA-OH 3.38Å; M6-Y99 HydrophobicContact CB-CE1 4.35Å; F7-Y99 HydrophobicContact CD1-CE1 4.2Å; F7-Y99 HydrophobicContact CD2-CE1 4.21Å; F7-Y99 HydrophobicContact CE1-CD1 4.12Å; F7-Y99 AromaticContact CE1-CE1 3.73Å; F7-Y99 HydrophobicContact CE1-CE1 3.73Å; F7-Y99 HydrophobicContact CE2-CD1 4.22Å; F7-Y99 AromaticContact CE2-CE1 3.75Å; F7-Y99 HydrophobicContact CE2-CE1 3.75Å; F7-Y99 HydrophobicContact CG-CE1 4.42Å; F7-Y99 AromaticContact CZ-CD1 3.69Å; F7-Y99 HydrophobicContact CZ-CD1 3.69Å; F7-Y99 AromaticContact CZ-CE1 3.49Å; F7-Y99 HydrophobicContact CZ-CE1 3.49Å; F7-Y99 VanDerWaalsContact CZ-CE1 3.49Å; F7-Y99 PolarHBondContact N-OH 3.35Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.23Å; Q95-Y99 PolarHBondContact O-N 3.26Å; Y96-Y99 PolarHBondContact O-N 2.8Å; Y99-A103 PolarHBondContact O-N 2.95Å; Y99-A103 VanDerWaalsContact O-N 3.11Å
100I92Very high89.1Confident95 Ų9556.5 Ų56.549%0.48730%0.299SS..Hα-helixtrans-67-48.6172.6-62.5168.5000110.9Y96 V97 I98 L102 A103 I104Y96-I100 WeakPolarHBondContact O-CG1 3.44Å; Y96-I100 PolarHBondContact O-N 3.42Å; Y96-I100 VanDerWaalsContact O-N 3.1Å; V97-I100 PolarHBondContact O-N 3.49Å; I98-I100 VanDerWaalsContact C-N 3.26Å; I98-I100 PolarHBondContact O-N 3.21Å; I100-L102 PolarHBondContact O-N 2.77Å; I100-A103 WeakPolarHBondContact O-CB 3.25Å; I100-A103 PolarHBondContact O-N 2.9Å; I100-A103 VanDerWaalsContact O-N 3.07Å; I100-I104 HydrophobicContact CG2-CD1 4.18Å; I100-I104 WeakPolarHBondContact O-CG1 3.49Å; I100-I104 PolarHBondContact O-N 3.15Å
101R90.6Very high89.3Confident25 Ų2557 Ų579%0.09430%0.296CS..Hα-helixtrans-62.3-31.9178.8-174.263.7-174.292.3-15.9112.5C69 C72 E73 I76 V97 I98 I104 L105 E108C69-R101 VanDerWaalsContact SG-CZ 3.52Å; C69-R101 PolarHBondContact SG-NH2 3.23Å; C72-R101 HydrophobicContact CB-CB 4.43Å; E73-R101 IonicContact OE1-CZ 3.33Å; E73-R101 IonicContact OE1-NE 3.18Å; E73-R101 PolarHBondContact OE1-NE 2.91Å; E73-R101 IonicContact OE1-NH2 2.69Å; E73-R101 PolarHBondContact OE1-NH2 2.89Å; I76-R101 HydrophobicContact CD1-CB 4.27Å; I76-R101 HydrophobicContact CD1-CG 4.45Å; V97-R101 PolarHBondContact O-N 3.47Å; I98-R101 PolarHBondContact O-N 2.9Å; R101-I104 PolarHBondContact O-N 3.34Å; R101-L105 PolarHBondContact O-N 3.09Å; R101-E108 IonicContact CZ-OE1 3.91Å; R101-E108 IonicContact CZ-OE2 2.7Å; R101-E108 IonicContact NH1-OE1 3.99Å; R101-E108 IonicContact NH1-OE2 3.88Å; R101-E108 PolarHBondContact NH1-OE2 3.26Å; R101-E108 IonicContact NH2-OE1 2.68Å; R101-E108 PolarHBondContact NH2-OE1 3Å; R101-E108 IonicContact NH2-OE2 2.69Å; R101-E108 PolarHBondContact NH2-OE2 3.36Å
102L88.8Confident89.4Confident64 Ų6456.7 Ų56.734%0.33530%0.295SS..Hα-helixtrans-69.1-39172.9-178.965.4000112.3F7 I98 I100 I104 L105 L106F7-L102 HydrophobicContact CE2-CD2 4.14Å; F7-L102 HydrophobicContact CZ-CD2 3.63Å; I98-L102 WeakPolarHBondContact O-CB 3.49Å; I98-L102 PolarHBondContact O-N 3.19Å; I100-L102 PolarHBondContact O-N 2.77Å; L102-I104 VanDerWaalsContact C-N 3.32Å; L102-L105 HydrophobicContact CD1-CD2 4.22Å; L102-L105 WeakPolarHBondContact O-CB 3.25Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-L106 PolarHBondContact O-N 3.08Å; L102-L106 VanDerWaalsContact O-N 3.13Å
103A91.5Very high89.6Confident56 Ų5655.7 Ų55.746%0.46330%0.296SS..Hα-helixtrans-63.1-40.5172.600000111.2Y99 I100 L105 L106 V107Y99-A103 PolarHBondContact O-N 2.95Å; Y99-A103 VanDerWaalsContact O-N 3.11Å; I100-A103 WeakPolarHBondContact O-CB 3.25Å; I100-A103 PolarHBondContact O-N 2.9Å; I100-A103 VanDerWaalsContact O-N 3.07Å; A103-L105 VanDerWaalsContact C-N 3.34Å; A103-L105 PolarHBondContact O-N 3.4Å; A103-L106 PolarHBondContact O-N 3.46Å; A103-V107 PolarHBondContact O-N 3.2Å
104I91.6Very high89.7Confident28 Ų2857 Ų5714%0.14430%0.299CS..Hα-helixtrans-64-38.4173.4-61.8167.1000111.2I65 C69 C72 I100 R101 L102 L106 V107 E108I65-I104 HydrophobicContact CG2-CG2 4.34Å; C69-I104 WeakPolarHBondContact SG-CG2 3.24Å; C72-I104 HydrophobicContact CB-CD1 4.47Å; C72-I104 WeakPolarHBondContact SG-CD1 3.43Å; I100-I104 HydrophobicContact CG2-CD1 4.18Å; I100-I104 WeakPolarHBondContact O-CG1 3.49Å; I100-I104 PolarHBondContact O-N 3.15Å; R101-I104 PolarHBondContact O-N 3.34Å; L102-I104 VanDerWaalsContact C-N 3.32Å; I104-L106 VanDerWaalsContact C-N 3.29Å; I104-L106 PolarHBondContact O-N 3.01Å; I104-V107 CarbonylContact O-C 3.53Å; I104-V107 WeakPolarHBondContact O-CA 3.41Å; I104-V107 WeakPolarHBondContact O-CB 3.42Å; I104-V107 PolarHBondContact O-N 2.82Å; I104-E108 HydrophobicContact CG2-CG 4.42Å; I104-E108 PolarHBondContact O-N 3.31Å
105L89.1Confident89.7Confident30 Ų3057.1 Ų57.116%0.15730%0.3CS..Hα-helixtrans-61.9-33.7175.8-174.968.3000113.2R101 L102 A103 V107 E108 L109 I146 V149R101-L105 PolarHBondContact O-N 3.09Å; L102-L105 HydrophobicContact CD1-CD2 4.22Å; L102-L105 WeakPolarHBondContact O-CB 3.25Å; L102-L105 PolarHBondContact O-N 3.46Å; A103-L105 VanDerWaalsContact C-N 3.34Å; A103-L105 PolarHBondContact O-N 3.4Å; L105-V107 VanDerWaalsContact C-N 3.34Å; L105-E108 VanDerWaalsContact CA-OE2 3.3Å; L105-E108 WeakPolarHBondContact CA-OE2 3.16Å; L105-E108 WeakPolarHBondContact CD1-OE2 3.42Å; L105-E108 PolarHBondContact O-N 2.86Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 PolarHBondContact O-N 3.24Å; L105-I146 HydrophobicContact CD1-CG1 4.49Å; L105-V149 HydrophobicContact CD2-CG1 3.74Å
106L89.8Confident89.7Confident110 Ų11057.5 Ų57.558%0.57630%0.304SS*.Hα-helixtrans-68.5-34.3172.4-65.4172.9000111.7L102 A103 I104 V110L102-L106 PolarHBondContact O-N 3.08Å; L102-L106 VanDerWaalsContact O-N 3.13Å; A103-L106 PolarHBondContact O-N 3.46Å; I104-L106 VanDerWaalsContact C-N 3.29Å; I104-L106 PolarHBondContact O-N 3.01Å; L106-V110 WeakPolarHBondContact O-CG2 3.08Å; L106-V110 PolarHBondContact O-N 2.87Å; L106-V110 VanDerWaalsContact O-N 3.15Å
107V91.8Very high89.6Confident75 Ų7552.7 Ų52.746%0.45529%0.294SS..Hα-helixtrans-70.2-43.8172.71800000111I65 A103 I104 L105 L109 V110 Y111I65-V107 HydrophobicContact CD1-CG1 4.02Å; I65-V107 HydrophobicContact CG1-CG1 4.4Å; A103-V107 PolarHBondContact O-N 3.2Å; I104-V107 CarbonylContact O-C 3.53Å; I104-V107 WeakPolarHBondContact O-CA 3.41Å; I104-V107 WeakPolarHBondContact O-CB 3.42Å; I104-V107 PolarHBondContact O-N 2.82Å; L105-V107 VanDerWaalsContact C-N 3.34Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 3.14Å; V107-V110 PolarHBondContact O-N 3.24Å; V107-Y111 WeakPolarHBondContact O-CB 3.3Å; V107-Y111 PolarHBondContact O-N 2.96Å
108E89.4Confident89.5Confident1 Ų152.6 Ų52.61%0.00529%0.291CS..Hα-helixtrans-55-41.8173.5-76.5171140.700111.8I65 C69 R101 I104 L105 Y111 A112 N142I65-E108 HydrophobicContact CG2-CG 3.47Å; I65-E108 VanDerWaalsContact CG2-CG 3.47Å; C69-E108 PolarHBondContact SG-OE1 2.78Å; R101-E108 IonicContact CZ-OE1 3.91Å; R101-E108 IonicContact CZ-OE2 2.7Å; R101-E108 IonicContact NH1-OE1 3.99Å; R101-E108 IonicContact NH1-OE2 3.88Å; R101-E108 PolarHBondContact NH1-OE2 3.26Å; R101-E108 IonicContact NH2-OE1 2.68Å; R101-E108 PolarHBondContact NH2-OE1 3Å; R101-E108 IonicContact NH2-OE2 2.69Å; R101-E108 PolarHBondContact NH2-OE2 3.36Å; I104-E108 HydrophobicContact CG2-CG 4.42Å; I104-E108 PolarHBondContact O-N 3.31Å; L105-E108 VanDerWaalsContact CA-OE2 3.3Å; L105-E108 WeakPolarHBondContact CA-OE2 3.16Å; L105-E108 WeakPolarHBondContact CD1-OE2 3.42Å; L105-E108 PolarHBondContact O-N 2.86Å; E108-Y111 PolarHBondContact O-N 3.48Å; E108-A112 PolarHBondContact O-N 2.63Å; E108-N142 PolarHBondContact O-ND2 2.99Å
109L88.9Confident89.4Confident75 Ų7552.4 Ų52.439%0.39329%0.29SS..Hα-helixtrans-66.3-45.4177.3-179.464.2000112.6L105 V107 Y111 A112 V113 I146L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 PolarHBondContact O-N 3.24Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 3.14Å; L109-Y111 VanDerWaalsContact C-N 3.27Å; L109-Y111 PolarHBondContact O-N 2.83Å; L109-A112 WeakPolarHBondContact O-CB 3.18Å; L109-A112 PolarHBondContact O-N 3.3Å; L109-V113 PolarHBondContact O-N 3.14Å; L109-V113 VanDerWaalsContact O-N 3.15Å; L109-I146 HydrophobicContact CD1-CD1 4.18Å
110V90.6Very high89.3Confident96 Ų9654.6 Ų54.658%0.58231%0.311SS*.Hα-helixtrans-61.3-40.6173.7172.10000110.3L106 V107 A112 V113 V114L106-V110 WeakPolarHBondContact O-CG2 3.08Å; L106-V110 PolarHBondContact O-N 2.87Å; L106-V110 VanDerWaalsContact O-N 3.15Å; V107-V110 PolarHBondContact O-N 3.24Å; V110-A112 PolarHBondContact O-N 2.86Å; V110-V113 PolarHBondContact O-N 3.42Å; V110-V114 WeakPolarHBondContact O-CG2 3.26Å; V110-V114 PolarHBondContact O-N 3.32Å
111Y89.5Confident88.9Confident51 Ų5155.8 Ų55.820%0.232%0.315CS..Hα-helixtrans-65.3-36.8177-132.6-98000112.8H58 G61 Y62 I65 V107 E108 L109 V113 V114 G115H58-Y111 WeakPolarHBondContact CA-OH 3.3Å; H58-Y111 AromaticContact CE1-CD1 3.39Å; H58-Y111 WeakPolarHBondContact CE1-CD1 3.47Å; H58-Y111 AromaticContact CE1-CE1 3.2Å; H58-Y111 WeakPolarHBondContact CE1-CE1 3.43Å; H58-Y111 AromaticContact CE1-CZ 3.99Å; H58-Y111 AromaticContact CG-CE1 3.82Å; H58-Y111 AromaticContact ND1-CD1 3.91Å; H58-Y111 AromaticContact ND1-CE1 3.24Å; H58-Y111 WeakPolarHBondContact ND1-CE1 3.4Å; H58-Y111 AromaticContact ND1-CZ 3.65Å; H58-Y111 AromaticContact NE2-CD1 3.9Å; H58-Y111 AromaticContact NE2-CE1 3.75Å; H58-Y111 VanDerWaalsContact O-CE1 3.3Å; H58-Y111 WeakPolarHBondContact O-CE1 3.33Å; H58-Y111 PolarHBondContact O-OH 3.09Å; H58-Y111 VanDerWaalsContact O-OH 3.12Å; G61-Y111 WeakPolarHBondContact CA-OH 3.23Å; Y62-Y111 HydrophobicContact CD2-CD1 4.24Å; I65-Y111 HydrophobicContact CD1-CD1 4.12Å; I65-Y111 HydrophobicContact CD1-CD2 3.63Å; I65-Y111 HydrophobicContact CD1-CE2 4.2Å; I65-Y111 HydrophobicContact CD1-CG 3.6Å; V107-Y111 WeakPolarHBondContact O-CB 3.3Å; V107-Y111 PolarHBondContact O-N 2.96Å; E108-Y111 PolarHBondContact O-N 3.48Å; L109-Y111 VanDerWaalsContact C-N 3.27Å; L109-Y111 PolarHBondContact O-N 2.83Å; Y111-V113 VanDerWaalsContact C-N 3.35Å; Y111-V113 PolarHBondContact O-N 3.35Å; Y111-V114 PolarHBondContact O-N 3.33Å; Y111-G115 PolarHBondContact O-N 3.39Å
112A87.1Confident88.5Confident1 Ų158 Ų581%0.00832%0.324CS..Hα-helixtrans-61.3-41.5173.500000112.1E108 L109 V110 G115 I116 N142 I146E108-A112 PolarHBondContact O-N 2.63Å; L109-A112 WeakPolarHBondContact O-CB 3.18Å; L109-A112 PolarHBondContact O-N 3.3Å; V110-A112 PolarHBondContact O-N 2.86Å; A112-G115 PolarHBondContact O-N 2.85Å; A112-I116 WeakPolarHBondContact O-CG1 3.44Å; A112-I116 PolarHBondContact O-N 3.3Å; A112-N142 WeakPolarHBondContact CB-ND2 3.17Å; A112-I146 HydrophobicContact CB-CD1 4.09Å
113V88.9Confident88.1Confident86 Ų8659.7 Ų59.752%0.52133%0.326SS..Hα-helixtrans-66.1-41.1176.2174.90000111.2L109 V110 Y111 G115 I116 A117L109-V113 PolarHBondContact O-N 3.14Å; L109-V113 VanDerWaalsContact O-N 3.15Å; V110-V113 PolarHBondContact O-N 3.42Å; Y111-V113 VanDerWaalsContact C-N 3.35Å; Y111-V113 PolarHBondContact O-N 3.35Å; V113-G115 VanDerWaalsContact C-N 3.34Å; V113-G115 PolarHBondContact O-N 2.83Å; V113-I116 PolarHBondContact O-N 2.79Å; V113-A117 WeakPolarHBondContact O-CB 3.31Å; V113-A117 PolarHBondContact O-N 2.91Å
114V89.4Confident87.6Confident69 Ų6964.4 Ų64.442%0.41834%0.339SS..Hα-helixtrans-62.3-40.8173.6173.90000111.4V110 Y111 A117 W118V110-V114 WeakPolarHBondContact O-CG2 3.26Å; V110-V114 PolarHBondContact O-N 3.32Å; Y111-V114 PolarHBondContact O-N 3.33Å; V114-A117 PolarHBondContact O-N 2.7Å; V114-W118 WeakPolarHBondContact O-CB 3.27Å; V114-W118 PolarHBondContact O-N 2.61Å
115G87.8Confident87Confident3 Ų368 Ų683%0.03136%0.364CS..Hα-helixtrans-62.6-40.2175.400000113.2Y111 A112 V113 W118 L119Y111-G115 PolarHBondContact O-N 3.39Å; A112-G115 PolarHBondContact O-N 2.85Å; V113-G115 VanDerWaalsContact C-N 3.34Å; V113-G115 PolarHBondContact O-N 2.83Å; G115-W118 PolarHBondContact O-N 2.83Å; G115-L119 WeakPolarHBondContact O-CG 3.42Å; G115-L119 PolarHBondContact O-N 3.05Å
116I88.4Confident86.6Confident65 Ų6566.8 Ų66.833%0.33336%0.358SS..Hα-helixtrans-64.1-46172-69.1164.7000111A112 V113 W118 L119 V120 V139 W143A112-I116 WeakPolarHBondContact O-CG1 3.44Å; A112-I116 PolarHBondContact O-N 3.3Å; V113-I116 PolarHBondContact O-N 2.79Å; I116-W118 VanDerWaalsContact C-N 3.3Å; I116-W118 PolarHBondContact O-N 2.93Å; I116-L119 WeakPolarHBondContact O-CB 3.41Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-L119 VanDerWaalsContact O-N 3.17Å; I116-V120 HydrophobicContact CG2-CG2 4.3Å; I116-V120 WeakPolarHBondContact O-CG2 3.48Å; I116-V120 PolarHBondContact O-N 2.83Å; I116-V139 HydrophobicContact CG1-CG1 3.96Å; I116-W143 HydrophobicContact CD1-CZ2 3.97Å
117A88.4Confident86Confident43 Ų4366.2 Ų66.236%0.35536%0.363SS..Hα-helixtrans-60.4-40.8179.200000111.7V113 V114 V120 Q121V113-A117 WeakPolarHBondContact O-CB 3.31Å; V113-A117 PolarHBondContact O-N 2.91Å; V114-A117 PolarHBondContact O-N 2.7Å; A117-V120 PolarHBondContact O-N 2.72Å; A117-Q121 VanDerWaalsContact O-CG 3.31Å; A117-Q121 WeakPolarHBondContact O-CG 3.46Å; A117-Q121 PolarHBondContact O-N 2.99Å; A117-Q121 VanDerWaalsContact O-N 3.08Å
118W87.8Confident85.4Confident19 Ų1964.3 Ų64.37%0.07235%0.35CS..Hα-helixtrans-62.5-44.9173.6-172.696.7000111.8C51 T54 L55 V114 G115 I116 V120 Q121 Y122 A135C51-W118 HydrophobicContact CB-CZ2 4.46Å; C51-W118 WeakPolarHBondContact O-CZ2 3.17Å; C51-W118 WeakPolarHBondContact SG-CZ2 3.47Å; T54-W118 PolarHBondContact OG1-NE1 3.21Å; T54-W118 VanDerWaalsContact OG1-NE1 3.1Å; L55-W118 HydrophobicContact CB-CH2 4.23Å; L55-W118 HydrophobicContact CB-CZ2 3.66Å; L55-W118 HydrophobicContact CD1-CD2 4.4Å; L55-W118 HydrophobicContact CD1-CE3 4.37Å; L55-W118 HydrophobicContact CD1-CH2 4.33Å; L55-W118 HydrophobicContact CD1-CZ2 4.32Å; L55-W118 HydrophobicContact CD1-CZ3 4.35Å; L55-W118 HydrophobicContact CD2-CH2 4Å; L55-W118 HydrophobicContact CD2-CZ2 4.27Å; L55-W118 HydrophobicContact CG-CH2 4.42Å; L55-W118 HydrophobicContact CG-CZ2 4.3Å; V114-W118 WeakPolarHBondContact O-CB 3.27Å; V114-W118 PolarHBondContact O-N 2.61Å; G115-W118 PolarHBondContact O-N 2.83Å; I116-W118 VanDerWaalsContact C-N 3.3Å; I116-W118 PolarHBondContact O-N 2.93Å; W118-V120 PolarHBondContact O-N 2.71Å; W118-Q121 PolarHBondContact O-N 3.27Å; W118-Y122 AromaticContact CD1-CD2 3.72Å; W118-Y122 HydrophobicContact CD2-CD2 4.22Å; W118-Y122 AromaticContact CE2-CD2 3.95Å; W118-Y122 HydrophobicContact CG-CD2 4.06Å; W118-Y122 HydrophobicContact CZ2-CG 4.37Å; W118-Y122 AromaticContact NE1-CD2 3.66Å; W118-Y122 PolarHBondContact O-N 3.2Å; W118-A135 HydrophobicContact CE3-CB 3.7Å; W118-A135 HydrophobicContact CH2-CB 4.24Å; W118-A135 HydrophobicContact CZ3-CB 3.35Å
119L86.2Confident84.9Confident31 Ų3168.8 Ų68.816%0.16238%0.378CS..Hα-helixtrans-58.9-48.5175-77.5172.5000111.5G115 I116 Q121 Y122 Y123 A135 V139G115-L119 WeakPolarHBondContact O-CG 3.42Å; G115-L119 PolarHBondContact O-N 3.05Å; I116-L119 WeakPolarHBondContact O-CB 3.41Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-L119 VanDerWaalsContact O-N 3.17Å; L119-Q121 PolarHBondContact O-N 3.16Å; L119-Y122 PolarHBondContact O-N 3.5Å; L119-Y123 HydrophobicContact CD2-CD2 3.87Å; L119-Y123 WeakPolarHBondContact O-CB 3.27Å; L119-Y123 PolarHBondContact O-N 2.96Å; L119-A135 HydrophobicContact CD2-CB 3.67Å; L119-A135 HydrophobicContact CG-CB 4.34Å; L119-V139 HydrophobicContact CD1-CB 4.05Å; L119-V139 HydrophobicContact CD1-CG1 4.25Å; L119-V139 HydrophobicContact CD1-CG2 3.78Å
120V86.9Confident84.3Confident123 Ų12368.2 Ų68.275%0.74538%0.377SS*.Hα-helixtrans-59.6-36.1179.6172.10000111.9I116 A117 W118I116-V120 HydrophobicContact CG2-CG2 4.3Å; I116-V120 WeakPolarHBondContact O-CG2 3.48Å; I116-V120 PolarHBondContact O-N 2.83Å; A117-V120 PolarHBondContact O-N 2.72Å; W118-V120 PolarHBondContact O-N 2.71Å
121Q85.2Confident83.5Confident121 Ų12163.7 Ų63.757%0.56535%0.35SS*.Hα-helixtrans-81.4-40.9-179.5-69.71734.700113.7A117 W118 L119 P125A117-Q121 VanDerWaalsContact O-CG 3.31Å; A117-Q121 WeakPolarHBondContact O-CG 3.46Å; A117-Q121 PolarHBondContact O-N 2.99Å; A117-Q121 VanDerWaalsContact O-N 3.08Å; W118-Q121 PolarHBondContact O-N 3.27Å; L119-Q121 PolarHBondContact O-N 3.16Å; Q121-P125 WeakPolarHBondContact O-CG 3.23Å
122Y82.3Confident83Confident71 Ų7163.1 Ų63.128%0.27835%0.348SS..Hα-helixtrans-114.4-12-166-65.2-74.7000115.7C51 W118 L119 Q124 P125 C126C51-Y122 HydrophobicContact CB-CD1 4.21Å; W118-Y122 AromaticContact CD1-CD2 3.72Å; W118-Y122 HydrophobicContact CD2-CD2 4.22Å; W118-Y122 AromaticContact CE2-CD2 3.95Å; W118-Y122 HydrophobicContact CG-CD2 4.06Å; W118-Y122 HydrophobicContact CZ2-CG 4.37Å; W118-Y122 AromaticContact NE1-CD2 3.66Å; W118-Y122 PolarHBondContact O-N 3.2Å; L119-Y122 PolarHBondContact O-N 3.5Å; Y122-Q124 VanDerWaalsContact C-N 3.31Å; Y122-Q124 PolarHBondContact O-N 2.79Å; Y122-P125 WeakPolarHBondContact O-CD 3.33Å; Y122-C126 WeakPolarHBondContact O-CB 3.36Å; Y122-C126 PolarHBondContact O-N 2.9Å; Y122-C126 VanDerWaalsContact O-N 3.13Å
123Y79.8Confident82.7Confident100 Ų10068.2 Ų68.239%0.39238%0.375SS..THydrogen-bonded Turntrans-63-31.1-175.7-175.9-95.2000114.1L119 K132 L136L119-Y123 HydrophobicContact CD2-CD2 3.87Å; L119-Y123 WeakPolarHBondContact O-CB 3.27Å; L119-Y123 PolarHBondContact O-N 2.96Å; Y123-K132 HydrophobicContact CD2-CB 4.24Å; Y123-K132 HydrophobicContact CD2-CD 4.31Å; Y123-K132 HydrophobicContact CD2-CG 4.21Å; Y123-K132 HydrophobicContact CE2-CB 4.13Å; Y123-K132 HydrophobicContact CE2-CD 4.37Å; Y123-K132 HydrophobicContact CE2-CG 4.45Å; Y123-K132 WeakPolarHBondContact O-CD 3.42Å; Y123-K132 WeakPolarHBondContact O-CE 3.29Å; Y123-K132 PolarHBondContact O-NZ 2.88Å; Y123-L136 HydrophobicContact CE2-CD1 4.46Å
124Q80.4Confident82.2Confident155 Ų15565.1 Ų65.172%0.72436%0.356SS*.THydrogen-bonded Turntrans-82.7-60.7171.5-69.1-65.7-8.500113Y122 C126 K132Y122-Q124 VanDerWaalsContact C-N 3.31Å; Y122-Q124 PolarHBondContact O-N 2.79Å; Q124-C126 VanDerWaalsContact C-N 3.29Å; Q124-C126 PolarHBondContact O-N 3Å; Q124-K132 PolarHBondContact O-NZ 3.05Å
125P80.4Confident81.8Confident102 Ų10262 Ų6266%0.66234%0.337SS*.THydrogen-bonded Turntrans-71.2-16.5-168.828.7-37.9000115.2Q121 Y122Q121-P125 WeakPolarHBondContact O-CG 3.23Å; Y122-P125 WeakPolarHBondContact O-CD 3.33Å
126C79.4Confident81.6Confident5 Ų566.1 Ų66.13%0.03436%0.358CS..  trans-76.5137.5176-161.90000111.2C51 Y122 Q124 K132C51-C126 HydrophobicContact CB-CB 3.8Å; C51-C126 WeakPolarHBondContact CB-SG 3.39Å; C51-C126 WeakPolarHBondContact SG-CB 3.25Å; C51-C126 CovalentContact SG-SG 2.03Å; C51-C126 PolarHBondContact SG-SG 2.87Å; Y122-C126 WeakPolarHBondContact O-CB 3.36Å; Y122-C126 PolarHBondContact O-N 2.9Å; Y122-C126 VanDerWaalsContact O-N 3.13Å; Q124-C126 VanDerWaalsContact C-N 3.29Å; Q124-C126 PolarHBondContact O-N 3Å; C126-K132 WeakPolarHBondContact O-CE 3.41Å; C126-K132 PolarHBondContact O-NZ 3.37Å
127S78.3Confident81.2Confident98 Ų9863.9 Ų63.969%0.68535%0.351SS*.  trans-91.6-18.5177.851.40000113.8V129S127-V129 PolarHBondContact O-N 3.48Å
128D79.3Confident81Confident35 Ų3562.3 Ų62.319%0.18734%0.337CS..  trans-73.3105.6-177.6-177-8.1000111.4S52 T130 A131 K132S52-D128 PolarHBondContact OG-OD2 2.81Å; D128-T130 VanDerWaalsContact C-N 3.28Å; D128-T130 PolarHBondContact O-N 2.96Å; D128-T130 WeakPolarHBondContact OD1-CA 3.44Å; D128-T130 WeakPolarHBondContact OD1-CB 3.42Å; D128-T130 PolarHBondContact OD1-N 3.38Å; D128-T130 PolarHBondContact OD1-OG1 3.09Å; D128-A131 HydrophobicContact CB-CB 3.79Å; D128-A131 WeakPolarHBondContact O-CB 3.48Å; D128-A131 PolarHBondContact O-N 3.3Å; D128-A131 PolarHBondContact OD1-N 2.79Å; D128-K132 PolarHBondContact O-N 2.96Å
129V78.5Confident80.9Confident96 Ų9662.2 Ų62.258%0.58234%0.338SS*.Hα-helixtrans-66.1-31.5178.1-179.70000111.6S127 K132 N133S127-V129 PolarHBondContact O-N 3.48Å; V129-K132 PolarHBondContact O-N 2.86Å; V129-N133 WeakPolarHBondContact O-CB 3.15Å; V129-N133 VanDerWaalsContact O-CG 3.28Å; V129-N133 PolarHBondContact O-N 3.35Å; V129-N133 PolarHBondContact O-ND2 2.94Å
130T75.6Confident80.8Confident63 Ų6362.9 Ų62.939%0.38735%0.348SS..Hα-helixtrans-64.8-45.7176.2-45.60000109.9L43 D128 K132 N133 L134L43-T130 HydrophobicContact CD1-CG2 3.49Å; L43-T130 VanDerWaalsContact CD1-CG2 3.49Å; D128-T130 VanDerWaalsContact C-N 3.28Å; D128-T130 PolarHBondContact O-N 2.96Å; D128-T130 WeakPolarHBondContact OD1-CA 3.44Å; D128-T130 WeakPolarHBondContact OD1-CB 3.42Å; D128-T130 PolarHBondContact OD1-N 3.38Å; D128-T130 PolarHBondContact OD1-OG1 3.09Å; T130-K132 PolarHBondContact O-N 3.05Å; T130-N133 PolarHBondContact O-N 3.35Å; T130-L134 VanDerWaalsContact O-CB 3.32Å; T130-L134 WeakPolarHBondContact O-CB 3.44Å; T130-L134 PolarHBondContact O-N 3.45Å
131A73.9Confident80.5Confident0 Ų057.2 Ų57.20%031%0.314CS..Hα-helixtrans-59.1-45.6175.900000112.1L55 D128 N133 L134 A135L55-A131 HydrophobicContact CD2-CB 3.49Å; L55-A131 VanDerWaalsContact CD2-CB 3.49Å; L55-A131 WeakPolarHBondContact CD2-O 3.44Å; D128-A131 HydrophobicContact CB-CB 3.79Å; D128-A131 WeakPolarHBondContact O-CB 3.48Å; D128-A131 PolarHBondContact O-N 3.3Å; D128-A131 PolarHBondContact OD1-N 2.79Å; A131-N133 PolarHBondContact O-N 3.4Å; A131-L134 PolarHBondContact O-N 3.1Å; A131-A135 WeakPolarHBondContact O-CB 3.23Å; A131-A135 PolarHBondContact O-N 2.93Å
132K78.3Confident80.4Confident39 Ų3951.5 Ų51.517%0.1729%0.287CS..Hα-helixtrans-61-46.7177.4-64.8-175.7-164.1-161.80112.3Y123 Q124 C126 D128 V129 T130 A135 L136Y123-K132 HydrophobicContact CD2-CB 4.24Å; Y123-K132 HydrophobicContact CD2-CD 4.31Å; Y123-K132 HydrophobicContact CD2-CG 4.21Å; Y123-K132 HydrophobicContact CE2-CB 4.13Å; Y123-K132 HydrophobicContact CE2-CD 4.37Å; Y123-K132 HydrophobicContact CE2-CG 4.45Å; Y123-K132 WeakPolarHBondContact O-CD 3.42Å; Y123-K132 WeakPolarHBondContact O-CE 3.29Å; Y123-K132 PolarHBondContact O-NZ 2.88Å; Q124-K132 PolarHBondContact O-NZ 3.05Å; C126-K132 WeakPolarHBondContact O-CE 3.41Å; C126-K132 PolarHBondContact O-NZ 3.37Å; D128-K132 PolarHBondContact O-N 2.96Å; V129-K132 PolarHBondContact O-N 2.86Å; T130-K132 PolarHBondContact O-N 3.05Å; K132-A135 PolarHBondContact O-N 2.93Å; K132-L136 WeakPolarHBondContact O-CB 3.29Å; K132-L136 PolarHBondContact O-N 3.49Å
133N81.3Confident80.6Confident108 Ų10853.7 Ų53.758%0.57830%0.295SS*.Hα-helixtrans-66-39.3-179.5-69.9-15.2000112V129 T130 A131 G137V129-N133 WeakPolarHBondContact O-CB 3.15Å; V129-N133 VanDerWaalsContact O-CG 3.28Å; V129-N133 PolarHBondContact O-N 3.35Å; V129-N133 PolarHBondContact O-ND2 2.94Å; T130-N133 PolarHBondContact O-N 3.35Å; A131-N133 PolarHBondContact O-N 3.4Å; N133-G137 PolarHBondContact O-N 2.91Å
134L78.8Confident80.7Confident21 Ų2154.5 Ų54.511%0.1131%0.306CS..Hα-helixtrans-63.1-50.5174.6173.359.2000111.8L36 V39 L40 L55 T130 A131 L136 G137 I138L36-L134 HydrophobicContact CD1-CD1 3.9Å; V39-L134 HydrophobicContact CG1-CB 4.41Å; V39-L134 HydrophobicContact CG1-CD1 3.78Å; V39-L134 HydrophobicContact CG1-CD2 3.82Å; V39-L134 HydrophobicContact CG1-CG 4.2Å; L40-L134 HydrophobicContact CD2-CD2 4.1Å; L55-L134 HydrophobicContact CD2-CB 4.33Å; L55-L134 HydrophobicContact CD2-CD2 4.02Å; L55-L134 HydrophobicContact CD2-CG 4.33Å; L55-L134 HydrophobicContact CG-CD2 4.25Å; T130-L134 VanDerWaalsContact O-CB 3.32Å; T130-L134 WeakPolarHBondContact O-CB 3.44Å; T130-L134 PolarHBondContact O-N 3.45Å; A131-L134 PolarHBondContact O-N 3.1Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 2.99Å; L134-G137 PolarHBondContact O-N 2.96Å; L134-I138 HydrophobicContact CD1-CD1 3.71Å; L134-I138 HydrophobicContact CD1-CG1 4.03Å; L134-I138 HydrophobicContact CG-CD1 3.91Å; L134-I138 WeakPolarHBondContact O-CG1 3.31Å; L134-I138 PolarHBondContact O-N 2.85Å
135A80.4Confident80.9Confident4 Ų447.2 Ų47.23%0.03327%0.272CS..Hα-helixtrans-60.7-43.7-179.600000112L55 W118 L119 A131 K132 I138 V139L55-A135 HydrophobicContact CD1-CB 3.75Å; L55-A135 HydrophobicContact CD2-CB 4.28Å; W118-A135 HydrophobicContact CE3-CB 3.7Å; W118-A135 HydrophobicContact CH2-CB 4.24Å; W118-A135 HydrophobicContact CZ3-CB 3.35Å; L119-A135 HydrophobicContact CD2-CB 3.67Å; L119-A135 HydrophobicContact CG-CB 4.34Å; A131-A135 WeakPolarHBondContact O-CB 3.23Å; A131-A135 PolarHBondContact O-N 2.93Å; K132-A135 PolarHBondContact O-N 2.93Å; A135-I138 PolarHBondContact O-N 3.17Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.14Å; A135-V139 VanDerWaalsContact O-N 3.09Å
136L83.2Confident81Confident90 Ų9043.2 Ų43.247%0.47125%0.245SC..Hα-helixtrans-63.8-41.6175.9-169.9153.3000111.4Y123 K132 L134 V139 A140Y123-L136 HydrophobicContact CE2-CD1 4.46Å; K132-L136 WeakPolarHBondContact O-CB 3.29Å; K132-L136 PolarHBondContact O-N 3.49Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 2.99Å; L136-V139 PolarHBondContact O-N 3.2Å; L136-A140 VanDerWaalsContact O-CB 3.26Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.25Å
137G81.4Confident81.2Confident18 Ų1847.6 Ų47.619%0.18627%0.267CS..Hα-helixtrans-62.2-45.4175.600000113.6N133 L134 A140 C141N133-G137 PolarHBondContact O-N 2.91Å; L134-G137 PolarHBondContact O-N 2.96Å; G137-A140 PolarHBondContact O-N 3.32Å; G137-C141 VanDerWaalsContact O-CB 3.23Å; G137-C141 WeakPolarHBondContact O-CB 3.3Å; G137-C141 PolarHBondContact O-N 3.21Å
138I83Confident81.3Confident9 Ų944.7 Ų44.75%0.04625%0.247CC..Hα-helixtrans-59.9-48.9176.3-70.7167.1000110.6L36 Y62 L134 A135 C141 N142L36-I138 HydrophobicContact CD1-CD1 3.94Å; L36-I138 HydrophobicContact CD1-CG1 4.21Å; Y62-I138 HydrophobicContact CD1-CG1 4.31Å; Y62-I138 HydrophobicContact CD1-CG2 3.78Å; Y62-I138 HydrophobicContact CE1-CG2 4.02Å; Y62-I138 HydrophobicContact CG-CG2 4.22Å; L134-I138 HydrophobicContact CD1-CD1 3.71Å; L134-I138 HydrophobicContact CD1-CG1 4.03Å; L134-I138 HydrophobicContact CG-CD1 3.91Å; L134-I138 WeakPolarHBondContact O-CG1 3.31Å; L134-I138 PolarHBondContact O-N 2.85Å; A135-I138 PolarHBondContact O-N 3.17Å; I138-C141 PolarHBondContact O-N 3.4Å; I138-N142 WeakPolarHBondContact O-CB 3.38Å; I138-N142 PolarHBondContact O-N 2.95Å
139V85.8Confident81.4Confident18 Ų1844.3 Ų44.311%0.10925%0.246CC..Hα-helixtrans-66-45-178.9172.30000111I116 L119 A135 L136 C141 N142 W143I116-V139 HydrophobicContact CG1-CG1 3.96Å; L119-V139 HydrophobicContact CD1-CB 4.05Å; L119-V139 HydrophobicContact CD1-CG1 4.25Å; L119-V139 HydrophobicContact CD1-CG2 3.78Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.14Å; A135-V139 VanDerWaalsContact O-N 3.09Å; L136-V139 PolarHBondContact O-N 3.2Å; V139-C141 PolarHBondContact O-N 2.95Å; V139-N142 PolarHBondContact O-N 2.85Å; V139-W143 VanDerWaalsContact O-CD1 3.28Å; V139-W143 PolarHBondContact O-N 3.3Å
140A84.1Confident81.5Confident45 Ų4542.9 Ų42.937%0.37224%0.239SC..Hα-helixtrans-61.7-43.417700000112.5L136 G137 L144L136-A140 VanDerWaalsContact O-CB 3.26Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.25Å; G137-A140 PolarHBondContact O-N 3.32Å; A140-L144 VanDerWaalsContact O-CG 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.49Å; A140-L144 PolarHBondContact O-N 3.12Å
141C81.5Confident81.6Confident3 Ų343.3 Ų43.32%0.0224%0.238CC..Hα-helixtrans-57.3-53.8174.2171.60000111.7W32 G137 I138 V139 W143 L144 V145W32-C141 HydrophobicContact CD2-CB 3.98Å; W32-C141 VanDerWaalsContact CD2-SG 3.55Å; W32-C141 VanDerWaalsContact CE2-SG 3.53Å; W32-C141 HydrophobicContact CE3-CB 4.25Å; W32-C141 VanDerWaalsContact CG-SG 3.55Å; W32-C141 HydrophobicContact CH2-CB 4.05Å; W32-C141 HydrophobicContact CZ2-CB 3.77Å; W32-C141 HydrophobicContact CZ3-CB 4.28Å; W32-C141 PolarHBondContact NE1-SG 3.37Å; G137-C141 VanDerWaalsContact O-CB 3.23Å; G137-C141 WeakPolarHBondContact O-CB 3.3Å; G137-C141 PolarHBondContact O-N 3.21Å; I138-C141 PolarHBondContact O-N 3.4Å; V139-C141 PolarHBondContact O-N 2.95Å; C141-W143 VanDerWaalsContact C-N 3.33Å; C141-W143 PolarHBondContact O-N 3.08Å; C141-L144 PolarHBondContact O-N 3.36Å; C141-L144 VanDerWaalsContact O-N 3.13Å; C141-V145 PolarHBondContact O-N 2.87Å
142N83.6Confident81.7Confident2 Ų246.6 Ų46.61%0.01126%0.259CS..Hα-helixtrans-62.1-40.7-175.9-162.9-5.2000111.3E108 A112 I138 V139 V145 I146E108-N142 PolarHBondContact O-ND2 2.99Å; A112-N142 WeakPolarHBondContact CB-ND2 3.17Å; I138-N142 WeakPolarHBondContact O-CB 3.38Å; I138-N142 PolarHBondContact O-N 2.95Å; V139-N142 PolarHBondContact O-N 2.85Å; N142-V145 PolarHBondContact O-N 3.26Å; N142-I146 WeakPolarHBondContact O-CB 3.41Å; N142-I146 VanDerWaalsContact O-CG1 3.28Å; N142-I146 WeakPolarHBondContact O-CG1 3.3Å; N142-I146 PolarHBondContact O-N 3.44Å; N142-I146 WeakPolarHBondContact OD1-CD1 3.27Å
143W84.8Confident81.6Confident116 Ų11648.3 Ų48.344%0.43927%0.269SS..Hα-helixtrans-66.3-35.8174-83.3100.5000114.3I116 V139 C141 L147I116-W143 HydrophobicContact CD1-CZ2 3.97Å; V139-W143 VanDerWaalsContact O-CD1 3.28Å; V139-W143 PolarHBondContact O-N 3.3Å; C141-W143 VanDerWaalsContact C-N 3.33Å; C141-W143 PolarHBondContact O-N 3.08Å; W143-L147 WeakPolarHBondContact O-CB 3.49Å; W143-L147 PolarHBondContact O-N 3.41Å
144L83.4Confident81.3Confident117 Ų11749.4 Ų49.461%0.61327%0.272SS*.Hα-helixtrans-64.4-41.6173.1-74.1168000111.6A140 C141 S148A140-L144 VanDerWaalsContact O-CG 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.49Å; A140-L144 PolarHBondContact O-N 3.12Å; C141-L144 PolarHBondContact O-N 3.36Å; C141-L144 VanDerWaalsContact O-N 3.13Å; L144-S148 WeakPolarHBondContact O-CB 3.37Å; L144-S148 PolarHBondContact O-N 3.44Å
145V83.3Confident80.8Confident3 Ų349.8 Ų49.82%0.01828%0.277CS..Hα-helixtrans-63.8-52.4175.3175.30000110.5L28 C141 N142 L147 S148 V149L28-V145 HydrophobicContact CD2-CG2 3.61Å; C141-V145 PolarHBondContact O-N 2.87Å; N142-V145 PolarHBondContact O-N 3.26Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 3.24Å; V145-S148 PolarHBondContact O-N 3.41Å; V145-S148 VanDerWaalsContact O-N 3.11Å; V145-S148 PolarHBondContact O-OG 2.83Å; V145-V149 WeakPolarHBondContact O-CG2 3.22Å; V145-V149 PolarHBondContact O-N 2.99Å
146I83.6Confident80.5Confident17 Ų1751 Ų519%0.08728%0.284CS..Hα-helixtrans-55.8-45.5177.9-69.9166000111.1L105 L109 A112 N142 S148 V149 C150L105-I146 HydrophobicContact CD1-CG1 4.49Å; L109-I146 HydrophobicContact CD1-CD1 4.18Å; A112-I146 HydrophobicContact CB-CD1 4.09Å; N142-I146 WeakPolarHBondContact O-CB 3.41Å; N142-I146 VanDerWaalsContact O-CG1 3.28Å; N142-I146 WeakPolarHBondContact O-CG1 3.3Å; N142-I146 PolarHBondContact O-N 3.44Å; N142-I146 WeakPolarHBondContact OD1-CD1 3.27Å; I146-S148 PolarHBondContact O-N 2.96Å; I146-V149 PolarHBondContact O-N 3.37Å; I146-C150 WeakPolarHBondContact O-CB 3.49Å; I146-C150 PolarHBondContact O-N 3.46Å; I146-C150 PolarHBondContact O-SG 3.3Å; I146-C150 VanDerWaalsContact O-SG 3.34Å
147L82.4Confident80.1Confident97 Ų9750.7 Ų50.751%0.50828%0.279SS..Hα-helixtrans-61.9-43.6177.3-178.263.1000111.8W143 V145 V149 C150 I151W143-L147 WeakPolarHBondContact O-CB 3.49Å; W143-L147 PolarHBondContact O-N 3.41Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 3.24Å; L147-V149 VanDerWaalsContact C-N 3.32Å; L147-V149 PolarHBondContact O-N 2.92Å; L147-C150 PolarHBondContact O-N 2.79Å; L147-I151 HydrophobicContact CD1-CD1 4.15Å; L147-I151 HydrophobicContact CD1-CG1 4.43Å; L147-I151 HydrophobicContact CG-CD1 3.96Å; L147-I151 VanDerWaalsContact O-CG1 3.31Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 2.94Å
148S81.4Confident79.6Confident37 Ų3750.1 Ų50.126%0.25927%0.271SS..Hα-helixtrans-63.1-37.617879.20000112.5L144 V145 I146 T152L144-S148 WeakPolarHBondContact O-CB 3.37Å; L144-S148 PolarHBondContact O-N 3.44Å; V145-S148 PolarHBondContact O-N 3.41Å; V145-S148 VanDerWaalsContact O-N 3.11Å; V145-S148 PolarHBondContact O-OG 2.83Å; I146-S148 PolarHBondContact O-N 2.96Å; S148-T152 WeakPolarHBondContact O-CB 3.48Å; S148-T152 PolarHBondContact O-N 2.89Å; S148-T152 PolarHBondContact O-OG1 3.29Å
149V82Confident78.8Confident28 Ų2851.4 Ų51.417%0.1728%0.281CS..Hα-helixtrans-70.9-42.3176.6174.30000110.6L105 V145 I146 L147 T152 L153L105-V149 HydrophobicContact CD2-CG1 3.74Å; V145-V149 WeakPolarHBondContact O-CG2 3.22Å; V145-V149 PolarHBondContact O-N 2.99Å; I146-V149 PolarHBondContact O-N 3.37Å; L147-V149 VanDerWaalsContact C-N 3.32Å; L147-V149 PolarHBondContact O-N 2.92Å; V149-T152 PolarHBondContact O-N 2.88Å; V149-L153 HydrophobicContact CG1-CD1 3.97Å; V149-L153 HydrophobicContact CG1-CG 4.36Å; V149-L153 WeakPolarHBondContact O-CB 3.14Å; V149-L153 VanDerWaalsContact O-CG 3.31Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.46Å
150C80.6Confident77.7Confident65 Ų6550.9 Ų50.944%0.43928%0.278SS..Hα-helixtrans-60.2-45.6174.5-74.80000112.4I146 L147 L153 M154I146-C150 WeakPolarHBondContact O-CB 3.49Å; I146-C150 PolarHBondContact O-N 3.46Å; I146-C150 PolarHBondContact O-SG 3.3Å; I146-C150 VanDerWaalsContact O-SG 3.34Å; L147-C150 PolarHBondContact O-N 2.79Å; C150-L153 PolarHBondContact O-N 3.08Å; C150-M154 WeakPolarHBondContact O-CG 3.42Å; C150-M154 PolarHBondContact O-N 2.93Å
151I75.8Confident76.9Confident72 Ų7248.8 Ų48.837%0.36926%0.26SS..Hα-helixtrans-60.9-47.3174.8-67.9165.8000110.2L147 L153 M154 C155L147-I151 HydrophobicContact CD1-CD1 4.15Å; L147-I151 HydrophobicContact CD1-CG1 4.43Å; L147-I151 HydrophobicContact CG-CD1 3.96Å; L147-I151 VanDerWaalsContact O-CG1 3.31Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 2.94Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 2.84Å; I151-M154 PolarHBondContact O-N 2.89Å; I151-M154 VanDerWaalsContact O-N 3.14Å; I151-C155 PolarHBondContact O-N 2.95Å; I151-C155 PolarHBondContact O-SG 2.96Å; I151-C155 VanDerWaalsContact O-SG 3.35Å
152T76Confident76.5Confident70 Ų7055.7 Ų55.743%0.42929%0.285SS..Hα-helixtrans-60.1-42.2178.3-590000112S148 V149 C155 T156S148-T152 WeakPolarHBondContact O-CB 3.48Å; S148-T152 PolarHBondContact O-N 2.89Å; S148-T152 PolarHBondContact O-OG1 3.29Å; V149-T152 PolarHBondContact O-N 2.88Å; T152-C155 PolarHBondContact O-N 3.39Å; T152-T156 HydrophobicContact CG2-CG2 4.34Å; T152-T156 WeakPolarHBondContact O-CB 3.42Å; T152-T156 WeakPolarHBondContact O-CG2 3.27Å; T152-T156 PolarHBondContact O-N 3.09Å; T152-T156 VanDerWaalsContact O-N 3.07Å; T152-T156 PolarHBondContact O-OG1 3.11Å
153L77.8Confident75.6Confident74 Ų7457.9 Ų57.939%0.38730%0.299SS..Hα-helixtrans-62-44.5174-74.1168.9000111.4W11 V149 C150 I151 T156 F157W11-L153 HydrophobicContact CH2-CD2 4.15Å; W11-L153 HydrophobicContact CZ3-CD2 4.05Å; V149-L153 HydrophobicContact CG1-CD1 3.97Å; V149-L153 HydrophobicContact CG1-CG 4.36Å; V149-L153 WeakPolarHBondContact O-CB 3.14Å; V149-L153 VanDerWaalsContact O-CG 3.31Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 3.46Å; C150-L153 PolarHBondContact O-N 3.08Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 2.84Å; L153-T156 PolarHBondContact O-N 3Å; L153-T156 PolarHBondContact O-OG1 3.43Å; L153-F157 WeakPolarHBondContact O-CB 3.49Å; L153-F157 PolarHBondContact O-N 3.28Å
154M73.6Confident74.8Confident131 Ų13154 Ų5465%0.64529%0.285SS*.Hα-helixtrans-62.7-42.1176.8-72.5-175.270.200112.9C150 I151 T156C150-M154 WeakPolarHBondContact O-CG 3.42Å; C150-M154 PolarHBondContact O-N 2.93Å; I151-M154 PolarHBondContact O-N 2.89Å; I151-M154 VanDerWaalsContact O-N 3.14Å; M154-T156 VanDerWaalsContact C-N 3.33Å; M154-T156 PolarHBondContact O-N 3.28Å
155C69.4Low74.2Confident30 Ų3050.5 Ų50.520%0.20327%0.269CS..Hα-helixtrans-67.1-31.5177.6-66.10000113.3I151 T152 R197I151-C155 PolarHBondContact O-N 2.95Å; I151-C155 PolarHBondContact O-SG 2.96Å; I151-C155 VanDerWaalsContact O-SG 3.35Å; T152-C155 PolarHBondContact O-N 3.39Å; C155-R197 PolarHBondContact O-NH2 3.09Å
156T73Confident73.6Confident30 Ų3057.2 Ų57.218%0.18430%0.298CS..Hα-helixtrans-98.9-16.8-172.359.40000114.1S12 V13 T152 L153 M154 D158 R197S12-T156 PolarHBondContact N-O 3.15Å; S12-T156 PolarHBondContact OG-O 3.42Å; V13-T156 HydrophobicContact CG2-CG2 3.41Å; V13-T156 VanDerWaalsContact CG2-CG2 3.41Å; T152-T156 HydrophobicContact CG2-CG2 4.34Å; T152-T156 WeakPolarHBondContact O-CB 3.42Å; T152-T156 WeakPolarHBondContact O-CG2 3.27Å; T152-T156 PolarHBondContact O-N 3.09Å; T152-T156 VanDerWaalsContact O-N 3.07Å; T152-T156 PolarHBondContact O-OG1 3.11Å; L153-T156 PolarHBondContact O-N 3Å; L153-T156 PolarHBondContact O-OG1 3.43Å; M154-T156 VanDerWaalsContact C-N 3.33Å; M154-T156 PolarHBondContact O-N 3.28Å; T156-D158 PolarHBondContact O-N 3.45Å; T156-R197 PolarHBondContact O-NH2 3.18Å
157F76.4Confident72.6Confident82 Ų8257.4 Ų57.436%0.3630%0.299SS..  trans-65.1124.5177.4179.5-92.7000112.4R9 W11 L153 P159 R197R9-F157 VanDerWaalsContact NH1-CZ 3.26Å; W11-F157 HydrophobicContact CE3-CB 4.41Å; W11-F157 AromaticContact CH2-CD2 3.93Å; W11-F157 HydrophobicContact CH2-CD2 3.93Å; W11-F157 HydrophobicContact CZ2-CD2 4.49Å; W11-F157 HydrophobicContact CZ3-CB 3.96Å; W11-F157 HydrophobicContact CZ3-CD2 4.07Å; L153-F157 WeakPolarHBondContact O-CB 3.49Å; L153-F157 PolarHBondContact O-N 3.28Å; F157-P159 HydrophobicContact CE1-CB 4.41Å; F157-R197 VanDerWaalsContact C-NH2 3.33Å; F157-R197 PolarHBondContact O-NH2 2.94Å
158D70.4Confident71.8Confident6 Ų657.4 Ų57.43%0.03230%0.295CS..  trans-99.2112174.7173.66.2000109.9R9 T156 T160 G161R9-D158 PolarHBondContact NE-O 3.19Å; R9-D158 PolarHBondContact NH2-O 3.29Å; T156-D158 PolarHBondContact O-N 3.45Å; D158-T160 VanDerWaalsContact CG-OG1 3.29Å; D158-T160 PolarHBondContact O-N 3Å; D158-T160 WeakPolarHBondContact OD1-CA 3.23Å; D158-T160 WeakPolarHBondContact OD1-CB 3.23Å; D158-T160 PolarHBondContact OD1-N 3.44Å; D158-T160 PolarHBondContact OD1-OG1 3.15Å; D158-T160 PolarHBondContact OD2-OG1 3.03Å; D158-G161 PolarHBondContact O-N 3.38Å; D158-G161 PolarHBondContact OD1-N 3.38Å; D158-G161 PolarHBondContact OD2-N 3.4Å
159P66Low71Confident37 Ų3758.4 Ų58.424%0.2431%0.305CS..THydrogen-bonded Turntrans-59.8-32177.125.7-33.1000112R9 F157 S193R9-P159 PolarHBondContact NH2-O 3.41Å; F157-P159 HydrophobicContact CE1-CB 4.41Å; P159-S193 WeakPolarHBondContact CD-OG 3.33Å
160T63.3Low69.9Low7 Ų759.9 Ų59.94%0.04331%0.314CS..THydrogen-bonded Turntrans-80.1-13.8-179.775.10000114.8D158 R162 T163 F164 L186 G189 Q190D158-T160 VanDerWaalsContact CG-OG1 3.29Å; D158-T160 PolarHBondContact O-N 3Å; D158-T160 WeakPolarHBondContact OD1-CA 3.23Å; D158-T160 WeakPolarHBondContact OD1-CB 3.23Å; D158-T160 PolarHBondContact OD1-N 3.44Å; D158-T160 PolarHBondContact OD1-OG1 3.15Å; D158-T160 PolarHBondContact OD2-OG1 3.03Å; T160-R162 CarbonylContact O-C 3.58Å; T160-R162 PolarHBondContact O-N 3.07Å; T160-T163 WeakPolarHBondContact O-CA 3.45Å; T160-T163 WeakPolarHBondContact O-CB 3.4Å; T160-T163 PolarHBondContact O-N 3.28Å; T160-F164 PolarHBondContact O-N 2.99Å; T160-L186 HydrophobicContact CG2-CD2 4.49Å; T160-G189 WeakPolarHBondContact CG2-O 3.47Å; T160-Q190 HydrophobicContact CG2-CG 4.2Å
161G66.9Low68.7Low0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-58.9-19.2-163.100000116.2R10 D158 V165R10-G161 PolarHBondContact N-O 3.34Å; R10-G161 WeakPolarHBondContact O-CA 3.45Å; D158-G161 PolarHBondContact O-N 3.38Å; D158-G161 PolarHBondContact OD1-N 3.38Å; D158-G161 PolarHBondContact OD2-N 3.4Å; G161-V165 VanDerWaalsContact O-CG2 3.31Å; G161-V165 WeakPolarHBondContact O-CG2 3.32Å; G161-V165 PolarHBondContact O-N 3.33Å
162R72.4Confident67.7Low148 Ų14872.6 Ų72.656%0.55835%0.348SS*.Hα-helixtrans-78.1-39.8170.7-73.7-176173169.2-1.6112.1R9 T160 V165 K166R9-R162 HydrophobicContact CB-CG 4.01Å; R9-R162 HydrophobicContact CG-CG 3.98Å; T160-R162 CarbonylContact O-C 3.58Å; T160-R162 PolarHBondContact O-N 3.07Å; R162-V165 PolarHBondContact O-N 2.86Å; R162-K166 WeakPolarHBondContact O-CG 3.43Å; R162-K166 PolarHBondContact O-N 3.2Å
163T66.1Low66.5Low48 Ų4880 Ų8029%0.29437%0.369SS..Hα-helixtrans-65.7-40.7175.2-48.30000110.7T160 K166 L167 L182 L186T160-T163 WeakPolarHBondContact O-CA 3.45Å; T160-T163 WeakPolarHBondContact O-CB 3.4Å; T160-T163 PolarHBondContact O-N 3.28Å; T163-K166 WeakPolarHBondContact O-CB 3.41Å; T163-K166 PolarHBondContact O-N 2.95Å; T163-L167 PolarHBondContact O-N 2.98Å; T163-L182 HydrophobicContact CG2-CD2 3.73Å; T163-L182 HydrophobicContact CG2-CG 4.4Å; T163-L186 HydrophobicContact CG2-CD1 4.12Å; T163-L186 HydrophobicContact CG2-CG 3.9Å
164F67.2Low65.1Low35 Ų3582.8 Ų82.815%0.15438%0.38CS..Hα-helixtrans-59.9-47.2174.7-173-91000112.5R10 T160 K166 L167 K168 L186 D230R10-F164 HydrophobicContact CB-CD1 4.19Å; R10-F164 HydrophobicContact CG-CD1 4.35Å; T160-F164 PolarHBondContact O-N 2.99Å; F164-K166 VanDerWaalsContact C-N 3.34Å; F164-K166 PolarHBondContact O-N 2.99Å; F164-L167 PolarHBondContact O-N 2.9Å; F164-K168 HydrophobicContact CD1-CD 4.4Å; F164-K168 HydrophobicContact CE1-CD 3.7Å; F164-K168 HydrophobicContact CZ-CD 4.34Å; F164-K168 WeakPolarHBondContact O-CB 3.49Å; F164-K168 PolarHBondContact O-N 2.97Å; F164-L186 HydrophobicContact CB-CD2 3.92Å; F164-L186 HydrophobicContact CD2-CD2 4.27Å; F164-D230 WeakPolarHBondContact CE1-OD2 3.45Å; F164-D230 HydrophobicContact CZ-CB 4.32Å; F164-D230 WeakPolarHBondContact CZ-OD2 3.23Å
165V70.2Confident64Low44 Ų4486.4 Ų86.427%0.26739%0.386SS..Hα-helixtrans-63.2-40.1177.4171.30000111.2V5 R10 G161 R162 K168 A169V5-V165 HydrophobicContact CG1-CG2 4.08Å; V5-V165 HydrophobicContact CG2-CG2 4.26Å; R10-V165 HydrophobicContact CB-CG2 4.38Å; G161-V165 VanDerWaalsContact O-CG2 3.31Å; G161-V165 WeakPolarHBondContact O-CG2 3.32Å; G161-V165 PolarHBondContact O-N 3.33Å; R162-V165 PolarHBondContact O-N 2.86Å; V165-K168 PolarHBondContact O-N 2.84Å; V165-A169 PolarHBondContact O-N 3.48Å; V165-A169 VanDerWaalsContact O-N 3.09Å
166K70.6Confident63.1Low143 Ų14389.2 Ų89.262%0.62240%0.399SS*.Hα-helixtrans-59.7-49.7171.6-74.2179.9177.3-173.10111.7R162 T163 F164 K168 A169 T170R162-K166 WeakPolarHBondContact O-CG 3.43Å; R162-K166 PolarHBondContact O-N 3.2Å; T163-K166 WeakPolarHBondContact O-CB 3.41Å; T163-K166 PolarHBondContact O-N 2.95Å; F164-K166 VanDerWaalsContact C-N 3.34Å; F164-K166 PolarHBondContact O-N 2.99Å; K166-K168 VanDerWaalsContact C-N 3.35Å; K166-K168 PolarHBondContact O-N 2.93Å; K166-A169 WeakPolarHBondContact O-CB 3.13Å; K166-A169 PolarHBondContact O-N 3.09Å; K166-A169 VanDerWaalsContact O-N 3.17Å; K166-T170 PolarHBondContact O-N 2.84Å; K166-T170 PolarHBondContact O-OG1 2.66Å
167L64.1Low62Low22 Ų2294.8 Ų94.812%0.11543%0.427CS..Hα-helixtrans-61-42.3179.1-169.8141.1000112.1T163 F164 A169 T170 R171 L182 R183 L186T163-L167 PolarHBondContact O-N 2.98Å; F164-L167 PolarHBondContact O-N 2.9Å; L167-A169 VanDerWaalsContact C-N 3.25Å; L167-A169 PolarHBondContact O-N 3.22Å; L167-T170 PolarHBondContact O-N 3.48Å; L167-R171 VanDerWaalsContact O-CB 3.3Å; L167-R171 WeakPolarHBondContact O-CB 3.3Å; L167-R171 PolarHBondContact O-N 3.29Å; L167-L182 HydrophobicContact CB-CD2 3.68Å; L167-L182 HydrophobicContact CD1-CB 4.32Å; L167-L182 HydrophobicContact CD1-CD2 3.92Å; L167-L182 HydrophobicContact CG-CD2 4.23Å; L167-R183 HydrophobicContact CD1-CG 3.85Å; L167-L186 HydrophobicContact CB-CD1 3.8Å; L167-L186 HydrophobicContact CD1-CD1 3.72Å; L167-L186 HydrophobicContact CG-CD1 4.27Å
168K64.3Low60.9Low96 Ų9695.4 Ų95.442%0.41744%0.438SS..Hα-helixtrans-64.4-30178.4-159.4164.5-173.7174.60112.1F164 V165 K166 D230F164-K168 HydrophobicContact CD1-CD 4.4Å; F164-K168 HydrophobicContact CE1-CD 3.7Å; F164-K168 HydrophobicContact CZ-CD 4.34Å; F164-K168 WeakPolarHBondContact O-CB 3.49Å; F164-K168 PolarHBondContact O-N 2.97Å; V165-K168 PolarHBondContact O-N 2.84Å; K166-K168 VanDerWaalsContact C-N 3.35Å; K166-K168 PolarHBondContact O-N 2.93Å; K168-D230 IonicContact NZ-OD2 2.91Å; K168-D230 PolarHBondContact NZ-OD2 3.21Å
169A65.3Low60.2Low58 Ų5895.6 Ų95.648%0.47944%0.439SS..Hα-helixtrans-75.2-45.8170.200000112.6V165 K166 L167 R171 R172V165-A169 PolarHBondContact O-N 3.48Å; V165-A169 VanDerWaalsContact O-N 3.09Å; K166-A169 WeakPolarHBondContact O-CB 3.13Å; K166-A169 PolarHBondContact O-N 3.09Å; K166-A169 VanDerWaalsContact O-N 3.17Å; L167-A169 VanDerWaalsContact C-N 3.25Å; L167-A169 PolarHBondContact O-N 3.22Å; A169-R171 PolarHBondContact O-N 3.07Å; A169-R172 WeakPolarHBondContact O-CB 3.34Å; A169-R172 PolarHBondContact O-N 3.44Å; A169-R172 VanDerWaalsContact O-N 3.13Å
170T58.9Low59.6Low59 Ų59101 Ų10136%0.36246%0.456SS..Hα-helixtrans-64.2-38.2178.4-54.30000112.4K166 L167 R172 R173 Q174K166-T170 PolarHBondContact O-N 2.84Å; K166-T170 PolarHBondContact O-OG1 2.66Å; L167-T170 PolarHBondContact O-N 3.48Å; T170-R172 PolarHBondContact O-N 3.48Å; T170-R173 WeakPolarHBondContact O-CA 2.98Å; T170-R173 PolarHBondContact O-N 2.93Å; T170-Q174 PolarHBondContact O-N 3.45Å
171R54.3Low59.4Low179 Ų179104.7 Ų104.768%0.67548%0.478SS*.THydrogen-bonded Turntrans-60.9-21.8174.5-176176.2177.1178.80.2113L167 A169L167-R171 VanDerWaalsContact O-CB 3.3Å; L167-R171 WeakPolarHBondContact O-CB 3.3Å; L167-R171 PolarHBondContact O-N 3.29Å; A169-R171 PolarHBondContact O-N 3.07Å
172R54.7Low59.1Low225 Ų225107.2 Ų107.285%0.84949%0.492SS*.THydrogen-bonded Turntrans-84.7-6.4171.6-72.5-177.7171.6-170.3-2.5113.7A169 T170A169-R172 WeakPolarHBondContact O-CB 3.34Å; A169-R172 PolarHBondContact O-N 3.44Å; A169-R172 VanDerWaalsContact O-N 3.13Å; T170-R172 PolarHBondContact O-N 3.48Å
173R52.3Low58.4Low226 Ų226105 Ų10585%0.85348%0.483SS*.THydrogen-bonded Turntrans-112.6-43.9-178.7-84-175166.1-179.2-5.4114.4T170T170-R173 WeakPolarHBondContact O-CA 2.98Å; T170-R173 PolarHBondContact O-N 2.93Å
174Q47Very low58Low133 Ų133107.1 Ų107.162%0.62149%0.489SS*.  trans-159.8169.6179.8-122.1159.5-26.400113.9T170T170-Q174 PolarHBondContact O-N 3.45Å
175R51.2Low57.7Low206 Ų206113.5 Ų113.578%0.77751%0.513SS*.  trans-122.742.8-170.4-161.1175.6-176.7160.4-0.6111.6
176N51.3Low57.2Low89 Ų89111.8 Ų111.848%0.47650%0.502SS..SBendtrans-95.8170-171.4-63.620.6000112.7T178 T179N176-T178 PolarHBondContact O-N 3.38Å; N176-T178 VanDerWaalsContact O-N 3.12Å; N176-T179 VanDerWaalsContact O-CB 3.24Å; N176-T179 WeakPolarHBondContact O-CB 3.3Å; N176-T179 PolarHBondContact O-N 3.02Å; N176-T179 PolarHBondContact O-OG1 2.89Å
177L50.2Low56.5Low148 Ų148108.2 Ų108.278%0.77549%0.487SS*.THydrogen-bonded Turntrans-52.4-32-179.1-169.267.8000114.5T179 Y180L177-T179 PolarHBondContact O-N 2.85Å; L177-T179 VanDerWaalsContact O-N 3.11Å; L177-Y180 VanDerWaalsContact O-CB 3.3Å; L177-Y180 WeakPolarHBondContact O-CB 3.47Å; L177-Y180 PolarHBondContact O-N 3.32Å
178T52.9Low56.3Low94 Ų94111.4 Ų111.458%0.57750%0.502SS*.Hα-helixtrans-61.5-16173.246.80000114.1N176 T181 L182N176-T178 PolarHBondContact O-N 3.38Å; N176-T178 VanDerWaalsContact O-N 3.12Å; T178-T181 PolarHBondContact O-OG1 2.8Å; T178-L182 WeakPolarHBondContact O-CB 3.44Å; T178-L182 PolarHBondContact O-N 3.21Å
179T55.2Low55.9Low10 Ų10107.4 Ų107.46%0.06149%0.488CS..Hα-helixtrans-75.5-28.2171.2-34.20000111.6N176 L177 R183N176-T179 VanDerWaalsContact O-CB 3.24Å; N176-T179 WeakPolarHBondContact O-CB 3.3Å; N176-T179 PolarHBondContact O-N 3.02Å; N176-T179 PolarHBondContact O-OG1 2.89Å; L177-T179 PolarHBondContact O-N 2.85Å; L177-T179 VanDerWaalsContact O-N 3.11Å; T179-R183 VanDerWaalsContact O-CG 3.27Å; T179-R183 WeakPolarHBondContact O-CG 3.23Å; T179-R183 PolarHBondContact O-N 3.46Å; T179-R183 VanDerWaalsContact O-N 3.16Å
180Y54.3Low55.5Low152 Ų152106.8 Ų106.860%0.59648%0.475SS*.Hα-helixtrans-72.5-52.4179.9-176.7-89.9000111L177 L182 R183 H184L177-Y180 VanDerWaalsContact O-CB 3.3Å; L177-Y180 WeakPolarHBondContact O-CB 3.47Å; L177-Y180 PolarHBondContact O-N 3.32Å; Y180-L182 PolarHBondContact O-N 2.8Å; Y180-R183 WeakPolarHBondContact O-CB 3.38Å; Y180-R183 PolarHBondContact O-N 2.91Å; Y180-H184 PolarHBondContact O-N 2.56Å; Y180-H184 VanDerWaalsContact O-N 3.09Å
181T59Low55.3Low83 Ų83104.5 Ų104.551%0.50946%0.462SS..Hα-helixtrans-60.5-32.6177.456.70000112.2T178 R185T178-T181 PolarHBondContact O-OG1 2.8Å; T181-R185 WeakPolarHBondContact O-CG 3.39Å; T181-R185 PolarHBondContact O-N 2.91Å
182L59.4Low55.4Low54 Ų5498.4 Ų98.428%0.28345%0.447SS..Hα-helixtrans-80.2-14.5177.4-142.7144.2000113.3T163 L167 T178 Y180T163-L182 HydrophobicContact CG2-CD2 3.73Å; T163-L182 HydrophobicContact CG2-CG 4.4Å; L167-L182 HydrophobicContact CB-CD2 3.68Å; L167-L182 HydrophobicContact CD1-CB 4.32Å; L167-L182 HydrophobicContact CD1-CD2 3.92Å; L167-L182 HydrophobicContact CG-CD2 4.23Å; T178-L182 WeakPolarHBondContact O-CB 3.44Å; T178-L182 PolarHBondContact O-N 3.21Å; Y180-L182 PolarHBondContact O-N 2.8Å
183R58.7Low55.5Low100 Ų10088.1 Ų88.138%0.37741%0.409SS..Hα-helixtrans-77.4-47.2165.2-74.7167.1-166.4169.41.3111.5L167 T179 Y180 R185 L186 E187L167-R183 HydrophobicContact CD1-CG 3.85Å; T179-R183 VanDerWaalsContact O-CG 3.27Å; T179-R183 WeakPolarHBondContact O-CG 3.23Å; T179-R183 PolarHBondContact O-N 3.46Å; T179-R183 VanDerWaalsContact O-N 3.16Å; Y180-R183 WeakPolarHBondContact O-CB 3.38Å; Y180-R183 PolarHBondContact O-N 2.91Å; R183-R185 VanDerWaalsContact C-N 3.3Å; R183-R185 PolarHBondContact O-N 3.09Å; R183-L186 CarbonylContact O-C 3.54Å; R183-L186 VanDerWaalsContact O-CA 3.28Å; R183-L186 WeakPolarHBondContact O-CA 3.39Å; R183-L186 VanDerWaalsContact O-CB 3.25Å; R183-L186 WeakPolarHBondContact O-CB 3.32Å; R183-L186 PolarHBondContact O-N 2.96Å; R183-E187 PolarHBondContact O-N 3.45Å
184H57.3Low55.7Low93 Ų9381.1 Ų81.143%0.43138%0.383SS..Hα-helixtrans-56.2-44.8178-155.4-87.5000111.8Y180 L186 E187 E188Y180-H184 PolarHBondContact O-N 2.56Å; Y180-H184 VanDerWaalsContact O-N 3.09Å; H184-L186 PolarHBondContact O-N 3.31Å; H184-L186 VanDerWaalsContact O-N 3.17Å; H184-E187 VanDerWaalsContact CA-OE2 3.29Å; H184-E187 WeakPolarHBondContact CA-OE2 3.39Å; H184-E187 PolarHBondContact N-OE2 3.13Å; H184-E187 PolarHBondContact O-N 2.9Å; H184-E187 VanDerWaalsContact O-N 3.14Å; H184-E188 IonicContact CE1-OE1 3.48Å; H184-E188 PolarHBondContact CE1-OE1 2.99Å; H184-E188 IonicContact CG-OE1 3.71Å; H184-E188 IonicContact ND1-OE1 2.74Å; H184-E188 PolarHBondContact ND1-OE1 3.43Å; H184-E188 WeakPolarHBondContact O-CB 3.38Å; H184-E188 VanDerWaalsContact O-CG 3.31Å; H184-E188 WeakPolarHBondContact O-CG 3.45Å; H184-E188 PolarHBondContact O-N 3.29Å
185R60.5Low56.1Low170 Ų17074.9 Ų74.964%0.64235%0.354SS*.Hα-helixtrans-60.9-20.8171.9-67.8-69.8-157.1-178.43.9114.8T181 R183 E188T181-R185 WeakPolarHBondContact O-CG 3.39Å; T181-R185 PolarHBondContact O-N 2.91Å; R183-R185 VanDerWaalsContact C-N 3.3Å; R183-R185 PolarHBondContact O-N 3.09Å; R185-E188 IonicContact NH1-OE2 3.98Å
186L59.8Low56.4Low8 Ų872.2 Ų72.24%0.04234%0.344CS..Hα-helixtrans-90.4-35.9174.7-98.2159.3000111.5T160 T163 F164 L167 R183 H184 G189 Q190T160-L186 HydrophobicContact CG2-CD2 4.49Å; T163-L186 HydrophobicContact CG2-CD1 4.12Å; T163-L186 HydrophobicContact CG2-CG 3.9Å; F164-L186 HydrophobicContact CB-CD2 3.92Å; F164-L186 HydrophobicContact CD2-CD2 4.27Å; L167-L186 HydrophobicContact CB-CD1 3.8Å; L167-L186 HydrophobicContact CD1-CD1 3.72Å; L167-L186 HydrophobicContact CG-CD1 4.27Å; R183-L186 CarbonylContact O-C 3.54Å; R183-L186 VanDerWaalsContact O-CA 3.28Å; R183-L186 WeakPolarHBondContact O-CA 3.39Å; R183-L186 VanDerWaalsContact O-CB 3.25Å; R183-L186 WeakPolarHBondContact O-CB 3.32Å; R183-L186 PolarHBondContact O-N 2.96Å; H184-L186 PolarHBondContact O-N 3.31Å; H184-L186 VanDerWaalsContact O-N 3.17Å; L186-G189 PolarHBondContact O-N 2.96Å; L186-Q190 VanDerWaalsContact O-CB 3.28Å; L186-Q190 WeakPolarHBondContact O-CB 3.25Å; L186-Q190 VanDerWaalsContact O-CG 3.28Å; L186-Q190 WeakPolarHBondContact O-CG 3.36Å; L186-Q190 PolarHBondContact O-N 3.09Å
187E56.6Low56.9Low68 Ų6869.7 Ų69.732%0.31833%0.328SS..Hα-helixtrans-64.2-55173.4-72.8138.9-166.800110.5R183 H184 G189 Q190 A191 R227R183-E187 PolarHBondContact O-N 3.45Å; H184-E187 VanDerWaalsContact CA-OE2 3.29Å; H184-E187 WeakPolarHBondContact CA-OE2 3.39Å; H184-E187 PolarHBondContact N-OE2 3.13Å; H184-E187 PolarHBondContact O-N 2.9Å; H184-E187 VanDerWaalsContact O-N 3.14Å; E187-G189 PolarHBondContact O-N 3.48Å; E187-Q190 PolarHBondContact O-N 3.02Å; E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 2.93Å; E187-R227 WeakPolarHBondContact OE1-CD 3.29Å
188E58.5Low57Low88 Ų8865.6 Ų65.641%0.41131%0.307SS..Hα-helixtrans-47.2-46.2168.7-71.1163.7-158.500112H184 R185 S192H184-E188 IonicContact CE1-OE1 3.48Å; H184-E188 PolarHBondContact CE1-OE1 2.99Å; H184-E188 IonicContact CG-OE1 3.71Å; H184-E188 IonicContact ND1-OE1 2.74Å; H184-E188 PolarHBondContact ND1-OE1 3.43Å; H184-E188 WeakPolarHBondContact O-CB 3.38Å; H184-E188 VanDerWaalsContact O-CG 3.31Å; H184-E188 WeakPolarHBondContact O-CG 3.45Å; H184-E188 PolarHBondContact O-N 3.29Å; R185-E188 IonicContact NH1-OE2 3.98Å; E188-S192 VanDerWaalsContact O-CB 3.3Å; E188-S192 WeakPolarHBondContact O-CB 3.43Å; E188-S192 PolarHBondContact O-N 3.4Å; E188-S192 PolarHBondContact O-OG 3.5Å
189G56.4Low56.9Low12 Ų1264.5 Ų64.512%0.12429%0.294CS..Hα-helixtrans-73-38.8-175.200000113.4T160 L186 E187 S192 S193T160-G189 WeakPolarHBondContact CG2-O 3.47Å; L186-G189 PolarHBondContact O-N 2.96Å; E187-G189 PolarHBondContact O-N 3.48Å; G189-S192 WeakPolarHBondContact CA-OG 3.02Å; G189-S192 PolarHBondContact O-OG 3.11Å; G189-S193 VanDerWaalsContact O-CB 3.3Å; G189-S193 WeakPolarHBondContact O-CB 3.35Å; G189-S193 PolarHBondContact O-N 3.28Å
190Q57Low56.6Low45 Ų4568.3 Ų68.321%0.2131%0.31CS..Hα-helixtrans-73.6-42.2179.1-77-178.2-11100109.6T160 L186 E187 S193 W194 A223T160-Q190 HydrophobicContact CG2-CG 4.2Å; L186-Q190 VanDerWaalsContact O-CB 3.28Å; L186-Q190 WeakPolarHBondContact O-CB 3.25Å; L186-Q190 VanDerWaalsContact O-CG 3.28Å; L186-Q190 WeakPolarHBondContact O-CG 3.36Å; L186-Q190 PolarHBondContact O-N 3.09Å; E187-Q190 PolarHBondContact O-N 3.02Å; Q190-S193 WeakPolarHBondContact O-CB 3.31Å; Q190-S193 PolarHBondContact O-N 2.88Å; Q190-S193 VanDerWaalsContact O-N 3.15Å; Q190-W194 VanDerWaalsContact O-CD1 3.26Å; Q190-W194 PolarHBondContact O-N 2.85Å; Q190-A223 HydrophobicContact CB-CB 4.26Å
191A53.9Low56.2Low12 Ų1268.4 Ų68.410%0.09931%0.313CS..Hα-helixtrans-56.7-50.9171.700000111.4E187 S193 W194 S195 A219E187-A191 WeakPolarHBondContact O-CB 3.45Å; E187-A191 PolarHBondContact O-N 2.93Å; A191-S193 PolarHBondContact O-N 3.35Å; A191-W194 PolarHBondContact O-N 2.69Å; A191-S195 WeakPolarHBondContact O-CB 3.32Å; A191-S195 PolarHBondContact O-N 2.96Å; A191-A219 HydrophobicContact CB-CB 4.36Å; A191-A219 VanDerWaalsContact O-CB 3.27Å; A191-A219 WeakPolarHBondContact O-CB 3.36Å
192S57.3Low55.4Low51 Ų5169 Ų6936%0.35731%0.312SS..Hα-helixtrans-71.7-11177.263.10000115.1E188 G189 R196E188-S192 VanDerWaalsContact O-CB 3.3Å; E188-S192 WeakPolarHBondContact O-CB 3.43Å; E188-S192 PolarHBondContact O-N 3.4Å; E188-S192 PolarHBondContact O-OG 3.5Å; G189-S192 WeakPolarHBondContact CA-OG 3.02Å; G189-S192 PolarHBondContact O-OG 3.11Å; S192-R196 VanDerWaalsContact O-CB 3.31Å; S192-R196 WeakPolarHBondContact O-CB 3.33Å; S192-R196 PolarHBondContact O-NE 3.33Å
193S57.1Low54.3Low8 Ų870.9 Ų70.96%0.05633%0.328CS..Hα-helixtrans-80.4-52167.6177.20000111P159 G189 Q190 A191 R196 R197P159-S193 WeakPolarHBondContact CD-OG 3.33Å; G189-S193 VanDerWaalsContact O-CB 3.3Å; G189-S193 WeakPolarHBondContact O-CB 3.35Å; G189-S193 PolarHBondContact O-N 3.28Å; Q190-S193 WeakPolarHBondContact O-CB 3.31Å; Q190-S193 PolarHBondContact O-N 2.88Å; Q190-S193 VanDerWaalsContact O-N 3.15Å; A191-S193 PolarHBondContact O-N 3.35Å; S193-R196 PolarHBondContact O-N 3.14Å; S193-R197 VanDerWaalsContact O-CD 3.3Å; S193-R197 WeakPolarHBondContact O-CD 3.39Å; S193-R197 VanDerWaalsContact O-CG 3.3Å; S193-R197 WeakPolarHBondContact O-CG 3.04Å; S193-R197 PolarHBondContact O-N 2.92Å; S193-R197 VanDerWaalsContact O-N 3.16Å; S193-R197 PolarHBondContact OG-NE 3.46Å
194W56.2Low53Low79 Ų7972.5 Ų72.530%0.29935%0.353SS..Hα-helixtrans-62.3-47.7177.4-82.5110.5000111.9Q190 A191 R196 R197 L198 A219 P233Q190-W194 VanDerWaalsContact O-CD1 3.26Å; Q190-W194 PolarHBondContact O-N 2.85Å; A191-W194 PolarHBondContact O-N 2.69Å; W194-R196 VanDerWaalsContact C-N 3.29Å; W194-R196 PolarHBondContact O-N 3Å; W194-R197 WeakPolarHBondContact O-CB 3.44Å; W194-R197 PolarHBondContact O-N 2.89Å; W194-L198 WeakPolarHBondContact O-CG 3.27Å; W194-L198 PolarHBondContact O-N 2.88Å; W194-A219 HydrophobicContact CB-CB 3.54Å; W194-P233 HydrophobicContact CH2-CB 4.23Å; W194-P233 HydrophobicContact CH2-CG 3.64Å; W194-P233 HydrophobicContact CZ2-CG 4.18Å; W194-P233 HydrophobicContact CZ3-CG 4.38Å
195S54.6Low52.1Low3 Ų372.4 Ų72.42%0.02136%0.359CS..Hα-helixtrans-52.2-45.1174.1178.30000111.7A191 R197 L198 K199 Y215 S216A191-S195 WeakPolarHBondContact O-CB 3.32Å; A191-S195 PolarHBondContact O-N 2.96Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R197 PolarHBondContact O-N 3.05Å; S195-L198 PolarHBondContact O-N 3.47Å; S195-K199 WeakPolarHBondContact O-CB 3.37Å; S195-K199 WeakPolarHBondContact O-CD 3.15Å; S195-K199 WeakPolarHBondContact O-CG 3.49Å; S195-K199 PolarHBondContact O-N 3.4Å; S195-K199 WeakPolarHBondContact OG-CE 3.48Å; S195-K199 PolarHBondContact OG-NZ 3.07Å; S195-Y215 WeakPolarHBondContact CB-O 3.21Å; S195-S216 PolarHBondContact OG-OG 3.36Å
196R59.1Low50.7Low149 Ų14976.3 Ų76.356%0.56237%0.374SS*.Hα-helixtrans-67-31178.5-166.1-174-40.2-151.5-1.3113.6S192 S193 W194 F200S192-R196 VanDerWaalsContact O-CB 3.31Å; S192-R196 WeakPolarHBondContact O-CB 3.33Å; S192-R196 PolarHBondContact O-NE 3.33Å; S193-R196 PolarHBondContact O-N 3.14Å; W194-R196 VanDerWaalsContact C-N 3.29Å; W194-R196 PolarHBondContact O-N 3Å; R196-F200 WeakPolarHBondContact O-CB 3.28Å; R196-F200 PolarHBondContact O-N 3.15Å
197R60.9Low49.5Very low37 Ų3779 Ų7914%0.1440%0.397CS..Hα-helixtrans-76.7-42.4176.9-67.8156176.4-130.7-9.4111.3S12 C155 T156 F157 S193 W194 S195 K199 F200 F201S12-R197 VanDerWaalsContact CB-NH1 3.3Å; S12-R197 VanDerWaalsContact OG-CZ 3.26Å; S12-R197 PolarHBondContact OG-NH1 3.27Å; S12-R197 PolarHBondContact OG-NH2 3.05Å; C155-R197 PolarHBondContact O-NH2 3.09Å; T156-R197 PolarHBondContact O-NH2 3.18Å; F157-R197 VanDerWaalsContact C-NH2 3.33Å; F157-R197 PolarHBondContact O-NH2 2.94Å; S193-R197 VanDerWaalsContact O-CD 3.3Å; S193-R197 WeakPolarHBondContact O-CD 3.39Å; S193-R197 VanDerWaalsContact O-CG 3.3Å; S193-R197 WeakPolarHBondContact O-CG 3.04Å; S193-R197 PolarHBondContact O-N 2.92Å; S193-R197 VanDerWaalsContact O-N 3.16Å; S193-R197 PolarHBondContact OG-NE 3.46Å; W194-R197 WeakPolarHBondContact O-CB 3.44Å; W194-R197 PolarHBondContact O-N 2.89Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R197 PolarHBondContact O-N 3.05Å; R197-K199 VanDerWaalsContact C-N 3.35Å; R197-F200 PolarHBondContact O-N 2.97Å; R197-F200 VanDerWaalsContact O-N 3.16Å; R197-F201 WeakPolarHBondContact O-CD2 3.38Å; R197-F201 PolarHBondContact O-N 3.43Å
198L52.2Low48.9Very low62 Ų6283.2 Ų83.233%0.32542%0.417SS..Hα-helixtrans-57.5-49.2170.6-69.5165.7000110.3W194 S195 F200 F201 M202 Y215W194-L198 WeakPolarHBondContact O-CG 3.27Å; W194-L198 PolarHBondContact O-N 2.88Å; S195-L198 PolarHBondContact O-N 3.47Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 PolarHBondContact O-N 2.96Å; L198-F201 PolarHBondContact O-N 3.32Å; L198-M202 WeakPolarHBondContact O-CB 3.21Å; L198-M202 PolarHBondContact O-N 2.99Å; L198-Y215 HydrophobicContact CB-CD1 4.22Å; L198-Y215 HydrophobicContact CD1-CD1 4.35Å
199K51.4Low48.2Very low70 Ų7086 Ų8630%0.30444%0.435SS..Hα-helixtrans-57.8-33.2173.9-72.2165.1-178.4170.80113.7S195 R197 M202 C203 S212 Y215S195-K199 WeakPolarHBondContact O-CB 3.37Å; S195-K199 WeakPolarHBondContact O-CD 3.15Å; S195-K199 WeakPolarHBondContact O-CG 3.49Å; S195-K199 PolarHBondContact O-N 3.4Å; S195-K199 WeakPolarHBondContact OG-CE 3.48Å; S195-K199 PolarHBondContact OG-NZ 3.07Å; R197-K199 VanDerWaalsContact C-N 3.35Å; K199-M202 CarbonylContact O-C 3.57Å; K199-C203 WeakPolarHBondContact O-CA 3.39Å; K199-C203 WeakPolarHBondContact O-CB 3.45Å; K199-C203 PolarHBondContact O-N 3.18Å; K199-C203 VanDerWaalsContact O-N 3.12Å; K199-S212 WeakPolarHBondContact CE-O 3.27Å; K199-S212 VanDerWaalsContact NZ-CA 3.34Å; K199-S212 PolarHBondContact NZ-O 2.89Å; K199-S212 PolarHBondContact NZ-OG 3.24Å; K199-Y215 HydrophobicContact CG-CD2 4.08Å
200F49.1Very low47.7Very low90 Ų9090 Ų9040%0.39546%0.456SS..Hα-helixtrans-75.7-47.4175.3-176-100000112.8R196 R197 L198 M202 C203R196-F200 WeakPolarHBondContact O-CB 3.28Å; R196-F200 PolarHBondContact O-N 3.15Å; R197-F200 PolarHBondContact O-N 2.97Å; R197-F200 VanDerWaalsContact O-N 3.16Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 PolarHBondContact O-N 2.96Å; F200-M202 PolarHBondContact O-N 3.15Å; F200-C203 WeakPolarHBondContact O-CB 3.47Å; F200-C203 PolarHBondContact O-N 2.83Å; F200-C203 VanDerWaalsContact O-N 3.07Å
201F44.4Very low47.2Very low154 Ų15489.5 Ų89.568%0.67545%0.454SS*.Hα-helixtrans-66.6-25.3177.1-83.3-77.5000113R197 L198R197-F201 WeakPolarHBondContact O-CD2 3.38Å; R197-F201 PolarHBondContact O-N 3.43Å; L198-F201 PolarHBondContact O-N 3.32Å
202M42.2Very low47Very low96 Ų9690.7 Ų90.747%0.47346%0.462SS..THydrogen-bonded Turntrans-99.617.2170.9-69.9-172.4164.600113.7L198 K199 F200 C204 T205 Y215L198-M202 WeakPolarHBondContact O-CB 3.21Å; L198-M202 PolarHBondContact O-N 2.99Å; K199-M202 CarbonylContact O-C 3.57Å; F200-M202 PolarHBondContact O-N 3.15Å; M202-C204 PolarHBondContact O-N 3.36Å; M202-C204 VanDerWaalsContact O-N 3.08Å; M202-T205 PolarHBondContact O-N 2.93Å; M202-T205 PolarHBondContact O-OG1 2.94Å; M202-Y215 HydrophobicContact SD-CE1 4.25Å; M202-Y215 PolarHBondContact SD-OH 3.12Å
203C36.1Very low46.9Very low93 Ų9392.5 Ų92.563%0.62847%0.467SS*.THydrogen-bonded Turntrans-66-16.4-175.7-1600000113.6K199 F200 T205K199-C203 WeakPolarHBondContact O-CA 3.39Å; K199-C203 WeakPolarHBondContact O-CB 3.45Å; K199-C203 PolarHBondContact O-N 3.18Å; K199-C203 VanDerWaalsContact O-N 3.12Å; F200-C203 WeakPolarHBondContact O-CB 3.47Å; F200-C203 PolarHBondContact O-N 2.83Å; F200-C203 VanDerWaalsContact O-N 3.07Å; C203-T205 VanDerWaalsContact C-N 3.28Å; C203-T205 PolarHBondContact O-N 3.45Å
204C32.5Very low46.3Very low135 Ų13592.4 Ų92.491%0.91247%0.467SS*.THydrogen-bonded Turntrans-72.4-16.5170.7-59.20000113.9M202M202-C204 PolarHBondContact O-N 3.36Å; M202-C204 VanDerWaalsContact O-N 3.08Å
205T37.6Very low46.1Very low90 Ų9090.1 Ų90.155%0.55246%0.459SS*.SBendtrans-99.6103.1169.7460000109.7M202 C203 A207M202-T205 PolarHBondContact O-N 2.93Å; M202-T205 PolarHBondContact O-OG1 2.94Å; C203-T205 VanDerWaalsContact C-N 3.28Å; C203-T205 PolarHBondContact O-N 3.45Å; T205-A207 PolarHBondContact O-N 2.91Å
206R32.2Very low46Very low253 Ų25391.7 Ų91.796%0.95547%0.47SS*.  trans-66.388.1-178.3178.4179.8160.9137.5-3.7111.5
207A35Very low45.6Very low63 Ų6389.5 Ų89.552%0.52147%0.466SS..  trans-85.5149179.700000112.8T205 Q211T205-A207 PolarHBondContact O-N 2.91Å; A207-Q211 HydrophobicContact CB-CB 3.96Å; A207-Q211 HydrophobicContact CB-CG 4.16Å
208Q42.7Very low45Very low158 Ų15889 Ų8974%0.73847%0.467SS*.  trans-84.2162171.2-68.7169-47.600111.2T210 Q211Q208-T210 VanDerWaalsContact C-N 3.26Å; Q208-T210 PolarHBondContact O-N 3.32Å; Q208-T210 VanDerWaalsContact O-N 3.12Å; Q208-Q211 WeakPolarHBondContact O-CB 3.33Å; Q208-Q211 PolarHBondContact O-N 3.02Å
209D44.9Very low45.1Very low147 Ų14786.1 Ų86.179%0.78645%0.452SS*.THydrogen-bonded Turntrans-59.6-28.2-171.1-58.2-74.2000114.6Q211 S212D209-Q211 PolarHBondContact O-N 3.19Å; D209-Q211 VanDerWaalsContact O-N 3.14Å; D209-S212 WeakPolarHBondContact O-CB 3.36Å; D209-S212 PolarHBondContact O-N 3.45Å
210T45.1Very low45Very low94 Ų9484 Ų8458%0.57745%0.451SS*.THydrogen-bonded Turntrans-64.4-16.4174.452.30000114.2Q208 S212Q208-T210 VanDerWaalsContact C-N 3.26Å; Q208-T210 PolarHBondContact O-N 3.32Å; Q208-T210 VanDerWaalsContact O-N 3.12Å; T210-S212 VanDerWaalsContact C-N 3.3Å
211Q45.7Very low45.2Very low35 Ų3583 Ų8316%0.16445%0.449CS..Hα-helixtrans-81.3-10.4170.9-62.4-69.4-21.600112.2A207 Q208 D209 D213 Y215 P402A207-Q211 HydrophobicContact CB-CB 3.96Å; A207-Q211 HydrophobicContact CB-CG 4.16Å; Q208-Q211 WeakPolarHBondContact O-CB 3.33Å; Q208-Q211 PolarHBondContact O-N 3.02Å; D209-Q211 PolarHBondContact O-N 3.19Å; D209-Q211 VanDerWaalsContact O-N 3.14Å; Q211-D213 PolarHBondContact O-N 3.09Å; Q211-Y215 HydrophobicContact CB-CE2 4.42Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.45Å; Q211-P402 VanDerWaalsContact OE1-CG 3.27Å
212S50.4Low45.8Very low37 Ų3780.4 Ų80.426%0.25944%0.438SS..Hα-helixtrans-57.4-39.4-179.5164.70000112.2K199 D209 T210 S216K199-S212 WeakPolarHBondContact CE-O 3.27Å; K199-S212 VanDerWaalsContact NZ-CA 3.34Å; K199-S212 PolarHBondContact NZ-O 2.89Å; K199-S212 PolarHBondContact NZ-OG 3.24Å; D209-S212 WeakPolarHBondContact O-CB 3.36Å; D209-S212 PolarHBondContact O-N 3.45Å; T210-S212 VanDerWaalsContact C-N 3.3Å; S212-S216 PolarHBondContact O-OG 2.85Å
213D55.4Low46.5Very low89 Ų8976.4 Ų76.448%0.47642%0.42SS..Hα-helixtrans-93.5-36.8-154.8-57.3-19.4000111.1Q211 Y215 S216 E217Q211-D213 PolarHBondContact O-N 3.09Å; D213-Y215 VanDerWaalsContact C-N 3.28Å; D213-Y215 PolarHBondContact O-N 3.22Å; D213-S216 CarbonylContact O-C 3.52Å; D213-S216 VanDerWaalsContact O-CA 3.3Å; D213-S216 WeakPolarHBondContact O-CA 3.45Å; D213-S216 WeakPolarHBondContact O-CB 3.48Å; D213-S216 PolarHBondContact O-N 3.33Å; D213-S216 PolarHBondContact O-OG 3.25Å; D213-E217 PolarHBondContact O-N 3.26Å
214A44.3Very low47.4Very low6 Ų675.1 Ų75.15%0.0541%0.405CS..Hα-helixtrans-53.8-41.6166.600000112.4S216 E217 V218 P402 L406A214-S216 PolarHBondContact O-N 2.9Å; A214-E217 PolarHBondContact O-N 3.42Å; A214-V218 WeakPolarHBondContact O-CB 3.43Å; A214-V218 VanDerWaalsContact O-CG2 3.22Å; A214-V218 WeakPolarHBondContact O-CG2 3.29Å; A214-V218 PolarHBondContact O-N 3.5Å; A214-P402 HydrophobicContact CB-CB 4.27Å; A214-L406 HydrophobicContact CB-CD2 4.37Å
215Y52.6Low48.9Very low31 Ų3170.5 Ų70.512%0.12237%0.369CS..Hα-helixtrans-65.5-22.6173.7-69.7-57.2000113.6S195 L198 K199 M202 Q211 D213 A219 P402S195-Y215 WeakPolarHBondContact CB-O 3.21Å; L198-Y215 HydrophobicContact CB-CD1 4.22Å; L198-Y215 HydrophobicContact CD1-CD1 4.35Å; K199-Y215 HydrophobicContact CG-CD2 4.08Å; M202-Y215 HydrophobicContact SD-CE1 4.25Å; M202-Y215 PolarHBondContact SD-OH 3.12Å; Q211-Y215 HydrophobicContact CB-CE2 4.42Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.45Å; D213-Y215 VanDerWaalsContact C-N 3.28Å; D213-Y215 PolarHBondContact O-N 3.22Å; Y215-A219 WeakPolarHBondContact O-CB 3.4Å; Y215-A219 PolarHBondContact O-N 3.02Å; Y215-P402 HydrophobicContact CE1-CB 4.28Å; Y215-P402 HydrophobicContact CE1-CG 4.17Å; Y215-P402 HydrophobicContact CE2-CG 4.41Å; Y215-P402 WeakPolarHBondContact OH-CG 3.22Å
216S52.8Low50.1Low37 Ų3767.3 Ų67.326%0.25935%0.348SS..Hα-helixtrans-78.6-37.6173.8-45.60000111.7S195 S212 D213 A214 A219 G220S195-S216 PolarHBondContact OG-OG 3.36Å; S212-S216 PolarHBondContact O-OG 2.85Å; D213-S216 CarbonylContact O-C 3.52Å; D213-S216 VanDerWaalsContact O-CA 3.3Å; D213-S216 WeakPolarHBondContact O-CA 3.45Å; D213-S216 WeakPolarHBondContact O-CB 3.48Å; D213-S216 PolarHBondContact O-N 3.33Å; D213-S216 PolarHBondContact O-OG 3.25Å; A214-S216 PolarHBondContact O-N 2.9Å; S216-A219 CarbonylContact O-C 3.56Å; S216-A219 PolarHBondContact O-N 3Å; S216-G220 PolarHBondContact O-N 3.4Å
217E49.7Very low51.2Low103 Ų10359.3 Ų59.348%0.48132%0.317SS..Hα-helixtrans-75.2-44.1179.2-69.8178.3-132.400111.9D213 A214 A219 G220 L221 L406D213-E217 PolarHBondContact O-N 3.26Å; A214-E217 PolarHBondContact O-N 3.42Å; E217-A219 VanDerWaalsContact C-N 3.27Å; E217-A219 PolarHBondContact O-N 2.88Å; E217-G220 WeakPolarHBondContact O-CA 3.45Å; E217-G220 PolarHBondContact O-N 2.88Å; E217-L221 PolarHBondContact O-N 3.16Å; E217-L406 HydrophobicContact CB-CD1 3.73Å; E217-L406 WeakPolarHBondContact OE2-CD1 3.48Å; E217-L406 WeakPolarHBondContact OE2-CD2 3.4Å
218V49.4Very low52.1Low25 Ų2561.5 Ų61.515%0.15232%0.32CS..Hα-helixtrans-53.4-47.7167.3174.90000110.1A214 G220 L221 F222 L409A214-V218 WeakPolarHBondContact O-CB 3.43Å; A214-V218 VanDerWaalsContact O-CG2 3.22Å; A214-V218 WeakPolarHBondContact O-CG2 3.29Å; A214-V218 PolarHBondContact O-N 3.5Å; V218-G220 VanDerWaalsContact C-N 3.31Å; V218-G220 PolarHBondContact O-N 3.2Å; V218-L221 PolarHBondContact O-N 2.89Å; V218-F222 HydrophobicContact CG1-CD2 4.11Å; V218-F222 HydrophobicContact CG1-CE2 4.3Å; V218-F222 WeakPolarHBondContact O-CD2 3.32Å; V218-F222 PolarHBondContact O-N 2.91Å; V218-L409 HydrophobicContact CB-CD1 4.32Å; V218-L409 HydrophobicContact CG1-CD1 4.24Å; V218-L409 HydrophobicContact CG2-CD1 3.8Å
219A52.7Low52.9Low2 Ų255.5 Ų55.52%0.01729%0.293CS..Hα-helixtrans-66.3-31177.500000113.6A191 W194 Y215 S216 E217 A223A191-A219 HydrophobicContact CB-CB 4.36Å; A191-A219 VanDerWaalsContact O-CB 3.27Å; A191-A219 WeakPolarHBondContact O-CB 3.36Å; W194-A219 HydrophobicContact CB-CB 3.54Å; Y215-A219 WeakPolarHBondContact O-CB 3.4Å; Y215-A219 PolarHBondContact O-N 3.02Å; S216-A219 CarbonylContact O-C 3.56Å; S216-A219 PolarHBondContact O-N 3Å; E217-A219 VanDerWaalsContact C-N 3.27Å; E217-A219 PolarHBondContact O-N 2.88Å; A219-A223 WeakPolarHBondContact O-CB 3.47Å; A219-A223 PolarHBondContact O-N 3.27Å
220G50Low53.7Low27 Ų2750 Ų5028%0.27826%0.264SS..Hα-helixtrans-66.4-49.8173.900000111.3S216 E217 V218 F222 A223 E224S216-G220 PolarHBondContact O-N 3.4Å; E217-G220 WeakPolarHBondContact O-CA 3.45Å; E217-G220 PolarHBondContact O-N 2.88Å; V218-G220 VanDerWaalsContact C-N 3.31Å; V218-G220 PolarHBondContact O-N 3.2Å; G220-F222 PolarHBondContact O-N 3.48Å; G220-A223 CarbonylContact O-C 2.99Å; G220-A223 WeakPolarHBondContact O-CA 3.49Å; G220-A223 WeakPolarHBondContact O-CB 3.49Å; G220-A223 PolarHBondContact O-N 3.42Å; G220-A223 VanDerWaalsContact O-N 3.09Å; G220-E224 WeakPolarHBondContact O-CB 3.18Å; G220-E224 PolarHBondContact O-N 2.93Å
221L54.2Low54.8Low68 Ų6846.9 Ų46.936%0.35624%0.243SC..Hα-helixtrans-63.5-40.7176.7-70.4170.7000112.4E217 V218 A223 E224 F225 L409E217-L221 PolarHBondContact O-N 3.16Å; V218-L221 PolarHBondContact O-N 2.89Å; L221-A223 VanDerWaalsContact C-N 3.34Å; L221-A223 PolarHBondContact O-N 2.62Å; L221-E224 PolarHBondContact O-N 2.94Å; L221-F225 VanDerWaalsContact O-CB 3.25Å; L221-F225 WeakPolarHBondContact O-CB 3.47Å; L221-F225 PolarHBondContact O-N 2.8Å; L221-L409 HydrophobicContact CD1-CB 3.7Å; L221-L409 HydrophobicContact CD1-CD1 4.38Å; L221-L409 HydrophobicContact CD1-CG 4.48Å
222F57.4Low56.1Low99 Ų9945.4 Ų45.443%0.43424%0.237SC..Hα-helixtrans-64.7-36.4171-91.8-93.5000112.5V218 G220 F226V218-F222 HydrophobicContact CG1-CD2 4.11Å; V218-F222 HydrophobicContact CG1-CE2 4.3Å; V218-F222 WeakPolarHBondContact O-CD2 3.32Å; V218-F222 PolarHBondContact O-N 2.91Å; G220-F222 PolarHBondContact O-N 3.48Å; F222-F226 HydrophobicContact CD1-CE2 4.25Å; F222-F226 WeakPolarHBondContact O-CD2 3.46Å; F222-F226 PolarHBondContact O-N 2.97Å
223A55.3Low57.1Low12 Ų1245.9 Ų45.910%0.09924%0.239CC..Hα-helixtrans-70.7-32.7174.600000112.6Q190 A219 G220 L221 F226 R227Q190-A223 HydrophobicContact CB-CB 4.26Å; A219-A223 WeakPolarHBondContact O-CB 3.47Å; A219-A223 PolarHBondContact O-N 3.27Å; G220-A223 CarbonylContact O-C 2.99Å; G220-A223 WeakPolarHBondContact O-CA 3.49Å; G220-A223 WeakPolarHBondContact O-CB 3.49Å; G220-A223 PolarHBondContact O-N 3.42Å; G220-A223 VanDerWaalsContact O-N 3.09Å; L221-A223 VanDerWaalsContact C-N 3.34Å; L221-A223 PolarHBondContact O-N 2.62Å; A223-F226 CarbonylContact O-C 3.58Å; A223-R227 WeakPolarHBondContact O-CA 3.37Å; A223-R227 WeakPolarHBondContact O-CB 3.39Å; A223-R227 PolarHBondContact O-N 2.83Å
224E56.6Low58.1Low67 Ų6742.6 Ų42.631%0.31322%0.223SC..Hα-helixtrans-72.8-48175.4178151-132.100111.9G220 L221 F226 R227 L593G220-E224 WeakPolarHBondContact O-CB 3.18Å; G220-E224 PolarHBondContact O-N 2.93Å; L221-E224 PolarHBondContact O-N 2.94Å; E224-F226 PolarHBondContact O-N 3.29Å; E224-F226 VanDerWaalsContact O-N 3.15Å; E224-R227 VanDerWaalsContact O-CB 3.24Å; E224-R227 WeakPolarHBondContact O-CB 3.46Å; E224-R227 PolarHBondContact O-N 3.4Å; E224-R227 IonicContact OE1-CZ 3.33Å; E224-R227 IonicContact OE1-NH1 3.71Å; E224-R227 PolarHBondContact OE1-NH1 3.27Å; E224-R227 IonicContact OE1-NH2 3.44Å; E224-L593 HydrophobicContact CG-CD2 3.8Å; E224-L593 WeakPolarHBondContact OE1-CD2 3.41Å
225F63.7Low59.9Low37 Ų3742.4 Ų42.416%0.16222%0.221CC..Hα-helixtrans-58.6-28.8177.1-173.4-98.5000112.6L221 L533 F536 R537L221-F225 VanDerWaalsContact O-CB 3.25Å; L221-F225 WeakPolarHBondContact O-CB 3.47Å; L221-F225 PolarHBondContact O-N 2.8Å; F225-L533 HydrophobicContact CE2-CB 3.95Å; F225-L533 HydrophobicContact CE2-CD2 4.5Å; F225-L533 WeakPolarHBondContact CE2-O 3.37Å; F225-L533 HydrophobicContact CZ-CD2 4.47Å; F225-L533 WeakPolarHBondContact CZ-O 3.38Å; F225-F536 HydrophobicContact CE1-CD1 4.49Å; F225-F536 HydrophobicContact CZ-CD1 4.09Å; F225-R537 HydrophobicContact CE1-CB 4.17Å; F225-R537 HydrophobicContact CE1-CG 4.28Å; F225-R537 HydrophobicContact CE2-CB 3.9Å; F225-R537 HydrophobicContact CE2-CG 4.4Å; F225-R537 HydrophobicContact CZ-CB 3.52Å; F225-R537 HydrophobicContact CZ-CG 4.06Å; F225-R537 WeakPolarHBondContact O-CD 3.42Å; F225-R537 PolarHBondContact O-NE 3.22Å; F225-R537 VanDerWaalsContact O-NE 3.15Å; F225-R537 PolarHBondContact O-NH1 2.99Å
226F61.6Low61.2Low23 Ų2342.2 Ų42.210%0.10122%0.222CC..THydrogen-bonded Turntrans-108.616173.1-64.2-68000114.6F222 A223 E224 D228 L229 I231 I236 L540F222-F226 HydrophobicContact CD1-CE2 4.25Å; F222-F226 WeakPolarHBondContact O-CD2 3.46Å; F222-F226 PolarHBondContact O-N 2.97Å; A223-F226 CarbonylContact O-C 3.58Å; E224-F226 PolarHBondContact O-N 3.29Å; E224-F226 VanDerWaalsContact O-N 3.15Å; F226-D228 PolarHBondContact O-N 3.12Å; F226-L229 HydrophobicContact CD1-CD1 3.9Å; F226-L229 WeakPolarHBondContact O-CA 3.39Å; F226-L229 WeakPolarHBondContact O-CB 3.35Å; F226-L229 PolarHBondContact O-N 3.33Å; F226-I231 HydrophobicContact CD1-CD1 4.37Å; F226-I236 HydrophobicContact CD2-CD1 4.2Å; F226-I236 HydrophobicContact CE1-CD1 4.25Å; F226-I236 HydrophobicContact CE1-CG1 4.35Å; F226-I236 HydrophobicContact CE2-CD1 3.58Å; F226-I236 HydrophobicContact CE2-CG1 4.48Å; F226-I236 HydrophobicContact CZ-CD1 3.61Å; F226-I236 HydrophobicContact CZ-CG1 4.03Å; F226-I236 HydrophobicContact CZ-CG2 4.46Å; F226-L540 HydrophobicContact CE1-CD2 4.14Å; F226-L540 HydrophobicContact CZ-CD2 4.36Å
227R56.6Low62.5Low85 Ų8544.8 Ų44.832%0.32123%0.232SC..THydrogen-bonded Turntrans-57.4-42.1-167.6-168.6167.965.8-153.50.8115.1E187 A223 E224 L229E187-R227 WeakPolarHBondContact OE1-CD 3.29Å; A223-R227 WeakPolarHBondContact O-CA 3.37Å; A223-R227 WeakPolarHBondContact O-CB 3.39Å; A223-R227 PolarHBondContact O-N 2.83Å; E224-R227 VanDerWaalsContact O-CB 3.24Å; E224-R227 WeakPolarHBondContact O-CB 3.46Å; E224-R227 PolarHBondContact O-N 3.4Å; E224-R227 IonicContact OE1-CZ 3.33Å; E224-R227 IonicContact OE1-NH1 3.71Å; E224-R227 PolarHBondContact OE1-NH1 3.27Å; E224-R227 IonicContact OE1-NH2 3.44Å; R227-L229 PolarHBondContact O-N 3.12Å
228D53.2Low64.1Low109 Ų10939.9 Ų39.958%0.58321%0.209SC*.THydrogen-bonded Turntrans-79.9-2.4-177.5-46.4-69.5000112.8F226 R537F226-D228 PolarHBondContact O-N 3.12Å; D228-R537 IonicContact OD2-CZ 3.79Å; D228-R537 IonicContact OD2-NH1 3.91Å; D228-R537 IonicContact OD2-NH2 3.52Å; D228-R537 PolarHBondContact OD2-NH2 2.94Å
229L59Low65.9Low33 Ų3338.7 Ų38.717%0.17320%0.202CC..  trans-118.9109-162.1-58.6166.1000110F226 R227 I231 L541F226-L229 HydrophobicContact CD1-CD1 3.9Å; F226-L229 WeakPolarHBondContact O-CA 3.39Å; F226-L229 WeakPolarHBondContact O-CB 3.35Å; F226-L229 PolarHBondContact O-N 3.33Å; R227-L229 PolarHBondContact O-N 3.12Å; L229-I231 HydrophobicContact CB-CB 4.3Å; L229-I231 HydrophobicContact CB-CD1 3.79Å; L229-I231 HydrophobicContact CB-CG1 3.96Å; L229-I231 HydrophobicContact CD1-CD1 4.11Å; L229-I231 HydrophobicContact CG-CD1 4.36Å; L229-I231 PolarHBondContact O-N 2.85Å; L229-L541 HydrophobicContact CD1-CD1 4.05Å; L229-L541 HydrophobicContact CD1-CD2 3.83Å; L229-L541 HydrophobicContact CD1-CG 4.35Å; L229-L541 HydrophobicContact CD2-CD1 4.1Å; L229-L541 HydrophobicContact CD2-CD2 3.56Å; L229-L541 HydrophobicContact CD2-CG 4.48Å; L229-L541 HydrophobicContact CG-CD2 4.31Å
230D63Low67.4Low31 Ų3140.8 Ų40.817%0.16621%0.212CC..  trans-71.569.4169.7-164.4-15.6000108.5M1 P2 G3 R10 F164 K168M1-D230 CarbonylContact C-O 3.57Å; M1-D230 WeakPolarHBondContact CA-O 3.27Å; M1-D230 PolarHBondContact N-O 3.07Å; P2-D230 WeakPolarHBondContact CA-OD1 3.48Å; G3-D230 PolarHBondContact N-OD1 3Å; R10-D230 IonicContact CZ-OD1 2.96Å; R10-D230 IonicContact NE-OD1 3.29Å; R10-D230 PolarHBondContact NE-OD1 3.02Å; R10-D230 IonicContact NH2-OD1 3.64Å; R10-D230 PolarHBondContact NH2-OD1 3.27Å; F164-D230 WeakPolarHBondContact CE1-OD2 3.45Å; F164-D230 HydrophobicContact CZ-CB 4.32Å; F164-D230 WeakPolarHBondContact CZ-OD2 3.23Å; K168-D230 IonicContact NZ-OD2 2.91Å; K168-D230 PolarHBondContact NZ-OD2 3.21Å
231I67.9Low69Low28 Ų2840.5 Ų40.514%0.14421%0.205CC..  trans-108.9147.4-172.6-86.2179.4000111.5F226 L229 D235 I236 L541F226-I231 HydrophobicContact CD1-CD1 4.37Å; L229-I231 HydrophobicContact CB-CB 4.3Å; L229-I231 HydrophobicContact CB-CD1 3.79Å; L229-I231 HydrophobicContact CB-CG1 3.96Å; L229-I231 HydrophobicContact CD1-CD1 4.11Å; L229-I231 HydrophobicContact CG-CD1 4.36Å; L229-I231 PolarHBondContact O-N 2.85Å; I231-D235 HydrophobicContact CG2-CB 4.35Å; I231-I236 HydrophobicContact CG2-CD1 4.22Å; I231-I236 HydrophobicContact CG2-CG1 3.81Å; I231-L541 HydrophobicContact CD1-CD2 4.17Å
232V72.9Confident70.6Confident4 Ų437.9 Ų37.92%0.02419%0.191CC..  trans-106.1146.7173.6-175.80000109.1S12 D17 S234 D235S12-V232 WeakPolarHBondContact O-CG1 3.3Å; D17-V232 WeakPolarHBondContact OD2-CG1 3.47Å; V232-S234 WeakPolarHBondContact CG1-OG 3.24Å; V232-S234 PolarHBondContact O-N 3.17Å; V232-S234 VanDerWaalsContact O-N 3.1Å; V232-D235 PolarHBondContact N-OD2 3.17Å; V232-D235 WeakPolarHBondContact O-CA 3.14Å; V232-D235 VanDerWaalsContact O-CB 3.27Å; V232-D235 WeakPolarHBondContact O-CB 3.43Å; V232-D235 PolarHBondContact O-N 3Å
233P70.9Confident72Confident47 Ų4733.5 Ų33.531%0.30517%0.173SC..Hα-helixtrans-58.2-29.5-174.5-26.735.9000114.7W194 D235 I236 I237W194-P233 HydrophobicContact CH2-CB 4.23Å; W194-P233 HydrophobicContact CH2-CG 3.64Å; W194-P233 HydrophobicContact CZ2-CG 4.18Å; W194-P233 HydrophobicContact CZ3-CG 4.38Å; P233-D235 VanDerWaalsContact C-N 3.34Å; P233-I236 WeakPolarHBondContact O-CB 3.16Å; P233-I236 PolarHBondContact O-N 3.48Å; P233-I237 PolarHBondContact O-N 2.95Å
234S76Confident73.4Confident21 Ų2135.5 Ų35.515%0.14718%0.178CC..Hα-helixtrans-69.6-26.2173.452.30000114.1D17 V232 I236 I237 A238 K551D17-S234 WeakPolarHBondContact OD1-CB 3.02Å; D17-S234 PolarHBondContact OD1-OG 2.93Å; D17-S234 PolarHBondContact OD2-OG 3.26Å; V232-S234 WeakPolarHBondContact CG1-OG 3.24Å; V232-S234 PolarHBondContact O-N 3.17Å; V232-S234 VanDerWaalsContact O-N 3.1Å; S234-I236 VanDerWaalsContact C-N 3.28Å; S234-I237 PolarHBondContact O-N 3.17Å; S234-A238 WeakPolarHBondContact O-CB 3.43Å; S234-A238 PolarHBondContact O-N 3.3Å; S234-K551 PolarHBondContact OG-NZ 2.98Å
235D82.3Confident74.7Confident1 Ų134.1 Ų34.11%0.00517%0.171CC..Hα-helixtrans-66.6-34.6171.1-54.3-23.4000109.9M1 I231 V232 P233 A238 G239 K551M1-D235 PolarHBondContact N-OD2 3.5Å; M1-D235 HydrophobicContact SD-CB 4.33Å; I231-D235 HydrophobicContact CG2-CB 4.35Å; V232-D235 PolarHBondContact N-OD2 3.17Å; V232-D235 WeakPolarHBondContact O-CA 3.14Å; V232-D235 VanDerWaalsContact O-CB 3.27Å; V232-D235 WeakPolarHBondContact O-CB 3.43Å; V232-D235 PolarHBondContact O-N 3Å; P233-D235 VanDerWaalsContact C-N 3.34Å; D235-A238 PolarHBondContact O-N 3Å; D235-G239 PolarHBondContact O-N 3.36Å; D235-K551 IonicContact OD1-NZ 2.63Å; D235-K551 PolarHBondContact OD1-NZ 2.95Å
236I80Confident75.8Confident27 Ų2734.7 Ų34.714%0.13818%0.178CC..Hα-helixtrans-65.5-44.5174.6-53.8172.3000109.8F226 I231 P233 S234 G239 L240 L540F226-I236 HydrophobicContact CD2-CD1 4.2Å; F226-I236 HydrophobicContact CE1-CD1 4.25Å; F226-I236 HydrophobicContact CE1-CG1 4.35Å; F226-I236 HydrophobicContact CE2-CD1 3.58Å; F226-I236 HydrophobicContact CE2-CG1 4.48Å; F226-I236 HydrophobicContact CZ-CD1 3.61Å; F226-I236 HydrophobicContact CZ-CG1 4.03Å; F226-I236 HydrophobicContact CZ-CG2 4.46Å; I231-I236 HydrophobicContact CG2-CD1 4.22Å; I231-I236 HydrophobicContact CG2-CG1 3.81Å; P233-I236 WeakPolarHBondContact O-CB 3.16Å; P233-I236 PolarHBondContact O-N 3.48Å; S234-I236 VanDerWaalsContact C-N 3.28Å; I236-G239 PolarHBondContact O-N 3.29Å; I236-L240 HydrophobicContact CG2-CD1 4.16Å; I236-L240 WeakPolarHBondContact O-CB 3.49Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.01Å; I236-L540 HydrophobicContact CG2-CD2 4.28Å
237I79.9Confident77.1Confident92 Ų9234 Ų3447%0.47218%0.175SC..Hα-helixtrans-61-46.1175.7-61.2172.6000110.8P233 S234 G239 L240 V241 I555P233-I237 PolarHBondContact O-N 2.95Å; S234-I237 PolarHBondContact O-N 3.17Å; I237-G239 PolarHBondContact O-N 2.93Å; I237-L240 PolarHBondContact O-N 3.4Å; I237-V241 WeakPolarHBondContact O-CG2 3.04Å; I237-V241 PolarHBondContact O-N 3.25Å; I237-I555 HydrophobicContact CG2-CG1 4.42Å
238A84.1Confident78.5Confident0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-62.6-41.7176.400000112.1I85 S234 D235 V241 L242 K551 I554 I555I85-A238 HydrophobicContact CD1-CB 3.91Å; S234-A238 WeakPolarHBondContact O-CB 3.43Å; S234-A238 PolarHBondContact O-N 3.3Å; D235-A238 PolarHBondContact O-N 3Å; A238-V241 PolarHBondContact O-N 3.41Å; A238-L242 WeakPolarHBondContact O-CG 3.22Å; A238-L242 PolarHBondContact O-N 3.49Å; A238-K551 HydrophobicContact CB-CD 4.3Å; A238-K551 HydrophobicContact CB-CG 4.04Å; A238-I554 HydrophobicContact CB-CG2 4.08Å; A238-I554 WeakPolarHBondContact O-CG2 3.48Å; A238-I555 HydrophobicContact CB-CD1 4.49Å; A238-I555 HydrophobicContact CB-CG1 4.23Å
239G85.7Confident80Confident0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-63.6-40.1175.200000112.9D235 I236 I237 L242 L243D235-G239 PolarHBondContact O-N 3.36Å; I236-G239 PolarHBondContact O-N 3.29Å; I237-G239 PolarHBondContact O-N 2.93Å; G239-L242 PolarHBondContact O-N 2.84Å; G239-L243 VanDerWaalsContact O-CB 3.24Å; G239-L243 WeakPolarHBondContact O-CB 3.42Å; G239-L243 PolarHBondContact O-N 3.21Å
240L85.6Confident81.3Confident45 Ų4536.1 Ų36.124%0.23618%0.179CC..Hα-helixtrans-62.8-42.3173.9-78166.3000111.7I236 I237 L243 R244 F536 L540 I644I236-L240 HydrophobicContact CG2-CD1 4.16Å; I236-L240 WeakPolarHBondContact O-CB 3.49Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.01Å; I237-L240 PolarHBondContact O-N 3.4Å; L240-L243 PolarHBondContact O-N 3.46Å; L240-R244 WeakPolarHBondContact O-CB 3.44Å; L240-R244 PolarHBondContact O-N 3.18Å; L240-F536 HydrophobicContact CD2-CE2 3.78Å; L240-F536 HydrophobicContact CD2-CZ 3.75Å; L240-L540 HydrophobicContact CG-CD1 4.44Å; L240-I644 HydrophobicContact CB-CG2 4.4Å; L240-I644 HydrophobicContact CD2-CD1 3.73Å; L240-I644 HydrophobicContact CD2-CG1 4.25Å; L240-I644 HydrophobicContact CD2-CG2 3.97Å
241V83.1Confident82.5Confident22 Ų2236.7 Ų36.713%0.13318%0.179CC..Hα-helixtrans-64.9-45.1176173.30000111.4I237 A238 R244 Q245 I554I237-V241 WeakPolarHBondContact O-CG2 3.04Å; I237-V241 PolarHBondContact O-N 3.25Å; A238-V241 PolarHBondContact O-N 3.41Å; V241-R244 PolarHBondContact O-N 2.88Å; V241-Q245 WeakPolarHBondContact O-CG 3.25Å; V241-Q245 PolarHBondContact O-N 2.83Å; V241-I554 HydrophobicContact CB-CG2 4.24Å; V241-I554 HydrophobicContact CG1-CG2 4.17Å; V241-I554 WeakPolarHBondContact CG1-O 3.16Å
242L87.1Confident83.3Confident12 Ų1238 Ų386%0.06319%0.191CC..Hα-helixtrans-60.9-47.4174.5-70.1167.4000111.5A238 G239 R244 Q245 T246 V543 L544 I554A238-L242 WeakPolarHBondContact O-CG 3.22Å; A238-L242 PolarHBondContact O-N 3.49Å; G239-L242 PolarHBondContact O-N 2.84Å; L242-R244 VanDerWaalsContact C-N 3.31Å; L242-R244 PolarHBondContact O-N 3.09Å; L242-Q245 CarbonylContact O-C 3.53Å; L242-Q245 WeakPolarHBondContact O-CA 3.45Å; L242-Q245 WeakPolarHBondContact O-CB 3.31Å; L242-Q245 PolarHBondContact O-N 3.01Å; L242-T246 PolarHBondContact O-N 3.15Å; L242-T246 PolarHBondContact O-OG1 3.39Å; L242-V543 HydrophobicContact CB-CB 3.92Å; L242-V543 HydrophobicContact CB-CG2 3.77Å; L242-V543 HydrophobicContact CD1-CG2 4.44Å; L242-L544 HydrophobicContact CD1-CD2 4.3Å; L242-I554 HydrophobicContact CD1-CD1 4.2Å; L242-I554 HydrophobicContact CD1-CG2 4.39Å; L242-I554 HydrophobicContact CD2-CD1 4.29Å; L242-I554 HydrophobicContact CD2-CG1 4.22Å; L242-I554 HydrophobicContact CD2-CG2 4Å; L242-I554 HydrophobicContact CG-CD1 4.46Å; L242-I554 HydrophobicContact CG-CG2 3.75Å
243L87.1Confident84Confident8 Ų841.5 Ų41.54%0.04221%0.209CC..Hα-helixtrans-62.1-39.9-179.6-175.957.2000111.2G239 L240 Q245 T246 Q247 F536 H539 V543 I644G239-L243 VanDerWaalsContact O-CB 3.24Å; G239-L243 WeakPolarHBondContact O-CB 3.42Å; G239-L243 PolarHBondContact O-N 3.21Å; L240-L243 PolarHBondContact O-N 3.46Å; L243-Q245 PolarHBondContact O-N 3.45Å; L243-T246 PolarHBondContact O-N 3.12Å; L243-Q247 HydrophobicContact CD1-CG 4.31Å; L243-Q247 WeakPolarHBondContact O-CB 3.27Å; L243-Q247 WeakPolarHBondContact O-CG 3.32Å; L243-Q247 PolarHBondContact O-N 3.48Å; L243-F536 HydrophobicContact CD2-CD2 3.83Å; L243-F536 HydrophobicContact CD2-CE2 3.81Å; L243-H539 HydrophobicContact CD1-CB 3.89Å; L243-H539 HydrophobicContact CD2-CB 4.31Å; L243-V543 HydrophobicContact CB-CG2 4.24Å; L243-V543 HydrophobicContact CD1-CG1 4.35Å; L243-I644 HydrophobicContact CB-CG1 4.36Å; L243-I644 HydrophobicContact CD2-CD1 4.26Å; L243-I644 HydrophobicContact CD2-CG1 3.87Å; L243-I644 HydrophobicContact CG-CG1 3.96Å
244R86.3Confident84.8Confident54 Ų5441.2 Ų41.220%0.20421%0.207CC..Hα-helixtrans-61.3-39.5171-179.4176.3175.2-1383.4112.6L240 V241 L242 R248 G558 I644L240-R244 WeakPolarHBondContact O-CB 3.44Å; L240-R244 PolarHBondContact O-N 3.18Å; V241-R244 PolarHBondContact O-N 2.88Å; L242-R244 VanDerWaalsContact C-N 3.31Å; L242-R244 PolarHBondContact O-N 3.09Å; R244-R248 WeakPolarHBondContact O-CB 3.33Å; R244-R248 WeakPolarHBondContact O-CG 3.48Å; R244-R248 PolarHBondContact O-N 3.48Å; R244-G558 PolarHBondContact NH1-O 2.93Å; R244-I644 HydrophobicContact CB-CB 4.01Å; R244-I644 HydrophobicContact CB-CG2 3.93Å; R244-I644 WeakPolarHBondContact CG-O 3.41Å
245Q83.9Confident85.2Confident37 Ų3744.1 Ų44.117%0.17322%0.22CC..Hα-helixtrans-67-47.5175.3-72.9175.3-4.400111.1V241 L242 L243 Q247 R248 S249 G557 L567V241-Q245 WeakPolarHBondContact O-CG 3.25Å; V241-Q245 PolarHBondContact O-N 2.83Å; L242-Q245 CarbonylContact O-C 3.53Å; L242-Q245 WeakPolarHBondContact O-CA 3.45Å; L242-Q245 WeakPolarHBondContact O-CB 3.31Å; L242-Q245 PolarHBondContact O-N 3.01Å; L243-Q245 PolarHBondContact O-N 3.45Å; Q245-Q247 PolarHBondContact O-N 3.04Å; Q245-R248 PolarHBondContact O-N 3.28Å; Q245-S249 PolarHBondContact O-N 3.31Å; Q245-G557 PolarHBondContact NE2-O 2.74Å; Q245-G557 VanDerWaalsContact NE2-O 3.11Å; Q245-L567 HydrophobicContact CB-CD2 4.29Å; Q245-L567 HydrophobicContact CG-CD2 4.39Å
246T86.8Confident85.2Confident49 Ų4947.2 Ų47.230%0.30125%0.252SS..Hα-helixtrans-61.3-44175.5-57.20000112.1L242 L243 R248 S249 K250L242-T246 PolarHBondContact O-N 3.15Å; L242-T246 PolarHBondContact O-OG1 3.39Å; L243-T246 PolarHBondContact O-N 3.12Å; T246-R248 VanDerWaalsContact C-N 3.3Å; T246-R248 PolarHBondContact O-N 2.91Å; T246-S249 PolarHBondContact O-N 2.79Å; T246-K250 HydrophobicContact CG2-CD 4.29Å; T246-K250 HydrophobicContact CG2-CG 4.44Å; T246-K250 WeakPolarHBondContact O-CB 3.33Å; T246-K250 WeakPolarHBondContact O-CG 3.5Å; T246-K250 PolarHBondContact O-N 3.01Å
247Q88.5Confident85.6Confident10 Ų1051.6 Ų51.65%0.04727%0.272CS..Hα-helixtrans-65.1-28.5175.7-86.4-174.7-16.600113.5L243 Q245 R251 E641 V642L243-Q247 HydrophobicContact CD1-CG 4.31Å; L243-Q247 WeakPolarHBondContact O-CB 3.27Å; L243-Q247 WeakPolarHBondContact O-CG 3.32Å; L243-Q247 PolarHBondContact O-N 3.48Å; Q245-Q247 PolarHBondContact O-N 3.04Å; Q247-R251 VanDerWaalsContact O-CG 3.32Å; Q247-R251 WeakPolarHBondContact O-CG 3.31Å; Q247-R251 PolarHBondContact O-NH1 2.72Å; Q247-E641 PolarHBondContact NE2-OE1 3.27Å; Q247-V642 PolarHBondContact NE2-O 2.87Å
248R85.2Confident85.3Confident133 Ų13352.6 Ų52.650%0.50229%0.294SS..Hα-helixtrans-75.7-44.4170.1-82.7176.9157.1-168.5-10111.4R244 Q245 T246 R251 S252R244-R248 WeakPolarHBondContact O-CB 3.33Å; R244-R248 WeakPolarHBondContact O-CG 3.48Å; R244-R248 PolarHBondContact O-N 3.48Å; Q245-R248 PolarHBondContact O-N 3.28Å; T246-R248 VanDerWaalsContact C-N 3.3Å; T246-R248 PolarHBondContact O-N 2.91Å; R248-R251 PolarHBondContact O-N 3.28Å; R248-S252 PolarHBondContact O-N 3.19Å
249S84.8Confident85Confident26 Ų2660.6 Ų60.618%0.18234%0.337CS..Hα-helixtrans-60.2-53.4178.8-1630000111.4Q245 T246 R251 S252 N253Q245-S249 PolarHBondContact O-N 3.31Å; T246-S249 PolarHBondContact O-N 2.79Å; S249-R251 VanDerWaalsContact C-N 3.33Å; S249-R251 PolarHBondContact O-N 2.9Å; S249-S252 CarbonylContact O-C 3.58Å; S249-S252 WeakPolarHBondContact O-CA 3.38Å; S249-S252 WeakPolarHBondContact O-CB 3.46Å; S249-S252 PolarHBondContact O-N 3.32Å; S249-N253 PolarHBondContact O-N 3.39Å; S249-N253 PolarHBondContact O-OD1 2.78Å
250K87.3Confident84.8Confident111 Ų11163.3 Ų63.348%0.48335%0.351SS..Hα-helixtrans-53.1-46.4177.1-73.1-176175.9-173.40112.6T246 S252 N253 V254T246-K250 HydrophobicContact CG2-CD 4.29Å; T246-K250 HydrophobicContact CG2-CG 4.44Å; T246-K250 WeakPolarHBondContact O-CB 3.33Å; T246-K250 WeakPolarHBondContact O-CG 3.5Å; T246-K250 PolarHBondContact O-N 3.01Å; K250-S252 PolarHBondContact O-N 2.91Å; K250-N253 PolarHBondContact O-N 2.84Å; K250-V254 WeakPolarHBondContact O-CB 3.25Å; K250-V254 VanDerWaalsContact O-CG2 3.23Å; K250-V254 WeakPolarHBondContact O-CG2 3.25Å; K250-V254 PolarHBondContact O-N 3.39Å
251R86.7Confident84.9Confident43 Ų4366.3 Ų66.316%0.16237%0.367CS..Hα-helixtrans-63.9-37.8176.2-71.8-179178.783.24.4112.4Q247 R248 S249 L255 F265 G268 E641Q247-R251 VanDerWaalsContact O-CG 3.32Å; Q247-R251 WeakPolarHBondContact O-CG 3.31Å; Q247-R251 PolarHBondContact O-NH1 2.72Å; R248-R251 PolarHBondContact O-N 3.28Å; S249-R251 VanDerWaalsContact C-N 3.33Å; S249-R251 PolarHBondContact O-N 2.9Å; R251-L255 WeakPolarHBondContact O-CG 3.34Å; R251-L255 PolarHBondContact O-N 2.85Å; R251-F265 HydrophobicContact CB-CD1 4.43Å; R251-F265 HydrophobicContact CB-CD2 3.83Å; R251-F265 HydrophobicContact CB-CE1 4.44Å; R251-F265 HydrophobicContact CB-CE2 3.84Å; R251-F265 HydrophobicContact CB-CG 4.14Å; R251-F265 HydrophobicContact CB-CZ 4.16Å; R251-F265 HydrophobicContact CG-CD1 3.85Å; R251-F265 HydrophobicContact CG-CD2 4.14Å; R251-F265 HydrophobicContact CG-CE1 3.74Å; R251-F265 HydrophobicContact CG-CE2 4.04Å; R251-F265 HydrophobicContact CG-CG 4.05Å; R251-F265 HydrophobicContact CG-CZ 3.85Å; R251-F265 WeakPolarHBondContact O-CE2 3.21Å; R251-G268 PolarHBondContact NE-O 3.41Å; R251-G268 PolarHBondContact NH2-O 3.27Å; R251-E641 IonicContact CZ-OE2 3.86Å; R251-E641 IonicContact NH2-OE2 3.66Å; R251-E641 PolarHBondContact NH2-OE2 2.81Å
252S85.4Confident85.1Confident55 Ų5567.1 Ų67.139%0.38537%0.371SS..Hα-helixtrans-67.5-38.8175.1-166.90000112.7R248 S249 K250 L255 G256R248-S252 PolarHBondContact O-N 3.19Å; S249-S252 CarbonylContact O-C 3.58Å; S249-S252 WeakPolarHBondContact O-CA 3.38Å; S249-S252 WeakPolarHBondContact O-CB 3.46Å; S249-S252 PolarHBondContact O-N 3.32Å; K250-S252 PolarHBondContact O-N 2.91Å; S252-L255 PolarHBondContact O-N 2.77Å; S252-G256 PolarHBondContact O-N 2.78Å; S252-G256 VanDerWaalsContact O-N 3.15Å
253N87.4Confident85.1Confident78 Ų7871.7 Ų71.742%0.41739%0.394SS..Hα-helixtrans-69.7-40.2179.1-65.37.8000110.7S249 K250 L255 G256 Q257S249-N253 PolarHBondContact O-N 3.39Å; S249-N253 PolarHBondContact O-OD1 2.78Å; K250-N253 PolarHBondContact O-N 2.84Å; N253-L255 VanDerWaalsContact C-N 3.29Å; N253-L255 PolarHBondContact O-N 2.99Å; N253-G256 WeakPolarHBondContact O-CA 3.18Å; N253-G256 PolarHBondContact O-N 2.7Å; N253-Q257 PolarHBondContact O-N 2.63Å
254V87.3Confident85.1Confident42 Ų4272.9 Ų72.926%0.25541%0.405SS..Hα-helixtrans-61.5-33.8174.2169.80000112.2K250 N260 I262 F265K250-V254 WeakPolarHBondContact O-CB 3.25Å; K250-V254 VanDerWaalsContact O-CG2 3.23Å; K250-V254 WeakPolarHBondContact O-CG2 3.25Å; K250-V254 PolarHBondContact O-N 3.39Å; V254-N260 WeakPolarHBondContact CG1-ND2 3.27Å; V254-N260 PolarHBondContact O-ND2 3.12Å; V254-I262 HydrophobicContact CG1-CD1 3.78Å; V254-F265 HydrophobicContact CB-CE2 4.25Å; V254-F265 HydrophobicContact CB-CZ 4.37Å; V254-F265 HydrophobicContact CG1-CE2 3.98Å; V254-F265 HydrophobicContact CG1-CZ 3.91Å
255L85.7Confident85.1Confident82 Ų8272.6 Ų72.643%0.42941%0.405SS..Hα-helixtrans-76.6-19.2171.5-68.6175.9000114R251 S252 N253 I262 F265R251-L255 WeakPolarHBondContact O-CG 3.34Å; R251-L255 PolarHBondContact O-N 2.85Å; S252-L255 PolarHBondContact O-N 2.77Å; N253-L255 VanDerWaalsContact C-N 3.29Å; N253-L255 PolarHBondContact O-N 2.99Å; L255-I262 HydrophobicContact CD2-CG2 4.14Å; L255-F265 HydrophobicContact CD1-CD2 3.95Å; L255-F265 HydrophobicContact CD2-CD2 4Å; L255-F265 HydrophobicContact CD2-CE2 4.17Å; L255-F265 HydrophobicContact CG-CD2 3.81Å; L255-F265 HydrophobicContact CG-CE2 3.97Å
256G81.5Confident85.3Confident65 Ų6571.8 Ų71.867%0.6740%0.402SS*.Hα-helixtrans-83.1-12.617600000114S252 N253 A258S252-G256 PolarHBondContact O-N 2.78Å; S252-G256 VanDerWaalsContact O-N 3.15Å; N253-G256 WeakPolarHBondContact O-CA 3.18Å; N253-G256 PolarHBondContact O-N 2.7Å; G256-A258 PolarHBondContact O-N 3.04Å
257Q87.8Confident85.2Confident119 Ų11969.6 Ų69.656%0.55639%0.389SS*.  trans-79.2112.3179.6-73.8172.4-15.200110.9N253 N259 N260N253-Q257 PolarHBondContact O-N 2.63Å; Q257-N259 PolarHBondContact O-N 3.07Å; Q257-N259 VanDerWaalsContact O-N 3.08Å; Q257-N260 HydrophobicContact CB-CB 4.4Å; Q257-N260 WeakPolarHBondContact O-CB 3.4Å
258A73.5Confident84.8Confident113 Ų11369.5 Ų69.593%0.93439%0.391SS*.SBendtrans-64.8-12.6-175.300000115.5G256G256-A258 PolarHBondContact O-N 3.04Å
259N78.3Confident84.9Confident168 Ų16864.8 Ų64.890%0.89838%0.375SS*.SBendtrans-11454.2-178-16944.9000111.3Q257Q257-N259 PolarHBondContact O-N 3.07Å; Q257-N259 VanDerWaalsContact O-N 3.08Å
260N82Confident85.1Confident57 Ų5766.3 Ų66.331%0.30538%0.384SS..  trans-140.6137.1-173.9-173.47000111.5V254 Q257 I262V254-N260 WeakPolarHBondContact CG1-ND2 3.27Å; V254-N260 PolarHBondContact O-ND2 3.12Å; Q257-N260 HydrophobicContact CB-CB 4.4Å; Q257-N260 WeakPolarHBondContact O-CB 3.4Å; N260-I262 VanDerWaalsContact C-N 3.28Å; N260-I262 PolarHBondContact O-N 3.12Å; N260-I262 WeakPolarHBondContact OD1-CG1 3.26Å; N260-I262 PolarHBondContact OD1-N 2.85Å
261D86.6Confident85.1Confident108 Ų10861.4 Ų61.458%0.57836%0.364SS*.SBendtrans-78.5-8.6178.4-76-52.6000114I263 T272D261-I263 PolarHBondContact O-N 3.35Å; D261-T272 WeakPolarHBondContact O-CA 3.42Å
262I88.8Confident85.3Confident39 Ų3960.9 Ų60.920%0.237%0.365CS..EExtended strand (participates in β ladder)trans-80.1111.5-179.6-57.6169.1000109.9V254 L255 N260 A264 F265 P270 V271 T272V254-I262 HydrophobicContact CG1-CD1 3.78Å; L255-I262 HydrophobicContact CD2-CG2 4.14Å; N260-I262 VanDerWaalsContact C-N 3.28Å; N260-I262 PolarHBondContact O-N 3.12Å; N260-I262 WeakPolarHBondContact OD1-CG1 3.26Å; N260-I262 PolarHBondContact OD1-N 2.85Å; I262-A264 WeakPolarHBondContact CG2-O 3.18Å; I262-F265 HydrophobicContact CG2-CD2 4.37Å; I262-F265 HydrophobicContact CG2-CE2 3.94Å; I262-F265 HydrophobicContact CG2-CZ 4.13Å; I262-P270 HydrophobicContact CB-CB 4.44Å; I262-P270 HydrophobicContact CD1-CB 3.73Å; I262-P270 HydrophobicContact CG1-CB 3.88Å; I262-P270 HydrophobicContact CG2-CB 3.68Å; I262-V271 CarbonylContact C-O 3.44Å; I262-V271 WeakPolarHBondContact CA-O 3.46Å; I262-T272 HydrophobicContact CG1-CG2 4.19Å
263I86.1Confident85.3Confident108 Ų10868.5 Ų68.555%0.55439%0.386SS*.EExtended strand (participates in β ladder)trans-84-38-177.7-50.2163.8000111.3D261 V271 R273D261-I263 PolarHBondContact O-N 3.35Å; I263-V271 PolarHBondContact N-O 2.96Å; I263-R273 HydrophobicContact CD1-CG 3.87Å; I263-R273 HydrophobicContact CG1-CG 4.46Å
264A86.6Confident85.3Confident33 Ų3369.9 Ų69.927%0.27340%0.401SS..EExtended strand (participates in β ladder)trans-155.8170.9-17300000111.8I262 V271I262-A264 WeakPolarHBondContact CG2-O 3.18Å; A264-V271 HydrophobicContact CB-CB 4.48Å; A264-V271 PolarHBondContact O-N 3.21Å
265F87.5Confident85.4Confident48 Ų4869.4 Ų69.421%0.21140%0.399CS..EExtended strand (participates in β ladder)trans-121.583.4171.3-82-84.2000111.7R251 V254 L255 I262 G268 I269 P270R251-F265 HydrophobicContact CB-CD1 4.43Å; R251-F265 HydrophobicContact CB-CD2 3.83Å; R251-F265 HydrophobicContact CB-CE1 4.44Å; R251-F265 HydrophobicContact CB-CE2 3.84Å; R251-F265 HydrophobicContact CB-CG 4.14Å; R251-F265 HydrophobicContact CB-CZ 4.16Å; R251-F265 HydrophobicContact CG-CD1 3.85Å; R251-F265 HydrophobicContact CG-CD2 4.14Å; R251-F265 HydrophobicContact CG-CE1 3.74Å; R251-F265 HydrophobicContact CG-CE2 4.04Å; R251-F265 HydrophobicContact CG-CG 4.05Å; R251-F265 HydrophobicContact CG-CZ 3.85Å; R251-F265 WeakPolarHBondContact O-CE2 3.21Å; V254-F265 HydrophobicContact CB-CE2 4.25Å; V254-F265 HydrophobicContact CB-CZ 4.37Å; V254-F265 HydrophobicContact CG1-CE2 3.98Å; V254-F265 HydrophobicContact CG1-CZ 3.91Å; L255-F265 HydrophobicContact CD1-CD2 3.95Å; L255-F265 HydrophobicContact CD2-CD2 4Å; L255-F265 HydrophobicContact CD2-CE2 4.17Å; L255-F265 HydrophobicContact CG-CD2 3.81Å; L255-F265 HydrophobicContact CG-CE2 3.97Å; I262-F265 HydrophobicContact CG2-CD2 4.37Å; I262-F265 HydrophobicContact CG2-CE2 3.94Å; I262-F265 HydrophobicContact CG2-CZ 4.13Å; F265-G268 PolarHBondContact O-N 3Å; F265-I269 CarbonylContact C-O 3.54Å; F265-I269 VanDerWaalsContact CA-O 3.25Å; F265-I269 WeakPolarHBondContact CA-O 3.44Å; F265-P270 HydrophobicContact CD1-CB 4.14Å; F265-P270 HydrophobicContact CE1-CB 3.65Å; F265-P270 HydrophobicContact CE1-CG 4.23Å; F265-P270 HydrophobicContact CZ-CB 4.11Å
266L86.8Confident85.7Confident21 Ų2172.7 Ų72.711%0.1141%0.405CS..EExtended strand (participates in β ladder)trans-75126.6177-65.4-174.4000110.6G268 I269 V271 Y277 V613 N615L266-G268 PolarHBondContact O-N 3.46Å; L266-I269 PolarHBondContact N-O 2.67Å; L266-I269 VanDerWaalsContact N-O 3.14Å; L266-I269 PolarHBondContact O-N 2.73Å; L266-V271 HydrophobicContact CB-CG2 3.87Å; L266-V271 HydrophobicContact CD1-CG2 3.94Å; L266-V271 HydrophobicContact CG-CG2 3.75Å; L266-Y277 HydrophobicContact CD1-CE1 4.47Å; L266-V613 HydrophobicContact CB-CB 4.01Å; L266-V613 HydrophobicContact CB-CG2 3.85Å; L266-V613 HydrophobicContact CD1-CG2 3.95Å; L266-N615 HydrophobicContact CD2-CB 3.64Å
267S86.1Confident86.3Confident3 Ų374.2 Ų74.22%0.02139%0.391CS..THydrogen-bonded Turntrans4226.7-167.9-550000115.3K522 V613 H614S267-K522 WeakPolarHBondContact O-CE 3.45Å; S267-K522 WeakPolarHBondContact O-CG 3.49Å; S267-V613 WeakPolarHBondContact OG-CA 3.38Å; S267-H614 PolarHBondContact N-O 3.07Å; S267-H614 PolarHBondContact OG-N 2.68Å; S267-H614 PolarHBondContact OG-ND1 3.21Å; S267-H614 PolarHBondContact OG-O 2.77Å
268G80.3Confident86.5Confident8 Ų869.2 Ų69.28%0.08237%0.369CS..THydrogen-bonded Turntrans86.7-2179.700000116.5R251 F265 L266R251-G268 PolarHBondContact NE-O 3.41Å; R251-G268 PolarHBondContact NH2-O 3.27Å; F265-G268 PolarHBondContact O-N 3Å; L266-G268 PolarHBondContact O-N 3.46Å
269I86.1Confident87.4Confident33 Ų3367.6 Ų67.617%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-87.3138.7165.9-70.7-159.9000109.3F265 L266 H611F265-I269 CarbonylContact C-O 3.54Å; F265-I269 VanDerWaalsContact CA-O 3.25Å; F265-I269 WeakPolarHBondContact CA-O 3.44Å; L266-I269 PolarHBondContact N-O 2.67Å; L266-I269 VanDerWaalsContact N-O 3.14Å; L266-I269 PolarHBondContact O-N 2.73Å; I269-H611 VanDerWaalsContact CD1-CE1 3.47Å; I269-H611 WeakPolarHBondContact CD1-CE1 3.27Å; I269-H611 VanDerWaalsContact CD1-ND1 3.26Å; I269-H611 WeakPolarHBondContact CD1-ND1 3.42Å
270P88.5Confident88Confident59 Ų5960 Ų6038%0.38330%0.304SS..EExtended strand (participates in β ladder)trans-67.3131.7174.627.8-34.5000111.5I262 F265I262-P270 HydrophobicContact CB-CB 4.44Å; I262-P270 HydrophobicContact CD1-CB 3.73Å; I262-P270 HydrophobicContact CG1-CB 3.88Å; I262-P270 HydrophobicContact CG2-CB 3.68Å; F265-P270 HydrophobicContact CD1-CB 4.14Å; F265-P270 HydrophobicContact CE1-CB 3.65Å; F265-P270 HydrophobicContact CE1-CG 4.23Å; F265-P270 HydrophobicContact CZ-CB 4.11Å
271V88.8Confident88.3Confident8 Ų865.9 Ų65.95%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-104122.3173.1174.30000109.2I262 I263 A264 L266 T275 Y277I262-V271 CarbonylContact C-O 3.44Å; I262-V271 WeakPolarHBondContact CA-O 3.46Å; I263-V271 PolarHBondContact N-O 2.96Å; A264-V271 HydrophobicContact CB-CB 4.48Å; A264-V271 PolarHBondContact O-N 3.21Å; L266-V271 HydrophobicContact CB-CG2 3.87Å; L266-V271 HydrophobicContact CD1-CG2 3.94Å; L266-V271 HydrophobicContact CG-CG2 3.75Å; V271-T275 HydrophobicContact CG1-CG2 4.36Å; V271-Y277 HydrophobicContact CG1-CE2 4.47Å; V271-Y277 WeakPolarHBondContact CG1-OH 3.44Å
272T89.9Confident88.6Confident32 Ų3263.9 Ų63.920%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-108.6169.5178.562.30000111.6D261 I262 S274 T275D261-T272 WeakPolarHBondContact O-CA 3.42Å; I262-T272 HydrophobicContact CG1-CG2 4.19Å; T272-S274 PolarHBondContact O-N 3.11Å; T272-S274 VanDerWaalsContact O-N 3.17Å; T272-S274 PolarHBondContact OG1-N 3.01Å; T272-S274 PolarHBondContact OG1-OG 2.83Å; T272-T275 PolarHBondContact N-OG1 2.79Å; T272-T275 WeakPolarHBondContact O-CB 3.41Å; T272-T275 PolarHBondContact O-N 3.03Å; T272-T275 VanDerWaalsContact O-N 3.13Å; T272-T275 PolarHBondContact O-OG1 3.4Å; T272-T275 PolarHBondContact OG1-N 3.5Å; T272-T275 PolarHBondContact OG1-OG1 2.77Å
273R86.8Confident88.7Confident215 Ų21566.6 Ų66.681%0.81134%0.338SS*.THydrogen-bonded Turntrans-59-21.3168.3-65.7179.3-179171.63.1113.9I263I263-R273 HydrophobicContact CD1-CG 3.87Å; I263-R273 HydrophobicContact CG1-CG 4.46Å
274S86.4Confident89.1Confident106 Ų10666.4 Ų66.474%0.74134%0.342SS*.THydrogen-bonded Turntrans-952.1178.552.30000114.4T272 R276T272-S274 PolarHBondContact O-N 3.11Å; T272-S274 VanDerWaalsContact O-N 3.17Å; T272-S274 PolarHBondContact OG1-N 3.01Å; T272-S274 PolarHBondContact OG1-OG 2.83Å; S274-R276 PolarHBondContact O-N 3.39Å
275T89.9Confident89.4Confident33 Ų3366.1 Ų66.120%0.20234%0.335CS..  trans-69.4116.4-177.8-64.80000111.3V271 T272 Y277 L632V271-T275 HydrophobicContact CG1-CG2 4.36Å; T272-T275 PolarHBondContact N-OG1 2.79Å; T272-T275 WeakPolarHBondContact O-CB 3.41Å; T272-T275 PolarHBondContact O-N 3.03Å; T272-T275 VanDerWaalsContact O-N 3.13Å; T272-T275 PolarHBondContact O-OG1 3.4Å; T272-T275 PolarHBondContact OG1-N 3.5Å; T272-T275 PolarHBondContact OG1-OG1 2.77Å; T275-Y277 HydrophobicContact CG2-CE2 4.17Å; T275-Y277 WeakPolarHBondContact O-CD2 3.42Å; T275-Y277 PolarHBondContact O-N 3.04Å; T275-Y277 VanDerWaalsContact O-N 3.16Å; T275-L632 HydrophobicContact CG2-CD2 4.09Å
276R92.4Very high89.7Confident150 Ų15065.2 Ų65.257%0.56633%0.331SS*.  trans-81.195.4-179.4-170.1-170.7166.4178.6-5.2111.5S274 E285 W633S274-R276 PolarHBondContact O-N 3.39Å; R276-E285 IonicContact CZ-OE1 2.61Å; R276-E285 IonicContact NH2-OE1 2.89Å; R276-E285 PolarHBondContact NH2-OE1 3.3Å; R276-W633 PolarHBondContact O-N 2.86Å
277Y92.6Very high90.1Very high97 Ų9769 Ų6938%0.3835%0.349SS..BIsolated β-bridgetrans-61.4155.4162.4-68.9-90.9000111.5L266 V271 T275 L632L266-Y277 HydrophobicContact CD1-CE1 4.47Å; V271-Y277 HydrophobicContact CG1-CE2 4.47Å; V271-Y277 WeakPolarHBondContact CG1-OH 3.44Å; T275-Y277 HydrophobicContact CG2-CE2 4.17Å; T275-Y277 WeakPolarHBondContact O-CD2 3.42Å; T275-Y277 PolarHBondContact O-N 3.04Å; T275-Y277 VanDerWaalsContact O-N 3.16Å; Y277-L632 HydrophobicContact CD1-CB 4.43Å
278L93Very high90.5Very high15 Ų1570.8 Ų70.88%0.07936%0.357CS..  trans-79.8121.7170.9-169.674.8000109.2L280 E285 M288 Y289 A631 W633L278-L280 HydrophobicContact CD2-CD2 3.76Å; L278-L280 HydrophobicContact CD2-CG 4.16Å; L278-L280 HydrophobicContact CG-CD2 4.24Å; L278-L280 HydrophobicContact CG-CG 4.38Å; L278-L280 PolarHBondContact O-N 3.2Å; L278-L280 VanDerWaalsContact O-N 3.08Å; L278-E285 HydrophobicContact CD1-CB 4.03Å; L278-E285 HydrophobicContact CD1-CG 4.23Å; L278-E285 VanDerWaalsContact CD1-OE2 3.3Å; L278-E285 WeakPolarHBondContact CD1-OE2 3.46Å; L278-E285 HydrophobicContact CG-CB 4.33Å; L278-M288 HydrophobicContact CD1-CE 3.68Å; L278-M288 HydrophobicContact CD2-CE 4.24Å; L278-Y289 HydrophobicContact CD2-CD2 3.31Å; L278-Y289 HydrophobicContact CD2-CE2 3.97Å; L278-Y289 HydrophobicContact CD2-CG 3.94Å; L278-A631 HydrophobicContact CB-CB 3.9Å; L278-A631 HydrophobicContact CD2-CB 3.86Å; L278-A631 PolarHBondContact N-O 3.26Å; L278-W633 HydrophobicContact CD1-CH2 4.41Å; L278-W633 HydrophobicContact CD1-CZ2 3.46Å; L278-W633 VanDerWaalsContact CD1-CZ2 3.46Å
279D91.8Very high91.2Very high78 Ų7870.4 Ų70.442%0.41735%0.353SS..  trans-84.385.6-179-178.422.1000110.9K281 N282 E285D279-K281 PolarHBondContact O-N 3.1Å; D279-K281 VanDerWaalsContact O-N 3.1Å; D279-K281 VanDerWaalsContact OD1-CB 3.27Å; D279-K281 WeakPolarHBondContact OD1-CB 3.24Å; D279-K281 PolarHBondContact OD1-N 3Å; D279-N282 HydrophobicContact CB-CB 4.37Å; D279-N282 VanDerWaalsContact O-CB 3.25Å; D279-N282 WeakPolarHBondContact O-CB 3.38Å; D279-N282 PolarHBondContact O-N 3.13Å; D279-E285 PolarHBondContact N-OE2 3.18Å
280L91.1Very high91.7Very high10 Ų1072.7 Ų72.75%0.05236%0.362CS..THydrogen-bonded Turntrans-701.5176.5-69.1176.9000114.3L278 M286 Y289 V664 F668L278-L280 HydrophobicContact CD2-CD2 3.76Å; L278-L280 HydrophobicContact CD2-CG 4.16Å; L278-L280 HydrophobicContact CG-CD2 4.24Å; L278-L280 HydrophobicContact CG-CG 4.38Å; L278-L280 PolarHBondContact O-N 3.2Å; L278-L280 VanDerWaalsContact O-N 3.08Å; L280-M286 HydrophobicContact CB-CE 3.94Å; L280-M286 HydrophobicContact CD2-CB 4.44Å; L280-M286 HydrophobicContact CD2-CE 4.23Å; L280-M286 HydrophobicContact CD2-SD 4.49Å; L280-M286 VanDerWaalsContact O-CE 3.32Å; L280-M286 WeakPolarHBondContact O-CE 3.35Å; L280-Y289 HydrophobicContact CD2-CD1 4.29Å; L280-Y289 HydrophobicContact CD2-CG 3.95Å; L280-V664 HydrophobicContact CD1-CG1 3.41Å; L280-V664 VanDerWaalsContact CD1-CG1 3.41Å; L280-F668 HydrophobicContact CB-CD1 4.28Å; L280-F668 HydrophobicContact CB-CD2 4.26Å; L280-F668 HydrophobicContact CB-CE1 3.89Å; L280-F668 HydrophobicContact CB-CE2 3.87Å; L280-F668 HydrophobicContact CB-CG 4.46Å; L280-F668 HydrophobicContact CB-CZ 3.68Å; L280-F668 HydrophobicContact CD1-CD2 4.29Å; L280-F668 HydrophobicContact CD1-CE2 3.92Å; L280-F668 HydrophobicContact CD1-CZ 4.47Å
281K89.3Confident92Very high179 Ų17971.8 Ų71.878%0.77835%0.352SS*.THydrogen-bonded Turntrans-82.5-23.2164.5-55.1176.5-178.2176.20111.7D279 F668D279-K281 PolarHBondContact O-N 3.1Å; D279-K281 VanDerWaalsContact O-N 3.1Å; D279-K281 VanDerWaalsContact OD1-CB 3.27Å; D279-K281 WeakPolarHBondContact OD1-CB 3.24Å; D279-K281 PolarHBondContact OD1-N 3Å; K281-F668 HydrophobicContact CG-CE1 4.16Å
282N93Very high92.4Very high67 Ų6771.4 Ų71.436%0.35835%0.35SS..SBendtrans-75.7123.8172.7-174.9-27.3000109.9D279 V284 E285 M286D279-N282 HydrophobicContact CB-CB 4.37Å; D279-N282 VanDerWaalsContact O-CB 3.25Å; D279-N282 WeakPolarHBondContact O-CB 3.38Å; D279-N282 PolarHBondContact O-N 3.13Å; N282-V284 PolarHBondContact O-N 3.42Å; N282-V284 WeakPolarHBondContact OD1-CB 3.5Å; N282-V284 PolarHBondContact OD1-N 3.45Å; N282-E285 PolarHBondContact O-N 3.19Å; N282-M286 VanDerWaalsContact O-CB 3.25Å; N282-M286 WeakPolarHBondContact O-CB 3.43Å; N282-M286 PolarHBondContact O-N 2.82Å
283S90.9Very high92.7Very high95 Ų9570.4 Ų70.466%0.66434%0.344SS*.Hα-helixtrans-59.7-27.8-178.7550000113.7H287S283-H287 WeakPolarHBondContact O-CB 3.5Å; S283-H287 PolarHBondContact O-N 2.86Å
284V93.7Very high93.1Very high104 Ų10461.3 Ų61.363%0.6331%0.31SS*.Hα-helixtrans-75.6-48.9179.4-176.20000111.3N282 M286 H287 M288N282-V284 PolarHBondContact O-N 3.42Å; N282-V284 WeakPolarHBondContact OD1-CB 3.5Å; N282-V284 PolarHBondContact OD1-N 3.45Å; V284-M286 VanDerWaalsContact C-N 3.35Å; V284-H287 PolarHBondContact O-N 2.93Å; V284-M288 WeakPolarHBondContact O-CB 3.41Å; V284-M288 PolarHBondContact O-N 3.33Å
285E92.9Very high93.7Very high28 Ų2856.3 Ų56.313%0.13128%0.275CS..Hα-helixtrans-68.8-35176.9-66.9-162.1166.900111R276 L278 D279 N282 Y289R276-E285 IonicContact CZ-OE1 2.61Å; R276-E285 IonicContact NH2-OE1 2.89Å; R276-E285 PolarHBondContact NH2-OE1 3.3Å; L278-E285 HydrophobicContact CD1-CB 4.03Å; L278-E285 HydrophobicContact CD1-CG 4.23Å; L278-E285 VanDerWaalsContact CD1-OE2 3.3Å; L278-E285 WeakPolarHBondContact CD1-OE2 3.46Å; L278-E285 HydrophobicContact CG-CB 4.33Å; D279-E285 PolarHBondContact N-OE2 3.18Å; N282-E285 PolarHBondContact O-N 3.19Å; E285-Y289 WeakPolarHBondContact O-CB 3.44Å; E285-Y289 PolarHBondContact O-N 3.06Å
286M93.9Very high94Very high28 Ų2854.8 Ų54.814%0.13827%0.266CS..Hα-helixtrans-62.5-45.3170.417256.975.100113L280 N282 V284 Y289 K290 L665 F668L280-M286 HydrophobicContact CB-CE 3.94Å; L280-M286 HydrophobicContact CD2-CB 4.44Å; L280-M286 HydrophobicContact CD2-CE 4.23Å; L280-M286 HydrophobicContact CD2-SD 4.49Å; L280-M286 VanDerWaalsContact O-CE 3.32Å; L280-M286 WeakPolarHBondContact O-CE 3.35Å; N282-M286 VanDerWaalsContact O-CB 3.25Å; N282-M286 WeakPolarHBondContact O-CB 3.43Å; N282-M286 PolarHBondContact O-N 2.82Å; V284-M286 VanDerWaalsContact C-N 3.35Å; M286-Y289 PolarHBondContact O-N 2.85Å; M286-K290 WeakPolarHBondContact O-CG 3.25Å; M286-K290 PolarHBondContact O-N 2.81Å; M286-K290 HydrophobicContact SD-CD 4.03Å; M286-K290 VanDerWaalsContact SD-CE 3.55Å; M286-K290 HydrophobicContact SD-CG 4.01Å; M286-L665 HydrophobicContact CE-CD2 3.93Å; M286-L665 HydrophobicContact SD-CD2 3.74Å; M286-F668 HydrophobicContact CE-CB 3.89Å; M286-F668 HydrophobicContact CE-CD1 4.48Å; M286-F668 HydrophobicContact CE-CG 4.12Å
287H93.8Very high94.1Very high102 Ų10247.8 Ų47.847%0.47224%0.24SC..Hα-helixtrans-62-48.1176.3-179.1-87.8000111S283 V284 Y289 K290 E291S283-H287 WeakPolarHBondContact O-CB 3.5Å; S283-H287 PolarHBondContact O-N 2.86Å; V284-H287 PolarHBondContact O-N 2.93Å; H287-Y289 VanDerWaalsContact C-N 3.33Å; H287-Y289 PolarHBondContact O-N 3Å; H287-K290 PolarHBondContact O-N 2.86Å; H287-K290 VanDerWaalsContact O-N 3.15Å; H287-E291 IonicContact CE1-OE1 3.87Å; H287-E291 IonicContact CE1-OE2 3.3Å; H287-E291 PolarHBondContact CE1-OE2 3.44Å; H287-E291 VanDerWaalsContact CE1-OE2 3.3Å; H287-E291 IonicContact ND1-OE2 3.68Å; H287-E291 WeakPolarHBondContact O-CG 3.34Å; H287-E291 PolarHBondContact O-N 3.38Å
288M95.1Very high94.3Very high39 Ų3943.2 Ų43.219%0.19222%0.221CC..Hα-helixtrans-55.9-46.2176.5-179.7-77.6-6000111.5L278 V284 K290 E291 V292 I610 W633L278-M288 HydrophobicContact CD1-CE 3.68Å; L278-M288 HydrophobicContact CD2-CE 4.24Å; V284-M288 WeakPolarHBondContact O-CB 3.41Å; V284-M288 PolarHBondContact O-N 3.33Å; M288-K290 VanDerWaalsContact C-N 3.35Å; M288-K290 PolarHBondContact O-N 3.23Å; M288-E291 PolarHBondContact O-N 3.42Å; M288-E291 VanDerWaalsContact O-N 3.12Å; M288-V292 WeakPolarHBondContact O-CG2 3.37Å; M288-V292 PolarHBondContact O-N 2.62Å; M288-V292 HydrophobicContact SD-CG2 3.79Å; M288-I610 HydrophobicContact CE-CD1 3.82Å; M288-I610 HydrophobicContact SD-CD1 3.63Å; M288-W633 HydrophobicContact CE-CH2 3.8Å; M288-W633 HydrophobicContact CE-CZ2 3.86Å
289Y96.1Very high94.5Very high0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-65.2-35.9178-161.9-97.9000113L278 L280 E285 M286 H287 E291 V292 C293 I610 A631 L661 V664 L665L278-Y289 HydrophobicContact CD2-CD2 3.31Å; L278-Y289 HydrophobicContact CD2-CE2 3.97Å; L278-Y289 HydrophobicContact CD2-CG 3.94Å; L280-Y289 HydrophobicContact CD2-CD1 4.29Å; L280-Y289 HydrophobicContact CD2-CG 3.95Å; E285-Y289 WeakPolarHBondContact O-CB 3.44Å; E285-Y289 PolarHBondContact O-N 3.06Å; M286-Y289 PolarHBondContact O-N 2.85Å; H287-Y289 VanDerWaalsContact C-N 3.33Å; H287-Y289 PolarHBondContact O-N 3Å; Y289-E291 VanDerWaalsContact C-N 3.33Å; Y289-E291 PolarHBondContact O-N 3.17Å; Y289-V292 WeakPolarHBondContact O-CB 3.29Å; Y289-V292 PolarHBondContact O-N 2.99Å; Y289-C293 PolarHBondContact O-N 2.89Å; Y289-C293 PolarHBondContact O-SG 3.22Å; Y289-I610 HydrophobicContact CD2-CG2 4.42Å; Y289-I610 HydrophobicContact CE2-CG2 3.97Å; Y289-A631 HydrophobicContact CE2-CB 3.78Å; Y289-L661 HydrophobicContact CE1-CD2 4.44Å; Y289-L661 HydrophobicContact CE2-CD2 4.1Å; Y289-L661 WeakPolarHBondContact OH-CD2 3.22Å; Y289-L661 PolarHBondContact OH-O 3.08Å; Y289-V664 HydrophobicContact CE1-CB 4Å; Y289-V664 HydrophobicContact CE1-CG1 3.95Å; Y289-V664 VanDerWaalsContact OH-CB 3.29Å; Y289-V664 WeakPolarHBondContact OH-CB 3.49Å; Y289-V664 WeakPolarHBondContact OH-CG2 3.21Å; Y289-L665 HydrophobicContact CD1-CD1 4.39Å; Y289-L665 HydrophobicContact CD1-CD2 3.89Å; Y289-L665 HydrophobicContact CD1-CG 4.02Å; Y289-L665 HydrophobicContact CE1-CD2 4.32Å; Y289-L665 HydrophobicContact CE1-CG 4.01Å
290K94.9Very high94.5Very high82 Ų8238.8 Ų38.836%0.35720%0.198SC..Hα-helixtrans-65.3-34.2172.2-76.4-175.2172-172.50112.5M286 H287 M288 C293 Y294 L665M286-K290 WeakPolarHBondContact O-CG 3.25Å; M286-K290 PolarHBondContact O-N 2.81Å; M286-K290 HydrophobicContact SD-CD 4.03Å; M286-K290 VanDerWaalsContact SD-CE 3.55Å; M286-K290 HydrophobicContact SD-CG 4.01Å; H287-K290 PolarHBondContact O-N 2.86Å; H287-K290 VanDerWaalsContact O-N 3.15Å; M288-K290 VanDerWaalsContact C-N 3.35Å; M288-K290 PolarHBondContact O-N 3.23Å; K290-C293 PolarHBondContact O-N 2.85Å; K290-Y294 WeakPolarHBondContact O-CB 3.19Å; K290-Y294 PolarHBondContact O-N 3.28Å; K290-L665 HydrophobicContact CG-CD1 4.46Å
291E95.7Very high94.6Very high39 Ų3938.5 Ų38.518%0.18220%0.197CC..Hα-helixtrans-67.8-41.1171-58.6-148.8101.300111.8H287 M288 Y289 C293 Y294 Y295 K389H287-E291 IonicContact CE1-OE1 3.87Å; H287-E291 IonicContact CE1-OE2 3.3Å; H287-E291 PolarHBondContact CE1-OE2 3.44Å; H287-E291 VanDerWaalsContact CE1-OE2 3.3Å; H287-E291 IonicContact ND1-OE2 3.68Å; H287-E291 WeakPolarHBondContact O-CG 3.34Å; H287-E291 PolarHBondContact O-N 3.38Å; M288-E291 PolarHBondContact O-N 3.42Å; M288-E291 VanDerWaalsContact O-N 3.12Å; Y289-E291 VanDerWaalsContact C-N 3.33Å; Y289-E291 PolarHBondContact O-N 3.17Å; E291-C293 VanDerWaalsContact C-N 3.3Å; E291-C293 PolarHBondContact O-N 2.94Å; E291-Y294 PolarHBondContact O-N 3.02Å; E291-Y294 VanDerWaalsContact O-N 3.13Å; E291-Y295 HydrophobicContact CB-CD2 4.23Å; E291-Y295 HydrophobicContact CB-CE2 4.15Å; E291-Y295 WeakPolarHBondContact O-CD2 3.48Å; E291-Y295 PolarHBondContact O-N 2.84Å; E291-K389 WeakPolarHBondContact OE1-CE 3.4Å; E291-K389 IonicContact OE1-NZ 2.69Å; E291-K389 PolarHBondContact OE1-NZ 3.06Å
292V97.2Very high94.8Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-59.1-39.1173.2172.90000111.9M288 Y289 Y494 Y496 T516 V518 I610 L661M288-V292 WeakPolarHBondContact O-CG2 3.37Å; M288-V292 PolarHBondContact O-N 2.62Å; M288-V292 HydrophobicContact SD-CG2 3.79Å; Y289-V292 WeakPolarHBondContact O-CB 3.29Å; Y289-V292 PolarHBondContact O-N 2.99Å; V292-Y494 HydrophobicContact CG2-CD1 3.98Å; V292-Y494 HydrophobicContact CG2-CE1 3.72Å; V292-Y496 HydrophobicContact CG1-CE1 4.03Å; V292-Y496 WeakPolarHBondContact O-CE1 3.49Å; V292-Y496 PolarHBondContact O-OH 3.23Å; V292-T516 HydrophobicContact CG2-CG2 3.9Å; V292-V518 HydrophobicContact CG1-CG2 3.37Å; V292-I610 HydrophobicContact CG2-CD1 4.01Å; V292-L661 HydrophobicContact CG1-CD2 3.98Å
293C96.1Very high94.7Very high12 Ų1227.9 Ų27.98%0.08115%0.149CC..Hα-helixtrans-67.8-42.5173.5-60.80000111.7Y289 K290 E291 M296Y289-C293 PolarHBondContact O-N 2.89Å; Y289-C293 PolarHBondContact O-SG 3.22Å; K290-C293 PolarHBondContact O-N 2.85Å; E291-C293 VanDerWaalsContact C-N 3.3Å; E291-C293 PolarHBondContact O-N 2.94Å; C293-M296 PolarHBondContact O-N 2.92Å
294Y96.2Very high94.7Very high23 Ų2323.6 Ų23.69%0.0912%0.12CC..Hα-helixtrans-64.2-48.2-179.2-175.7-102.8000113.1K290 E291 M296 L297 F298 L362 D386 K389K290-Y294 WeakPolarHBondContact O-CB 3.19Å; K290-Y294 PolarHBondContact O-N 3.28Å; E291-Y294 PolarHBondContact O-N 3.02Å; E291-Y294 VanDerWaalsContact O-N 3.13Å; Y294-M296 PolarHBondContact O-N 3.34Å; Y294-L297 HydrophobicContact CD2-CD1 3.8Å; Y294-L297 HydrophobicContact CE2-CD1 4.06Å; Y294-L297 HydrophobicContact CG-CD1 4.47Å; Y294-L297 WeakPolarHBondContact O-CB 3.44Å; Y294-L297 WeakPolarHBondContact O-CD1 3.36Å; Y294-L297 WeakPolarHBondContact O-CG 3.26Å; Y294-L297 PolarHBondContact O-N 3.49Å; Y294-L297 VanDerWaalsContact O-N 3.08Å; Y294-F298 HydrophobicContact CD1-CE2 4.31Å; Y294-F298 AromaticContact CE1-CE2 3.68Å; Y294-F298 HydrophobicContact CE1-CE2 3.68Å; Y294-F298 HydrophobicContact CE1-CZ 4.35Å; Y294-F298 AromaticContact CZ-CE2 3.99Å; Y294-L362 HydrophobicContact CE2-CD1 3.88Å; Y294-L362 HydrophobicContact CE2-CD2 4.11Å; Y294-D386 WeakPolarHBondContact CE1-OD2 3.35Å; Y294-D386 PolarHBondContact OH-OD2 3.13Å; Y294-K389 HydrophobicContact CD1-CG 4.31Å; Y294-K389 HydrophobicContact CE1-CG 3.85Å
295Y97.8Very high94.3Very high2 Ų223.5 Ų23.51%0.00811%0.109CC..Hα-helixtrans-71.5-16.6-177.9-72.3-66.3000113.6E291 L297 F298 A299 V393 V466 V468 Y494 Y496E291-Y295 HydrophobicContact CB-CD2 4.23Å; E291-Y295 HydrophobicContact CB-CE2 4.15Å; E291-Y295 WeakPolarHBondContact O-CD2 3.48Å; E291-Y295 PolarHBondContact O-N 2.84Å; Y295-L297 PolarHBondContact O-N 2.87Å; Y295-F298 HydrophobicContact CD1-CD2 4.25Å; Y295-F298 HydrophobicContact CD1-CE2 4.41Å; Y295-F298 PolarHBondContact O-N 3.32Å; Y295-A299 PolarHBondContact O-N 3.11Å; Y295-V393 HydrophobicContact CE1-CG2 4.16Å; Y295-V466 HydrophobicContact CD1-CG1 3.98Å; Y295-V466 HydrophobicContact CE1-CB 4.38Å; Y295-V466 HydrophobicContact CE1-CG1 4Å; Y295-V466 HydrophobicContact CE1-CG2 4.27Å; Y295-V466 HydrophobicContact CG-CG1 4.39Å; Y295-V468 HydrophobicContact CD1-CG1 4.25Å; Y295-V468 HydrophobicContact CG-CG1 4.43Å; Y295-Y494 AromaticContact CD2-CD2 3.59Å; Y295-Y494 HydrophobicContact CD2-CD2 3.59Å; Y295-Y494 HydrophobicContact CD2-CE1 4.38Å; Y295-Y494 AromaticContact CD2-CE2 3.14Å; Y295-Y494 HydrophobicContact CD2-CE2 3.14Å; Y295-Y494 HydrophobicContact CD2-CG 4.36Å; Y295-Y494 AromaticContact CD2-CZ 3.6Å; Y295-Y494 HydrophobicContact CE2-CD2 4.39Å; Y295-Y494 AromaticContact CE2-CE2 3.61Å; Y295-Y494 HydrophobicContact CE2-CE2 3.61Å; Y295-Y494 AromaticContact CG-CD2 3.67Å; Y295-Y494 HydrophobicContact CG-CD2 3.67Å; Y295-Y494 AromaticContact CG-CE2 3.73Å; Y295-Y494 HydrophobicContact CG-CE2 3.73Å; Y295-Y494 HydrophobicContact CG-CG 4.39Å; Y295-Y496 VanDerWaalsContact C-OH 3.31Å; Y295-Y496 WeakPolarHBondContact CB-OH 3.23Å
296M96.3Very high93.8Very high0 Ų024.6 Ų24.60%012%0.118CC..Hα-helixtrans-67.4-22.6171.3-167.337.8169.500111.9C293 Y294 F298 A299 L300 Y496 P654 V657 M658 L661C293-M296 PolarHBondContact O-N 2.92Å; Y294-M296 PolarHBondContact O-N 3.34Å; M296-F298 VanDerWaalsContact C-N 3.33Å; M296-F298 PolarHBondContact O-N 3.17Å; M296-A299 PolarHBondContact O-N 3.23Å; M296-A299 HydrophobicContact SD-CB 3.78Å; M296-L300 HydrophobicContact CE-CD1 3.56Å; M296-L300 HydrophobicContact CG-CD1 3.7Å; M296-L300 WeakPolarHBondContact O-CD1 3.46Å; M296-L300 PolarHBondContact O-N 2.96Å; M296-L300 HydrophobicContact SD-CD1 3.59Å; M296-L300 VanDerWaalsContact SD-CD1 3.59Å; M296-Y496 HydrophobicContact CB-CD1 4.1Å; M296-Y496 HydrophobicContact CB-CE1 3.57Å; M296-Y496 HydrophobicContact CB-CE2 4.2Å; M296-Y496 HydrophobicContact CE-CD1 4.18Å; M296-Y496 HydrophobicContact CE-CG 3.98Å; M296-Y496 HydrophobicContact CG-CD1 3.9Å; M296-Y496 HydrophobicContact CG-CE1 3.91Å; M296-Y496 HydrophobicContact CG-CG 4.29Å; M296-Y496 PolarHBondContact N-OH 3.13Å; M296-Y496 HydrophobicContact SD-CD1 3.52Å; M296-Y496 VanDerWaalsContact SD-CD1 3.52Å; M296-Y496 HydrophobicContact SD-CD2 3.56Å; M296-Y496 VanDerWaalsContact SD-CD2 3.56Å; M296-Y496 HydrophobicContact SD-CE1 3.99Å; M296-Y496 HydrophobicContact SD-CE2 4.02Å; M296-Y496 HydrophobicContact SD-CG 3.3Å; M296-P654 HydrophobicContact CE-CB 3.89Å; M296-P654 WeakPolarHBondContact CE-O 3.31Å; M296-V657 HydrophobicContact CE-CB 3.68Å; M296-V657 HydrophobicContact CE-CG1 3.72Å; M296-V657 HydrophobicContact CE-CG2 4.49Å; M296-M658 HydrophobicContact CB-CE 3.71Å; M296-M658 HydrophobicContact CG-CB 4.41Å; M296-M658 HydrophobicContact CG-CE 3.87Å; M296-L661 HydrophobicContact CB-CD1 4.07Å; M296-L661 HydrophobicContact CG-CD1 4.01Å
297L94.9Very high93.4Very high4 Ų423.9 Ų23.92%0.02111%0.114CC..Hα-helixtrans-58.4-45.2172.2-60.9170.1000111.7Y294 Y295 L300 A301 H356 L362 M658Y294-L297 HydrophobicContact CD2-CD1 3.8Å; Y294-L297 HydrophobicContact CE2-CD1 4.06Å; Y294-L297 HydrophobicContact CG-CD1 4.47Å; Y294-L297 WeakPolarHBondContact O-CB 3.44Å; Y294-L297 WeakPolarHBondContact O-CD1 3.36Å; Y294-L297 WeakPolarHBondContact O-CG 3.26Å; Y294-L297 PolarHBondContact O-N 3.49Å; Y294-L297 VanDerWaalsContact O-N 3.08Å; Y295-L297 PolarHBondContact O-N 2.87Å; L297-L300 PolarHBondContact O-N 2.9Å; L297-A301 WeakPolarHBondContact O-CB 3.13Å; L297-A301 PolarHBondContact O-N 2.65Å; L297-H356 PolarHBondContact O-NE2 3.38Å; L297-L362 HydrophobicContact CD1-CD1 3.72Å; L297-M658 HydrophobicContact CD2-CE 3.64Å; L297-M658 HydrophobicContact CG-CE 4.03Å
298F96.6Very high92.9Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-67.3-46.6-179.5-69.4-104.8000110.6Y294 Y295 M296 L300 A301 A302 F357 V365 F382 A384 D386 V393 S395 V468Y294-F298 HydrophobicContact CD1-CE2 4.31Å; Y294-F298 AromaticContact CE1-CE2 3.68Å; Y294-F298 HydrophobicContact CE1-CE2 3.68Å; Y294-F298 HydrophobicContact CE1-CZ 4.35Å; Y294-F298 AromaticContact CZ-CE2 3.99Å; Y295-F298 HydrophobicContact CD1-CD2 4.25Å; Y295-F298 HydrophobicContact CD1-CE2 4.41Å; Y295-F298 PolarHBondContact O-N 3.32Å; M296-F298 VanDerWaalsContact C-N 3.33Å; M296-F298 PolarHBondContact O-N 3.17Å; F298-L300 VanDerWaalsContact C-N 3.31Å; F298-L300 PolarHBondContact O-N 3.37Å; F298-A301 WeakPolarHBondContact O-CB 3.46Å; F298-A301 PolarHBondContact O-N 3.24Å; F298-A302 PolarHBondContact O-N 3.17Å; F298-A302 VanDerWaalsContact O-N 3.1Å; F298-F357 HydrophobicContact CD1-CE1 4.02Å; F298-F357 AromaticContact CD1-CZ 3.58Å; F298-F357 HydrophobicContact CD1-CZ 3.58Å; F298-F357 HydrophobicContact CD2-CE1 4.06Å; F298-F357 HydrophobicContact CD2-CZ 4.33Å; F298-F357 AromaticContact CE1-CE1 3.94Å; F298-F357 HydrophobicContact CE1-CE1 3.94Å; F298-F357 AromaticContact CE1-CZ 3.78Å; F298-F357 HydrophobicContact CE1-CZ 3.78Å; F298-F357 AromaticContact CE2-CE1 3.97Å; F298-F357 HydrophobicContact CE2-CE1 3.97Å; F298-F357 HydrophobicContact CE2-CZ 4.49Å; F298-F357 HydrophobicContact CG-CE1 4.08Å; F298-F357 AromaticContact CG-CZ 3.88Å; F298-F357 HydrophobicContact CG-CZ 3.88Å; F298-F357 AromaticContact CZ-CE1 3.91Å; F298-F357 HydrophobicContact CZ-CE1 3.91Å; F298-F357 HydrophobicContact CZ-CZ 4.24Å; F298-V365 HydrophobicContact CE1-CG1 3.77Å; F298-V365 HydrophobicContact CZ-CG1 4.05Å; F298-V365 HydrophobicContact CZ-CG2 3.94Å; F298-F382 HydrophobicContact CB-CZ 4.41Å; F298-F382 HydrophobicContact CD1-CE2 4.24Å; F298-F382 HydrophobicContact CD1-CZ 4.2Å; F298-A384 HydrophobicContact CE1-CB 4.41Å; F298-D386 HydrophobicContact CZ-CB 4.41Å; F298-V393 HydrophobicContact CB-CG1 4.31Å; F298-V393 HydrophobicContact CD1-CB 3.98Å; F298-V393 HydrophobicContact CD1-CG1 3.69Å; F298-V393 HydrophobicContact CD1-CG2 4.28Å; F298-V393 HydrophobicContact CE1-CB 4Å; F298-V393 HydrophobicContact CE1-CG1 4.17Å; F298-V393 HydrophobicContact CE1-CG2 3.9Å; F298-V393 HydrophobicContact CG-CG1 4.05Å; F298-V393 HydrophobicContact CZ-CG2 4.22Å; F298-S395 VanDerWaalsContact C-OG 3.24Å; F298-S395 PolarHBondContact O-OG 3.03Å; F298-V468 HydrophobicContact CB-CG2 3.74Å
299A96.4Very high92.5Very high0 Ų019.7 Ų19.70%010%0.095CC..Hα-helixtrans-59.9-37175.500000112.8Y295 M296 Y303 V468 H470 Y496Y295-A299 PolarHBondContact O-N 3.11Å; M296-A299 PolarHBondContact O-N 3.23Å; M296-A299 HydrophobicContact SD-CB 3.78Å; A299-Y303 WeakPolarHBondContact O-CD2 3.42Å; A299-V468 HydrophobicContact CB-CG2 4.34Å; A299-H470 HydrophobicContact CB-CB 4.42Å; A299-Y496 HydrophobicContact CB-CD2 3.92Å; A299-Y496 HydrophobicContact CB-CE2 4.25Å
300L93.2Very high91.7Very high1 Ų124.5 Ų24.51%0.00512%0.119CC..Hα-helixtrans-67.8-38.7169.8-94.880.1000113M296 L297 F298 A302 Y303 P654 M658M296-L300 HydrophobicContact CE-CD1 3.56Å; M296-L300 HydrophobicContact CG-CD1 3.7Å; M296-L300 WeakPolarHBondContact O-CD1 3.46Å; M296-L300 PolarHBondContact O-N 2.96Å; M296-L300 HydrophobicContact SD-CD1 3.59Å; M296-L300 VanDerWaalsContact SD-CD1 3.59Å; L297-L300 PolarHBondContact O-N 2.9Å; F298-L300 VanDerWaalsContact C-N 3.31Å; F298-L300 PolarHBondContact O-N 3.37Å; L300-A302 VanDerWaalsContact C-N 3.27Å; L300-A302 PolarHBondContact O-N 3.22Å; L300-Y303 PolarHBondContact O-N 3.44Å; L300-P654 HydrophobicContact CD1-CB 3.98Å; L300-P654 HydrophobicContact CG-CB 4.17Å; L300-M658 HydrophobicContact CD1-CB 4.17Å; L300-M658 HydrophobicContact CD1-CE 4.36Å; L300-M658 HydrophobicContact CD2-CB 4.35Å
301A93.4Very high91Very high3 Ų324.4 Ų24.43%0.02512%0.116CC..Hα-helixtrans-64.4-32.9-177.600000111.9L297 F298 Y303 G304 I353 H356 F357 F382L297-A301 WeakPolarHBondContact O-CB 3.13Å; L297-A301 PolarHBondContact O-N 2.65Å; F298-A301 WeakPolarHBondContact O-CB 3.46Å; F298-A301 PolarHBondContact O-N 3.24Å; A301-Y303 PolarHBondContact O-N 2.68Å; A301-Y303 VanDerWaalsContact O-N 3.08Å; A301-G304 PolarHBondContact O-N 2.68Å; A301-I353 HydrophobicContact CB-CG2 4.29Å; A301-I353 VanDerWaalsContact O-CG1 3.3Å; A301-I353 WeakPolarHBondContact O-CG1 3.2Å; A301-H356 HydrophobicContact CB-CB 4.39Å; A301-F357 HydrophobicContact CB-CE2 4.05Å; A301-F357 HydrophobicContact CB-CZ 4.04Å; A301-F382 HydrophobicContact CB-CE1 4.15Å; A301-F382 HydrophobicContact CB-CZ 4.12Å
302A93.6Very high90.3Very high11 Ų1125.6 Ų25.69%0.09112%0.121CC..THydrogen-bonded Turntrans-57.8-25179.400000113.7F298 L300 G304 F382 R397F298-A302 PolarHBondContact O-N 3.17Å; F298-A302 VanDerWaalsContact O-N 3.1Å; L300-A302 VanDerWaalsContact C-N 3.27Å; L300-A302 PolarHBondContact O-N 3.22Å; A302-G304 PolarHBondContact O-N 2.72Å; A302-F382 HydrophobicContact CB-CD1 4.15Å; A302-F382 HydrophobicContact CB-CE1 3.93Å; A302-R397 HydrophobicContact CB-CB 4.33Å; A302-R397 WeakPolarHBondContact O-CG 3.4Å
303Y90.2Very high89.3Confident12 Ų1230.9 Ų30.95%0.04716%0.155CC..THydrogen-bonded Turntrans-73.5-2.1176-75.9-109.9000114.1A299 L300 A301 P306 M307 G398 L400 H470 P654A299-Y303 WeakPolarHBondContact O-CD2 3.42Å; L300-Y303 PolarHBondContact O-N 3.44Å; A301-Y303 PolarHBondContact O-N 2.68Å; A301-Y303 VanDerWaalsContact O-N 3.08Å; Y303-P306 WeakPolarHBondContact O-CD 3.25Å; Y303-M307 VanDerWaalsContact CB-CB 3.44Å; Y303-M307 HydrophobicContact CG-CB 4.42Å; Y303-M307 HydrophobicContact CG-CG 4.47Å; Y303-G398 VanDerWaalsContact OH-CA 3.27Å; Y303-G398 WeakPolarHBondContact OH-CA 3.35Å; Y303-L400 HydrophobicContact CD1-CD1 3.58Å; Y303-L400 HydrophobicContact CD1-CD2 3.83Å; Y303-L400 HydrophobicContact CD1-CG 3.49Å; Y303-L400 VanDerWaalsContact CD1-CG 3.49Å; Y303-L400 HydrophobicContact CE1-CD1 4.33Å; Y303-L400 HydrophobicContact CE1-CD2 4.2Å; Y303-L400 HydrophobicContact CE1-CG 3.79Å; Y303-L400 HydrophobicContact CG-CD1 4.14Å; Y303-L400 HydrophobicContact CG-CG 4.48Å; Y303-H470 HydrophobicContact CE2-CB 4.13Å; Y303-H470 AromaticContact CZ-ND1 3.82Å; Y303-H470 PolarHBondContact OH-ND1 3.14Å; Y303-P654 HydrophobicContact CE1-CG 4.28Å; Y303-P654 HydrophobicContact CE2-CG 4.2Å
304G89.8Confident88.3Confident5 Ų533.7 Ų33.75%0.05219%0.186CC..Hα-helixtrans64.6-14916900000115.3A301 A302 Y308A301-G304 PolarHBondContact O-N 2.68Å; A302-G304 PolarHBondContact O-N 2.72Å; G304-Y308 PolarHBondContact O-N 2.73Å
305W85.6Confident87.2Confident103 Ų10336 Ų3639%0.3921%0.205SC..Hα-helixtrans-66.4-34.4-171.572.3-93.9000115.5M307 Y308 L309 L320 C348 N349 A352W305-M307 PolarHBondContact O-N 3.26Å; W305-Y308 PolarHBondContact O-N 2.83Å; W305-L309 HydrophobicContact CE3-CD1 3.64Å; W305-L309 HydrophobicContact CE3-CG 4.25Å; W305-L309 HydrophobicContact CZ3-CD1 3.79Å; W305-L309 WeakPolarHBondContact O-CG 2.91Å; W305-L309 PolarHBondContact O-N 2.7Å; W305-L320 HydrophobicContact CB-CD1 4.05Å; W305-C348 HydrophobicContact CB-CB 4.17Å; W305-C348 HydrophobicContact CG-CB 3.98Å; W305-N349 VanDerWaalsContact CD1-OD1 3.26Å; W305-A352 VanDerWaalsContact CA-CB 3.47Å; W305-A352 HydrophobicContact CB-CB 3.82Å
306P84.1Confident86.3Confident51 Ų5136 Ų3633%0.33121%0.205SC..Hα-helixtrans-62.9-43.3179.4-23.235.2000112.3Y303 L309 M310Y303-P306 WeakPolarHBondContact O-CD 3.25Å; P306-L309 PolarHBondContact O-N 3.45Å; P306-M310 WeakPolarHBondContact O-CB 3.13Å; P306-M310 PolarHBondContact O-N 2.81Å
307M83.7Confident85.4Confident12 Ų1241.6 Ų41.66%0.05923%0.234CC..Hα-helixtrans-70.9-34.6178.3-172.470.1-104.400112Y303 W305 M310 R311 P654 H655Y303-M307 VanDerWaalsContact CB-CB 3.44Å; Y303-M307 HydrophobicContact CG-CB 4.42Å; Y303-M307 HydrophobicContact CG-CG 4.47Å; W305-M307 PolarHBondContact O-N 3.26Å; M307-M310 HydrophobicContact CE-CB 4.35Å; M307-M310 HydrophobicContact CE-CE 3.41Å; M307-M310 VanDerWaalsContact CE-CE 3.41Å; M307-M310 HydrophobicContact SD-CE 3.85Å; M307-R311 HydrophobicContact CE-CG 3.58Å; M307-R311 PolarHBondContact O-N 3.46Å; M307-P654 HydrophobicContact SD-CG 4.07Å; M307-H655 HydrophobicContact CE-CB 3.71Å
308Y85Confident84.6Confident13 Ų1345.5 Ų45.55%0.05126%0.261CS..Hα-helixtrans-62.8-47.5171.8-178.8-94.6000111.8G304 W305 R311 K312 R319 L320 A352 R355 D359G304-Y308 PolarHBondContact O-N 2.73Å; W305-Y308 PolarHBondContact O-N 2.83Å; Y308-R311 PolarHBondContact O-N 3.48Å; Y308-K312 PolarHBondContact O-N 3.28Å; Y308-R319 VanDerWaalsContact OH-CD 3.32Å; Y308-R319 WeakPolarHBondContact OH-CD 3.34Å; Y308-L320 HydrophobicContact CD1-CD1 3.93Å; Y308-L320 HydrophobicContact CD1-CD2 4.11Å; Y308-L320 HydrophobicContact CD1-CG 3.94Å; Y308-L320 HydrophobicContact CE1-CD1 4.39Å; Y308-L320 HydrophobicContact CE1-CD2 4.18Å; Y308-L320 HydrophobicContact CE1-CG 3.93Å; Y308-A352 HydrophobicContact CG-CB 4.48Å; Y308-R355 HydrophobicContact CE1-CG 4.5Å; Y308-R355 HydrophobicContact CE2-CB 4.15Å; Y308-R355 HydrophobicContact CE2-CG 4.06Å; Y308-R355 WeakPolarHBondContact OH-CG 3.29Å; Y308-D359 PolarHBondContact OH-OD2 3.5Å
309L85.4Confident83.6Confident40 Ų4049.9 Ų49.921%0.20928%0.277CS..Hα-helixtrans-61.9-44.3176.5-70.8-171.6000112.2W305 P306 R311 K312 P313 L317 L320W305-L309 HydrophobicContact CE3-CD1 3.64Å; W305-L309 HydrophobicContact CE3-CG 4.25Å; W305-L309 HydrophobicContact CZ3-CD1 3.79Å; W305-L309 WeakPolarHBondContact O-CG 2.91Å; W305-L309 PolarHBondContact O-N 2.7Å; P306-L309 PolarHBondContact O-N 3.45Å; L309-R311 PolarHBondContact O-N 2.86Å; L309-K312 CarbonylContact O-C 2.91Å; L309-K312 VanDerWaalsContact O-C 3.29Å; L309-K312 PolarHBondContact O-N 3.48Å; L309-K312 VanDerWaalsContact O-N 3.14Å; L309-P313 WeakPolarHBondContact O-CA 3.36Å; L309-P313 VanDerWaalsContact O-N 3.16Å; L309-L317 HydrophobicContact CD2-CB 4.09Å; L309-L317 VanDerWaalsContact CD2-N 3.26Å; L309-L320 HydrophobicContact CD2-CD1 3.95Å; L309-L320 HydrophobicContact CG-CD1 4.29Å
310M80.5Confident82.8Confident101 Ų10150.3 Ų50.350%0.49828%0.28SS..Hα-helixtrans-62.8-27.8179.9-169.1168.569.500112.9P306 M307 M653P306-M310 WeakPolarHBondContact O-CB 3.13Å; P306-M310 PolarHBondContact O-N 2.81Å; M307-M310 HydrophobicContact CE-CB 4.35Å; M307-M310 HydrophobicContact CE-CE 3.41Å; M307-M310 VanDerWaalsContact CE-CE 3.41Å; M307-M310 HydrophobicContact SD-CE 3.85Å; M310-M653 HydrophobicContact CE-CE 4.14Å
311R80.4Confident81.8Confident80 Ų8052.7 Ų52.730%0.30230%0.299SS..Hα-helixtrans-83.5-24.8173.7-69.7-169.371.4-169-0.2114.7M307 Y308 L309 R360 E678M307-R311 HydrophobicContact CE-CG 3.58Å; M307-R311 PolarHBondContact O-N 3.46Å; Y308-R311 PolarHBondContact O-N 3.48Å; L309-R311 PolarHBondContact O-N 2.86Å; R311-R360 VanDerWaalsContact NH1-CZ 3.29Å; R311-R360 VanDerWaalsContact NH1-NH1 3.11Å; R311-E678 IonicContact NH2-OE1 3.84Å
312K80.2Confident80.6Confident65 Ų6557.1 Ų57.128%0.28333%0.33SS..SBendtrans-131.959.7-178.1-67.7-67.6-172.6178.50111.4Y308 L309 G314 C315 G316 E675Y308-K312 PolarHBondContact O-N 3.28Å; L309-K312 CarbonylContact O-C 2.91Å; L309-K312 VanDerWaalsContact O-C 3.29Å; L309-K312 PolarHBondContact O-N 3.48Å; L309-K312 VanDerWaalsContact O-N 3.14Å; K312-G314 VanDerWaalsContact C-N 3.34Å; K312-G314 PolarHBondContact O-N 3.31Å; K312-C315 PolarHBondContact O-N 3.01Å; K312-G316 VanDerWaalsContact O-CA 3.3Å; K312-G316 WeakPolarHBondContact O-CA 3.33Å; K312-G316 PolarHBondContact O-N 3.08Å; K312-E675 IonicContact NZ-OE1 3.56Å; K312-E675 PolarHBondContact NZ-OE1 3.28Å; K312-E675 IonicContact NZ-OE2 3.27Å
313P75.5Confident79.2Confident111 Ų11159 Ų5972%0.72134%0.342SS*.THydrogen-bonded Turntrans-61.4-34.9-169.523-34.4000114.3L309 C315L309-P313 WeakPolarHBondContact O-CA 3.36Å; L309-P313 VanDerWaalsContact O-N 3.16Å; P313-C315 PolarHBondContact O-N 3.13Å
314G75.2Confident78Confident70 Ų7059.1 Ų59.172%0.72235%0.345SS*.THydrogen-bonded Turntrans-70.8-25.8-175.400000115.8K312K312-G314 VanDerWaalsContact C-N 3.34Å; K312-G314 PolarHBondContact O-N 3.31Å
315C74.6Confident76.6Confident73 Ų7361.3 Ų61.349%0.49336%0.358SS..THydrogen-bonded Turntrans-142.6-1.4-176.6-610000114.7K312 P313 L317 C318 R319K312-C315 PolarHBondContact O-N 3.01Å; P313-C315 PolarHBondContact O-N 3.13Å; C315-L317 VanDerWaalsContact C-N 3.31Å; C315-L317 PolarHBondContact O-N 3.46Å; C315-C318 WeakPolarHBondContact O-CB 3.33Å; C315-C318 PolarHBondContact O-N 3.42Å; C315-C318 VanDerWaalsContact O-N 3.15Å; C315-R319 WeakPolarHBondContact O-CG 3.41Å; C315-R319 PolarHBondContact O-N 3Å
316G78Confident75.2Confident0 Ų060.4 Ų60.40%037%0.367CS..Hα-helixtrans-59.8-40.4-175.200000112.7K312 R319 L320K312-G316 VanDerWaalsContact O-CA 3.3Å; K312-G316 WeakPolarHBondContact O-CA 3.33Å; K312-G316 PolarHBondContact O-N 3.08Å; G316-R319 PolarHBondContact O-N 3.08Å; G316-L320 WeakPolarHBondContact O-CG 3.48Å; G316-L320 PolarHBondContact O-N 3.31Å
317L78.2Confident73.7Confident119 Ų11963 Ų6362%0.62338%0.382SS*.Hα-helixtrans-66.3-39.2177.3-170.864.7000111.6L309 C315 L320 A321L309-L317 HydrophobicContact CD2-CB 4.09Å; L309-L317 VanDerWaalsContact CD2-N 3.26Å; C315-L317 VanDerWaalsContact C-N 3.31Å; C315-L317 PolarHBondContact O-N 3.46Å; L317-L320 PolarHBondContact O-N 3.21Å; L317-A321 WeakPolarHBondContact O-CB 3.24Å; L317-A321 PolarHBondContact O-N 3.48Å
318C76.8Confident72Confident85 Ų8565.7 Ų65.757%0.57440%0.402SS*.Hα-helixtrans-64.9-42.2174.2-52.20000111.6C315 A321 S322C315-C318 WeakPolarHBondContact O-CB 3.33Å; C315-C318 PolarHBondContact O-N 3.42Å; C315-C318 VanDerWaalsContact O-N 3.15Å; C318-A321 PolarHBondContact O-N 2.95Å; C318-S322 VanDerWaalsContact O-CB 3.25Å; C318-S322 WeakPolarHBondContact O-CB 3.38Å; C318-S322 PolarHBondContact O-N 3.33Å; C318-S322 PolarHBondContact O-OG 3.49Å
319R77Confident70.1Confident92 Ų9272.6 Ų72.635%0.34745%0.445SS..Hα-helixtrans-63.1-42.3176.6-72.8-178179.3-164.5-1111.9Y308 C315 G316 S322 S323 D359Y308-R319 VanDerWaalsContact OH-CD 3.32Å; Y308-R319 WeakPolarHBondContact OH-CD 3.34Å; C315-R319 WeakPolarHBondContact O-CG 3.41Å; C315-R319 PolarHBondContact O-N 3Å; G316-R319 PolarHBondContact O-N 3.08Å; R319-S322 PolarHBondContact O-OG 2.93Å; R319-S323 PolarHBondContact O-OG 3.35Å; R319-S323 VanDerWaalsContact O-OG 3.09Å; R319-D359 IonicContact CZ-OD1 3.8Å; R319-D359 IonicContact CZ-OD2 2.7Å; R319-D359 IonicContact NH1-OD1 2.67Å; R319-D359 PolarHBondContact NH1-OD1 3.44Å; R319-D359 IonicContact NH1-OD2 2.7Å; R319-D359 PolarHBondContact NH1-OD2 3.01Å
320L77.9Confident68Low10 Ų1075.6 Ų75.65%0.05247%0.469CS..Hα-helixtrans-66.7-51.1173.3-68.6175.4000111.7W305 Y308 L309 G316 L317 S322 S323 C324 L351 A352W305-L320 HydrophobicContact CB-CD1 4.05Å; Y308-L320 HydrophobicContact CD1-CD1 3.93Å; Y308-L320 HydrophobicContact CD1-CD2 4.11Å; Y308-L320 HydrophobicContact CD1-CG 3.94Å; Y308-L320 HydrophobicContact CE1-CD1 4.39Å; Y308-L320 HydrophobicContact CE1-CD2 4.18Å; Y308-L320 HydrophobicContact CE1-CG 3.93Å; L309-L320 HydrophobicContact CD2-CD1 3.95Å; L309-L320 HydrophobicContact CG-CD1 4.29Å; G316-L320 WeakPolarHBondContact O-CG 3.48Å; G316-L320 PolarHBondContact O-N 3.31Å; L317-L320 PolarHBondContact O-N 3.21Å; L320-S322 PolarHBondContact O-N 3.03Å; L320-S323 CarbonylContact O-C 3.45Å; L320-S323 PolarHBondContact O-N 2.83Å; L320-C324 PolarHBondContact O-N 2.84Å; L320-C324 VanDerWaalsContact O-N 3.09Å; L320-L351 HydrophobicContact CD2-CD2 4.35Å; L320-L351 HydrophobicContact CD2-CG 4.05Å; L320-L351 WeakPolarHBondContact O-CD2 3.45Å; L320-A352 HydrophobicContact CD2-CB 4.01Å
321A71.8Confident66.4Low50 Ų5073.5 Ų73.541%0.41347%0.474SS..Hα-helixtrans-59.7-43.6-178.700000112.6L317 C318 S323 C324 T327L317-A321 WeakPolarHBondContact O-CB 3.24Å; L317-A321 PolarHBondContact O-N 3.48Å; C318-A321 PolarHBondContact O-N 2.95Å; A321-S323 PolarHBondContact O-N 3.28Å; A321-S323 VanDerWaalsContact O-N 3.09Å; A321-C324 VanDerWaalsContact O-CB 3.27Å; A321-C324 WeakPolarHBondContact O-CB 3.47Å; A321-C324 PolarHBondContact O-N 3.32Å; A321-C324 VanDerWaalsContact O-N 3.08Å; A321-T327 PolarHBondContact O-OG1 3.41Å
322S68.4Low64.6Low96 Ų9673 Ų7367%0.67148%0.482SS*.THydrogen-bonded Turntrans-61.1-18.2175.6660000114.5C318 R319 L320C318-S322 VanDerWaalsContact O-CB 3.25Å; C318-S322 WeakPolarHBondContact O-CB 3.38Å; C318-S322 PolarHBondContact O-N 3.33Å; C318-S322 PolarHBondContact O-OG 3.49Å; R319-S322 PolarHBondContact O-OG 2.93Å; L320-S322 PolarHBondContact O-N 3.03Å
323S65.9Low63Low50 Ų5080.5 Ų80.535%0.3551%0.509SS..THydrogen-bonded Turntrans-1116.7179.9-52.80000112.7R319 L320 A321 L351R319-S323 PolarHBondContact O-OG 3.35Å; R319-S323 VanDerWaalsContact O-OG 3.09Å; L320-S323 CarbonylContact O-C 3.45Å; L320-S323 PolarHBondContact O-N 2.83Å; A321-S323 PolarHBondContact O-N 3.28Å; A321-S323 VanDerWaalsContact O-N 3.09Å; S323-L351 WeakPolarHBondContact O-CD2 3.36Å
324C65.1Low61.7Low15 Ų1577.3 Ų77.310%0.10149%0.485CS..  trans-76.3129.7-178.5-175.20000110.9L320 A321 C326 T327L320-C324 PolarHBondContact O-N 2.84Å; L320-C324 VanDerWaalsContact O-N 3.09Å; A321-C324 VanDerWaalsContact O-CB 3.27Å; A321-C324 WeakPolarHBondContact O-CB 3.47Å; A321-C324 PolarHBondContact O-N 3.32Å; A321-C324 VanDerWaalsContact O-N 3.08Å; C324-C326 PolarHBondContact O-N 2.82Å; C324-T327 PolarHBondContact O-N 3.38Å; C324-T327 PolarHBondContact O-OG1 2.88Å; C324-T327 VanDerWaalsContact O-OG1 3.11Å
325P59.2Low60.3Low51 Ų5178.9 Ų78.933%0.33149%0.485SS..G310 helixtrans-59.4-33.7176.4-24.534.8000113.2T327 S328 L334P325-T327 PolarHBondContact O-N 2.88Å; P325-S328 PolarHBondContact O-N 3.46Å; P325-L334 HydrophobicContact CG-CD2 4.21Å
326C57Low59.1Low84 Ų8483.3 Ų83.357%0.56850%0.499SS*.G310 helixtrans-69.8-13.5-173.2-51.70000114.5C324 C345C324-C326 PolarHBondContact O-N 2.82Å; C326-C345 PolarHBondContact SG-O 2.93Å; C326-C345 VanDerWaalsContact SG-O 3.35Å
327T51.5Low58.2Low107 Ų10785.8 Ų85.866%0.65652%0.516SS*.G310 helixtrans-107.85.2-179.549.70000113.2A321 C324 P325A321-T327 PolarHBondContact O-OG1 3.41Å; C324-T327 PolarHBondContact O-N 3.38Å; C324-T327 PolarHBondContact O-OG1 2.88Å; C324-T327 VanDerWaalsContact O-OG1 3.11Å; P325-T327 PolarHBondContact O-N 2.88Å
328S48.4Very low57.9Low67 Ų6781 Ų8147%0.46949%0.492SS..  trans-127.7131.1-178.5-177.10000111.5P325 S330 G331P325-S328 PolarHBondContact O-N 3.46Å; S328-S330 PolarHBondContact O-N 2.89Å; S328-S330 PolarHBondContact OG-N 3.18Å; S328-G331 PolarHBondContact O-N 3.46Å
329V44.4Very low57.8Low158 Ų15879.8 Ų79.896%0.95848%0.482SS*.SBendtrans-66.4-9.5178.5-168.60000112.1G331V329-G331 VanDerWaalsContact C-N 3.34Å; V329-G331 PolarHBondContact O-N 3.35Å
330S42.6Very low57.7Low104 Ų10478.6 Ų78.673%0.72749%0.485SS*.  trans-93.140.5173.9-67.50000113.6S328 S332S328-S330 PolarHBondContact O-N 2.89Å; S328-S330 PolarHBondContact OG-N 3.18Å; S330-S332 PolarHBondContact O-N 3.44Å
331G45.4Very low57.6Low57 Ų5780.4 Ų80.459%0.58849%0.493SS*.THydrogen-bonded Turntrans-69.192.4176.800000113S328 V329S328-G331 PolarHBondContact O-N 3.46Å; V329-G331 VanDerWaalsContact C-N 3.34Å; V329-G331 PolarHBondContact O-N 3.35Å
332S43.2Very low57.2Low69 Ų6984.3 Ų84.348%0.48350%0.502SS..THydrogen-bonded Turntrans-161.5-49.2174.4162.60000114.1S330 L334 S335S330-S332 PolarHBondContact O-N 3.44Å; S332-L334 VanDerWaalsContact C-N 3.27Å; S332-L334 PolarHBondContact O-N 3.49Å; S332-S335 PolarHBondContact O-OG 2.75Å
333R46.8Very low57.4Low222 Ų22281 Ų8184%0.83848%0.478SS*.THydrogen-bonded Turntrans-72.3-1.2-160.3-59.9-170.2-172.9-173.73.6117.3
334L49.3Very low57.6Low44 Ų4481.9 Ų81.923%0.2348%0.478CS..THydrogen-bonded Turntrans-90-48.8-178.3-169.465.5000112.4P325 S332 Q336 S337 R354P325-L334 HydrophobicContact CG-CD2 4.21Å; S332-L334 VanDerWaalsContact C-N 3.27Å; S332-L334 PolarHBondContact O-N 3.49Å; L334-Q336 PolarHBondContact O-N 2.93Å; L334-S337 PolarHBondContact O-N 3.29Å; L334-S337 PolarHBondContact O-OG 3.26Å; L334-R354 VanDerWaalsContact CD1-NH1 3.29Å
335S45.6Very low57.7Low103 Ų10387 Ų8772%0.7251%0.513SS*.THydrogen-bonded Turntrans-68.9-12.7-175.753.10000114.2S332 S337S332-S335 PolarHBondContact O-OG 2.75Å; S335-S337 VanDerWaalsContact C-N 3.29Å; S335-S337 PolarHBondContact O-N 3.36Å
336Q49.4Very low58Low167 Ų16786.4 Ų86.478%0.7851%0.51SS*.THydrogen-bonded Turntrans-87.810.1-178.2-139168.215.500113.7L334L334-Q336 PolarHBondContact O-N 2.93Å
337S58.2Low58.8Low52 Ų5283.3 Ų83.336%0.36449%0.491SS..THydrogen-bonded Turntrans-145.4-10.1-175.867.30000116.3L334 S335 R454L334-S337 PolarHBondContact O-N 3.29Å; L334-S337 PolarHBondContact O-OG 3.26Å; S335-S337 VanDerWaalsContact C-N 3.29Å; S335-S337 PolarHBondContact O-N 3.36Å; S337-R454 PolarHBondContact O-NH1 2.94Å; S337-R454 PolarHBondContact O-NH2 2.85Å
338V71.3Confident60.2Low18 Ų1879.5 Ų79.511%0.10947%0.469CS..  trans-135.1128.5179.1-171.90000108.1V340 V350 I367V338-V340 HydrophobicContact CB-CG2 4.28Å; V338-V340 HydrophobicContact CG1-CG2 3.97Å; V338-V350 HydrophobicContact CG1-CG1 4.38Å; V338-I367 HydrophobicContact CG1-CB 4.26Å; V338-I367 HydrophobicContact CG1-CG2 3.77Å; V338-I367 HydrophobicContact CG2-CB 4.38Å
339T74.9Confident61.9Low59 Ų5977.9 Ų77.936%0.36246%0.455SS..EExtended strand (participates in β ladder)trans-79.4125171.7-55.80000108.4V368 Y369 T370T339-V368 PolarHBondContact N-O 2.6Å; T339-Y369 HydrophobicContact CG2-CD2 3.84Å; T339-Y369 HydrophobicContact CG2-CE2 4.21Å; T339-Y369 CarbonylContact O-C 3.4Å; T339-Y369 VanDerWaalsContact O-CA 3.29Å; T339-Y369 WeakPolarHBondContact O-CA 3.28Å; T339-T370 PolarHBondContact O-N 3.48Å
340V76.4Confident63.8Low67 Ų6770.6 Ų70.641%0.40641%0.411SS..EExtended strand (participates in β ladder)trans-129.8124.3-172.4-175.40000110V338 D343 V350 T370V338-V340 HydrophobicContact CB-CG2 4.28Å; V338-V340 HydrophobicContact CG1-CG2 3.97Å; V340-D343 HydrophobicContact CG1-CB 3.63Å; V340-V350 HydrophobicContact CB-CG2 4.38Å; V340-V350 HydrophobicContact CG1-CG2 3.67Å; V340-V350 HydrophobicContact CG2-CG1 4.4Å; V340-V350 HydrophobicContact CG2-CG2 3.76Å; V340-T370 WeakPolarHBondContact CA-O 3.5Å
341E73.8Confident65.8Low49 Ų4966.3 Ų66.323%0.22938%0.38CS..EExtended strand (participates in β ladder)trans-111.6125.4176178.9175-132.800110.1D343 Y369 T370 S371 C372 K441E341-D343 VanDerWaalsContact C-N 3.3Å; E341-D343 PolarHBondContact O-N 2.89Å; E341-D343 VanDerWaalsContact O-N 3.12Å; E341-Y369 PolarHBondContact OE2-OH 2.97Å; E341-T370 PolarHBondContact N-O 3.48Å; E341-S371 WeakPolarHBondContact OE2-CB 3.45Å; E341-S371 PolarHBondContact OE2-OG 3.39Å; E341-C372 PolarHBondContact O-N 3.21Å; E341-K441 IonicContact OE1-NZ 3.91Å; E341-K441 PolarHBondContact OE1-NZ 2.73Å; E341-K441 IonicContact OE2-NZ 2.83Å; E341-K441 PolarHBondContact OE2-NZ 3Å
342E65.3Low67.8Low131 Ų13163.7 Ų63.761%0.61235%0.352SS*.SBendtrans51.429.2173.3-60.8-165.1-179.800118C372 H373E342-C372 WeakPolarHBondContact O-CB 3.46Å; E342-H373 VanDerWaalsContact CD-ND1 3.3Å; E342-H373 IonicContact OE1-ND1 2.86Å; E342-H373 IonicContact OE2-CE1 2.76Å; E342-H373 IonicContact OE2-CG 3.09Å; E342-H373 IonicContact OE2-ND1 2.84Å; E342-H373 PolarHBondContact OE2-ND1 3.38Å
343D72.8Confident70.1Confident28 Ų2860.6 Ų60.615%0.1533%0.33CS..  trans-68.5160.2164.4-157.6-5.5000110.8V340 E341 G347 N349 V350 C372V340-D343 HydrophobicContact CG1-CB 3.63Å; E341-D343 VanDerWaalsContact C-N 3.3Å; E341-D343 PolarHBondContact O-N 2.89Å; E341-D343 VanDerWaalsContact O-N 3.12Å; D343-G347 WeakPolarHBondContact OD2-CA 3.37Å; D343-N349 WeakPolarHBondContact OD1-CB 3.28Å; D343-N349 PolarHBondContact OD1-N 3.29Å; D343-N349 PolarHBondContact OD1-ND2 3.45Å; D343-N349 PolarHBondContact OD2-N 3.17Å; D343-V350 WeakPolarHBondContact OD2-CG2 3.39Å; D343-V350 PolarHBondContact OD2-N 3.03Å; D343-C372 HydrophobicContact CB-CB 4.47Å
344N69.4Low72.1Confident67 Ų6755.7 Ų55.736%0.35831%0.312SS..  trans-67.8170.4-177.974.922.1000112.6C346 G347 C348N344-C346 PolarHBondContact O-N 2.67Å; N344-C346 PolarHBondContact OD1-N 3.44Å; N344-G347 PolarHBondContact O-N 3.29Å; N344-G347 PolarHBondContact OD1-N 3.21Å; N344-G347 VanDerWaalsContact OD1-N 3.12Å; N344-C348 WeakPolarHBondContact ND2-CB 3.48Å; N344-C348 PolarHBondContact OD1-N 3.42Å; N344-C348 VanDerWaalsContact OD1-N 3.09Å
345C66.1Low73.9Confident124 Ų12455.9 Ų55.984%0.83831%0.31SS*.THydrogen-bonded Turntrans-57.8-10.1-176.960.80000116C326C326-C345 PolarHBondContact SG-O 2.93Å; C326-C345 VanDerWaalsContact SG-O 3.35Å
346C66.8Low75.9Confident38 Ų3851.6 Ų51.626%0.25728%0.278SS..THydrogen-bonded Turntrans-111.8-1.8177.2-67.20000113.5N344 C348N344-C346 PolarHBondContact O-N 2.67Å; N344-C346 PolarHBondContact OD1-N 3.44Å; C346-C348 VanDerWaalsContact C-N 3.3Å; C346-C348 VanDerWaalsContact CB-SG 3.56Å; C346-C348 PolarHBondContact O-N 3.1Å
347G73.8Confident77.9Confident18 Ų1843.9 Ų43.919%0.18624%0.242CC..  trans64.230.6-174.900000113.7D343 N344 N349 L351D343-G347 WeakPolarHBondContact OD2-CA 3.37Å; N344-G347 PolarHBondContact O-N 3.29Å; N344-G347 PolarHBondContact OD1-N 3.21Å; N344-G347 VanDerWaalsContact OD1-N 3.12Å; G347-N349 VanDerWaalsContact C-N 3.32Å; G347-N349 PolarHBondContact O-N 2.92Å; G347-L351 WeakPolarHBondContact O-CB 3.34Å; G347-L351 PolarHBondContact O-N 3.13Å
348C79.9Confident79.3Confident28 Ų2844.9 Ų44.919%0.18924%0.243CC..Hα-helixtrans-64.3-31.1-168.4-680000113.9W305 N344 C346 A352W305-C348 HydrophobicContact CB-CB 4.17Å; W305-C348 HydrophobicContact CG-CB 3.98Å; N344-C348 WeakPolarHBondContact ND2-CB 3.48Å; N344-C348 PolarHBondContact OD1-N 3.42Å; N344-C348 VanDerWaalsContact OD1-N 3.09Å; C346-C348 VanDerWaalsContact C-N 3.3Å; C346-C348 VanDerWaalsContact CB-SG 3.56Å; C346-C348 PolarHBondContact O-N 3.1Å; C348-A352 WeakPolarHBondContact O-CB 3.33Å; C348-A352 PolarHBondContact O-N 3.19Å
349N83.9Confident79.9Confident33 Ų3346.4 Ų46.418%0.17625%0.251CS..Hα-helixtrans-73.9-50.3-178.3-67-66.2000110.7W305 D343 G347 L351 A352 I353W305-N349 VanDerWaalsContact CD1-OD1 3.26Å; D343-N349 WeakPolarHBondContact OD1-CB 3.28Å; D343-N349 PolarHBondContact OD1-N 3.29Å; D343-N349 PolarHBondContact OD1-ND2 3.45Å; D343-N349 PolarHBondContact OD2-N 3.17Å; G347-N349 VanDerWaalsContact C-N 3.32Å; G347-N349 PolarHBondContact O-N 2.92Å; N349-L351 VanDerWaalsContact C-N 3.26Å; N349-L351 PolarHBondContact O-N 3.47Å; N349-A352 PolarHBondContact O-N 3.1Å; N349-A352 VanDerWaalsContact O-N 3.15Å; N349-I353 VanDerWaalsContact O-CG1 3.27Å; N349-I353 WeakPolarHBondContact O-CG1 3.16Å; N349-I353 PolarHBondContact O-N 3.29Å
350V84.9Confident80.2Confident5 Ų544.6 Ų44.63%0.0324%0.237CC..Hα-helixtrans-59.3-40.9174.9176.50000110.8V338 V340 D343 R354 T370V338-V350 HydrophobicContact CG1-CG1 4.38Å; V340-V350 HydrophobicContact CB-CG2 4.38Å; V340-V350 HydrophobicContact CG1-CG2 3.67Å; V340-V350 HydrophobicContact CG2-CG1 4.4Å; V340-V350 HydrophobicContact CG2-CG2 3.76Å; D343-V350 WeakPolarHBondContact OD2-CG2 3.39Å; D343-V350 PolarHBondContact OD2-N 3.03Å; V350-R354 WeakPolarHBondContact O-CB 3.44Å; V350-R354 PolarHBondContact O-N 2.91Å; V350-T370 HydrophobicContact CG2-CG2 3.84Å
351L84.6Confident80.6Confident13 Ų1345.6 Ų45.67%0.06824%0.24CC..Hα-helixtrans-64.7-41.7176179.358.2000112.4L320 S323 G347 N349 R354 R355L320-L351 HydrophobicContact CD2-CD2 4.35Å; L320-L351 HydrophobicContact CD2-CG 4.05Å; L320-L351 WeakPolarHBondContact O-CD2 3.45Å; S323-L351 WeakPolarHBondContact O-CD2 3.36Å; G347-L351 WeakPolarHBondContact O-CB 3.34Å; G347-L351 PolarHBondContact O-N 3.13Å; N349-L351 VanDerWaalsContact C-N 3.26Å; N349-L351 PolarHBondContact O-N 3.47Å; L351-R354 PolarHBondContact O-N 3.08Å; L351-R355 VanDerWaalsContact O-CB 3.23Å; L351-R355 WeakPolarHBondContact O-CB 3.23Å; L351-R355 PolarHBondContact O-N 2.8Å
352A88.3Confident81.3Confident2 Ų244.3 Ų44.32%0.01724%0.235CC..Hα-helixtrans-67.8-41.4177.200000112.7W305 Y308 L320 C348 N349 R355 H356W305-A352 VanDerWaalsContact CA-CB 3.47Å; W305-A352 HydrophobicContact CB-CB 3.82Å; Y308-A352 HydrophobicContact CG-CB 4.48Å; L320-A352 HydrophobicContact CD2-CB 4.01Å; C348-A352 WeakPolarHBondContact O-CB 3.33Å; C348-A352 PolarHBondContact O-N 3.19Å; N349-A352 PolarHBondContact O-N 3.1Å; N349-A352 VanDerWaalsContact O-N 3.15Å; A352-R355 PolarHBondContact O-N 2.64Å; A352-H356 WeakPolarHBondContact O-CB 3.28Å; A352-H356 PolarHBondContact O-N 2.91Å
353I90.6Very high82.3Confident4 Ų444.1 Ų44.12%0.02123%0.232CC..Hα-helixtrans-57.4-50.4172.3-64.2159.6000109.1A301 N349 R355 H356 F357 I367 T370 F382A301-I353 HydrophobicContact CB-CG2 4.29Å; A301-I353 VanDerWaalsContact O-CG1 3.3Å; A301-I353 WeakPolarHBondContact O-CG1 3.2Å; N349-I353 VanDerWaalsContact O-CG1 3.27Å; N349-I353 WeakPolarHBondContact O-CG1 3.16Å; N349-I353 PolarHBondContact O-N 3.29Å; I353-R355 VanDerWaalsContact C-N 3.35Å; I353-R355 PolarHBondContact O-N 3.48Å; I353-H356 WeakPolarHBondContact O-CB 3.34Å; I353-H356 PolarHBondContact O-N 3.43Å; I353-F357 HydrophobicContact CG2-CD2 4.35Å; I353-F357 HydrophobicContact CG2-CE2 3.86Å; I353-F357 WeakPolarHBondContact O-CD2 3.19Å; I353-F357 PolarHBondContact O-N 3.21Å; I353-I367 HydrophobicContact CB-CD1 3.99Å; I353-I367 HydrophobicContact CG2-CD1 3.54Å; I353-I367 HydrophobicContact CG2-CG1 4.14Å; I353-T370 HydrophobicContact CD1-CG2 3.92Å; I353-F382 HydrophobicContact CD1-CB 4.43Å; I353-F382 HydrophobicContact CD1-CD1 4.05Å; I353-F382 HydrophobicContact CD1-CG 4.33Å; I353-F382 HydrophobicContact CG2-CD1 4.37Å; I353-F382 HydrophobicContact CG2-CD2 4.29Å; I353-F382 HydrophobicContact CG2-CE1 4.17Å; I353-F382 HydrophobicContact CG2-CE2 4.1Å; I353-F382 HydrophobicContact CG2-CG 4.43Å; I353-F382 HydrophobicContact CG2-CZ 4.04Å
354R88.1Confident82.9Confident120 Ų12048 Ų4845%0.45325%0.249SC..Hα-helixtrans-61.5-41.7177.7-172.3178.3178.8176.60.1112.1L334 V350 L351 H356 F357 L358 I367L334-R354 VanDerWaalsContact CD1-NH1 3.29Å; V350-R354 WeakPolarHBondContact O-CB 3.44Å; V350-R354 PolarHBondContact O-N 2.91Å; L351-R354 PolarHBondContact O-N 3.08Å; R354-H356 VanDerWaalsContact C-N 3.35Å; R354-F357 PolarHBondContact O-N 3.38Å; R354-L358 HydrophobicContact CG-CD1 3.93Å; R354-L358 HydrophobicContact CG-CG 4.47Å; R354-L358 WeakPolarHBondContact O-CG 3.48Å; R354-L358 PolarHBondContact O-N 3.41Å; R354-L358 VanDerWaalsContact O-N 3.11Å; R354-I367 HydrophobicContact CB-CD1 3.96Å
355R87.1Confident84Confident48 Ų4845.6 Ų45.618%0.18124%0.237CC..Hα-helixtrans-70.8-30.6-178.3-158.471.3-165.470.56.2112.2Y308 L351 A352 I353 L358 D359Y308-R355 HydrophobicContact CE1-CG 4.5Å; Y308-R355 HydrophobicContact CE2-CB 4.15Å; Y308-R355 HydrophobicContact CE2-CG 4.06Å; Y308-R355 WeakPolarHBondContact OH-CG 3.29Å; L351-R355 VanDerWaalsContact O-CB 3.23Å; L351-R355 WeakPolarHBondContact O-CB 3.23Å; L351-R355 PolarHBondContact O-N 2.8Å; A352-R355 PolarHBondContact O-N 2.64Å; I353-R355 VanDerWaalsContact C-N 3.35Å; I353-R355 PolarHBondContact O-N 3.48Å; R355-L358 PolarHBondContact O-N 3.14Å; R355-D359 IonicContact CZ-OD1 3.76Å; R355-D359 IonicContact CZ-OD2 3.38Å; R355-D359 IonicContact NH1-OD1 2.67Å; R355-D359 PolarHBondContact NH1-OD1 3.49Å; R355-D359 IonicContact NH1-OD2 2.68Å; R355-D359 IonicContact NH2-OD1 2.65Å; R355-D359 PolarHBondContact NH2-OD1 3.49Å; R355-D359 IonicContact NH2-OD2 3.45Å; R355-D359 WeakPolarHBondContact O-CB 3.41Å; R355-D359 PolarHBondContact O-N 2.95Å
356H89.2Confident85.2Confident13 Ų1342.9 Ų42.96%0.0621%0.212CC..Hα-helixtrans-57.5-50.8173-173.4123.7000111.6L297 A301 A352 I353 R354 R360L297-H356 PolarHBondContact O-NE2 3.38Å; A301-H356 HydrophobicContact CB-CB 4.39Å; A352-H356 WeakPolarHBondContact O-CB 3.28Å; A352-H356 PolarHBondContact O-N 2.91Å; I353-H356 WeakPolarHBondContact O-CB 3.34Å; I353-H356 PolarHBondContact O-N 3.43Å; R354-H356 VanDerWaalsContact C-N 3.35Å; H356-R360 WeakPolarHBondContact O-CG 3.34Å
357F90.8Very high86.4Confident5 Ų541.6 Ų41.62%0.02220%0.202CC..Hα-helixtrans-69.9-40.3178.3-64.5-68.4000112F298 A301 I353 R354 D359 R360 D361 L362 V365 F382F298-F357 HydrophobicContact CD1-CE1 4.02Å; F298-F357 AromaticContact CD1-CZ 3.58Å; F298-F357 HydrophobicContact CD1-CZ 3.58Å; F298-F357 HydrophobicContact CD2-CE1 4.06Å; F298-F357 HydrophobicContact CD2-CZ 4.33Å; F298-F357 AromaticContact CE1-CE1 3.94Å; F298-F357 HydrophobicContact CE1-CE1 3.94Å; F298-F357 AromaticContact CE1-CZ 3.78Å; F298-F357 HydrophobicContact CE1-CZ 3.78Å; F298-F357 AromaticContact CE2-CE1 3.97Å; F298-F357 HydrophobicContact CE2-CE1 3.97Å; F298-F357 HydrophobicContact CE2-CZ 4.49Å; F298-F357 HydrophobicContact CG-CE1 4.08Å; F298-F357 AromaticContact CG-CZ 3.88Å; F298-F357 HydrophobicContact CG-CZ 3.88Å; F298-F357 AromaticContact CZ-CE1 3.91Å; F298-F357 HydrophobicContact CZ-CE1 3.91Å; F298-F357 HydrophobicContact CZ-CZ 4.24Å; A301-F357 HydrophobicContact CB-CE2 4.05Å; A301-F357 HydrophobicContact CB-CZ 4.04Å; I353-F357 HydrophobicContact CG2-CD2 4.35Å; I353-F357 HydrophobicContact CG2-CE2 3.86Å; I353-F357 WeakPolarHBondContact O-CD2 3.19Å; I353-F357 PolarHBondContact O-N 3.21Å; R354-F357 PolarHBondContact O-N 3.38Å; F357-D359 PolarHBondContact O-N 3.26Å; F357-R360 CarbonylContact O-C 3.56Å; F357-R360 PolarHBondContact O-N 2.88Å; F357-R360 VanDerWaalsContact O-N 3.1Å; F357-D361 PolarHBondContact O-N 2.96Å; F357-L362 HydrophobicContact CB-CB 4.13Å; F357-L362 HydrophobicContact CD1-CB 4.26Å; F357-L362 HydrophobicContact CD1-CD1 4.03Å; F357-L362 PolarHBondContact O-N 3.36Å; F357-V365 HydrophobicContact CD1-CB 4.26Å; F357-V365 HydrophobicContact CD1-CG1 4.2Å; F357-V365 HydrophobicContact CD1-CG2 4.18Å; F357-V365 HydrophobicContact CD2-CG1 4.11Å; F357-V365 HydrophobicContact CE1-CG1 4.21Å; F357-V365 HydrophobicContact CE2-CG1 4.12Å; F357-V365 HydrophobicContact CG-CB 4.23Å; F357-V365 HydrophobicContact CG-CG1 4.16Å; F357-V365 HydrophobicContact CZ-CG1 4.18Å; F357-F382 HydrophobicContact CE2-CE2 4.32Å; F357-F382 HydrophobicContact CE2-CZ 4.22Å; F357-F382 HydrophobicContact CZ-CZ 4.22Å
358L86.7Confident87.2Confident73 Ų7340.8 Ų40.838%0.38219%0.194SC..Hα-helixtrans-67.1-30.2178.4-71.6175.1000114.1R354 R355 R360 K363R354-L358 HydrophobicContact CG-CD1 3.93Å; R354-L358 HydrophobicContact CG-CG 4.47Å; R354-L358 WeakPolarHBondContact O-CG 3.48Å; R354-L358 PolarHBondContact O-N 3.41Å; R354-L358 VanDerWaalsContact O-N 3.11Å; R355-L358 PolarHBondContact O-N 3.14Å; L358-R360 PolarHBondContact O-N 3.31Å; L358-K363 HydrophobicContact CD2-CG 4.24Å
359D84.6Confident87.9Confident50 Ų5039.5 Ų39.527%0.26719%0.185SC..THydrogen-bonded Turntrans-74.1-3.6172.9-91.8-19.4000113.5Y308 R319 R355 F357Y308-D359 PolarHBondContact OH-OD2 3.5Å; R319-D359 IonicContact CZ-OD1 3.8Å; R319-D359 IonicContact CZ-OD2 2.7Å; R319-D359 IonicContact NH1-OD1 2.67Å; R319-D359 PolarHBondContact NH1-OD1 3.44Å; R319-D359 IonicContact NH1-OD2 2.7Å; R319-D359 PolarHBondContact NH1-OD2 3.01Å; R355-D359 IonicContact CZ-OD1 3.76Å; R355-D359 IonicContact CZ-OD2 3.38Å; R355-D359 IonicContact NH1-OD1 2.67Å; R355-D359 PolarHBondContact NH1-OD1 3.49Å; R355-D359 IonicContact NH1-OD2 2.68Å; R355-D359 IonicContact NH2-OD1 2.65Å; R355-D359 PolarHBondContact NH2-OD1 3.49Å; R355-D359 IonicContact NH2-OD2 3.45Å; R355-D359 WeakPolarHBondContact O-CB 3.41Å; R355-D359 PolarHBondContact O-N 2.95Å; F357-D359 PolarHBondContact O-N 3.26Å
360R81.6Confident88.2Confident21 Ų2138 Ų388%0.07918%0.177CC..THydrogen-bonded Turntrans-12119.2179.5-59.7176.5-178-105.9-62.3111.8R311 H356 F357 L358 L362 E678 V679R311-R360 VanDerWaalsContact NH1-CZ 3.29Å; R311-R360 VanDerWaalsContact NH1-NH1 3.11Å; H356-R360 WeakPolarHBondContact O-CG 3.34Å; F357-R360 CarbonylContact O-C 3.56Å; F357-R360 PolarHBondContact O-N 2.88Å; F357-R360 VanDerWaalsContact O-N 3.1Å; L358-R360 PolarHBondContact O-N 3.31Å; R360-L362 HydrophobicContact CB-CD1 4.4Å; R360-L362 HydrophobicContact CB-CG 4.19Å; R360-L362 WeakPolarHBondContact O-CG 3.5Å; R360-L362 PolarHBondContact O-N 3.2Å; R360-E678 WeakPolarHBondContact CD-OE2 3.48Å; R360-E678 WeakPolarHBondContact CG-OE2 3.5Å; R360-E678 IonicContact CZ-OE1 2.7Å; R360-E678 IonicContact CZ-OE2 2.79Å; R360-E678 IonicContact NE-OE2 3.01Å; R360-E678 PolarHBondContact NE-OE2 3.13Å; R360-E678 IonicContact NH1-OE1 2.78Å; R360-E678 PolarHBondContact NH1-OE1 3.11Å; R360-E678 IonicContact NH1-OE2 2.72Å; R360-E678 PolarHBondContact NH1-OE2 3.17Å; R360-E678 IonicContact NH2-OE1 2.63Å; R360-E678 PolarHBondContact NH2-OE1 2.86Å; R360-E678 IonicContact NH2-OE2 3.31Å; R360-E678 PolarHBondContact NH2-OE2 3.46Å; R360-V679 VanDerWaalsContact O-CG2 3.31Å; R360-V679 WeakPolarHBondContact O-CG2 3.36Å
361D84.8Confident88.5Confident87 Ų8738 Ų3847%0.46518%0.177SC..THydrogen-bonded Turntrans49.916.5-171.8-139.848.4000117.3F357 K363 V679F357-D361 PolarHBondContact O-N 2.96Å; D361-K363 PolarHBondContact O-N 3.34Å; D361-K363 WeakPolarHBondContact OD1-CE 3.37Å; D361-K363 IonicContact OD1-NZ 2.88Å; D361-K363 PolarHBondContact OD1-NZ 3.09Å; D361-K363 IonicContact OD2-NZ 3.85Å; D361-K363 PolarHBondContact OD2-NZ 2.95Å; D361-V679 HydrophobicContact CB-CG1 4.36Å
362L88.3Confident88.4Confident23 Ų2338.5 Ų38.512%0.1218%0.181CC..  trans-77.650.5-179.5-62.2-177.8000112.2Y294 L297 F357 R360 Q364 V365Y294-L362 HydrophobicContact CE2-CD1 3.88Å; Y294-L362 HydrophobicContact CE2-CD2 4.11Å; L297-L362 HydrophobicContact CD1-CD1 3.72Å; F357-L362 HydrophobicContact CB-CB 4.13Å; F357-L362 HydrophobicContact CD1-CB 4.26Å; F357-L362 HydrophobicContact CD1-CD1 4.03Å; F357-L362 PolarHBondContact O-N 3.36Å; R360-L362 HydrophobicContact CB-CD1 4.4Å; R360-L362 HydrophobicContact CB-CG 4.19Å; R360-L362 WeakPolarHBondContact O-CG 3.5Å; R360-L362 PolarHBondContact O-N 3.2Å; L362-Q364 PolarHBondContact O-N 3.22Å; L362-V365 HydrophobicContact CB-CG2 4.19Å; L362-V365 PolarHBondContact O-N 3.43Å; L362-V365 VanDerWaalsContact O-N 3.09Å
363K85.6Confident88Confident127 Ų12740.2 Ų40.255%0.55219%0.189SC*.THydrogen-bonded Turntrans-57.9-16.1178.9-66.5161.5177144.50114.1L358 D361 V365L358-K363 HydrophobicContact CD2-CG 4.24Å; D361-K363 PolarHBondContact O-N 3.34Å; D361-K363 WeakPolarHBondContact OD1-CE 3.37Å; D361-K363 IonicContact OD1-NZ 2.88Å; D361-K363 PolarHBondContact OD1-NZ 3.09Å; D361-K363 IonicContact OD2-NZ 3.85Å; D361-K363 PolarHBondContact OD2-NZ 2.95Å; K363-V365 VanDerWaalsContact C-N 3.34Å
364Q86.6Confident87.3Confident108 Ų10841.6 Ų41.651%0.50520%0.196SC..THydrogen-bonded Turntrans-85.4-2.9178.7-63.5-169.661.100113.9L362 H387 A388L362-Q364 PolarHBondContact O-N 3.22Å; Q364-H387 HydrophobicContact CB-CB 4.41Å; Q364-H387 PolarHBondContact O-CD2 3.36Å; Q364-H387 PolarHBondContact O-N 2.7Å; Q364-A388 HydrophobicContact CB-CB 4.28Å
365V92.8Very high86.6Confident18 Ų1836.9 Ų36.911%0.10918%0.183CC..EExtended strand (participates in β ladder)trans-93.8115.6175.1-177.60000109.6F298 F357 L362 K363 A384 V385 D386F298-V365 HydrophobicContact CE1-CG1 3.77Å; F298-V365 HydrophobicContact CZ-CG1 4.05Å; F298-V365 HydrophobicContact CZ-CG2 3.94Å; F357-V365 HydrophobicContact CD1-CB 4.26Å; F357-V365 HydrophobicContact CD1-CG1 4.2Å; F357-V365 HydrophobicContact CD1-CG2 4.18Å; F357-V365 HydrophobicContact CD2-CG1 4.11Å; F357-V365 HydrophobicContact CE1-CG1 4.21Å; F357-V365 HydrophobicContact CE2-CG1 4.12Å; F357-V365 HydrophobicContact CG-CB 4.23Å; F357-V365 HydrophobicContact CG-CG1 4.16Å; F357-V365 HydrophobicContact CZ-CG1 4.18Å; L362-V365 HydrophobicContact CB-CG2 4.19Å; L362-V365 PolarHBondContact O-N 3.43Å; L362-V365 VanDerWaalsContact O-N 3.09Å; K363-V365 VanDerWaalsContact C-N 3.34Å; V365-A384 HydrophobicContact CG1-CB 4.01Å; V365-V385 CarbonylContact C-O 3.28Å; V365-V385 WeakPolarHBondContact CA-O 3.29Å; V365-D386 HydrophobicContact CG2-CB 4.44Å
366H90.9Very high85.9Confident67 Ų6737 Ų3731%0.3119%0.189SC..EExtended strand (participates in β ladder)trans-111.9115.7179.2-64.1-95.4000110.7A384 V385 H387H366-A384 CarbonylContact O-C 3.29Å; H366-A384 VanDerWaalsContact O-CA 3.28Å; H366-A384 WeakPolarHBondContact O-CA 3.47Å; H366-V385 PolarHBondContact N-O 3.32Å; H366-V385 PolarHBondContact O-N 3Å; H366-H387 AromaticContact CD2-CD2 3.32Å; H366-H387 PolarHBondContact CD2-CD2 3.46Å; H366-H387 AromaticContact CD2-NE2 3.21Å; H366-H387 PolarHBondContact CD2-NE2 2.82Å; H366-H387 AromaticContact NE2-CD2 3.6Å; H366-H387 AromaticContact NE2-NE2 3.63Å
367I92.3Very high85.5Confident11 Ų1139.7 Ų39.76%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-65.9136.8171.6-47.1170.1000108.7V338 I353 R354 T370 R454V338-I367 HydrophobicContact CG1-CB 4.26Å; V338-I367 HydrophobicContact CG1-CG2 3.77Å; V338-I367 HydrophobicContact CG2-CB 4.38Å; I353-I367 HydrophobicContact CB-CD1 3.99Å; I353-I367 HydrophobicContact CG2-CD1 3.54Å; I353-I367 HydrophobicContact CG2-CG1 4.14Å; R354-I367 HydrophobicContact CB-CD1 3.96Å; I367-T370 WeakPolarHBondContact CG2-OG1 3.42Å; I367-R454 PolarHBondContact O-NH2 2.95Å
368V90.7Very high85.3Confident1 Ų142.6 Ų42.61%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-107.6-48.3177.7-1710000110.4T339 V383 V385 Q450 A451T339-V368 PolarHBondContact N-O 2.6Å; V368-V383 PolarHBondContact N-O 3.45Å; V368-V385 HydrophobicContact CG2-CG2 3.72Å; V368-Q450 HydrophobicContact CG1-CB 4.16Å; V368-A451 HydrophobicContact CG1-CB 4.36Å; V368-A451 HydrophobicContact CG2-CB 4.03Å
369Y92.8Very high85.3Confident0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-140.8144.8-174.8174.4-87.3000110.1T339 E341 F381 F382 V383 E445 I447T339-Y369 HydrophobicContact CG2-CD2 3.84Å; T339-Y369 HydrophobicContact CG2-CE2 4.21Å; T339-Y369 CarbonylContact O-C 3.4Å; T339-Y369 VanDerWaalsContact O-CA 3.29Å; T339-Y369 WeakPolarHBondContact O-CA 3.28Å; E341-Y369 PolarHBondContact OE2-OH 2.97Å; Y369-F381 HydrophobicContact CD1-CD2 4.46Å; Y369-F381 AromaticContact CD1-CE2 3.86Å; Y369-F381 HydrophobicContact CD1-CE2 3.86Å; Y369-F381 HydrophobicContact CD1-CZ 4.19Å; Y369-F381 HydrophobicContact CE1-CD2 4.34Å; Y369-F381 HydrophobicContact CE1-CE1 4.09Å; Y369-F381 AromaticContact CE1-CE2 3.62Å; Y369-F381 HydrophobicContact CE1-CE2 3.62Å; Y369-F381 AromaticContact CE1-CZ 3.48Å; Y369-F381 HydrophobicContact CE1-CZ 3.48Å; Y369-F381 VanDerWaalsContact CE1-CZ 3.48Å; Y369-F382 CarbonylContact O-C 3.38Å; Y369-F382 VanDerWaalsContact O-CA 3.27Å; Y369-F382 WeakPolarHBondContact O-CA 3.21Å; Y369-F382 WeakPolarHBondContact O-CB 3.28Å; Y369-V383 PolarHBondContact N-O 3.48Å; Y369-V383 PolarHBondContact O-N 2.99Å; Y369-E445 WeakPolarHBondContact CE2-OE2 3.43Å; Y369-I447 HydrophobicContact CD1-CD1 3.93Å; Y369-I447 HydrophobicContact CD1-CG2 4.33Å; Y369-I447 HydrophobicContact CD2-CD1 3.68Å; Y369-I447 HydrophobicContact CD2-CG1 4.05Å; Y369-I447 HydrophobicContact CD2-CG2 4.38Å; Y369-I447 HydrophobicContact CE1-CD1 3.81Å; Y369-I447 HydrophobicContact CE2-CD1 3.54Å; Y369-I447 HydrophobicContact CE2-CG1 4.27Å; Y369-I447 HydrophobicContact CG-CD1 3.87Å; Y369-I447 HydrophobicContact CG-CG1 4.32Å; Y369-I447 HydrophobicContact CG-CG2 3.88Å
370T91.5Very high85.6Confident3 Ų337 Ų372%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-143.2121.8168.9-59.60000109.8T339 V340 E341 V350 I353 I367 F382T339-T370 PolarHBondContact O-N 3.48Å; V340-T370 WeakPolarHBondContact CA-O 3.5Å; E341-T370 PolarHBondContact N-O 3.48Å; V350-T370 HydrophobicContact CG2-CG2 3.84Å; I353-T370 HydrophobicContact CD1-CG2 3.92Å; I367-T370 WeakPolarHBondContact CG2-OG1 3.42Å; T370-F382 HydrophobicContact CG2-CB 4.15Å
371S89.8Confident86.3Confident3 Ų336.2 Ų36.22%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-99.5127.5163.4-168.30000109.8E341 H373 P380 F381E341-S371 WeakPolarHBondContact OE2-CB 3.45Å; E341-S371 PolarHBondContact OE2-OG 3.39Å; S371-H373 PolarHBondContact OG-N 3.44Å; S371-P380 WeakPolarHBondContact O-CB 3.33Å; S371-F381 PolarHBondContact N-O 3.49Å; S371-F381 PolarHBondContact O-N 3.38Å
372C82.6Confident86.9Confident24 Ų2432.1 Ų32.116%0.16216%0.159CC..  trans-101.73.5170.5-60.10000112.1E341 E342 D343E341-C372 PolarHBondContact O-N 3.21Å; E342-C372 WeakPolarHBondContact O-CB 3.46Å; D343-C372 HydrophobicContact CB-CB 4.47Å
373H81.1Confident87.3Confident39 Ų3931 Ų3118%0.18115%0.153CC..  trans-61.1135.4177.3-171.278000110.9E342 S371 A375 E378 P380E342-H373 VanDerWaalsContact CD-ND1 3.3Å; E342-H373 IonicContact OE1-ND1 2.86Å; E342-H373 IonicContact OE2-CE1 2.76Å; E342-H373 IonicContact OE2-CG 3.09Å; E342-H373 IonicContact OE2-ND1 2.84Å; E342-H373 PolarHBondContact OE2-ND1 3.38Å; S371-H373 PolarHBondContact OG-N 3.44Å; H373-A375 WeakPolarHBondContact NE2-CB 3.44Å; H373-E378 IonicContact CD2-OE2 2.69Å; H373-E378 PolarHBondContact CD2-OE2 3.1Å; H373-E378 VanDerWaalsContact CD2-OE2 3.26Å; H373-E378 IonicContact NE2-OE2 3.98Å; H373-E378 PolarHBondContact NE2-OE2 3.23Å; H373-P380 WeakPolarHBondContact O-CD 3.49Å; H373-P380 WeakPolarHBondContact O-CG 3.26Å
374D75.6Confident87.8Confident32 Ų3225 Ų2517%0.17113%0.127CC..  trans-137.495.9-167.8-174.3-47.9000107.4P380 R397 S401 K403D374-P380 HydrophobicContact CB-CG 4.35Å; D374-R397 IonicContact OD2-CZ 3.74Å; D374-R397 VanDerWaalsContact OD2-CZ 3.31Å; D374-R397 IonicContact OD2-NH1 2.62Å; D374-R397 PolarHBondContact OD2-NH1 3.28Å; D374-R397 IonicContact OD2-NH2 3.75Å; D374-R397 PolarHBondContact OD2-NH2 3.35Å; D374-S401 WeakPolarHBondContact OD1-CB 3.47Å; D374-S401 PolarHBondContact OD1-OG 3.46Å; D374-S401 WeakPolarHBondContact OD2-CB 3.39Å; D374-S401 PolarHBondContact OD2-OG 2.96Å; D374-K403 VanDerWaalsContact O-CD 3.29Å; D374-K403 WeakPolarHBondContact O-CD 3.48Å; D374-K403 WeakPolarHBondContact O-CE 3.45Å; D374-K403 PolarHBondContact O-NZ 2.91Å; D374-K403 VanDerWaalsContact OD1-CD 3.29Å; D374-K403 WeakPolarHBondContact OD1-CD 3.39Å
375A73.6Confident88.3Confident21 Ų2119.9 Ų19.917%0.17410%0.103CC..BIsolated β-bridgetrans-136.7171.1174.600000110.9H373 Y377 E378H373-A375 WeakPolarHBondContact NE2-CB 3.44Å; A375-Y377 PolarHBondContact O-N 2.87Å; A375-E378 HydrophobicContact CB-CB 3.97Å; A375-E378 HydrophobicContact CB-CG 4.21Å; A375-E378 PolarHBondContact N-O 2.52Å; A375-E378 PolarHBondContact O-N 3.29Å
376V72.4Confident88.4Confident51 Ų5119 Ų1931%0.30910%0.098SC..THydrogen-bonded Turntrans-65.7126.6179.9-170.20000108.1E378 K403 L406V376-E378 PolarHBondContact O-N 3.17Å; V376-K403 HydrophobicContact CG2-CB 4.31Å; V376-K403 HydrophobicContact CG2-CG 4.47Å; V376-L406 HydrophobicContact CG1-CD2 4.08Å; V376-L406 HydrophobicContact CG1-CG 4.28Å; V376-L406 HydrophobicContact CG2-CD2 4.01Å
377Y80.9Confident88.6Confident70 Ų7016.7 Ų16.728%0.2759%0.087SC..THydrogen-bonded Turntrans65.7-3-168.1-39.8-61.6000116.4A375 T407 T410 Y433 S434A375-Y377 PolarHBondContact O-N 2.87Å; Y377-T407 HydrophobicContact CD1-CG2 3.96Å; Y377-T407 HydrophobicContact CE1-CG2 4.49Å; Y377-T407 PolarHBondContact N-OG1 2.9Å; Y377-T410 HydrophobicContact CE1-CG2 4.19Å; Y377-Y433 HydrophobicContact CD1-CD2 4Å; Y377-Y433 HydrophobicContact CD2-CD2 4.19Å; Y377-Y433 HydrophobicContact CE1-CD2 4.07Å; Y377-Y433 HydrophobicContact CE2-CD2 4.24Å; Y377-Y433 HydrophobicContact CG-CD2 4.07Å; Y377-S434 WeakPolarHBondContact O-CA 3.46Å; Y377-S434 PolarHBondContact O-OG 3.07Å
378E85.4Confident88.6Confident65 Ų6518.2 Ų18.230%0.30410%0.101SC..BIsolated β-bridgetrans-107.887.1177.1-56.2-166.5-152.600110.1H373 A375 V376 Y437H373-E378 IonicContact CD2-OE2 2.69Å; H373-E378 PolarHBondContact CD2-OE2 3.1Å; H373-E378 VanDerWaalsContact CD2-OE2 3.26Å; H373-E378 IonicContact NE2-OE2 3.98Å; H373-E378 PolarHBondContact NE2-OE2 3.23Å; A375-E378 HydrophobicContact CB-CB 3.97Å; A375-E378 HydrophobicContact CB-CG 4.21Å; A375-E378 PolarHBondContact N-O 2.52Å; A375-E378 PolarHBondContact O-N 3.29Å; V376-E378 PolarHBondContact O-N 3.17Å; E378-Y437 HydrophobicContact CB-CD1 4.18Å; E378-Y437 HydrophobicContact CB-CD2 4.38Å; E378-Y437 HydrophobicContact CB-CE1 3.83Å; E378-Y437 HydrophobicContact CB-CE2 4.03Å; E378-Y437 HydrophobicContact CB-CG 4.43Å; E378-Y437 HydrophobicContact CG-CD1 4.4Å; E378-Y437 HydrophobicContact CG-CD2 3.75Å; E378-Y437 HydrophobicContact CG-CE1 4.26Å; E378-Y437 HydrophobicContact CG-CE2 3.56Å; E378-Y437 HydrophobicContact CG-CG 4.14Å; E378-Y437 WeakPolarHBondContact OE2-CE2 3.34Å; E378-Y437 PolarHBondContact OE2-OH 2.85Å
379T87.4Confident88.8Confident2 Ų220.1 Ų20.11%0.01211%0.109CC..  trans-84.6129.4-175.1-46.70000111.7I396 R397 S434 L472T379-I396 HydrophobicContact CG2-CG2 3.8Å; T379-R397 WeakPolarHBondContact CG2-O 3.36Å; T379-S434 PolarHBondContact OG1-OG 3.01Å; T379-L472 HydrophobicContact CG2-CD2 4.34Å
380P92.1Very high88.9Confident5 Ų526.5 Ų26.53%0.03214%0.137CC..  trans-58.3144.4174.7-18.223000113.2S371 H373 D374 R397S371-P380 WeakPolarHBondContact O-CB 3.33Å; H373-P380 WeakPolarHBondContact O-CD 3.49Å; H373-P380 WeakPolarHBondContact O-CG 3.26Å; D374-P380 HydrophobicContact CB-CG 4.35Å; P380-R397 HydrophobicContact CB-CB 4.09Å; P380-R397 HydrophobicContact CG-CB 4.45Å; P380-R397 VanDerWaalsContact O-CB 3.25Å; P380-R397 WeakPolarHBondContact O-CB 3.4Å; P380-R397 PolarHBondContact O-N 3.46Å
381F96.3Very high89.2Confident4 Ų429 Ų292%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-153.6160.1177.871.9-81000112Y369 S371 V383 I394 S395 I396 I438 K441 L442 I447Y369-F381 HydrophobicContact CD1-CD2 4.46Å; Y369-F381 AromaticContact CD1-CE2 3.86Å; Y369-F381 HydrophobicContact CD1-CE2 3.86Å; Y369-F381 HydrophobicContact CD1-CZ 4.19Å; Y369-F381 HydrophobicContact CE1-CD2 4.34Å; Y369-F381 HydrophobicContact CE1-CE1 4.09Å; Y369-F381 AromaticContact CE1-CE2 3.62Å; Y369-F381 HydrophobicContact CE1-CE2 3.62Å; Y369-F381 AromaticContact CE1-CZ 3.48Å; Y369-F381 HydrophobicContact CE1-CZ 3.48Å; Y369-F381 VanDerWaalsContact CE1-CZ 3.48Å; S371-F381 PolarHBondContact N-O 3.49Å; S371-F381 PolarHBondContact O-N 3.38Å; F381-V383 HydrophobicContact CD2-CG2 4.16Å; F381-V383 HydrophobicContact CE2-CG2 4.02Å; F381-I394 HydrophobicContact CD2-CG2 4.39Å; F381-S395 WeakPolarHBondContact CA-O 3.39Å; F381-I396 HydrophobicContact CB-CB 4.48Å; F381-I396 HydrophobicContact CB-CG1 4.27Å; F381-I438 HydrophobicContact CB-CD1 4.35Å; F381-I438 HydrophobicContact CD1-CD1 4.04Å; F381-I438 HydrophobicContact CD1-CG1 3.76Å; F381-I438 HydrophobicContact CD1-CG2 4.19Å; F381-I438 HydrophobicContact CD2-CG2 4.22Å; F381-I438 HydrophobicContact CE1-CB 4.43Å; F381-I438 HydrophobicContact CE1-CG1 3.97Å; F381-I438 HydrophobicContact CE1-CG2 4.12Å; F381-I438 HydrophobicContact CE2-CG2 4.14Å; F381-I438 HydrophobicContact CG-CD1 4.32Å; F381-I438 HydrophobicContact CG-CG1 4.39Å; F381-I438 HydrophobicContact CG-CG2 4.24Å; F381-I438 HydrophobicContact CZ-CG2 4.09Å; F381-K441 HydrophobicContact CE1-CB 4.35Å; F381-K441 HydrophobicContact CZ-CB 4.07Å; F381-L442 HydrophobicContact CE2-CD2 3.86Å; F381-L442 HydrophobicContact CE2-CG 4.37Å; F381-L442 HydrophobicContact CZ-CD2 4.45Å; F381-I447 HydrophobicContact CZ-CD1 4.34Å
382F96.6Very high89.6Confident1 Ų128.9 Ų28.90%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-128.6157.1169.177-92.5000111.7F298 A301 A302 I353 F357 Y369 T370 A384 S395F298-F382 HydrophobicContact CB-CZ 4.41Å; F298-F382 HydrophobicContact CD1-CE2 4.24Å; F298-F382 HydrophobicContact CD1-CZ 4.2Å; A301-F382 HydrophobicContact CB-CE1 4.15Å; A301-F382 HydrophobicContact CB-CZ 4.12Å; A302-F382 HydrophobicContact CB-CD1 4.15Å; A302-F382 HydrophobicContact CB-CE1 3.93Å; I353-F382 HydrophobicContact CD1-CB 4.43Å; I353-F382 HydrophobicContact CD1-CD1 4.05Å; I353-F382 HydrophobicContact CD1-CG 4.33Å; I353-F382 HydrophobicContact CG2-CD1 4.37Å; I353-F382 HydrophobicContact CG2-CD2 4.29Å; I353-F382 HydrophobicContact CG2-CE1 4.17Å; I353-F382 HydrophobicContact CG2-CE2 4.1Å; I353-F382 HydrophobicContact CG2-CG 4.43Å; I353-F382 HydrophobicContact CG2-CZ 4.04Å; F357-F382 HydrophobicContact CE2-CE2 4.32Å; F357-F382 HydrophobicContact CE2-CZ 4.22Å; F357-F382 HydrophobicContact CZ-CZ 4.22Å; Y369-F382 CarbonylContact O-C 3.38Å; Y369-F382 VanDerWaalsContact O-CA 3.27Å; Y369-F382 WeakPolarHBondContact O-CA 3.21Å; Y369-F382 WeakPolarHBondContact O-CB 3.28Å; T370-F382 HydrophobicContact CG2-CB 4.15Å; F382-A384 HydrophobicContact CD2-CB 4.18Å; F382-A384 HydrophobicContact CE2-CB 3.97Å; F382-S395 VanDerWaalsContact CE1-OG 3.31Å; F382-S395 WeakPolarHBondContact CE1-OG 3.25Å; F382-S395 VanDerWaalsContact CZ-CB 3.49Å; F382-S395 PolarHBondContact N-O 3.38Å; F382-S395 PolarHBondContact O-N 2.99Å
383V97.3Very high90.3Very high0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-121.8129.9174.5-1760000108.9V368 Y369 F381 V392 V393 I394 L442 I447 A451V368-V383 PolarHBondContact N-O 3.45Å; Y369-V383 PolarHBondContact N-O 3.48Å; Y369-V383 PolarHBondContact O-N 2.99Å; F381-V383 HydrophobicContact CD2-CG2 4.16Å; F381-V383 HydrophobicContact CE2-CG2 4.02Å; V383-V392 HydrophobicContact CG1-CG1 3.82Å; V383-V393 WeakPolarHBondContact CA-O 3.29Å; V383-I394 HydrophobicContact CG2-CG1 4.29Å; V383-L442 HydrophobicContact CG2-CD2 3.86Å; V383-I447 HydrophobicContact CB-CG2 4.07Å; V383-I447 HydrophobicContact CG1-CG2 4.42Å; V383-I447 HydrophobicContact CG2-CG2 3.78Å; V383-A451 HydrophobicContact CG1-CB 4.08Å
384A96.2Very high91.1Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-131.7153.1179.100000112.2F298 V365 H366 F382 V392 V393F298-A384 HydrophobicContact CE1-CB 4.41Å; V365-A384 HydrophobicContact CG1-CB 4.01Å; H366-A384 CarbonylContact O-C 3.29Å; H366-A384 VanDerWaalsContact O-CA 3.28Å; H366-A384 WeakPolarHBondContact O-CA 3.47Å; F382-A384 HydrophobicContact CD2-CB 4.18Å; F382-A384 HydrophobicContact CE2-CB 3.97Å; A384-V392 WeakPolarHBondContact O-CA 3.46Å; A384-V393 PolarHBondContact N-O 3.4Å; A384-V393 PolarHBondContact O-N 2.97Å
385V96.1Very high92.2Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-101.6124.1169.3-179.60000108.3V365 H366 V368 H387 V392 A451 T460 Y463V365-V385 CarbonylContact C-O 3.28Å; V365-V385 WeakPolarHBondContact CA-O 3.29Å; H366-V385 PolarHBondContact N-O 3.32Å; H366-V385 PolarHBondContact O-N 3Å; V368-V385 HydrophobicContact CG2-CG2 3.72Å; V385-H387 VanDerWaalsContact CG1-CE1 3.46Å; V385-H387 WeakPolarHBondContact CG1-CE1 3.47Å; V385-V392 HydrophobicContact CG2-CG2 4.39Å; V385-A451 HydrophobicContact CG2-CB 4.15Å; V385-A451 WeakPolarHBondContact CG2-O 3.29Å; V385-T460 HydrophobicContact CG1-CG2 3.97Å; V385-Y463 HydrophobicContact CG1-CD2 3.91Å; V385-Y463 HydrophobicContact CG1-CE2 3.65Å
386D95.6Very high93.4Very high0 Ų023.4 Ų23.40%011%0.114CC..EExtended strand (participates in β ladder)trans-105.5107.2171.7174.30.1000108.9Y294 F298 V365 A388 K389 K390 K391Y294-D386 WeakPolarHBondContact CE1-OD2 3.35Å; Y294-D386 PolarHBondContact OH-OD2 3.13Å; F298-D386 HydrophobicContact CZ-CB 4.41Å; V365-D386 HydrophobicContact CG2-CB 4.44Å; D386-A388 VanDerWaalsContact C-N 3.35Å; D386-A388 WeakPolarHBondContact OD1-CA 3.28Å; D386-A388 WeakPolarHBondContact OD1-CB 3.42Å; D386-A388 PolarHBondContact OD1-N 3.24Å; D386-K389 PolarHBondContact OD1-N 3.05Å; D386-K389 VanDerWaalsContact OD2-CB 3.23Å; D386-K389 WeakPolarHBondContact OD2-CB 3.46Å; D386-K389 VanDerWaalsContact OD2-CG 3.31Å; D386-K389 WeakPolarHBondContact OD2-CG 3.32Å; D386-K390 CarbonylContact O-C 3.57Å; D386-K390 VanDerWaalsContact O-CA 3.25Å; D386-K390 WeakPolarHBondContact O-CA 3.49Å; D386-K390 PolarHBondContact O-N 3.45Å; D386-K391 PolarHBondContact N-O 3.5Å; D386-K391 PolarHBondContact O-N 3.41Å
387H94.6Very high94.4Very high19 Ų1922.4 Ų22.49%0.08811%0.105CC..THydrogen-bonded Turntrans-75.2-22.3177.2-57.4-58.5000113.6Q364 H366 V385 D455 K458 Y463Q364-H387 HydrophobicContact CB-CB 4.41Å; Q364-H387 PolarHBondContact O-CD2 3.36Å; Q364-H387 PolarHBondContact O-N 2.7Å; H366-H387 AromaticContact CD2-CD2 3.32Å; H366-H387 PolarHBondContact CD2-CD2 3.46Å; H366-H387 AromaticContact CD2-NE2 3.21Å; H366-H387 PolarHBondContact CD2-NE2 2.82Å; H366-H387 AromaticContact NE2-CD2 3.6Å; H366-H387 AromaticContact NE2-NE2 3.63Å; V385-H387 VanDerWaalsContact CG1-CE1 3.46Å; V385-H387 WeakPolarHBondContact CG1-CE1 3.47Å; H387-D455 IonicContact CE1-OD2 3.65Å; H387-D455 PolarHBondContact CE1-OD2 3.09Å; H387-D455 IonicContact NE2-OD2 2.67Å; H387-K458 PolarHBondContact CD2-NZ 3.4Å; H387-K458 WeakPolarHBondContact CE1-CD 3.44Å; H387-K458 WeakPolarHBondContact ND1-CD 3.27Å; H387-K458 PolarHBondContact NE2-NZ 3.47Å; H387-Y463 AromaticContact ND1-CE2 3.55Å; H387-Y463 AromaticContact ND1-CZ 3.68Å; H387-Y463 PolarHBondContact ND1-OH 2.99Å
388A92.3Very high94.8Very high42 Ų4219 Ų1935%0.3479%0.092SC..THydrogen-bonded Turntrans-74.1-44.5-178.900000111Q364 D386Q364-A388 HydrophobicContact CB-CB 4.28Å; D386-A388 VanDerWaalsContact C-N 3.35Å; D386-A388 WeakPolarHBondContact OD1-CA 3.28Å; D386-A388 WeakPolarHBondContact OD1-CB 3.42Å; D386-A388 PolarHBondContact OD1-N 3.24Å
389K94.1Very high94.6Very high41 Ų4118 Ų1818%0.1789%0.09CC..THydrogen-bonded Turntrans-87.5-7.4171.8-67-69.6-167.41660114.3E291 Y294 D386 K391E291-K389 WeakPolarHBondContact OE1-CE 3.4Å; E291-K389 IonicContact OE1-NZ 2.69Å; E291-K389 PolarHBondContact OE1-NZ 3.06Å; Y294-K389 HydrophobicContact CD1-CG 4.31Å; Y294-K389 HydrophobicContact CE1-CG 3.85Å; D386-K389 PolarHBondContact OD1-N 3.05Å; D386-K389 VanDerWaalsContact OD2-CB 3.23Å; D386-K389 WeakPolarHBondContact OD2-CB 3.46Å; D386-K389 VanDerWaalsContact OD2-CG 3.31Å; D386-K389 WeakPolarHBondContact OD2-CG 3.32Å; K389-K391 HydrophobicContact CB-CG 3.95Å
390K95.6Very high94Very high134 Ų13422 Ų2258%0.58311%0.111SC*.THydrogen-bonded Turntrans53.854.1-171.8-60-178-177.3179.10111.9D386 Y463 G464D386-K390 CarbonylContact O-C 3.57Å; D386-K390 VanDerWaalsContact O-CA 3.25Å; D386-K390 WeakPolarHBondContact O-CA 3.49Å; D386-K390 PolarHBondContact O-N 3.45Å; K390-Y463 HydrophobicContact CB-CD1 3.75Å; K390-Y463 HydrophobicContact CB-CD2 4.38Å; K390-Y463 HydrophobicContact CB-CE1 3.83Å; K390-Y463 HydrophobicContact CB-CE2 4.41Å; K390-Y463 HydrophobicContact CB-CG 4.07Å; K390-Y463 HydrophobicContact CD-CE1 4.42Å; K390-Y463 HydrophobicContact CG-CD1 4.36Å; K390-Y463 HydrophobicContact CG-CE1 3.93Å; K390-Y463 VanDerWaalsContact O-CA 3.27Å; K390-Y463 WeakPolarHBondContact O-CA 3.46Å; K390-Y463 VanDerWaalsContact O-CB 3.25Å; K390-Y463 WeakPolarHBondContact O-CB 3.1Å; K390-G464 PolarHBondContact O-N 3.31Å; K390-G464 VanDerWaalsContact O-N 3.08Å
391K97.2Very high92.1Very high57 Ų5722.6 Ų22.625%0.24812%0.115CC..EExtended strand (participates in β ladder)trans-127.8150.9-179.7-60.4-61.3-172.6168.40112.5D386 K389 V393 G464 V466D386-K391 PolarHBondContact N-O 3.5Å; D386-K391 PolarHBondContact O-N 3.41Å; K389-K391 HydrophobicContact CB-CG 3.95Å; K391-V393 HydrophobicContact CB-CG2 4.24Å; K391-G464 CarbonylContact C-O 3.58Å; K391-G464 WeakPolarHBondContact CA-O 3.35Å; K391-G464 WeakPolarHBondContact CB-O 3.38Å; K391-G464 WeakPolarHBondContact CD-O 3.25Å; K391-V466 HydrophobicContact CB-CG2 4.1Å; K391-V466 HydrophobicContact CD-CG2 3.8Å; K391-V466 HydrophobicContact CG-CG2 3.81Å
392V97.9Very high89.8Confident0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-96129.2155.2175.70000106.8V383 A384 V385 L448 A451 F452 G464 L465 V466V383-V392 HydrophobicContact CG1-CG1 3.82Å; A384-V392 WeakPolarHBondContact O-CA 3.46Å; V385-V392 HydrophobicContact CG2-CG2 4.39Å; V392-L448 HydrophobicContact CG1-CD2 4.16Å; V392-A451 HydrophobicContact CG1-CB 3.77Å; V392-A451 HydrophobicContact CG2-CB 4.08Å; V392-F452 HydrophobicContact CB-CD1 4.46Å; V392-F452 HydrophobicContact CB-CE1 3.87Å; V392-F452 HydrophobicContact CB-CZ 4.06Å; V392-F452 HydrophobicContact CG2-CD1 3.5Å; V392-F452 VanDerWaalsContact CG2-CD1 3.5Å; V392-F452 HydrophobicContact CG2-CE1 3.36Å; V392-F452 HydrophobicContact CG2-CG 4.19Å; V392-F452 HydrophobicContact CG2-CZ 3.96Å; V392-G464 PolarHBondContact N-O 3.43Å; V392-L465 HydrophobicContact CB-CD1 4.31Å; V392-L465 HydrophobicContact CG1-CD1 4.2Å; V392-L465 CarbonylContact O-C 3.54Å; V392-V466 PolarHBondContact O-N 2.98Å
393V98.3Very high88Confident0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-115.7116.9-177.2-170.50000109.2Y295 F298 V383 A384 K391 V466 V468Y295-V393 HydrophobicContact CE1-CG2 4.16Å; F298-V393 HydrophobicContact CB-CG1 4.31Å; F298-V393 HydrophobicContact CD1-CB 3.98Å; F298-V393 HydrophobicContact CD1-CG1 3.69Å; F298-V393 HydrophobicContact CD1-CG2 4.28Å; F298-V393 HydrophobicContact CE1-CB 4Å; F298-V393 HydrophobicContact CE1-CG1 4.17Å; F298-V393 HydrophobicContact CE1-CG2 3.9Å; F298-V393 HydrophobicContact CG-CG1 4.05Å; F298-V393 HydrophobicContact CZ-CG2 4.22Å; V383-V393 WeakPolarHBondContact CA-O 3.29Å; A384-V393 PolarHBondContact N-O 3.4Å; A384-V393 PolarHBondContact O-N 2.97Å; K391-V393 HydrophobicContact CB-CG2 4.24Å; V393-V466 WeakPolarHBondContact CA-O 3.11Å; V393-V466 HydrophobicContact CG2-CB 4.43Å; V393-V468 HydrophobicContact CG1-CG1 4.11Å; V393-V468 HydrophobicContact CG1-CG2 4.2Å
394I98.5Very high86.5Confident0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-87.4127.2163.7-57.8162.6000106.9F381 V383 I396 L442 L448 L465 V466 I467 V468 L480 L484F381-I394 HydrophobicContact CD2-CG2 4.39Å; V383-I394 HydrophobicContact CG2-CG1 4.29Å; I394-I396 HydrophobicContact CG2-CG1 4.17Å; I394-L442 HydrophobicContact CD1-CD1 3.68Å; I394-L442 HydrophobicContact CG1-CD1 4.43Å; I394-L448 HydrophobicContact CD1-CD2 4.19Å; I394-L448 HydrophobicContact CG1-CD2 4.29Å; I394-L465 HydrophobicContact CD1-CD1 3.96Å; I394-L465 HydrophobicContact CD1-CD2 4.47Å; I394-L465 HydrophobicContact CG1-CD1 4.18Å; I394-V466 PolarHBondContact N-O 2.73Å; I394-I467 HydrophobicContact CB-CG2 4.2Å; I394-I467 HydrophobicContact CD1-CD1 4.01Å; I394-I467 HydrophobicContact CD1-CG1 4.15Å; I394-I467 HydrophobicContact CG2-CG2 4.34Å; I394-I467 CarbonylContact O-C 3.54Å; I394-I467 WeakPolarHBondContact O-CA 3.08Å; I394-V468 PolarHBondContact O-N 2.76Å; I394-L480 HydrophobicContact CD1-CD2 4.36Å; I394-L480 HydrophobicContact CG2-CD2 4.25Å; I394-L484 HydrophobicContact CD1-CD1 3.9Å
395S98.1Very high84.8Confident0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-128.6112.6-177.8-174.40000111.1F298 F381 F382 V468F298-S395 VanDerWaalsContact C-OG 3.24Å; F298-S395 PolarHBondContact O-OG 3.03Å; F381-S395 WeakPolarHBondContact CA-O 3.39Å; F382-S395 VanDerWaalsContact CE1-OG 3.31Å; F382-S395 WeakPolarHBondContact CE1-OG 3.25Å; F382-S395 VanDerWaalsContact CZ-CB 3.49Å; F382-S395 PolarHBondContact N-O 3.38Å; F382-S395 PolarHBondContact O-N 2.99Å; S395-V468 WeakPolarHBondContact CA-O 3.18Å; S395-V468 VanDerWaalsContact OG-CG2 3.29Å; S395-V468 WeakPolarHBondContact OG-CG2 3.47Å
396I97.8Very high82.9Confident0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-99.9133.9-171.4-49.4178.4000109.8T379 F381 I394 I438 I467 V468 T476 A477 L480T379-I396 HydrophobicContact CG2-CG2 3.8Å; F381-I396 HydrophobicContact CB-CB 4.48Å; F381-I396 HydrophobicContact CB-CG1 4.27Å; I394-I396 HydrophobicContact CG2-CG1 4.17Å; I396-I438 HydrophobicContact CD1-CD1 3.81Å; I396-I438 HydrophobicContact CG1-CD1 4.07Å; I396-I438 HydrophobicContact CG2-CD1 3.79Å; I396-I467 HydrophobicContact CD1-CG2 4.31Å; I396-V468 PolarHBondContact N-O 2.97Å; I396-T476 HydrophobicContact CD1-CG2 3.98Å; I396-T476 HydrophobicContact CG2-CG2 4.34Å; I396-A477 HydrophobicContact CD1-CB 4.01Å; I396-L480 HydrophobicContact CD1-CD2 3.93Å
397R95Very high81.2Confident30 Ų3027.9 Ų27.911%0.11315%0.147CC..  trans-68.2145.1177.8-157.9-175.190.1-174.5-3.9110.2A302 D374 T379 P380 L400 D404 G473A302-R397 HydrophobicContact CB-CB 4.33Å; A302-R397 WeakPolarHBondContact O-CG 3.4Å; D374-R397 IonicContact OD2-CZ 3.74Å; D374-R397 VanDerWaalsContact OD2-CZ 3.31Å; D374-R397 IonicContact OD2-NH1 2.62Å; D374-R397 PolarHBondContact OD2-NH1 3.28Å; D374-R397 IonicContact OD2-NH2 3.75Å; D374-R397 PolarHBondContact OD2-NH2 3.35Å; T379-R397 WeakPolarHBondContact CG2-O 3.36Å; P380-R397 HydrophobicContact CB-CB 4.09Å; P380-R397 HydrophobicContact CG-CB 4.45Å; P380-R397 VanDerWaalsContact O-CB 3.25Å; P380-R397 WeakPolarHBondContact O-CB 3.4Å; P380-R397 PolarHBondContact O-N 3.46Å; R397-L400 HydrophobicContact CG-CD1 4.44Å; R397-D404 IonicContact CZ-OD2 2.82Å; R397-D404 IonicContact NE-OD2 2.78Å; R397-D404 IonicContact NH2-OD1 3.64Å; R397-D404 PolarHBondContact NH2-OD1 3.39Å; R397-D404 IonicContact NH2-OD2 2.82Å; R397-D404 PolarHBondContact NH2-OD2 2.79Å; R397-G473 VanDerWaalsContact O-CA 3.27Å; R397-G473 WeakPolarHBondContact O-CA 3.44Å; R397-G473 PolarHBondContact O-N 3.41Å
398G89.4Confident79.9Confident0 Ų029 Ų290%015%0.153CC..  trans-94.2-173.1164.300000112.4Y303 L400 H470Y303-G398 VanDerWaalsContact OH-CA 3.27Å; Y303-G398 WeakPolarHBondContact OH-CA 3.35Å; G398-L400 PolarHBondContact O-N 3.44Å; G398-H470 WeakPolarHBondContact CA-O 3.2Å
399T81.3Confident78.6Confident42 Ų4230 Ų3026%0.25815%0.153SC..SBendtrans-56.8120.5-174.7-33.80000112.7D404 A405 D408T399-D404 WeakPolarHBondContact CA-OD2 3.33Å; T399-D404 HydrophobicContact CG2-CB 3.64Å; T399-A405 HydrophobicContact CG2-CB 4.15Å; T399-D408 WeakPolarHBondContact CB-OD2 3.38Å; T399-D408 WeakPolarHBondContact CG2-OD2 3.39Å; T399-D408 PolarHBondContact OG1-OD2 3.3Å
400L73.6Confident77.2Confident88 Ų8829 Ų2946%0.46115%0.15SC..  trans-141.7-22174.2-90.4-177.5000113Y303 R397 G398 D404Y303-L400 HydrophobicContact CD1-CD1 3.58Å; Y303-L400 HydrophobicContact CD1-CD2 3.83Å; Y303-L400 HydrophobicContact CD1-CG 3.49Å; Y303-L400 VanDerWaalsContact CD1-CG 3.49Å; Y303-L400 HydrophobicContact CE1-CD1 4.33Å; Y303-L400 HydrophobicContact CE1-CD2 4.2Å; Y303-L400 HydrophobicContact CE1-CG 3.79Å; Y303-L400 HydrophobicContact CG-CD1 4.14Å; Y303-L400 HydrophobicContact CG-CG 4.48Å; R397-L400 HydrophobicContact CG-CD1 4.44Å; G398-L400 PolarHBondContact O-N 3.44Å; L400-D404 PolarHBondContact N-OD2 2.92Å
401S53.3Low75.6Confident16 Ų1623.7 Ų23.711%0.11213%0.133CC..SBendtrans-113.6160.8178.888.90000112.5D374 K403 D404 A405D374-S401 WeakPolarHBondContact OD1-CB 3.47Å; D374-S401 PolarHBondContact OD1-OG 3.46Å; D374-S401 WeakPolarHBondContact OD2-CB 3.39Å; D374-S401 PolarHBondContact OD2-OG 2.96Å; S401-K403 PolarHBondContact O-N 3.03Å; S401-K403 WeakPolarHBondContact OG-CB 3.47Å; S401-K403 PolarHBondContact OG-N 3.27Å; S401-K403 VanDerWaalsContact OG-N 3.13Å; S401-D404 PolarHBondContact N-OD2 2.85Å; S401-D404 WeakPolarHBondContact O-CB 3.44Å; S401-D404 PolarHBondContact O-N 2.91Å; S401-D404 PolarHBondContact OG-N 3.3Å; S401-A405 PolarHBondContact O-N 3.46Å; S401-A405 VanDerWaalsContact O-N 3.13Å
402P46.8Very low74.6Confident29 Ų2925.1 Ų25.119%0.18814%0.144CC..Hα-helixtrans-62.9-18170.1-23.234.9000114.1Q211 A214 Y215 L406Q211-P402 VanDerWaalsContact OE1-CG 3.27Å; A214-P402 HydrophobicContact CB-CB 4.27Å; Y215-P402 HydrophobicContact CE1-CB 4.28Å; Y215-P402 HydrophobicContact CE1-CG 4.17Å; Y215-P402 HydrophobicContact CE2-CG 4.41Å; Y215-P402 WeakPolarHBondContact OH-CG 3.22Å; P402-L406 PolarHBondContact O-N 3.27Å
403K60.1Low74Confident42 Ų4227.5 Ų27.518%0.18316%0.16CC..Hα-helixtrans-78.8-40.6176-61.3160.2155-172.90111.4D374 V376 S401 A405 L406 T407D374-K403 VanDerWaalsContact O-CD 3.29Å; D374-K403 WeakPolarHBondContact O-CD 3.48Å; D374-K403 WeakPolarHBondContact O-CE 3.45Å; D374-K403 PolarHBondContact O-NZ 2.91Å; D374-K403 VanDerWaalsContact OD1-CD 3.29Å; D374-K403 WeakPolarHBondContact OD1-CD 3.39Å; V376-K403 HydrophobicContact CG2-CB 4.31Å; V376-K403 HydrophobicContact CG2-CG 4.47Å; S401-K403 PolarHBondContact O-N 3.03Å; S401-K403 WeakPolarHBondContact OG-CB 3.47Å; S401-K403 PolarHBondContact OG-N 3.27Å; S401-K403 VanDerWaalsContact OG-N 3.13Å; K403-A405 VanDerWaalsContact C-N 3.29Å; K403-A405 PolarHBondContact O-N 3.03Å; K403-L406 PolarHBondContact O-N 2.91Å; K403-T407 PolarHBondContact O-N 3.16Å; K403-T407 VanDerWaalsContact O-N 3.1Å; K403-T407 PolarHBondContact O-OG1 3.43Å
404D64.4Low73.5Confident1 Ų130.2 Ų30.21%0.00517%0.173CC..Hα-helixtrans-57-47.8167.7-59.5-36000109.9R397 T399 L400 S401 L406 T407 D408 L472R397-D404 IonicContact CZ-OD2 2.82Å; R397-D404 IonicContact NE-OD2 2.78Å; R397-D404 IonicContact NH2-OD1 3.64Å; R397-D404 PolarHBondContact NH2-OD1 3.39Å; R397-D404 IonicContact NH2-OD2 2.82Å; R397-D404 PolarHBondContact NH2-OD2 2.79Å; T399-D404 WeakPolarHBondContact CA-OD2 3.33Å; T399-D404 HydrophobicContact CG2-CB 3.64Å; L400-D404 PolarHBondContact N-OD2 2.92Å; S401-D404 PolarHBondContact N-OD2 2.85Å; S401-D404 WeakPolarHBondContact O-CB 3.44Å; S401-D404 PolarHBondContact O-N 2.91Å; S401-D404 PolarHBondContact OG-N 3.3Å; D404-L406 PolarHBondContact O-N 3.06Å; D404-T407 CarbonylContact O-C 3.57Å; D404-T407 WeakPolarHBondContact O-CA 3.48Å; D404-T407 VanDerWaalsContact O-CB 3.26Å; D404-T407 WeakPolarHBondContact O-CB 3.22Å; D404-T407 PolarHBondContact O-N 2.68Å; D404-D408 PolarHBondContact O-N 2.94Å; D404-L472 HydrophobicContact CB-CD2 3.62Å
405A61.5Low73.1Confident30 Ų3037.9 Ų37.925%0.24820%0.202CC..Hα-helixtrans-64.1-25.9-178.300000113.3T399 S401 K403 L409T399-A405 HydrophobicContact CG2-CB 4.15Å; S401-A405 PolarHBondContact O-N 3.46Å; S401-A405 VanDerWaalsContact O-N 3.13Å; K403-A405 VanDerWaalsContact C-N 3.29Å; K403-A405 PolarHBondContact O-N 3.03Å; A405-L409 WeakPolarHBondContact O-CB 3.5Å; A405-L409 WeakPolarHBondContact O-CD1 3.19Å; A405-L409 WeakPolarHBondContact O-CG 3.43Å; A405-L409 PolarHBondContact O-N 3.28Å
406L56.2Low72.8Confident13 Ų1338.6 Ų38.67%0.06821%0.206CC..Hα-helixtrans-73.6-39.8169.5179.357.1000111.7A214 E217 V376 P402 K403 D404 D408 L409 T410A214-L406 HydrophobicContact CB-CD2 4.37Å; E217-L406 HydrophobicContact CB-CD1 3.73Å; E217-L406 WeakPolarHBondContact OE2-CD1 3.48Å; E217-L406 WeakPolarHBondContact OE2-CD2 3.4Å; V376-L406 HydrophobicContact CG1-CD2 4.08Å; V376-L406 HydrophobicContact CG1-CG 4.28Å; V376-L406 HydrophobicContact CG2-CD2 4.01Å; P402-L406 PolarHBondContact O-N 3.27Å; K403-L406 PolarHBondContact O-N 2.91Å; D404-L406 PolarHBondContact O-N 3.06Å; L406-D408 VanDerWaalsContact C-N 3.32Å; L406-D408 PolarHBondContact O-N 2.89Å; L406-L409 PolarHBondContact O-N 3.44Å; L406-L409 VanDerWaalsContact O-N 3.1Å; L406-T410 PolarHBondContact O-N 3.28Å; L406-T410 PolarHBondContact O-OG1 2.91Å
407T59.8Low72.2Confident1 Ų141.3 Ų41.31%0.00622%0.224CC..Hα-helixtrans-62-39.8174.3-53.50000111.3Y377 K403 D404 L409 T410 H428 G430 L472Y377-T407 HydrophobicContact CD1-CG2 3.96Å; Y377-T407 HydrophobicContact CE1-CG2 4.49Å; Y377-T407 PolarHBondContact N-OG1 2.9Å; K403-T407 PolarHBondContact O-N 3.16Å; K403-T407 VanDerWaalsContact O-N 3.1Å; K403-T407 PolarHBondContact O-OG1 3.43Å; D404-T407 CarbonylContact O-C 3.57Å; D404-T407 WeakPolarHBondContact O-CA 3.48Å; D404-T407 VanDerWaalsContact O-CB 3.26Å; D404-T407 WeakPolarHBondContact O-CB 3.22Å; D404-T407 PolarHBondContact O-N 2.68Å; T407-L409 VanDerWaalsContact C-N 3.29Å; T407-L409 PolarHBondContact O-N 2.94Å; T407-T410 PolarHBondContact O-N 3.27Å; T407-H428 PolarHBondContact O-CE1 3.12Å; T407-G430 WeakPolarHBondContact CG2-O 3.13Å; T407-L472 HydrophobicContact CG2-CD1 3.88Å
408D67.7Low71.5Confident42 Ų4241 Ų4123%0.22523%0.225CC..Hα-helixtrans-63.5-29.6172-76.6-41.6000113.8T399 D404 L406 H428 M431 L472T399-D408 WeakPolarHBondContact CB-OD2 3.38Å; T399-D408 WeakPolarHBondContact CG2-OD2 3.39Å; T399-D408 PolarHBondContact OG1-OD2 3.3Å; D404-D408 PolarHBondContact O-N 2.94Å; L406-D408 VanDerWaalsContact C-N 3.32Å; L406-D408 PolarHBondContact O-N 2.89Å; D408-H428 PolarHBondContact O-CE1 3.39Å; D408-M431 WeakPolarHBondContact OD1-CE 3.35Å; D408-L472 WeakPolarHBondContact OD1-CB 3.31Å
409L63.7Low70.6Confident64 Ų6449.2 Ų49.234%0.33526%0.263SS..THydrogen-bonded Turntrans-93.20.6-176.9-75.2172.3000113.8V218 L221 A405 L406 T407 G411V218-L409 HydrophobicContact CB-CD1 4.32Å; V218-L409 HydrophobicContact CG1-CD1 4.24Å; V218-L409 HydrophobicContact CG2-CD1 3.8Å; L221-L409 HydrophobicContact CD1-CB 3.7Å; L221-L409 HydrophobicContact CD1-CD1 4.38Å; L221-L409 HydrophobicContact CD1-CG 4.48Å; A405-L409 WeakPolarHBondContact O-CB 3.5Å; A405-L409 WeakPolarHBondContact O-CD1 3.19Å; A405-L409 WeakPolarHBondContact O-CG 3.43Å; A405-L409 PolarHBondContact O-N 3.28Å; L406-L409 PolarHBondContact O-N 3.44Å; L406-L409 VanDerWaalsContact O-N 3.1Å; T407-L409 VanDerWaalsContact C-N 3.29Å; T407-L409 PolarHBondContact O-N 2.94Å; L409-G411 PolarHBondContact O-N 3.39Å
410T65.9Low69.7Low19 Ų1951 Ų5112%0.11729%0.29CS..  trans-78.267.6177.7-53.40000110.7Y377 L406 T407 D412 H428 K429Y377-T410 HydrophobicContact CE1-CG2 4.19Å; L406-T410 PolarHBondContact O-N 3.28Å; L406-T410 PolarHBondContact O-OG1 2.91Å; T407-T410 PolarHBondContact O-N 3.27Å; T410-D412 PolarHBondContact O-N 3.45Å; T410-H428 PolarHBondContact O-CE1 2.9Å; T410-H428 PolarHBondContact O-NE2 3.46Å; T410-K429 HydrophobicContact CG2-CB 4.16Å; T410-K429 HydrophobicContact CG2-CD 4.02Å; T410-K429 HydrophobicContact CG2-CG 4.1Å
411G62Low69.2Low23 Ų2350.8 Ų50.824%0.23729%0.286CS..  trans-67.5-0.2-166.100000117.8L409 L530L409-G411 PolarHBondContact O-N 3.39Å; G411-L530 WeakPolarHBondContact O-CD1 3.42Å
412D74.4Confident69.1Low87 Ų8759 Ų5947%0.46532%0.323SS..  trans-61.8152.3171.3-74.5-22.9000111.6T410 K429T410-D412 PolarHBondContact O-N 3.45Å; D412-K429 HydrophobicContact CB-CB 3.95Å; D412-K429 HydrophobicContact CB-CD 3.45Å; D412-K429 VanDerWaalsContact CB-CD 3.45Å; D412-K429 HydrophobicContact CB-CG 4.41Å; D412-K429 VanDerWaalsContact O-CB 3.23Å; D412-K429 WeakPolarHBondContact O-CB 3.4Å; D412-K429 PolarHBondContact O-N 3.05Å; D412-K429 WeakPolarHBondContact OD2-CD 3.38Å; D412-K429 IonicContact OD2-NZ 3.51Å; D412-K429 PolarHBondContact OD2-NZ 2.91Å
413S85.3Confident69.5Low50 Ų5059 Ų5935%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-94.1130.316663.30000111.3G427S413-G427 CarbonylContact C-O 3.49Å; S413-G427 WeakPolarHBondContact CA-O 3.45Å
414E89.2Confident70.4Confident58 Ų5861 Ų6127%0.27134%0.343SS..EExtended strand (participates in β ladder)trans-112.3157.6173.4-174.757.6-83.800110.7L426 G427 K429 V432 Y433E414-L426 CarbonylContact O-C 3.49Å; E414-L426 VanDerWaalsContact O-CA 3.25Å; E414-L426 WeakPolarHBondContact O-CA 3.43Å; E414-G427 PolarHBondContact N-O 2.86Å; E414-G427 PolarHBondContact O-N 3.34Å; E414-K429 HydrophobicContact CB-CB 3.86Å; E414-K429 HydrophobicContact CB-CG 4.01Å; E414-V432 HydrophobicContact CB-CB 4.28Å; E414-V432 HydrophobicContact CB-CG1 4.47Å; E414-V432 HydrophobicContact CB-CG2 4.17Å; E414-V432 HydrophobicContact CG-CB 4.35Å; E414-V432 HydrophobicContact CG-CG1 4.06Å; E414-Y433 HydrophobicContact CG-CE1 3.78Å; E414-Y433 PolarHBondContact OE2-OH 3.01Å
415R90.6Very high71.7Confident160 Ų16062.1 Ų62.160%0.60435%0.348SS*.EExtended strand (participates in β ladder)trans-73.4141.7176.8-66-178.8176.3-144.8-7111.5P417 L426R415-P417 WeakPolarHBondContact O-CD 3.3Å; R415-L426 HydrophobicContact CG-CD2 3.88Å
416L90.3Very high73.1Confident15 Ų1562.1 Ų62.18%0.07934%0.343CS..  trans-73.6122.6172.3-60.5-168.4000110.5V418 W425 V432 I479 F482 L503 A507L416-V418 HydrophobicContact CB-CG2 4.13Å; L416-V418 PolarHBondContact O-N 3.44Å; L416-W425 HydrophobicContact CB-CB 4.25Å; L416-W425 HydrophobicContact CD1-CB 3.96Å; L416-W425 HydrophobicContact CD1-CE3 4.47Å; L416-W425 HydrophobicContact CG-CB 4.09Å; L416-W425 PolarHBondContact N-O 3.12Å; L416-V432 HydrophobicContact CD2-CG2 3.86Å; L416-I479 HydrophobicContact CD2-CG1 4.4Å; L416-I479 HydrophobicContact CD2-CG2 3.95Å; L416-F482 HydrophobicContact CD1-CD1 3.7Å; L416-F482 HydrophobicContact CD1-CD2 4.29Å; L416-F482 HydrophobicContact CD1-CE1 3.77Å; L416-F482 HydrophobicContact CD1-CE2 4.39Å; L416-F482 HydrophobicContact CD1-CG 3.97Å; L416-F482 HydrophobicContact CD1-CZ 4.13Å; L416-L503 HydrophobicContact CD1-CD2 4.33Å; L416-A507 HydrophobicContact CD1-CB 4.33Å
417P84.8Confident74.9Confident58 Ų5861.5 Ų61.538%0.37734%0.34SS..  trans-80.263.5-178.632.7-36.1000111.8R415 V432 E436 L483R415-P417 WeakPolarHBondContact O-CD 3.3Å; P417-V432 HydrophobicContact CG-CG1 4.48Å; P417-E436 HydrophobicContact CG-CG 3.7Å; P417-L483 HydrophobicContact CG-CD1 4.23Å; P417-L483 HydrophobicContact CG-CD2 3.79Å
418V82.2Confident76.4Confident22 Ų2262.2 Ų62.213%0.13334%0.343CS..  trans-100120.7179.2-1780000110.1L416 G420 Q421 F482 L483L416-V418 HydrophobicContact CB-CG2 4.13Å; L416-V418 PolarHBondContact O-N 3.44Å; V418-G420 PolarHBondContact O-N 2.98Å; V418-Q421 HydrophobicContact CB-CB 4.22Å; V418-Q421 HydrophobicContact CB-CG 4.25Å; V418-Q421 HydrophobicContact CG1-CB 4.27Å; V418-Q421 HydrophobicContact CG1-CG 3.82Å; V418-Q421 PolarHBondContact O-N 3.45Å; V418-F482 HydrophobicContact CG2-CB 3.97Å; V418-L483 HydrophobicContact CG2-CD2 3.99Å
419E68.6Low77.3Confident174 Ų17462.6 Ų62.681%0.81334%0.343SS*.THydrogen-bonded Turntrans-59.5135.7178.1-64.9179.3-177.600111.7Q421E419-Q421 VanDerWaalsContact C-N 3.27Å; E419-Q421 PolarHBondContact O-N 3.48Å
420G63.1Low78.5Confident78 Ų7859.5 Ų59.580%0.80433%0.327SS*.THydrogen-bonded Turntrans79.2-9.8179.500000116.4V418V418-G420 PolarHBondContact O-N 2.98Å
421Q63.2Low79.8Confident85 Ų8558.7 Ų58.740%0.39732%0.322SS..  trans-93.4114.3176-74.5-84.7-8.300110.7V418 E419 G423 W425V418-Q421 HydrophobicContact CB-CB 4.22Å; V418-Q421 HydrophobicContact CB-CG 4.25Å; V418-Q421 HydrophobicContact CG1-CB 4.27Å; V418-Q421 HydrophobicContact CG1-CG 3.82Å; V418-Q421 PolarHBondContact O-N 3.45Å; E419-Q421 VanDerWaalsContact C-N 3.27Å; E419-Q421 PolarHBondContact O-N 3.48Å; Q421-G423 VanDerWaalsContact C-N 3.25Å; Q421-G423 PolarHBondContact O-N 3.48Å; Q421-W425 HydrophobicContact CG-CE3 4.25Å; Q421-W425 HydrophobicContact CG-CH2 4.38Å; Q421-W425 HydrophobicContact CG-CZ3 3.95Å
422H51.1Low81.3Confident189 Ų18957.7 Ų57.788%0.87531%0.311SS*.  trans-78.861.8-176.8-78-75.2000114.4T424H422-T424 PolarHBondContact O-N 3.07Å
423G55.4Low82.2Confident29 Ų2956.8 Ų56.830%0.29930%0.302SS..SBendtrans74.717.6147.400000119.3Q421Q421-G423 VanDerWaalsContact C-N 3.25Å; Q421-G423 PolarHBondContact O-N 3.48Å
424T79.4Confident82.6Confident82 Ų8254.4 Ų54.450%0.50329%0.285SS..  trans-89.6-25.2173.653.30000113.9H422H422-T424 PolarHBondContact O-N 3.07Å
425W91.2Very high83Confident25 Ų2551.7 Ų51.710%0.09527%0.272CS..  trans-81127.6-176.7-68.4-8.8000112.4L416 Q421 F482 A507 Y510L416-W425 HydrophobicContact CB-CB 4.25Å; L416-W425 HydrophobicContact CD1-CB 3.96Å; L416-W425 HydrophobicContact CD1-CE3 4.47Å; L416-W425 HydrophobicContact CG-CB 4.09Å; L416-W425 PolarHBondContact N-O 3.12Å; Q421-W425 HydrophobicContact CG-CE3 4.25Å; Q421-W425 HydrophobicContact CG-CH2 4.38Å; Q421-W425 HydrophobicContact CG-CZ3 3.95Å; W425-F482 HydrophobicContact CD2-CE1 4.29Å; W425-F482 AromaticContact CE3-CD1 3.74Å; W425-F482 HydrophobicContact CE3-CD1 3.74Å; W425-F482 AromaticContact CE3-CE1 3.69Å; W425-F482 HydrophobicContact CE3-CE1 3.69Å; W425-F482 HydrophobicContact CH2-CE1 4.33Å; W425-F482 AromaticContact CZ3-CD1 3.65Å; W425-F482 HydrophobicContact CZ3-CD1 3.65Å; W425-F482 AromaticContact CZ3-CE1 3.72Å; W425-F482 HydrophobicContact CZ3-CE1 3.72Å; W425-A507 HydrophobicContact CB-CB 4.03Å; W425-A507 HydrophobicContact CD2-CB 4.24Å; W425-A507 HydrophobicContact CG-CB 3.82Å; W425-Y510 AromaticContact CH2-CD1 3.21Å; W425-Y510 HydrophobicContact CH2-CD1 3.21Å; W425-Y510 HydrophobicContact CH2-CD2 4Å; W425-Y510 AromaticContact CH2-CE1 3.45Å; W425-Y510 HydrophobicContact CH2-CE1 3.45Å; W425-Y510 VanDerWaalsContact CH2-CE1 3.45Å; W425-Y510 HydrophobicContact CH2-CE2 4.2Å; W425-Y510 AromaticContact CH2-CG 3.5Å; W425-Y510 HydrophobicContact CH2-CG 3.5Å; W425-Y510 VanDerWaalsContact CH2-CG 3.5Å; W425-Y510 AromaticContact CH2-CZ 3.93Å; W425-Y510 AromaticContact CZ2-CD1 3.85Å; W425-Y510 HydrophobicContact CZ2-CD1 3.85Å; W425-Y510 HydrophobicContact CZ2-CD2 4.27Å; W425-Y510 HydrophobicContact CZ2-CE1 4.46Å; W425-Y510 AromaticContact CZ2-CG 3.72Å; W425-Y510 HydrophobicContact CZ2-CG 3.72Å; W425-Y510 AromaticContact CZ3-CD1 3.76Å; W425-Y510 HydrophobicContact CZ3-CD1 3.76Å; W425-Y510 AromaticContact CZ3-CE1 3.82Å; W425-Y510 HydrophobicContact CZ3-CE1 3.82Å; W425-Y510 HydrophobicContact CZ3-CG 4.45Å
426L92Very high83.2Confident30 Ų3047.9 Ų47.916%0.15726%0.261CS..EExtended strand (participates in β ladder)trans-118.7146.4178.7-54.5176.7000110.5E414 R415 L503 S504 T601 L603E414-L426 CarbonylContact O-C 3.49Å; E414-L426 VanDerWaalsContact O-CA 3.25Å; E414-L426 WeakPolarHBondContact O-CA 3.43Å; R415-L426 HydrophobicContact CG-CD2 3.88Å; L426-L503 WeakPolarHBondContact O-CA 3Å; L426-S504 PolarHBondContact N-OG 3.02Å; L426-S504 PolarHBondContact O-N 3.35Å; L426-T601 HydrophobicContact CD1-CG2 4.4Å; L426-L603 HydrophobicContact CB-CD2 4.4Å
427G92.4Very high83.4Confident0 Ų048.9 Ų48.90%026%0.264CS..EExtended strand (participates in β ladder)trans-129.8163.3172.200000112.1S413 E414 K429 L502S413-G427 CarbonylContact C-O 3.49Å; S413-G427 WeakPolarHBondContact CA-O 3.45Å; E414-G427 PolarHBondContact N-O 2.86Å; E414-G427 PolarHBondContact O-N 3.34Å; G427-K429 PolarHBondContact O-N 3.29Å; G427-L502 CarbonylContact C-O 3.53Å; G427-L502 WeakPolarHBondContact CA-O 3.36Å
428H91.1Very high83.9Confident16 Ų1646.1 Ų46.17%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-60.4117.9172.1-172.6-101.1000110.6T407 D408 T410 G430 M431 V432 L502T407-H428 PolarHBondContact O-CE1 3.12Å; D408-H428 PolarHBondContact O-CE1 3.39Å; T410-H428 PolarHBondContact O-CE1 2.9Å; T410-H428 PolarHBondContact O-NE2 3.46Å; H428-G430 VanDerWaalsContact C-N 3.34Å; H428-G430 PolarHBondContact O-N 3.14Å; H428-M431 HydrophobicContact CB-CB 4.47Å; H428-M431 HydrophobicContact CB-SD 3.95Å; H428-M431 WeakPolarHBondContact ND1-CE 3.42Å; H428-M431 WeakPolarHBondContact O-CA 3.16Å; H428-M431 PolarHBondContact O-N 2.95Å; H428-V432 PolarHBondContact O-N 2.72Å; H428-L502 HydrophobicContact CB-CD1 4.12Å; H428-L502 PolarHBondContact N-O 2.95Å
429K88.6Confident84.6Confident50 Ų5047.1 Ų47.122%0.21725%0.249CC..Hα-helixtrans-50.7-47.5-166.4177.6175.4-179.1173.60114T410 D412 E414 G427 M431 V432 Y433T410-K429 HydrophobicContact CG2-CB 4.16Å; T410-K429 HydrophobicContact CG2-CD 4.02Å; T410-K429 HydrophobicContact CG2-CG 4.1Å; D412-K429 HydrophobicContact CB-CB 3.95Å; D412-K429 HydrophobicContact CB-CD 3.45Å; D412-K429 VanDerWaalsContact CB-CD 3.45Å; D412-K429 HydrophobicContact CB-CG 4.41Å; D412-K429 VanDerWaalsContact O-CB 3.23Å; D412-K429 WeakPolarHBondContact O-CB 3.4Å; D412-K429 PolarHBondContact O-N 3.05Å; D412-K429 WeakPolarHBondContact OD2-CD 3.38Å; D412-K429 IonicContact OD2-NZ 3.51Å; D412-K429 PolarHBondContact OD2-NZ 2.91Å; E414-K429 HydrophobicContact CB-CB 3.86Å; E414-K429 HydrophobicContact CB-CG 4.01Å; G427-K429 PolarHBondContact O-N 3.29Å; K429-M431 VanDerWaalsContact C-N 3.26Å; K429-M431 PolarHBondContact O-N 3.49Å; K429-V432 PolarHBondContact O-N 3.05Å; K429-Y433 HydrophobicContact CD-CE2 4.27Å; K429-Y433 VanDerWaalsContact CE-OH 3.25Å; K429-Y433 WeakPolarHBondContact CE-OH 3.03Å; K429-Y433 HydrophobicContact CG-CD2 4.25Å; K429-Y433 HydrophobicContact CG-CE1 4.45Å; K429-Y433 HydrophobicContact CG-CE2 3.58Å; K429-Y433 PolarHBondContact O-N 3.2Å; K429-Y433 VanDerWaalsContact O-N 3.11Å
430G88Confident85.8Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-60.7-34.717900000113.8T407 H428 S434T407-G430 WeakPolarHBondContact CG2-O 3.13Å; H428-G430 VanDerWaalsContact C-N 3.34Å; H428-G430 PolarHBondContact O-N 3.14Å; G430-S434 PolarHBondContact O-N 3.41Å; G430-S434 VanDerWaalsContact O-N 3.13Å; G430-S434 PolarHBondContact O-OG 3.36Å
431M93.2Very high87.3Confident2 Ų241.9 Ų41.91%0.0120%0.201CC..Hα-helixtrans-85.5-22.5-179.7-67.1151.5-15800112.7D408 H428 K429 A435 L472 I479 P499 L502D408-M431 WeakPolarHBondContact OD1-CE 3.35Å; H428-M431 HydrophobicContact CB-CB 4.47Å; H428-M431 HydrophobicContact CB-SD 3.95Å; H428-M431 WeakPolarHBondContact ND1-CE 3.42Å; H428-M431 WeakPolarHBondContact O-CA 3.16Å; H428-M431 PolarHBondContact O-N 2.95Å; K429-M431 VanDerWaalsContact C-N 3.26Å; K429-M431 PolarHBondContact O-N 3.49Å; M431-A435 WeakPolarHBondContact O-CB 3.37Å; M431-A435 PolarHBondContact O-N 3.49Å; M431-L472 HydrophobicContact CE-CD1 3.64Å; M431-L472 HydrophobicContact CG-CD1 3.62Å; M431-L472 HydrophobicContact SD-CD1 4.4Å; M431-I479 HydrophobicContact CB-CD1 3.8Å; M431-P499 HydrophobicContact CE-CG 3.83Å; M431-P499 HydrophobicContact SD-CG 3.66Å; M431-L502 HydrophobicContact CB-CD1 4.26Å; M431-L502 HydrophobicContact CG-CD1 4.49Å; M431-L502 HydrophobicContact SD-CD1 3.5Å; M431-L502 VanDerWaalsContact SD-CD1 3.5Å
432V94.1Very high88.8Confident1 Ų138 Ų381%0.00618%0.183CC..Hα-helixtrans-64.2-54.7166.8177.10000109.6E414 L416 P417 H428 K429 S434 A435 E436 I479E414-V432 HydrophobicContact CB-CB 4.28Å; E414-V432 HydrophobicContact CB-CG1 4.47Å; E414-V432 HydrophobicContact CB-CG2 4.17Å; E414-V432 HydrophobicContact CG-CB 4.35Å; E414-V432 HydrophobicContact CG-CG1 4.06Å; L416-V432 HydrophobicContact CD2-CG2 3.86Å; P417-V432 HydrophobicContact CG-CG1 4.48Å; H428-V432 PolarHBondContact O-N 2.72Å; K429-V432 PolarHBondContact O-N 3.05Å; V432-S434 VanDerWaalsContact C-N 3.31Å; V432-S434 PolarHBondContact O-N 3.48Å; V432-A435 WeakPolarHBondContact O-CB 3.13Å; V432-A435 PolarHBondContact O-N 3.29Å; V432-E436 PolarHBondContact O-N 2.96Å; V432-I479 HydrophobicContact CG2-CD1 3.97Å; V432-I479 HydrophobicContact CG2-CG2 4.46Å
433Y92.9Very high90.8Very high69 Ų6932.3 Ų32.327%0.27116%0.157SC..Hα-helixtrans-61.7-38.2179.6-59.5-20.3000112Y377 E414 K429 A435 E436 Y437Y377-Y433 HydrophobicContact CD1-CD2 4Å; Y377-Y433 HydrophobicContact CD2-CD2 4.19Å; Y377-Y433 HydrophobicContact CE1-CD2 4.07Å; Y377-Y433 HydrophobicContact CE2-CD2 4.24Å; Y377-Y433 HydrophobicContact CG-CD2 4.07Å; E414-Y433 HydrophobicContact CG-CE1 3.78Å; E414-Y433 PolarHBondContact OE2-OH 3.01Å; K429-Y433 HydrophobicContact CD-CE2 4.27Å; K429-Y433 VanDerWaalsContact CE-OH 3.25Å; K429-Y433 WeakPolarHBondContact CE-OH 3.03Å; K429-Y433 HydrophobicContact CG-CD2 4.25Å; K429-Y433 HydrophobicContact CG-CE1 4.45Å; K429-Y433 HydrophobicContact CG-CE2 3.58Å; K429-Y433 PolarHBondContact O-N 3.2Å; K429-Y433 VanDerWaalsContact O-N 3.11Å; Y433-A435 VanDerWaalsContact C-N 3.34Å; Y433-A435 PolarHBondContact O-N 2.9Å; Y433-E436 PolarHBondContact O-N 2.8Å; Y433-Y437 WeakPolarHBondContact O-CB 3.15Å; Y433-Y437 PolarHBondContact O-N 3.43Å
434S93.8Very high92.6Very high0 Ų037.7 Ų37.70%017%0.174CC..Hα-helixtrans-62.5-36.1171.6-64.80000114Y377 T379 G430 V432 I438Y377-S434 WeakPolarHBondContact O-CA 3.46Å; Y377-S434 PolarHBondContact O-OG 3.07Å; T379-S434 PolarHBondContact OG1-OG 3.01Å; G430-S434 PolarHBondContact O-N 3.41Å; G430-S434 VanDerWaalsContact O-N 3.13Å; G430-S434 PolarHBondContact O-OG 3.36Å; V432-S434 VanDerWaalsContact C-N 3.31Å; V432-S434 PolarHBondContact O-N 3.48Å; S434-I438 VanDerWaalsContact O-CG1 3.31Å; S434-I438 WeakPolarHBondContact O-CG1 3.39Å; S434-I438 PolarHBondContact O-N 3.07Å; S434-I438 VanDerWaalsContact O-N 3.12Å
435A96.4Very high93.2Very high0 Ų037 Ų370%017%0.165CC..Hα-helixtrans-73.1-38.3176.700000111.8M431 V432 Y433 I438 K439 T476 I479 L480 L483M431-A435 WeakPolarHBondContact O-CB 3.37Å; M431-A435 PolarHBondContact O-N 3.49Å; V432-A435 WeakPolarHBondContact O-CB 3.13Å; V432-A435 PolarHBondContact O-N 3.29Å; Y433-A435 VanDerWaalsContact C-N 3.34Å; Y433-A435 PolarHBondContact O-N 2.9Å; A435-I438 PolarHBondContact O-N 2.79Å; A435-K439 WeakPolarHBondContact O-CB 3.26Å; A435-K439 PolarHBondContact O-N 3.33Å; A435-T476 HydrophobicContact CB-CG2 4.21Å; A435-I479 HydrophobicContact CB-CB 3.99Å; A435-I479 HydrophobicContact CB-CG2 3.63Å; A435-L480 HydrophobicContact CB-CB 4.06Å; A435-L483 HydrophobicContact CB-CD1 4.05Å
436E95.2Very high93.3Very high80 Ų8041 Ų4137%0.37419%0.187SC..Hα-helixtrans-62.6-44.1172.6-70.9-174.410900111.9P417 V432 Y433 K439 K440 L483P417-E436 HydrophobicContact CG-CG 3.7Å; V432-E436 PolarHBondContact O-N 2.96Å; Y433-E436 PolarHBondContact O-N 2.8Å; E436-K439 PolarHBondContact O-N 3.16Å; E436-K440 VanDerWaalsContact O-CB 3.25Å; E436-K440 WeakPolarHBondContact O-CB 3.31Å; E436-K440 PolarHBondContact O-N 3.31Å; E436-L483 HydrophobicContact CG-CD1 4.28Å
437Y95.1Very high93.4Very high37 Ų3739.6 Ų39.615%0.14518%0.179CC..Hα-helixtrans-56.5-51.9174.8173.8-101.2000111.8E378 Y433 K440 K441E378-Y437 HydrophobicContact CB-CD1 4.18Å; E378-Y437 HydrophobicContact CB-CD2 4.38Å; E378-Y437 HydrophobicContact CB-CE1 3.83Å; E378-Y437 HydrophobicContact CB-CE2 4.03Å; E378-Y437 HydrophobicContact CB-CG 4.43Å; E378-Y437 HydrophobicContact CG-CD1 4.4Å; E378-Y437 HydrophobicContact CG-CD2 3.75Å; E378-Y437 HydrophobicContact CG-CE1 4.26Å; E378-Y437 HydrophobicContact CG-CE2 3.56Å; E378-Y437 HydrophobicContact CG-CG 4.14Å; E378-Y437 WeakPolarHBondContact OE2-CE2 3.34Å; E378-Y437 PolarHBondContact OE2-OH 2.85Å; Y433-Y437 WeakPolarHBondContact O-CB 3.15Å; Y433-Y437 PolarHBondContact O-N 3.43Å; Y437-K440 PolarHBondContact O-N 3.06Å; Y437-K441 HydrophobicContact CE1-CG 4.23Å; Y437-K441 HydrophobicContact CE2-CG 4.32Å; Y437-K441 PolarHBondContact O-N 3.37Å
438I96.1Very high93.5Very high0 Ų040.1 Ų40.10%018%0.182CC..Hα-helixtrans-65.4-42-179.5-65.3173.5000110.6F381 I396 S434 A435 K440 K441 L442 T476 L480F381-I438 HydrophobicContact CB-CD1 4.35Å; F381-I438 HydrophobicContact CD1-CD1 4.04Å; F381-I438 HydrophobicContact CD1-CG1 3.76Å; F381-I438 HydrophobicContact CD1-CG2 4.19Å; F381-I438 HydrophobicContact CD2-CG2 4.22Å; F381-I438 HydrophobicContact CE1-CB 4.43Å; F381-I438 HydrophobicContact CE1-CG1 3.97Å; F381-I438 HydrophobicContact CE1-CG2 4.12Å; F381-I438 HydrophobicContact CE2-CG2 4.14Å; F381-I438 HydrophobicContact CG-CD1 4.32Å; F381-I438 HydrophobicContact CG-CG1 4.39Å; F381-I438 HydrophobicContact CG-CG2 4.24Å; F381-I438 HydrophobicContact CZ-CG2 4.09Å; I396-I438 HydrophobicContact CD1-CD1 3.81Å; I396-I438 HydrophobicContact CG1-CD1 4.07Å; I396-I438 HydrophobicContact CG2-CD1 3.79Å; S434-I438 VanDerWaalsContact O-CG1 3.31Å; S434-I438 WeakPolarHBondContact O-CG1 3.39Å; S434-I438 PolarHBondContact O-N 3.07Å; S434-I438 VanDerWaalsContact O-N 3.12Å; A435-I438 PolarHBondContact O-N 2.79Å; I438-K440 PolarHBondContact O-N 2.83Å; I438-K441 PolarHBondContact O-N 2.73Å; I438-L442 HydrophobicContact CG2-CD1 3.86Å; I438-L442 HydrophobicContact CG2-CG 4.18Å; I438-L442 WeakPolarHBondContact O-CB 3.42Å; I438-L442 WeakPolarHBondContact O-CG 3.44Å; I438-L442 PolarHBondContact O-N 3Å; I438-T476 HydrophobicContact CD1-CG2 3.95Å; I438-L480 HydrophobicContact CB-CD2 4.32Å; I438-L480 HydrophobicContact CG2-CD1 4.44Å; I438-L480 HydrophobicContact CG2-CD2 3.63Å
439K95.9Very high93.6Very high42 Ų4242.3 Ų42.318%0.18320%0.199CC..Hα-helixtrans-56.8-50.8173.7175.8171.8-176.6-66.90111.3A435 E436 K441 L442 E443 L480 L483 L484A435-K439 WeakPolarHBondContact O-CB 3.26Å; A435-K439 PolarHBondContact O-N 3.33Å; E436-K439 PolarHBondContact O-N 3.16Å; K439-K441 VanDerWaalsContact C-N 3.33Å; K439-K441 PolarHBondContact O-N 2.75Å; K439-L442 PolarHBondContact O-N 3.15Å; K439-E443 VanDerWaalsContact CE-OE1 3.25Å; K439-E443 WeakPolarHBondContact CE-OE1 3.48Å; K439-E443 HydrophobicContact CG-CG 4.47Å; K439-E443 WeakPolarHBondContact CG-OE2 3.24Å; K439-E443 IonicContact NZ-OE1 3.42Å; K439-E443 PolarHBondContact NZ-OE1 2.9Å; K439-E443 IonicContact NZ-OE2 2.7Å; K439-E443 PolarHBondContact NZ-OE2 2.62Å; K439-E443 WeakPolarHBondContact O-CG 3.35Å; K439-E443 PolarHBondContact O-N 2.9Å; K439-L480 HydrophobicContact CB-CD1 3.87Å; K439-L483 HydrophobicContact CD-CB 3.78Å; K439-L483 HydrophobicContact CD-CD1 4.27Å; K439-L484 HydrophobicContact CD-CD2 4.47Å; K439-L484 HydrophobicContact CG-CD2 4.29Å
440K94.8Very high93.8Very high118 Ų11843.7 Ų43.751%0.51321%0.206SC..Hα-helixtrans-58.2-43.5179.1179.5-177173.4-169.90111.6E436 Y437 I438 E443 Q444E436-K440 VanDerWaalsContact O-CB 3.25Å; E436-K440 WeakPolarHBondContact O-CB 3.31Å; E436-K440 PolarHBondContact O-N 3.31Å; Y437-K440 PolarHBondContact O-N 3.06Å; I438-K440 PolarHBondContact O-N 2.83Å; K440-E443 PolarHBondContact O-N 3.47Å; K440-Q444 VanDerWaalsContact CE-OE1 3.23Å; K440-Q444 HydrophobicContact CG-CG 4.18Å; K440-Q444 VanDerWaalsContact O-CB 3.26Å; K440-Q444 WeakPolarHBondContact O-CB 3.3Å; K440-Q444 VanDerWaalsContact O-CG 3.27Å; K440-Q444 WeakPolarHBondContact O-CG 3.49Å; K440-Q444 PolarHBondContact O-N 3.05Å
441K93.7Very high94Very high25 Ų2543.7 Ų43.711%0.10921%0.206CC..Hα-helixtrans-60.6-49.7173.4-87.6-77.4-172.2162.40112.5E341 F381 Y437 I438 K439 E443 E445E341-K441 IonicContact OE1-NZ 3.91Å; E341-K441 PolarHBondContact OE1-NZ 2.73Å; E341-K441 IonicContact OE2-NZ 2.83Å; E341-K441 PolarHBondContact OE2-NZ 3Å; F381-K441 HydrophobicContact CE1-CB 4.35Å; F381-K441 HydrophobicContact CZ-CB 4.07Å; Y437-K441 HydrophobicContact CE1-CG 4.23Å; Y437-K441 HydrophobicContact CE2-CG 4.32Å; Y437-K441 PolarHBondContact O-N 3.37Å; I438-K441 PolarHBondContact O-N 2.73Å; K439-K441 VanDerWaalsContact C-N 3.33Å; K439-K441 PolarHBondContact O-N 2.75Å; K441-E443 VanDerWaalsContact C-N 3.27Å; K441-E443 PolarHBondContact O-N 3.37Å; K441-E445 WeakPolarHBondContact CD-OE1 3.22Å; K441-E445 WeakPolarHBondContact CE-OE1 3.17Å; K441-E445 IonicContact NZ-OE1 3.79Å; K441-E445 PolarHBondContact NZ-OE1 2.76Å; K441-E445 PolarHBondContact O-N 2.83Å; K441-E445 VanDerWaalsContact O-N 3.07Å
442L95.3Very high94.1Very high4 Ų444.9 Ų44.92%0.02121%0.211CC..Hα-helixtrans-59.4-36.1179.2-69.5170.7000112.8F381 V383 I394 I438 K439 M446 I447 L448 L480 L484F381-L442 HydrophobicContact CE2-CD2 3.86Å; F381-L442 HydrophobicContact CE2-CG 4.37Å; F381-L442 HydrophobicContact CZ-CD2 4.45Å; V383-L442 HydrophobicContact CG2-CD2 3.86Å; I394-L442 HydrophobicContact CD1-CD1 3.68Å; I394-L442 HydrophobicContact CG1-CD1 4.43Å; I438-L442 HydrophobicContact CG2-CD1 3.86Å; I438-L442 HydrophobicContact CG2-CG 4.18Å; I438-L442 WeakPolarHBondContact O-CB 3.42Å; I438-L442 WeakPolarHBondContact O-CG 3.44Å; I438-L442 PolarHBondContact O-N 3Å; K439-L442 PolarHBondContact O-N 3.15Å; L442-M446 CarbonylContact O-C 3.56Å; L442-M446 WeakPolarHBondContact O-CA 3.38Å; L442-M446 PolarHBondContact O-N 3.05Å; L442-I447 HydrophobicContact CD2-CB 3.89Å; L442-I447 HydrophobicContact CD2-CD1 4.24Å; L442-I447 HydrophobicContact CD2-CG2 3.98Å; L442-I447 PolarHBondContact O-N 2.99Å; L442-L448 HydrophobicContact CB-CG 4.47Å; L442-L448 HydrophobicContact CD2-CD2 4.48Å; L442-L448 HydrophobicContact CD2-CG 4.28Å; L442-L480 HydrophobicContact CD1-CD2 4.38Å; L442-L484 HydrophobicContact CD1-CD1 4.17Å
443E93.1Very high93.9Very high69 Ų6946.6 Ų46.632%0.32223%0.229SC..Hα-helixtrans-80.3-50.1178.1-70.2174.6150.900112.3K439 K440 K441 E445 M446 Q487K439-E443 VanDerWaalsContact CE-OE1 3.25Å; K439-E443 WeakPolarHBondContact CE-OE1 3.48Å; K439-E443 HydrophobicContact CG-CG 4.47Å; K439-E443 WeakPolarHBondContact CG-OE2 3.24Å; K439-E443 IonicContact NZ-OE1 3.42Å; K439-E443 PolarHBondContact NZ-OE1 2.9Å; K439-E443 IonicContact NZ-OE2 2.7Å; K439-E443 PolarHBondContact NZ-OE2 2.62Å; K439-E443 WeakPolarHBondContact O-CG 3.35Å; K439-E443 PolarHBondContact O-N 2.9Å; K440-E443 PolarHBondContact O-N 3.47Å; K441-E443 VanDerWaalsContact C-N 3.27Å; K441-E443 PolarHBondContact O-N 3.37Å; E443-E445 PolarHBondContact O-N 3.44Å; E443-M446 PolarHBondContact O-N 3.2Å; E443-Q487 PolarHBondContact OE1-NE2 3.46Å
444Q93.2Very high93.6Very high142 Ų14247.1 Ų47.166%0.66423%0.231SC*.Hα-helixtrans-67.3-35.8-175.6-71.2-171.7-39.600113.4K440K440-Q444 VanDerWaalsContact CE-OE1 3.23Å; K440-Q444 HydrophobicContact CG-CG 4.18Å; K440-Q444 VanDerWaalsContact O-CB 3.26Å; K440-Q444 WeakPolarHBondContact O-CB 3.3Å; K440-Q444 VanDerWaalsContact O-CG 3.27Å; K440-Q444 WeakPolarHBondContact O-CG 3.49Å; K440-Q444 PolarHBondContact O-N 3.05Å
445E92.3Very high93.2Very high67 Ų6748.8 Ų48.831%0.31324%0.24SC..THydrogen-bonded Turntrans-95.25.6176.1-67.3176.7-141.300112.5Y369 K441 E443 I447 Q450Y369-E445 WeakPolarHBondContact CE2-OE2 3.43Å; K441-E445 WeakPolarHBondContact CD-OE1 3.22Å; K441-E445 WeakPolarHBondContact CE-OE1 3.17Å; K441-E445 IonicContact NZ-OE1 3.79Å; K441-E445 PolarHBondContact NZ-OE1 2.76Å; K441-E445 PolarHBondContact O-N 2.83Å; K441-E445 VanDerWaalsContact O-N 3.07Å; E443-E445 PolarHBondContact O-N 3.44Å; E445-I447 HydrophobicContact CB-CD1 4.03Å; E445-I447 HydrophobicContact CB-CG1 3.7Å; E445-I447 PolarHBondContact O-N 2.82Å; E445-I447 VanDerWaalsContact O-N 3.12Å; E445-Q450 PolarHBondContact O-NE2 3.14Å
446M92.8Very high92.8Very high110 Ų11053.5 Ų53.554%0.54226%0.264SS..THydrogen-bonded Turntrans53.630.9178.5-62-71.6-76.100113.5L442 E443 L448 S449 Q450L442-M446 CarbonylContact O-C 3.56Å; L442-M446 WeakPolarHBondContact O-CA 3.38Å; L442-M446 PolarHBondContact O-N 3.05Å; E443-M446 PolarHBondContact O-N 3.2Å; M446-L448 VanDerWaalsContact C-N 3.3Å; M446-L448 PolarHBondContact O-N 3.21Å; M446-S449 WeakPolarHBondContact CE-OG 3.31Å; M446-S449 WeakPolarHBondContact O-CA 3.29Å; M446-S449 WeakPolarHBondContact O-CB 3.48Å; M446-S449 PolarHBondContact O-N 2.94Å; M446-Q450 WeakPolarHBondContact O-CG 3.35Å; M446-Q450 PolarHBondContact O-N 3.15Å
447I94.7Very high92.5Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-61.1-38.6-168.2-58171.2000111.4Y369 F381 V383 L442 E445 Q450 A451Y369-I447 HydrophobicContact CD1-CD1 3.93Å; Y369-I447 HydrophobicContact CD1-CG2 4.33Å; Y369-I447 HydrophobicContact CD2-CD1 3.68Å; Y369-I447 HydrophobicContact CD2-CG1 4.05Å; Y369-I447 HydrophobicContact CD2-CG2 4.38Å; Y369-I447 HydrophobicContact CE1-CD1 3.81Å; Y369-I447 HydrophobicContact CE2-CD1 3.54Å; Y369-I447 HydrophobicContact CE2-CG1 4.27Å; Y369-I447 HydrophobicContact CG-CD1 3.87Å; Y369-I447 HydrophobicContact CG-CG1 4.32Å; Y369-I447 HydrophobicContact CG-CG2 3.88Å; F381-I447 HydrophobicContact CZ-CD1 4.34Å; V383-I447 HydrophobicContact CB-CG2 4.07Å; V383-I447 HydrophobicContact CG1-CG2 4.42Å; V383-I447 HydrophobicContact CG2-CG2 3.78Å; L442-I447 HydrophobicContact CD2-CB 3.89Å; L442-I447 HydrophobicContact CD2-CD1 4.24Å; L442-I447 HydrophobicContact CD2-CG2 3.98Å; L442-I447 PolarHBondContact O-N 2.99Å; E445-I447 HydrophobicContact CB-CD1 4.03Å; E445-I447 HydrophobicContact CB-CG1 3.7Å; E445-I447 PolarHBondContact O-N 2.82Å; E445-I447 VanDerWaalsContact O-N 3.12Å; I447-Q450 WeakPolarHBondContact O-CB 3.37Å; I447-Q450 PolarHBondContact O-N 3.24Å; I447-A451 PolarHBondContact O-N 2.82Å
448L94.2Very high92.1Very high10 Ų1057.6 Ų57.65%0.05230%0.297CS..Hα-helixtrans-66.2-41.6175-71.4180000111.7V392 I394 L442 M446 Q450 A451 F452 L465 Y488V392-L448 HydrophobicContact CG1-CD2 4.16Å; I394-L448 HydrophobicContact CD1-CD2 4.19Å; I394-L448 HydrophobicContact CG1-CD2 4.29Å; L442-L448 HydrophobicContact CB-CG 4.47Å; L442-L448 HydrophobicContact CD2-CD2 4.48Å; L442-L448 HydrophobicContact CD2-CG 4.28Å; M446-L448 VanDerWaalsContact C-N 3.3Å; M446-L448 PolarHBondContact O-N 3.21Å; L448-Q450 VanDerWaalsContact C-N 3.32Å; L448-Q450 PolarHBondContact O-N 2.78Å; L448-A451 PolarHBondContact O-N 3.03Å; L448-A451 VanDerWaalsContact O-N 3.12Å; L448-F452 HydrophobicContact CB-CD2 4.25Å; L448-F452 HydrophobicContact CB-CE2 4.1Å; L448-F452 HydrophobicContact CD2-CE2 4.35Å; L448-F452 WeakPolarHBondContact O-CD2 3.13Å; L448-F452 PolarHBondContact O-N 2.97Å; L448-L465 HydrophobicContact CD2-CD1 4.01Å; L448-Y488 HydrophobicContact CD1-CE2 3.86Å
449S92.6Very high91.8Very high62 Ų6258.6 Ų58.643%0.43431%0.307SS..Hα-helixtrans-63-37.9175-49.30000111.9M446 G453M446-S449 WeakPolarHBondContact CE-OG 3.31Å; M446-S449 WeakPolarHBondContact O-CA 3.29Å; M446-S449 WeakPolarHBondContact O-CB 3.48Å; M446-S449 PolarHBondContact O-N 2.94Å; S449-G453 WeakPolarHBondContact O-CA 3.2Å; S449-G453 PolarHBondContact O-N 2.69Å
450Q92.2Very high91.5Very high79 Ų7956.6 Ų56.637%0.36930%0.298SS..Hα-helixtrans-62.1-41.3171.5-63.7-178.845.200111.8V368 E445 M446 I447 L448 R454V368-Q450 HydrophobicContact CG1-CB 4.16Å; E445-Q450 PolarHBondContact O-NE2 3.14Å; M446-Q450 WeakPolarHBondContact O-CG 3.35Å; M446-Q450 PolarHBondContact O-N 3.15Å; I447-Q450 WeakPolarHBondContact O-CB 3.37Å; I447-Q450 PolarHBondContact O-N 3.24Å; L448-Q450 VanDerWaalsContact C-N 3.32Å; L448-Q450 PolarHBondContact O-N 2.78Å; Q450-R454 WeakPolarHBondContact O-CB 3.46Å; Q450-R454 PolarHBondContact O-N 2.69Å
451A93.2Very high91.4Very high0 Ų055.8 Ų55.80%030%0.297CS..Hα-helixtrans-70.3-49.2179.900000112.9V368 V383 V385 V392 I447 L448 G453 R454V368-A451 HydrophobicContact CG1-CB 4.36Å; V368-A451 HydrophobicContact CG2-CB 4.03Å; V383-A451 HydrophobicContact CG1-CB 4.08Å; V385-A451 HydrophobicContact CG2-CB 4.15Å; V385-A451 WeakPolarHBondContact CG2-O 3.29Å; V392-A451 HydrophobicContact CG1-CB 3.77Å; V392-A451 HydrophobicContact CG2-CB 4.08Å; I447-A451 PolarHBondContact O-N 2.82Å; L448-A451 PolarHBondContact O-N 3.03Å; L448-A451 VanDerWaalsContact O-N 3.12Å; A451-G453 VanDerWaalsContact C-N 3.28Å; A451-G453 PolarHBondContact O-N 3.26Å; A451-R454 WeakPolarHBondContact O-CB 3.04Å; A451-R454 PolarHBondContact O-N 2.85Å
452F94.6Very high91.3Very high28 Ų2862.1 Ų62.112%0.12333%0.327CS..Hα-helixtrans-66.8-28.9176-67.5-62000112.4V392 L448 T460 M461 Y463 L465 Y488V392-F452 HydrophobicContact CB-CD1 4.46Å; V392-F452 HydrophobicContact CB-CE1 3.87Å; V392-F452 HydrophobicContact CB-CZ 4.06Å; V392-F452 HydrophobicContact CG2-CD1 3.5Å; V392-F452 VanDerWaalsContact CG2-CD1 3.5Å; V392-F452 HydrophobicContact CG2-CE1 3.36Å; V392-F452 HydrophobicContact CG2-CG 4.19Å; V392-F452 HydrophobicContact CG2-CZ 3.96Å; L448-F452 HydrophobicContact CB-CD2 4.25Å; L448-F452 HydrophobicContact CB-CE2 4.1Å; L448-F452 HydrophobicContact CD2-CE2 4.35Å; L448-F452 WeakPolarHBondContact O-CD2 3.13Å; L448-F452 PolarHBondContact O-N 2.97Å; F452-T460 CarbonylContact O-C 3.57Å; F452-T460 VanDerWaalsContact O-C 3.27Å; F452-T460 WeakPolarHBondContact O-CB 3.11Å; F452-T460 PolarHBondContact O-OG1 2.81Å; F452-M461 PolarHBondContact O-N 2.95Å; F452-Y463 WeakPolarHBondContact CE1-O 3.49Å; F452-L465 HydrophobicContact CZ-CD1 4.47Å; F452-Y488 HydrophobicContact CD2-CE1 4.46Å; F452-Y488 HydrophobicContact CE2-CD1 4.41Å; F452-Y488 AromaticContact CE2-CE1 3.49Å; F452-Y488 HydrophobicContact CE2-CE1 3.49Å; F452-Y488 VanDerWaalsContact CE2-CE1 3.49Å; F452-Y488 AromaticContact CE2-CZ 3.96Å; F452-Y488 HydrophobicContact CZ-CD1 4.32Å; F452-Y488 AromaticContact CZ-CE1 3.82Å; F452-Y488 HydrophobicContact CZ-CE1 3.82Å
453G91Very high91.4Very high37 Ų3762.8 Ų62.838%0.38133%0.329SS..THydrogen-bonded Turntrans-82.2-8.2177.100000115.9S449 A451 D455S449-G453 WeakPolarHBondContact O-CA 3.2Å; S449-G453 PolarHBondContact O-N 2.69Å; A451-G453 VanDerWaalsContact C-N 3.28Å; A451-G453 PolarHBondContact O-N 3.26Å; G453-D455 PolarHBondContact O-N 2.76Å
454R85.1Confident91.5Very high80 Ų8060.1 Ų60.130%0.30232%0.32SS..THydrogen-bonded Turntrans-65.8-43.2-164.2-168173.3178.197.3-8.8115.5S337 I367 Q450 A451S337-R454 PolarHBondContact O-NH1 2.94Å; S337-R454 PolarHBondContact O-NH2 2.85Å; I367-R454 PolarHBondContact O-NH2 2.95Å; Q450-R454 WeakPolarHBondContact O-CB 3.46Å; Q450-R454 PolarHBondContact O-N 2.69Å; A451-R454 WeakPolarHBondContact O-CB 3.04Å; A451-R454 PolarHBondContact O-N 2.85Å
455D86.9Confident91.8Very high35 Ų3553.5 Ų53.519%0.18729%0.289CS..THydrogen-bonded Turntrans-134.666.6-178-68-101.7000109.8H387 G453 S457 K458 G459 T460H387-D455 IonicContact CE1-OD2 3.65Å; H387-D455 PolarHBondContact CE1-OD2 3.09Å; H387-D455 IonicContact NE2-OD2 2.67Å; G453-D455 PolarHBondContact O-N 2.76Å; D455-S457 PolarHBondContact O-N 2.93Å; D455-K458 HydrophobicContact CB-CB 4.07Å; D455-K458 HydrophobicContact CB-CD 3.68Å; D455-K458 HydrophobicContact CB-CG 3.97Å; D455-K458 WeakPolarHBondContact O-CA 3.13Å; D455-K458 WeakPolarHBondContact O-CB 3.37Å; D455-K458 PolarHBondContact O-N 2.88Å; D455-K458 VanDerWaalsContact OD1-CE 3.3Å; D455-K458 WeakPolarHBondContact OD1-CE 3.24Å; D455-K458 IonicContact OD1-NZ 2.91Å; D455-K458 PolarHBondContact OD1-NZ 2.76Å; D455-K458 IonicContact OD2-NZ 3.87Å; D455-G459 PolarHBondContact O-N 3.45Å; D455-T460 HydrophobicContact CB-CG2 3.74Å; D455-T460 PolarHBondContact N-OG1 3.42Å; D455-T460 PolarHBondContact O-N 3.29Å; D455-T460 PolarHBondContact O-OG1 2.78Å
456L88Confident92.1Very high98 Ų9850.4 Ų50.451%0.51328%0.275SS..G310 helixtrans-53.3-32.1-179-63.1175.4000112.9K458 G459 T460 M461L456-K458 VanDerWaalsContact C-N 3.27Å; L456-K458 PolarHBondContact O-N 3.43Å; L456-G459 WeakPolarHBondContact O-CA 3.38Å; L456-G459 PolarHBondContact O-N 3.18Å; L456-T460 PolarHBondContact N-OG1 3.38Å; L456-M461 HydrophobicContact CB-CE 4.11Å; L456-M461 HydrophobicContact CD2-CB 4.25Å; L456-M461 HydrophobicContact CD2-CE 3.84Å; L456-M461 HydrophobicContact CD2-SD 4.41Å
457S87.2Confident92.3Very high118 Ų11845.1 Ų45.183%0.82525%0.249SC*.G310 helixtrans-64.6-24.4174.2550000114.5D455D455-S457 PolarHBondContact O-N 2.93Å
458K87.6Confident92.5Very high86 Ų8645.1 Ų45.137%0.37425%0.249SC..G310 helixtrans-93.15.9171.5-57.7174.5-172.3149.30112.4H387 D455 L456 Y463H387-K458 PolarHBondContact CD2-NZ 3.4Å; H387-K458 WeakPolarHBondContact CE1-CD 3.44Å; H387-K458 WeakPolarHBondContact ND1-CD 3.27Å; H387-K458 PolarHBondContact NE2-NZ 3.47Å; D455-K458 HydrophobicContact CB-CB 4.07Å; D455-K458 HydrophobicContact CB-CD 3.68Å; D455-K458 HydrophobicContact CB-CG 3.97Å; D455-K458 WeakPolarHBondContact O-CA 3.13Å; D455-K458 WeakPolarHBondContact O-CB 3.37Å; D455-K458 PolarHBondContact O-N 2.88Å; D455-K458 VanDerWaalsContact OD1-CE 3.3Å; D455-K458 WeakPolarHBondContact OD1-CE 3.24Å; D455-K458 IonicContact OD1-NZ 2.91Å; D455-K458 PolarHBondContact OD1-NZ 2.76Å; D455-K458 IonicContact OD2-NZ 3.87Å; L456-K458 VanDerWaalsContact C-N 3.27Å; L456-K458 PolarHBondContact O-N 3.43Å; K458-Y463 WeakPolarHBondContact O-CE1 3.43Å; K458-Y463 PolarHBondContact O-OH 3.23Å
459G89.3Confident92.7Very high21 Ų2144.7 Ų44.722%0.21625%0.247CC..THydrogen-bonded Turntrans70.330.1-179.100000114.8D455 L456 M461 H462 Y463D455-G459 PolarHBondContact O-N 3.45Å; L456-G459 WeakPolarHBondContact O-CA 3.38Å; L456-G459 PolarHBondContact O-N 3.18Å; G459-M461 PolarHBondContact O-N 3.31Å; G459-M461 VanDerWaalsContact O-N 3.08Å; G459-H462 PolarHBondContact O-N 2.78Å; G459-Y463 WeakPolarHBondContact O-CD1 3.28Å; G459-Y463 WeakPolarHBondContact O-CE1 3.25Å
460T90.9Very high92.9Very high0 Ų041.8 Ų41.80%023%0.226CC..G310 helixtrans-55.5-27.6-177.447.40000114.1V385 F452 D455 L456 H462 Y463V385-T460 HydrophobicContact CG1-CG2 3.97Å; F452-T460 CarbonylContact O-C 3.57Å; F452-T460 VanDerWaalsContact O-C 3.27Å; F452-T460 WeakPolarHBondContact O-CB 3.11Å; F452-T460 PolarHBondContact O-OG1 2.81Å; D455-T460 HydrophobicContact CB-CG2 3.74Å; D455-T460 PolarHBondContact N-OG1 3.42Å; D455-T460 PolarHBondContact O-N 3.29Å; D455-T460 PolarHBondContact O-OG1 2.78Å; L456-T460 PolarHBondContact N-OG1 3.38Å; T460-H462 PolarHBondContact O-N 3.26Å; T460-H462 VanDerWaalsContact O-N 3.08Å; T460-Y463 HydrophobicContact CG2-CD2 4.24Å; T460-Y463 HydrophobicContact CG2-CE1 4.35Å; T460-Y463 HydrophobicContact CG2-CE2 3.79Å; T460-Y463 WeakPolarHBondContact O-CB 3.41Å; T460-Y463 PolarHBondContact O-N 2.84Å; T460-Y463 VanDerWaalsContact O-N 3.09Å
461M91.6Very high93Very high100 Ų10038.2 Ų38.249%0.49321%0.21SC..G310 helixtrans-62.8-10.9175.474.9-164.399.700114.9F452 L456 G459F452-M461 PolarHBondContact O-N 2.95Å; L456-M461 HydrophobicContact CB-CE 4.11Å; L456-M461 HydrophobicContact CD2-CB 4.25Å; L456-M461 HydrophobicContact CD2-CE 3.84Å; L456-M461 HydrophobicContact CD2-SD 4.41Å; G459-M461 PolarHBondContact O-N 3.31Å; G459-M461 VanDerWaalsContact O-N 3.08Å
462H92.3Very high93Very high158 Ų15838.2 Ų38.273%0.73121%0.21SC*.G310 helixtrans-113.612.7177.2-55.7-46.7000112.9G459 T460G459-H462 PolarHBondContact O-N 2.78Å; T460-H462 PolarHBondContact O-N 3.26Å; T460-H462 VanDerWaalsContact O-N 3.08Å
463Y95.9Very high93.1Very high19 Ų1936.9 Ų36.98%0.07520%0.204CC..PPolyproline II helixtrans-76147.5179.9-75.820.4000110.4V385 H387 K390 F452 K458 G459 T460V385-Y463 HydrophobicContact CG1-CD2 3.91Å; V385-Y463 HydrophobicContact CG1-CE2 3.65Å; H387-Y463 AromaticContact ND1-CE2 3.55Å; H387-Y463 AromaticContact ND1-CZ 3.68Å; H387-Y463 PolarHBondContact ND1-OH 2.99Å; K390-Y463 HydrophobicContact CB-CD1 3.75Å; K390-Y463 HydrophobicContact CB-CD2 4.38Å; K390-Y463 HydrophobicContact CB-CE1 3.83Å; K390-Y463 HydrophobicContact CB-CE2 4.41Å; K390-Y463 HydrophobicContact CB-CG 4.07Å; K390-Y463 HydrophobicContact CD-CE1 4.42Å; K390-Y463 HydrophobicContact CG-CD1 4.36Å; K390-Y463 HydrophobicContact CG-CE1 3.93Å; K390-Y463 VanDerWaalsContact O-CA 3.27Å; K390-Y463 WeakPolarHBondContact O-CA 3.46Å; K390-Y463 VanDerWaalsContact O-CB 3.25Å; K390-Y463 WeakPolarHBondContact O-CB 3.1Å; F452-Y463 WeakPolarHBondContact CE1-O 3.49Å; K458-Y463 WeakPolarHBondContact O-CE1 3.43Å; K458-Y463 PolarHBondContact O-OH 3.23Å; G459-Y463 WeakPolarHBondContact O-CD1 3.28Å; G459-Y463 WeakPolarHBondContact O-CE1 3.25Å; T460-Y463 HydrophobicContact CG2-CD2 4.24Å; T460-Y463 HydrophobicContact CG2-CE1 4.35Å; T460-Y463 HydrophobicContact CG2-CE2 3.79Å; T460-Y463 WeakPolarHBondContact O-CB 3.41Å; T460-Y463 PolarHBondContact O-N 2.84Å; T460-Y463 VanDerWaalsContact O-N 3.09Å
464G96.5Very high93.4Very high13 Ų1335.1 Ų35.113%0.13419%0.186CC..EExtended strand (participates in β ladder)trans-78.4151.5175.100000111.9K390 K391 V392K390-G464 PolarHBondContact O-N 3.31Å; K390-G464 VanDerWaalsContact O-N 3.08Å; K391-G464 CarbonylContact C-O 3.58Å; K391-G464 WeakPolarHBondContact CA-O 3.35Å; K391-G464 WeakPolarHBondContact CB-O 3.38Å; K391-G464 WeakPolarHBondContact CD-O 3.25Å; V392-G464 PolarHBondContact N-O 3.43Å
465L98.1Very high94Very high2 Ų231.3 Ų31.31%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-84.1137.6171.5-172.262.1000110.6V392 I394 L448 F452 I467 L484 Y488 L491 H492V392-L465 HydrophobicContact CB-CD1 4.31Å; V392-L465 HydrophobicContact CG1-CD1 4.2Å; V392-L465 CarbonylContact O-C 3.54Å; I394-L465 HydrophobicContact CD1-CD1 3.96Å; I394-L465 HydrophobicContact CD1-CD2 4.47Å; I394-L465 HydrophobicContact CG1-CD1 4.18Å; L448-L465 HydrophobicContact CD2-CD1 4.01Å; F452-L465 HydrophobicContact CZ-CD1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.46Å; L465-L484 HydrophobicContact CD2-CD1 4.23Å; L465-Y488 HydrophobicContact CB-CD1 4.47Å; L465-Y488 HydrophobicContact CD2-CD1 4.32Å; L465-Y488 HydrophobicContact CD2-CD2 3.87Å; L465-Y488 HydrophobicContact CD2-CE2 4.47Å; L465-Y488 HydrophobicContact CD2-CG 3.81Å; L465-L491 HydrophobicContact CB-CB 4.03Å; L465-L491 HydrophobicContact CD2-CB 4.26Å; L465-L491 HydrophobicContact CD2-CD2 4.31Å; L465-L491 HydrophobicContact CG-CB 4.33Å; L465-L491 WeakPolarHBondContact O-CA 3.3Å; L465-H492 PolarHBondContact O-N 3.46Å
466V98.6Very high94.5Very high2 Ų229.6 Ų29.61%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-129.3139.1168.5-178.60000108.5Y295 K391 V392 V393 I394 V468 H492 Y494Y295-V466 HydrophobicContact CD1-CG1 3.98Å; Y295-V466 HydrophobicContact CE1-CB 4.38Å; Y295-V466 HydrophobicContact CE1-CG1 4Å; Y295-V466 HydrophobicContact CE1-CG2 4.27Å; Y295-V466 HydrophobicContact CG-CG1 4.39Å; K391-V466 HydrophobicContact CB-CG2 4.1Å; K391-V466 HydrophobicContact CD-CG2 3.8Å; K391-V466 HydrophobicContact CG-CG2 3.81Å; V392-V466 PolarHBondContact O-N 2.98Å; V393-V466 WeakPolarHBondContact CA-O 3.11Å; V393-V466 HydrophobicContact CG2-CB 4.43Å; I394-V466 PolarHBondContact N-O 2.73Å; V466-V468 HydrophobicContact CG1-CG1 3.85Å; V466-H492 VanDerWaalsContact CA-O 3.3Å; V466-H492 WeakPolarHBondContact CA-O 3.36Å; V466-Y494 HydrophobicContact CG1-CD2 3.75Å; V466-Y494 HydrophobicContact CG1-CE2 3.97Å
467I98.7Very high94.9Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-118.7133.6174.5-43.8-165.3000108.1I394 I396 L465 A477 L480 L484 H492 C493 Y494I394-I467 HydrophobicContact CB-CG2 4.2Å; I394-I467 HydrophobicContact CD1-CD1 4.01Å; I394-I467 HydrophobicContact CD1-CG1 4.15Å; I394-I467 HydrophobicContact CG2-CG2 4.34Å; I394-I467 CarbonylContact O-C 3.54Å; I394-I467 WeakPolarHBondContact O-CA 3.08Å; I396-I467 HydrophobicContact CD1-CG2 4.31Å; L465-I467 HydrophobicContact CG-CG1 4.46Å; I467-A477 HydrophobicContact CG2-CB 3.73Å; I467-L480 HydrophobicContact CD1-CD2 4.16Å; I467-L480 HydrophobicContact CD1-CG 4.04Å; I467-L480 HydrophobicContact CG2-CD2 4.21Å; I467-L484 HydrophobicContact CD1-CD1 3.94Å; I467-H492 PolarHBondContact N-O 2.91Å; I467-C493 CarbonylContact O-C 3.54Å; I467-C493 VanDerWaalsContact O-CA 3.23Å; I467-C493 WeakPolarHBondContact O-CA 3.42Å; I467-Y494 PolarHBondContact O-N 3.04Å
468V98.6Very high95.5Very high0 Ų019.3 Ų19.30%010%0.099CC..EExtended strand (participates in β ladder)trans-135.3153-179.5-47.60000111.1Y295 F298 A299 V393 I394 S395 I396 V466 Y494Y295-V468 HydrophobicContact CD1-CG1 4.25Å; Y295-V468 HydrophobicContact CG-CG1 4.43Å; F298-V468 HydrophobicContact CB-CG2 3.74Å; A299-V468 HydrophobicContact CB-CG2 4.34Å; V393-V468 HydrophobicContact CG1-CG1 4.11Å; V393-V468 HydrophobicContact CG1-CG2 4.2Å; I394-V468 PolarHBondContact O-N 2.76Å; S395-V468 WeakPolarHBondContact CA-O 3.18Å; S395-V468 VanDerWaalsContact OG-CG2 3.29Å; S395-V468 WeakPolarHBondContact OG-CG2 3.47Å; I396-V468 PolarHBondContact N-O 2.97Å; V466-V468 HydrophobicContact CG1-CG1 3.85Å; V468-Y494 WeakPolarHBondContact CA-O 3.34Å; V468-Y494 HydrophobicContact CG1-CD2 4.37Å
469G97.9Very high95.9Very high0 Ų015.2 Ų15.20%08%0.081CC..EExtended strand (participates in β ladder)trans-173.6169.1170.700000112.1A474 Y494 Y496G469-A474 WeakPolarHBondContact O-CB 3.2Å; G469-Y494 PolarHBondContact N-O 3.48Å; G469-Y496 WeakPolarHBondContact O-CD2 3.27Å; G469-Y496 PolarHBondContact O-N 3.03Å
470H96.9Very high96.3Very high1 Ų114.2 Ų14.21%0.0057%0.071CC..EExtended strand (participates in β ladder)trans-127.1142.8179.1176.3-90.7000110.6A299 Y303 G398 L472 G473 A474 Y496 H652A299-H470 HydrophobicContact CB-CB 4.42Å; Y303-H470 HydrophobicContact CE2-CB 4.13Å; Y303-H470 AromaticContact CZ-ND1 3.82Å; Y303-H470 PolarHBondContact OH-ND1 3.14Å; G398-H470 WeakPolarHBondContact CA-O 3.2Å; H470-L472 PolarHBondContact O-N 3.44Å; H470-G473 WeakPolarHBondContact O-CA 3.47Å; H470-G473 PolarHBondContact O-N 3.28Å; H470-A474 PolarHBondContact O-N 3.4Å; H470-Y496 CarbonylContact C-O 3.6Å; H470-Y496 VanDerWaalsContact CA-O 3.25Å; H470-Y496 WeakPolarHBondContact CA-O 3.39Å; H470-Y496 PolarHBondContact CD2-O 3.33Å; H470-Y496 VanDerWaalsContact CD2-O 3.31Å; H470-H652 AromaticContact CE1-CE1 3.81Å; H470-H652 AromaticContact CE1-NE2 3.75Å; H470-H652 PolarHBondContact CE1-O 3.48Å; H470-H652 PolarHBondContact NE2-O 2.88Å; H470-H652 VanDerWaalsContact NE2-O 3.11Å
471S94.8Very high96.7Very high4 Ų414.2 Ų14.23%0.0287%0.071CC..THydrogen-bonded Turntrans55-125.4179.6-164.10000112.2G473 A474 G475 Y496 S497 H652S471-G473 PolarHBondContact O-N 3.03Å; S471-A474 WeakPolarHBondContact O-CA 3.42Å; S471-A474 VanDerWaalsContact O-CB 3.28Å; S471-A474 WeakPolarHBondContact O-CB 3.3Å; S471-A474 PolarHBondContact O-N 3.04Å; S471-G475 PolarHBondContact O-N 3.49Å; S471-G475 VanDerWaalsContact O-N 3.15Å; S471-Y496 PolarHBondContact N-O 3.22Å; S471-S497 WeakPolarHBondContact CA-O 3.45Å; S471-H652 WeakPolarHBondContact CB-NE2 3.44Å; S471-H652 PolarHBondContact OG-CE1 3.01Å; S471-H652 VanDerWaalsContact OG-CE1 3.29Å; S471-H652 PolarHBondContact OG-NE2 3Å
472L93.1Very high96.9Very high0 Ų09.7 Ų9.70%05%0.048CC..Hα-helixtrans-39.5-52.9167176.157.1000112.5T379 D404 T407 D408 M431 H470 A474 G475 T476T379-L472 HydrophobicContact CG2-CD2 4.34Å; D404-L472 HydrophobicContact CB-CD2 3.62Å; T407-L472 HydrophobicContact CG2-CD1 3.88Å; D408-L472 WeakPolarHBondContact OD1-CB 3.31Å; M431-L472 HydrophobicContact CE-CD1 3.64Å; M431-L472 HydrophobicContact CG-CD1 3.62Å; M431-L472 HydrophobicContact SD-CD1 4.4Å; H470-L472 PolarHBondContact O-N 3.44Å; L472-A474 VanDerWaalsContact C-N 3.26Å; L472-A474 PolarHBondContact O-N 3.29Å; L472-G475 PolarHBondContact O-N 3.15Å; L472-G475 VanDerWaalsContact O-N 3.09Å; L472-T476 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-OG1 2.92Å
473G96.3Very high97Very high0 Ų02.7 Ų2.70%02%0.016CC..Hα-helixtrans-64.9-26.3-179.400000113.5R397 H470 S471 A477R397-G473 VanDerWaalsContact O-CA 3.27Å; R397-G473 WeakPolarHBondContact O-CA 3.44Å; R397-G473 PolarHBondContact O-N 3.41Å; H470-G473 WeakPolarHBondContact O-CA 3.47Å; H470-G473 PolarHBondContact O-N 3.28Å; S471-G473 PolarHBondContact O-N 3.03Å; G473-A477 WeakPolarHBondContact O-CB 3.37Å; G473-A477 PolarHBondContact O-N 3.16Å
474A97.7Very high97Very high0 Ų01.8 Ų1.80%01%0.013CC..Hα-helixtrans-73.1-36.1173.700000111.9G469 H470 S471 L472 A478 S495 Y496 P498G469-A474 WeakPolarHBondContact O-CB 3.2Å; H470-A474 PolarHBondContact O-N 3.4Å; S471-A474 WeakPolarHBondContact O-CA 3.42Å; S471-A474 VanDerWaalsContact O-CB 3.28Å; S471-A474 WeakPolarHBondContact O-CB 3.3Å; S471-A474 PolarHBondContact O-N 3.04Å; L472-A474 VanDerWaalsContact C-N 3.26Å; L472-A474 PolarHBondContact O-N 3.29Å; A474-A478 WeakPolarHBondContact O-CB 3.27Å; A474-A478 PolarHBondContact O-N 3.35Å; A474-A478 VanDerWaalsContact O-N 3.09Å; A474-S495 PolarHBondContact O-OG 3.09Å; A474-Y496 WeakPolarHBondContact CB-O 3.33Å; A474-P498 HydrophobicContact CB-CB 3.94Å
475G96.4Very high96.8Very high0 Ų03.1 Ų3.10%01%0.014CC..Hα-helixtrans-66-51.5172.300000111.7S471 L472 A477 A478 I479S471-G475 PolarHBondContact O-N 3.49Å; S471-G475 VanDerWaalsContact O-N 3.15Å; L472-G475 PolarHBondContact O-N 3.15Å; L472-G475 VanDerWaalsContact O-N 3.09Å; G475-A477 VanDerWaalsContact C-N 3.33Å; G475-A477 PolarHBondContact O-N 3.5Å; G475-A478 PolarHBondContact O-N 2.82Å; G475-I479 PolarHBondContact O-N 2.9Å
476T97.4Very high96.5Very high0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-60.5-39.4175.4-53.40000112I396 A435 I438 L472 I479 L480I396-T476 HydrophobicContact CD1-CG2 3.98Å; I396-T476 HydrophobicContact CG2-CG2 4.34Å; A435-T476 HydrophobicContact CB-CG2 4.21Å; I438-T476 HydrophobicContact CD1-CG2 3.95Å; L472-T476 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-OG1 2.92Å; T476-I479 PolarHBondContact O-N 3.32Å; T476-L480 WeakPolarHBondContact O-CB 3.37Å; T476-L480 PolarHBondContact O-N 3.01Å
477A98.3Very high96.2Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-64.6-41.9176.200000112.5I396 I467 G473 G475 S481 C493I396-A477 HydrophobicContact CD1-CB 4.01Å; I467-A477 HydrophobicContact CG2-CB 3.73Å; G473-A477 WeakPolarHBondContact O-CB 3.37Å; G473-A477 PolarHBondContact O-N 3.16Å; G475-A477 VanDerWaalsContact C-N 3.33Å; G475-A477 PolarHBondContact O-N 3.5Å; A477-S481 WeakPolarHBondContact O-CB 3.04Å; A477-S481 PolarHBondContact O-N 2.86Å; A477-S481 PolarHBondContact O-OG 3.38Å; A477-C493 VanDerWaalsContact C-SG 3.58Å
478A97.9Very high96Very high0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-63-46174.900000111.3A474 G475 S481 F482 L502 V515 P606A474-A478 WeakPolarHBondContact O-CB 3.27Å; A474-A478 PolarHBondContact O-N 3.35Å; A474-A478 VanDerWaalsContact O-N 3.09Å; G475-A478 PolarHBondContact O-N 2.82Å; A478-S481 VanDerWaalsContact O-CB 3.31Å; A478-S481 WeakPolarHBondContact O-CB 3.19Å; A478-S481 PolarHBondContact O-N 3Å; A478-F482 VanDerWaalsContact O-CD2 3.32Å; A478-F482 WeakPolarHBondContact O-CD2 3.2Å; A478-F482 PolarHBondContact O-N 3.11Å; A478-L502 HydrophobicContact CB-CD2 3.91Å; A478-V515 HydrophobicContact CB-CG1 4.44Å; A478-V515 HydrophobicContact CB-CG2 4.47Å; A478-P606 HydrophobicContact CB-CB 3.93Å; A478-P606 HydrophobicContact CB-CG 3.8Å
479I97.5Very high95.7Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-68.3-45.5179.4-64.7170.9000111.6L416 M431 V432 A435 G475 T476 S481 F482 L483 L502 L503L416-I479 HydrophobicContact CD2-CG1 4.4Å; L416-I479 HydrophobicContact CD2-CG2 3.95Å; M431-I479 HydrophobicContact CB-CD1 3.8Å; V432-I479 HydrophobicContact CG2-CD1 3.97Å; V432-I479 HydrophobicContact CG2-CG2 4.46Å; A435-I479 HydrophobicContact CB-CB 3.99Å; A435-I479 HydrophobicContact CB-CG2 3.63Å; G475-I479 PolarHBondContact O-N 2.9Å; T476-I479 PolarHBondContact O-N 3.32Å; I479-S481 PolarHBondContact O-N 3.13Å; I479-S481 VanDerWaalsContact O-N 3.14Å; I479-F482 WeakPolarHBondContact O-CB 3.49Å; I479-F482 PolarHBondContact O-N 3.49Å; I479-L483 PolarHBondContact O-N 2.89Å; I479-L502 HydrophobicContact CD1-CD1 3.85Å; I479-L502 HydrophobicContact CD1-CG 4.4Å; I479-L502 HydrophobicContact CG1-CD1 4.41Å; I479-L503 HydrophobicContact CG1-CD2 4.07Å
480L97.8Very high95.6Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-55.9-33.1174.8-179.964.5000111.9I394 I396 A435 I438 K439 L442 I467 T476 F482 L483 L484I394-L480 HydrophobicContact CD1-CD2 4.36Å; I394-L480 HydrophobicContact CG2-CD2 4.25Å; I396-L480 HydrophobicContact CD1-CD2 3.93Å; A435-L480 HydrophobicContact CB-CB 4.06Å; I438-L480 HydrophobicContact CB-CD2 4.32Å; I438-L480 HydrophobicContact CG2-CD1 4.44Å; I438-L480 HydrophobicContact CG2-CD2 3.63Å; K439-L480 HydrophobicContact CB-CD1 3.87Å; L442-L480 HydrophobicContact CD1-CD2 4.38Å; I467-L480 HydrophobicContact CD1-CD2 4.16Å; I467-L480 HydrophobicContact CD1-CG 4.04Å; I467-L480 HydrophobicContact CG2-CD2 4.21Å; T476-L480 WeakPolarHBondContact O-CB 3.37Å; T476-L480 PolarHBondContact O-N 3.01Å; L480-F482 VanDerWaalsContact C-N 3.35Å; L480-F482 PolarHBondContact O-N 3.32Å; L480-L483 PolarHBondContact O-N 3Å; L480-L483 VanDerWaalsContact O-N 3.15Å; L480-L484 HydrophobicContact CD1-CD1 3.92Å; L480-L484 HydrophobicContact CD1-CG 4.01Å; L480-L484 HydrophobicContact CD2-CD1 4.37Å; L480-L484 HydrophobicContact CG-CD1 3.91Å; L480-L484 HydrophobicContact CG-CG 4.31Å; L480-L484 PolarHBondContact O-N 2.98Å
481S97.6Very high95.6Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-64.7-33.4174.6-60.40000112.9A477 A478 I479 R485 C493A477-S481 WeakPolarHBondContact O-CB 3.04Å; A477-S481 PolarHBondContact O-N 2.86Å; A477-S481 PolarHBondContact O-OG 3.38Å; A478-S481 VanDerWaalsContact O-CB 3.31Å; A478-S481 WeakPolarHBondContact O-CB 3.19Å; A478-S481 PolarHBondContact O-N 3Å; I479-S481 PolarHBondContact O-N 3.13Å; I479-S481 VanDerWaalsContact O-N 3.14Å; S481-R485 VanDerWaalsContact O-CB 3.27Å; S481-R485 WeakPolarHBondContact O-CB 3.35Å; S481-R485 PolarHBondContact O-N 3.37Å; S481-R485 VanDerWaalsContact O-N 3.13Å; S481-C493 WeakPolarHBondContact OG-CB 3.19Å
482F95.9Very high95.7Very high4 Ų426.2 Ų26.22%0.01814%0.142CC..Hα-helixtrans-63-45.2169-75.9-109.5000111.1L416 V418 W425 A478 I479 L480 L484 R485 P486 L503 A507 Y510 F514L416-F482 HydrophobicContact CD1-CD1 3.7Å; L416-F482 HydrophobicContact CD1-CD2 4.29Å; L416-F482 HydrophobicContact CD1-CE1 3.77Å; L416-F482 HydrophobicContact CD1-CE2 4.39Å; L416-F482 HydrophobicContact CD1-CG 3.97Å; L416-F482 HydrophobicContact CD1-CZ 4.13Å; V418-F482 HydrophobicContact CG2-CB 3.97Å; W425-F482 HydrophobicContact CD2-CE1 4.29Å; W425-F482 AromaticContact CE3-CD1 3.74Å; W425-F482 HydrophobicContact CE3-CD1 3.74Å; W425-F482 AromaticContact CE3-CE1 3.69Å; W425-F482 HydrophobicContact CE3-CE1 3.69Å; W425-F482 HydrophobicContact CH2-CE1 4.33Å; W425-F482 AromaticContact CZ3-CD1 3.65Å; W425-F482 HydrophobicContact CZ3-CD1 3.65Å; W425-F482 AromaticContact CZ3-CE1 3.72Å; W425-F482 HydrophobicContact CZ3-CE1 3.72Å; A478-F482 VanDerWaalsContact O-CD2 3.32Å; A478-F482 WeakPolarHBondContact O-CD2 3.2Å; A478-F482 PolarHBondContact O-N 3.11Å; I479-F482 WeakPolarHBondContact O-CB 3.49Å; I479-F482 PolarHBondContact O-N 3.49Å; L480-F482 VanDerWaalsContact C-N 3.35Å; L480-F482 PolarHBondContact O-N 3.32Å; F482-L484 VanDerWaalsContact C-N 3.33Å; F482-L484 PolarHBondContact O-N 2.93Å; F482-R485 PolarHBondContact O-N 3.34Å; F482-P486 WeakPolarHBondContact O-CD 3.5Å; F482-L503 HydrophobicContact CE2-CD1 3.78Å; F482-L503 HydrophobicContact CE2-CD2 4.32Å; F482-L503 HydrophobicContact CZ-CD1 3.87Å; F482-A507 HydrophobicContact CE1-CB 4.12Å; F482-A507 HydrophobicContact CZ-CB 4.01Å; F482-A507 WeakPolarHBondContact CZ-O 3.39Å; F482-Y510 HydrophobicContact CD1-CD1 4.11Å; F482-Y510 HydrophobicContact CD1-CE1 4.22Å; F482-Y510 AromaticContact CE1-CD1 3.63Å; F482-Y510 HydrophobicContact CE1-CD1 3.63Å; F482-Y510 HydrophobicContact CE1-CE1 4.21Å; F482-Y510 HydrophobicContact CZ-CD1 4.29Å; F482-F514 HydrophobicContact CD1-CZ 4.38Å; F482-F514 HydrophobicContact CD2-CE2 4.17Å; F482-F514 AromaticContact CD2-CZ 3.82Å; F482-F514 HydrophobicContact CD2-CZ 3.82Å; F482-F514 HydrophobicContact CE1-CZ 4.41Å; F482-F514 HydrophobicContact CE2-CE2 4.36Å; F482-F514 AromaticContact CE2-CZ 3.83Å; F482-F514 HydrophobicContact CE2-CZ 3.83Å; F482-F514 HydrophobicContact CG-CZ 4.1Å; F482-F514 HydrophobicContact CZ-CZ 4.14Å
483L95.4Very high96Very high11 Ų1126.2 Ų26.26%0.05814%0.142CC..Hα-helixtrans-70.9-28.6-172.4-46.3-172.8000112.8P417 V418 A435 E436 K439 I479 L480P417-L483 HydrophobicContact CG-CD1 4.23Å; P417-L483 HydrophobicContact CG-CD2 3.79Å; V418-L483 HydrophobicContact CG2-CD2 3.99Å; A435-L483 HydrophobicContact CB-CD1 4.05Å; E436-L483 HydrophobicContact CG-CD1 4.28Å; K439-L483 HydrophobicContact CD-CB 3.78Å; K439-L483 HydrophobicContact CD-CD1 4.27Å; I479-L483 PolarHBondContact O-N 2.89Å; L480-L483 PolarHBondContact O-N 3Å; L480-L483 VanDerWaalsContact O-N 3.15Å
484L95.9Very high96.1Very high1 Ų126.9 Ų26.91%0.00515%0.145CC..Hα-helixtrans-94.6-17.4179.1-64.8-178000114I394 K439 L442 L465 I467 L480 F482 P486 Q487 Y488 L491I394-L484 HydrophobicContact CD1-CD1 3.9Å; K439-L484 HydrophobicContact CD-CD2 4.47Å; K439-L484 HydrophobicContact CG-CD2 4.29Å; L442-L484 HydrophobicContact CD1-CD1 4.17Å; L465-L484 HydrophobicContact CD2-CD1 4.23Å; I467-L484 HydrophobicContact CD1-CD1 3.94Å; L480-L484 HydrophobicContact CD1-CD1 3.92Å; L480-L484 HydrophobicContact CD1-CG 4.01Å; L480-L484 HydrophobicContact CD2-CD1 4.37Å; L480-L484 HydrophobicContact CG-CD1 3.91Å; L480-L484 HydrophobicContact CG-CG 4.31Å; L480-L484 PolarHBondContact O-N 2.98Å; F482-L484 VanDerWaalsContact C-N 3.33Å; F482-L484 PolarHBondContact O-N 2.93Å; L484-P486 VanDerWaalsContact C-CD 3.46Å; L484-Q487 PolarHBondContact O-N 3Å; L484-Y488 HydrophobicContact CB-CD2 4.34Å; L484-Y488 PolarHBondContact O-N 2.79Å; L484-L491 HydrophobicContact CB-CD2 3.9Å
485R92.8Very high96.1Very high40 Ų4026.9 Ų26.915%0.15115%0.145CC..THydrogen-bonded Turntrans-60.1-33.1-177.7-164.5170.9-171.9-146.21.3115S481 F482 Q487 Y488 P489 L491 Y510 E513 F514S481-R485 VanDerWaalsContact O-CB 3.27Å; S481-R485 WeakPolarHBondContact O-CB 3.35Å; S481-R485 PolarHBondContact O-N 3.37Å; S481-R485 VanDerWaalsContact O-N 3.13Å; F482-R485 PolarHBondContact O-N 3.34Å; R485-Q487 VanDerWaalsContact C-N 3.25Å; R485-Q487 PolarHBondContact O-N 2.91Å; R485-Y488 CarbonylContact O-C 3.5Å; R485-Y488 VanDerWaalsContact O-C 3.28Å; R485-Y488 PolarHBondContact O-N 3.44Å; R485-P489 WeakPolarHBondContact O-CA 3.41Å; R485-L491 HydrophobicContact CB-CD2 4.1Å; R485-L491 HydrophobicContact CB-CG 4.42Å; R485-L491 HydrophobicContact CG-CG 4.49Å; R485-Y510 PolarHBondContact NH1-OH 3.04Å; R485-E513 IonicContact CZ-OE2 3.26Å; R485-E513 IonicContact NH1-OE2 2.73Å; R485-E513 PolarHBondContact NH1-OE2 3.46Å; R485-E513 IonicContact NH2-OE2 3.53Å; R485-E513 PolarHBondContact NH2-OE2 2.85Å; R485-F514 VanDerWaalsContact CZ-CD1 3.49Å; R485-F514 VanDerWaalsContact NH1-CD1 3.29Å
486P91.6Very high96.2Very high85 Ų8526.9 Ų26.955%0.55215%0.145SC*.THydrogen-bonded Turntrans-60-33172.4-26.435.9000113.7F482 L484F482-P486 WeakPolarHBondContact O-CD 3.5Å; L484-P486 VanDerWaalsContact C-CD 3.46Å
487Q91.6Very high96.2Very high100 Ų10026.9 Ų26.947%0.46715%0.145SC..THydrogen-bonded Turntrans-88.1-33177.3-61177.315.200112.1E443 L484 R485E443-Q487 PolarHBondContact OE1-NE2 3.46Å; L484-Q487 PolarHBondContact O-N 3Å; R485-Q487 VanDerWaalsContact C-N 3.25Å; R485-Q487 PolarHBondContact O-N 2.91Å
488Y94.5Very high96.1Very high57 Ų5726.9 Ų26.922%0.22415%0.145CC..  trans-128.475.3-177-56-88.8000111.4L448 F452 L465 L484 R485 T490 L491L448-Y488 HydrophobicContact CD1-CE2 3.86Å; F452-Y488 HydrophobicContact CD2-CE1 4.46Å; F452-Y488 HydrophobicContact CE2-CD1 4.41Å; F452-Y488 AromaticContact CE2-CE1 3.49Å; F452-Y488 HydrophobicContact CE2-CE1 3.49Å; F452-Y488 VanDerWaalsContact CE2-CE1 3.49Å; F452-Y488 AromaticContact CE2-CZ 3.96Å; F452-Y488 HydrophobicContact CZ-CD1 4.32Å; F452-Y488 AromaticContact CZ-CE1 3.82Å; F452-Y488 HydrophobicContact CZ-CE1 3.82Å; L465-Y488 HydrophobicContact CB-CD1 4.47Å; L465-Y488 HydrophobicContact CD2-CD1 4.32Å; L465-Y488 HydrophobicContact CD2-CD2 3.87Å; L465-Y488 HydrophobicContact CD2-CE2 4.47Å; L465-Y488 HydrophobicContact CD2-CG 3.81Å; L484-Y488 HydrophobicContact CB-CD2 4.34Å; L484-Y488 PolarHBondContact O-N 2.79Å; R485-Y488 CarbonylContact O-C 3.5Å; R485-Y488 VanDerWaalsContact O-C 3.28Å; R485-Y488 PolarHBondContact O-N 3.44Å; Y488-T490 PolarHBondContact O-N 3.2Å; Y488-L491 WeakPolarHBondContact O-CB 3.49Å; Y488-L491 VanDerWaalsContact O-CG 3.29Å; Y488-L491 WeakPolarHBondContact O-CG 3.49Å; Y488-L491 PolarHBondContact O-N 3.48Å
489P92.9Very high95.9Very high88 Ų8827.5 Ų27.557%0.57115%0.149SC*.THydrogen-bonded Turntrans-61.5-22.1-172.5-26.536.1000115.2R485R485-P489 WeakPolarHBondContact O-CA 3.41Å
490T94.5Very high95.5Very high115 Ų11527.5 Ų27.571%0.70615%0.149SC*.THydrogen-bonded Turntrans-95.712.4179.955.70000113.8Y488Y488-T490 PolarHBondContact O-N 3.2Å
491L97Very high95Very high6 Ų627.8 Ų27.83%0.03115%0.151CC..  trans-63.9154.317372.476.8000111.6L465 L484 R485 Y488 F514L465-L491 HydrophobicContact CB-CB 4.03Å; L465-L491 HydrophobicContact CD2-CB 4.26Å; L465-L491 HydrophobicContact CD2-CD2 4.31Å; L465-L491 HydrophobicContact CG-CB 4.33Å; L465-L491 WeakPolarHBondContact O-CA 3.3Å; L484-L491 HydrophobicContact CB-CD2 3.9Å; R485-L491 HydrophobicContact CB-CD2 4.1Å; R485-L491 HydrophobicContact CB-CG 4.42Å; R485-L491 HydrophobicContact CG-CG 4.49Å; Y488-L491 WeakPolarHBondContact O-CB 3.49Å; Y488-L491 VanDerWaalsContact O-CG 3.29Å; Y488-L491 WeakPolarHBondContact O-CG 3.49Å; Y488-L491 PolarHBondContact O-N 3.48Å; L491-F514 HydrophobicContact CD1-CB 4.37Å; L491-F514 HydrophobicContact CD1-CD2 3.9Å; L491-F514 HydrophobicContact CD1-CG 4.44Å
492H98.4Very high94.8Very high44 Ų4427.8 Ų27.820%0.20415%0.151CC..EExtended strand (participates in β ladder)trans-135.7145.3170.9-164.188.1000110.7L465 V466 I467 Y494 F514 T516L465-H492 PolarHBondContact O-N 3.46Å; V466-H492 VanDerWaalsContact CA-O 3.3Å; V466-H492 WeakPolarHBondContact CA-O 3.36Å; I467-H492 PolarHBondContact N-O 2.91Å; H492-Y494 AromaticContact CD2-CD2 3.94Å; H492-Y494 AromaticContact CD2-CE1 3.94Å; H492-Y494 AromaticContact CD2-CE2 3.53Å; H492-Y494 AromaticContact CD2-CZ 3.54Å; H492-Y494 AromaticContact NE2-CD1 3.78Å; H492-Y494 AromaticContact NE2-CE1 3.48Å; H492-Y494 WeakPolarHBondContact NE2-CE1 3.16Å; H492-Y494 AromaticContact NE2-CZ 3.84Å; H492-F514 CarbonylContact C-O 3.27Å; H492-F514 WeakPolarHBondContact CA-O 3.15Å; H492-F514 PolarHBondContact ND1-O 3.49Å; H492-T516 PolarHBondContact CE1-OG1 2.77Å; H492-T516 WeakPolarHBondContact NE2-CA 3.31Å; H492-T516 WeakPolarHBondContact NE2-CB 2.97Å; H492-T516 PolarHBondContact NE2-N 2.91Å; H492-T516 VanDerWaalsContact NE2-N 3.12Å; H492-T516 PolarHBondContact NE2-OG1 2.75Å
493C98.7Very high94.7Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-115.4135.3179.9-169.90000111.9I467 A477 S481 F514 V515 T516I467-C493 CarbonylContact O-C 3.54Å; I467-C493 VanDerWaalsContact O-CA 3.23Å; I467-C493 WeakPolarHBondContact O-CA 3.42Å; A477-C493 VanDerWaalsContact C-SG 3.58Å; S481-C493 WeakPolarHBondContact OG-CB 3.19Å; C493-F514 PolarHBondContact N-O 2.86Å; C493-V515 HydrophobicContact CB-CB 4.26Å; C493-V515 HydrophobicContact CB-CG1 4.1Å; C493-V515 HydrophobicContact CB-CG2 3.94Å; C493-T516 PolarHBondContact O-N 3.11Å
494Y98.7Very high94.6Very high14 Ų1427.4 Ų27.46%0.05515%0.151CC..EExtended strand (participates in β ladder)trans-114105.4169.4-63.5-84.3000110.2V292 Y295 V466 I467 V468 G469 H492 Y496 T516V292-Y494 HydrophobicContact CG2-CD1 3.98Å; V292-Y494 HydrophobicContact CG2-CE1 3.72Å; Y295-Y494 AromaticContact CD2-CD2 3.59Å; Y295-Y494 HydrophobicContact CD2-CD2 3.59Å; Y295-Y494 HydrophobicContact CD2-CE1 4.38Å; Y295-Y494 AromaticContact CD2-CE2 3.14Å; Y295-Y494 HydrophobicContact CD2-CE2 3.14Å; Y295-Y494 HydrophobicContact CD2-CG 4.36Å; Y295-Y494 AromaticContact CD2-CZ 3.6Å; Y295-Y494 HydrophobicContact CE2-CD2 4.39Å; Y295-Y494 AromaticContact CE2-CE2 3.61Å; Y295-Y494 HydrophobicContact CE2-CE2 3.61Å; Y295-Y494 AromaticContact CG-CD2 3.67Å; Y295-Y494 HydrophobicContact CG-CD2 3.67Å; Y295-Y494 AromaticContact CG-CE2 3.73Å; Y295-Y494 HydrophobicContact CG-CE2 3.73Å; Y295-Y494 HydrophobicContact CG-CG 4.39Å; V466-Y494 HydrophobicContact CG1-CD2 3.75Å; V466-Y494 HydrophobicContact CG1-CE2 3.97Å; I467-Y494 PolarHBondContact O-N 3.04Å; V468-Y494 WeakPolarHBondContact CA-O 3.34Å; V468-Y494 HydrophobicContact CG1-CD2 4.37Å; G469-Y494 PolarHBondContact N-O 3.48Å; H492-Y494 AromaticContact CD2-CD2 3.94Å; H492-Y494 AromaticContact CD2-CE1 3.94Å; H492-Y494 AromaticContact CD2-CE2 3.53Å; H492-Y494 AromaticContact CD2-CZ 3.54Å; H492-Y494 AromaticContact NE2-CD1 3.78Å; H492-Y494 AromaticContact NE2-CE1 3.48Å; H492-Y494 WeakPolarHBondContact NE2-CE1 3.16Å; H492-Y494 AromaticContact NE2-CZ 3.84Å; Y494-Y496 WeakPolarHBondContact CB-OH 3.28Å; Y494-Y496 WeakPolarHBondContact O-CE2 3.32Å; Y494-T516 WeakPolarHBondContact CA-O 2.97Å; Y494-T516 HydrophobicContact CD1-CG2 4.45Å
495S98.3Very high94.4Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-103.4107.1-175.6-73.90000110.4A474 P498 T516 S517 V518A474-S495 PolarHBondContact O-OG 3.09Å; S495-P498 WeakPolarHBondContact O-CD 3.3Å; S495-T516 PolarHBondContact N-O 3.25Å; S495-S517 CarbonylContact O-C 3.6Å; S495-S517 VanDerWaalsContact O-CA 3.23Å; S495-S517 WeakPolarHBondContact O-CA 2.81Å; S495-V518 PolarHBondContact O-N 3.02Å
496Y98.4Very high94.4Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-96.9120.9-178-57.7-88.3000110.9V292 Y295 M296 A299 G469 H470 S471 A474 Y494 V518 V657 L661V292-Y496 HydrophobicContact CG1-CE1 4.03Å; V292-Y496 WeakPolarHBondContact O-CE1 3.49Å; V292-Y496 PolarHBondContact O-OH 3.23Å; Y295-Y496 VanDerWaalsContact C-OH 3.31Å; Y295-Y496 WeakPolarHBondContact CB-OH 3.23Å; M296-Y496 HydrophobicContact CB-CD1 4.1Å; M296-Y496 HydrophobicContact CB-CE1 3.57Å; M296-Y496 HydrophobicContact CB-CE2 4.2Å; M296-Y496 HydrophobicContact CE-CD1 4.18Å; M296-Y496 HydrophobicContact CE-CG 3.98Å; M296-Y496 HydrophobicContact CG-CD1 3.9Å; M296-Y496 HydrophobicContact CG-CE1 3.91Å; M296-Y496 HydrophobicContact CG-CG 4.29Å; M296-Y496 PolarHBondContact N-OH 3.13Å; M296-Y496 HydrophobicContact SD-CD1 3.52Å; M296-Y496 VanDerWaalsContact SD-CD1 3.52Å; M296-Y496 HydrophobicContact SD-CD2 3.56Å; M296-Y496 VanDerWaalsContact SD-CD2 3.56Å; M296-Y496 HydrophobicContact SD-CE1 3.99Å; M296-Y496 HydrophobicContact SD-CE2 4.02Å; M296-Y496 HydrophobicContact SD-CG 3.3Å; A299-Y496 HydrophobicContact CB-CD2 3.92Å; A299-Y496 HydrophobicContact CB-CE2 4.25Å; G469-Y496 WeakPolarHBondContact O-CD2 3.27Å; G469-Y496 PolarHBondContact O-N 3.03Å; H470-Y496 CarbonylContact C-O 3.6Å; H470-Y496 VanDerWaalsContact CA-O 3.25Å; H470-Y496 WeakPolarHBondContact CA-O 3.39Å; H470-Y496 PolarHBondContact CD2-O 3.33Å; H470-Y496 VanDerWaalsContact CD2-O 3.31Å; S471-Y496 PolarHBondContact N-O 3.22Å; A474-Y496 WeakPolarHBondContact CB-O 3.33Å; Y494-Y496 WeakPolarHBondContact CB-OH 3.28Å; Y494-Y496 WeakPolarHBondContact O-CE2 3.32Å; Y496-V518 HydrophobicContact CD1-CB 3.78Å; Y496-V518 HydrophobicContact CD1-CG1 4.38Å; Y496-V518 HydrophobicContact CD1-CG2 3.72Å; Y496-V518 HydrophobicContact CE1-CB 4.31Å; Y496-V518 HydrophobicContact CE1-CG2 3.73Å; Y496-V657 HydrophobicContact CD1-CG1 4.48Å; Y496-L661 HydrophobicContact CD1-CD1 4.44Å; Y496-L661 HydrophobicContact CE1-CD1 4.16Å
497S97Very high94.6Very high0 Ų029.8 Ų29.80%016%0.159CC..SBendtrans48.751.5-173.7-67.70000114.2S471 V518 D523S471-S497 WeakPolarHBondContact CA-O 3.45Å; S497-V518 WeakPolarHBondContact CA-O 3.25Å; S497-V518 PolarHBondContact N-O 3.36Å; S497-D523 WeakPolarHBondContact CB-OD2 3.47Å; S497-D523 PolarHBondContact OG-OD2 3.22Å
498P96.4Very high94.7Very high0 Ų025.1 Ų25.10%014%0.137CC..  trans-65150.4178.330.2-35.1000111.1A474 S495 P526 P606A474-P498 HydrophobicContact CB-CB 3.94Å; S495-P498 WeakPolarHBondContact O-CD 3.3Å; P498-P526 VanDerWaalsContact O-CA 3.22Å; P498-P526 WeakPolarHBondContact O-CA 3.41Å; P498-P526 WeakPolarHBondContact O-CG 3.47Å; P498-P606 HydrophobicContact CB-CG 3.94Å; P498-P606 HydrophobicContact CG-CG 4.08Å
499P92.8Very high94.8Very high12 Ų1227.4 Ų27.48%0.07815%0.15CC..  trans-64.3147.3-179.226-33.2000112.2M431 L502 V525M431-P499 HydrophobicContact CE-CG 3.83Å; M431-P499 HydrophobicContact SD-CG 3.66Å; P499-L502 HydrophobicContact CG-CB 4.35Å; P499-L502 HydrophobicContact CG-CD1 4.05Å; P499-V525 WeakPolarHBondContact CA-O 3.48Å; P499-V525 HydrophobicContact CB-CG1 4.03Å
500G88.6Confident94.9Very high0 Ų026.6 Ų26.60%014%0.136CC..THydrogen-bonded Turntrans-66.2-39.7-178.800000112.8L502 V525 P526 L528 L603 Y604 P605G500-L502 VanDerWaalsContact C-N 3.28Å; G500-L502 PolarHBondContact O-N 3.41Å; G500-L502 VanDerWaalsContact O-N 3.17Å; G500-V525 PolarHBondContact N-O 3.34Å; G500-P526 WeakPolarHBondContact CA-O 3.36Å; G500-L528 CarbonylContact C-O 3.51Å; G500-L528 VanDerWaalsContact CA-O 3.32Å; G500-L528 WeakPolarHBondContact CA-O 3.31Å; G500-L528 PolarHBondContact N-O 3.19Å; G500-L603 CarbonylContact O-C 3.6Å; G500-Y604 CarbonylContact O-C 3.37Å; G500-Y604 WeakPolarHBondContact O-CA 3.26Å; G500-Y604 PolarHBondContact O-N 2.69Å; G500-P605 VanDerWaalsContact O-CD 3.3Å; G500-P605 WeakPolarHBondContact O-CD 3.38Å; G500-P605 VanDerWaalsContact O-N 3.08Å
501G88.4Confident95Very high6 Ų621.1 Ų21.16%0.06210%0.102CC..THydrogen-bonded Turntrans-84.641.9178.800000114.7L528 L603G501-L528 PolarHBondContact N-O 3.29Å; G501-L603 VanDerWaalsContact C-CB 3.41Å; G501-L603 VanDerWaalsContact O-CD1 3.22Å; G501-L603 WeakPolarHBondContact O-CD1 3.2Å
502L93.2Very high95Very high0 Ų022.9 Ų22.90%011%0.11CC..  trans-85.3-56.4-172.8-169.771.7000115.3G427 H428 M431 A478 I479 P499 G500 Y604 P606G427-L502 CarbonylContact C-O 3.53Å; G427-L502 WeakPolarHBondContact CA-O 3.36Å; H428-L502 HydrophobicContact CB-CD1 4.12Å; H428-L502 PolarHBondContact N-O 2.95Å; M431-L502 HydrophobicContact CB-CD1 4.26Å; M431-L502 HydrophobicContact CG-CD1 4.49Å; M431-L502 HydrophobicContact SD-CD1 3.5Å; M431-L502 VanDerWaalsContact SD-CD1 3.5Å; A478-L502 HydrophobicContact CB-CD2 3.91Å; I479-L502 HydrophobicContact CD1-CD1 3.85Å; I479-L502 HydrophobicContact CD1-CG 4.4Å; I479-L502 HydrophobicContact CG1-CD1 4.41Å; P499-L502 HydrophobicContact CG-CB 4.35Å; P499-L502 HydrophobicContact CG-CD1 4.05Å; G500-L502 VanDerWaalsContact C-N 3.28Å; G500-L502 PolarHBondContact O-N 3.41Å; G500-L502 VanDerWaalsContact O-N 3.17Å; L502-Y604 PolarHBondContact N-O 3.08Å; L502-P606 HydrophobicContact CD2-CB 4Å; L502-P606 HydrophobicContact CD2-CG 3.55Å
503L94.3Very high94.9Very high0 Ų025.9 Ų25.90%012%0.124CC..BIsolated β-bridgetrans-126.8148.5-167.3-64.7-178.9000113.1L416 L426 I479 F482 A507 M508 L603 Y604 P606L416-L503 HydrophobicContact CD1-CD2 4.33Å; L426-L503 WeakPolarHBondContact O-CA 3Å; I479-L503 HydrophobicContact CG1-CD2 4.07Å; F482-L503 HydrophobicContact CE2-CD1 3.78Å; F482-L503 HydrophobicContact CE2-CD2 4.32Å; F482-L503 HydrophobicContact CZ-CD1 3.87Å; L503-A507 HydrophobicContact CB-CB 4.14Å; L503-A507 HydrophobicContact CD1-CB 4.43Å; L503-A507 HydrophobicContact CD2-CB 4.47Å; L503-M508 HydrophobicContact CB-CB 4.24Å; L503-L603 CarbonylContact O-C 3.59Å; L503-L603 VanDerWaalsContact O-CA 3.24Å; L503-L603 WeakPolarHBondContact O-CA 3.32Å; L503-Y604 PolarHBondContact N-O 3.21Å; L503-Y604 PolarHBondContact O-N 3.47Å; L503-P606 HydrophobicContact CD1-CB 3.79Å
504S93.3Very high94.9Very high8 Ų826 Ų266%0.05613%0.125CC..  trans-64.3160.7166.962.40000111.7L426 D506 A507 M508L426-S504 PolarHBondContact N-OG 3.02Å; L426-S504 PolarHBondContact O-N 3.35Å; S504-D506 PolarHBondContact O-N 3.46Å; S504-A507 PolarHBondContact O-N 2.03Å; S504-A507 VanDerWaalsContact O-N 3.12Å; S504-M508 WeakPolarHBondContact O-CB 3.49Å; S504-M508 PolarHBondContact O-N 3.37Å
505E92.1Very high94.9Very high80 Ų8025.4 Ų25.437%0.37412%0.122SC..Hα-helixtrans-55.6-47.4-170.9-163161.713700113.5A507 M508 E509 Y604 K637E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 2.76Å; E505-M508 HydrophobicContact CG-CE 4.14Å; E505-M508 PolarHBondContact O-N 2.73Å; E505-E509 PolarHBondContact O-N 3.4Å; E505-Y604 HydrophobicContact CB-CD2 4.26Å; E505-Y604 HydrophobicContact CB-CE2 3.84Å; E505-Y604 HydrophobicContact CG-CE2 4.05Å; E505-Y604 WeakPolarHBondContact OE2-CE2 3.27Å; E505-Y604 PolarHBondContact OE2-OH 3.25Å; E505-K637 IonicContact OE1-NZ 3.04Å; E505-K637 PolarHBondContact OE1-NZ 3.26Å; E505-K637 WeakPolarHBondContact OE2-CE 3.49Å; E505-K637 IonicContact OE2-NZ 2.66Å; E505-K637 PolarHBondContact OE2-NZ 2.9Å
506D92.5Very high94.9Very high95 Ų9525.6 Ų25.651%0.50812%0.123SC..Hα-helixtrans-61.8-39.7178.6-55.1-29.6000112.5S504 E509 Y510S504-D506 PolarHBondContact O-N 3.46Å; D506-E509 PolarHBondContact O-N 3Å; D506-Y510 PolarHBondContact O-N 2.94Å; D506-Y510 VanDerWaalsContact O-N 3.07Å
507A94.2Very high94.9Very high0 Ų025.6 Ų25.60%012%0.123CC..Hα-helixtrans-71.3-41.2178.500000110.9L416 W425 F482 L503 S504 E505 E509 Y510 S511L416-A507 HydrophobicContact CD1-CB 4.33Å; W425-A507 HydrophobicContact CB-CB 4.03Å; W425-A507 HydrophobicContact CD2-CB 4.24Å; W425-A507 HydrophobicContact CG-CB 3.82Å; F482-A507 HydrophobicContact CE1-CB 4.12Å; F482-A507 HydrophobicContact CZ-CB 4.01Å; F482-A507 WeakPolarHBondContact CZ-O 3.39Å; L503-A507 HydrophobicContact CB-CB 4.14Å; L503-A507 HydrophobicContact CD1-CB 4.43Å; L503-A507 HydrophobicContact CD2-CB 4.47Å; S504-A507 PolarHBondContact O-N 2.03Å; S504-A507 VanDerWaalsContact O-N 3.12Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 2.76Å; A507-E509 VanDerWaalsContact C-N 3.33Å; A507-E509 PolarHBondContact O-N 3.34Å; A507-Y510 PolarHBondContact O-N 3.26Å; A507-S511 VanDerWaalsContact O-CB 3.32Å; A507-S511 WeakPolarHBondContact O-CB 3.38Å; A507-S511 PolarHBondContact O-N 3.45Å; A507-S511 PolarHBondContact O-OG 3.03Å
508M95.4Very high94.9Very high2 Ų225.7 Ų25.71%0.0112%0.124CC..Hα-helixtrans-57.3-46172.5175.6-76.7-57.400110.7L503 S504 E505 S511 K512 P605 N636L503-M508 HydrophobicContact CB-CB 4.24Å; S504-M508 WeakPolarHBondContact O-CB 3.49Å; S504-M508 PolarHBondContact O-N 3.37Å; E505-M508 HydrophobicContact CG-CE 4.14Å; E505-M508 PolarHBondContact O-N 2.73Å; M508-S511 PolarHBondContact O-N 3.23Å; M508-S511 PolarHBondContact O-OG 3.18Å; M508-K512 HydrophobicContact SD-CD 4.46Å; M508-K512 VanDerWaalsContact SD-CE 3.53Å; M508-P605 VanDerWaalsContact CG-O 3.3Å; M508-P605 WeakPolarHBondContact CG-O 3.44Å; M508-N636 HydrophobicContact CE-CB 4.3Å; M508-N636 HydrophobicContact CG-CB 3.91Å; M508-N636 HydrophobicContact SD-CB 3.54Å; M508-N636 VanDerWaalsContact SD-CB 3.54Å
509E95.4Very high95Very high105 Ų10525.7 Ų25.749%0.49112%0.124SC..Hα-helixtrans-64.3-48.6179.8-158.363.7-137.300111.6E505 D506 A507 S511 K512E505-E509 PolarHBondContact O-N 3.4Å; D506-E509 PolarHBondContact O-N 3Å; A507-E509 VanDerWaalsContact C-N 3.33Å; A507-E509 PolarHBondContact O-N 3.34Å; E509-S511 VanDerWaalsContact C-N 3.27Å; E509-S511 PolarHBondContact O-N 3.11Å; E509-K512 VanDerWaalsContact O-CB 3.3Å; E509-K512 WeakPolarHBondContact O-CB 3.06Å; E509-K512 PolarHBondContact O-N 3.07Å; E509-K512 VanDerWaalsContact O-N 3.14Å; E509-K512 WeakPolarHBondContact OE1-CD 3.1Å; E509-K512 IonicContact OE1-NZ 3.22Å; E509-K512 PolarHBondContact OE1-NZ 3.31Å; E509-K512 IonicContact OE2-NZ 3.42Å; E509-K512 PolarHBondContact OE2-NZ 3.23Å
510Y94.9Very high95.1Very high71 Ų7125.3 Ų25.328%0.27812%0.121SC..Hα-helixtrans-59.2-36.9175.8178.8-107.6000112.8W425 F482 R485 D506 A507 K512 E513 F514W425-Y510 AromaticContact CH2-CD1 3.21Å; W425-Y510 HydrophobicContact CH2-CD1 3.21Å; W425-Y510 HydrophobicContact CH2-CD2 4Å; W425-Y510 AromaticContact CH2-CE1 3.45Å; W425-Y510 HydrophobicContact CH2-CE1 3.45Å; W425-Y510 VanDerWaalsContact CH2-CE1 3.45Å; W425-Y510 HydrophobicContact CH2-CE2 4.2Å; W425-Y510 AromaticContact CH2-CG 3.5Å; W425-Y510 HydrophobicContact CH2-CG 3.5Å; W425-Y510 VanDerWaalsContact CH2-CG 3.5Å; W425-Y510 AromaticContact CH2-CZ 3.93Å; W425-Y510 AromaticContact CZ2-CD1 3.85Å; W425-Y510 HydrophobicContact CZ2-CD1 3.85Å; W425-Y510 HydrophobicContact CZ2-CD2 4.27Å; W425-Y510 HydrophobicContact CZ2-CE1 4.46Å; W425-Y510 AromaticContact CZ2-CG 3.72Å; W425-Y510 HydrophobicContact CZ2-CG 3.72Å; W425-Y510 AromaticContact CZ3-CD1 3.76Å; W425-Y510 HydrophobicContact CZ3-CD1 3.76Å; W425-Y510 AromaticContact CZ3-CE1 3.82Å; W425-Y510 HydrophobicContact CZ3-CE1 3.82Å; W425-Y510 HydrophobicContact CZ3-CG 4.45Å; F482-Y510 HydrophobicContact CD1-CD1 4.11Å; F482-Y510 HydrophobicContact CD1-CE1 4.22Å; F482-Y510 AromaticContact CE1-CD1 3.63Å; F482-Y510 HydrophobicContact CE1-CD1 3.63Å; F482-Y510 HydrophobicContact CE1-CE1 4.21Å; F482-Y510 HydrophobicContact CZ-CD1 4.29Å; R485-Y510 PolarHBondContact NH1-OH 3.04Å; D506-Y510 PolarHBondContact O-N 2.94Å; D506-Y510 VanDerWaalsContact O-N 3.07Å; A507-Y510 PolarHBondContact O-N 3.26Å; Y510-K512 PolarHBondContact O-N 2.97Å; Y510-K512 VanDerWaalsContact O-N 3.16Å; Y510-E513 PolarHBondContact O-N 3.29Å; Y510-F514 AromaticContact CD1-CE1 3.68Å; Y510-F514 HydrophobicContact CD1-CE1 3.68Å; Y510-F514 HydrophobicContact CD1-CZ 4.22Å; Y510-F514 AromaticContact CE1-CE1 3.57Å; Y510-F514 HydrophobicContact CE1-CE1 3.57Å; Y510-F514 HydrophobicContact CE1-CZ 4.15Å; Y510-F514 HydrophobicContact CG-CE1 4.49Å
511S96.8Very high95.3Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-63.8-19.8179.475.60000113.9A507 M508 E509 E513 F514 V515 G607A507-S511 VanDerWaalsContact O-CB 3.32Å; A507-S511 WeakPolarHBondContact O-CB 3.38Å; A507-S511 PolarHBondContact O-N 3.45Å; A507-S511 PolarHBondContact O-OG 3.03Å; M508-S511 PolarHBondContact O-N 3.23Å; M508-S511 PolarHBondContact O-OG 3.18Å; E509-S511 VanDerWaalsContact C-N 3.27Å; E509-S511 PolarHBondContact O-N 3.11Å; S511-E513 PolarHBondContact O-N 2.98Å; S511-F514 PolarHBondContact O-N 3.49Å; S511-V515 VanDerWaalsContact O-CB 3.31Å; S511-V515 WeakPolarHBondContact O-CB 3.34Å; S511-V515 WeakPolarHBondContact O-CG2 3.42Å; S511-V515 PolarHBondContact O-N 2.9Å; S511-G607 PolarHBondContact OG-N 3.06Å
512K97.3Very high95.3Very high44 Ų4427.4 Ų27.419%0.19113%0.128CC..THydrogen-bonded Turntrans-61.5-24.9176.2-72.9164.5174.2169.20113.3M508 E509 Y510 R608 N636M508-K512 HydrophobicContact SD-CD 4.46Å; M508-K512 VanDerWaalsContact SD-CE 3.53Å; E509-K512 VanDerWaalsContact O-CB 3.3Å; E509-K512 WeakPolarHBondContact O-CB 3.06Å; E509-K512 PolarHBondContact O-N 3.07Å; E509-K512 VanDerWaalsContact O-N 3.14Å; E509-K512 WeakPolarHBondContact OE1-CD 3.1Å; E509-K512 IonicContact OE1-NZ 3.22Å; E509-K512 PolarHBondContact OE1-NZ 3.31Å; E509-K512 IonicContact OE2-NZ 3.42Å; E509-K512 PolarHBondContact OE2-NZ 3.23Å; Y510-K512 PolarHBondContact O-N 2.97Å; Y510-K512 VanDerWaalsContact O-N 3.16Å; K512-R608 HydrophobicContact CB-CG 3.94Å; K512-R608 HydrophobicContact CG-CG 4.1Å; K512-R608 PolarHBondContact O-NE 3.42Å; K512-R608 PolarHBondContact O-NH2 3.28Å; K512-N636 WeakPolarHBondContact CE-OD1 3.39Å
513E96.8Very high95.2Very high106 Ų10627.4 Ų27.450%0.49513%0.128SC..THydrogen-bonded Turntrans-61.8-46.9176.5-67.1179-166.100111.8R485 Y510 S511 R608R485-E513 IonicContact CZ-OE2 3.26Å; R485-E513 IonicContact NH1-OE2 2.73Å; R485-E513 PolarHBondContact NH1-OE2 3.46Å; R485-E513 IonicContact NH2-OE2 3.53Å; R485-E513 PolarHBondContact NH2-OE2 2.85Å; Y510-E513 PolarHBondContact O-N 3.29Å; S511-E513 PolarHBondContact O-N 2.98Å; E513-R608 PolarHBondContact O-NH2 2.86Å
514F97.4Very high94.9Very high4 Ų428.7 Ų28.72%0.01814%0.135CC..THydrogen-bonded Turntrans-121.2-5.6-166.961.2-85000115.3F482 R485 L491 H492 C493 Y510 S511F482-F514 HydrophobicContact CD1-CZ 4.38Å; F482-F514 HydrophobicContact CD2-CE2 4.17Å; F482-F514 AromaticContact CD2-CZ 3.82Å; F482-F514 HydrophobicContact CD2-CZ 3.82Å; F482-F514 HydrophobicContact CE1-CZ 4.41Å; F482-F514 HydrophobicContact CE2-CE2 4.36Å; F482-F514 AromaticContact CE2-CZ 3.83Å; F482-F514 HydrophobicContact CE2-CZ 3.83Å; F482-F514 HydrophobicContact CG-CZ 4.1Å; F482-F514 HydrophobicContact CZ-CZ 4.14Å; R485-F514 VanDerWaalsContact CZ-CD1 3.49Å; R485-F514 VanDerWaalsContact NH1-CD1 3.29Å; L491-F514 HydrophobicContact CD1-CB 4.37Å; L491-F514 HydrophobicContact CD1-CD2 3.9Å; L491-F514 HydrophobicContact CD1-CG 4.44Å; H492-F514 CarbonylContact C-O 3.27Å; H492-F514 WeakPolarHBondContact CA-O 3.15Å; H492-F514 PolarHBondContact ND1-O 3.49Å; C493-F514 PolarHBondContact N-O 2.86Å; Y510-F514 AromaticContact CD1-CE1 3.68Å; Y510-F514 HydrophobicContact CD1-CE1 3.68Å; Y510-F514 HydrophobicContact CD1-CZ 4.22Å; Y510-F514 AromaticContact CE1-CE1 3.57Å; Y510-F514 HydrophobicContact CE1-CE1 3.57Å; Y510-F514 HydrophobicContact CE1-CZ 4.15Å; Y510-F514 HydrophobicContact CG-CE1 4.49Å; S511-F514 PolarHBondContact O-N 3.49Å
515V98.6Very high94.7Very high0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-111.5126.8176.5-171.30000110.4A478 C493 S511 P606 G607 R608A478-V515 HydrophobicContact CB-CG1 4.44Å; A478-V515 HydrophobicContact CB-CG2 4.47Å; C493-V515 HydrophobicContact CB-CB 4.26Å; C493-V515 HydrophobicContact CB-CG1 4.1Å; C493-V515 HydrophobicContact CB-CG2 3.94Å; S511-V515 VanDerWaalsContact O-CB 3.31Å; S511-V515 WeakPolarHBondContact O-CB 3.34Å; S511-V515 WeakPolarHBondContact O-CG2 3.42Å; S511-V515 PolarHBondContact O-N 2.9Å; V515-P606 HydrophobicContact CG1-CB 4.25Å; V515-P606 HydrophobicContact CG1-CG 4.39Å; V515-G607 CarbonylContact O-C 3.55Å; V515-G607 WeakPolarHBondContact O-CA 3.4Å; V515-R608 PolarHBondContact O-N 3.48Å
516T98.5Very high94.7Very high5 Ų525.6 Ų25.63%0.03112%0.122CC..EExtended strand (participates in β ladder)trans-106.2122.7163.9-59.70000108.6V292 H492 C493 Y494 S495 I610V292-T516 HydrophobicContact CG2-CG2 3.9Å; H492-T516 PolarHBondContact CE1-OG1 2.77Å; H492-T516 WeakPolarHBondContact NE2-CA 3.31Å; H492-T516 WeakPolarHBondContact NE2-CB 2.97Å; H492-T516 PolarHBondContact NE2-N 2.91Å; H492-T516 VanDerWaalsContact NE2-N 3.12Å; H492-T516 PolarHBondContact NE2-OG1 2.75Å; C493-T516 PolarHBondContact O-N 3.11Å; Y494-T516 WeakPolarHBondContact CA-O 2.97Å; Y494-T516 HydrophobicContact CD1-CG2 4.45Å; S495-T516 PolarHBondContact N-O 3.25Å; T516-I610 HydrophobicContact CG2-CD1 3.78Å; T516-I610 HydrophobicContact CG2-CG1 4.37Å
517S98.4Very high94.6Very high0 Ų021.3 Ų21.30%010%0.098CC..EExtended strand (participates in β ladder)trans-109.1144.1-178-680000110.9S495 P606 R608 I609 I610S495-S517 CarbonylContact O-C 3.6Å; S495-S517 VanDerWaalsContact O-CA 3.23Å; S495-S517 WeakPolarHBondContact O-CA 2.81Å; S517-P606 VanDerWaalsContact CB-O 3.3Å; S517-P606 WeakPolarHBondContact CB-O 3.07Å; S517-P606 PolarHBondContact OG-O 2.83Å; S517-R608 PolarHBondContact N-O 3.25Å; S517-I609 CarbonylContact O-C 3.58Å; S517-I609 WeakPolarHBondContact O-CA 3.3Å; S517-I610 PolarHBondContact O-N 3.28Å
518V98.3Very high94Very high1 Ų123.9 Ų23.91%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-118.4137175.5-179.50000109.5V292 S495 Y496 S497 I610 V657 L661V292-V518 HydrophobicContact CG1-CG2 3.37Å; S495-V518 PolarHBondContact O-N 3.02Å; Y496-V518 HydrophobicContact CD1-CB 3.78Å; Y496-V518 HydrophobicContact CD1-CG1 4.38Å; Y496-V518 HydrophobicContact CD1-CG2 3.72Å; Y496-V518 HydrophobicContact CE1-CB 4.31Å; Y496-V518 HydrophobicContact CE1-CG2 3.73Å; S497-V518 WeakPolarHBondContact CA-O 3.25Å; S497-V518 PolarHBondContact N-O 3.36Å; V518-I610 WeakPolarHBondContact CA-O 3.49Å; V518-V657 HydrophobicContact CG1-CG1 4.12Å; V518-L661 HydrophobicContact CG1-CD2 4.03Å; V518-L661 HydrophobicContact CG1-CG 4.48Å
519V97.3Very high93.2Very high1 Ų124.4 Ų24.41%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-129.1139.5168.6179.10000109.3D523 P526 I609 I610 H611 V612 F639V519-D523 HydrophobicContact CG1-CB 4.18Å; V519-P526 HydrophobicContact CB-CG 4.37Å; V519-P526 HydrophobicContact CG1-CB 4.19Å; V519-P526 HydrophobicContact CG1-CG 3.85Å; V519-P526 HydrophobicContact CG2-CB 3.85Å; V519-P526 HydrophobicContact CG2-CG 3.7Å; V519-I609 HydrophobicContact CG2-CG2 4.11Å; V519-I610 PolarHBondContact N-O 3.19Å; V519-H611 WeakPolarHBondContact O-CA 3.38Å; V519-H611 PolarHBondContact O-CD2 2.96Å; V519-H611 VanDerWaalsContact O-CD2 3.3Å; V519-V612 PolarHBondContact O-N 3.15Å; V519-F639 HydrophobicContact CB-CE1 4.15Å; V519-F639 HydrophobicContact CB-CZ 4.32Å; V519-F639 HydrophobicContact CG1-CE1 3.78Å; V519-F639 HydrophobicContact CG1-CZ 4.42Å; V519-F639 HydrophobicContact CG2-CE1 4.08Å; V519-F639 HydrophobicContact CG2-CZ 4.15Å
520L95.1Very high92.3Very high3 Ų321.9 Ų21.92%0.01611%0.107CC..EExtended strand (participates in β ladder)trans-105.2130.8174.3177.460.9000111.5K522 D523 V612 Y629 E651 M656 V657L520-K522 PolarHBondContact O-N 3.11Å; L520-D523 VanDerWaalsContact O-CB 3.23Å; L520-D523 WeakPolarHBondContact O-CB 3.27Å; L520-D523 PolarHBondContact O-N 3.04Å; L520-V612 HydrophobicContact CD1-CB 4.02Å; L520-V612 HydrophobicContact CD1-CG1 3.73Å; L520-Y629 HydrophobicContact CD1-CE1 4.13Å; L520-E651 HydrophobicContact CD2-CB 4.27Å; L520-E651 HydrophobicContact CD2-CG 4.48Å; L520-E651 HydrophobicContact CG-CB 4.25Å; L520-E651 HydrophobicContact CG-CG 4.5Å; L520-M656 HydrophobicContact CD2-CB 4.29Å; L520-M656 VanDerWaalsContact CD2-O 3.27Å; L520-M656 WeakPolarHBondContact CD2-O 3.3Å; L520-V657 HydrophobicContact CB-CG2 4.26Å
521G92.9Very high91.4Very high0 Ų020.8 Ų20.80%011%0.11CC..THydrogen-bonded Turntrans57-121.3160.500000114H611 V612G521-H611 PolarHBondContact O-CE1 2.98Å; G521-H611 PolarHBondContact O-NE2 3.45Å; G521-V612 PolarHBondContact N-O 2.8Å
522K89.5Confident90.7Very high50 Ų5021.6 Ų21.622%0.21711%0.114CC..THydrogen-bonded Turntrans-11132.3177.5-64.9162.4-169.2155.60111.2S267 L520 L524 I643 M648 E651S267-K522 WeakPolarHBondContact O-CE 3.45Å; S267-K522 WeakPolarHBondContact O-CG 3.49Å; L520-K522 PolarHBondContact O-N 3.11Å; K522-L524 PolarHBondContact O-N 3.14Å; K522-I643 HydrophobicContact CB-CG2 4.45Å; K522-I643 HydrophobicContact CD-CG2 4.02Å; K522-I643 HydrophobicContact CG-CB 4.49Å; K522-I643 HydrophobicContact CG-CG2 3.99Å; K522-M648 WeakPolarHBondContact O-CA 3.45Å; K522-M648 WeakPolarHBondContact O-CB 3.46Å; K522-E651 WeakPolarHBondContact CA-OE2 3.39Å; K522-E651 WeakPolarHBondContact CB-OE2 3.43Å; K522-E651 PolarHBondContact N-OE2 2.86Å
523D90.2Very high89.7Confident0 Ų021.8 Ų21.80%012%0.117CC..  trans-45.3128.8176-173.3-20.9000111.2S497 V519 L520 V525 P526 R527 H652S497-D523 WeakPolarHBondContact CB-OD2 3.47Å; S497-D523 PolarHBondContact OG-OD2 3.22Å; V519-D523 HydrophobicContact CG1-CB 4.18Å; L520-D523 VanDerWaalsContact O-CB 3.23Å; L520-D523 WeakPolarHBondContact O-CB 3.27Å; L520-D523 PolarHBondContact O-N 3.04Å; D523-V525 PolarHBondContact OD1-N 3.49Å; D523-P526 HydrophobicContact CB-CG 4.34Å; D523-P526 WeakPolarHBondContact OD1-CD 3.32Å; D523-R527 WeakPolarHBondContact O-CD 3.28Å; D523-H652 VanDerWaalsContact CG-ND1 3.29Å; D523-H652 VanDerWaalsContact OD1-CB 3.31Å; D523-H652 WeakPolarHBondContact OD1-CB 3.45Å; D523-H652 IonicContact OD1-CG 3.97Å; D523-H652 IonicContact OD1-ND1 2.81Å; D523-H652 PolarHBondContact OD1-ND1 3.35Å; D523-H652 WeakPolarHBondContact OD2-CA 3.43Å; D523-H652 IonicContact OD2-CE1 3.69Å; D523-H652 IonicContact OD2-CG 3.89Å; D523-H652 IonicContact OD2-ND1 2.7Å; D523-H652 PolarHBondContact OD2-ND1 3.46Å
524L87.4Confident88.8Confident28 Ų2818.9 Ų18.915%0.14710%0.103CC..SBendtrans-69.5-42.1-179.1-179.662.2000112.6K522 R527 L528 V642 M648 L649K522-L524 PolarHBondContact O-N 3.14Å; L524-R527 CarbonylContact O-C 3.51Å; L524-R527 WeakPolarHBondContact O-CA 3.46Å; L524-R527 WeakPolarHBondContact O-CB 3.3Å; L524-R527 PolarHBondContact O-N 3.11Å; L524-L528 HydrophobicContact CD1-CD2 4.01Å; L524-L528 HydrophobicContact CD1-CG 4.17Å; L524-L528 HydrophobicContact CD2-CD1 4.22Å; L524-L528 HydrophobicContact CG-CD1 3.93Å; L524-L528 HydrophobicContact CG-CD2 4.23Å; L524-L528 HydrophobicContact CG-CG 3.94Å; L524-L528 WeakPolarHBondContact O-CG 3.14Å; L524-L528 PolarHBondContact O-N 3.37Å; L524-V642 HydrophobicContact CD1-CG1 3.61Å; L524-M648 HydrophobicContact CB-CB 4.33Å; L524-M648 HydrophobicContact CB-CG 4.25Å; L524-M648 HydrophobicContact CD1-SD 4.46Å; L524-M648 HydrophobicContact CD2-CE 4.34Å; L524-M648 PolarHBondContact N-O 3.01Å; L524-L649 HydrophobicContact CB-CD2 4.49Å; L524-L649 HydrophobicContact CD2-CD2 3.56Å
525V90.5Very high88Confident23 Ų2319.6 Ų19.614%0.13911%0.111CC..G310 helixtrans-68.1-42.9-165.4169.40000113.2P499 G500 D523 R527 L528 H652P499-V525 WeakPolarHBondContact CA-O 3.48Å; P499-V525 HydrophobicContact CB-CG1 4.03Å; G500-V525 PolarHBondContact N-O 3.34Å; D523-V525 PolarHBondContact OD1-N 3.49Å; V525-R527 PolarHBondContact O-N 2.93Å; V525-L528 HydrophobicContact CG2-CD1 4.49Å; V525-L528 PolarHBondContact O-N 3.04Å; V525-H652 VanDerWaalsContact CB-CE1 3.45Å; V525-H652 WeakPolarHBondContact CB-CE1 3.34Å
526P92.1Very high87.2Confident0 Ų021 Ų210%012%0.118CC..G310 helixtrans-59.7-10.8169-24.835.7000114.6P498 G500 V519 D523 F639P498-P526 VanDerWaalsContact O-CA 3.22Å; P498-P526 WeakPolarHBondContact O-CA 3.41Å; P498-P526 WeakPolarHBondContact O-CG 3.47Å; G500-P526 WeakPolarHBondContact CA-O 3.36Å; V519-P526 HydrophobicContact CB-CG 4.37Å; V519-P526 HydrophobicContact CG1-CB 4.19Å; V519-P526 HydrophobicContact CG1-CG 3.85Å; V519-P526 HydrophobicContact CG2-CB 3.85Å; V519-P526 HydrophobicContact CG2-CG 3.7Å; D523-P526 HydrophobicContact CB-CG 4.34Å; D523-P526 WeakPolarHBondContact OD1-CD 3.32Å; P526-F639 HydrophobicContact CB-CD1 4.07Å; P526-F639 VanDerWaalsContact O-CB 3.23Å; P526-F639 WeakPolarHBondContact O-CB 3.44Å
527R89.5Confident86.4Confident4 Ų423 Ų232%0.01513%0.125CC..G310 helixtrans-109.93.4178.6-57.1172.2175.7-68.7-15.5112.9D523 L524 V525 Q532 G638 F639 E641 V642D523-R527 WeakPolarHBondContact O-CD 3.28Å; L524-R527 CarbonylContact O-C 3.51Å; L524-R527 WeakPolarHBondContact O-CA 3.46Å; L524-R527 WeakPolarHBondContact O-CB 3.3Å; L524-R527 PolarHBondContact O-N 3.11Å; V525-R527 PolarHBondContact O-N 2.93Å; R527-Q532 VanDerWaalsContact O-CB 3.29Å; R527-Q532 WeakPolarHBondContact O-CB 3.45Å; R527-G638 PolarHBondContact NH1-O 3.48Å; R527-F639 WeakPolarHBondContact CA-O 3.35Å; R527-F639 HydrophobicContact CG-CB 4.25Å; R527-F639 HydrophobicContact CG-CD1 4.1Å; R527-E641 VanDerWaalsContact CD-O 3.29Å; R527-E641 WeakPolarHBondContact CD-O 3.45Å; R527-E641 PolarHBondContact NH1-O 3.01Å; R527-V642 HydrophobicContact CB-CG2 4.49Å; R527-V642 WeakPolarHBondContact O-CG2 3.31Å
528L81.5Confident85.7Confident54 Ų5429.2 Ų29.228%0.28315%0.148SC..  trans-96.5136.6174.5-70.8-179.8000111.7G500 G501 L524 V525 L533G500-L528 CarbonylContact C-O 3.51Å; G500-L528 VanDerWaalsContact CA-O 3.32Å; G500-L528 WeakPolarHBondContact CA-O 3.31Å; G500-L528 PolarHBondContact N-O 3.19Å; G501-L528 PolarHBondContact N-O 3.29Å; L524-L528 HydrophobicContact CD1-CD2 4.01Å; L524-L528 HydrophobicContact CD1-CG 4.17Å; L524-L528 HydrophobicContact CD2-CD1 4.22Å; L524-L528 HydrophobicContact CG-CD1 3.93Å; L524-L528 HydrophobicContact CG-CD2 4.23Å; L524-L528 HydrophobicContact CG-CG 3.94Å; L524-L528 WeakPolarHBondContact O-CG 3.14Å; L524-L528 PolarHBondContact O-N 3.37Å; V525-L528 HydrophobicContact CG2-CD1 4.49Å; V525-L528 PolarHBondContact O-N 3.04Å; L528-L533 HydrophobicContact CD2-CD2 3.8Å; L528-L533 HydrophobicContact CD2-CG 4.15Å
529G78.3Confident85Confident13 Ų1331.4 Ų31.413%0.13416%0.158CC..SBendtrans176.6166.7175.800000107.8S531 Q532 L533G529-S531 PolarHBondContact O-N 2.89Å; G529-Q532 PolarHBondContact O-N 2.8Å; G529-Q532 PolarHBondContact O-OE1 3.3Å; G529-L533 WeakPolarHBondContact O-CB 3.37Å; G529-L533 WeakPolarHBondContact O-CG 3.19Å; G529-L533 PolarHBondContact O-N 2.71Å
530L77.2Confident84.4Confident52 Ų5231.5 Ų31.527%0.27216%0.159SC..Hα-helixtrans-59-48.9-172.4-71.9-175.4000112.9G411 Q532 L533 E534 L597G411-L530 WeakPolarHBondContact O-CD1 3.42Å; L530-Q532 PolarHBondContact O-N 3.01Å; L530-L533 WeakPolarHBondContact O-CB 3.28Å; L530-L533 PolarHBondContact O-N 3.37Å; L530-E534 PolarHBondContact O-N 2.92Å; L530-L597 HydrophobicContact CD2-CD2 4.49Å
531S76.3Confident83.8Confident49 Ų4933 Ų3334%0.34317%0.167SC..Hα-helixtrans-67.5-35.7-178.664.80000112.7G529 E534 G535G529-S531 PolarHBondContact O-N 2.89Å; S531-E534 PolarHBondContact O-N 3.01Å; S531-G535 PolarHBondContact O-N 3.33Å
532Q80.9Confident83.4Confident16 Ų1635.9 Ų35.98%0.07518%0.18CC..Hα-helixtrans-65.3-39.5172.8-60.787.1-16.300111.2R527 G529 L530 G535 F536 N640 V642R527-Q532 VanDerWaalsContact O-CB 3.29Å; R527-Q532 WeakPolarHBondContact O-CB 3.45Å; G529-Q532 PolarHBondContact O-N 2.8Å; G529-Q532 PolarHBondContact O-OE1 3.3Å; L530-Q532 PolarHBondContact O-N 3.01Å; Q532-G535 PolarHBondContact O-N 3.07Å; Q532-F536 WeakPolarHBondContact O-CB 3.47Å; Q532-F536 PolarHBondContact O-N 2.79Å; Q532-N640 WeakPolarHBondContact CG-O 3.44Å; Q532-V642 HydrophobicContact CB-CG2 4.43Å
533L77Confident83.2Confident48 Ų4834.2 Ų34.225%0.25117%0.174SC..Hα-helixtrans-68.7-38.3175.9-79.9170.3000112.5F225 L528 G529 L530 F536 R537F225-L533 HydrophobicContact CE2-CB 3.95Å; F225-L533 HydrophobicContact CE2-CD2 4.5Å; F225-L533 WeakPolarHBondContact CE2-O 3.37Å; F225-L533 HydrophobicContact CZ-CD2 4.47Å; F225-L533 WeakPolarHBondContact CZ-O 3.38Å; L528-L533 HydrophobicContact CD2-CD2 3.8Å; L528-L533 HydrophobicContact CD2-CG 4.15Å; G529-L533 WeakPolarHBondContact O-CB 3.37Å; G529-L533 WeakPolarHBondContact O-CG 3.19Å; G529-L533 PolarHBondContact O-N 2.71Å; L530-L533 WeakPolarHBondContact O-CB 3.28Å; L530-L533 PolarHBondContact O-N 3.37Å; L533-F536 HydrophobicContact CD2-CD1 4.48Å; L533-F536 PolarHBondContact O-N 3.15Å; L533-R537 WeakPolarHBondContact O-CB 3.3Å; L533-R537 PolarHBondContact O-N 2.95Å
534E77Confident83Confident45 Ų4534.3 Ų34.321%0.2117%0.174CC..Hα-helixtrans-61.6-46.5170.2-75.6-178.1-109.500111.9L530 S531 F536 R537 R538 L597 S598L530-E534 PolarHBondContact O-N 2.92Å; S531-E534 PolarHBondContact O-N 3.01Å; E534-F536 VanDerWaalsContact C-N 3.31Å; E534-F536 PolarHBondContact O-N 3.43Å; E534-R537 WeakPolarHBondContact O-CB 3.37Å; E534-R537 PolarHBondContact O-N 3.42Å; E534-R538 PolarHBondContact O-N 3.23Å; E534-L597 HydrophobicContact CG-CB 4.32Å; E534-L597 HydrophobicContact CG-CD2 3.8Å; E534-S598 PolarHBondContact OE1-N 3.01Å; E534-S598 WeakPolarHBondContact OE2-CB 3.3Å; E534-S598 PolarHBondContact OE2-OG 3.46Å
535G80.5Confident82.8Confident19 Ų1937.8 Ų37.820%0.19619%0.19CC..Hα-helixtrans-57.9-43.9174.700000112S531 Q532 R538 H539S531-G535 PolarHBondContact O-N 3.33Å; Q532-G535 PolarHBondContact O-N 3.07Å; G535-R538 PolarHBondContact O-N 2.85Å; G535-H539 PolarHBondContact O-N 3.21Å; G535-H539 PolarHBondContact O-ND1 3.48Å; G535-H539 VanDerWaalsContact O-ND1 3.13Å
536F83.1Confident82.5Confident30 Ų3043.7 Ų43.713%0.13221%0.214CC..Hα-helixtrans-62.8-46.3173.5170.5-108.1000112.3F225 L240 L243 Q532 L533 E534 R538 H539 L540 V642 I644F225-F536 HydrophobicContact CE1-CD1 4.49Å; F225-F536 HydrophobicContact CZ-CD1 4.09Å; L240-F536 HydrophobicContact CD2-CE2 3.78Å; L240-F536 HydrophobicContact CD2-CZ 3.75Å; L243-F536 HydrophobicContact CD2-CD2 3.83Å; L243-F536 HydrophobicContact CD2-CE2 3.81Å; Q532-F536 WeakPolarHBondContact O-CB 3.47Å; Q532-F536 PolarHBondContact O-N 2.79Å; L533-F536 HydrophobicContact CD2-CD1 4.48Å; L533-F536 PolarHBondContact O-N 3.15Å; E534-F536 VanDerWaalsContact C-N 3.31Å; E534-F536 PolarHBondContact O-N 3.43Å; F536-R538 VanDerWaalsContact C-N 3.31Å; F536-R538 PolarHBondContact O-N 2.76Å; F536-H539 PolarHBondContact O-N 3.17Å; F536-L540 HydrophobicContact CE1-CD2 4.31Å; F536-L540 HydrophobicContact CE2-CD1 4.37Å; F536-L540 HydrophobicContact CZ-CD1 4.24Å; F536-L540 HydrophobicContact CZ-CD2 4.11Å; F536-L540 VanDerWaalsContact O-CB 3.24Å; F536-L540 WeakPolarHBondContact O-CB 3.47Å; F536-L540 PolarHBondContact O-N 2.9Å; F536-V642 HydrophobicContact CB-CG2 4.29Å; F536-V642 HydrophobicContact CD2-CG1 4.46Å; F536-I644 HydrophobicContact CD2-CD1 4.27Å; F536-I644 HydrophobicContact CE2-CD1 3.85Å
537R81.3Confident82.1Confident46 Ų4644.2 Ų44.217%0.17422%0.218CC..Hα-helixtrans-54.5-47.5175.5-171.6175.5162.4174.5-4.9110.9F225 D228 L533 E534 L541F225-R537 HydrophobicContact CE1-CB 4.17Å; F225-R537 HydrophobicContact CE1-CG 4.28Å; F225-R537 HydrophobicContact CE2-CB 3.9Å; F225-R537 HydrophobicContact CE2-CG 4.4Å; F225-R537 HydrophobicContact CZ-CB 3.52Å; F225-R537 HydrophobicContact CZ-CG 4.06Å; F225-R537 WeakPolarHBondContact O-CD 3.42Å; F225-R537 PolarHBondContact O-NE 3.22Å; F225-R537 VanDerWaalsContact O-NE 3.15Å; F225-R537 PolarHBondContact O-NH1 2.99Å; D228-R537 IonicContact OD2-CZ 3.79Å; D228-R537 IonicContact OD2-NH1 3.91Å; D228-R537 IonicContact OD2-NH2 3.52Å; D228-R537 PolarHBondContact OD2-NH2 2.94Å; L533-R537 WeakPolarHBondContact O-CB 3.3Å; L533-R537 PolarHBondContact O-N 2.95Å; E534-R537 WeakPolarHBondContact O-CB 3.37Å; E534-R537 PolarHBondContact O-N 3.42Å; R537-L541 HydrophobicContact CG-CD1 4.32Å; R537-L541 VanDerWaalsContact O-CG 3.28Å; R537-L541 WeakPolarHBondContact O-CG 3.44Å; R537-L541 PolarHBondContact O-N 3.17Å; R537-L541 VanDerWaalsContact O-N 3.09Å
538R83.1Confident81.8Confident131 Ų13150.2 Ų50.249%0.49425%0.25SS..Hα-helixtrans-63-50.2179.6-175.2-178.553.161.96.9111.5E534 G535 F536 L540 L541 E542E534-R538 PolarHBondContact O-N 3.23Å; G535-R538 PolarHBondContact O-N 2.85Å; F536-R538 VanDerWaalsContact C-N 3.31Å; F536-R538 PolarHBondContact O-N 2.76Å; R538-L540 PolarHBondContact O-N 3.24Å; R538-L541 PolarHBondContact O-N 3.15Å; R538-E542 IonicContact NH1-OE2 3.57Å; R538-E542 WeakPolarHBondContact O-CB 3.31Å; R538-E542 PolarHBondContact O-N 3.03Å
539H84.1Confident81.9Confident48 Ų4850 Ų5022%0.22225%0.247CC..Hα-helixtrans-63.5-39.8178.8-68.9141.4000112.9L243 G535 F536 L541 E542 V543L243-H539 HydrophobicContact CD1-CB 3.89Å; L243-H539 HydrophobicContact CD2-CB 4.31Å; G535-H539 PolarHBondContact O-N 3.21Å; G535-H539 PolarHBondContact O-ND1 3.48Å; G535-H539 VanDerWaalsContact O-ND1 3.13Å; F536-H539 PolarHBondContact O-N 3.17Å; H539-L541 VanDerWaalsContact C-N 3.34Å; H539-L541 PolarHBondContact O-N 3.25Å; H539-E542 IonicContact CD2-OE2 2.76Å; H539-E542 PolarHBondContact O-N 3.44Å; H539-V543 PolarHBondContact O-N 3.35Å; H539-V543 VanDerWaalsContact O-N 3.08Å
540L84.3Confident82.2Confident2 Ų250.7 Ų50.71%0.0125%0.249CC..Hα-helixtrans-61-43.2176.9-172.573.6000111.4F226 I236 L240 F536 R538 V543 L544F226-L540 HydrophobicContact CE1-CD2 4.14Å; F226-L540 HydrophobicContact CZ-CD2 4.36Å; I236-L540 HydrophobicContact CG2-CD2 4.28Å; L240-L540 HydrophobicContact CG-CD1 4.44Å; F536-L540 HydrophobicContact CE1-CD2 4.31Å; F536-L540 HydrophobicContact CE2-CD1 4.37Å; F536-L540 HydrophobicContact CZ-CD1 4.24Å; F536-L540 HydrophobicContact CZ-CD2 4.11Å; F536-L540 VanDerWaalsContact O-CB 3.24Å; F536-L540 WeakPolarHBondContact O-CB 3.47Å; F536-L540 PolarHBondContact O-N 2.9Å; R538-L540 PolarHBondContact O-N 3.24Å; L540-V543 WeakPolarHBondContact O-CG2 3.43Å; L540-L544 HydrophobicContact CG-CD1 4.3Å; L540-L544 WeakPolarHBondContact O-CB 3.41Å; L540-L544 WeakPolarHBondContact O-CD1 3.39Å; L540-L544 WeakPolarHBondContact O-CG 3.44Å; L540-L544 PolarHBondContact O-N 2.69Å
541L83.1Confident82.7Confident36 Ų3648.4 Ų48.419%0.18824%0.237CC..Hα-helixtrans-67-40.6174.9-70.7172.1000112.6L229 I231 R537 R538 H539 L544 Q545L229-L541 HydrophobicContact CD1-CD1 4.05Å; L229-L541 HydrophobicContact CD1-CD2 3.83Å; L229-L541 HydrophobicContact CD1-CG 4.35Å; L229-L541 HydrophobicContact CD2-CD1 4.1Å; L229-L541 HydrophobicContact CD2-CD2 3.56Å; L229-L541 HydrophobicContact CD2-CG 4.48Å; L229-L541 HydrophobicContact CG-CD2 4.31Å; I231-L541 HydrophobicContact CD1-CD2 4.17Å; R537-L541 HydrophobicContact CG-CD1 4.32Å; R537-L541 VanDerWaalsContact O-CG 3.28Å; R537-L541 WeakPolarHBondContact O-CG 3.44Å; R537-L541 PolarHBondContact O-N 3.17Å; R537-L541 VanDerWaalsContact O-N 3.09Å; R538-L541 PolarHBondContact O-N 3.15Å; H539-L541 VanDerWaalsContact C-N 3.34Å; H539-L541 PolarHBondContact O-N 3.25Å; L541-L544 PolarHBondContact O-N 3.36Å; L541-Q545 WeakPolarHBondContact O-CB 3.16Å; L541-Q545 VanDerWaalsContact O-CG 3.26Å; L541-Q545 WeakPolarHBondContact O-CG 3.3Å; L541-Q545 PolarHBondContact O-N 2.83Å
542E85.3Confident82.9Confident59 Ų5950.4 Ų50.428%0.27624%0.237SC..Hα-helixtrans-60.5-48.3-179.9-167.3-16714800111.6R538 H539 L544 Q545 K546R538-E542 IonicContact NH1-OE2 3.57Å; R538-E542 WeakPolarHBondContact O-CB 3.31Å; R538-E542 PolarHBondContact O-N 3.03Å; H539-E542 IonicContact CD2-OE2 2.76Å; H539-E542 PolarHBondContact O-N 3.44Å; E542-L544 VanDerWaalsContact C-N 3.35Å; E542-L544 PolarHBondContact O-N 2.96Å; E542-Q545 PolarHBondContact O-N 3.29Å; E542-K546 HydrophobicContact CG-CD 4.22Å; E542-K546 WeakPolarHBondContact O-CB 3.46Å; E542-K546 WeakPolarHBondContact O-CG 3.26Å; E542-K546 PolarHBondContact O-N 2.96Å; E542-K546 IonicContact OE1-NZ 2.72Å; E542-K546 PolarHBondContact OE1-NZ 3.38Å
543V85.4Confident83.1Confident15 Ų1554.8 Ų54.89%0.09125%0.253CS..Hα-helixtrans-68.5-34.2177.9-59.10000112.3L242 L243 H539 L540 Q545 S547L242-V543 HydrophobicContact CB-CB 3.92Å; L242-V543 HydrophobicContact CB-CG2 3.77Å; L242-V543 HydrophobicContact CD1-CG2 4.44Å; L243-V543 HydrophobicContact CB-CG2 4.24Å; L243-V543 HydrophobicContact CD1-CG1 4.35Å; H539-V543 PolarHBondContact O-N 3.35Å; H539-V543 VanDerWaalsContact O-N 3.08Å; L540-V543 WeakPolarHBondContact O-CG2 3.43Å; V543-Q545 VanDerWaalsContact C-N 3.32Å; V543-Q545 PolarHBondContact O-N 3.29Å; V543-S547 WeakPolarHBondContact O-CB 3.3Å; V543-S547 PolarHBondContact O-N 2.68Å; V543-S547 VanDerWaalsContact O-N 3.14Å
544L84.3Confident83.4Confident2 Ų252.7 Ų52.71%0.0124%0.242CC..Hα-helixtrans-68.6-28.6174.4-78.3176.2000113.2M1 I85 L242 L540 L541 E542M1-L544 HydrophobicContact CE-CB 3.89Å; M1-L544 HydrophobicContact CE-CD2 4.24Å; M1-L544 HydrophobicContact CE-CG 4.49Å; I85-L544 HydrophobicContact CD1-CD2 3.57Å; L242-L544 HydrophobicContact CD1-CD2 4.3Å; L540-L544 HydrophobicContact CG-CD1 4.3Å; L540-L544 WeakPolarHBondContact O-CB 3.41Å; L540-L544 WeakPolarHBondContact O-CD1 3.39Å; L540-L544 WeakPolarHBondContact O-CG 3.44Å; L540-L544 PolarHBondContact O-N 2.69Å; L541-L544 PolarHBondContact O-N 3.36Å; E542-L544 VanDerWaalsContact C-N 3.35Å; E542-L544 PolarHBondContact O-N 2.96Å
545Q84.4Confident83.5Confident102 Ų10252.7 Ų52.748%0.47724%0.243SC..Hα-helixtrans-80.2-40.9174.8-73.7173.217.500112.5L86 L541 E542 V543 S547L86-Q545 HydrophobicContact CD1-CB 4.38Å; L86-Q545 HydrophobicContact CD1-CG 4.27Å; L541-Q545 WeakPolarHBondContact O-CB 3.16Å; L541-Q545 VanDerWaalsContact O-CG 3.26Å; L541-Q545 WeakPolarHBondContact O-CG 3.3Å; L541-Q545 PolarHBondContact O-N 2.83Å; E542-Q545 PolarHBondContact O-N 3.29Å; V543-Q545 VanDerWaalsContact C-N 3.32Å; V543-Q545 PolarHBondContact O-N 3.29Å; Q545-S547 VanDerWaalsContact C-N 3.27Å; Q545-S547 PolarHBondContact O-N 3.45Å
546K84.9Confident83.3Confident146 Ų14655.1 Ų55.164%0.63525%0.254SS*.Hα-helixtrans-71.1-17.9177.7-71.9176.2172.8177.30113.6E542 N548E542-K546 HydrophobicContact CG-CD 4.22Å; E542-K546 WeakPolarHBondContact O-CB 3.46Å; E542-K546 WeakPolarHBondContact O-CG 3.26Å; E542-K546 PolarHBondContact O-N 2.96Å; E542-K546 IonicContact OE1-NZ 2.72Å; E542-K546 PolarHBondContact OE1-NZ 3.38Å; K546-N548 PolarHBondContact O-N 2.88Å
547S83.7Confident82.5Confident12 Ų1254.1 Ų54.18%0.08425%0.252CS..  trans-79.7114.5-174.5-170.70000114.3V543 Q545 K549 I554V543-S547 WeakPolarHBondContact O-CB 3.3Å; V543-S547 PolarHBondContact O-N 2.68Å; V543-S547 VanDerWaalsContact O-N 3.14Å; Q545-S547 VanDerWaalsContact C-N 3.27Å; Q545-S547 PolarHBondContact O-N 3.45Å; S547-K549 PolarHBondContact OG-N 3.34Å; S547-I554 WeakPolarHBondContact OG-CD1 3.45Å
548N83.1Confident81.7Confident130 Ų13052.8 Ų52.870%0.69525%0.253SS*.  trans-87.9-8.2169.661.95.5000113.7S84 K546S84-N548 VanDerWaalsContact CB-O 3.28Å; S84-N548 WeakPolarHBondContact CB-O 3.39Å; K546-N548 PolarHBondContact O-N 2.88Å
549K83.5Confident80.6Confident48 Ų4851.8 Ų51.821%0.20926%0.261CS..SBendtrans-78.8149.6-176.3-64.5-178.1-179.4-179.30111.8S547 I554 E566S547-K549 PolarHBondContact OG-N 3.34Å; K549-I554 HydrophobicContact CB-CD1 3.98Å; K549-I554 HydrophobicContact CB-CG1 3.81Å; K549-I554 WeakPolarHBondContact O-CD1 3.49Å; K549-E566 PolarHBondContact NZ-O 3.29Å
550P84.8Confident78.9Confident29 Ų2957 Ų5719%0.18828%0.283CS..  trans-71.1144.6174.428.2-33.6000111.5G83 W552 R553 I554G83-P550 WeakPolarHBondContact O-CA 3.49Å; G83-P550 WeakPolarHBondContact O-CB 3.28Å; P550-W552 VanDerWaalsContact C-N 3.31Å; P550-W552 PolarHBondContact O-N 3.5Å; P550-R553 HydrophobicContact CG-CB 3.95Å; P550-R553 PolarHBondContact O-N 3.3Å; P550-R553 VanDerWaalsContact O-N 3.08Å; P550-I554 PolarHBondContact O-N 3.34Å
551K86Confident77.1Confident4 Ų460.9 Ų60.92%0.01731%0.31CS..Hα-helixtrans-53.6-41.7-173.8-178.2157.448.2-178.60113.7D16 D17 I85 S234 D235 A238 R553 I554 I555D16-K551 HydrophobicContact CB-CB 4.48Å; D16-K551 WeakPolarHBondContact OD1-CE 3.45Å; D16-K551 IonicContact OD1-NZ 2.83Å; D16-K551 PolarHBondContact OD1-NZ 3.1Å; D16-K551 WeakPolarHBondContact OD2-CE 3.33Å; D16-K551 IonicContact OD2-NZ 3.29Å; D17-K551 VanDerWaalsContact CG-NZ 3.3Å; D17-K551 WeakPolarHBondContact OD1-CE 3.31Å; D17-K551 IonicContact OD1-NZ 2.75Å; D17-K551 PolarHBondContact OD1-NZ 2.79Å; D17-K551 IonicContact OD2-NZ 3.18Å; D17-K551 PolarHBondContact OD2-NZ 2.92Å; I85-K551 HydrophobicContact CG1-CB 4.22Å; S234-K551 PolarHBondContact OG-NZ 2.98Å; D235-K551 IonicContact OD1-NZ 2.63Å; D235-K551 PolarHBondContact OD1-NZ 2.95Å; A238-K551 HydrophobicContact CB-CD 4.3Å; A238-K551 HydrophobicContact CB-CG 4.04Å; K551-R553 PolarHBondContact O-N 3.04Å; K551-I554 PolarHBondContact O-N 2.91Å; K551-I555 HydrophobicContact CD-CD1 4.46Å; K551-I555 HydrophobicContact CG-CD1 3.78Å; K551-I555 HydrophobicContact CG-CG1 4.47Å; K551-I555 WeakPolarHBondContact O-CG1 3.42Å; K551-I555 PolarHBondContact O-N 3.03Å
552W81.9Confident75.2Confident91 Ų9162.4 Ų62.435%0.34532%0.317SS..Hα-helixtrans-62.3-42.9178.772.5-94.8000112.6V19 M81 P550 I554 I555 V556V19-W552 HydrophobicContact CG1-CB 4.33Å; M81-W552 HydrophobicContact CG-CG 4.45Å; M81-W552 PolarHBondContact O-NE1 3.12Å; M81-W552 HydrophobicContact SD-CZ2 4.43Å; P550-W552 VanDerWaalsContact C-N 3.31Å; P550-W552 PolarHBondContact O-N 3.5Å; W552-I554 VanDerWaalsContact C-N 3.3Å; W552-I554 PolarHBondContact O-N 3.38Å; W552-I555 PolarHBondContact O-N 2.89Å; W552-V556 WeakPolarHBondContact O-CB 3.5Å; W552-V556 WeakPolarHBondContact O-CG2 3.42Å; W552-V556 PolarHBondContact O-N 3.5Å
553R84.1Confident72.9Confident108 Ų10863.8 Ų63.841%0.40833%0.331SS..Hα-helixtrans-69-31.8179.5-172.1176.3-179.3175.23111.4P550 K551 G557 E566P550-R553 HydrophobicContact CG-CB 3.95Å; P550-R553 PolarHBondContact O-N 3.3Å; P550-R553 VanDerWaalsContact O-N 3.08Å; K551-R553 PolarHBondContact O-N 3.04Å; R553-G557 WeakPolarHBondContact O-CA 3.45Å; R553-G557 PolarHBondContact O-N 3Å; R553-E566 IonicContact CZ-OE1 4Å; R553-E566 IonicContact CZ-OE2 3.67Å; R553-E566 IonicContact NE-OE2 2.73Å; R553-E566 IonicContact NH2-OE1 3.2Å; R553-E566 PolarHBondContact NH2-OE1 2.86Å; R553-E566 IonicContact NH2-OE2 3.8Å; R553-E566 PolarHBondContact NH2-OE2 3.07Å
554I83.3Confident70.8Confident4 Ų471.1 Ų71.12%0.02136%0.362CS..Hα-helixtrans-65.1-52.9173.2-64.7162.9000110I85 A238 V241 L242 S547 K549 P550 K551 W552 G557 G558I85-I554 HydrophobicContact CD1-CD1 3.78Å; I85-I554 HydrophobicContact CG1-CD1 4.12Å; A238-I554 HydrophobicContact CB-CG2 4.08Å; A238-I554 WeakPolarHBondContact O-CG2 3.48Å; V241-I554 HydrophobicContact CB-CG2 4.24Å; V241-I554 HydrophobicContact CG1-CG2 4.17Å; V241-I554 WeakPolarHBondContact CG1-O 3.16Å; L242-I554 HydrophobicContact CD1-CD1 4.2Å; L242-I554 HydrophobicContact CD1-CG2 4.39Å; L242-I554 HydrophobicContact CD2-CD1 4.29Å; L242-I554 HydrophobicContact CD2-CG1 4.22Å; L242-I554 HydrophobicContact CD2-CG2 4Å; L242-I554 HydrophobicContact CG-CD1 4.46Å; L242-I554 HydrophobicContact CG-CG2 3.75Å; S547-I554 WeakPolarHBondContact OG-CD1 3.45Å; K549-I554 HydrophobicContact CB-CD1 3.98Å; K549-I554 HydrophobicContact CB-CG1 3.81Å; K549-I554 WeakPolarHBondContact O-CD1 3.49Å; P550-I554 PolarHBondContact O-N 3.34Å; K551-I554 PolarHBondContact O-N 2.91Å; W552-I554 VanDerWaalsContact C-N 3.3Å; W552-I554 PolarHBondContact O-N 3.38Å; I554-G557 CarbonylContact O-C 3.59Å; I554-G557 WeakPolarHBondContact O-CA 3.44Å; I554-G557 PolarHBondContact O-N 3.33Å; I554-G557 VanDerWaalsContact O-N 3.13Å; I554-G558 PolarHBondContact O-N 3.27Å; I554-G558 VanDerWaalsContact O-N 3.1Å
555I78.6Confident68.5Low44 Ų4476.1 Ų76.123%0.22640%0.397CS..Hα-helixtrans-63.9-45.1-177.2-66.1171.3000111.1I237 A238 K551 W552 G557 G558I237-I555 HydrophobicContact CG2-CG1 4.42Å; A238-I555 HydrophobicContact CB-CD1 4.49Å; A238-I555 HydrophobicContact CB-CG1 4.23Å; K551-I555 HydrophobicContact CD-CD1 4.46Å; K551-I555 HydrophobicContact CG-CD1 3.78Å; K551-I555 HydrophobicContact CG-CG1 4.47Å; K551-I555 WeakPolarHBondContact O-CG1 3.42Å; K551-I555 PolarHBondContact O-N 3.03Å; W552-I555 PolarHBondContact O-N 2.89Å; I555-G557 VanDerWaalsContact C-N 3.3Å; I555-G557 PolarHBondContact O-N 2.8Å; I555-G558 WeakPolarHBondContact O-CA 3.47Å; I555-G558 PolarHBondContact O-N 3.01Å
556V77.4Confident66.3Low70 Ų7074.9 Ų74.942%0.42439%0.391SS..Hα-helixtrans-64.7-34.5173.7174.60000111.5W552 G558 T559W552-V556 WeakPolarHBondContact O-CB 3.5Å; W552-V556 WeakPolarHBondContact O-CG2 3.42Å; W552-V556 PolarHBondContact O-N 3.5Å; V556-G558 PolarHBondContact O-N 3.47Å; V556-T559 PolarHBondContact O-N 3.33Å; V556-T559 PolarHBondContact O-OG1 3.16Å; V556-T559 VanDerWaalsContact O-OG1 3.04Å
557G66.1Low64.4Low10 Ų1071 Ų7110%0.10338%0.377CS..THydrogen-bonded Turntrans-68.4-6.1170.700000115Q245 R553 I554 I555Q245-G557 PolarHBondContact NE2-O 2.74Å; Q245-G557 VanDerWaalsContact NE2-O 3.11Å; R553-G557 WeakPolarHBondContact O-CA 3.45Å; R553-G557 PolarHBondContact O-N 3Å; I554-G557 CarbonylContact O-C 3.59Å; I554-G557 WeakPolarHBondContact O-CA 3.44Å; I554-G557 PolarHBondContact O-N 3.33Å; I554-G557 VanDerWaalsContact O-N 3.13Å; I555-G557 VanDerWaalsContact C-N 3.3Å; I555-G557 PolarHBondContact O-N 2.8Å
558G64.9Low62.2Low18 Ų1874.1 Ų74.119%0.18640%0.397CS..THydrogen-bonded Turntrans-91.9-18.6170.800000114.5R244 I554 I555 V556R244-G558 PolarHBondContact NH1-O 2.93Å; I554-G558 PolarHBondContact O-N 3.27Å; I554-G558 VanDerWaalsContact O-N 3.1Å; I555-G558 WeakPolarHBondContact O-CA 3.47Å; I555-G558 PolarHBondContact O-N 3.01Å; V556-G558 PolarHBondContact O-N 3.47Å
559T59.5Low60.1Low110 Ų11072.9 Ų72.968%0.67539%0.394SS*.THydrogen-bonded Turntrans-100.2-7.6-172.763.20000114.5V556V556-T559 PolarHBondContact O-N 3.33Å; V556-T559 PolarHBondContact O-OG1 3.16Å; V556-T559 VanDerWaalsContact O-OG1 3.04Å
560K48.7Very low58.1Low157 Ų15776.8 Ų76.868%0.68341%0.413SS*.SBendtrans-124149.3172.2-69.9-172.5175.6-175.20111I562K560-I562 HydrophobicContact CB-CG1 4.11Å; K560-I562 PolarHBondContact O-N 3.33Å
561C45Very low55.7Low83 Ų8382.2 Ų82.256%0.56144%0.44SS*.  trans-75.476.2165.3-700000109.2E619C561-E619 PolarHBondContact SG-OE2 3.44Å
562I44.2Very low53.5Low68 Ų6889.6 Ų89.635%0.34948%0.48SS..  trans-65.9136.7174.7-56.4-171.5000108.4K560 E566K560-I562 HydrophobicContact CB-CG1 4.11Å; K560-I562 PolarHBondContact O-N 3.33Å; I562-E566 HydrophobicContact CG2-CB 3.55Å; I562-E566 HydrophobicContact CG2-CG 3.62Å
563P36.8Very low51Low88 Ų8891.8 Ų91.857%0.57150%0.499SS*.  trans-53.7157.7176.7-28.336.1000113.5S565 E566P563-S565 PolarHBondContact O-N 3.06Å; P563-E566 PolarHBondContact O-N 3.44Å
564K41.8Very low48.5Very low170 Ų17092.3 Ų92.374%0.73952%0.516SS*.G310 helixtrans-52.1-24.2-177.7-65.1-175.5178-175.50113.8E566 L567K564-E566 VanDerWaalsContact C-N 3.35Å; K564-E566 PolarHBondContact O-N 3.16Å; K564-L567 WeakPolarHBondContact O-CB 3.47Å; K564-L567 PolarHBondContact O-N 3.42Å
565S36.3Very low46.1Very low107 Ų10797.5 Ų97.575%0.74855%0.55SS**G310 helixtrans-71.3-8.6-177.953.50000116.9P563P563-S565 PolarHBondContact O-N 3.06Å
566E38.4Very low43.9Very low76 Ų76100.9 Ų100.936%0.35558%0.577SS.*G310 helixtrans-101.3-6170.8-78.6-132161.800114.2K549 R553 I562 P563 K564K549-E566 PolarHBondContact NZ-O 3.29Å; R553-E566 IonicContact CZ-OE1 4Å; R553-E566 IonicContact CZ-OE2 3.67Å; R553-E566 IonicContact NE-OE2 2.73Å; R553-E566 IonicContact NH2-OE1 3.2Å; R553-E566 PolarHBondContact NH2-OE1 2.86Å; R553-E566 IonicContact NH2-OE2 3.8Å; R553-E566 PolarHBondContact NH2-OE2 3.07Å; I562-E566 HydrophobicContact CG2-CB 3.55Å; I562-E566 HydrophobicContact CG2-CG 3.62Å; P563-E566 PolarHBondContact O-N 3.44Å; K564-E566 VanDerWaalsContact C-N 3.35Å; K564-E566 PolarHBondContact O-N 3.16Å
567L44.4Very low41.9Very low63 Ų63106 Ų10633%0.3360%0.597SS.*SBendtrans-60.8151.1171.4-66.9171.8000109.2Q245 K564 V569Q245-L567 HydrophobicContact CB-CD2 4.29Å; Q245-L567 HydrophobicContact CG-CD2 4.39Å; K564-L567 WeakPolarHBondContact O-CB 3.47Å; K564-L567 PolarHBondContact O-N 3.42Å; L567-V569 PolarHBondContact O-N 3.1Å
568P37.7Very low40.3Very low79 Ų79111.3 Ų111.351%0.51363%0.629SS.*  trans-60.4110.6160.7-9.926.1000106.7E570P568-E570 PolarHBondContact O-N 3.5Å
569V38.8Very low38.7Very low103 Ų103115 Ų11562%0.62466%0.659SS**  trans-60.9128.9155.9178.30000105.1L567 D571L567-V569 PolarHBondContact O-N 3.1Å; V569-D571 PolarHBondContact O-N 3.02Å
570E42.1Very low37.3Very low130 Ų130114 Ų11461%0.60766%0.661SS**  trans-72.8103.9159.5-69.8179.212700103.7P568 D572P568-E570 PolarHBondContact O-N 3.5Å; E570-D572 PolarHBondContact O-N 3.32Å
571D34.4Very low36.6Very low143 Ų143111.8 Ų111.877%0.76566%0.663SS**  trans-60.8106.1-179.3-72.2-46.5000108.2V569 D573V569-D571 PolarHBondContact O-N 3.02Å; D571-D573 PolarHBondContact O-N 3.13Å
572D38Very low36.3Very low160 Ų160114.5 Ų114.586%0.85668%0.68SS**SBendtrans-71.569.8178.1-83.8-46.7000110.7E570E570-D572 PolarHBondContact O-N 3.32Å
573D30.4Very low35.8Very low137 Ų137116.5 Ų116.573%0.73370%0.699SS**SBendtrans-174.8142.8141.4-103.3-32.3000110D571 P575D571-D573 PolarHBondContact O-N 3.13Å; D573-P575 WeakPolarHBondContact O-CD 3.49Å
574P31.4Very low35.5Very low118 Ų118117.7 Ų117.777%0.76671%0.71SS**  trans-75.2110.9178.629.4-32.8000111.2S576P574-S576 PolarHBondContact O-N 3.13Å
575P33.1Very low35.3Very low114 Ų114120 Ų12074%0.7471%0.714SS**  trans-66123.8176.827.9-34.4000110D573 Q577D573-P575 WeakPolarHBondContact O-CD 3.49Å; P575-Q577 PolarHBondContact O-N 3.26Å; P575-Q577 VanDerWaalsContact O-N 3.07Å
576S32.9Very low35.1Very low114 Ų114122.9 Ų122.980%0.79772%0.72SS**  trans-56.3112.4179.155.20000110.9P574 P578P574-S576 PolarHBondContact O-N 3.13Å; S576-P578 VanDerWaalsContact O-CD 3.3Å; S576-P578 WeakPolarHBondContact O-CD 3.5Å
577Q34.3Very low35Very low177 Ų177127.5 Ų127.583%0.82773%0.734SS**PPolyproline II helixtrans-65.8123.4-168.8-62.3-1806.600113.3P575P575-Q577 PolarHBondContact O-N 3.26Å; P575-Q577 VanDerWaalsContact O-N 3.07Å
578P33.5Very low34.5Very low122 Ų122130.9 Ų130.979%0.79275%0.752SS**PPolyproline II helixtrans-71.2125.9148.7-6.625.6000107.7S576 A580S576-P578 VanDerWaalsContact O-CD 3.3Å; S576-P578 WeakPolarHBondContact O-CD 3.5Å; P578-A580 PolarHBondContact O-N 2.94Å
579A30.6Very low34.3Very low97 Ų97132.3 Ų132.380%0.80275%0.752SS**PPolyproline II helixtrans-62.1118.4-171.100000113
580A31.3Very low34.3Very low88 Ų88132.7 Ų132.773%0.72776%0.756SS**PPolyproline II helixtrans-73.5142.1174.400000111.5P578P578-A580 PolarHBondContact O-N 2.94Å
581P32.3Very low34.3Very low110 Ų110128.5 Ų128.571%0.71474%0.741SS**PPolyproline II helixtrans-70.9144.6-173.727.7-35.2000113.2S583P581-S583 PolarHBondContact O-N 3.46Å
582P38.8Very low34.5Very low141 Ų141127.4 Ų127.492%0.91674%0.735SS**  trans-82.765.9-167.134.1-38.4000114.8
583S34.5Very low34.6Very low109 Ų109121.3 Ų121.376%0.76270%0.703SS**  trans-154.4138.5157.663.90000110.2P581P581-S583 PolarHBondContact O-N 3.46Å
584S30.1Very low35Very low113 Ų113117.9 Ų117.979%0.7969%0.689SS**  cis-139.4134.933.154.30000113.9L586S584-L586 PolarHBondContact O-N 2.86Å
585R38.8Very low35.4Very low220 Ų220118 Ų11883%0.8368%0.682SS**  trans-7698.4175.3-66.4177.2-179.4161.4-0.2110.7
586L31.6Very low35.8Very low167 Ų167115.6 Ų115.687%0.87467%0.672SS**  trans-93.3104.2163-16867000109.6S584 L588S584-L586 PolarHBondContact O-N 2.86Å; L586-L588 PolarHBondContact O-N 3.49Å
587W35.4Very low36.4Very low172 Ų172112.3 Ų112.365%0.65265%0.645SS**  trans-60.398.6-167.9-59.184.5000114.9H589W587-H589 AromaticContact CE3-CD2 3.74Å; W587-H589 AromaticContact CZ3-CD2 4Å; W587-H589 PolarHBondContact O-N 3.41Å
588L33.7Very low36.7Very low134 Ų134107 Ų10770%0.70263%0.627SS**  trans-74.596.4143.6-78.6166.5000107.4L586L586-L588 PolarHBondContact O-N 3.49Å
589H33.6Very low37.3Very low110 Ų110104.8 Ų104.851%0.50962%0.619SS.*  trans-101.6109172.6-149.1-68.3000107.3W587 S591W587-H589 AromaticContact CE3-CD2 3.74Å; W587-H589 AromaticContact CZ3-CD2 4Å; W587-H589 PolarHBondContact O-N 3.41Å; H589-S591 VanDerWaalsContact C-N 3.28Å; H589-S591 PolarHBondContact ND1-OG 3.28Å; H589-S591 PolarHBondContact O-N 2.91Å
590P40.5Very low38.7Very low111 Ų111102 Ų10272%0.72159%0.594SS**  trans-77.881.9-179.831.7-33.5000109.1
591S41.6Very low40.7Very low42 Ų42101 Ų10129%0.29458%0.579SS.*  trans-153.6105.1-176.4540000109.6H589H589-S591 VanDerWaalsContact C-N 3.28Å; H589-S591 PolarHBondContact ND1-OG 3.28Å; H589-S591 PolarHBondContact O-N 2.91Å
592D37.9Very low43Very low119 Ų11999 Ų9964%0.63657%0.566SS**SBendtrans148.6-20.2132-66.6-9.6000111.9
593L40.6Very low45.5Very low33 Ų3392.9 Ų92.917%0.17353%0.526CS..SBendtrans-120.7-22.1173-158.479.1000114.8E224 I595 A596 L597E224-L593 HydrophobicContact CG-CD2 3.8Å; E224-L593 WeakPolarHBondContact OE1-CD2 3.41Å; L593-I595 PolarHBondContact O-N 3.17Å; L593-A596 HydrophobicContact CD1-CB 3.98Å; L593-A596 HydrophobicContact CG-CB 4.47Å; L593-A596 PolarHBondContact O-N 3.28Å; L593-L597 HydrophobicContact CD2-CD1 3.9Å; L593-L597 HydrophobicContact CG-CD1 4.14Å; L593-L597 PolarHBondContact O-N 2.91Å
594S39.4Very low48.3Very low64 Ų6489.5 Ų89.545%0.44850%0.496SS..THydrogen-bonded Turntrans-72.230.2167.7640000113.1S598S594-S598 PolarHBondContact O-OG 3.19Å
595I38.2Very low51.4Low121 Ų12184.2 Ų84.262%0.62146%0.459SS*.THydrogen-bonded Turntrans-136.8-29.8178.6-58.7176.7000108L593 A599L593-I595 PolarHBondContact O-N 3.17Å; I595-A599 WeakPolarHBondContact O-CB 3.42Å
596A42.4Very low54.2Low63 Ų6373.7 Ų73.752%0.52142%0.42SS..THydrogen-bonded Turntrans-84.2-51.7172.900000112.4L593 A599L593-A596 HydrophobicContact CD1-CB 3.98Å; L593-A596 HydrophobicContact CG-CB 4.47Å; L593-A596 PolarHBondContact O-N 3.28Å; A596-A599 PolarHBondContact O-N 3Å
597L44.6Very low57.3Low45 Ų4565.8 Ų65.824%0.23638%0.378CS..G310 helixtrans-67.6-46.3178.3-109.789.7000111.4L530 E534 L593 A599 S600L530-L597 HydrophobicContact CD2-CD2 4.49Å; E534-L597 HydrophobicContact CG-CB 4.32Å; E534-L597 HydrophobicContact CG-CD2 3.8Å; L593-L597 HydrophobicContact CD2-CD1 3.9Å; L593-L597 HydrophobicContact CG-CD1 4.14Å; L593-L597 PolarHBondContact O-N 2.91Å; L597-A599 PolarHBondContact O-N 3.22Å; L597-S600 VanDerWaalsContact O-CB 3.28Å; L597-S600 WeakPolarHBondContact O-CB 3.43Å; L597-S600 PolarHBondContact O-N 3.18Å; L597-S600 PolarHBondContact O-OG 2.88Å
598S40.4Very low60.3Low65 Ų6562.7 Ų62.746%0.45537%0.367SS..G310 helixtrans-71.46.9-178.6-36.50000114.2E534 S594E534-S598 PolarHBondContact OE1-N 3.01Å; E534-S598 WeakPolarHBondContact OE2-CB 3.3Å; E534-S598 PolarHBondContact OE2-OG 3.46Å; S594-S598 PolarHBondContact O-OG 3.19Å
599A46.6Very low63.3Low76 Ų7656.4 Ų56.463%0.62833%0.333SS*.G310 helixtrans-97.9-2.9167.200000112.9I595 A596 L597 T601I595-A599 WeakPolarHBondContact O-CB 3.42Å; A596-A599 PolarHBondContact O-N 3Å; L597-A599 PolarHBondContact O-N 3.22Å; A599-T601 PolarHBondContact O-N 3.39Å
600S60.8Low66.3Low38 Ų3851.2 Ų51.227%0.26631%0.309SS..SBendtrans-65.9130.2177.157.20000111.7L597L597-S600 VanDerWaalsContact O-CB 3.28Å; L597-S600 WeakPolarHBondContact O-CB 3.43Å; L597-S600 PolarHBondContact O-N 3.18Å; L597-S600 PolarHBondContact O-OG 2.88Å
601T72.4Confident69Low69 Ų6945.9 Ų45.942%0.42328%0.275SS..PPolyproline II helixtrans-61.8134.7174.2-53.80000109.6L426 A599 L603L426-T601 HydrophobicContact CD1-CG2 4.4Å; A599-T601 PolarHBondContact O-N 3.39Å; T601-L603 PolarHBondContact O-N 3.06Å
602P81.8Confident71.6Confident66 Ų6644 Ų4443%0.42926%0.261SS..PPolyproline II helixtrans-63.3121.6175.225.9-33.7000110.2Y604P602-Y604 HydrophobicContact CB-CE2 4.41Å
603L89.9Confident74.3Confident14 Ų1438.3 Ų38.37%0.07323%0.231CC..  trans-106.8152174.4-56.8-179.5000110.1L426 G500 G501 L503 T601L426-L603 HydrophobicContact CB-CD2 4.4Å; G500-L603 CarbonylContact O-C 3.6Å; G501-L603 VanDerWaalsContact C-CB 3.41Å; G501-L603 VanDerWaalsContact O-CD1 3.22Å; G501-L603 WeakPolarHBondContact O-CD1 3.2Å; L503-L603 CarbonylContact O-C 3.59Å; L503-L603 VanDerWaalsContact O-CA 3.24Å; L503-L603 WeakPolarHBondContact O-CA 3.32Å; T601-L603 PolarHBondContact O-N 3.06Å
604Y93.8Very high76.5Confident37 Ų3737 Ų3715%0.14522%0.224CC..BIsolated β-bridgetrans-132154.6-170.1-58.3-80.5000112.2G500 L502 L503 E505 P602 K637G500-Y604 CarbonylContact O-C 3.37Å; G500-Y604 WeakPolarHBondContact O-CA 3.26Å; G500-Y604 PolarHBondContact O-N 2.69Å; L502-Y604 PolarHBondContact N-O 3.08Å; L503-Y604 PolarHBondContact N-O 3.21Å; L503-Y604 PolarHBondContact O-N 3.47Å; E505-Y604 HydrophobicContact CB-CD2 4.26Å; E505-Y604 HydrophobicContact CB-CE2 3.84Å; E505-Y604 HydrophobicContact CG-CE2 4.05Å; E505-Y604 WeakPolarHBondContact OE2-CE2 3.27Å; E505-Y604 PolarHBondContact OE2-OH 3.25Å; P602-Y604 HydrophobicContact CB-CE2 4.41Å; Y604-K637 HydrophobicContact CD1-CG 4.12Å; Y604-K637 HydrophobicContact CE1-CB 4.21Å; Y604-K637 HydrophobicContact CE1-CD 4.23Å; Y604-K637 HydrophobicContact CE1-CG 3.75Å
605P95.7Very high78.4Confident2 Ų237.7 Ų37.71%0.01322%0.223CC..  trans-66.9146.7172.927.2-33.8000111G500 M508 I609 N636 F639G500-P605 VanDerWaalsContact O-CD 3.3Å; G500-P605 WeakPolarHBondContact O-CD 3.38Å; G500-P605 VanDerWaalsContact O-N 3.08Å; M508-P605 VanDerWaalsContact CG-O 3.3Å; M508-P605 WeakPolarHBondContact CG-O 3.44Å; P605-I609 HydrophobicContact CB-CD1 4.21Å; P605-I609 HydrophobicContact CG-CD1 3.8Å; P605-N636 WeakPolarHBondContact CD-O 3.34Å; P605-N636 HydrophobicContact CG-CB 4.48Å; P605-N636 PolarHBondContact O-ND2 2.8Å; P605-F639 HydrophobicContact CG-CB 4.49Å; P605-F639 HydrophobicContact CG-CD2 4.15Å
606P97Very high79.9Confident0 Ų037.2 Ų37.20%022%0.218CC..  trans-78.3165.6-172.534.2-37.3000112.9A478 P498 L502 L503 V515 S517A478-P606 HydrophobicContact CB-CB 3.93Å; A478-P606 HydrophobicContact CB-CG 3.8Å; P498-P606 HydrophobicContact CB-CG 3.94Å; P498-P606 HydrophobicContact CG-CG 4.08Å; L502-P606 HydrophobicContact CD2-CB 4Å; L502-P606 HydrophobicContact CD2-CG 3.55Å; L503-P606 HydrophobicContact CD1-CB 3.79Å; V515-P606 HydrophobicContact CG1-CB 4.25Å; V515-P606 HydrophobicContact CG1-CG 4.39Å; S517-P606 VanDerWaalsContact CB-O 3.3Å; S517-P606 WeakPolarHBondContact CB-O 3.07Å; S517-P606 PolarHBondContact OG-O 2.83Å
607G97Very high80.6Confident0 Ų035.9 Ų35.90%020%0.204CC..SBendtrans73.9-176.616000000116.3S511 V515 N636S511-G607 PolarHBondContact OG-N 3.06Å; V515-G607 CarbonylContact O-C 3.55Å; V515-G607 WeakPolarHBondContact O-CA 3.4Å; G607-N636 PolarHBondContact O-ND2 3.24Å
608R97.4Very high81.1Confident108 Ų10839.3 Ų39.341%0.40823%0.229SC..EExtended strand (participates in β ladder)trans-78.6116.9167.3-76.5174.6-82.2166.4-7.4108.7K512 E513 V515 S517 W633K512-R608 HydrophobicContact CB-CG 3.94Å; K512-R608 HydrophobicContact CG-CG 4.1Å; K512-R608 PolarHBondContact O-NE 3.42Å; K512-R608 PolarHBondContact O-NH2 3.28Å; E513-R608 PolarHBondContact O-NH2 2.86Å; V515-R608 PolarHBondContact O-N 3.48Å; S517-R608 PolarHBondContact N-O 3.25Å; R608-W633 HydrophobicContact CB-CZ3 3.95Å
609I97.4Very high81.4Confident1 Ų142.7 Ų42.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-88.3126.6-174.7-59.4175.1000111.1S517 V519 P605 G634 N636 F639S517-I609 CarbonylContact O-C 3.58Å; S517-I609 WeakPolarHBondContact O-CA 3.3Å; V519-I609 HydrophobicContact CG2-CG2 4.11Å; P605-I609 HydrophobicContact CB-CD1 4.21Å; P605-I609 HydrophobicContact CG-CD1 3.8Å; I609-G634 PolarHBondContact O-N 3.21Å; I609-N636 HydrophobicContact CD1-CB 4.21Å; I609-F639 HydrophobicContact CD1-CD2 4.03Å; I609-F639 HydrophobicContact CD1-CE2 3.61Å; I609-F639 HydrophobicContact CD1-CZ 4.47Å; I609-F639 HydrophobicContact CG2-CE2 4.11Å; I609-F639 HydrophobicContact CG2-CZ 4.06Å
610I97.7Very high81.3Confident1 Ų143.7 Ų43.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-100.2106163.8-57.3172.1000106.7M288 Y289 V292 T516 S517 V518 V519 A631 W633M288-I610 HydrophobicContact CE-CD1 3.82Å; M288-I610 HydrophobicContact SD-CD1 3.63Å; Y289-I610 HydrophobicContact CD2-CG2 4.42Å; Y289-I610 HydrophobicContact CE2-CG2 3.97Å; V292-I610 HydrophobicContact CG2-CD1 4.01Å; T516-I610 HydrophobicContact CG2-CD1 3.78Å; T516-I610 HydrophobicContact CG2-CG1 4.37Å; S517-I610 PolarHBondContact O-N 3.28Å; V518-I610 WeakPolarHBondContact CA-O 3.49Å; V519-I610 PolarHBondContact N-O 3.19Å; I610-A631 HydrophobicContact CG2-CB 3.96Å; I610-W633 HydrophobicContact CD1-CH2 4.3Å; I610-W633 HydrophobicContact CD1-CZ3 4.33Å; I610-W633 HydrophobicContact CG1-CE3 4.13Å; I610-W633 HydrophobicContact CG1-CH2 4.05Å; I610-W633 HydrophobicContact CG1-CZ3 3.65Å
611H96.9Very high80.4Confident0 Ų048.3 Ų48.30%027%0.267CS..EExtended strand (participates in β ladder)trans-90.7112173.9-165.8173000108.5I269 V519 G521 V613 L632 F639I269-H611 VanDerWaalsContact CD1-CE1 3.47Å; I269-H611 WeakPolarHBondContact CD1-CE1 3.27Å; I269-H611 VanDerWaalsContact CD1-ND1 3.26Å; I269-H611 WeakPolarHBondContact CD1-ND1 3.42Å; V519-H611 WeakPolarHBondContact O-CA 3.38Å; V519-H611 PolarHBondContact O-CD2 2.96Å; V519-H611 VanDerWaalsContact O-CD2 3.3Å; G521-H611 PolarHBondContact O-CE1 2.98Å; G521-H611 PolarHBondContact O-NE2 3.45Å; H611-V613 PolarHBondContact O-N 2.81Å; H611-L632 HydrophobicContact CB-CD1 3.88Å; H611-L632 HydrophobicContact CB-CG 4.47Å; H611-L632 PolarHBondContact N-O 3.01Å; H611-L632 PolarHBondContact O-N 3.07Å; H611-F639 AromaticContact ND1-CZ 3.85Å
612V96.4Very high78.9Confident1 Ų151.3 Ų51.31%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-78.3104.9167.2178.40000107.7V519 L520 G521 Y629 L661 V664V519-V612 PolarHBondContact O-N 3.15Å; L520-V612 HydrophobicContact CD1-CB 4.02Å; L520-V612 HydrophobicContact CD1-CG1 3.73Å; G521-V612 PolarHBondContact N-O 2.8Å; V612-Y629 HydrophobicContact CG1-CD1 3.87Å; V612-L661 HydrophobicContact CG2-CD2 4.04Å; V612-V664 HydrophobicContact CG1-CG2 3.81Å
613V93.5Very high77.2Confident0 Ų050.2 Ų50.20%029%0.29CS..EExtended strand (participates in β ladder)trans-99.6161.6174.2-62.30000110.6L266 S267 H611 Y629 S630 L632L266-V613 HydrophobicContact CB-CB 4.01Å; L266-V613 HydrophobicContact CB-CG2 3.85Å; L266-V613 HydrophobicContact CD1-CG2 3.95Å; S267-V613 WeakPolarHBondContact OG-CA 3.38Å; H611-V613 PolarHBondContact O-N 2.81Å; V613-Y629 WeakPolarHBondContact O-CA 3.25Å; V613-S630 WeakPolarHBondContact CG2-O 3.4Å; V613-S630 PolarHBondContact N-O 3.45Å; V613-S630 PolarHBondContact O-N 2.93Å; V613-L632 HydrophobicContact CB-CD2 4.49Å; V613-L632 HydrophobicContact CG1-CD2 4Å; V613-L632 HydrophobicContact CG1-CG 4.32Å; V613-L632 HydrophobicContact CG2-CD2 3.65Å; V613-L632 HydrophobicContact CG2-CG 4.27Å
614H87.1Confident75.3Confident6 Ų658.6 Ų58.63%0.02833%0.329CS..EExtended strand (participates in β ladder)trans-130147.8171.148.859.6000111.4S267 H616 T628 Y629 E651S267-H614 PolarHBondContact N-O 3.07Å; S267-H614 PolarHBondContact OG-N 2.68Å; S267-H614 PolarHBondContact OG-ND1 3.21Å; S267-H614 PolarHBondContact OG-O 2.77Å; H614-H616 AromaticContact CE1-CE1 3.42Å; H614-H616 PolarHBondContact CE1-CE1 2.79Å; H614-H616 VanDerWaalsContact CE1-CE1 3.42Å; H614-H616 AromaticContact CE1-ND1 3.81Å; H614-H616 AromaticContact CG-CE1 3.97Å; H614-H616 AromaticContact ND1-CE1 3.35Å; H614-H616 PolarHBondContact ND1-CE1 2.77Å; H614-H616 AromaticContact ND1-ND1 3.32Å; H614-H616 PolarHBondContact ND1-ND1 3.36Å; H614-T628 CarbonylContact C-O 3.59Å; H614-T628 WeakPolarHBondContact CA-O 3.39Å; H614-Y629 HydrophobicContact CB-CD1 4.26Å; H614-Y629 HydrophobicContact CB-CD2 4.5Å; H614-Y629 HydrophobicContact CB-CE1 4.27Å; H614-Y629 HydrophobicContact CB-CE2 4.49Å; H614-Y629 HydrophobicContact CB-CG 4.38Å; H614-Y629 AromaticContact CD2-CE1 3.99Å; H614-E651 IonicContact CD2-OE1 3.44Å; H614-E651 IonicContact CE1-OE1 2.86Å; H614-E651 PolarHBondContact CE1-OE1 2.88Å; H614-E651 IonicContact NE2-OE1 2.66Å; H614-E651 PolarHBondContact NE2-OE1 2.85Å
615N80.1Confident73.6Confident79 Ų7963.9 Ų63.942%0.42236%0.355SS..EExtended strand (participates in β ladder)trans-94.6135.2160.9-164.222000108.9L266 P627 T628L266-N615 HydrophobicContact CD2-CB 3.64Å; N615-P627 VanDerWaalsContact O-CA 3.24Å; N615-P627 WeakPolarHBondContact O-CA 3.14Å; N615-P627 WeakPolarHBondContact O-CB 3.41Å; N615-T628 PolarHBondContact N-O 2.87Å; N615-T628 PolarHBondContact O-N 3.14Å
616H67.9Low72.2Confident110 Ų11070 Ų7051%0.50938%0.383SS..PPolyproline II helixtrans-99.2120.9164.8-76.942.7000106.9H614H614-H616 AromaticContact CE1-CE1 3.42Å; H614-H616 PolarHBondContact CE1-CE1 2.79Å; H614-H616 VanDerWaalsContact CE1-CE1 3.42Å; H614-H616 AromaticContact CE1-ND1 3.81Å; H614-H616 AromaticContact CG-CE1 3.97Å; H614-H616 AromaticContact ND1-CE1 3.35Å; H614-H616 PolarHBondContact ND1-CE1 2.77Å; H614-H616 AromaticContact ND1-ND1 3.32Å; H614-H616 PolarHBondContact ND1-ND1 3.36Å
617P58.6Low71.2Confident35 Ų3571.7 Ų71.723%0.22739%0.394CS..PPolyproline II helixtrans-57.9150.4171.221.5-27.5000109.9E619 E625P617-E619 PolarHBondContact O-N 3.3Å; P617-E625 HydrophobicContact CB-CB 4.44Å; P617-E625 HydrophobicContact CG-CB 3.75Å
618P53.9Low70.6Confident117 Ų11776 Ų7676%0.7642%0.421SS*.PPolyproline II helixtrans-60.6126.6-177.325.4-33.8000110.1T620P618-T620 PolarHBondContact O-N 3.17Å
619E46.8Very low70.3Confident136 Ų13672.6 Ų72.664%0.63641%0.408SS*.  trans-5993.1-173.9-68.2174.2-152.700112.3C561 P617C561-E619 PolarHBondContact SG-OE2 3.44Å; P617-E619 PolarHBondContact O-N 3.3Å
620T44.8Very low70.1Confident98 Ų9874.5 Ų74.560%0.60142%0.422SS*.BIsolated β-bridgetrans-78138.8165.145.90000109.1P618 C622 G623P618-T620 PolarHBondContact O-N 3.17Å; T620-C622 PolarHBondContact O-N 3.22Å; T620-G623 PolarHBondContact OG1-O 3.09Å
621C41.8Very low69.9Low135 Ų13574.7 Ų74.791%0.91242%0.423SS*.THydrogen-bonded Turntrans-67-7.4-173.1-59.60000114.8
622C42Very low69.9Low131 Ų13175 Ų7589%0.88543%0.425SS*.THydrogen-bonded Turntrans-140.457.2-175.2-59.40000111.5T620T620-C622 PolarHBondContact O-N 3.22Å
623G46.2Very low69.8Low44 Ų4477.7 Ų77.745%0.45444%0.435SS..BIsolated β-bridgetrans157.6118.2171.900000111.9T620T620-G623 PolarHBondContact OG1-O 3.09Å
624Q49.5Very low69.8Low189 Ų18978.5 Ų78.588%0.88344%0.443SS*.  trans-99.998.4165.3-71.7-172-15.500108.1
625E58Low70Confident148 Ų14882.5 Ų82.569%0.69247%0.465SS*.PPolyproline II helixtrans-59.1139.9159.1-73.2178.3166.300108.8P617P617-E625 HydrophobicContact CB-CB 4.44Å; P617-E625 HydrophobicContact CG-CB 3.75Å
626E65.8Low70.7Confident130 Ų13079 Ų7961%0.60745%0.446SS*.PPolyproline II helixtrans-64.5136.9179-72.2-143.3141.500110.8T628 K663E626-T628 PolarHBondContact O-N 2.79Å; E626-K663 VanDerWaalsContact OE2-CE 3.23Å; E626-K663 WeakPolarHBondContact OE2-CE 3.46Å; E626-K663 IonicContact OE2-NZ 2.62Å; E626-K663 PolarHBondContact OE2-NZ 3.29Å
627P77Confident71.8Confident37 Ų3777.6 Ų77.624%0.2444%0.439CS..PPolyproline II helixtrans-63.1130.9179.124.2-31.9000110.6N615 Y629N615-P627 VanDerWaalsContact O-CA 3.24Å; N615-P627 WeakPolarHBondContact O-CA 3.14Å; N615-P627 WeakPolarHBondContact O-CB 3.41Å; P627-Y629 HydrophobicContact CB-CE2 4.45Å; P627-Y629 HydrophobicContact CG-CE2 4.08Å; P627-Y629 WeakPolarHBondContact O-CD2 3.35Å; P627-Y629 VanDerWaalsContact O-CE2 3.3Å; P627-Y629 WeakPolarHBondContact O-CE2 3.28Å
628T83.6Confident73.3Confident90 Ų9077.4 Ų77.455%0.55244%0.443SS*.EExtended strand (participates in β ladder)trans-79.4132.2178.852.30000110.4H614 N615 E626H614-T628 CarbonylContact C-O 3.59Å; H614-T628 WeakPolarHBondContact CA-O 3.39Å; N615-T628 PolarHBondContact N-O 2.87Å; N615-T628 PolarHBondContact O-N 3.14Å; E626-T628 PolarHBondContact O-N 2.79Å
629Y91.6Very high75Confident36 Ų3671.9 Ų71.914%0.14141%0.407CS..EExtended strand (participates in β ladder)trans-100.8150.2-179.3-73.4-108.7000110.8L520 V612 V613 H614 P627 K663L520-Y629 HydrophobicContact CD1-CE1 4.13Å; V612-Y629 HydrophobicContact CG1-CD1 3.87Å; V613-Y629 WeakPolarHBondContact O-CA 3.25Å; H614-Y629 HydrophobicContact CB-CD1 4.26Å; H614-Y629 HydrophobicContact CB-CD2 4.5Å; H614-Y629 HydrophobicContact CB-CE1 4.27Å; H614-Y629 HydrophobicContact CB-CE2 4.49Å; H614-Y629 HydrophobicContact CB-CG 4.38Å; H614-Y629 AromaticContact CD2-CE1 3.99Å; P627-Y629 HydrophobicContact CB-CE2 4.45Å; P627-Y629 HydrophobicContact CG-CE2 4.08Å; P627-Y629 WeakPolarHBondContact O-CD2 3.35Å; P627-Y629 VanDerWaalsContact O-CE2 3.3Å; P627-Y629 WeakPolarHBondContact O-CE2 3.28Å; Y629-K663 HydrophobicContact CD1-CB 4.19Å; Y629-K663 HydrophobicContact CD2-CB 3.58Å; Y629-K663 HydrophobicContact CD2-CD 3.61Å; Y629-K663 HydrophobicContact CD2-CG 4.19Å; Y629-K663 HydrophobicContact CE2-CB 4.06Å; Y629-K663 HydrophobicContact CE2-CD 3.35Å; Y629-K663 HydrophobicContact CE2-CG 4.24Å; Y629-K663 HydrophobicContact CG-CB 3.66Å
630S92.6Very high76.9Confident42 Ų4270.9 Ų70.929%0.29441%0.406SS..EExtended strand (participates in β ladder)trans-153.3141.9176.6-65.90000110.5V613V613-S630 WeakPolarHBondContact CG2-O 3.4Å; V613-S630 PolarHBondContact N-O 3.45Å; V613-S630 PolarHBondContact O-N 2.93Å
631A94.8Very high78.8Confident5 Ų569.3 Ų69.34%0.04139%0.392CS..EExtended strand (participates in β ladder)trans-94.6134.417200000110.5L278 Y289 I610 V664L278-A631 HydrophobicContact CB-CB 3.9Å; L278-A631 HydrophobicContact CD2-CB 3.86Å; L278-A631 PolarHBondContact N-O 3.26Å; Y289-A631 HydrophobicContact CE2-CB 3.78Å; I610-A631 HydrophobicContact CG2-CB 3.96Å; A631-V664 HydrophobicContact CB-CG1 4.1Å
632L94.9Very high81Confident7 Ų763.4 Ų63.44%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-133.5153.9172.16082.5000111T275 Y277 H611 V613 G634T275-L632 HydrophobicContact CG2-CD2 4.09Å; Y277-L632 HydrophobicContact CD1-CB 4.43Å; H611-L632 HydrophobicContact CB-CD1 3.88Å; H611-L632 HydrophobicContact CB-CG 4.47Å; H611-L632 PolarHBondContact N-O 3.01Å; H611-L632 PolarHBondContact O-N 3.07Å; V613-L632 HydrophobicContact CB-CD2 4.49Å; V613-L632 HydrophobicContact CG1-CD2 4Å; V613-L632 HydrophobicContact CG1-CG 4.32Å; V613-L632 HydrophobicContact CG2-CD2 3.65Å; V613-L632 HydrophobicContact CG2-CG 4.27Å; L632-G634 PolarHBondContact O-N 3.39Å
633W95.3Very high83.2Confident57 Ų5757.5 Ų57.522%0.21631%0.311CS..EExtended strand (participates in β ladder)trans-76116174.7-70.1102.3000109.3R276 L278 M288 R608 I610R276-W633 PolarHBondContact O-N 2.86Å; L278-W633 HydrophobicContact CD1-CH2 4.41Å; L278-W633 HydrophobicContact CD1-CZ2 3.46Å; L278-W633 VanDerWaalsContact CD1-CZ2 3.46Å; M288-W633 HydrophobicContact CE-CH2 3.8Å; M288-W633 HydrophobicContact CE-CZ2 3.86Å; R608-W633 HydrophobicContact CB-CZ3 3.95Å; I610-W633 HydrophobicContact CD1-CH2 4.3Å; I610-W633 HydrophobicContact CD1-CZ3 4.33Å; I610-W633 HydrophobicContact CG1-CE3 4.13Å; I610-W633 HydrophobicContact CG1-CH2 4.05Å; I610-W633 HydrophobicContact CG1-CZ3 3.65Å
634G92.5Very high85Confident17 Ų1756.2 Ų56.218%0.17529%0.293CS..EExtended strand (participates in β ladder)trans-91.1146.1-178.900000112.7I609 L632I609-G634 PolarHBondContact O-N 3.21Å; L632-G634 PolarHBondContact O-N 3.39Å
635D92.9Very high86.5Confident90 Ų9048 Ų4848%0.48126%0.257SS..  trans-84130.4167.3168.726.3000110.3K637 G638 F639D635-K637 PolarHBondContact O-N 2.79Å; D635-K637 PolarHBondContact OD1-N 2.81Å; D635-K637 WeakPolarHBondContact OD2-CB 3.29Å; D635-G638 PolarHBondContact O-N 2.74Å; D635-F639 WeakPolarHBondContact O-CD2 3.38Å; D635-F639 VanDerWaalsContact O-CE2 3.3Å; D635-F639 WeakPolarHBondContact O-CE2 3.41Å
636N94.1Very high87.2Confident6 Ų645.6 Ų45.63%0.03225%0.254CS..G310 helixtrans-54.9-32.3175.1-53.475.8000112.5M508 K512 P605 G607 I609M508-N636 HydrophobicContact CE-CB 4.3Å; M508-N636 HydrophobicContact CG-CB 3.91Å; M508-N636 HydrophobicContact SD-CB 3.54Å; M508-N636 VanDerWaalsContact SD-CB 3.54Å; K512-N636 WeakPolarHBondContact CE-OD1 3.39Å; P605-N636 WeakPolarHBondContact CD-O 3.34Å; P605-N636 HydrophobicContact CG-CB 4.48Å; P605-N636 PolarHBondContact O-ND2 2.8Å; G607-N636 PolarHBondContact O-ND2 3.24Å; I609-N636 HydrophobicContact CD1-CB 4.21Å
637K91.6Very high87.5Confident80 Ų8040.8 Ų40.835%0.34824%0.237SC..G310 helixtrans-79.8-15.1177.8-50.6-166.3-178.8-169.20113.5E505 Y604 D635 F639E505-K637 IonicContact OE1-NZ 3.04Å; E505-K637 PolarHBondContact OE1-NZ 3.26Å; E505-K637 WeakPolarHBondContact OE2-CE 3.49Å; E505-K637 IonicContact OE2-NZ 2.66Å; E505-K637 PolarHBondContact OE2-NZ 2.9Å; Y604-K637 HydrophobicContact CD1-CG 4.12Å; Y604-K637 HydrophobicContact CE1-CB 4.21Å; Y604-K637 HydrophobicContact CE1-CD 4.23Å; Y604-K637 HydrophobicContact CE1-CG 3.75Å; D635-K637 PolarHBondContact O-N 2.79Å; D635-K637 PolarHBondContact OD1-N 2.81Å; D635-K637 WeakPolarHBondContact OD2-CB 3.29Å; K637-F639 PolarHBondContact O-N 3.45Å; K637-F639 VanDerWaalsContact O-N 3.16Å
638G88.9Confident87.6Confident30 Ų3040.3 Ų40.331%0.30923%0.232SC..G310 helixtrans-71.80.4179.100000116R527 D635R527-G638 PolarHBondContact NH1-O 3.48Å; D635-G638 PolarHBondContact O-N 2.74Å
639F90.4Very high87.4Confident2 Ų241.3 Ų41.31%0.00923%0.233CC..G310 helixtrans-103.113.7179.9-61.8-88.5000113.8V519 P526 R527 P605 I609 H611 D635 K637 E641V519-F639 HydrophobicContact CB-CE1 4.15Å; V519-F639 HydrophobicContact CB-CZ 4.32Å; V519-F639 HydrophobicContact CG1-CE1 3.78Å; V519-F639 HydrophobicContact CG1-CZ 4.42Å; V519-F639 HydrophobicContact CG2-CE1 4.08Å; V519-F639 HydrophobicContact CG2-CZ 4.15Å; P526-F639 HydrophobicContact CB-CD1 4.07Å; P526-F639 VanDerWaalsContact O-CB 3.23Å; P526-F639 WeakPolarHBondContact O-CB 3.44Å; R527-F639 WeakPolarHBondContact CA-O 3.35Å; R527-F639 HydrophobicContact CG-CB 4.25Å; R527-F639 HydrophobicContact CG-CD1 4.1Å; P605-F639 HydrophobicContact CG-CB 4.49Å; P605-F639 HydrophobicContact CG-CD2 4.15Å; I609-F639 HydrophobicContact CD1-CD2 4.03Å; I609-F639 HydrophobicContact CD1-CE2 3.61Å; I609-F639 HydrophobicContact CD1-CZ 4.47Å; I609-F639 HydrophobicContact CG2-CE2 4.11Å; I609-F639 HydrophobicContact CG2-CZ 4.06Å; H611-F639 AromaticContact ND1-CZ 3.85Å; D635-F639 WeakPolarHBondContact O-CD2 3.38Å; D635-F639 VanDerWaalsContact O-CE2 3.3Å; D635-F639 WeakPolarHBondContact O-CE2 3.41Å; K637-F639 PolarHBondContact O-N 3.45Å; K637-F639 VanDerWaalsContact O-N 3.16Å; F639-E641 PolarHBondContact O-N 3.41Å
640N85.7Confident86.7Confident115 Ų11543.2 Ų43.262%0.61525%0.246SC*.  trans-70.5-17.5-179.965.13000115.9Q532Q532-N640 WeakPolarHBondContact CG-O 3.44Å
641E86.4Confident86.3Confident64 Ų6441.8 Ų41.830%0.29923%0.234SC..SBendtrans-103.7127.7173-164.6-162.8-154.700111.8Q247 R251 R527 F639 I643Q247-E641 PolarHBondContact NE2-OE1 3.27Å; R251-E641 IonicContact CZ-OE2 3.86Å; R251-E641 IonicContact NH2-OE2 3.66Å; R251-E641 PolarHBondContact NH2-OE2 2.81Å; R527-E641 VanDerWaalsContact CD-O 3.29Å; R527-E641 WeakPolarHBondContact CD-O 3.45Å; R527-E641 PolarHBondContact NH1-O 3.01Å; F639-E641 PolarHBondContact O-N 3.41Å; E641-I643 PolarHBondContact O-N 3.35Å
642V87.4Confident86Confident11 Ų1142.8 Ų42.87%0.06724%0.238CC..  trans-70.2113.6165.3-1790000110Q247 L524 R527 Q532 F536 I644Q247-V642 PolarHBondContact NE2-O 2.87Å; L524-V642 HydrophobicContact CD1-CG1 3.61Å; R527-V642 HydrophobicContact CB-CG2 4.49Å; R527-V642 WeakPolarHBondContact O-CG2 3.31Å; Q532-V642 HydrophobicContact CB-CG2 4.43Å; F536-V642 HydrophobicContact CB-CG2 4.29Å; F536-V642 HydrophobicContact CD2-CG1 4.46Å; V642-I644 HydrophobicContact CG1-CD1 3.86Å
643I87.9Confident85.5Confident8 Ų845.8 Ų45.84%0.04125%0.253CS..  trans-94.7114-177.4-55.4-178.3000110.3K522 E641 S645K522-I643 HydrophobicContact CB-CG2 4.45Å; K522-I643 HydrophobicContact CD-CG2 4.02Å; K522-I643 HydrophobicContact CG-CB 4.49Å; K522-I643 HydrophobicContact CG-CG2 3.99Å; E641-I643 PolarHBondContact O-N 3.35Å; I643-S645 PolarHBondContact O-N 3.13Å
644I84.9Confident85.2Confident16 Ų1643.2 Ų43.28%0.08224%0.243CC..  trans-78.2114.1-173.9-48.4-53.2000111.5L240 L243 R244 F536 V642L240-I644 HydrophobicContact CB-CG2 4.4Å; L240-I644 HydrophobicContact CD2-CD1 3.73Å; L240-I644 HydrophobicContact CD2-CG1 4.25Å; L240-I644 HydrophobicContact CD2-CG2 3.97Å; L243-I644 HydrophobicContact CB-CG1 4.36Å; L243-I644 HydrophobicContact CD2-CD1 4.26Å; L243-I644 HydrophobicContact CD2-CG1 3.87Å; L243-I644 HydrophobicContact CG-CG1 3.96Å; R244-I644 HydrophobicContact CB-CB 4.01Å; R244-I644 HydrophobicContact CB-CG2 3.93Å; R244-I644 WeakPolarHBondContact CG-O 3.41Å; F536-I644 HydrophobicContact CD2-CD1 4.27Å; F536-I644 HydrophobicContact CE2-CD1 3.85Å; V642-I644 HydrophobicContact CG1-CD1 3.86Å
645S81.1Confident84.9Confident16 Ų1644.9 Ų44.911%0.11225%0.247CC..  trans-143.8139.3-179-173.40000110.9I643 A647 M648I643-S645 PolarHBondContact O-N 3.13Å; S645-A647 PolarHBondContact O-N 3.49Å; S645-A647 VanDerWaalsContact O-N 3.12Å; S645-A647 PolarHBondContact OG-N 3.24Å; S645-M648 WeakPolarHBondContact O-CB 3.43Å; S645-M648 WeakPolarHBondContact O-CG 3.46Å; S645-M648 PolarHBondContact O-N 3.28Å
646P71.6Confident84.7Confident98 Ų9842.3 Ų42.364%0.63623%0.232SC*.THydrogen-bonded Turntrans-56.5-27.2170.5-23.634.1000112.7
647A72.6Confident84.6Confident29 Ų2942.1 Ų42.124%0.2423%0.231CC..THydrogen-bonded Turntrans-82.9-12.2178.400000114.3S645 L649 N650 E651S645-A647 PolarHBondContact O-N 3.49Å; S645-A647 VanDerWaalsContact O-N 3.12Å; S645-A647 PolarHBondContact OG-N 3.24Å; A647-L649 PolarHBondContact O-N 3.03Å; A647-L649 VanDerWaalsContact O-N 3.09Å; A647-N650 CarbonylContact O-C 3.43Å; A647-N650 PolarHBondContact O-N 3.25Å; A647-E651 HydrophobicContact CB-CG 3.98Å; A647-E651 WeakPolarHBondContact O-CB 3.2Å; A647-E651 WeakPolarHBondContact O-CG 3.24Å; A647-E651 PolarHBondContact O-N 3.15Å
648M79.9Confident84.7Confident28 Ų2838.5 Ų38.514%0.13822%0.215CC..THydrogen-bonded Turntrans-59.7-30.3-167.971.3-162.8-170.500114.6K522 L524 S645K522-M648 WeakPolarHBondContact O-CA 3.45Å; K522-M648 WeakPolarHBondContact O-CB 3.46Å; L524-M648 HydrophobicContact CB-CB 4.33Å; L524-M648 HydrophobicContact CB-CG 4.25Å; L524-M648 HydrophobicContact CD1-SD 4.46Å; L524-M648 HydrophobicContact CD2-CE 4.34Å; L524-M648 PolarHBondContact N-O 3.01Å; S645-M648 WeakPolarHBondContact O-CB 3.43Å; S645-M648 WeakPolarHBondContact O-CG 3.46Å; S645-M648 PolarHBondContact O-N 3.28Å
649L77.9Confident84.8Confident110 Ų11042.1 Ų42.158%0.57622%0.222SC*.THydrogen-bonded Turntrans-86.3-28.5175.3-66.6173.4000112.7L524 A647L524-L649 HydrophobicContact CB-CD2 4.49Å; L524-L649 HydrophobicContact CD2-CD2 3.56Å; A647-L649 PolarHBondContact O-N 3.03Å; A647-L649 VanDerWaalsContact O-N 3.09Å
650N78Confident84.9Confident77 Ų7742 Ų4241%0.41222%0.223SC..THydrogen-bonded Turntrans-79.5-37.5178.6-171.763.5000111.4A647 H652 M653 M656A647-N650 CarbonylContact O-C 3.43Å; A647-N650 PolarHBondContact O-N 3.25Å; N650-H652 PolarHBondContact O-N 3.35Å; N650-M653 WeakPolarHBondContact O-CB 3.49Å; N650-M653 PolarHBondContact O-N 3.31Å; N650-M656 VanDerWaalsContact O-CB 3.25Å; N650-M656 WeakPolarHBondContact O-CB 3.37Å; N650-M656 VanDerWaalsContact O-CG 3.23Å; N650-M656 WeakPolarHBondContact O-CG 3.24Å
651E83.5Confident85.3Confident12 Ų1236.6 Ų36.66%0.05619%0.194CC..THydrogen-bonded Turntrans-63.9-24173.4-70.5169.5158.900112L520 K522 H614 A647 M653 V657L520-E651 HydrophobicContact CD2-CB 4.27Å; L520-E651 HydrophobicContact CD2-CG 4.48Å; L520-E651 HydrophobicContact CG-CB 4.25Å; L520-E651 HydrophobicContact CG-CG 4.5Å; K522-E651 WeakPolarHBondContact CA-OE2 3.39Å; K522-E651 WeakPolarHBondContact CB-OE2 3.43Å; K522-E651 PolarHBondContact N-OE2 2.86Å; H614-E651 IonicContact CD2-OE1 3.44Å; H614-E651 IonicContact CE1-OE1 2.86Å; H614-E651 PolarHBondContact CE1-OE1 2.88Å; H614-E651 IonicContact NE2-OE1 2.66Å; H614-E651 PolarHBondContact NE2-OE1 2.85Å; A647-E651 HydrophobicContact CB-CG 3.98Å; A647-E651 WeakPolarHBondContact O-CB 3.2Å; A647-E651 WeakPolarHBondContact O-CG 3.24Å; A647-E651 PolarHBondContact O-N 3.15Å; E651-M653 VanDerWaalsContact C-N 3.34Å; E651-V657 WeakPolarHBondContact O-CG2 3.49Å
652H88.4Confident85.6Confident25 Ų2534.1 Ų34.112%0.11618%0.182CC..THydrogen-bonded Turntrans-74-16.7169.9-169.858.4000114.3H470 S471 D523 V525 N650H470-H652 AromaticContact CE1-CE1 3.81Å; H470-H652 AromaticContact CE1-NE2 3.75Å; H470-H652 PolarHBondContact CE1-O 3.48Å; H470-H652 PolarHBondContact NE2-O 2.88Å; H470-H652 VanDerWaalsContact NE2-O 3.11Å; S471-H652 WeakPolarHBondContact CB-NE2 3.44Å; S471-H652 PolarHBondContact OG-CE1 3.01Å; S471-H652 VanDerWaalsContact OG-CE1 3.29Å; S471-H652 PolarHBondContact OG-NE2 3Å; D523-H652 VanDerWaalsContact CG-ND1 3.29Å; D523-H652 VanDerWaalsContact OD1-CB 3.31Å; D523-H652 WeakPolarHBondContact OD1-CB 3.45Å; D523-H652 IonicContact OD1-CG 3.97Å; D523-H652 IonicContact OD1-ND1 2.81Å; D523-H652 PolarHBondContact OD1-ND1 3.35Å; D523-H652 WeakPolarHBondContact OD2-CA 3.43Å; D523-H652 IonicContact OD2-CE1 3.69Å; D523-H652 IonicContact OD2-CG 3.89Å; D523-H652 IonicContact OD2-ND1 2.7Å; D523-H652 PolarHBondContact OD2-ND1 3.46Å; V525-H652 VanDerWaalsContact CB-CE1 3.45Å; V525-H652 WeakPolarHBondContact CB-CE1 3.34Å; N650-H652 PolarHBondContact O-N 3.35Å
653M85.6Confident85.8Confident70 Ų7034.6 Ų34.635%0.34518%0.183SC..SBendtrans-70.8134.1-176.6-64.6-61.9-68.100110.1M310 N650 E651 H655 M656 V657M310-M653 HydrophobicContact CE-CE 4.14Å; N650-M653 WeakPolarHBondContact O-CB 3.49Å; N650-M653 PolarHBondContact O-N 3.31Å; E651-M653 VanDerWaalsContact C-N 3.34Å; M653-H655 VanDerWaalsContact CB-CE1 3.49Å; M653-H655 WeakPolarHBondContact CB-CE1 3.5Å; M653-H655 PolarHBondContact O-N 3.04Å; M653-H655 VanDerWaalsContact O-N 3.09Å; M653-M656 HydrophobicContact CB-CB 4.45Å; M653-M656 HydrophobicContact CB-CG 4.32Å; M653-M656 WeakPolarHBondContact O-CA 3.3Å; M653-M656 WeakPolarHBondContact O-CB 3.31Å; M653-M656 PolarHBondContact O-N 3.5Å; M653-V657 PolarHBondContact O-N 3.27Å
654P88.4Confident86.1Confident3 Ų334.5 Ų34.52%0.01918%0.183CC..Hα-helixtrans-61.7-31.5-17021-32.4000112.9M296 L300 Y303 M307 M656 V657 M658M296-P654 HydrophobicContact CE-CB 3.89Å; M296-P654 WeakPolarHBondContact CE-O 3.31Å; L300-P654 HydrophobicContact CD1-CB 3.98Å; L300-P654 HydrophobicContact CG-CB 4.17Å; Y303-P654 HydrophobicContact CE1-CG 4.28Å; Y303-P654 HydrophobicContact CE2-CG 4.2Å; M307-P654 HydrophobicContact SD-CG 4.07Å; P654-M656 VanDerWaalsContact C-N 3.33Å; P654-M656 PolarHBondContact O-N 3.27Å; P654-V657 PolarHBondContact O-N 2.91Å; P654-M658 PolarHBondContact O-N 2.81Å
655H85.9Confident86.4Confident53 Ų5333.9 Ų33.925%0.24518%0.18CC..Hα-helixtrans-69.1-27.7173.770.7-86.4000113.8M307 M653 K659M307-H655 HydrophobicContact CE-CB 3.71Å; M653-H655 VanDerWaalsContact CB-CE1 3.49Å; M653-H655 WeakPolarHBondContact CB-CE1 3.5Å; M653-H655 PolarHBondContact O-N 3.04Å; M653-H655 VanDerWaalsContact O-N 3.09Å; H655-K659 WeakPolarHBondContact O-CB 3.48Å; H655-K659 PolarHBondContact O-N 3.01Å
656M87.8Confident86.7Confident36 Ų3636 Ų3618%0.17719%0.188CC..Hα-helixtrans-76.6-38.9172.4-70.8-60.8-58.500111.1L520 N650 M653 P654 M658 K659 G660L520-M656 HydrophobicContact CD2-CB 4.29Å; L520-M656 VanDerWaalsContact CD2-O 3.27Å; L520-M656 WeakPolarHBondContact CD2-O 3.3Å; N650-M656 VanDerWaalsContact O-CB 3.25Å; N650-M656 WeakPolarHBondContact O-CB 3.37Å; N650-M656 VanDerWaalsContact O-CG 3.23Å; N650-M656 WeakPolarHBondContact O-CG 3.24Å; M653-M656 HydrophobicContact CB-CB 4.45Å; M653-M656 HydrophobicContact CB-CG 4.32Å; M653-M656 WeakPolarHBondContact O-CA 3.3Å; M653-M656 WeakPolarHBondContact O-CB 3.31Å; M653-M656 PolarHBondContact O-N 3.5Å; P654-M656 VanDerWaalsContact C-N 3.33Å; P654-M656 PolarHBondContact O-N 3.27Å; M656-M658 PolarHBondContact O-N 3.15Å; M656-K659 PolarHBondContact O-N 3.48Å; M656-G660 PolarHBondContact O-N 2.9Å
657V93Very high87.4Confident1 Ų136 Ų361%0.00619%0.188CC..Hα-helixtrans-57.8-47.3170.7-178.50000110.7M296 Y496 V518 L520 E651 M653 P654 K659 G660 L661M296-V657 HydrophobicContact CE-CB 3.68Å; M296-V657 HydrophobicContact CE-CG1 3.72Å; M296-V657 HydrophobicContact CE-CG2 4.49Å; Y496-V657 HydrophobicContact CD1-CG1 4.48Å; V518-V657 HydrophobicContact CG1-CG1 4.12Å; L520-V657 HydrophobicContact CB-CG2 4.26Å; E651-V657 WeakPolarHBondContact O-CG2 3.49Å; M653-V657 PolarHBondContact O-N 3.27Å; P654-V657 PolarHBondContact O-N 2.91Å; V657-K659 PolarHBondContact O-N 3.44Å; V657-G660 PolarHBondContact O-N 3.39Å; V657-L661 HydrophobicContact CG1-CD1 4.36Å; V657-L661 WeakPolarHBondContact O-CG 3.45Å; V657-L661 PolarHBondContact O-N 3.26Å
658M92.4Very high88Confident5 Ų538.7 Ų38.73%0.02519%0.194CC..Hα-helixtrans-59-45.1172.9178.362.684.300112.6M296 L297 L300 P654 M656 G660 L661 N662M296-M658 HydrophobicContact CB-CE 3.71Å; M296-M658 HydrophobicContact CG-CB 4.41Å; M296-M658 HydrophobicContact CG-CE 3.87Å; L297-M658 HydrophobicContact CD2-CE 3.64Å; L297-M658 HydrophobicContact CG-CE 4.03Å; L300-M658 HydrophobicContact CD1-CB 4.17Å; L300-M658 HydrophobicContact CD1-CE 4.36Å; L300-M658 HydrophobicContact CD2-CB 4.35Å; P654-M658 PolarHBondContact O-N 2.81Å; M656-M658 PolarHBondContact O-N 3.15Å; M658-G660 VanDerWaalsContact C-N 3.32Å; M658-G660 PolarHBondContact O-N 3.49Å; M658-L661 PolarHBondContact O-N 2.92Å; M658-N662 PolarHBondContact O-N 3.09Å
659K91.1Very high87.8Confident105 Ų10538.3 Ų38.346%0.45719%0.194SC..Hα-helixtrans-61.1-40.9175.9-175.2176.7178.9179.60111.8H655 M656 V657 N662 K663H655-K659 WeakPolarHBondContact O-CB 3.48Å; H655-K659 PolarHBondContact O-N 3.01Å; M656-K659 PolarHBondContact O-N 3.48Å; V657-K659 PolarHBondContact O-N 3.44Å; K659-N662 PolarHBondContact O-N 3.47Å; K659-K663 WeakPolarHBondContact O-CG 3.42Å; K659-K663 PolarHBondContact O-N 3.41Å
660G92.8Very high86.7Confident1 Ų138.3 Ų38.31%0.0120%0.201CC..Hα-helixtrans-65.2-42.1177.600000113M656 V657 M658 K663 V664M656-G660 PolarHBondContact O-N 2.9Å; V657-G660 PolarHBondContact O-N 3.39Å; M658-G660 VanDerWaalsContact C-N 3.32Å; M658-G660 PolarHBondContact O-N 3.49Å; G660-K663 PolarHBondContact O-N 3.23Å; G660-V664 PolarHBondContact O-N 3.25Å
661L95.1Very high85.2Confident1 Ų141.7 Ų41.71%0.00522%0.219CC..Hα-helixtrans-59-49.8173.3-74.6169.5000111.1Y289 V292 M296 Y496 V518 V612 V657 M658 K663 V664Y289-L661 HydrophobicContact CE1-CD2 4.44Å; Y289-L661 HydrophobicContact CE2-CD2 4.1Å; Y289-L661 WeakPolarHBondContact OH-CD2 3.22Å; Y289-L661 PolarHBondContact OH-O 3.08Å; V292-L661 HydrophobicContact CG1-CD2 3.98Å; M296-L661 HydrophobicContact CB-CD1 4.07Å; M296-L661 HydrophobicContact CG-CD1 4.01Å; Y496-L661 HydrophobicContact CD1-CD1 4.44Å; Y496-L661 HydrophobicContact CE1-CD1 4.16Å; V518-L661 HydrophobicContact CG1-CD2 4.03Å; V518-L661 HydrophobicContact CG1-CG 4.48Å; V612-L661 HydrophobicContact CG2-CD2 4.04Å; V657-L661 HydrophobicContact CG1-CD1 4.36Å; V657-L661 WeakPolarHBondContact O-CG 3.45Å; V657-L661 PolarHBondContact O-N 3.26Å; M658-L661 PolarHBondContact O-N 2.92Å; L661-K663 PolarHBondContact O-N 3.36Å; L661-V664 PolarHBondContact O-N 2.85Å
662N92.9Very high83.5Confident11 Ų1143.7 Ų43.76%0.05923%0.23CC..Hα-helixtrans-62.8-39.9179.4-74.67.8000112.5M658 K659 V664 L665 E666 L674 L677M658-N662 PolarHBondContact O-N 3.09Å; K659-N662 PolarHBondContact O-N 3.47Å; N662-V664 PolarHBondContact O-N 3.46Å; N662-L665 WeakPolarHBondContact O-CB 3.43Å; N662-L665 PolarHBondContact O-N 2.89Å; N662-E666 PolarHBondContact O-N 2.91Å; N662-L674 HydrophobicContact CB-CD2 4.41Å; N662-L677 HydrophobicContact CB-CD1 4.1Å
663K92.1Very high81.3Confident21 Ų2149.2 Ų49.29%0.09126%0.256CS..Hα-helixtrans-64.1-17.5177.6-80.1-150.6148.5-74.30115E626 Y629 K659 G660 L661 E666E626-K663 VanDerWaalsContact OE2-CE 3.23Å; E626-K663 WeakPolarHBondContact OE2-CE 3.46Å; E626-K663 IonicContact OE2-NZ 2.62Å; E626-K663 PolarHBondContact OE2-NZ 3.29Å; Y629-K663 HydrophobicContact CD1-CB 4.19Å; Y629-K663 HydrophobicContact CD2-CB 3.58Å; Y629-K663 HydrophobicContact CD2-CD 3.61Å; Y629-K663 HydrophobicContact CD2-CG 4.19Å; Y629-K663 HydrophobicContact CE2-CB 4.06Å; Y629-K663 HydrophobicContact CE2-CD 3.35Å; Y629-K663 HydrophobicContact CE2-CG 4.24Å; Y629-K663 HydrophobicContact CG-CB 3.66Å; K659-K663 WeakPolarHBondContact O-CG 3.42Å; K659-K663 PolarHBondContact O-N 3.41Å; G660-K663 PolarHBondContact O-N 3.23Å; L661-K663 PolarHBondContact O-N 3.36Å; K663-E666 IonicContact NZ-OE1 3.35Å; K663-E666 PolarHBondContact NZ-OE1 3.16Å; K663-E666 IonicContact NZ-OE2 2.93Å; K663-E666 PolarHBondContact NZ-OE2 3.1Å
664V93.1Very high79.4Confident6 Ų650.8 Ų50.84%0.03627%0.265CS..Hα-helixtrans-79-25.7170.6175.10000111.8L280 Y289 V612 A631 G660 L661 N662 F668L280-V664 HydrophobicContact CD1-CG1 3.41Å; L280-V664 VanDerWaalsContact CD1-CG1 3.41Å; Y289-V664 HydrophobicContact CE1-CB 4Å; Y289-V664 HydrophobicContact CE1-CG1 3.95Å; Y289-V664 VanDerWaalsContact OH-CB 3.29Å; Y289-V664 WeakPolarHBondContact OH-CB 3.49Å; Y289-V664 WeakPolarHBondContact OH-CG2 3.21Å; V612-V664 HydrophobicContact CG1-CG2 3.81Å; A631-V664 HydrophobicContact CB-CG1 4.1Å; G660-V664 PolarHBondContact O-N 3.25Å; L661-V664 PolarHBondContact O-N 2.85Å; N662-V664 PolarHBondContact O-N 3.46Å; V664-F668 WeakPolarHBondContact O-CD2 3.46Å
665L91.3Very high77.1Confident3 Ų356.2 Ų56.22%0.01629%0.29CS..Hα-helixtrans-85.8-26.4178.4-72175.7000113.8M286 Y289 K290 N662 P667 F668 C669 L677M286-L665 HydrophobicContact CE-CD2 3.93Å; M286-L665 HydrophobicContact SD-CD2 3.74Å; Y289-L665 HydrophobicContact CD1-CD1 4.39Å; Y289-L665 HydrophobicContact CD1-CD2 3.89Å; Y289-L665 HydrophobicContact CD1-CG 4.02Å; Y289-L665 HydrophobicContact CE1-CD2 4.32Å; Y289-L665 HydrophobicContact CE1-CG 4.01Å; K290-L665 HydrophobicContact CG-CD1 4.46Å; N662-L665 WeakPolarHBondContact O-CB 3.43Å; N662-L665 PolarHBondContact O-N 2.89Å; L665-P667 VanDerWaalsContact C-CD 3.45Å; L665-P667 VanDerWaalsContact C-N 3.35Å; L665-F668 PolarHBondContact O-N 3.38Å; L665-C669 PolarHBondContact O-N 2.92Å; L665-C669 VanDerWaalsContact O-N 3.11Å; L665-L677 HydrophobicContact CB-CD2 4.18Å; L665-L677 HydrophobicContact CD1-CD2 3.85Å
666E88.2Confident74.8Confident62 Ų6258.9 Ų58.929%0.2930%0.302SS..G310 helixtrans-44.7-47.4-179.8-73.1171.8178.200113.7N662 K663 F668 C669N662-E666 PolarHBondContact O-N 2.91Å; K663-E666 IonicContact NZ-OE1 3.35Å; K663-E666 PolarHBondContact NZ-OE1 3.16Å; K663-E666 IonicContact NZ-OE2 2.93Å; K663-E666 PolarHBondContact NZ-OE2 3.1Å; E666-F668 PolarHBondContact O-N 3.28Å; E666-C669 CarbonylContact O-C 3.55Å; E666-C669 PolarHBondContact O-N 3.29Å
667P86.2Confident72.7Confident96 Ų9658.7 Ų58.762%0.62330%0.302SS*.G310 helixtrans-68.2-17.6-179.5-19.634000115.1L665L665-P667 VanDerWaalsContact C-CD 3.45Å; L665-P667 VanDerWaalsContact C-N 3.35Å
668F84.8Confident70.6Confident87 Ų8759.7 Ų59.738%0.38231%0.307SS..G310 helixtrans-104-9.2-177.7-58-89.4000112.6L280 K281 M286 V664 L665 E666L280-F668 HydrophobicContact CB-CD1 4.28Å; L280-F668 HydrophobicContact CB-CD2 4.26Å; L280-F668 HydrophobicContact CB-CE1 3.89Å; L280-F668 HydrophobicContact CB-CE2 3.87Å; L280-F668 HydrophobicContact CB-CG 4.46Å; L280-F668 HydrophobicContact CB-CZ 3.68Å; L280-F668 HydrophobicContact CD1-CD2 4.29Å; L280-F668 HydrophobicContact CD1-CE2 3.92Å; L280-F668 HydrophobicContact CD1-CZ 4.47Å; K281-F668 HydrophobicContact CG-CE1 4.16Å; M286-F668 HydrophobicContact CE-CB 3.89Å; M286-F668 HydrophobicContact CE-CD1 4.48Å; M286-F668 HydrophobicContact CE-CG 4.12Å; V664-F668 WeakPolarHBondContact O-CD2 3.46Å; L665-F668 PolarHBondContact O-N 3.38Å; E666-F668 PolarHBondContact O-N 3.28Å
669C75.8Confident68.2Low20 Ų2063 Ų6314%0.13533%0.327CS..  trans-138.456.1-176.4-73.30000111.2L665 E666 N671 L672L665-C669 PolarHBondContact O-N 2.92Å; L665-C669 VanDerWaalsContact O-N 3.11Å; E666-C669 CarbonylContact O-C 3.55Å; E666-C669 PolarHBondContact O-N 3.29Å; C669-N671 PolarHBondContact O-N 3.15Å; C669-L672 HydrophobicContact CB-CD1 4.19Å; C669-L672 HydrophobicContact CB-CD2 4.26Å; C669-L672 PolarHBondContact O-N 3.49Å; C669-L672 VanDerWaalsContact O-N 3.15Å
670P54.8Low65.4Low110 Ų11061 Ų6171%0.71433%0.326SS*.THydrogen-bonded Turntrans-67.2-12.1-166.328.2-37.8000115.8
671N45.6Very low62.8Low147 Ų14767.2 Ų67.279%0.78636%0.355SS*.THydrogen-bonded Turntrans-102.65.7179.1-69.90.9000113.5C669C669-N671 PolarHBondContact O-N 3.15Å
672L48.5Very low59.8Low54 Ų5472 Ų7228%0.28339%0.388SS..  trans-96.5119.3177.6-81.665.2000109.3C669 L677C669-L672 HydrophobicContact CB-CD1 4.19Å; C669-L672 HydrophobicContact CB-CD2 4.26Å; C669-L672 PolarHBondContact O-N 3.49Å; C669-L672 VanDerWaalsContact O-N 3.15Å; L672-L677 HydrophobicContact CB-CG 4.35Å; L672-L677 HydrophobicContact CD2-CG 4.39Å
673E42.8Very low56.9Low142 Ų14276 Ų7666%0.66442%0.417SS*.  trans-62.7158168.6-64.6-164.1156.300111E675 E676 L677E673-E675 PolarHBondContact O-N 3.44Å; E673-E676 HydrophobicContact CB-CG 4.37Å; E673-E676 PolarHBondContact O-N 2.97Å; E673-L677 PolarHBondContact O-N 3.06Å; E673-L677 VanDerWaalsContact O-N 3.16Å
674L44.4Very low53.8Low103 Ų10380.8 Ų80.854%0.53945%0.452SS..THydrogen-bonded Turntrans-63.8-7.8-179.4-88.4162.6000114.6N662 L677N662-L674 HydrophobicContact CB-CD2 4.41Å; L674-L677 HydrophobicContact CD2-CD1 4.37Å
675E40.6Very low50.7Low116 Ų11686.9 Ų86.954%0.54249%0.485SS..THydrogen-bonded Turntrans-103-17167.7-53.5-148.8104.300113.4K312 E673K312-E675 IonicContact NZ-OE1 3.56Å; K312-E675 PolarHBondContact NZ-OE1 3.28Å; K312-E675 IonicContact NZ-OE2 3.27Å; E673-E675 PolarHBondContact O-N 3.44Å
676E38.7Very low48Very low109 Ų10992.8 Ų92.851%0.50952%0.521SS..G310 helixtrans-86.4-20.1176.7-70.2-160.5135.500113.9E673 E678 V679E673-E676 HydrophobicContact CB-CG 4.37Å; E673-E676 PolarHBondContact O-N 2.97Å; E676-E678 PolarHBondContact O-N 3.21Å; E676-V679 PolarHBondContact O-N 2.82Å
677L43.1Very low44.9Very low33 Ų3394.5 Ų94.517%0.17354%0.539CS..G310 helixtrans-53.3-6.3171.4-111.6166.2000114.9N662 L665 L672 E673 L674N662-L677 HydrophobicContact CB-CD1 4.1Å; L665-L677 HydrophobicContact CB-CD2 4.18Å; L665-L677 HydrophobicContact CD1-CD2 3.85Å; L672-L677 HydrophobicContact CB-CG 4.35Å; L672-L677 HydrophobicContact CD2-CG 4.39Å; E673-L677 PolarHBondContact O-N 3.06Å; E673-L677 VanDerWaalsContact O-N 3.16Å; L674-L677 HydrophobicContact CD2-CD1 4.37Å
678E49.6Very low42.1Very low21 Ų2196.6 Ų96.610%0.09855%0.545CS..G310 helixtrans-115.4-4.9-163.9-50.7-172.9146.900113.6R311 R360 E676R311-E678 IonicContact NH2-OE1 3.84Å; R360-E678 WeakPolarHBondContact CD-OE2 3.48Å; R360-E678 WeakPolarHBondContact CG-OE2 3.5Å; R360-E678 IonicContact CZ-OE1 2.7Å; R360-E678 IonicContact CZ-OE2 2.79Å; R360-E678 IonicContact NE-OE2 3.01Å; R360-E678 PolarHBondContact NE-OE2 3.13Å; R360-E678 IonicContact NH1-OE1 2.78Å; R360-E678 PolarHBondContact NH1-OE1 3.11Å; R360-E678 IonicContact NH1-OE2 2.72Å; R360-E678 PolarHBondContact NH1-OE2 3.17Å; R360-E678 IonicContact NH2-OE1 2.63Å; R360-E678 PolarHBondContact NH2-OE1 2.86Å; R360-E678 IonicContact NH2-OE2 3.31Å; R360-E678 PolarHBondContact NH2-OE2 3.46Å; E676-E678 PolarHBondContact O-N 3.21Å
679V40.4Very low39.2Very low74 Ų74101 Ų10145%0.44856%0.564SS.*THydrogen-bonded Turntrans-132.7-32.8-172.4-163.10000114.6R360 D361 E676 Q681R360-V679 VanDerWaalsContact O-CG2 3.31Å; R360-V679 WeakPolarHBondContact O-CG2 3.36Å; D361-V679 HydrophobicContact CB-CG1 4.36Å; E676-V679 PolarHBondContact O-N 2.82Å; V679-Q681 PolarHBondContact O-N 3.06Å
680S32.5Very low36.9Very low63 Ų63107.2 Ų107.244%0.44160%0.595SS.*  trans-78.588-165.6610000114.8
681Q38.1Very low35.5Very low133 Ų133107.7 Ų107.762%0.62160%0.596SS**  trans-85.4-3.5168.8-74.1-169.617.300114.5V679 S683V679-Q681 PolarHBondContact O-N 3.06Å; Q681-S683 PolarHBondContact O-N 2.73Å
682S33Very low34.4Very low100 Ų100105.4 Ų105.470%0.69959%0.591SS**SBendtrans-83105.8-178.654.10000113.2
683S32Very low33.5Very low96 Ų96112.3 Ų112.367%0.67162%0.622SS**  trans44.382.9149-52.30000117.9Q681 N685Q681-S683 PolarHBondContact O-N 2.73Å; S683-N685 VanDerWaalsContact C-N 3.3Å; S683-N685 PolarHBondContact O-N 3.15Å
684C27.4Very low32.6Very low122 Ų122110.9 Ų110.982%0.82463%0.628SS**  trans-72.689.2156.8-165.40000108.7T686C684-T686 PolarHBondContact O-N 2.91Å
685N27.9Very low31.8Very low134 Ų134115 Ų11572%0.71764%0.644SS**  trans-70.5118.9-178.1-80.1-9.1000110.9S683 S687S683-N685 VanDerWaalsContact C-N 3.3Å; S683-N685 PolarHBondContact O-N 3.15Å; N685-S687 PolarHBondContact O-N 3.17Å
686T33.4Very low31.1Very low127 Ų127118 Ų11878%0.77966%0.663SS**  trans-65.993.9174.2-47.60000111.2C684 L688C684-T686 PolarHBondContact O-N 2.91Å; T686-L688 HydrophobicContact CG2-CD1 4.22Å; T686-L688 PolarHBondContact O-N 3.11Å
687S24.2Very low30.3Very low97 Ų97119.8 Ų119.868%0.67868%0.676SS**  trans-76.8111.2162.644.20000109.3N685 F689N685-S687 PolarHBondContact O-N 3.17Å; S687-F689 PolarHBondContact O-N 2.85Å
688L27.5Very low29.6Very low141 Ų141123.6 Ų123.674%0.73870%0.702SS**  trans-68.199.5168.2-89.382000109.2T686 I690T686-L688 HydrophobicContact CG2-CD1 4.22Å; T686-L688 PolarHBondContact O-N 3.11Å; L688-I690 HydrophobicContact CD2-CG1 4.41Å; L688-I690 PolarHBondContact O-N 3.43Å
689F22.9Very low28.4Very low180 Ų180134.1 Ų134.179%0.78974%0.741SS**  trans-86.298.3151.5-92.9-84.3000108.9S687 T691S687-F689 PolarHBondContact O-N 2.85Å; F689-T691 VanDerWaalsContact C-N 3.3Å; F689-T691 PolarHBondContact O-N 3.48Å
690I28.8Very low27.8Very low150 Ų150136 Ų13677%0.76976%0.755SS**  trans-73.891163.5-59.1175.5000106.7L688L688-I690 HydrophobicContact CD2-CG1 4.41Å; L688-I690 PolarHBondContact O-N 3.43Å
691T23.9Very low27.5Very low120 Ų120141.1 Ų141.174%0.73678%0.777SS**PPolyproline II helixtrans-89.8125.1164.9-37.60000107.8F689F689-T691 VanDerWaalsContact C-N 3.3Å; F689-T691 PolarHBondContact O-N 3.48Å
692S23.5Very low27Very low98 Ų98140.6 Ų140.669%0.68579%0.785SS**PPolyproline II helixtrans-61.5150.7-169.549.70000114.2S694S692-S694 PolarHBondContact O-N 3.12Å
693Q29.6Very low26.6Very low199 Ų199140.5 Ų140.593%0.9378%0.784SS**PPolyproline II helixtrans-55.4132.5162.3-66.5177.9-10.100110.2
694S24.4Very low26.3Very low113 Ų113142.5 Ų142.579%0.7979%0.787SS**  trans-144.7139.4155.558.90000108.5S692S692-S694 PolarHBondContact O-N 3.12Å
695E26.4Very low26.2Very low188 Ų188142.9 Ų142.988%0.87979%0.786SS**  trans-71.5147.7-174.8-55.6168.8123.700110.9
696L25.4Very low26.1Very low179 Ų179142 Ų14294%0.93779%0.791SS**  trans-121.183.2168-152.579.8000111.1
697N22.6Very low25.7Very low147 Ų147140.7 Ų140.779%0.78679%0.787SS**  trans-85.1139.4167.3-132.6-17.3000108.6
698P28.5Very low25.8Very low113 Ų113143.6 Ų143.673%0.73479%0.793SS**  trans-84.9137.1-165.132.4-34.5000113.7
699R23.6Very low25.7Very low242 Ų242141.7 Ų141.791%0.91380%0.798SS**  trans-173159.2171-104.8166-167.1-160.13110.1
700P27.4Very low25.8Very low115 Ų115141.5 Ų141.575%0.74780%0.799SS**  cis-124.3-177.8-46.834.2-17.3000111.2
701L26.1Very low25.7Very low169 Ų169143.3 Ų143.389%0.88580%0.801SS**PPolyproline II helixtrans-69.5141.9165.8-10271.7000110.9
702P29.6Very low25.7Very low123 Ų123145.5 Ų145.580%0.79980%0.803SS**PPolyproline II helixtrans-84.9137.8168.133.5-32.2000112
703S23.5Very low25.8Very low98 Ų98147.9 Ų147.969%0.68581%0.807SS**PPolyproline II helixtrans-93.1152.6148.758.40000108.2
704D26.4Very low25.6Very low137 Ų137143.6 Ų143.673%0.73380%0.799SS**  -168.7142.585.7-88.9-12.4000114.1
705T25Very low25.6Very low131 Ų131141 Ų14180%0.80479%0.79SS**  trans39.7119147.662.90000122.6
706S26Very low25.5Very low116 Ų116138 Ų13881%0.81179%0.785SS**  -151.6100.7128.256.30000114
707S24.6Very low25.6Very low99 Ų99138.2 Ų138.269%0.69278%0.781SS**  trans23121.9148.7580000123.7
708I25.8Very low25.7Very low157 Ų157135.9 Ų135.981%0.80578%0.776SS**  73.4108.9129.8-55.5166.2000120.1
709A25.3Very low25.6Very low102 Ų102138.9 Ų138.984%0.84378%0.78SS**  -158.6151.1129.700000110.3
710H26.1Very low25.7Very low176 Ų176132 Ų13282%0.81577%0.765SS**  trans-99145.7-173.3-65.7-100000114.3
711K25.7Very low25.6Very low188 Ų188133.9 Ų133.982%0.81776%0.764SS**  172.2149.5103.3-90.5-175.9178.3179.50113.2
712H25.1Very low25.6Very low166 Ų166132.4 Ų132.477%0.76976%0.757SS**  trans15.9147.6152-62.1-90.8000121.1
713L25.3Very low25.5Very low147 Ų147134.8 Ų134.877%0.7776%0.757SS**  cis-153.8179.723.3-157.161.4000112.4
714S24.3Very low25.6Very low109 Ų109134.1 Ų134.176%0.76276%0.757SS**  trans-46.2161.317453.80000117.1
715G24.7Very low25.5Very low58 Ų58134.1 Ų134.160%0.59876%0.762SS**  cis153.7-170.92.400000112.3
716T25.4Very low25.5Very low127 Ų127133.3 Ų133.378%0.77976%0.762SS**  trans62118.817837.40000115.7
717E25.8Very low25.5Very low182 Ų182134.5 Ų134.585%0.8576%0.764SS**  71.1140.580.1-70173.6-163.900112.8
718S25.3Very low25.4Very low98 Ų98140.8 Ų140.869%0.68577%0.772SS**  cis-158.4161.423.9460000114.3
719H26.4Very low26.8Very low176 Ų176138 Ų13882%0.81577%0.765SS**  trans41.2152.5139.5-66.6-63.4000122.8
720T25.8Very low26.8Very low97 Ų97140 Ų14060%0.59577%0.767SS**  cis-159.91616.9-30000112.6
721E26.4Very low26.7Very low156 Ų156134.5 Ų134.573%0.72976%0.757SS**  trans61.8128.3143.8-77.1151.1-17600121.3
722N26Very low26.8Very low138 Ų138134.1 Ų134.174%0.73876%0.758SS**  79.1140.366-70.11.8000112.7
723E26.7Very low26.8Very low173 Ų173132.2 Ų132.281%0.80876%0.758SS**  cis-145153.91.4-102.8163164.800107.1
724A24.8Very low26.8Very low83 Ų83129.3 Ų129.369%0.68675%0.75SS**  83.2151.153.400000115.9
725V25.9Very low26.8Very low137 Ų137131.8 Ų131.883%0.8375%0.754SS**  trans71.7126.9-179.3-167.20000114.9
726S23.9Very low26.8Very low115 Ų115134.1 Ų134.180%0.80476%0.761SS**  cis111.6165.610.8-1650000114.7
727V25.5Very low26.8Very low140 Ų140137.4 Ų137.485%0.84877%0.765SS**  trans95160.3177.4-170.50000116.3
728R23.7Very low27.3Very low231 Ų231134.5 Ų134.587%0.87276%0.762SS**  trans-137.1-157.4-145.9-144.7-172.9-171.3178.43.4111.7
729P53.9Low27.4Very low100 Ų100137 Ų13765%0.64977%0.767SS**  -115-154.1-123.945.4-28.6000115.6
730T26.6Very low27.5Very low144 Ų144133.1 Ų133.188%0.88377%0.766SS**  trans88146.6-178.9730000116.4
731G24.6Very low27.5Very low59 Ų59138 Ų13861%0.60878%0.782SS**  cis-178.5-171.3-5.400000113.4
732H26.4Very low27.5Very low180 Ų180135.9 Ų135.983%0.83379%0.785SS**  trans80.5123.5173.3-57.7-81.1000118.4
733T25.1Very low27.6Very low126 Ų126136.5 Ų136.577%0.77379%0.793SS**  68.2142.175.415.20000115.6
734S24.8Very low27.8Very low86 Ų86133.3 Ų133.360%0.60179%0.79SS**  cis-167.4167.913.955.70000115.2
735L26Very low28.9Very low162 Ų162135 Ų13585%0.84879%0.793SS**  trans73.3149.8157.4-66.9160000118.3
736S22.9Very low29.8Very low107 Ų107134.1 Ų134.175%0.74879%0.791SS**  cis-159.2164.8-5.241.50000113.3
737F26.2Very low30.5Very low195 Ų195134.1 Ų134.186%0.85579%0.788SS**  trans-82.6176.9-178.3-73.5-92.3000115.2
738P37.4Very low31.9Very low121 Ų121133 Ų13379%0.78678%0.784SS**  -134.4167.194.739.8-30.2000117
739N27Very low32.1Very low150 Ų150130 Ų13080%0.80278%0.784SS**  trans-40.5153.3-176.4-49.5-13.5000117.5
740A28.4Very low30.9Very low95 Ų95130.5 Ų130.579%0.78579%0.79SS**  cis88125.42100000117.3
741E24.9Very low30.8Very low201 Ų201126.8 Ų126.894%0.93978%0.78SS**  trans-147.5136.8159.6-135.4178.7-142.900109.1
742S27.6Very low30.9Very low111 Ų111130 Ų13078%0.77679%0.792SS**  trans-165.9138.9-175.360.70000111.9
743V28.3Very low30.9Very low151 Ų151127.6 Ų127.692%0.91579%0.79SS**  trans-137.8147.6174.7-176.30000110.6
744S30.3Very low31.1Very low106 Ų106126.1 Ų126.174%0.74179%0.785SS**  trans-120.7162-166.750.90000114.8
745P47.2Very low31.2Very low117 Ų117127.7 Ų127.776%0.7680%0.796SS**  trans-82.3-173.1176.737.3-39.6000113
746P46Very low31.3Very low120 Ų120125.5 Ų125.578%0.77979%0.794SS**  cis-118.6-127.80.343.4-24000110.7
747P38.6Very low31.7Very low114 Ų114129.2 Ų129.274%0.7480%0.8SS**  cis-122.7-177.1-543.4-26.8000115.9
748P54.2Low32.6Very low117 Ų117125 Ų12576%0.7679%0.792SS**  trans-114.9167.1-179.941.4-33.1000116.3
749L28.2Very low31.9Very low169 Ų169125.7 Ų125.789%0.88580%0.798SS**  trans-176.4159.5149-106.1163.4000115.1
750S28.4Very low31.8Very low110 Ų110125.6 Ų125.677%0.76980%0.797SS**  trans5155.2160.457.30000122.9
751G25.5Very low31.7Very low65 Ų65127.1 Ų127.167%0.6780%0.795SS**  cis151.9177.34.800000112.3
752C25.2Very low31.6Very low127 Ų127122.1 Ų122.186%0.85878%0.783SS**  trans69153.1176-64.80000115.9
753T27.5Very low31.5Very low129 Ų129123.3 Ų123.379%0.79179%0.785SS**  cis-167171.5-3.413.90000107.9
754S28.2Very low31.4Very low95 Ų95121 Ų12166%0.66478%0.782SS**  cis-171.4160.1-3.842.50000111.4
755S28Very low31.1Very low120 Ų120120.9 Ų120.984%0.83978%0.781SS**  trans73.615315778.90000118.8
756S27.8Very low30.1Very low115 Ų115123.4 Ų123.480%0.80479%0.787SS**  cis-135.5172.710.658.90000114.6
757Q30Very low29.2Very low186 Ų186122.8 Ų122.887%0.86979%0.786SS**  trans-110.1-150.4-169.6-63.6179.8-58.100112.4
758P45.9Very low28.6Very low107 Ų107124.8 Ų124.870%0.69579%0.79SS**  -129-171.1-89.240.9-24.1000113.9
759C23.4Very low27.3Very low134 Ų134127.5 Ų127.591%0.90580%0.797SS**  trans-152.6167.9145.7-136.30000112.3
760L24.8Very low27.2Very low149 Ų149124.7 Ų124.778%0.7879%0.791SS**  trans-155.6164.8-155.1-142.1151000112.9
761V25.8Very low27.1Very low126 Ų126125 Ų12576%0.76479%0.793SS**  trans75.6148.2172.6-160.50000113.1
762S23.5Very low27.3Very low97 Ų97130.6 Ų130.668%0.67880%0.801SS**  cis-136.9142.611.5-155.30000109.3
763V25.5Very low28.3Very low136 Ų136129.2 Ų129.282%0.82479%0.791SS**  47105.469.4-170.10000115.5
764A25.5Very low28.4Very low101 Ų101131.1 Ų131.184%0.83579%0.79SS**  trans-155165.5156.300000108.7
765S24.8Very low28.4Very low104 Ų104132.9 Ų132.973%0.72780%0.797SS**  trans-150166.7-163.564.70000115
766L25.5Very low28.4Very low171 Ų171132 Ų13290%0.89580%0.798SS**  trans70.2157.2172.5-60.4154.1000114.1
767S26.5Very low28.4Very low107 Ų107131 Ų13175%0.74880%0.796SS**  cis-145.2166.612.652.20000112.9
768N26.5Very low28.4Very low155 Ų155130 Ų13083%0.82980%0.796SS**  trans-69.8157.3168.1-66.8-31.7000111.8
769I27Very low28Very low175 Ų175130.9 Ų130.990%0.89780%0.801SS**  trans-160.4151.4132-103.5151.2000110.1
770S26.3Very low28.3Very low109 Ų109128.6 Ų128.676%0.76279%0.792SS**  trans-119.2143.2-170.756.40000112.9
771S27Very low28.6Very low116 Ų116129.6 Ų129.681%0.81179%0.793SS**  trans-169.1111.9149.453.30000114.7
772H29.1Very low28.7Very low183 Ų183130.2 Ų130.285%0.84779%0.792SS**  trans-71.8166.7133.9-84.7-53000108.1
773P46.3Very low29Very low98 Ų98132.2 Ų132.264%0.63680%0.795SS**  cis-154.4-166.344.229.6-0.4000118.1
774H28.9Very low29Very low169 Ų169132.2 Ų132.278%0.78279%0.79SS**  trans100.4104.5152.1-67.2-52.2000122.7
775T29.1Very low29.1Very low132 Ų132132.8 Ų132.881%0.8179%0.787SS**  trans-43.7139.6144.847.80000117.1
776A27.3Very low29.3Very low103 Ų103135.9 Ų135.985%0.85179%0.794SS**  trans171.1160.2141.600000108.8
777A27.2Very low30.2Very low93 Ų93133.3 Ų133.377%0.76979%0.788SS**  cis-163169.9-31.100000107.3
778L31.7Very low30.3Very low165 Ų165133.1 Ų133.186%0.86479%0.792SS**  trans-69.1160.1170.9-74.9159000111.5
779P37.5Very low30.5Very low125 Ų125135.4 Ų135.481%0.81280%0.795SS**  -131.8172.5109.239-33.1000113.9
780A28.3Very low30.6Very low87 Ų87133.4 Ų133.472%0.71979%0.791SS**  trans-141-174.3175.600000110.4
781E31.6Very low30.7Very low169 Ų169137.1 Ų137.179%0.7979%0.793SS**  trans83.4146.6165.9-56.5-163.7136.300120.5
782N28.5Very low30.7Very low140 Ų140136.4 Ų136.475%0.74979%0.788SS**  trans68140.6161.7-51.9-30.7000116.8
783D28.5Very low30.8Very low138 Ų138134 Ų13474%0.73879%0.786SS**  cis-156.9-176.9-1.9-145.64.5000107.5
784L26.9Very low30.3Very low136 Ų136134.2 Ų134.271%0.71279%0.788SS**  cis-154.3156.93.1176.459.3000109.2
785C26.8Very low30.2Very low114 Ų114132.5 Ų132.577%0.7779%0.793SS**  trans-90.2148171.3-63.90000113.9
786L28.6Very low30.1Very low169 Ų169132.7 Ų132.789%0.88579%0.788SS**  trans-166.9154.3144-100.6158.9000110.5
787P46Very low30.2Very low117 Ų117136.9 Ų136.976%0.7679%0.79SS**  trans-116.1170.1-164.542.4-34.9000115.9
788A27.8Very low30.3Very low102 Ų102143.2 Ų143.284%0.84380%0.795SS**  trans-144.3144.7159.700000112.4
789K30.6Very low30.1Very low203 Ų203139.9 Ų139.988%0.88379%0.786SS**  trans-125.3124.5171.7-78.1-179.7176.41760109.9
790T28.6Very low29.8Very low134 Ų134139.4 Ų139.482%0.82278%0.776SS**  trans-159.9120.5154.96.20000115
791K28.2Very low30Very low186 Ų186142.9 Ų142.981%0.80978%0.778SS**  trans25.5104.9135.1-64.1-177.5178.5-178.60120.4
792S28.6Very low30.1Very low101 Ų101141.8 Ų141.871%0.70678%0.777SS**  46.8155.7109.867.90000123.7
793V29.3Very low30.1Very low132 Ų132141.5 Ų141.580%0.878%0.78SS**  trans76.7164167.9-120.60000115.4
794P36.6Very low30.3Very low103 Ų103141.5 Ų141.567%0.66978%0.778SS**  -121.8168.7-102.542-28.4000115.3
795C26.6Very low31.3Very low133 Ų133141 Ų14190%0.89978%0.782SS**  trans-100.9129.8165.3-70.90000111.5
796I27.2Very low31.6Very low137 Ų137140.5 Ų140.570%0.70378%0.776SS**  trans-94.9146.4175.8-64.5164.1000108.5
797H29Very low33Very low191 Ų191137.5 Ų137.588%0.88477%0.767SS**  trans-116.5139.7159.8-107.3-83.7000109.9
798Y28.9Very low32.2Very low225 Ų225139.5 Ų139.588%0.88277%0.77SS**  trans-77158.1-174-96-104.1000113.6
799S28.5Very low32.3Very low96 Ų96138.7 Ų138.767%0.67176%0.758SS**  trans-120.5179.5171.960.20000111.5
800N30.8Very low32.3Very low114 Ų114138.5 Ų138.561%0.6176%0.76SS**  trans105.3113170.4-64.947.4000112.9
801E32.5Very low32.3Very low160 Ų160135.3 Ų135.375%0.74875%0.754SS**  9114387.1-80.4169.9174.400111.5
802D33.7Very low32.3Very low146 Ų146135.9 Ų135.978%0.78176%0.76SS**  cis-165.7-161.7-17.2-154.3-19.9000108.4
803V28.4Very low32.2Very low134 Ų134135.1 Ų135.181%0.81276%0.755SS**  trans117.6123.4151.4-178.30000116
804M32.7Very low32.1Very low139 Ų139136 Ų13669%0.68575%0.754SS**  trans-109.7179.5175.8-153.5-170.6-163.300110.5T806M804-T806 HydrophobicContact CE-CG2 3.57Å; M804-T806 HydrophobicContact SD-CG2 3.64Å
805P47.6Very low31.8Very low124 Ų124138.8 Ų138.881%0.80576%0.758SS**  -147174.7102.935.9-18.3000116.8
806T33Very low31.9Very low104 Ų104137.2 Ų137.264%0.63875%0.748SS**  trans-130.9-165.7-173.2270000109.7M804M804-T806 HydrophobicContact CE-CG2 3.57Å; M804-T806 HydrophobicContact SD-CG2 3.64Å
807P58.8Low31.9Very low107 Ų107138.1 Ų138.170%0.69576%0.755SS**  cis-132-165.2-26.726.5-2.9000113.2
808L29.7Very low31.8Very low158 Ų158134.3 Ų134.383%0.82775%0.749SS**  trans132.1142.6143.8-70.7168.6000112.4
809S29.5Very low31.8Very low85 Ų85129.2 Ų129.259%0.59474%0.742SS**  cis-172.1142.2-22.848.80000109.8
810E30.6Very low31.9Very low199 Ų199133.6 Ų133.693%0.9375%0.751SS**  trans54.6148155.3-59.9175.7157.600120
811G27.7Very low31.8Very low67 Ų67131.5 Ų131.569%0.69175%0.75SS**  cis166.5158.4-7.200000111.7
812Q28Very low31.8Very low199 Ų199132.2 Ų132.293%0.9375%0.753SS**  trans60.1167.7165.6-67179.8-1.700117.9
813S27.1Very low31.6Very low85 Ų85132.4 Ų132.459%0.59476%0.755SS**  cis-170.4-178-4162.60000108.1
814L27.9Very low31.9Very low149 Ų149133.1 Ų133.178%0.7875%0.754SS**  trans67.7173.6169.9-59.4159.8000116.7
815E29Very low32.6Very low162 Ų162132.1 Ų132.176%0.75776%0.758SS**  -167.8147.5-64.2-119-168.8148.200110.4
816S28.3Very low31.9Very low100 Ų100133.1 Ų133.170%0.69976%0.756SS**  trans63128.7151.273.70000123.9
817N27.7Very low31.9Very low157 Ų157136.4 Ų136.484%0.8477%0.767SS**  trans34.1115.4135.1-60.7-14.8000123.8
818S27.8Very low30.6Very low110 Ų110136.2 Ų136.277%0.76976%0.764SS**  -172.1142.8123.926.40000108
819T29.1Very low30.6Very low118 Ų118138 Ų13872%0.72477%0.768SS**  cis81.1121.331.867.20000115.7
820H30.4Very low30.7Very low188 Ų188140.3 Ų140.387%0.8777%0.773SS**  trans75149.1-178.8-60.4-86.9000116.2
821A28.8Very low30.6Very low71 Ų71139 Ų13959%0.58777%0.772SS**  cis-167.6154-20.700000112.3
822E31.5Very low30.7Very low174 Ų174140.7 Ų140.781%0.81377%0.769SS**  trans64.8161.3147.9-76.6178144.200123.4
823N29.1Very low30.8Very low151 Ų151137.8 Ų137.881%0.80776%0.76SS**  trans8294.4161.6-58-37.6000121
824D35.7Very low31Very low148 Ų148137.4 Ų137.479%0.79176%0.757SS**  trans-44.7155.3135.8-102-39.3000112.3
825P48.1Very low31Very low119 Ų119140.4 Ų140.477%0.77376%0.758SS**  -150.6178.371.841.4-21.7000118.3
826L32.4Very low31Very low145 Ų145139.5 Ų139.576%0.75976%0.759SS**  trans-56151.8176.9-69.276.1000114.5
827I32.3Very low30.9Very low172 Ų172142.4 Ų142.488%0.88277%0.765SS**  trans-121.5142.6145.1-69.3-178.6000108.9
828T32.4Very low31Very low103 Ų103142.7 Ų142.763%0.63276%0.762SS**  trans-110.6142.7-176.4-54.10000109.8L830T828-L830 HydrophobicContact CG2-CD1 4.15Å
829E29.9Very low31.2Very low195 Ų195146.6 Ų146.691%0.91177%0.765SS**  trans-148.9151.1142.7-137.4168-161.500112.3
830L31.3Very low31.2Very low134 Ų134147.7 Ų147.770%0.70277%0.772SS**  trans-108.6159.7176.4-63.590.3000109.2T828T828-L830 HydrophobicContact CG2-CD1 4.15Å
831L28.3Very low31.2Very low172 Ų172143.8 Ų143.890%0.90177%0.766SS**  trans-146.2136.3133.3-110.3171.9000111.6
832T30.5Very low31.5Very low102 Ų102146.4 Ų146.463%0.62677%0.774SS**  trans-105.7-177.7170.358.10000107.3
833N29.9Very low31.8Very low138 Ų138151.2 Ų151.274%0.73879%0.792SS**  cis-169.8-177.618.6-149.6-30.6000110.3
834S29.7Very low31.9Very low77 Ų77151.2 Ų151.254%0.53879%0.792SS.*  trans72147.1157.5-67.20000118.4
835R27.7Very low31.7Very low213 Ų213151.4 Ų151.480%0.80479%0.792SS**  cis-153.5129.8-8-105.4155-166.1175.42106.9
836D30.1Very low30.8Very low143 Ų143153.2 Ų153.277%0.76579%0.793SS**  59.8113.986.4-74.8-50000116.2
837L27.1Very low30.7Very low160 Ų160153.6 Ų153.684%0.83880%0.795SS**  trans-171.199.4133.5-104165.7000112.6
838Q28.9Very low30.6Very low163 Ų163152.5 Ų152.576%0.76279%0.789SS**  trans28.6117.1131.7-65.6-169.2-8.100119.8
839F31.9Very low30.5Very low192 Ų192155.8 Ų155.884%0.84280%0.8SS**  97.8118.969-115-80.8000113.7
840T29.6Very low30.6Very low141 Ų141153 Ų15387%0.86579%0.792SS**  -175.1153.313016.10000114.6
841S29.9Very low30.5Very low107 Ų107154.5 Ų154.575%0.74880%0.799SS**  trans-11.9150.7157.7-130.20000118.2
842V36Very low30.7Very low126 Ų126153 Ų15376%0.76479%0.79SS**  -151.6139.451.9167.70000113.3
843K36.8Very low30.7Very low274 Ų274157.6 Ų157.6100%1.19181%0.805SS**  trans24.80159.7-68.7-175.1174.6-178.90119.1

Retrieved 843 of 843 residues in 661.6 ms (Link to these results)

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