A0A087X1S6_HUMAN Loading...

Pleckstrin homology domain-containing family A member 8

AlphaFold DB , UniProt , Accession A0A087X1S6, Species HUMAN (Homo sapiens, Human), Gene PLEKHA8, Length 459 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
1M90.6Very high91.7Very high77 Ų7774.8 Ų74.838%0.37935%0.353SS..  0144.80175.5175.217900107.7L22 R83 W84 A87M1-L22 HydrophobicContact CB-CB 4.4Å; M1-L22 PolarHBondContact N-O 3Å; M1-L22 PolarHBondContact O-N 3.14Å; M1-R83 HydrophobicContact CE-CB 3.91Å; M1-W84 HydrophobicContact CE-CB 4.38Å; M1-W84 HydrophobicContact CE-CD2 3.49Å; M1-W84 VanDerWaalsContact CE-CD2 3.49Å; M1-W84 HydrophobicContact CE-CE3 4.04Å; M1-W84 HydrophobicContact CE-CG 3.63Å; M1-W84 HydrophobicContact CE-CZ2 4.23Å; M1-W84 HydrophobicContact CG-CE3 4.36Å; M1-W84 HydrophobicContact CG-CH2 4.31Å; M1-W84 HydrophobicContact CG-CZ3 4.18Å; M1-W84 HydrophobicContact SD-CD2 3.96Å; M1-W84 HydrophobicContact SD-CE3 3.86Å; M1-W84 HydrophobicContact SD-CG 4.37Å; M1-W84 HydrophobicContact SD-CZ3 4.28Å; M1-A87 HydrophobicContact CB-CB 4.14Å; M1-A87 HydrophobicContact CG-CB 4.38Å; M1-A87 HydrophobicContact SD-CB 3.35Å; M1-A87 WeakPolarHBondContact SD-CB 3.38Å
2E93.7Very high90.3Very high123 Ų12382.8 Ų82.858%0.57540%0.399SS*.EExtended strand (participates in β ladder)trans-144.2166.8179.161-170.2-121.600111.4W19 F20 L21E2-W19 HydrophobicContact CB-CZ2 3.73Å; E2-W19 HydrophobicContact CG-CZ2 4.21Å; E2-F20 CarbonylContact C-O 3.5Å; E2-F20 WeakPolarHBondContact CA-O 3.39Å; E2-L21 HydrophobicContact CB-CD1 3.98Å
3G94.3Very high89.7Confident22 Ų2281.1 Ų81.123%0.22740%0.4CS..EExtended strand (participates in β ladder)trans151.4173.3176.800000112.9F20G3-F20 PolarHBondContact N-O 2.65Å; G3-F20 PolarHBondContact O-N 2.8Å
4V95.6Very high89.8Confident65 Ų6576.2 Ų76.239%0.39438%0.381SS..EExtended strand (participates in β ladder)trans-81.8136.1177.6179.70000110.5P17 R18V4-P17 HydrophobicContact CG1-CB 3.83Å; V4-R18 WeakPolarHBondContact CA-O 3.39Å
5L96.7Very high90.1Very high0 Ų076.7 Ų76.70%038%0.377CS..EExtended strand (participates in β ladder)trans-128.8147163-68.4170.5000108.8K7 R18 F20 M61 L73 A75 W84L5-K7 PolarHBondContact O-N 3.4Å; L5-R18 PolarHBondContact N-O 3.25Å; L5-R18 PolarHBondContact O-N 2.69Å; L5-R18 VanDerWaalsContact O-O 3.12Å; L5-F20 HydrophobicContact CB-CD2 3.66Å; L5-F20 HydrophobicContact CB-CE2 3.74Å; L5-F20 HydrophobicContact CD1-CD2 4.1Å; L5-F20 HydrophobicContact CD1-CE2 4.47Å; L5-F20 HydrophobicContact CD1-CG 4.21Å; L5-F20 HydrophobicContact CG-CD2 4.21Å; L5-M61 HydrophobicContact CD1-CE 3.46Å; L5-M61 VanDerWaalsContact CD1-CE 3.46Å; L5-M61 HydrophobicContact CD2-CE 3.94Å; L5-M61 HydrophobicContact CG-CE 4.37Å; L5-L73 HydrophobicContact CD1-CB 4.45Å; L5-L73 HydrophobicContact CD1-CD1 4.04Å; L5-A75 HydrophobicContact CD2-CB 3.75Å; L5-W84 HydrophobicContact CD1-CD2 3.96Å; L5-W84 HydrophobicContact CD1-CE3 4.47Å; L5-W84 HydrophobicContact CD1-CG 4.22Å; L5-W84 HydrophobicContact CD1-CZ2 4.2Å; L5-W84 HydrophobicContact CD2-CG 4.27Å; L5-W84 HydrophobicContact CG-CD2 4.48Å; L5-W84 HydrophobicContact CG-CZ2 4.31Å
6Y96.8Very high90.4Very high98 Ų9876.1 Ų76.138%0.38437%0.373SS..EExtended strand (participates in β ladder)trans-79.3119168.8-63.4-89.4000108.5W15 Q16 P17 L73 K74Y6-W15 WeakPolarHBondContact O-CZ3 3.18Å; Y6-Q16 CarbonylContact C-O 3.42Å; Y6-Q16 WeakPolarHBondContact CA-O 3.42Å; Y6-P17 HydrophobicContact CD1-CB 4.18Å; Y6-P17 HydrophobicContact CE1-CB 4Å; Y6-P17 HydrophobicContact CE1-CG 4.41Å; Y6-L73 CarbonylContact O-C 3.53Å; Y6-L73 WeakPolarHBondContact O-CA 3.47Å; Y6-K74 PolarHBondContact N-O 3.06Å; Y6-K74 PolarHBondContact O-N 3.02Å
7K95.2Very high90.6Very high24 Ų2475.2 Ų75.210%0.10437%0.374CS..EExtended strand (participates in β ladder)trans-103.2134.8174.9-172.9-170.6175.7-66.90109.4L5 Q16 R18 F20 Y29 F71 L73L5-K7 PolarHBondContact O-N 3.4Å; K7-Q16 PolarHBondContact N-O 3.43Å; K7-Q16 PolarHBondContact O-N 2.8Å; K7-R18 HydrophobicContact CB-CG 4.24Å; K7-F20 HydrophobicContact CB-CE2 4.35Å; K7-F20 HydrophobicContact CB-CZ 4.21Å; K7-F20 HydrophobicContact CD-CZ 4.3Å; K7-F20 HydrophobicContact CG-CZ 4.45Å; K7-Y29 HydrophobicContact CD-CD2 4.39Å; K7-Y29 HydrophobicContact CD-CE1 4.44Å; K7-Y29 HydrophobicContact CD-CE2 3.93Å; K7-F71 HydrophobicContact CD-CD2 4.36Å; K7-F71 HydrophobicContact CD-CE2 4.48Å; K7-L73 HydrophobicContact CB-CD2 3.89Å; K7-L73 HydrophobicContact CG-CD2 3.82Å
8W93.6Very high90.9Very high75 Ų7574.1 Ų74.128%0.28437%0.365SS..EExtended strand (participates in β ladder)trans-67.8137.8168-173.1-102.6000110.8Y11 G14 W15 Y72W8-Y11 HydrophobicContact CZ2-CD1 4.12Å; W8-Y11 HydrophobicContact CZ2-CE1 4.44Å; W8-G14 VanDerWaalsContact CE3-C 3.43Å; W8-G14 VanDerWaalsContact CZ3-CA 3.43Å; W8-W15 HydrophobicContact CB-CD2 4.47Å; W8-W15 HydrophobicContact CB-CE3 4.26Å; W8-W15 HydrophobicContact CB-CH2 4.38Å; W8-W15 HydrophobicContact CB-CZ3 4.22Å; W8-W15 AromaticContact CE3-CD1 3.56Å; W8-W15 AromaticContact CE3-CD2 3.94Å; W8-W15 HydrophobicContact CE3-CD2 3.94Å; W8-W15 AromaticContact CE3-CE2 3.75Å; W8-W15 AromaticContact CE3-CG 3.82Å; W8-W15 HydrophobicContact CE3-CG 3.82Å; W8-W15 HydrophobicContact CE3-CZ2 4.45Å; W8-W15 AromaticContact CE3-NE1 3.49Å; W8-W15 AromaticContact CZ3-CD1 3.62Å; W8-W15 HydrophobicContact CZ3-CG 4.27Å; W8-W15 AromaticContact CZ3-NE1 3.68Å; W8-Y72 HydrophobicContact CB-CD2 4.06Å; W8-Y72 HydrophobicContact CB-CG 4.46Å; W8-Y72 HydrophobicContact CG-CD2 4.32Å; W8-Y72 PolarHBondContact N-O 3.38Å
9T87Confident91.1Very high50 Ų5071.8 Ų71.831%0.30735%0.352SS..  trans-115.3-64.3-175.753.50000112.1S13 G14 Q16T9-S13 WeakPolarHBondContact OG1-CB 3.33Å; T9-G14 PolarHBondContact N-O 2.94Å; T9-G14 PolarHBondContact OG1-O 3.18Å; T9-Q16 HydrophobicContact CG2-CB 3.86Å; T9-Q16 HydrophobicContact CG2-CG 3.85Å
10N85.3Confident91.4Very high70 Ų7068.2 Ų68.237%0.37433%0.334SS..  trans-163179.8176.160.655.5000109.5L12 S13 G14N10-L12 VanDerWaalsContact C-N 3.3Å; N10-L12 PolarHBondContact O-N 3.27Å; N10-L12 WeakPolarHBondContact OD1-CA 3.5Å; N10-L12 WeakPolarHBondContact OD1-CB 3.49Å; N10-L12 PolarHBondContact OD1-N 3.03Å; N10-S13 PolarHBondContact OD1-N 2.98Å; N10-G14 VanDerWaalsContact O-CA 3.23Å; N10-G14 WeakPolarHBondContact O-CA 3.43Å; N10-G14 PolarHBondContact O-N 3.38Å
11Y79.6Confident91.5Very high219 Ų21967.1 Ų67.186%0.85933%0.33SS*.THydrogen-bonded Turntrans-68.9-18.7-179.7-70.1-77.6000115.5W8W8-Y11 HydrophobicContact CZ2-CD1 4.12Å; W8-Y11 HydrophobicContact CZ2-CE1 4.44Å
12L75.8Confident91.6Very high171 Ų17164.1 Ų64.190%0.89532%0.315SS*.THydrogen-bonded Turntrans-88.7-38.3-179.6-60.1171.4000112.3N10N10-L12 VanDerWaalsContact C-N 3.3Å; N10-L12 PolarHBondContact O-N 3.27Å; N10-L12 WeakPolarHBondContact OD1-CA 3.5Å; N10-L12 WeakPolarHBondContact OD1-CB 3.49Å; N10-L12 PolarHBondContact OD1-N 3.03Å
13S81.9Confident91.4Very high60 Ų6062.4 Ų62.442%0.4232%0.316SS..THydrogen-bonded Turntrans-104.4-15.9-176.8-52.10000113.5T9 N10 Q16T9-S13 WeakPolarHBondContact OG1-CB 3.33Å; N10-S13 PolarHBondContact OD1-N 2.98Å; S13-Q16 PolarHBondContact O-NE2 3.4Å
14G91.8Very high90.6Very high13 Ų1364.9 Ų64.913%0.13434%0.341CS..  trans58.8-135172.700000114.9W8 T9 N10W8-G14 VanDerWaalsContact CE3-C 3.43Å; W8-G14 VanDerWaalsContact CZ3-CA 3.43Å; T9-G14 PolarHBondContact N-O 2.94Å; T9-G14 PolarHBondContact OG1-O 3.18Å; N10-G14 VanDerWaalsContact O-CA 3.23Å; N10-G14 WeakPolarHBondContact O-CA 3.43Å; N10-G14 PolarHBondContact O-N 3.38Å
15W93.8Very high90.2Very high83 Ų8362.3 Ų62.331%0.31433%0.328SS..EExtended strand (participates in β ladder)trans-78.9117.9174.1-68.6100.4000110.3Y6 W8 R60 Y72 K74Y6-W15 WeakPolarHBondContact O-CZ3 3.18Å; W8-W15 HydrophobicContact CB-CD2 4.47Å; W8-W15 HydrophobicContact CB-CE3 4.26Å; W8-W15 HydrophobicContact CB-CH2 4.38Å; W8-W15 HydrophobicContact CB-CZ3 4.22Å; W8-W15 AromaticContact CE3-CD1 3.56Å; W8-W15 AromaticContact CE3-CD2 3.94Å; W8-W15 HydrophobicContact CE3-CD2 3.94Å; W8-W15 AromaticContact CE3-CE2 3.75Å; W8-W15 AromaticContact CE3-CG 3.82Å; W8-W15 HydrophobicContact CE3-CG 3.82Å; W8-W15 HydrophobicContact CE3-CZ2 4.45Å; W8-W15 AromaticContact CE3-NE1 3.49Å; W8-W15 AromaticContact CZ3-CD1 3.62Å; W8-W15 HydrophobicContact CZ3-CG 4.27Å; W8-W15 AromaticContact CZ3-NE1 3.68Å; W15-R60 HydrophobicContact CH2-CG 4.47Å; W15-Y72 VanDerWaalsContact CZ3-O 3.3Å; W15-Y72 WeakPolarHBondContact CZ3-O 3.17Å; W15-K74 HydrophobicContact CE3-CB 4.05Å; W15-K74 HydrophobicContact CH2-CB 4.17Å; W15-K74 HydrophobicContact CZ3-CB 3.75Å
16Q94.3Very high89.9Confident68 Ų6864.9 Ų64.932%0.31834%0.341SS..EExtended strand (participates in β ladder)trans-117.7133.6179.6-70.6-67.2-45.400110.2Y6 K7 T9 S13 R18Y6-Q16 CarbonylContact C-O 3.42Å; Y6-Q16 WeakPolarHBondContact CA-O 3.42Å; K7-Q16 PolarHBondContact N-O 3.43Å; K7-Q16 PolarHBondContact O-N 2.8Å; T9-Q16 HydrophobicContact CG2-CB 3.86Å; T9-Q16 HydrophobicContact CG2-CG 3.85Å; S13-Q16 PolarHBondContact O-NE2 3.4Å; Q16-R18 PolarHBondContact O-N 3.41Å
17P95.2Very high89.7Confident61 Ų6160.2 Ų60.240%0.39632%0.323SS..EExtended strand (participates in β ladder)trans-62.1138.6171.429-33.9000109.3V4 Y6V4-P17 HydrophobicContact CG1-CB 3.83Å; Y6-P17 HydrophobicContact CD1-CB 4.18Å; Y6-P17 HydrophobicContact CE1-CB 4Å; Y6-P17 HydrophobicContact CE1-CG 4.41Å
18R95.4Very high89.6Confident54 Ų5460 Ų6020%0.20433%0.325CS..EExtended strand (participates in β ladder)trans-140.1145.6170.1-60.9-63.9156.6174-11.3108.2V4 L5 K7 Q16 F20 Y29 Y30 D31V4-R18 WeakPolarHBondContact CA-O 3.39Å; L5-R18 PolarHBondContact N-O 3.25Å; L5-R18 PolarHBondContact O-N 2.69Å; L5-R18 VanDerWaalsContact O-O 3.12Å; K7-R18 HydrophobicContact CB-CG 4.24Å; Q16-R18 PolarHBondContact O-N 3.41Å; R18-F20 HydrophobicContact CB-CD2 4.24Å; R18-F20 HydrophobicContact CB-CE2 3.79Å; R18-F20 WeakPolarHBondContact O-CD2 3.29Å; R18-Y29 HydrophobicContact CB-CD2 3.84Å; R18-Y29 HydrophobicContact CG-CD2 3.76Å; R18-Y29 HydrophobicContact CG-CE2 4.07Å; R18-Y30 WeakPolarHBondContact CA-O 3.46Å; R18-Y30 WeakPolarHBondContact CB-O 3.45Å; R18-Y30 WeakPolarHBondContact CD-O 3.49Å; R18-D31 IonicContact CZ-OD1 3.3Å; R18-D31 IonicContact NH1-OD1 3.66Å; R18-D31 PolarHBondContact NH1-OD1 3.46Å
19W95.3Very high89.6Confident31 Ų3158 Ų5812%0.11732%0.317CS..EExtended strand (participates in β ladder)trans-84.6126.1171.6-176.876.7000109.6E2 L21 Y29 Y30 P33E2-W19 HydrophobicContact CB-CZ2 3.73Å; E2-W19 HydrophobicContact CG-CZ2 4.21Å; W19-L21 HydrophobicContact CH2-CB 4.01Å; W19-L21 HydrophobicContact CH2-CD1 4.36Å; W19-L21 HydrophobicContact CH2-CD2 4.09Å; W19-L21 HydrophobicContact CH2-CG 4.38Å; W19-L21 HydrophobicContact CZ3-CB 4.06Å; W19-L21 HydrophobicContact CZ3-CD2 4.37Å; W19-Y29 CarbonylContact O-C 3.54Å; W19-Y29 VanDerWaalsContact O-CA 3.3Å; W19-Y29 WeakPolarHBondContact O-CA 3.31Å; W19-Y30 AromaticContact CE3-CD2 3.51Å; W19-Y30 HydrophobicContact CE3-CD2 3.51Å; W19-Y30 HydrophobicContact CE3-CE2 4.18Å; W19-Y30 HydrophobicContact CE3-CG 4.17Å; W19-Y30 AromaticContact CZ3-CD2 3.68Å; W19-Y30 HydrophobicContact CZ3-CD2 3.68Å; W19-Y30 AromaticContact CZ3-CE2 3.88Å; W19-Y30 HydrophobicContact CZ3-CE2 3.88Å; W19-Y30 HydrophobicContact CZ3-CG 4.48Å; W19-Y30 PolarHBondContact N-O 3.37Å; W19-Y30 VanDerWaalsContact N-O 3.16Å; W19-Y30 PolarHBondContact O-N 3.14Å; W19-P33 HydrophobicContact CB-CG 4.22Å; W19-P33 HydrophobicContact CD2-CB 4.2Å; W19-P33 HydrophobicContact CD2-CG 4.06Å; W19-P33 HydrophobicContact CG-CB 4.4Å; W19-P33 HydrophobicContact CG-CG 3.75Å
20F95.6Very high89.8Confident0 Ų057.4 Ų57.40%031%0.31CS..EExtended strand (participates in β ladder)trans-108.9141.7-179.7-79.2-99.1000110.5E2 G3 L5 K7 R18 L27 S28 Y29 F71 L73 W84E2-F20 CarbonylContact C-O 3.5Å; E2-F20 WeakPolarHBondContact CA-O 3.39Å; G3-F20 PolarHBondContact N-O 2.65Å; G3-F20 PolarHBondContact O-N 2.8Å; L5-F20 HydrophobicContact CB-CD2 3.66Å; L5-F20 HydrophobicContact CB-CE2 3.74Å; L5-F20 HydrophobicContact CD1-CD2 4.1Å; L5-F20 HydrophobicContact CD1-CE2 4.47Å; L5-F20 HydrophobicContact CD1-CG 4.21Å; L5-F20 HydrophobicContact CG-CD2 4.21Å; K7-F20 HydrophobicContact CB-CE2 4.35Å; K7-F20 HydrophobicContact CB-CZ 4.21Å; K7-F20 HydrophobicContact CD-CZ 4.3Å; K7-F20 HydrophobicContact CG-CZ 4.45Å; R18-F20 HydrophobicContact CB-CD2 4.24Å; R18-F20 HydrophobicContact CB-CE2 3.79Å; R18-F20 WeakPolarHBondContact O-CD2 3.29Å; F20-L27 HydrophobicContact CB-CD1 4.17Å; F20-L27 HydrophobicContact CD1-CD1 3.88Å; F20-L27 HydrophobicContact CD1-CD2 4.03Å; F20-L27 HydrophobicContact CD1-CG 3.87Å; F20-L27 HydrophobicContact CE1-CD2 4.29Å; F20-L27 HydrophobicContact CE1-CG 4.48Å; F20-L27 HydrophobicContact CG-CD1 4.5Å; F20-S28 CarbonylContact C-O 3.59Å; F20-S28 WeakPolarHBondContact CA-O 3.42Å; F20-Y29 HydrophobicContact CE1-CD1 4.39Å; F20-Y29 HydrophobicContact CE1-CG 4.08Å; F20-Y29 HydrophobicContact CZ-CG 4.1Å; F20-F71 HydrophobicContact CE1-CD2 4.2Å; F20-F71 HydrophobicContact CE1-CE2 4.37Å; F20-L73 HydrophobicContact CE1-CD1 4.29Å; F20-L73 HydrophobicContact CE1-CD2 4.04Å; F20-L73 HydrophobicContact CE2-CD2 4.01Å; F20-L73 HydrophobicContact CZ-CD1 4.38Å; F20-L73 HydrophobicContact CZ-CD2 3.39Å; F20-W84 HydrophobicContact CB-CH2 3.62Å; F20-W84 HydrophobicContact CB-CZ2 3.98Å; F20-W84 HydrophobicContact CB-CZ3 4.43Å
21L94.1Very high89.9Confident46 Ų4656.6 Ų56.624%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-129.5113.3176.5176.262.2000109.6E2 W19 C23 S28 Y30E2-L21 HydrophobicContact CB-CD1 3.98Å; W19-L21 HydrophobicContact CH2-CB 4.01Å; W19-L21 HydrophobicContact CH2-CD1 4.36Å; W19-L21 HydrophobicContact CH2-CD2 4.09Å; W19-L21 HydrophobicContact CH2-CG 4.38Å; W19-L21 HydrophobicContact CZ3-CB 4.06Å; W19-L21 HydrophobicContact CZ3-CD2 4.37Å; L21-C23 HydrophobicContact CG-CB 4.43Å; L21-S28 PolarHBondContact N-O 3.24Å; L21-S28 PolarHBondContact O-N 3.15Å; L21-Y30 HydrophobicContact CB-CE2 4.35Å
22L93.6Very high90.3Very high14 Ų1447.3 Ų47.37%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-97.6107.8171.8176.763.8000109.6M1 I26 L27 M46 W84 A87 L88 A91M1-L22 HydrophobicContact CB-CB 4.4Å; M1-L22 PolarHBondContact N-O 3Å; M1-L22 PolarHBondContact O-N 3.14Å; L22-I26 WeakPolarHBondContact CA-O 3.37Å; L22-L27 HydrophobicContact CB-CD1 3.9Å; L22-L27 HydrophobicContact CD1-CB 4.17Å; L22-M46 HydrophobicContact CD1-CG 3.66Å; L22-M46 HydrophobicContact CD1-SD 4.13Å; L22-W84 HydrophobicContact CB-CZ3 4.05Å; L22-A87 HydrophobicContact CD2-CB 3.93Å; L22-L88 HydrophobicContact CD1-CD2 4.31Å; L22-L88 HydrophobicContact CD2-CD2 3.95Å; L22-L88 HydrophobicContact CD2-CG 4.33Å; L22-A91 HydrophobicContact CD1-CB 3.96Å; L22-A91 HydrophobicContact CD2-CB 4.04Å; L22-A91 HydrophobicContact CG-CB 4.33Å
23C87.8Confident90.5Very high87 Ų8741.8 Ų41.859%0.58825%0.247SC*.EExtended strand (participates in β ladder)trans-143.8141.9179.9-172.10000110.7L21 G25 I26L21-C23 HydrophobicContact CG-CB 4.43Å; C23-G25 PolarHBondContact O-N 3.41Å; C23-G25 VanDerWaalsContact O-N 3.09Å; C23-I26 PolarHBondContact N-O 2.92Å; C23-I26 PolarHBondContact O-N 3.48Å
24G79.4Confident90.4Very high74 Ų7445.6 Ų45.676%0.76326%0.258SS*.THydrogen-bonded Turntrans58.524.617500000115.7I26G24-I26 VanDerWaalsContact C-N 3.32Å
25G86.1Confident89.7Confident11 Ų1146.6 Ų46.611%0.11326%0.26CS..THydrogen-bonded Turntrans78.112.4-173.900000114.8C23 M46C23-G25 PolarHBondContact O-N 3.41Å; C23-G25 VanDerWaalsContact O-N 3.09Å; G25-M46 WeakPolarHBondContact O-CB 3.45Å; G25-M46 WeakPolarHBondContact O-CG 3.23Å; G25-M46 PolarHBondContact O-N 3.4Å
26I90Very high88.7Confident53 Ų5344.5 Ų44.527%0.27226%0.261SS..EExtended strand (participates in β ladder)trans-119.7132.2176.4-56.9174.6000109L22 C23 G24 I44 Q45L22-I26 WeakPolarHBondContact CA-O 3.37Å; C23-I26 PolarHBondContact N-O 2.92Å; C23-I26 PolarHBondContact O-N 3.48Å; G24-I26 VanDerWaalsContact C-N 3.32Å; I26-I44 CarbonylContact C-O 3.58Å; I26-I44 WeakPolarHBondContact CA-O 3.46Å; I26-Q45 HydrophobicContact CG1-CG 4.48Å
27L93.8Very high87.4Confident0 Ų051 Ų510%028%0.283CS..EExtended strand (participates in β ladder)trans-102.8103.1172.2179.172.6000109.4F20 L22 S43 I44 M46 L63 W84 L88F20-L27 HydrophobicContact CB-CD1 4.17Å; F20-L27 HydrophobicContact CD1-CD1 3.88Å; F20-L27 HydrophobicContact CD1-CD2 4.03Å; F20-L27 HydrophobicContact CD1-CG 3.87Å; F20-L27 HydrophobicContact CE1-CD2 4.29Å; F20-L27 HydrophobicContact CE1-CG 4.48Å; F20-L27 HydrophobicContact CG-CD1 4.5Å; L22-L27 HydrophobicContact CB-CD1 3.9Å; L22-L27 HydrophobicContact CD1-CB 4.17Å; L27-S43 CarbonylContact O-C 3.49Å; L27-S43 VanDerWaalsContact O-CA 3.3Å; L27-S43 WeakPolarHBondContact O-CA 3.33Å; L27-I44 PolarHBondContact N-O 3.33Å; L27-I44 PolarHBondContact O-N 2.7Å; L27-M46 HydrophobicContact CB-SD 3.87Å; L27-L63 HydrophobicContact CD2-CD1 3.31Å; L27-W84 HydrophobicContact CD1-CH2 4.33Å; L27-W84 HydrophobicContact CD1-CZ3 3.77Å; L27-L88 HydrophobicContact CD1-CD2 4.15Å; L27-L88 HydrophobicContact CD2-CD2 3.91Å; L27-L88 HydrophobicContact CG-CD2 4.44Å
28S93.1Very high86.4Confident21 Ų2153.5 Ų53.515%0.14729%0.287CS..EExtended strand (participates in β ladder)trans-98.8155.9175.3-63.20000111.4F20 L21 G42 S43F20-S28 CarbonylContact C-O 3.59Å; F20-S28 WeakPolarHBondContact CA-O 3.42Å; L21-S28 PolarHBondContact N-O 3.24Å; L21-S28 PolarHBondContact O-N 3.15Å; S28-G42 WeakPolarHBondContact CA-O 3.41Å; S28-S43 WeakPolarHBondContact OG-CB 3.34Å
29Y93.5Very high85.1Confident33 Ų3352.7 Ų52.713%0.12930%0.296CS..EExtended strand (participates in β ladder)trans-136.8154.2173.482.8-79.5000114.2K7 R18 W19 F20 K41 G42 F71K7-Y29 HydrophobicContact CD-CD2 4.39Å; K7-Y29 HydrophobicContact CD-CE1 4.44Å; K7-Y29 HydrophobicContact CD-CE2 3.93Å; R18-Y29 HydrophobicContact CB-CD2 3.84Å; R18-Y29 HydrophobicContact CG-CD2 3.76Å; R18-Y29 HydrophobicContact CG-CE2 4.07Å; W19-Y29 CarbonylContact O-C 3.54Å; W19-Y29 VanDerWaalsContact O-CA 3.3Å; W19-Y29 WeakPolarHBondContact O-CA 3.31Å; F20-Y29 HydrophobicContact CE1-CD1 4.39Å; F20-Y29 HydrophobicContact CE1-CG 4.08Å; F20-Y29 HydrophobicContact CZ-CG 4.1Å; Y29-K41 HydrophobicContact CD2-CB 3.99Å; Y29-K41 HydrophobicContact CE1-CB 4.15Å; Y29-K41 HydrophobicContact CE2-CB 3.49Å; Y29-K41 VanDerWaalsContact CE2-CB 3.49Å; Y29-K41 HydrophobicContact CE2-CG 4.34Å; Y29-K41 PolarHBondContact O-N 3.01Å; Y29-K41 PolarHBondContact OH-O 3.39Å; Y29-K41 VanDerWaalsContact OH-O 3.13Å; Y29-G42 WeakPolarHBondContact CD1-O 3.46Å; Y29-G42 PolarHBondContact N-O 3.38Å; Y29-F71 AromaticContact CD1-CE2 3.68Å; Y29-F71 HydrophobicContact CD1-CE2 3.68Å; Y29-F71 HydrophobicContact CD1-CZ 4.06Å; Y29-F71 AromaticContact CE1-CE2 3.67Å; Y29-F71 HydrophobicContact CE1-CE2 3.67Å; Y29-F71 AromaticContact CE1-CZ 3.59Å; Y29-F71 HydrophobicContact CE1-CZ 3.59Å
30Y91.6Very high84.5Confident37 Ų3754.2 Ų54.215%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-137.9169.7-172.5-54.8-93.6000110.1R18 W19 L21 A36 C40R18-Y30 WeakPolarHBondContact CA-O 3.46Å; R18-Y30 WeakPolarHBondContact CB-O 3.45Å; R18-Y30 WeakPolarHBondContact CD-O 3.49Å; W19-Y30 AromaticContact CE3-CD2 3.51Å; W19-Y30 HydrophobicContact CE3-CD2 3.51Å; W19-Y30 HydrophobicContact CE3-CE2 4.18Å; W19-Y30 HydrophobicContact CE3-CG 4.17Å; W19-Y30 AromaticContact CZ3-CD2 3.68Å; W19-Y30 HydrophobicContact CZ3-CD2 3.68Å; W19-Y30 AromaticContact CZ3-CE2 3.88Å; W19-Y30 HydrophobicContact CZ3-CE2 3.88Å; W19-Y30 HydrophobicContact CZ3-CG 4.48Å; W19-Y30 PolarHBondContact N-O 3.37Å; W19-Y30 VanDerWaalsContact N-O 3.16Å; W19-Y30 PolarHBondContact O-N 3.14Å; L21-Y30 HydrophobicContact CB-CE2 4.35Å; Y30-A36 HydrophobicContact CD1-CB 4.21Å; Y30-A36 HydrophobicContact CE1-CB 4.27Å; Y30-C40 HydrophobicContact CD1-CB 4.17Å; Y30-C40 VanDerWaalsContact CE1-CA 3.45Å; Y30-C40 HydrophobicContact CE1-CB 3.6Å
31D86.8Confident84Confident53 Ų5358.8 Ų58.828%0.28333%0.33SS..SBendtrans-70.4-49.5176.5-65.4-18000110.5R18 D35 K41R18-D31 IonicContact CZ-OD1 3.3Å; R18-D31 IonicContact NH1-OD1 3.66Å; R18-D31 PolarHBondContact NH1-OD1 3.46Å; D31-D35 HydrophobicContact CB-CB 4.27Å; D31-K41 WeakPolarHBondContact OD1-CE 3.39Å; D31-K41 WeakPolarHBondContact OD1-CG 3.22Å; D31-K41 IonicContact OD1-NZ 3.74Å; D31-K41 WeakPolarHBondContact OD2-CE 3.37Å; D31-K41 IonicContact OD2-NZ 3.06Å; D31-K41 PolarHBondContact OD2-NZ 3.23Å
32S86.6Confident83.6Confident24 Ų2457.5 Ų57.517%0.16833%0.328CS..  trans-141.6167.5173.168.10000109.8E34 D35S32-E34 VanDerWaalsContact C-N 3.25Å; S32-E34 WeakPolarHBondContact CB-OE2 3.4Å; S32-E34 PolarHBondContact O-N 3.02Å; S32-E34 PolarHBondContact OG-N 2.97Å; S32-E34 PolarHBondContact OG-OE2 3.14Å; S32-D35 WeakPolarHBondContact CB-OD2 3.45Å; S32-D35 PolarHBondContact O-N 3.25Å; S32-D35 VanDerWaalsContact OG-CB 3.3Å; S32-D35 WeakPolarHBondContact OG-CB 3.23Å; S32-D35 PolarHBondContact OG-N 2.9Å; S32-D35 PolarHBondContact OG-OD2 3Å
33P81.6Confident83.4Confident55 Ų5560 Ų6036%0.35735%0.347SS..SBendtrans-56.8-40.6166.2-18.227.2000112.2W19 D35 A36W19-P33 HydrophobicContact CB-CG 4.22Å; W19-P33 HydrophobicContact CD2-CB 4.2Å; W19-P33 HydrophobicContact CD2-CG 4.06Å; W19-P33 HydrophobicContact CG-CB 4.4Å; W19-P33 HydrophobicContact CG-CG 3.75Å; P33-D35 PolarHBondContact O-N 3.1Å; P33-A36 VanDerWaalsContact O-CB 3.27Å; P33-A36 WeakPolarHBondContact O-CB 3.49Å; P33-A36 PolarHBondContact O-N 3.46Å; P33-A36 VanDerWaalsContact O-N 3.17Å
34E79.6Confident83.5Confident139 Ų13956 Ų5665%0.6532%0.319SS*.THydrogen-bonded Turntrans-70.5-20.8-176.1-59.370.9-149.700112.3S32 W37S32-E34 VanDerWaalsContact C-N 3.25Å; S32-E34 WeakPolarHBondContact CB-OE2 3.4Å; S32-E34 PolarHBondContact O-N 3.02Å; S32-E34 PolarHBondContact OG-N 2.97Å; S32-E34 PolarHBondContact OG-OE2 3.14Å; E34-W37 PolarHBondContact O-NE1 2.76Å
35D77.1Confident83.9Confident35 Ų3557.5 Ų57.519%0.18731%0.306CS..THydrogen-bonded Turntrans-87.10.7174.9-71.6-52.9000114D31 S32 P33 W37 K38D31-D35 HydrophobicContact CB-CB 4.27Å; S32-D35 WeakPolarHBondContact CB-OD2 3.45Å; S32-D35 PolarHBondContact O-N 3.25Å; S32-D35 VanDerWaalsContact OG-CB 3.3Å; S32-D35 WeakPolarHBondContact OG-CB 3.23Å; S32-D35 PolarHBondContact OG-N 2.9Å; S32-D35 PolarHBondContact OG-OD2 3Å; P33-D35 PolarHBondContact O-N 3.1Å; D35-W37 PolarHBondContact O-N 2.91Å; D35-K38 HydrophobicContact CB-CD 4.18Å; D35-K38 VanDerWaalsContact O-CB 3.3Å; D35-K38 WeakPolarHBondContact O-CB 3.37Å; D35-K38 PolarHBondContact O-N 2.96Å; D35-K38 WeakPolarHBondContact OD1-CD 3.36Å; D35-K38 WeakPolarHBondContact OD1-CE 3.27Å; D35-K38 IonicContact OD1-NZ 2.74Å; D35-K38 PolarHBondContact OD1-NZ 3.38Å
36A72.8Confident84.1Confident39 Ų3957 Ų5732%0.32230%0.301SS..G310 helixtrans-57.2-29.3-173.400000114.2Y30 P33 K38 G39Y30-A36 HydrophobicContact CD1-CB 4.21Å; Y30-A36 HydrophobicContact CE1-CB 4.27Å; P33-A36 VanDerWaalsContact O-CB 3.27Å; P33-A36 WeakPolarHBondContact O-CB 3.49Å; P33-A36 PolarHBondContact O-N 3.46Å; P33-A36 VanDerWaalsContact O-N 3.17Å; A36-K38 PolarHBondContact O-N 3.23Å; A36-G39 PolarHBondContact O-N 3.14Å
37W67Low83.7Confident205 Ų20556.6 Ų56.678%0.77731%0.306SS*.G310 helixtrans-67.8-16.7174.761-90.3000114.2E34 D35 G39E34-W37 PolarHBondContact O-NE1 2.76Å; D35-W37 PolarHBondContact O-N 2.91Å; W37-G39 PolarHBondContact O-N 2.94Å
38K72.8Confident83.2Confident113 Ų11360.4 Ų60.449%0.49133%0.329SS..G310 helixtrans-79.82.5174.7-58.3178.3-178.8168.20113D35 A36D35-K38 HydrophobicContact CB-CD 4.18Å; D35-K38 VanDerWaalsContact O-CB 3.3Å; D35-K38 WeakPolarHBondContact O-CB 3.37Å; D35-K38 PolarHBondContact O-N 2.96Å; D35-K38 WeakPolarHBondContact OD1-CD 3.36Å; D35-K38 WeakPolarHBondContact OD1-CE 3.27Å; D35-K38 IonicContact OD1-NZ 2.74Å; D35-K38 PolarHBondContact OD1-NZ 3.38Å; A36-K38 PolarHBondContact O-N 3.23Å
39G68.4Low82.7Confident37 Ų3759.4 Ų59.438%0.38132%0.322SS..  trans84.4159.9-176.500000113.4A36 W37A36-G39 PolarHBondContact O-N 3.14Å; W37-G39 PolarHBondContact O-N 2.94Å
40C83.3Confident82.5Confident62 Ų6263 Ų6342%0.41934%0.34SS..  trans-73.4145.2179.966.30000111.8Y30 G42Y30-C40 HydrophobicContact CD1-CB 4.17Å; Y30-C40 VanDerWaalsContact CE1-CA 3.45Å; Y30-C40 HydrophobicContact CE1-CB 3.6Å; C40-G42 PolarHBondContact O-N 3.5Å
41K85.5Confident82.6Confident97 Ų9763.4 Ų63.442%0.42234%0.344SS..SBendtrans-81.6-4.5173.6-58.1-52.8-166.3-171.50113.2Y29 D31Y29-K41 HydrophobicContact CD2-CB 3.99Å; Y29-K41 HydrophobicContact CE1-CB 4.15Å; Y29-K41 HydrophobicContact CE2-CB 3.49Å; Y29-K41 VanDerWaalsContact CE2-CB 3.49Å; Y29-K41 HydrophobicContact CE2-CG 4.34Å; Y29-K41 PolarHBondContact O-N 3.01Å; Y29-K41 PolarHBondContact OH-O 3.39Å; Y29-K41 VanDerWaalsContact OH-O 3.13Å; D31-K41 WeakPolarHBondContact OD1-CE 3.39Å; D31-K41 WeakPolarHBondContact OD1-CG 3.22Å; D31-K41 IonicContact OD1-NZ 3.74Å; D31-K41 WeakPolarHBondContact OD2-CE 3.37Å; D31-K41 IonicContact OD2-NZ 3.06Å; D31-K41 PolarHBondContact OD2-NZ 3.23Å
42G84.9Confident82.9Confident19 Ų1966 Ų6620%0.19635%0.354CS..EExtended strand (participates in β ladder)trans158163.6175.600000111.2S28 Y29 C40S28-G42 WeakPolarHBondContact CA-O 3.41Å; Y29-G42 WeakPolarHBondContact CD1-O 3.46Å; Y29-G42 PolarHBondContact N-O 3.38Å; C40-G42 PolarHBondContact O-N 3.5Å
43S90Very high83.2Confident67 Ų6768.7 Ų68.747%0.46937%0.37SS..EExtended strand (participates in β ladder)trans-150.1139.3-176.456.10000111.3L27 S28L27-S43 CarbonylContact O-C 3.49Å; L27-S43 VanDerWaalsContact O-CA 3.3Å; L27-S43 WeakPolarHBondContact O-CA 3.33Å; S28-S43 WeakPolarHBondContact OG-CB 3.34Å
44I89.6Confident83.7Confident1 Ų168.6 Ų68.61%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-114.8132.1177.7-59.5-164.6000109I26 L27 C49 L63 I65 F71I26-I44 CarbonylContact C-O 3.58Å; I26-I44 WeakPolarHBondContact CA-O 3.46Å; L27-I44 PolarHBondContact N-O 3.33Å; L27-I44 PolarHBondContact O-N 2.7Å; I44-C49 HydrophobicContact CG2-CB 3.63Å; I44-L63 HydrophobicContact CD1-CB 4.37Å; I44-I65 HydrophobicContact CB-CD1 4.36Å; I44-I65 HydrophobicContact CD1-CD1 4.01Å; I44-I65 HydrophobicContact CD1-CG1 4.25Å; I44-I65 HydrophobicContact CG1-CD1 3.94Å; I44-I65 HydrophobicContact CG2-CD1 3.96Å; I44-I65 HydrophobicContact CG2-CG1 4.01Å; I44-F71 HydrophobicContact CD1-CB 4.09Å; I44-F71 HydrophobicContact CD1-CD1 3.91Å; I44-F71 HydrophobicContact CD1-CD2 3.52Å; I44-F71 HydrophobicContact CD1-CE1 4.12Å; I44-F71 HydrophobicContact CD1-CE2 3.74Å; I44-F71 HydrophobicContact CD1-CG 3.59Å; I44-F71 HydrophobicContact CD1-CZ 4.02Å; I44-F71 HydrophobicContact CG1-CD2 4.2Å; I44-F71 HydrophobicContact CG1-CE2 3.92Å; I44-F71 HydrophobicContact CG1-CZ 4.09Å
45Q88.7Confident84Confident107 Ų10767 Ų6750%0.537%0.368SS..EExtended strand (participates in β ladder)trans-85.8122.9169.9-169.2171.518.500110I26 A47 V48I26-Q45 HydrophobicContact CG1-CG 4.48Å; Q45-A47 PolarHBondContact O-N 2.86Å; Q45-A47 VanDerWaalsContact O-N 3.1Å; Q45-V48 HydrophobicContact CB-CG2 4.36Å; Q45-V48 VanDerWaalsContact O-CG2 3.32Å; Q45-V48 WeakPolarHBondContact O-CG2 3.42Å; Q45-V48 PolarHBondContact O-N 2.88Å; Q45-V48 VanDerWaalsContact O-N 3.1Å
46M89.4Confident84.6Confident0 Ų071 Ų710%039%0.394CS..THydrogen-bonded Turntrans-64.3-21.6-170-66-52.5-53.900114.2L22 G25 L27 V48 C49 I51 L88 A91 K92 L95L22-M46 HydrophobicContact CD1-CG 3.66Å; L22-M46 HydrophobicContact CD1-SD 4.13Å; G25-M46 WeakPolarHBondContact O-CB 3.45Å; G25-M46 WeakPolarHBondContact O-CG 3.23Å; G25-M46 PolarHBondContact O-N 3.4Å; L27-M46 HydrophobicContact CB-SD 3.87Å; M46-V48 VanDerWaalsContact C-N 3.3Å; M46-V48 PolarHBondContact O-N 3.3Å; M46-C49 WeakPolarHBondContact CE-SG 3.42Å; M46-I51 HydrophobicContact CE-CD1 4.12Å; M46-I51 HydrophobicContact CE-CG1 4.46Å; M46-L88 HydrophobicContact CE-CB 3.74Å; M46-L88 HydrophobicContact CE-CD2 3.51Å; M46-L88 HydrophobicContact CE-CG 4.22Å; M46-L88 HydrophobicContact SD-CD2 3.61Å; M46-A91 HydrophobicContact CB-CB 4.44Å; M46-A91 HydrophobicContact CG-CB 4.14Å; M46-K92 HydrophobicContact CB-CB 4.45Å; M46-K92 WeakPolarHBondContact O-CD 3.34Å; M46-K92 VanDerWaalsContact O-CG 3.31Å; M46-K92 WeakPolarHBondContact O-CG 3.27Å; M46-L95 HydrophobicContact CB-CD1 4.06Å
47A82.6Confident85.5Confident45 Ų4571.3 Ų71.337%0.37239%0.39SS..THydrogen-bonded Turntrans-64.2-33176.100000112.9Q45 L95Q45-A47 PolarHBondContact O-N 2.86Å; Q45-A47 VanDerWaalsContact O-N 3.1Å; A47-L95 HydrophobicContact CB-CB 4.19Å; A47-L95 HydrophobicContact CB-CD1 3.86Å
48V81.3Confident86.8Confident79 Ų7965.8 Ų65.848%0.47938%0.376SS..THydrogen-bonded Turntrans-103-9.9-171.8-57.20000114.3Q45 M46 I65 P66Q45-V48 HydrophobicContact CB-CG2 4.36Å; Q45-V48 VanDerWaalsContact O-CG2 3.32Å; Q45-V48 WeakPolarHBondContact O-CG2 3.42Å; Q45-V48 PolarHBondContact O-N 2.88Å; Q45-V48 VanDerWaalsContact O-N 3.1Å; M46-V48 VanDerWaalsContact C-N 3.3Å; M46-V48 PolarHBondContact O-N 3.3Å; V48-I65 HydrophobicContact CG2-CG2 4.37Å; V48-P66 WeakPolarHBondContact O-CD 3.34Å
49C84.5Confident87.8Confident0 Ų061.6 Ų61.60%036%0.36CS..  trans-93.5141.8176.568.60000112.9I44 M46 I64 I65 K92I44-C49 HydrophobicContact CG2-CB 3.63Å; M46-C49 WeakPolarHBondContact CE-SG 3.42Å; C49-I64 CarbonylContact C-O 3.58Å; C49-I64 VanDerWaalsContact CA-O 3.27Å; C49-I64 WeakPolarHBondContact CA-O 3.08Å; C49-I65 HydrophobicContact CB-CG1 4.13Å; C49-K92 WeakPolarHBondContact O-CE 2.95Å; C49-K92 PolarHBondContact O-NZ 3.4Å
50E89.3Confident89.1Confident110 Ų11062.6 Ų62.651%0.51435%0.352SS..EExtended strand (participates in β ladder)trans-88.6144165.4-64.6177.8178.600110L63 I64E50-L63 WeakPolarHBondContact O-CA 3.41Å; E50-I64 HydrophobicContact CB-CB 4.41Å; E50-I64 PolarHBondContact N-O 2.76Å; E50-I64 PolarHBondContact O-N 2.98Å
51I93.1Very high89.7Confident45 Ų4559.6 Ų59.623%0.23133%0.332CS..EExtended strand (participates in β ladder)trans-109.299.1-177.2-53.4172.4000107.2M46 L63 L85 L88M46-I51 HydrophobicContact CE-CD1 4.12Å; M46-I51 HydrophobicContact CE-CG1 4.46Å; I51-L63 HydrophobicContact CB-CD2 4.14Å; I51-L63 HydrophobicContact CG1-CD2 3.78Å; I51-L63 HydrophobicContact CG2-CD2 4Å; I51-L85 HydrophobicContact CG2-CD2 3.59Å; I51-L88 HydrophobicContact CD1-CB 3.83Å
52Q92.8Very high90Very high106 Ų10655.3 Ų55.350%0.49531%0.314SS..EExtended strand (participates in β ladder)trans-90.7117.3178.8-165178.126.500110.6M61 D62 I64Q52-M61 WeakPolarHBondContact O-CA 3.33Å; Q52-D62 HydrophobicContact CB-CB 4.45Å; Q52-D62 PolarHBondContact N-O 3.38Å; Q52-D62 PolarHBondContact O-N 2.77Å; Q52-I64 HydrophobicContact CB-CD1 4.23Å
53V92.8Very high90.4Very high82 Ų8254.4 Ų54.450%0.49730%0.304SS..EExtended strand (participates in β ladder)trans-83.2117.5174-177.30000108.7S55 L85V53-S55 PolarHBondContact O-N 3.4Å; V53-L85 HydrophobicContact CG1-CD1 4.41Å; V53-L85 HydrophobicContact CG2-CD1 4.02Å; V53-L85 HydrophobicContact CG2-CD2 3.98Å
54H91.5Very high90.4Very high53 Ų5352.2 Ų52.225%0.24529%0.287CS..PPolyproline II helixtrans-68.4128.4179.6-164.9-65.6000110.9V56 D57 R60 R81H54-V56 PolarHBondContact ND1-N 2.92Å; H54-D57 PolarHBondContact ND1-N 3.34Å; H54-D57 VanDerWaalsContact ND1-N 3.14Å; H54-R60 HydrophobicContact CB-CB 3.99Å; H54-R60 HydrophobicContact CB-CG 4.04Å; H54-R81 PolarHBondContact O-NH2 3.21Å
55S87.6Confident90.2Very high105 Ų10553 Ų5373%0.73429%0.291SS*.SBendtrans-70.1-42.8-172.752.90000113.9V53V53-S55 PolarHBondContact O-N 3.4Å
56V88.5Confident89.5Confident120 Ų12049.7 Ų49.773%0.72728%0.279SS*.SBendtrans-87.9-56.9-177.3-173.50000112.6H54 N58H54-V56 PolarHBondContact ND1-N 2.92Å; V56-N58 PolarHBondContact O-N 2.91Å; V56-N58 VanDerWaalsContact O-N 3.07Å
57D92.6Very high88Confident44 Ų4451.7 Ų51.724%0.23530%0.299CS..  trans-75.597.3177.8-175.9-10000111.7H54 T59 R60 K74 R81H54-D57 PolarHBondContact ND1-N 3.34Å; H54-D57 VanDerWaalsContact ND1-N 3.14Å; D57-T59 PolarHBondContact O-N 3.37Å; D57-T59 WeakPolarHBondContact OD1-CA 3.44Å; D57-T59 WeakPolarHBondContact OD1-CB 3.29Å; D57-T59 PolarHBondContact OD1-N 3.07Å; D57-T59 PolarHBondContact OD1-OG1 2.96Å; D57-R60 HydrophobicContact CB-CB 3.87Å; D57-R60 PolarHBondContact O-N 2.83Å; D57-R60 PolarHBondContact OD1-N 3.34Å; D57-K74 IonicContact OD1-NZ 2.63Å; D57-K74 PolarHBondContact OD1-NZ 3.41Å; D57-K74 IonicContact OD2-NZ 3.94Å; D57-K74 PolarHBondContact OD2-NZ 2.97Å; D57-R81 PolarHBondContact O-NH2 2.94Å
58N92.9Very high87.2Confident89 Ų8954.3 Ų54.348%0.47630%0.304SS..THydrogen-bonded Turntrans-68.96177.8-81.2-55.2000115.6V56 V78 R81V56-N58 PolarHBondContact O-N 2.91Å; V56-N58 VanDerWaalsContact O-N 3.07Å; N58-V78 HydrophobicContact CB-CG1 4.46Å; N58-V78 HydrophobicContact CB-CG2 4.11Å; N58-V78 WeakPolarHBondContact O-CG2 3.32Å; N58-R81 WeakPolarHBondContact O-CD 3.36Å; N58-R81 PolarHBondContact O-NH1 3.27Å; N58-R81 PolarHBondContact OD1-NH1 2.99Å; N58-R81 VanDerWaalsContact OD1-NH1 3.16Å
59T95Very high87Confident26 Ų2655.6 Ų55.616%0.1631%0.305CS..THydrogen-bonded Turntrans-109.5-10.3168.561.90000113.6D57 K74 A75 V78D57-T59 PolarHBondContact O-N 3.37Å; D57-T59 WeakPolarHBondContact OD1-CA 3.44Å; D57-T59 WeakPolarHBondContact OD1-CB 3.29Å; D57-T59 PolarHBondContact OD1-N 3.07Å; D57-T59 PolarHBondContact OD1-OG1 2.96Å; T59-K74 WeakPolarHBondContact O-CA 3.45Å; T59-K74 WeakPolarHBondContact OG1-CE 3.49Å; T59-K74 WeakPolarHBondContact OG1-CG 3.35Å; T59-K74 PolarHBondContact OG1-NZ 3.44Å; T59-A75 PolarHBondContact O-N 3Å; T59-V78 HydrophobicContact CG2-CG2 4.33Å
60R94.9Very high87.1Confident57 Ų5761.3 Ų61.322%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-99.4142.7-175.5179.8172.9166.8-170.7-7.4113.2W15 H54 D57 D62 L73 R81W15-R60 HydrophobicContact CH2-CG 4.47Å; H54-R60 HydrophobicContact CB-CB 3.99Å; H54-R60 HydrophobicContact CB-CG 4.04Å; D57-R60 HydrophobicContact CB-CB 3.87Å; D57-R60 PolarHBondContact O-N 2.83Å; D57-R60 PolarHBondContact OD1-N 3.34Å; R60-D62 WeakPolarHBondContact CG-OD1 3.47Å; R60-D62 IonicContact CZ-OD1 2.85Å; R60-D62 IonicContact CZ-OD2 3.25Å; R60-D62 VanDerWaalsContact CZ-OD2 3.25Å; R60-D62 IonicContact NE-OD1 2.65Å; R60-D62 PolarHBondContact NE-OD1 3.41Å; R60-D62 IonicContact NE-OD2 3.06Å; R60-D62 PolarHBondContact NE-OD2 3.36Å; R60-D62 IonicContact NH2-OD1 3.38Å; R60-D62 IonicContact NH2-OD2 2.69Å; R60-D62 PolarHBondContact NH2-OD2 3.15Å; R60-L73 CarbonylContact C-O 3.6Å; R60-L73 WeakPolarHBondContact CA-O 3.34Å; R60-L73 WeakPolarHBondContact CG-O 3.33Å; R60-R81 VanDerWaalsContact O-CZ 3.26Å; R60-R81 PolarHBondContact O-NE 3.33Å; R60-R81 PolarHBondContact O-NH2 2.96Å
61M95.3Very high87.2Confident0 Ų056.3 Ų56.30%030%0.304CS..EExtended strand (participates in β ladder)trans-145.1134.5171.965.2-164.5-177.400107.6L5 Q52 L73 R81 W84 L85 L88L5-M61 HydrophobicContact CD1-CE 3.46Å; L5-M61 VanDerWaalsContact CD1-CE 3.46Å; L5-M61 HydrophobicContact CD2-CE 3.94Å; L5-M61 HydrophobicContact CG-CE 4.37Å; Q52-M61 WeakPolarHBondContact O-CA 3.33Å; M61-L73 HydrophobicContact CE-CB 4.18Å; M61-L73 HydrophobicContact CE-CD1 4.24Å; M61-L73 HydrophobicContact CG-CB 4.25Å; M61-L73 PolarHBondContact N-O 3.19Å; M61-L73 CarbonylContact O-C 3.49Å; M61-L73 WeakPolarHBondContact O-CA 3.48Å; M61-L73 VanDerWaalsContact O-CB 3.3Å; M61-L73 WeakPolarHBondContact O-CB 3.27Å; M61-L73 PolarHBondContact O-N 3.43Å; M61-R81 HydrophobicContact SD-CG 4.28Å; M61-W84 HydrophobicContact CE-CB 3.64Å; M61-W84 HydrophobicContact CE-CG 4.02Å; M61-W84 HydrophobicContact SD-CB 3.92Å; M61-L85 HydrophobicContact CB-CD2 3.9Å; M61-L85 HydrophobicContact CG-CD2 4.47Å; M61-L85 HydrophobicContact SD-CD2 3.98Å; M61-L85 HydrophobicContact SD-CG 4.07Å; M61-L88 HydrophobicContact CE-CD1 4.09Å; M61-L88 HydrophobicContact SD-CD1 4.28Å
62D93.4Very high87.3Confident7 Ų758 Ų584%0.03731%0.308CS..EExtended strand (participates in β ladder)trans-113.6127.7-175.6-60-25.7000109Q52 R60 F71 Y72Q52-D62 HydrophobicContact CB-CB 4.45Å; Q52-D62 PolarHBondContact N-O 3.38Å; Q52-D62 PolarHBondContact O-N 2.77Å; R60-D62 WeakPolarHBondContact CG-OD1 3.47Å; R60-D62 IonicContact CZ-OD1 2.85Å; R60-D62 IonicContact CZ-OD2 3.25Å; R60-D62 VanDerWaalsContact CZ-OD2 3.25Å; R60-D62 IonicContact NE-OD1 2.65Å; R60-D62 PolarHBondContact NE-OD1 3.41Å; R60-D62 IonicContact NE-OD2 3.06Å; R60-D62 PolarHBondContact NE-OD2 3.36Å; R60-D62 IonicContact NH2-OD1 3.38Å; R60-D62 IonicContact NH2-OD2 2.69Å; R60-D62 PolarHBondContact NH2-OD2 3.15Å; D62-F71 WeakPolarHBondContact CA-O 3.2Å; D62-Y72 HydrophobicContact CB-CD1 4.16Å; D62-Y72 VanDerWaalsContact OD1-CA 3.31Å; D62-Y72 WeakPolarHBondContact OD1-CA 3.47Å
63L93Very high87.4Confident0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-96.3118.7174-59.9-178.7000108.7L27 I44 E50 I51 F71 L73 L88L27-L63 HydrophobicContact CD2-CD1 3.31Å; I44-L63 HydrophobicContact CD1-CB 4.37Å; E50-L63 WeakPolarHBondContact O-CA 3.41Å; I51-L63 HydrophobicContact CB-CD2 4.14Å; I51-L63 HydrophobicContact CG1-CD2 3.78Å; I51-L63 HydrophobicContact CG2-CD2 4Å; L63-F71 HydrophobicContact CB-CB 4.13Å; L63-F71 PolarHBondContact N-O 2.95Å; L63-F71 PolarHBondContact O-N 3.31Å; L63-L73 HydrophobicContact CD1-CD1 3.77Å; L63-L73 HydrophobicContact CG-CD1 4.03Å; L63-L88 HydrophobicContact CD1-CD2 4.5Å; L63-L88 HydrophobicContact CD2-CD1 4.44Å
64I89.1Confident87.6Confident21 Ų2152 Ų5211%0.10827%0.273CS..EExtended strand (participates in β ladder)trans-106.6115.7-179.1-57.1177.6000107C49 E50 Q52 P66 Y70C49-I64 CarbonylContact C-O 3.58Å; C49-I64 VanDerWaalsContact CA-O 3.27Å; C49-I64 WeakPolarHBondContact CA-O 3.08Å; E50-I64 HydrophobicContact CB-CB 4.41Å; E50-I64 PolarHBondContact N-O 2.76Å; E50-I64 PolarHBondContact O-N 2.98Å; Q52-I64 HydrophobicContact CB-CD1 4.23Å; I64-P66 WeakPolarHBondContact O-CD 3.34Å; I64-Y70 HydrophobicContact CB-CD1 4.46Å; I64-Y70 HydrophobicContact CB-CE1 4.31Å; I64-Y70 HydrophobicContact CD1-CD1 4.33Å; I64-Y70 HydrophobicContact CD1-CE1 3.88Å; I64-Y70 HydrophobicContact CG1-CD1 3.81Å; I64-Y70 HydrophobicContact CG1-CE1 3.76Å; I64-Y70 HydrophobicContact CG2-CD1 4.26Å; I64-Y70 HydrophobicContact CG2-CE1 3.74Å
65I85.3Confident87.9Confident16 Ų1649.6 Ų49.68%0.08226%0.263CS..EExtended strand (participates in β ladder)trans-89113.9157.7-54.2171.6000105.2I44 V48 C49 G67 E68 Q69I44-I65 HydrophobicContact CB-CD1 4.36Å; I44-I65 HydrophobicContact CD1-CD1 4.01Å; I44-I65 HydrophobicContact CD1-CG1 4.25Å; I44-I65 HydrophobicContact CG1-CD1 3.94Å; I44-I65 HydrophobicContact CG2-CD1 3.96Å; I44-I65 HydrophobicContact CG2-CG1 4.01Å; V48-I65 HydrophobicContact CG2-CG2 4.37Å; C49-I65 HydrophobicContact CB-CG1 4.13Å; I65-G67 PolarHBondContact O-N 3.32Å; I65-E68 HydrophobicContact CB-CB 4.17Å; I65-E68 HydrophobicContact CG2-CB 3.82Å; I65-E68 HydrophobicContact CG2-CG 4.09Å; I65-E68 PolarHBondContact O-N 3.03Å; I65-E68 VanDerWaalsContact O-N 3.12Å; I65-Q69 PolarHBondContact N-O 2.9Å; I65-Q69 PolarHBondContact O-N 3.38Å
66P73.8Confident88.2Confident38 Ų3854 Ų5425%0.24726%0.263CS..THydrogen-bonded Turntrans-46.9118.7-177.8-32.138.1000111.6V48 I64 E68 W447V48-P66 WeakPolarHBondContact O-CD 3.34Å; I64-P66 WeakPolarHBondContact O-CD 3.34Å; P66-E68 PolarHBondContact O-N 3.39Å; P66-W447 HydrophobicContact CB-CE3 4.41Å; P66-W447 HydrophobicContact CB-CH2 3.71Å; P66-W447 HydrophobicContact CB-CZ2 4.43Å; P66-W447 HydrophobicContact CB-CZ3 3.7Å; P66-W447 VanDerWaalsContact O-CD2 3.27Å; P66-W447 WeakPolarHBondContact O-CZ3 3.43Å
67G58.7Low88.5Confident42 Ų4250.4 Ų50.443%0.43324%0.243SC..THydrogen-bonded Turntrans62.9-0.7177.300000118.9I65 W447I65-G67 PolarHBondContact O-N 3.32Å; G67-W447 WeakPolarHBondContact O-CB 3.41Å
68E67Low88.7Confident100 Ų10052 Ų5247%0.46725%0.254SS..THydrogen-bonded Turntrans-99-65.6175.1-62.6-159.9147.400112.6I65 P66 W447I65-E68 HydrophobicContact CB-CB 4.17Å; I65-E68 HydrophobicContact CG2-CB 3.82Å; I65-E68 HydrophobicContact CG2-CG 4.09Å; I65-E68 PolarHBondContact O-N 3.03Å; I65-E68 VanDerWaalsContact O-N 3.12Å; P66-E68 PolarHBondContact O-N 3.39Å; E68-W447 HydrophobicContact CG-CB 3.77Å
69Q75.3Confident88.8Confident106 Ų10650.6 Ų50.650%0.49526%0.255SS..EExtended strand (participates in β ladder)trans-148.2143.5-173.4-66.2-169.1-14.500112.3I65 F71I65-Q69 PolarHBondContact N-O 2.9Å; I65-Q69 PolarHBondContact O-N 3.38Å; Q69-F71 HydrophobicContact CB-CD1 4.47Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å
70Y87.1Confident88.9Confident120 Ų12050.8 Ų50.847%0.47125%0.254SS..EExtended strand (participates in β ladder)trans-106.1118.9170.6-71.4-100.7000109.3I64 Y72I64-Y70 HydrophobicContact CB-CD1 4.46Å; I64-Y70 HydrophobicContact CB-CE1 4.31Å; I64-Y70 HydrophobicContact CD1-CD1 4.33Å; I64-Y70 HydrophobicContact CD1-CE1 3.88Å; I64-Y70 HydrophobicContact CG1-CD1 3.81Å; I64-Y70 HydrophobicContact CG1-CE1 3.76Å; I64-Y70 HydrophobicContact CG2-CD1 4.26Å; I64-Y70 HydrophobicContact CG2-CE1 3.74Å; Y70-Y72 HydrophobicContact CD1-CE1 4.09Å; Y70-Y72 HydrophobicContact CG-CE1 4.41Å
71F92Very high88.9Confident5 Ų548.5 Ų48.52%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-103.391.6170.3-85.836.1000107.9K7 F20 Y29 I44 D62 L63 Q69 L73K7-F71 HydrophobicContact CD-CD2 4.36Å; K7-F71 HydrophobicContact CD-CE2 4.48Å; F20-F71 HydrophobicContact CE1-CD2 4.2Å; F20-F71 HydrophobicContact CE1-CE2 4.37Å; Y29-F71 AromaticContact CD1-CE2 3.68Å; Y29-F71 HydrophobicContact CD1-CE2 3.68Å; Y29-F71 HydrophobicContact CD1-CZ 4.06Å; Y29-F71 AromaticContact CE1-CE2 3.67Å; Y29-F71 HydrophobicContact CE1-CE2 3.67Å; Y29-F71 AromaticContact CE1-CZ 3.59Å; Y29-F71 HydrophobicContact CE1-CZ 3.59Å; I44-F71 HydrophobicContact CD1-CB 4.09Å; I44-F71 HydrophobicContact CD1-CD1 3.91Å; I44-F71 HydrophobicContact CD1-CD2 3.52Å; I44-F71 HydrophobicContact CD1-CE1 4.12Å; I44-F71 HydrophobicContact CD1-CE2 3.74Å; I44-F71 HydrophobicContact CD1-CG 3.59Å; I44-F71 HydrophobicContact CD1-CZ 4.02Å; I44-F71 HydrophobicContact CG1-CD2 4.2Å; I44-F71 HydrophobicContact CG1-CE2 3.92Å; I44-F71 HydrophobicContact CG1-CZ 4.09Å; D62-F71 WeakPolarHBondContact CA-O 3.2Å; L63-F71 HydrophobicContact CB-CB 4.13Å; L63-F71 PolarHBondContact N-O 2.95Å; L63-F71 PolarHBondContact O-N 3.31Å; Q69-F71 HydrophobicContact CB-CD1 4.47Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; F71-L73 HydrophobicContact CB-CD2 4.29Å; F71-L73 HydrophobicContact CB-CG 4.26Å; F71-L73 PolarHBondContact O-N 2.93Å
72Y94.4Very high88.9Confident80 Ų8053.6 Ų53.631%0.31427%0.269SS..EExtended strand (participates in β ladder)trans-71117167.5-45.8-70.5000108.4W8 W15 D62 Y70W8-Y72 HydrophobicContact CB-CD2 4.06Å; W8-Y72 HydrophobicContact CB-CG 4.46Å; W8-Y72 HydrophobicContact CG-CD2 4.32Å; W8-Y72 PolarHBondContact N-O 3.38Å; W15-Y72 VanDerWaalsContact CZ3-O 3.3Å; W15-Y72 WeakPolarHBondContact CZ3-O 3.17Å; D62-Y72 HydrophobicContact CB-CD1 4.16Å; D62-Y72 VanDerWaalsContact OD1-CA 3.31Å; D62-Y72 WeakPolarHBondContact OD1-CA 3.47Å; Y70-Y72 HydrophobicContact CD1-CE1 4.09Å; Y70-Y72 HydrophobicContact CG-CE1 4.41Å
73L96.3Very high89.1Confident0 Ų059.8 Ų59.80%029%0.292CS..EExtended strand (participates in β ladder)trans-124.3142.8-174.7-54.8176.2000111.5L5 Y6 K7 F20 R60 M61 L63 F71L5-L73 HydrophobicContact CD1-CB 4.45Å; L5-L73 HydrophobicContact CD1-CD1 4.04Å; Y6-L73 CarbonylContact O-C 3.53Å; Y6-L73 WeakPolarHBondContact O-CA 3.47Å; K7-L73 HydrophobicContact CB-CD2 3.89Å; K7-L73 HydrophobicContact CG-CD2 3.82Å; F20-L73 HydrophobicContact CE1-CD1 4.29Å; F20-L73 HydrophobicContact CE1-CD2 4.04Å; F20-L73 HydrophobicContact CE2-CD2 4.01Å; F20-L73 HydrophobicContact CZ-CD1 4.38Å; F20-L73 HydrophobicContact CZ-CD2 3.39Å; R60-L73 CarbonylContact C-O 3.6Å; R60-L73 WeakPolarHBondContact CA-O 3.34Å; R60-L73 WeakPolarHBondContact CG-O 3.33Å; M61-L73 HydrophobicContact CE-CB 4.18Å; M61-L73 HydrophobicContact CE-CD1 4.24Å; M61-L73 HydrophobicContact CG-CB 4.25Å; M61-L73 PolarHBondContact N-O 3.19Å; M61-L73 CarbonylContact O-C 3.49Å; M61-L73 WeakPolarHBondContact O-CA 3.48Å; M61-L73 VanDerWaalsContact O-CB 3.3Å; M61-L73 WeakPolarHBondContact O-CB 3.27Å; M61-L73 PolarHBondContact O-N 3.43Å; L63-L73 HydrophobicContact CD1-CD1 3.77Å; L63-L73 HydrophobicContact CG-CD1 4.03Å; F71-L73 HydrophobicContact CB-CD2 4.29Å; F71-L73 HydrophobicContact CB-CG 4.26Å; F71-L73 PolarHBondContact O-N 2.93Å
74K96.3Very high89.2Confident63 Ų6359.9 Ų59.927%0.27429%0.293SS..EExtended strand (participates in β ladder)trans-135.9127.5178.1-174.8179.2176106.90110Y6 W15 D57 T59Y6-K74 PolarHBondContact N-O 3.06Å; Y6-K74 PolarHBondContact O-N 3.02Å; W15-K74 HydrophobicContact CE3-CB 4.05Å; W15-K74 HydrophobicContact CH2-CB 4.17Å; W15-K74 HydrophobicContact CZ3-CB 3.75Å; D57-K74 IonicContact OD1-NZ 2.63Å; D57-K74 PolarHBondContact OD1-NZ 3.41Å; D57-K74 IonicContact OD2-NZ 3.94Å; D57-K74 PolarHBondContact OD2-NZ 2.97Å; T59-K74 WeakPolarHBondContact O-CA 3.45Å; T59-K74 WeakPolarHBondContact OG1-CE 3.49Å; T59-K74 WeakPolarHBondContact OG1-CG 3.35Å; T59-K74 PolarHBondContact OG1-NZ 3.44Å
75A96.8Very high89.5Confident2 Ų260 Ų602%0.01729%0.293CS..  trans-86.5165.3176.300000111.2L5 T59 S77 E80 R81L5-A75 HydrophobicContact CD2-CB 3.75Å; T59-A75 PolarHBondContact O-N 3Å; A75-S77 PolarHBondContact O-N 3.21Å; A75-E80 HydrophobicContact CB-CB 4.02Å; A75-E80 HydrophobicContact CB-CG 4.01Å; A75-R81 HydrophobicContact CB-CB 3.92Å
76R94.5Very high90Very high199 Ų19963 Ų6375%0.75131%0.312SS*.SBendtrans-69.5-19.6177.288.2-176.2-73.6-179.3-2113.4E80R76-E80 WeakPolarHBondContact CB-OE2 3.29Å; R76-E80 VanDerWaalsContact CG-OE2 3.24Å; R76-E80 WeakPolarHBondContact CG-OE2 3.4Å; R76-E80 PolarHBondContact N-OE2 3.02Å
77S95.6Very high90.9Very high43 Ų4362.4 Ų62.430%0.30131%0.31SS..SBendtrans-157.5162.6-177.771.70000112.2A75 A79 E80 R81A75-S77 PolarHBondContact O-N 3.21Å; S77-A79 VanDerWaalsContact C-N 3.27Å; S77-A79 PolarHBondContact O-N 2.65Å; S77-E80 PolarHBondContact O-N 3.2Å; S77-E80 VanDerWaalsContact O-N 3.16Å; S77-E80 PolarHBondContact OG-N 3.49Å; S77-R81 PolarHBondContact O-N 2.92Å
78V96.3Very high92.6Very high78 Ų7860.4 Ų60.447%0.47329%0.29SS..Hα-helixtrans-58.4-40.1175.9-170.70000111.4N58 T59 E80 R81 Q82N58-V78 HydrophobicContact CB-CG1 4.46Å; N58-V78 HydrophobicContact CB-CG2 4.11Å; N58-V78 WeakPolarHBondContact O-CG2 3.32Å; T59-V78 HydrophobicContact CG2-CG2 4.33Å; V78-E80 PolarHBondContact O-N 3.45Å; V78-R81 PolarHBondContact O-N 3.05Å; V78-Q82 WeakPolarHBondContact O-CB 3.45Å; V78-Q82 PolarHBondContact O-N 3.38Å
79A95.4Very high93.7Very high60 Ų6057 Ų5750%0.49628%0.282SS..Hα-helixtrans-65.7-36.3177.600000112.6S77 Q82 R83S77-A79 VanDerWaalsContact C-N 3.27Å; S77-A79 PolarHBondContact O-N 2.65Å; A79-Q82 PolarHBondContact O-N 2.86Å; A79-R83 WeakPolarHBondContact O-CG 3.44Å; A79-R83 PolarHBondContact O-N 3Å; A79-R83 VanDerWaalsContact O-N 3.09Å
80E95.7Very high94.4Very high29 Ų2955.1 Ų55.114%0.13628%0.28CS..Hα-helixtrans-73.4-41.5176.9-174.6169.6-87.800112.4A75 R76 S77 V78 Q82 R83 W84A75-E80 HydrophobicContact CB-CB 4.02Å; A75-E80 HydrophobicContact CB-CG 4.01Å; R76-E80 WeakPolarHBondContact CB-OE2 3.29Å; R76-E80 VanDerWaalsContact CG-OE2 3.24Å; R76-E80 WeakPolarHBondContact CG-OE2 3.4Å; R76-E80 PolarHBondContact N-OE2 3.02Å; S77-E80 PolarHBondContact O-N 3.2Å; S77-E80 VanDerWaalsContact O-N 3.16Å; S77-E80 PolarHBondContact OG-N 3.49Å; V78-E80 PolarHBondContact O-N 3.45Å; E80-Q82 VanDerWaalsContact C-N 3.26Å; E80-Q82 PolarHBondContact O-N 3.46Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-R83 IonicContact OE1-NH2 3.6Å; E80-R83 PolarHBondContact OE1-NH2 3.01Å; E80-W84 PolarHBondContact O-N 3.3Å
81R95.9Very high94.4Very high10 Ų1050.3 Ų50.34%0.03827%0.266CS..Hα-helixtrans-52.9-46.8168.1177.9-161.3-168.9-155.722.1110.4H54 D57 N58 R60 M61 A75 S77 V78 R83 W84 L85H54-R81 PolarHBondContact O-NH2 3.21Å; D57-R81 PolarHBondContact O-NH2 2.94Å; N58-R81 WeakPolarHBondContact O-CD 3.36Å; N58-R81 PolarHBondContact O-NH1 3.27Å; N58-R81 PolarHBondContact OD1-NH1 2.99Å; N58-R81 VanDerWaalsContact OD1-NH1 3.16Å; R60-R81 VanDerWaalsContact O-CZ 3.26Å; R60-R81 PolarHBondContact O-NE 3.33Å; R60-R81 PolarHBondContact O-NH2 2.96Å; M61-R81 HydrophobicContact SD-CG 4.28Å; A75-R81 HydrophobicContact CB-CB 3.92Å; S77-R81 PolarHBondContact O-N 2.92Å; V78-R81 PolarHBondContact O-N 3.05Å; R81-R83 PolarHBondContact O-N 2.61Å; R81-W84 PolarHBondContact O-N 2.65Å; R81-L85 HydrophobicContact CG-CD1 3.92Å; R81-L85 HydrophobicContact CG-CG 4.26Å; R81-L85 WeakPolarHBondContact O-CG 3.49Å; R81-L85 PolarHBondContact O-N 3.02Å
82Q96Very high94.2Very high106 Ų10653.1 Ų53.150%0.49528%0.278SS..Hα-helixtrans-64.1-41-179.4-169.559.827.400112.6V78 A79 E80 W84 L85 V86V78-Q82 WeakPolarHBondContact O-CB 3.45Å; V78-Q82 PolarHBondContact O-N 3.38Å; A79-Q82 PolarHBondContact O-N 2.86Å; E80-Q82 VanDerWaalsContact C-N 3.26Å; E80-Q82 PolarHBondContact O-N 3.46Å; Q82-W84 VanDerWaalsContact C-N 3.33Å; Q82-W84 PolarHBondContact O-N 3.16Å; Q82-L85 PolarHBondContact O-N 2.92Å; Q82-V86 WeakPolarHBondContact O-CG2 3.41Å; Q82-V86 PolarHBondContact O-N 3.44Å
83R96.2Very high93.6Very high137 Ų13751.5 Ų51.552%0.51728%0.281SS..Hα-helixtrans-58-45.6173-71-171.5-59.7-106.85.8111.7M1 A79 E80 R81 A87M1-R83 HydrophobicContact CE-CB 3.91Å; A79-R83 WeakPolarHBondContact O-CG 3.44Å; A79-R83 PolarHBondContact O-N 3Å; A79-R83 VanDerWaalsContact O-N 3.09Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-R83 IonicContact OE1-NH2 3.6Å; E80-R83 PolarHBondContact OE1-NH2 3.01Å; R81-R83 PolarHBondContact O-N 2.61Å; R83-A87 PolarHBondContact O-N 2.78Å
84W96.4Very high92.4Very high3 Ų355.4 Ų55.41%0.01131%0.307CS..Hα-helixtrans-65.3-47.1177.3-82.6108.9000112.4M1 L5 F20 L22 L27 M61 E80 R81 Q82 V86 A87 L88M1-W84 HydrophobicContact CE-CB 4.38Å; M1-W84 HydrophobicContact CE-CD2 3.49Å; M1-W84 VanDerWaalsContact CE-CD2 3.49Å; M1-W84 HydrophobicContact CE-CE3 4.04Å; M1-W84 HydrophobicContact CE-CG 3.63Å; M1-W84 HydrophobicContact CE-CZ2 4.23Å; M1-W84 HydrophobicContact CG-CE3 4.36Å; M1-W84 HydrophobicContact CG-CH2 4.31Å; M1-W84 HydrophobicContact CG-CZ3 4.18Å; M1-W84 HydrophobicContact SD-CD2 3.96Å; M1-W84 HydrophobicContact SD-CE3 3.86Å; M1-W84 HydrophobicContact SD-CG 4.37Å; M1-W84 HydrophobicContact SD-CZ3 4.28Å; L5-W84 HydrophobicContact CD1-CD2 3.96Å; L5-W84 HydrophobicContact CD1-CE3 4.47Å; L5-W84 HydrophobicContact CD1-CG 4.22Å; L5-W84 HydrophobicContact CD1-CZ2 4.2Å; L5-W84 HydrophobicContact CD2-CG 4.27Å; L5-W84 HydrophobicContact CG-CD2 4.48Å; L5-W84 HydrophobicContact CG-CZ2 4.31Å; F20-W84 HydrophobicContact CB-CH2 3.62Å; F20-W84 HydrophobicContact CB-CZ2 3.98Å; F20-W84 HydrophobicContact CB-CZ3 4.43Å; L22-W84 HydrophobicContact CB-CZ3 4.05Å; L27-W84 HydrophobicContact CD1-CH2 4.33Å; L27-W84 HydrophobicContact CD1-CZ3 3.77Å; M61-W84 HydrophobicContact CE-CB 3.64Å; M61-W84 HydrophobicContact CE-CG 4.02Å; M61-W84 HydrophobicContact SD-CB 3.92Å; E80-W84 PolarHBondContact O-N 3.3Å; R81-W84 PolarHBondContact O-N 2.65Å; Q82-W84 VanDerWaalsContact C-N 3.33Å; Q82-W84 PolarHBondContact O-N 3.16Å; W84-V86 VanDerWaalsContact C-N 3.3Å; W84-V86 PolarHBondContact O-N 3.05Å; W84-A87 PolarHBondContact O-N 2.96Å; W84-L88 HydrophobicContact CB-CD1 4.2Å; W84-L88 HydrophobicContact CE3-CD1 4.32Å; W84-L88 HydrophobicContact CE3-CG 4.29Å; W84-L88 VanDerWaalsContact O-CB 3.25Å; W84-L88 WeakPolarHBondContact O-CB 3.19Å; W84-L88 WeakPolarHBondContact O-CD1 3.42Å; W84-L88 WeakPolarHBondContact O-CG 3.5Å; W84-L88 PolarHBondContact O-N 3.46Å
85L95.1Very high90.8Very high22 Ų2254.3 Ų54.312%0.11530%0.304CS..Hα-helixtrans-56.8-42.5177.7-73.8175.3000112I51 V53 M61 R81 Q82 G89I51-L85 HydrophobicContact CG2-CD2 3.59Å; V53-L85 HydrophobicContact CG1-CD1 4.41Å; V53-L85 HydrophobicContact CG2-CD1 4.02Å; V53-L85 HydrophobicContact CG2-CD2 3.98Å; M61-L85 HydrophobicContact CB-CD2 3.9Å; M61-L85 HydrophobicContact CG-CD2 4.47Å; M61-L85 HydrophobicContact SD-CD2 3.98Å; M61-L85 HydrophobicContact SD-CG 4.07Å; R81-L85 HydrophobicContact CG-CD1 3.92Å; R81-L85 HydrophobicContact CG-CG 4.26Å; R81-L85 WeakPolarHBondContact O-CG 3.49Å; R81-L85 PolarHBondContact O-N 3.02Å; Q82-L85 PolarHBondContact O-N 2.92Å; L85-G89 PolarHBondContact O-N 2.89Å
86V94.6Very high89Confident81 Ų8158 Ų5849%0.49133%0.326SS..Hα-helixtrans-61.6-53.4174.4170.50000110.8Q82 W84 L88 G89 S90Q82-V86 WeakPolarHBondContact O-CG2 3.41Å; Q82-V86 PolarHBondContact O-N 3.44Å; W84-V86 VanDerWaalsContact C-N 3.3Å; W84-V86 PolarHBondContact O-N 3.05Å; V86-L88 PolarHBondContact O-N 3.06Å; V86-G89 PolarHBondContact O-N 3.36Å; V86-S90 PolarHBondContact O-N 3.32Å; V86-S90 PolarHBondContact O-OG 3.49Å
87A93.6Very high87.1Confident24 Ų2453.2 Ų53.220%0.19832%0.316CS..Hα-helixtrans-64.9-39.3-176.700000113.3M1 L22 R83 W84 A91M1-A87 HydrophobicContact CB-CB 4.14Å; M1-A87 HydrophobicContact CG-CB 4.38Å; M1-A87 HydrophobicContact SD-CB 3.35Å; M1-A87 WeakPolarHBondContact SD-CB 3.38Å; L22-A87 HydrophobicContact CD2-CB 3.93Å; R83-A87 PolarHBondContact O-N 2.78Å; W84-A87 PolarHBondContact O-N 2.96Å; A87-A91 WeakPolarHBondContact O-CB 3.38Å; A87-A91 PolarHBondContact O-N 2.94Å
88L94.1Very high85.3Confident0 Ų053.8 Ų53.80%032%0.32CS..Hα-helixtrans-66.5-41.7175.9-67.3164.8000111L22 L27 M46 I51 M61 L63 W84 V86 A91 K92L22-L88 HydrophobicContact CD1-CD2 4.31Å; L22-L88 HydrophobicContact CD2-CD2 3.95Å; L22-L88 HydrophobicContact CD2-CG 4.33Å; L27-L88 HydrophobicContact CD1-CD2 4.15Å; L27-L88 HydrophobicContact CD2-CD2 3.91Å; L27-L88 HydrophobicContact CG-CD2 4.44Å; M46-L88 HydrophobicContact CE-CB 3.74Å; M46-L88 HydrophobicContact CE-CD2 3.51Å; M46-L88 HydrophobicContact CE-CG 4.22Å; M46-L88 HydrophobicContact SD-CD2 3.61Å; I51-L88 HydrophobicContact CD1-CB 3.83Å; M61-L88 HydrophobicContact CE-CD1 4.09Å; M61-L88 HydrophobicContact SD-CD1 4.28Å; L63-L88 HydrophobicContact CD1-CD2 4.5Å; L63-L88 HydrophobicContact CD2-CD1 4.44Å; W84-L88 HydrophobicContact CB-CD1 4.2Å; W84-L88 HydrophobicContact CE3-CD1 4.32Å; W84-L88 HydrophobicContact CE3-CG 4.29Å; W84-L88 VanDerWaalsContact O-CB 3.25Å; W84-L88 WeakPolarHBondContact O-CB 3.19Å; W84-L88 WeakPolarHBondContact O-CD1 3.42Å; W84-L88 WeakPolarHBondContact O-CG 3.5Å; W84-L88 PolarHBondContact O-N 3.46Å; V86-L88 PolarHBondContact O-N 3.06Å; L88-A91 PolarHBondContact O-N 2.96Å; L88-K92 PolarHBondContact O-N 3.45Å
89G91.3Very high83.3Confident30 Ų3058 Ų5831%0.30933%0.327SS..Hα-helixtrans-63-49.6174.700000112.7L85 V86 A91 K92 A93L85-G89 PolarHBondContact O-N 2.89Å; V86-G89 PolarHBondContact O-N 3.36Å; G89-A91 PolarHBondContact O-N 3.46Å; G89-K92 PolarHBondContact O-N 3.31Å; G89-A93 PolarHBondContact O-N 2.92Å
90S88.9Confident81.4Confident65 Ų6559 Ų5946%0.45533%0.328SS..Hα-helixtrans-59.8-44.5175.1-61.60000112V86 K92 A93 C94V86-S90 PolarHBondContact O-N 3.32Å; V86-S90 PolarHBondContact O-OG 3.49Å; S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 3.49Å; S90-A93 PolarHBondContact O-N 3.19Å; S90-C94 PolarHBondContact O-N 3.45Å; S90-C94 PolarHBondContact O-SG 3.27Å; S90-C94 VanDerWaalsContact O-SG 3.32Å
91A87.9Confident79.8Confident20 Ų2063.1 Ų63.117%0.16535%0.347CS..Hα-helixtrans-64.4-28.6177.500000113.2L22 M46 A87 L88 G89 L95L22-A91 HydrophobicContact CD1-CB 3.96Å; L22-A91 HydrophobicContact CD2-CB 4.04Å; L22-A91 HydrophobicContact CG-CB 4.33Å; M46-A91 HydrophobicContact CB-CB 4.44Å; M46-A91 HydrophobicContact CG-CB 4.14Å; A87-A91 WeakPolarHBondContact O-CB 3.38Å; A87-A91 PolarHBondContact O-N 2.94Å; L88-A91 PolarHBondContact O-N 2.96Å; G89-A91 PolarHBondContact O-N 3.46Å; A91-L95 VanDerWaalsContact O-CD1 3.31Å; A91-L95 WeakPolarHBondContact O-CD1 3.3Å; A91-L95 VanDerWaalsContact O-CG 3.32Å; A91-L95 WeakPolarHBondContact O-CG 3.46Å
92K87.2Confident78Confident64 Ų6468.6 Ų68.628%0.27837%0.371SS..Hα-helixtrans-74.1-43.7171.7-177.2166.8-175.3175.60111.9M46 C49 L88 G89 S90 L95M46-K92 HydrophobicContact CB-CB 4.45Å; M46-K92 WeakPolarHBondContact O-CD 3.34Å; M46-K92 VanDerWaalsContact O-CG 3.31Å; M46-K92 WeakPolarHBondContact O-CG 3.27Å; C49-K92 WeakPolarHBondContact O-CE 2.95Å; C49-K92 PolarHBondContact O-NZ 3.4Å; L88-K92 PolarHBondContact O-N 3.45Å; G89-K92 PolarHBondContact O-N 3.31Å; S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 3.49Å; K92-L95 PolarHBondContact O-N 3.44Å
93A80.7Confident76.2Confident45 Ų4568.3 Ų68.337%0.37237%0.369SS..Hα-helixtrans-64.4-46.2-178.600000113.2G89 S90 L95 T96 D97G89-A93 PolarHBondContact O-N 2.92Å; S90-A93 PolarHBondContact O-N 3.19Å; A93-L95 PolarHBondContact O-N 3.31Å; A93-L95 VanDerWaalsContact O-N 3.07Å; A93-T96 PolarHBondContact O-N 2.74Å; A93-T96 PolarHBondContact O-OG1 2.99Å; A93-D97 PolarHBondContact O-N 2.76Å
94C70.9Confident74.8Confident83 Ų8368.5 Ų68.556%0.56137%0.374SS*.Hα-helixtrans-60.5-25179.4-620000113.2S90 S98S90-C94 PolarHBondContact O-N 3.45Å; S90-C94 PolarHBondContact O-SG 3.27Å; S90-C94 VanDerWaalsContact O-SG 3.32Å; C94-S98 WeakPolarHBondContact O-CB 3.45Å; C94-S98 PolarHBondContact O-N 2.92Å; C94-S98 PolarHBondContact O-OG 3.21Å
95L63.3Low73.5Confident40 Ų4072.4 Ų72.421%0.20939%0.392CS..Hα-helixtrans-75.4-37.3177-66.5170000112.2M46 A47 A91 K92 A93 S98 R99M46-L95 HydrophobicContact CB-CD1 4.06Å; A47-L95 HydrophobicContact CB-CB 4.19Å; A47-L95 HydrophobicContact CB-CD1 3.86Å; A91-L95 VanDerWaalsContact O-CD1 3.31Å; A91-L95 WeakPolarHBondContact O-CD1 3.3Å; A91-L95 VanDerWaalsContact O-CG 3.32Å; A91-L95 WeakPolarHBondContact O-CG 3.46Å; K92-L95 PolarHBondContact O-N 3.44Å; A93-L95 PolarHBondContact O-N 3.31Å; A93-L95 VanDerWaalsContact O-N 3.07Å; L95-S98 PolarHBondContact O-OG 3.3Å; L95-R99 PolarHBondContact O-N 2.92Å
96T58.8Low72.2Confident78 Ų7876 Ų7648%0.47941%0.407SS..Hα-helixtrans-66-41.2175.641.70000111.7A93 R99 T100A93-T96 PolarHBondContact O-N 2.74Å; A93-T96 PolarHBondContact O-OG1 2.99Å; T96-R99 PolarHBondContact O-N 3.21Å; T96-T100 PolarHBondContact O-N 2.92Å; T96-T100 VanDerWaalsContact O-N 3.09Å; T96-T100 PolarHBondContact O-OG1 3.15Å
97D55.9Low71Confident99 Ų9974.4 Ų74.453%0.52940%0.403SS..Hα-helixtrans-67.4-42.2179.7-56.1-23.1000111.4A93 R99 T100 Q101A93-D97 PolarHBondContact O-N 2.76Å; D97-R99 PolarHBondContact O-N 3.2Å; D97-T100 PolarHBondContact O-N 3.11Å; D97-T100 PolarHBondContact O-OG1 3.17Å; D97-Q101 WeakPolarHBondContact O-CB 3.47Å; D97-Q101 PolarHBondContact O-N 2.86Å
98S56.3Low70.3Confident56 Ų5678.4 Ų78.439%0.39242%0.417SS..Hα-helixtrans-62.7-23.6176.275.80000113.7C94 L95 K102C94-S98 WeakPolarHBondContact O-CB 3.45Å; C94-S98 PolarHBondContact O-N 2.92Å; C94-S98 PolarHBondContact O-OG 3.21Å; L95-S98 PolarHBondContact O-OG 3.3Å; S98-K102 WeakPolarHBondContact O-CG 3.38Å
99R55.3Low69.3Low166 Ų16680.9 Ų80.963%0.62643%0.431SS*.Hα-helixtrans-82.7-51.1177.5178.9178.2172-179.1-4.3111.1L95 T96 D97 Q101 K102 E103L95-R99 PolarHBondContact O-N 2.92Å; T96-R99 PolarHBondContact O-N 3.21Å; D97-R99 PolarHBondContact O-N 3.2Å; R99-Q101 VanDerWaalsContact C-N 3.28Å; R99-Q101 PolarHBondContact O-N 2.84Å; R99-K102 PolarHBondContact O-N 3.02Å; R99-K102 VanDerWaalsContact O-N 3.17Å; R99-E103 HydrophobicContact CG-CG 4.45Å; R99-E103 IonicContact CZ-OE1 2.64Å; R99-E103 VanDerWaalsContact CZ-OE1 3.24Å; R99-E103 IonicContact NE-OE1 3.45Å; R99-E103 PolarHBondContact NE-OE1 3.4Å; R99-E103 IonicContact NE-OE2 2.65Å; R99-E103 IonicContact NH2-OE1 2.65Å; R99-E103 PolarHBondContact NH2-OE1 3.41Å; R99-E103 WeakPolarHBondContact O-CG 3.48Å; R99-E103 PolarHBondContact O-N 3.23Å
100T56.4Low68.3Low82 Ų8281.6 Ų81.650%0.50343%0.429SS..Hα-helixtrans-65-33.5-179.854.20000111.8T96 D97 K104T96-T100 PolarHBondContact O-N 2.92Å; T96-T100 VanDerWaalsContact O-N 3.09Å; T96-T100 PolarHBondContact O-OG1 3.15Å; D97-T100 PolarHBondContact O-N 3.11Å; D97-T100 PolarHBondContact O-OG1 3.17Å; T100-K104 WeakPolarHBondContact O-CB 3.48Å; T100-K104 PolarHBondContact O-N 3.15Å
101Q61Low67.9Low115 Ų11583 Ų8354%0.53743%0.428SS..Hα-helixtrans-61.9-47.9171-179.8169.5-9.500111.8D97 R99 K104 E105D97-Q101 WeakPolarHBondContact O-CB 3.47Å; D97-Q101 PolarHBondContact O-N 2.86Å; R99-Q101 VanDerWaalsContact C-N 3.28Å; R99-Q101 PolarHBondContact O-N 2.84Å; Q101-K104 PolarHBondContact O-N 3.13Å; Q101-E105 HydrophobicContact CG-CG 4.33Å; Q101-E105 VanDerWaalsContact CG-OE1 3.26Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.47Å; Q101-E105 PolarHBondContact NE2-OE1 3.15Å; Q101-E105 WeakPolarHBondContact O-CB 3.3Å; Q101-E105 WeakPolarHBondContact O-CG 3.34Å; Q101-E105 PolarHBondContact O-N 3.35Å
102K58.7Low67.5Low125 Ų12585.5 Ų85.554%0.54344%0.439SS..Hα-helixtrans-65.6-39.8177.9-77.1-175.2175.2-166.90113.2S98 R99 K104 E105 F106S98-K102 WeakPolarHBondContact O-CG 3.38Å; R99-K102 PolarHBondContact O-N 3.02Å; R99-K102 VanDerWaalsContact O-N 3.17Å; K102-K104 VanDerWaalsContact C-N 3.28Å; K102-K104 PolarHBondContact O-N 3.5Å; K102-E105 PolarHBondContact O-N 2.89Å; K102-F106 VanDerWaalsContact O-CB 3.31Å; K102-F106 WeakPolarHBondContact O-CB 3.17Å; K102-F106 PolarHBondContact O-N 3.44Å
103E57.8Low66.9Low99 Ų9984 Ų8446%0.46343%0.434SS..Hα-helixtrans-63.1-36.6175.1-72.3171.1166.900110.9R99 A107R99-E103 HydrophobicContact CG-CG 4.45Å; R99-E103 IonicContact CZ-OE1 2.64Å; R99-E103 VanDerWaalsContact CZ-OE1 3.24Å; R99-E103 IonicContact NE-OE1 3.45Å; R99-E103 PolarHBondContact NE-OE1 3.4Å; R99-E103 IonicContact NE-OE2 2.65Å; R99-E103 IonicContact NH2-OE1 2.65Å; R99-E103 PolarHBondContact NH2-OE1 3.41Å; R99-E103 WeakPolarHBondContact O-CG 3.48Å; R99-E103 PolarHBondContact O-N 3.23Å; E103-A107 PolarHBondContact O-N 3.27Å
104K67.7Low66.6Low141 Ų14187.1 Ų87.161%0.61344%0.439SS*.Hα-helixtrans-69.7-49.1172.6-174.1-173172.3-1670112.9T100 Q101 K102 F106 A107 E108T100-K104 WeakPolarHBondContact O-CB 3.48Å; T100-K104 PolarHBondContact O-N 3.15Å; Q101-K104 PolarHBondContact O-N 3.13Å; K102-K104 VanDerWaalsContact C-N 3.28Å; K102-K104 PolarHBondContact O-N 3.5Å; K104-F106 VanDerWaalsContact C-N 3.27Å; K104-F106 PolarHBondContact O-N 2.98Å; K104-A107 PolarHBondContact O-N 3.09Å; K104-A107 VanDerWaalsContact O-N 3.14Å; K104-E108 WeakPolarHBondContact O-CB 3.48Å; K104-E108 PolarHBondContact O-N 3.28Å
105E68.3Low67.2Low86 Ų8687 Ų8740%0.40244%0.435SS..Hα-helixtrans-59.9-37.4178.7-74.8170.1-177.500111.5Q101 K102 N109Q101-E105 HydrophobicContact CG-CG 4.33Å; Q101-E105 VanDerWaalsContact CG-OE1 3.26Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.47Å; Q101-E105 PolarHBondContact NE2-OE1 3.15Å; Q101-E105 WeakPolarHBondContact O-CB 3.3Å; Q101-E105 WeakPolarHBondContact O-CG 3.34Å; Q101-E105 PolarHBondContact O-N 3.35Å; K102-E105 PolarHBondContact O-N 2.89Å; E105-N109 VanDerWaalsContact O-CB 3.32Å; E105-N109 WeakPolarHBondContact O-CB 3.43Å; E105-N109 VanDerWaalsContact O-CG 3.27Å; E105-N109 PolarHBondContact O-N 3.28Å; E105-N109 PolarHBondContact O-ND2 3.41Å
106F67.3Low67.8Low97 Ų9787.2 Ų87.243%0.42544%0.435SS..Hα-helixtrans-65.7-43.3174-177.3-92000112.4K102 K104 T110K102-F106 VanDerWaalsContact O-CB 3.31Å; K102-F106 WeakPolarHBondContact O-CB 3.17Å; K102-F106 PolarHBondContact O-N 3.44Å; K104-F106 VanDerWaalsContact C-N 3.27Å; K104-F106 PolarHBondContact O-N 2.98Å; F106-T110 WeakPolarHBondContact O-CB 3.39Å; F106-T110 PolarHBondContact O-N 3.38Å; F106-T110 PolarHBondContact O-OG1 3.4Å
107A70.4Confident68.5Low48 Ų4887.9 Ų87.940%0.39743%0.433SS..Hα-helixtrans-63.8-44.8175.800000111.8E103 K104 T110 E111E103-A107 PolarHBondContact O-N 3.27Å; K104-A107 PolarHBondContact O-N 3.09Å; K104-A107 VanDerWaalsContact O-N 3.14Å; A107-T110 WeakPolarHBondContact O-CB 3.32Å; A107-T110 PolarHBondContact O-N 2.95Å; A107-T110 VanDerWaalsContact O-N 3.11Å; A107-E111 PolarHBondContact O-N 2.88Å
108E78.1Confident69.8Low107 Ų10785.9 Ų85.950%0.543%0.428SS..Hα-helixtrans-63.5-44.9179.1-168166.7162.900111.7K104 T110 E111 N112K104-E108 WeakPolarHBondContact O-CB 3.48Å; K104-E108 PolarHBondContact O-N 3.28Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 2.85Å; E108-E111 PolarHBondContact O-N 3.46Å; E108-N112 WeakPolarHBondContact O-CB 3.45Å; E108-N112 VanDerWaalsContact O-CG 3.25Å; E108-N112 PolarHBondContact O-N 3.37Å; E108-N112 PolarHBondContact O-ND2 2.85Å; E108-N112 VanDerWaalsContact O-ND2 3.14Å
109N74.3Confident71Confident53 Ų5385.7 Ų85.728%0.28342%0.42SS..Hα-helixtrans-61.4-33.9172-75.4-44.1000112.8E105 L113 I172E105-N109 VanDerWaalsContact O-CB 3.32Å; E105-N109 WeakPolarHBondContact O-CB 3.43Å; E105-N109 VanDerWaalsContact O-CG 3.27Å; E105-N109 PolarHBondContact O-N 3.28Å; E105-N109 PolarHBondContact O-ND2 3.41Å; N109-L113 WeakPolarHBondContact O-CB 3.12Å; N109-L113 PolarHBondContact O-N 2.96Å; N109-I172 HydrophobicContact CB-CG2 4.27Å; N109-I172 WeakPolarHBondContact O-CG2 3.36Å
110T70.3Confident72.1Confident44 Ų4478.5 Ų78.527%0.2739%0.394SS..Hα-helixtrans-68.8-43.8177.6-61.70000112.1F106 A107 E108 L113 K114F106-T110 WeakPolarHBondContact O-CB 3.39Å; F106-T110 PolarHBondContact O-N 3.38Å; F106-T110 PolarHBondContact O-OG1 3.4Å; A107-T110 WeakPolarHBondContact O-CB 3.32Å; A107-T110 PolarHBondContact O-N 2.95Å; A107-T110 VanDerWaalsContact O-N 3.11Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 2.85Å; T110-L113 PolarHBondContact O-N 2.98Å; T110-K114 WeakPolarHBondContact O-CG 3.27Å; T110-K114 PolarHBondContact O-N 3.41Å
111E80.4Confident73Confident96 Ų9682.7 Ų82.745%0.44940%0.401SS..Hα-helixtrans-70.1-36.8176.1-59.4-43.9123.300112.4A107 E108 L113 K114 T115A107-E111 PolarHBondContact O-N 2.88Å; E108-E111 PolarHBondContact O-N 3.46Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.25Å; E111-K114 VanDerWaalsContact CD-NZ 3.26Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 IonicContact OE1-NZ 3.83Å; E111-K114 PolarHBondContact OE1-NZ 3.14Å; E111-K114 VanDerWaalsContact OE2-CD 3.23Å; E111-K114 WeakPolarHBondContact OE2-CD 3.37Å; E111-K114 IonicContact OE2-NZ 3.8Å; E111-K114 PolarHBondContact OE2-NZ 2.78Å; E111-T115 WeakPolarHBondContact O-CB 3.44Å; E111-T115 PolarHBondContact O-N 3.19Å; E111-T115 PolarHBondContact O-OG1 3.26Å
112N77.8Confident74Confident72 Ų7283 Ų8339%0.38541%0.405SS..Hα-helixtrans-61-43.1172.6-73.3-30.5000111.4E108 T115 K116 I172E108-N112 WeakPolarHBondContact O-CB 3.45Å; E108-N112 VanDerWaalsContact O-CG 3.25Å; E108-N112 PolarHBondContact O-N 3.37Å; E108-N112 PolarHBondContact O-ND2 2.85Å; E108-N112 VanDerWaalsContact O-ND2 3.14Å; N112-T115 PolarHBondContact O-N 3.17Å; N112-K116 WeakPolarHBondContact O-CG 3.49Å; N112-K116 PolarHBondContact O-N 2.85Å; N112-I172 HydrophobicContact CB-CD1 4.43Å
113L74.5Confident75.1Confident33 Ų3380.2 Ų80.217%0.17339%0.392CS..Hα-helixtrans-65.2-41176.2-174.761.1000112.6N109 T110 E111 T115 K116 M117 C169 I172 A173N109-L113 WeakPolarHBondContact O-CB 3.12Å; N109-L113 PolarHBondContact O-N 2.96Å; T110-L113 PolarHBondContact O-N 2.98Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.25Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 3.26Å; L113-K116 PolarHBondContact O-N 3.2Å; L113-M117 HydrophobicContact CD1-CG 4.48Å; L113-M117 WeakPolarHBondContact O-CB 3.06Å; L113-M117 VanDerWaalsContact O-CG 3.29Å; L113-M117 WeakPolarHBondContact O-CG 3.29Å; L113-M117 PolarHBondContact O-N 3.25Å; L113-C169 HydrophobicContact CD1-CB 4.07Å; L113-I172 HydrophobicContact CB-CG2 3.97Å; L113-A173 HydrophobicContact CD2-CB 4.33Å
114K76Confident75.9Confident110 Ų11078.3 Ų78.348%0.47839%0.389SS..Hα-helixtrans-61-41.1173.9-73166.7179.1173.10112.2T110 E111 S118T110-K114 WeakPolarHBondContact O-CG 3.27Å; T110-K114 PolarHBondContact O-N 3.41Å; E111-K114 VanDerWaalsContact CD-NZ 3.26Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 IonicContact OE1-NZ 3.83Å; E111-K114 PolarHBondContact OE1-NZ 3.14Å; E111-K114 VanDerWaalsContact OE2-CD 3.23Å; E111-K114 WeakPolarHBondContact OE2-CD 3.37Å; E111-K114 IonicContact OE2-NZ 3.8Å; E111-K114 PolarHBondContact OE2-NZ 2.78Å; K114-S118 PolarHBondContact O-N 2.67Å; K114-S118 VanDerWaalsContact O-N 3.1Å; K114-S118 PolarHBondContact O-OG 3.42Å
115T82.6Confident76.5Confident79 Ų7975.9 Ų75.949%0.48538%0.383SS..Hα-helixtrans-63.2-50177.3-55.60000110.3E111 N112 L113 M117 S118 E119E111-T115 WeakPolarHBondContact O-CB 3.44Å; E111-T115 PolarHBondContact O-N 3.19Å; E111-T115 PolarHBondContact O-OG1 3.26Å; N112-T115 PolarHBondContact O-N 3.17Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 3.26Å; T115-M117 PolarHBondContact O-N 3.31Å; T115-S118 WeakPolarHBondContact O-CA 3.37Å; T115-S118 WeakPolarHBondContact O-CB 3.32Å; T115-S118 PolarHBondContact O-N 2.91Å; T115-E119 PolarHBondContact O-N 2.93Å
116K76.7Confident77.2Confident45 Ų4574.9 Ų74.920%0.19638%0.38CS..Hα-helixtrans-65.4-35.5178.5-70.1-78.7158.7-174.20113.6N112 L113 S118 E119 L120 T165 E168 C169 I172N112-K116 WeakPolarHBondContact O-CG 3.49Å; N112-K116 PolarHBondContact O-N 2.85Å; L113-K116 PolarHBondContact O-N 3.2Å; K116-S118 PolarHBondContact O-N 2.9Å; K116-E119 WeakPolarHBondContact CD-OE2 3.5Å; K116-E119 VanDerWaalsContact CE-OE1 3.23Å; K116-E119 WeakPolarHBondContact CE-OE1 3.42Å; K116-E119 WeakPolarHBondContact CE-OE2 3.5Å; K116-E119 IonicContact NZ-OE1 2.78Å; K116-E119 PolarHBondContact NZ-OE1 3.36Å; K116-E119 VanDerWaalsContact NZ-OE1 3.17Å; K116-E119 IonicContact NZ-OE2 2.83Å; K116-E119 PolarHBondContact NZ-OE2 2.99Å; K116-E119 WeakPolarHBondContact O-CB 3.41Å; K116-E119 PolarHBondContact O-N 3.13Å; K116-L120 WeakPolarHBondContact O-CG 3.23Å; K116-L120 PolarHBondContact O-N 2.89Å; K116-T165 HydrophobicContact CB-CG2 4.4Å; K116-T165 HydrophobicContact CD-CG2 3.76Å; K116-E168 HydrophobicContact CD-CB 4.44Å; K116-E168 WeakPolarHBondContact CE-OE2 3.35Å; K116-E168 IonicContact NZ-OE2 3.24Å; K116-E168 PolarHBondContact NZ-OE2 2.86Å; K116-C169 WeakPolarHBondContact CB-SG 3.34Å; K116-I172 HydrophobicContact CG-CD1 4.2Å
117M74.1Confident77.9Confident92 Ų9271.6 Ų71.645%0.45337%0.366SS..Hα-helixtrans-64.2-26.3169.6-79-73-174.500113.2L113 T115 L120 R121L113-M117 HydrophobicContact CD1-CG 4.48Å; L113-M117 WeakPolarHBondContact O-CB 3.06Å; L113-M117 VanDerWaalsContact O-CG 3.29Å; L113-M117 WeakPolarHBondContact O-CG 3.29Å; L113-M117 PolarHBondContact O-N 3.25Å; T115-M117 PolarHBondContact O-N 3.31Å; M117-L120 HydrophobicContact SD-CD1 4.34Å; M117-R121 WeakPolarHBondContact O-CG 3.34Å; M117-R121 PolarHBondContact O-N 3.41Å
118S81.8Confident78.4Confident58 Ų5872.9 Ų72.941%0.40637%0.369SS..Hα-helixtrans-81.1-39.8175.8-54.80000111.4K114 T115 K116 L120 R121 L122K114-S118 PolarHBondContact O-N 2.67Å; K114-S118 VanDerWaalsContact O-N 3.1Å; K114-S118 PolarHBondContact O-OG 3.42Å; T115-S118 WeakPolarHBondContact O-CA 3.37Å; T115-S118 WeakPolarHBondContact O-CB 3.32Å; T115-S118 PolarHBondContact O-N 2.91Å; K116-S118 PolarHBondContact O-N 2.9Å; S118-L120 VanDerWaalsContact C-N 3.33Å; S118-L120 PolarHBondContact O-N 3.33Å; S118-R121 PolarHBondContact O-N 2.96Å; S118-L122 PolarHBondContact O-N 2.86Å
119E81.1Confident78.6Confident52 Ų5274 Ų7424%0.24338%0.375CS..Hα-helixtrans-54.5-47.2167.7-69.7176-154.500111.4T115 K116 R121 L122 Y123 T165T115-E119 PolarHBondContact O-N 2.93Å; K116-E119 WeakPolarHBondContact CD-OE2 3.5Å; K116-E119 VanDerWaalsContact CE-OE1 3.23Å; K116-E119 WeakPolarHBondContact CE-OE1 3.42Å; K116-E119 WeakPolarHBondContact CE-OE2 3.5Å; K116-E119 IonicContact NZ-OE1 2.78Å; K116-E119 PolarHBondContact NZ-OE1 3.36Å; K116-E119 VanDerWaalsContact NZ-OE1 3.17Å; K116-E119 IonicContact NZ-OE2 2.83Å; K116-E119 PolarHBondContact NZ-OE2 2.99Å; K116-E119 WeakPolarHBondContact O-CB 3.41Å; K116-E119 PolarHBondContact O-N 3.13Å; E119-R121 VanDerWaalsContact C-N 3.3Å; E119-R121 PolarHBondContact O-N 3.48Å; E119-L122 PolarHBondContact O-N 3.34Å; E119-Y123 HydrophobicContact CB-CD2 4.34Å; E119-Y123 HydrophobicContact CB-CE2 3.92Å; E119-Y123 WeakPolarHBondContact O-CD2 3.32Å; E119-Y123 PolarHBondContact O-N 3.45Å; E119-T165 HydrophobicContact CB-CG2 3.91Å; E119-T165 WeakPolarHBondContact OE2-CG2 3.43Å
120L79.1Confident78.9Confident14 Ų1472.3 Ų72.37%0.07337%0.365CS..Hα-helixtrans-59.3-35.8179-78.1173.4000113.9K116 M117 S118 C124 F162 T165 L166 C169K116-L120 WeakPolarHBondContact O-CG 3.23Å; K116-L120 PolarHBondContact O-N 2.89Å; M117-L120 HydrophobicContact SD-CD1 4.34Å; S118-L120 VanDerWaalsContact C-N 3.33Å; S118-L120 PolarHBondContact O-N 3.33Å; L120-C124 WeakPolarHBondContact O-CB 3.27Å; L120-C124 PolarHBondContact O-N 3Å; L120-F162 HydrophobicContact CB-CE2 4.45Å; L120-F162 HydrophobicContact CD2-CD2 3.72Å; L120-F162 HydrophobicContact CD2-CE2 3.73Å; L120-F162 HydrophobicContact CD2-CG 4.21Å; L120-F162 HydrophobicContact CD2-CZ 4.22Å; L120-F162 WeakPolarHBondContact CD2-O 3.49Å; L120-T165 HydrophobicContact CD2-CG2 4.01Å; L120-T165 HydrophobicContact CG-CG2 3.84Å; L120-L166 HydrophobicContact CD1-CD1 4.02Å; L120-L166 HydrophobicContact CD2-CB 4.01Å; L120-C169 HydrophobicContact CD1-CB 4.22Å; L120-C169 VanDerWaalsContact CD1-SG 3.59Å
121R75.7Confident79.4Confident171 Ų17172.8 Ų72.865%0.64537%0.368SS*.Hα-helixtrans-66.5-49.9175.3-73172.3179.7159.90110.8M117 S118 E119 Y123 C124 D125M117-R121 WeakPolarHBondContact O-CG 3.34Å; M117-R121 PolarHBondContact O-N 3.41Å; S118-R121 PolarHBondContact O-N 2.96Å; E119-R121 VanDerWaalsContact C-N 3.3Å; E119-R121 PolarHBondContact O-N 3.48Å; R121-Y123 VanDerWaalsContact C-N 3.28Å; R121-Y123 PolarHBondContact O-N 3.33Å; R121-C124 WeakPolarHBondContact O-CA 3.35Å; R121-C124 WeakPolarHBondContact O-CB 3.44Å; R121-C124 PolarHBondContact O-N 3.36Å; R121-D125 VanDerWaalsContact O-CG 3.25Å; R121-D125 PolarHBondContact O-N 3.38Å
122L81.8Confident79.2Confident121 Ų12171.6 Ų71.663%0.63436%0.364SS*.Hα-helixtrans-58.7-38.7177.3-64.8171.6000112.3S118 E119 L126S118-L122 PolarHBondContact O-N 2.86Å; E119-L122 PolarHBondContact O-N 3.34Å; L122-L126 VanDerWaalsContact O-CB 3.27Å; L122-L126 WeakPolarHBondContact O-CB 3.5Å; L122-L126 PolarHBondContact O-N 2.98Å
123Y81.1Confident79.2Confident67 Ų6774.7 Ų74.726%0.26337%0.374SS..Hα-helixtrans-70.1-35.9173.5-64.4-41000112.8E119 R121 L126 L127 T161 T165E119-Y123 HydrophobicContact CB-CD2 4.34Å; E119-Y123 HydrophobicContact CB-CE2 3.92Å; E119-Y123 WeakPolarHBondContact O-CD2 3.32Å; E119-Y123 PolarHBondContact O-N 3.45Å; R121-Y123 VanDerWaalsContact C-N 3.28Å; R121-Y123 PolarHBondContact O-N 3.33Å; Y123-L126 PolarHBondContact O-N 2.82Å; Y123-L127 WeakPolarHBondContact O-CB 3.25Å; Y123-L127 VanDerWaalsContact O-CG 3.23Å; Y123-L127 WeakPolarHBondContact O-CG 3.28Å; Y123-L127 PolarHBondContact O-N 3.35Å; Y123-T161 HydrophobicContact CD2-CG2 4.42Å; Y123-T161 HydrophobicContact CE1-CG2 3.95Å; Y123-T161 HydrophobicContact CE2-CG2 3.81Å; Y123-T165 HydrophobicContact CE2-CG2 4.44Å; Y123-T165 WeakPolarHBondContact CE2-OG1 3.49Å
124C74.3Confident78.9Confident59 Ų5975.5 Ų75.540%0.39938%0.381SS..Hα-helixtrans-63.6-46.9173.4-169.20000111.5L120 R121 L126 L127 V128 F162L120-C124 WeakPolarHBondContact O-CB 3.27Å; L120-C124 PolarHBondContact O-N 3Å; R121-C124 WeakPolarHBondContact O-CA 3.35Å; R121-C124 WeakPolarHBondContact O-CB 3.44Å; R121-C124 PolarHBondContact O-N 3.36Å; C124-L126 VanDerWaalsContact C-N 3.32Å; C124-L126 PolarHBondContact O-N 3.1Å; C124-L127 PolarHBondContact O-N 2.97Å; C124-V128 WeakPolarHBondContact O-CG2 3.5Å; C124-V128 PolarHBondContact O-N 3.44Å; C124-F162 HydrophobicContact CB-CE2 4.25Å
125D80.3Confident78.4Confident89 Ų8975.8 Ų75.848%0.47638%0.382SS..Hα-helixtrans-61.6-41.9177.8-61-30.3000111R121 V128 Q129R121-D125 VanDerWaalsContact O-CG 3.25Å; R121-D125 PolarHBondContact O-N 3.38Å; D125-V128 PolarHBondContact O-N 2.86Å; D125-Q129 WeakPolarHBondContact O-CG 3.41Å; D125-Q129 PolarHBondContact O-N 3.32Å
126L84.3Confident77.6Confident65 Ų6578.2 Ų78.234%0.3439%0.388SS..Hα-helixtrans-65.1-38.8175.2-17960000112.6L122 Y123 C124 Q129 Q130 T158L122-L126 VanDerWaalsContact O-CB 3.27Å; L122-L126 WeakPolarHBondContact O-CB 3.5Å; L122-L126 PolarHBondContact O-N 2.98Å; Y123-L126 PolarHBondContact O-N 2.82Å; C124-L126 VanDerWaalsContact C-N 3.32Å; C124-L126 PolarHBondContact O-N 3.1Å; L126-Q129 PolarHBondContact O-N 3.18Å; L126-Q130 HydrophobicContact CD1-CG 4.32Å; L126-Q130 WeakPolarHBondContact O-CB 3.29Å; L126-Q130 VanDerWaalsContact O-CG 3.23Å; L126-Q130 WeakPolarHBondContact O-CG 3.35Å; L126-Q130 PolarHBondContact O-N 3.43Å; L126-T158 HydrophobicContact CB-CG2 4.39Å; L126-T158 HydrophobicContact CD2-CG2 3.83Å; L126-T158 HydrophobicContact CG-CG2 4.01Å
127L82.2Confident76.9Confident28 Ų2881 Ų8115%0.14741%0.409CS..Hα-helixtrans-64-42174.4-75.7172.7000111.7Y123 C124 Q130 V131 L155 T158 C159 F162Y123-L127 WeakPolarHBondContact O-CB 3.25Å; Y123-L127 VanDerWaalsContact O-CG 3.23Å; Y123-L127 WeakPolarHBondContact O-CG 3.28Å; Y123-L127 PolarHBondContact O-N 3.35Å; C124-L127 PolarHBondContact O-N 2.97Å; L127-Q130 PolarHBondContact O-N 3.36Å; L127-V131 WeakPolarHBondContact O-CB 3.3Å; L127-V131 VanDerWaalsContact O-CG2 3.29Å; L127-V131 WeakPolarHBondContact O-CG2 3.23Å; L127-V131 PolarHBondContact O-N 2.64Å; L127-L155 HydrophobicContact CD2-CD1 3.66Å; L127-T158 HydrophobicContact CD2-CG2 3.59Å; L127-T158 HydrophobicContact CG-CG2 3.71Å; L127-C159 WeakPolarHBondContact CD2-SG 3.43Å; L127-F162 HydrophobicContact CD1-CB 4.11Å; L127-F162 HydrophobicContact CD1-CD2 4.33Å; L127-F162 HydrophobicContact CD1-CG 4.12Å
128V81.2Confident76Confident76 Ų7682 Ų8246%0.46142%0.42SS..Hα-helixtrans-60.5-50.7174.9172.50000110.3C124 D125 Q130 V131 D132C124-V128 WeakPolarHBondContact O-CG2 3.5Å; C124-V128 PolarHBondContact O-N 3.44Å; D125-V128 PolarHBondContact O-N 2.86Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.06Å; V128-V131 PolarHBondContact O-N 3.06Å; V128-D132 PolarHBondContact O-N 3.28Å
129Q81.9Confident74.7Confident131 Ų13184.7 Ų84.761%0.61243%0.434SS*.Hα-helixtrans-58.3-40.9177.8-71.217513.400113D125 L126 K133D125-Q129 WeakPolarHBondContact O-CG 3.41Å; D125-Q129 PolarHBondContact O-N 3.32Å; L126-Q129 PolarHBondContact O-N 3.18Å; Q129-K133 VanDerWaalsContact O-CB 3.27Å; Q129-K133 WeakPolarHBondContact O-CB 3.49Å; Q129-K133 PolarHBondContact O-N 3.43Å; Q129-K133 VanDerWaalsContact O-N 3.07Å
130Q80.9Confident73.4Confident16 Ų1687.1 Ų87.18%0.07545%0.452CS..Hα-helixtrans-67.4-44.7176.6-73.4170.5200111.8L126 L127 V128 K133 T134 L155 T158L126-Q130 HydrophobicContact CD1-CG 4.32Å; L126-Q130 WeakPolarHBondContact O-CB 3.29Å; L126-Q130 VanDerWaalsContact O-CG 3.23Å; L126-Q130 WeakPolarHBondContact O-CG 3.35Å; L126-Q130 PolarHBondContact O-N 3.43Å; L127-Q130 PolarHBondContact O-N 3.36Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.06Å; Q130-K133 PolarHBondContact O-N 3.1Å; Q130-T134 PolarHBondContact O-N 3.47Å; Q130-T134 PolarHBondContact O-OG1 3.49Å; Q130-L155 HydrophobicContact CB-CD1 3.95Å; Q130-T158 PolarHBondContact NE2-OG1 2.97Å; Q130-T158 PolarHBondContact OE1-OG1 3.34Å
131V79.3Confident72.1Confident55 Ų5590 Ų9033%0.33349%0.486SS..Hα-helixtrans-62.4-45.4178.7163.90000111.1L127 V128 T134 K135 L155L127-V131 WeakPolarHBondContact O-CB 3.3Å; L127-V131 VanDerWaalsContact O-CG2 3.29Å; L127-V131 WeakPolarHBondContact O-CG2 3.23Å; L127-V131 PolarHBondContact O-N 2.64Å; V128-V131 PolarHBondContact O-N 3.06Å; V131-T134 WeakPolarHBondContact O-CB 3.44Å; V131-T134 PolarHBondContact O-N 3.27Å; V131-T134 VanDerWaalsContact O-N 3.15Å; V131-K135 WeakPolarHBondContact O-CG 3.48Å; V131-K135 PolarHBondContact O-N 2.96Å; V131-K135 VanDerWaalsContact O-N 3.14Å; V131-L155 HydrophobicContact CG2-CD1 3.88Å; V131-L155 HydrophobicContact CG2-CD2 4.3Å
132D77.5Confident70.7Confident70 Ų7087.4 Ų87.437%0.37449%0.489SS..Hα-helixtrans-67.6-41.4179.7-69.2-27.8000111.9V128 T134 K135 E136V128-D132 PolarHBondContact O-N 3.28Å; D132-T134 PolarHBondContact O-N 3.48Å; D132-K135 WeakPolarHBondContact O-CB 3.43Å; D132-K135 PolarHBondContact O-N 3.42Å; D132-K135 IonicContact OD1-NZ 2.65Å; D132-K135 PolarHBondContact OD1-NZ 3.15Å; D132-E136 PolarHBondContact O-N 3.37Å; D132-E136 VanDerWaalsContact O-N 3.14Å
133K76.4Confident69.4Low137 Ų13787.2 Ų87.260%0.59650%0.497SS*.Hα-helixtrans-59.9-31.2171-171.7170.9-177.4175.40113Q129 Q130 V137Q129-K133 VanDerWaalsContact O-CB 3.27Å; Q129-K133 WeakPolarHBondContact O-CB 3.49Å; Q129-K133 PolarHBondContact O-N 3.43Å; Q129-K133 VanDerWaalsContact O-N 3.07Å; Q130-K133 PolarHBondContact O-N 3.1Å; K133-V137 WeakPolarHBondContact O-CG2 3.45Å; K133-V137 PolarHBondContact O-N 2.73Å
134T68.8Low67.6Low51 Ų5191.4 Ų91.431%0.31352%0.524SS..Hα-helixtrans-69.8-35.8174.4-42.40000111.8Q130 V131 D132 T138 V151Q130-T134 PolarHBondContact O-N 3.47Å; Q130-T134 PolarHBondContact O-OG1 3.49Å; V131-T134 WeakPolarHBondContact O-CB 3.44Å; V131-T134 PolarHBondContact O-N 3.27Å; V131-T134 VanDerWaalsContact O-N 3.15Å; D132-T134 PolarHBondContact O-N 3.48Å; T134-T138 PolarHBondContact O-N 2.99Å; T134-T138 PolarHBondContact O-OG1 2.8Å; T134-V151 HydrophobicContact CG2-CG1 4.44Å; T134-V151 WeakPolarHBondContact OG1-CG1 3.29Å
135K66.6Low66.6Low115 Ų11593.8 Ų93.850%0.554%0.542SS..Hα-helixtrans-65.3-47.3177-64167.8-168.4160.40111.2V131 D132 V137 T138 T139V131-K135 WeakPolarHBondContact O-CG 3.48Å; V131-K135 PolarHBondContact O-N 2.96Å; V131-K135 VanDerWaalsContact O-N 3.14Å; D132-K135 WeakPolarHBondContact O-CB 3.43Å; D132-K135 PolarHBondContact O-N 3.42Å; D132-K135 IonicContact OD1-NZ 2.65Å; D132-K135 PolarHBondContact OD1-NZ 3.15Å; K135-V137 VanDerWaalsContact C-N 3.35Å; K135-V137 PolarHBondContact O-N 2.74Å; K135-T138 WeakPolarHBondContact O-CA 3.49Å; K135-T138 WeakPolarHBondContact O-CB 3.39Å; K135-T138 PolarHBondContact O-N 3.43Å; K135-T139 PolarHBondContact O-N 2.96Å; K135-T139 PolarHBondContact O-OG1 2.9Å
136E64.9Low65.2Low131 Ų13198.3 Ų98.361%0.61256%0.56SS**Hα-helixtrans-60.2-40.9-179-67.6-176.4148.800112.9D132 T138 T139 T140D132-E136 PolarHBondContact O-N 3.37Å; D132-E136 VanDerWaalsContact O-N 3.14Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 3.47Å; E136-T139 WeakPolarHBondContact CA-OG1 3.36Å; E136-T139 PolarHBondContact O-N 3.11Å; E136-T139 PolarHBondContact O-OG1 3.03Å; E136-T140 PolarHBondContact O-N 3.37Å; E136-T140 PolarHBondContact O-OG1 3.42Å
137V61.7Low63.6Low104 Ų104105.1 Ų105.163%0.6359%0.59SS**Hα-helixtrans-62.8-37.6174.3172.80000111.1K133 K135K133-V137 WeakPolarHBondContact O-CG2 3.45Å; K133-V137 PolarHBondContact O-N 2.73Å; K135-V137 VanDerWaalsContact C-N 3.35Å; K135-V137 PolarHBondContact O-N 2.74Å
138T56.3Low62.1Low111 Ų111107 Ų10768%0.68162%0.616SS**Hα-helixtrans-70.7-33-179.8-51.70000112.5T134 K135 E136T134-T138 PolarHBondContact O-N 2.99Å; T134-T138 PolarHBondContact O-OG1 2.8Å; K135-T138 WeakPolarHBondContact O-CA 3.49Å; K135-T138 WeakPolarHBondContact O-CB 3.39Å; K135-T138 PolarHBondContact O-N 3.43Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 3.47Å
139T53.5Low61Low116 Ų116109.6 Ų109.671%0.71263%0.626SS**Hα-helixtrans-79.2-17.2-179.948.10000114.7K135 E136K135-T139 PolarHBondContact O-N 2.96Å; K135-T139 PolarHBondContact O-OG1 2.9Å; E136-T139 WeakPolarHBondContact CA-OG1 3.36Å; E136-T139 PolarHBondContact O-N 3.11Å; E136-T139 PolarHBondContact O-OG1 3.03Å
140T53.5Low60.6Low102 Ų102107.9 Ų107.963%0.62662%0.621SS**Hα-helixtrans-99.9-7.4-164.7-47.60000114.3E136 V142E136-T140 PolarHBondContact O-N 3.37Å; E136-T140 PolarHBondContact O-OG1 3.42Å; T140-V142 PolarHBondContact O-N 3.12Å; T140-V142 VanDerWaalsContact O-N 3.14Å
141G52.1Low60.1Low75 Ų75109.6 Ų109.677%0.77363%0.632SS**  trans65.322.3154.700000118.3
142V45.9Very low59.6Low117 Ų117108.9 Ų108.971%0.70964%0.636SS**  trans-121.5120.6175.41800000110.7T140T140-V142 PolarHBondContact O-N 3.12Å; T140-V142 VanDerWaalsContact O-N 3.14Å
143S53.9Low59.7Low116 Ų116109.3 Ų109.381%0.81164%0.642SS**  trans-81.6113.1172.154.60000111
144N43.6Very low60Low155 Ų155106.3 Ų106.383%0.82963%0.632SS**  trans-130.7118.7159.1-83.8-35.9000108
145S53Low60.7Low110 Ų110106 Ų10677%0.76963%0.628SS**  trans-102112.3177.652.80000110.2
146E51.7Low61.4Low183 Ų183107.3 Ų107.386%0.85563%0.633SS**SBendtrans172158.9136.6-92.4157.2-155.700109.8G148E146-G148 VanDerWaalsContact C-N 3.34Å; E146-G148 PolarHBondContact O-N 3.28Å
147E51.8Low62.4Low208 Ų208104.2 Ų104.297%0.97263%0.627SS**SBendtrans53.334.4-177.8-57.8-157.7140.700117.6
148G50.3Low63.6Low67 Ų6799.8 Ų99.869%0.69160%0.6SS**  trans-97.7121.3161.400000111.9E146 D150E146-G148 VanDerWaalsContact C-N 3.34Å; E146-G148 PolarHBondContact O-N 3.28Å; G148-D150 PolarHBondContact O-N 3.37Å
149I57.6Low64.8Low131 Ų13196.7 Ų96.767%0.67258%0.582SS**  trans-58.9122.3159.2-62.4172.1000106.3V151 L154I149-V151 PolarHBondContact O-N 3.46Å; I149-L154 HydrophobicContact CG2-CB 4.34Å
150D72.8Confident66.3Low96 Ų9695.8 Ų95.851%0.51357%0.573SS.*  trans-55.4114.9-178.7167.837.8000109.9G148 G152 T153 L154G148-D150 PolarHBondContact O-N 3.37Å; D150-G152 PolarHBondContact O-N 3.42Å; D150-G152 PolarHBondContact OD1-N 3.46Å; D150-G152 WeakPolarHBondContact OD2-CA 3.4Å; D150-T153 HydrophobicContact CB-CG2 4.21Å; D150-T153 PolarHBondContact O-N 2.98Å; D150-T153 PolarHBondContact O-OG1 3.39Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.32Å; D150-T153 PolarHBondContact OD2-N 2.93Å; D150-L154 PolarHBondContact O-N 2.88Å
151V70.2Confident67.9Low51 Ų5193.4 Ų93.431%0.30956%0.558SS.*Hα-helixtrans-61.6-27.6-177.8-171.50000110.1T134 I149 L155T134-V151 HydrophobicContact CG2-CG1 4.44Å; T134-V151 WeakPolarHBondContact OG1-CG1 3.29Å; I149-V151 PolarHBondContact O-N 3.46Å; V151-L155 WeakPolarHBondContact O-CB 3.38Å; V151-L155 PolarHBondContact O-N 3.23Å
152G69.9Low69.5Low40 Ų4092.2 Ų92.241%0.41253%0.532SS..Hα-helixtrans-61.4-53.4168.700000113D150 L154 K156D150-G152 PolarHBondContact O-N 3.42Å; D150-G152 PolarHBondContact OD1-N 3.46Å; D150-G152 WeakPolarHBondContact OD2-CA 3.4Å; G152-L154 VanDerWaalsContact C-N 3.34Å; G152-L154 PolarHBondContact O-N 2.99Å; G152-K156 WeakPolarHBondContact O-CB 3.23Å; G152-K156 PolarHBondContact O-N 2.7Å
153T79.7Confident71.1Confident80 Ų8091.6 Ų91.649%0.49152%0.524SS..Hα-helixtrans-60.8-39.5174.661.90000113D150 K156 S157D150-T153 HydrophobicContact CB-CG2 4.21Å; D150-T153 PolarHBondContact O-N 2.98Å; D150-T153 PolarHBondContact O-OG1 3.39Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.32Å; D150-T153 PolarHBondContact OD2-N 2.93Å; T153-K156 PolarHBondContact O-N 2.89Å; T153-S157 WeakPolarHBondContact O-CB 3.48Å; T153-S157 PolarHBondContact O-N 3.35Å
154L81.5Confident72.7Confident73 Ų7392.3 Ų92.338%0.38251%0.512SS..Hα-helixtrans-65.7-50.7179.5-178.859.4000111.1I149 D150 G152 K156 S157 T158I149-L154 HydrophobicContact CG2-CB 4.34Å; D150-L154 PolarHBondContact O-N 2.88Å; G152-L154 VanDerWaalsContact C-N 3.34Å; G152-L154 PolarHBondContact O-N 2.99Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 3Å; L154-S157 WeakPolarHBondContact O-CB 3.25Å; L154-S157 PolarHBondContact O-N 3.14Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-T158 PolarHBondContact O-N 2.98Å; L154-T158 PolarHBondContact O-OG1 3.5Å
155L84.1Confident74.4Confident44 Ų4485.1 Ų85.123%0.2347%0.474CS..Hα-helixtrans-58.5-44.1175.9-177.367.3000111.4L127 Q130 V131 V151 S157 T158 C159L127-L155 HydrophobicContact CD2-CD1 3.66Å; Q130-L155 HydrophobicContact CB-CD1 3.95Å; V131-L155 HydrophobicContact CG2-CD1 3.88Å; V131-L155 HydrophobicContact CG2-CD2 4.3Å; V151-L155 WeakPolarHBondContact O-CB 3.38Å; V151-L155 PolarHBondContact O-N 3.23Å; L155-S157 VanDerWaalsContact C-N 3.31Å; L155-S157 PolarHBondContact O-N 2.98Å; L155-T158 PolarHBondContact O-N 3.48Å; L155-C159 WeakPolarHBondContact O-CB 3.26Å; L155-C159 PolarHBondContact O-N 3.04Å; L155-C159 PolarHBondContact O-SG 3.42Å; L155-C159 VanDerWaalsContact O-SG 3.33Å
156K82.1Confident75.5Confident143 Ų14383 Ų8362%0.62245%0.454SS*.Hα-helixtrans-61.1-38.3175.4-174.1175.8-178.4178.40112.3G152 T153 L154 N160G152-K156 WeakPolarHBondContact O-CB 3.23Å; G152-K156 PolarHBondContact O-N 2.7Å; T153-K156 PolarHBondContact O-N 2.89Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 3Å; K156-N160 WeakPolarHBondContact O-CB 3.49Å; K156-N160 PolarHBondContact O-N 3.11Å; K156-N160 PolarHBondContact O-ND2 2.98Å
157S85.6Confident76.8Confident67 Ų6779 Ų7947%0.46944%0.435SS..Hα-helixtrans-66.3-45.2176-1670000111.8T153 L154 L155 N160 T161T153-S157 WeakPolarHBondContact O-CB 3.48Å; T153-S157 PolarHBondContact O-N 3.35Å; L154-S157 WeakPolarHBondContact O-CB 3.25Å; L154-S157 PolarHBondContact O-N 3.14Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L155-S157 VanDerWaalsContact C-N 3.31Å; L155-S157 PolarHBondContact O-N 2.98Å; S157-N160 PolarHBondContact O-N 2.83Å; S157-T161 PolarHBondContact O-N 2.72Å; S157-T161 PolarHBondContact O-OG1 2.97Å
158T86.3Confident78.2Confident11 Ų1171.4 Ų71.47%0.06740%0.4CS..Hα-helixtrans-66.1-41.1176.7-55.60000111.6L126 L127 Q130 L154 L155 N160 T161 F162L126-T158 HydrophobicContact CB-CG2 4.39Å; L126-T158 HydrophobicContact CD2-CG2 3.83Å; L126-T158 HydrophobicContact CG-CG2 4.01Å; L127-T158 HydrophobicContact CD2-CG2 3.59Å; L127-T158 HydrophobicContact CG-CG2 3.71Å; Q130-T158 PolarHBondContact NE2-OG1 2.97Å; Q130-T158 PolarHBondContact OE1-OG1 3.34Å; L154-T158 PolarHBondContact O-N 2.98Å; L154-T158 PolarHBondContact O-OG1 3.5Å; L155-T158 PolarHBondContact O-N 3.48Å; T158-N160 PolarHBondContact O-N 3Å; T158-T161 PolarHBondContact O-N 3.13Å; T158-F162 WeakPolarHBondContact O-CB 3.17Å; T158-F162 PolarHBondContact O-N 3.37Å
159C81.6Confident79.4Confident46 Ų4668.4 Ų68.431%0.31137%0.368SS..Hα-helixtrans-58.9-47173.1-75.70000112.4L127 L155 T161 F162 L163L127-C159 WeakPolarHBondContact CD2-SG 3.43Å; L155-C159 WeakPolarHBondContact O-CB 3.26Å; L155-C159 PolarHBondContact O-N 3.04Å; L155-C159 PolarHBondContact O-SG 3.42Å; L155-C159 VanDerWaalsContact O-SG 3.33Å; C159-T161 VanDerWaalsContact C-N 3.28Å; C159-T161 PolarHBondContact O-N 3.29Å; C159-F162 PolarHBondContact O-N 3.48Å; C159-L163 WeakPolarHBondContact O-CB 3.32Å; C159-L163 VanDerWaalsContact O-CG 3.31Å; C159-L163 WeakPolarHBondContact O-CG 3.19Å; C159-L163 PolarHBondContact O-N 2.83Å
160N85.1Confident80.1Confident97 Ų9767 Ų6752%0.51936%0.36SS..Hα-helixtrans-61.1-38.9177.2-73.4-22000111.9K156 S157 T158 K164K156-N160 WeakPolarHBondContact O-CB 3.49Å; K156-N160 PolarHBondContact O-N 3.11Å; K156-N160 PolarHBondContact O-ND2 2.98Å; S157-N160 PolarHBondContact O-N 2.83Å; T158-N160 PolarHBondContact O-N 3Å; N160-K164 WeakPolarHBondContact O-CB 3.13Å; N160-K164 PolarHBondContact O-N 3Å
161T87.6Confident80.5Confident51 Ų5167.7 Ų67.731%0.31336%0.36SS..Hα-helixtrans-68.2-48.1178.5-52.10000110.9Y123 S157 T158 C159 L163 K164 T165Y123-T161 HydrophobicContact CD2-CG2 4.42Å; Y123-T161 HydrophobicContact CE1-CG2 3.95Å; Y123-T161 HydrophobicContact CE2-CG2 3.81Å; S157-T161 PolarHBondContact O-N 2.72Å; S157-T161 PolarHBondContact O-OG1 2.97Å; T158-T161 PolarHBondContact O-N 3.13Å; C159-T161 VanDerWaalsContact C-N 3.28Å; C159-T161 PolarHBondContact O-N 3.29Å; T161-L163 PolarHBondContact O-N 3.31Å; T161-K164 PolarHBondContact O-N 3.46Å; T161-T165 PolarHBondContact O-N 3.41Å; T161-T165 PolarHBondContact O-OG1 3.44Å
162F85.8Confident80.8Confident51 Ų5166.9 Ų66.922%0.22435%0.354CS..Hα-helixtrans-54.9-48.6174.7176.1-88.5000112L120 C124 L127 T158 C159 K164 T165 L166L120-F162 HydrophobicContact CB-CE2 4.45Å; L120-F162 HydrophobicContact CD2-CD2 3.72Å; L120-F162 HydrophobicContact CD2-CE2 3.73Å; L120-F162 HydrophobicContact CD2-CG 4.21Å; L120-F162 HydrophobicContact CD2-CZ 4.22Å; L120-F162 WeakPolarHBondContact CD2-O 3.49Å; C124-F162 HydrophobicContact CB-CE2 4.25Å; L127-F162 HydrophobicContact CD1-CB 4.11Å; L127-F162 HydrophobicContact CD1-CD2 4.33Å; L127-F162 HydrophobicContact CD1-CG 4.12Å; T158-F162 WeakPolarHBondContact O-CB 3.17Å; T158-F162 PolarHBondContact O-N 3.37Å; C159-F162 PolarHBondContact O-N 3.48Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 2.87Å; F162-T165 PolarHBondContact O-N 3.38Å; F162-L166 HydrophobicContact CE1-CD2 4.2Å; F162-L166 WeakPolarHBondContact O-CB 3.48Å; F162-L166 PolarHBondContact O-N 3.44Å
163L79.6Confident80.7Confident103 Ų10366 Ų6654%0.53934%0.343SS..Hα-helixtrans-63.2-38.5179.2-71.3171.1000112.2C159 T161 L166 E167C159-L163 WeakPolarHBondContact O-CB 3.32Å; C159-L163 VanDerWaalsContact O-CG 3.31Å; C159-L163 WeakPolarHBondContact O-CG 3.19Å; C159-L163 PolarHBondContact O-N 2.83Å; T161-L163 PolarHBondContact O-N 3.31Å; L163-L166 PolarHBondContact O-N 3.47Å; L163-E167 PolarHBondContact O-N 3.01Å
164K87.8Confident80.2Confident131 Ų13166.8 Ų66.857%0.5734%0.344SS*.Hα-helixtrans-65.3-45.8175-174.6176.2-178.3-830111.9N160 T161 F162 L166 E167 E168N160-K164 WeakPolarHBondContact O-CB 3.13Å; N160-K164 PolarHBondContact O-N 3Å; T161-K164 PolarHBondContact O-N 3.46Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 2.87Å; K164-L166 VanDerWaalsContact C-N 3.26Å; K164-L166 PolarHBondContact O-N 3.37Å; K164-E167 PolarHBondContact O-N 3.14Å; K164-E168 IonicContact NZ-OE1 2.65Å; K164-E168 PolarHBondContact NZ-OE1 2.98Å; K164-E168 WeakPolarHBondContact O-CG 3.45Å; K164-E168 PolarHBondContact O-N 3.09Å
165T79.1Confident79.8Confident5 Ų565.6 Ų65.63%0.03135%0.345CS..Hα-helixtrans-65.6-30.2177-55.90000111.9K116 E119 L120 Y123 T161 F162 E168 C169K116-T165 HydrophobicContact CB-CG2 4.4Å; K116-T165 HydrophobicContact CD-CG2 3.76Å; E119-T165 HydrophobicContact CB-CG2 3.91Å; E119-T165 WeakPolarHBondContact OE2-CG2 3.43Å; L120-T165 HydrophobicContact CD2-CG2 4.01Å; L120-T165 HydrophobicContact CG-CG2 3.84Å; Y123-T165 HydrophobicContact CE2-CG2 4.44Å; Y123-T165 WeakPolarHBondContact CE2-OG1 3.49Å; T161-T165 PolarHBondContact O-N 3.41Å; T161-T165 PolarHBondContact O-OG1 3.44Å; F162-T165 PolarHBondContact O-N 3.38Å; T165-E168 PolarHBondContact O-N 3.49Å; T165-C169 WeakPolarHBondContact O-CB 3.44Å; T165-C169 PolarHBondContact O-N 3.28Å
166L76.3Confident79Confident66 Ų6664.2 Ų64.235%0.34634%0.339SS..Hα-helixtrans-69.9-42.7175.4-177.660.8000111.8L120 F162 L163 K164 C169 M170L120-L166 HydrophobicContact CD1-CD1 4.02Å; L120-L166 HydrophobicContact CD2-CB 4.01Å; F162-L166 HydrophobicContact CE1-CD2 4.2Å; F162-L166 WeakPolarHBondContact O-CB 3.48Å; F162-L166 PolarHBondContact O-N 3.44Å; L163-L166 PolarHBondContact O-N 3.47Å; K164-L166 VanDerWaalsContact C-N 3.26Å; K164-L166 PolarHBondContact O-N 3.37Å; L166-C169 WeakPolarHBondContact O-CB 3.39Å; L166-C169 PolarHBondContact O-N 3.48Å; L166-M170 WeakPolarHBondContact O-CG 3.39Å; L166-M170 PolarHBondContact O-N 2.97Å
167E79.1Confident77.9Confident97 Ų9763.3 Ų63.345%0.45334%0.336SS..Hα-helixtrans-62.5-43.1172.1-178.660-144.300111.2L163 K164 C169 M170 Q171L163-E167 PolarHBondContact O-N 3.01Å; K164-E167 PolarHBondContact O-N 3.14Å; E167-C169 PolarHBondContact O-N 3.15Å; E167-M170 PolarHBondContact O-N 3.17Å; E167-Q171 WeakPolarHBondContact O-CG 3.49Å; E167-Q171 PolarHBondContact O-N 2.87Å; E167-Q171 PolarHBondContact OE1-NE2 3.5Å
168E81.3Confident76.3Confident49 Ų4962.9 Ų62.923%0.22933%0.33CS..Hα-helixtrans-58.1-45.2172.6-72.9170.8-168.600111.9K116 K164 T165 M170 Q171 I172K116-E168 HydrophobicContact CD-CB 4.44Å; K116-E168 WeakPolarHBondContact CE-OE2 3.35Å; K116-E168 IonicContact NZ-OE2 3.24Å; K116-E168 PolarHBondContact NZ-OE2 2.86Å; K164-E168 IonicContact NZ-OE1 2.65Å; K164-E168 PolarHBondContact NZ-OE1 2.98Å; K164-E168 WeakPolarHBondContact O-CG 3.45Å; K164-E168 PolarHBondContact O-N 3.09Å; T165-E168 PolarHBondContact O-N 3.49Å; E168-M170 PolarHBondContact O-N 3.37Å; E168-Q171 PolarHBondContact O-N 2.88Å; E168-I172 VanDerWaalsContact O-CG1 3.29Å; E168-I172 WeakPolarHBondContact O-CG1 3.45Å; E168-I172 PolarHBondContact O-N 3.48Å
169C74.3Confident74.5Confident4 Ų465.8 Ų65.83%0.02735%0.351CS..Hα-helixtrans-57.4-46.4172.5-90.70000112.7L113 K116 L120 T165 L166 E167 I172 A173L113-C169 HydrophobicContact CD1-CB 4.07Å; K116-C169 WeakPolarHBondContact CB-SG 3.34Å; L120-C169 HydrophobicContact CD1-CB 4.22Å; L120-C169 VanDerWaalsContact CD1-SG 3.59Å; T165-C169 WeakPolarHBondContact O-CB 3.44Å; T165-C169 PolarHBondContact O-N 3.28Å; L166-C169 WeakPolarHBondContact O-CB 3.39Å; L166-C169 PolarHBondContact O-N 3.48Å; E167-C169 PolarHBondContact O-N 3.15Å; C169-I172 PolarHBondContact O-N 3Å; C169-A173 WeakPolarHBondContact O-CB 3.43Å; C169-A173 PolarHBondContact O-N 2.88Å
170M72.9Confident72.7Confident101 Ų10169.2 Ų69.250%0.49836%0.363SS..Hα-helixtrans-65.4-38.2179.6-75.1-179.55800111.9L166 E167 E168 N174L166-M170 WeakPolarHBondContact O-CG 3.39Å; L166-M170 PolarHBondContact O-N 2.97Å; E167-M170 PolarHBondContact O-N 3.17Å; E168-M170 PolarHBondContact O-N 3.37Å; M170-N174 VanDerWaalsContact O-CB 3.27Å; M170-N174 WeakPolarHBondContact O-CB 3.38Å; M170-N174 PolarHBondContact O-N 2.94Å; M170-N174 PolarHBondContact O-ND2 2.98Å
171Q80.2Confident70.5Confident112 Ų11271.2 Ų71.252%0.52337%0.372SS..Hα-helixtrans-67.2-44.1176.3-70.5177.216.600112.2E167 E168 N174 A175E167-Q171 WeakPolarHBondContact O-CG 3.49Å; E167-Q171 PolarHBondContact O-N 2.87Å; E167-Q171 PolarHBondContact OE1-NE2 3.5Å; E168-Q171 PolarHBondContact O-N 2.88Å; Q171-N174 PolarHBondContact O-N 3.49Å; Q171-A175 WeakPolarHBondContact O-CB 3.38Å; Q171-A175 PolarHBondContact O-N 2.7Å
172I76.6Confident68.1Low34 Ų3474.4 Ų74.417%0.17439%0.387CS..Hα-helixtrans-63-45.3176.1-64.6163.3000110.8N109 N112 L113 K116 E168 C169 A175 A176N109-I172 HydrophobicContact CB-CG2 4.27Å; N109-I172 WeakPolarHBondContact O-CG2 3.36Å; N112-I172 HydrophobicContact CB-CD1 4.43Å; L113-I172 HydrophobicContact CB-CG2 3.97Å; K116-I172 HydrophobicContact CG-CD1 4.2Å; E168-I172 VanDerWaalsContact O-CG1 3.29Å; E168-I172 WeakPolarHBondContact O-CG1 3.45Å; E168-I172 PolarHBondContact O-N 3.48Å; C169-I172 PolarHBondContact O-N 3Å; I172-A175 PolarHBondContact O-N 3.06Å; I172-A176 WeakPolarHBondContact O-CB 3.31Å; I172-A176 PolarHBondContact O-N 2.92Å
173A69.1Low65.8Low22 Ų2280.7 Ų80.718%0.18241%0.41CS..Hα-helixtrans-61.5-46.7176.900000111.8L113 C169 A175 A176 F177L113-A173 HydrophobicContact CD2-CB 4.33Å; C169-A173 WeakPolarHBondContact O-CB 3.43Å; C169-A173 PolarHBondContact O-N 2.88Å; A173-A175 VanDerWaalsContact C-N 3.35Å; A173-A175 PolarHBondContact O-N 3.39Å; A173-A176 PolarHBondContact O-N 2.92Å; A173-F177 HydrophobicContact CB-CD2 4.23Å; A173-F177 HydrophobicContact CB-CE2 4.17Å; A173-F177 WeakPolarHBondContact O-CD2 3.26Å; A173-F177 PolarHBondContact O-N 3.31Å
174N68.8Low63.7Low95 Ų9583.6 Ų83.651%0.50841%0.414SS..Hα-helixtrans-62.1-41176.7-75.5-33.7000111.8M170 Q171 T178M170-N174 VanDerWaalsContact O-CB 3.27Å; M170-N174 WeakPolarHBondContact O-CB 3.38Å; M170-N174 PolarHBondContact O-N 2.94Å; M170-N174 PolarHBondContact O-ND2 2.98Å; Q171-N174 PolarHBondContact O-N 3.49Å; N174-T178 WeakPolarHBondContact O-CB 3.44Å; N174-T178 PolarHBondContact O-N 3.36Å; N174-T178 PolarHBondContact O-OG1 3.24Å
175A73.2Confident61Low49 Ų4983.2 Ų83.241%0.40542%0.423SS..Hα-helixtrans-62.6-44.2176.900000112.1Q171 I172 A173 S179Q171-A175 WeakPolarHBondContact O-CB 3.38Å; Q171-A175 PolarHBondContact O-N 2.7Å; I172-A175 PolarHBondContact O-N 3.06Å; A173-A175 VanDerWaalsContact C-N 3.35Å; A173-A175 PolarHBondContact O-N 3.39Å; A175-S179 WeakPolarHBondContact O-CB 3.46Å; A175-S179 PolarHBondContact O-OG 2.84Å
176A67.6Low58.9Low14 Ų1487.8 Ų87.812%0.11645%0.453CS..Hα-helixtrans-65.5-50.8177.800000112.4I172 A173I172-A176 WeakPolarHBondContact O-CB 3.31Å; I172-A176 PolarHBondContact O-N 2.92Å; A173-A176 PolarHBondContact O-N 2.92Å
177F58.6Low57.2Low124 Ų12491 Ų9154%0.54448%0.478SS..Hα-helixtrans-83.9-26.8-171.9-59.5-55.7000114.5A173A173-F177 HydrophobicContact CB-CD2 4.23Å; A173-F177 HydrophobicContact CB-CE2 4.17Å; A173-F177 WeakPolarHBondContact O-CD2 3.26Å; A173-F177 PolarHBondContact O-N 3.31Å
178T52.2Low55.3Low59 Ų5989.5 Ų89.536%0.36249%0.488SS..Hα-helixtrans-78-29.6177.9-44.40000112.2N174 E180 L181 L182N174-T178 WeakPolarHBondContact O-CB 3.44Å; N174-T178 PolarHBondContact O-N 3.36Å; N174-T178 PolarHBondContact O-OG1 3.24Å; T178-E180 VanDerWaalsContact C-N 3.28Å; T178-E180 PolarHBondContact O-N 2.97Å; T178-L181 PolarHBondContact O-N 3.46Å; T178-L181 VanDerWaalsContact O-N 3.13Å; T178-L182 HydrophobicContact CG2-CD1 3.85Å; T178-L182 HydrophobicContact CG2-CG 4.19Å; T178-L182 PolarHBondContact O-N 3.43Å
179S48.2Very low53Low72 Ų7292.4 Ų92.450%0.50351%0.514SS..Hα-helixtrans-64.3-31.3178.8-63.50000113.2A175 L181A175-S179 WeakPolarHBondContact O-CB 3.46Å; A175-S179 PolarHBondContact O-OG 2.84Å; S179-L181 VanDerWaalsContact C-N 3.34Å
180E43.5Very low50.9Low118 Ų11898 Ų9855%0.55155%0.551SS**Hα-helixtrans-66.5-35174.1-166.667.7-133.800112T178T178-E180 VanDerWaalsContact C-N 3.28Å; T178-E180 PolarHBondContact O-N 2.97Å
181L38.9Very low48.8Very low138 Ų138102.3 Ų102.372%0.72357%0.569SS**Hα-helixtrans-82.5-30.9-172.4-65.3172.9000113.8T178 S179T178-L181 PolarHBondContact O-N 3.46Å; T178-L181 VanDerWaalsContact O-N 3.13Å; S179-L181 VanDerWaalsContact C-N 3.34Å
182L37.3Very low46.3Very low119 Ų119104.9 Ų104.962%0.62359%0.586SS**Hα-helixtrans-89.3-13.7-170.1-67.9177.2000115.5T178T178-L182 HydrophobicContact CG2-CD1 3.85Å; T178-L182 HydrophobicContact CG2-CG 4.19Å; T178-L182 PolarHBondContact O-N 3.43Å
183Y38.6Very low44.2Very low182 Ų182107.7 Ų107.771%0.71461%0.614SS**SBendtrans-122.544.8-172.3-71.5-74.7000114.4
184R35.3Very low42.1Very low164 Ų164114.3 Ų114.362%0.61964%0.643SS**  trans-119.925.5174.7-79.4-69.3-167162.81.7114.2R398R184-R398 PolarHBondContact O-NH1 3.07Å
185T31.1Very low40.3Very low124 Ų124117.9 Ų117.976%0.76166%0.661SS**SBendtrans-120132.3179.2-33.90000111
186P33.8Very low38.2Very low101 Ų101124 Ų12466%0.65668%0.679SS**  trans-66.6152.7173.2-19.632.7000112.4G188P186-G188 PolarHBondContact O-N 3.21Å
187P40.6Very low36.4Very low132 Ų132129.4 Ų129.486%0.85772%0.716SS**SBendtrans-71.7100.2172.729.7-33000110
188G39.6Very low35Very low66 Ų66128.8 Ų128.868%0.6873%0.727SS**  trans-165.733.5-170.100000115.9P186P186-G188 PolarHBondContact O-N 3.21Å
189S32.5Very low34Very low111 Ų111135.4 Ų135.478%0.77675%0.751SS**SBendtrans-157148.2168.8-76.40000110.5
190P31.4Very low33Very low122 Ų122140.3 Ų140.379%0.79277%0.768SS**  trans-69.3144.9-179.328.7-34.6000112L192P190-L192 PolarHBondContact O-N 3.14Å
191Q28Very low32.3Very low190 Ų190144.6 Ų144.689%0.88879%0.785SS**  trans-68.7110.3174.6-72.7-75.9-16.600110.2A193Q191-A193 PolarHBondContact O-N 2.76Å
192L27.9Very low31.8Very low166 Ų166146.3 Ų146.387%0.86979%0.789SS**  trans-67.7126.3167.5-106.2140.8000109.3P190 M194P190-L192 PolarHBondContact O-N 3.14Å; L192-M194 PolarHBondContact O-N 2.88Å; L192-M194 VanDerWaalsContact O-N 3.15Å
193A31.6Very low31.4Very low93 Ų93146 Ų14677%0.76979%0.794SS**  trans-65115-173.300000111.7Q191 L195Q191-A193 PolarHBondContact O-N 2.76Å; A193-L195 PolarHBondContact O-N 2.76Å
194M26.2Very low30.8Very low161 Ų161145.1 Ų145.179%0.79380%0.799SS**  trans-71.296.6-179.3-170.1-175.575.700111.2L192 K196L192-M194 PolarHBondContact O-N 2.88Å; L192-M194 VanDerWaalsContact O-N 3.15Å; M194-K196 PolarHBondContact O-N 2.65Å; M194-K196 VanDerWaalsContact O-N 3.14Å
195L30.1Very low30.5Very low170 Ų170144.5 Ų144.589%0.8981%0.807SS**  trans-60.4113171.6-80.9165.6000110.3A193 S197A193-L195 PolarHBondContact O-N 2.76Å; L195-S197 PolarHBondContact O-N 3.06Å
196K30.1Very low30.4Very low178 Ų178143.7 Ų143.777%0.77480%0.804SS**  trans-71.5120.5174.9-70.8-177.3177.7178.40110M194 S198M194-K196 PolarHBondContact O-N 2.65Å; M194-K196 VanDerWaalsContact O-N 3.14Å; K196-S198 PolarHBondContact O-N 3.19Å
197S28.2Very low29.9Very low127 Ų127145.3 Ų145.389%0.88881%0.806SS**  trans-69.1120.1168.61800000110.7L195L195-S197 PolarHBondContact O-N 3.06Å
198S30Very low29.2Very low111 Ų111146.4 Ų146.478%0.77680%0.799SS**  trans-125.294.5175.462.30000111.6K196K196-S198 PolarHBondContact O-N 3.19Å
199K30.8Very low28.4Very low199 Ų199149.8 Ų149.887%0.86580%0.802SS**  trans-2.8133166.5-61.4179178.7-179.70118.6
200M27.5Very low27.9Very low175 Ų175149.5 Ų149.586%0.86280%0.8SS**  trans-50149.5169.8-64.8168.6164.800114.6
201K28.4Very low27.7Very low208 Ų208150.3 Ų150.390%0.90480%0.796SS**  trans-134.6148.7146.7-74.3-169.7175.9-177.30109
202H28Very low27.6Very low174 Ų174147.3 Ų147.381%0.80678%0.782SS**  trans-80.3157.9-172.9-77.7-77.7000113.6
203P28.8Very low27.5Very low112 Ų112148.8 Ų148.873%0.72778%0.776SS**  trans-86.9156.9-171.935.2-36.9000114.1
204I27.6Very low27.2Very low163 Ų163152 Ų15284%0.83678%0.776SS**  trans-136.6135.9163.1-61.2-179.6000107.7
205I27.9Very low27.1Very low151 Ų151152.4 Ų152.477%0.77478%0.777SS**  trans-115.9123.4178.7-66.4167.5000108.2
206P28.6Very low26.8Very low107 Ų107152.9 Ų152.970%0.69578%0.775SS**  -148.3167.2117.730.3-10.9000113.8
207I23.8Very low26.6Very low136 Ų136152.3 Ų152.370%0.69778%0.78SS**  cis-170.7160.3-27-109.3160.7000107.4
208H25.3Very low26.4Very low154 Ų154152.1 Ų152.171%0.71378%0.779SS**  trans79.9125.1162.3-87-48000123.8
209N22.8Very low26Very low138 Ų138152.7 Ų152.774%0.73878%0.777SS**  trans52.2144.3135.8-58.412.1000120.5
210S23.7Very low25.6Very low105 Ų105148.8 Ų148.873%0.73477%0.774SS**  cis-159.1-170.935-157.70000114.3
211L25.7Very low25.6Very low138 Ų138149.1 Ų149.172%0.72377%0.773SS**  trans-43.9163.7165.6-86.260.2000114.3
212E26.3Very low25.6Very low128 Ų128146.9 Ų146.960%0.59877%0.771SS**  cis-162-174.426.6-138.1162.714900114.9
213R26.4Very low25.4Very low196 Ų196142.5 Ų142.574%0.7477%0.773SS**  trans-3.1155.7159.4-73.3169.7-124-114.10.8120
214Q26.1Very low25.2Very low162 Ų162142.2 Ų142.276%0.75777%0.774SS**  cis-161.2147.925.5-135.1151.7-5700108.1
215M23.3Very low25.1Very low168 Ų168142.6 Ų142.683%0.82878%0.777SS**  43.4124.879.9-104.7170.418000113.8
216E24.1Very low25.1Very low180 Ų180141.2 Ų141.284%0.84177%0.771SS**  cis-145.6-179.426.8-76172.8149.300114.6
217L26Very low25Very low167 Ų167145.5 Ų145.587%0.87478%0.784SS**  trans-100.1151.1167.4-81.776.3000111.5
218S23.4Very low25.1Very low123 Ų123145.8 Ų145.886%0.8678%0.782SS**  trans-157.7159.3149.559.50000111.7
219T21.5Very low25.2Very low123 Ų123145.1 Ų145.176%0.75578%0.783SS**  trans-138.5157.8-164.4-25.70000112.4
220C23.4Very low25.3Very low116 Ų116145.2 Ų145.278%0.78478%0.783SS**  trans70.8168.7169.2-46.90000114.7
221E26.1Very low25.4Very low182 Ų182143 Ų14385%0.8578%0.777SS**  cis-136.6-171.813.5-90.2-162.1115.500113.9
222N28.2Very low25.5Very low162 Ų162145.4 Ų145.487%0.86678%0.784SS**  trans-73.4165.5-173.8-59.4-64.1000116
223G24.2Very low25.4Very low82 Ų82149.2 Ų149.285%0.84580%0.802SS**  trans-151.1134.6160.700000111.3
224S24.8Very low25.4Very low106 Ų106148.3 Ų148.374%0.74181%0.806SS**  trans-121.1159.5-175.1179.20000111.6
225L26.6Very low25.3Very low171 Ų171147.1 Ų147.190%0.89580%0.804SS**  trans-161.6133.3143.2-109.3170.9000111.7
226N26.7Very low25.3Very low121 Ų121146.5 Ų146.565%0.64780%0.803SS**  trans-90.4163.8172.9-69.2-6.8000111.2
227M26.5Very low25.3Very low198 Ų198144.1 Ų144.198%0.97579%0.793SS**  trans-143155135-150.9155.810100110.4
228E25.8Very low25.2Very low142 Ų142143.8 Ų143.866%0.66479%0.785SS**  trans-143-177.8-143.6-157.7173.8-102.500112.1
229I28.3Very low25.1Very low140 Ų140144 Ų14472%0.71878%0.776SS**  trans72.3133.3167.8-62.9164.5000115.5
230N24.9Very low25.3Very low140 Ų140146.1 Ų146.175%0.74978%0.775SS**  cis-160.9175-18.3-105.16.6000106.3
231G25.5Very low25.2Very low59 Ų59147.9 Ų147.961%0.60878%0.777SS**  cis-168.9144.3-300000106.9
232E27.3Very low25Very low187 Ų187144.5 Ų144.587%0.87477%0.773SS**  61.5108.885.1-69-16416200115.6
233E25.5Very low24.7Very low209 Ų209143.3 Ų143.398%0.97777%0.766SS**  -155.3165.5128.1-132.2174.8-161.400110.4
234E25Very low24.7Very low176 Ų176148.1 Ų148.182%0.82276%0.76SS**  trans-131-165.8-159.8-160.8-159.7179.700111.7
235I24.5Very low24.6Very low138 Ų138150.4 Ų150.471%0.70876%0.763SS**  trans83.888.5158.9-51177.4000118.8
236L23.2Very low24.4Very low154 Ų154149.2 Ų149.281%0.80675%0.751SS**  55.8138.5107.7-173.668.4000123.2
237M24.3Very low24.2Very low130 Ų130148.9 Ų148.964%0.6476%0.758SS**  trans93115.9151.4-83.8-114.2-69.200124.2
238K24.2Very low24.1Very low161 Ų161142.8 Ų142.870%0.774%0.739SS**  trans68.4130131.8-85-175-169.7142.10124.7
239N21.8Very low24Very low126 Ų126144 Ų14467%0.67475%0.745SS**  100.7129.6125.5-95.8-17.6000123.4
240K24.4Very low23.8Very low169 Ų169145.4 Ų145.474%0.73575%0.752SS**  trans71.7109.6137.4-72.1179.6177.6-175.10122.9
241N22.6Very low23.7Very low153 Ų153146.2 Ų146.282%0.81876%0.756SS**  39.2120.2116.9-57.518.3000122.1
242S21.3Very low23.5Very low110 Ų110149.4 Ų149.477%0.76977%0.768SS**  -161.5141.3128.6-152.60000107
243L22.4Very low23.3Very low138 Ų138145.6 Ų145.672%0.72376%0.762SS**  cis63.2133.739-51.4-179.5000111.6
244Y22.4Very low23.2Very low183 Ų183144.1 Ų144.172%0.71876%0.759SS**  cis-146.7178.48-131.6-145.7000106
245L23.7Very low23.2Very low154 Ų154140.6 Ų140.681%0.80675%0.754SS**  cis-144.8165.325.4-72.686.2000107.7
246K21.9Very low23.3Very low146 Ų146139 Ų13964%0.63576%0.755SS**  cis84.797.514-154.1-172.3-178.8-170.10119.5
247S22Very low23.4Very low113 Ų113139.8 Ų139.879%0.7975%0.754SS**  trans-141.3137.3141.4-48.20000105.6
248A24.3Very low23.5Very low71 Ų71141.6 Ų141.659%0.58776%0.761SS**  cis66.5128.631.100000112.8
249E24.6Very low23.6Very low168 Ų168139.5 Ų139.579%0.78576%0.758SS**  cis-164.4167.9-5.9-126.7154.5-126.700107.7
250I24.2Very low23.7Very low168 Ų168139 Ų13986%0.86276%0.759SS**  trans172.4123.1148.8-93.1153.9000109.3
251D21.7Very low23.8Very low157 Ų157137.8 Ų137.884%0.8476%0.761SS**  trans-91.9155.3164.8-81.8-55000110.7
252C22Very low24Very low126 Ų126137.6 Ų137.685%0.85176%0.76SS**  trans-156.2129.7142-147.80000111.2
253S23Very low24.2Very low108 Ų108138.4 Ų138.476%0.75576%0.756SS**  trans-113.8148.9167.9-64.70000109.5
254I23.5Very low24.3Very low177 Ų177139.2 Ų139.291%0.90876%0.759SS**  trans-160.3155.4154.9-114.4161.7000110.1
255S25Very low24.3Very low103 Ų103135.9 Ų135.972%0.7276%0.758SS**  trans-138.1149.7-168.252.50000112.2
256S26.2Very low24.3Very low105 Ų105133.8 Ų133.873%0.73475%0.751SS**  trans-170.5114.8161.252.50000107.1
257E26Very low24.3Very low169 Ų169135.6 Ų135.679%0.7976%0.762SS**  92121.259.4-79.5174.9174.300113.3
258E26.4Very low24.5Very low168 Ų168133.4 Ų133.479%0.78576%0.758SS**  trans59.5162.2140.6-60.7-154.1150.900120.5
259N25.8Very low24.5Very low117 Ų117138.2 Ų138.263%0.62677%0.768SS**  cis-158.1178.3-20.2-109.1-26.6000106.9
260T25Very low24.6Very low116 Ų116136.1 Ų136.171%0.71276%0.761SS**  cis-155.8-171.212.6-12.50000109.3
261D26.7Very low24.6Very low143 Ų143138.2 Ų138.277%0.76576%0.758SS**  trans-59170.3162.3-46.5-95.5000113.3
262D25.6Very low24.9Very low149 Ų149137.5 Ų137.580%0.79775%0.747SS**  -170-169.675.8-146.4-26.5000114.3
263N25.1Very low25.2Very low127 Ų127138 Ų13868%0.67974%0.737SS**  trans-103.5173.2-160.5-69.6-95.7000116.7
264I25.1Very low25.4Very low155 Ų155140 Ų14080%0.79574%0.739SS**  99.7134.8129.9-117.9164.2000121.3
265T22.6Very low25.6Very low113 Ų113134.9 Ų134.969%0.69373%0.731SS**  trans91.6102.8139.8-76.60000123.9
266V24Very low25.8Very low111 Ų111137.6 Ų137.667%0.67373%0.734SS**  106.9122.7113.5156.60000125.1
267Q22.5Very low25.8Very low183 Ų183140.7 Ų140.786%0.85574%0.736SS**  trans62.6151142-70.7176.8-36.800126.4
268G25.6Very low25.8Very low68 Ų68140.1 Ų140.170%0.70174%0.739SS**  trans136.773.5171.800000112
269E25.2Very low25.8Very low172 Ų172140.4 Ų140.480%0.80475%0.745SS**  55.5135.293.1-65.8-153.8141.100114.8
270I25.9Very low25.9Very low124 Ų124143.1 Ų143.164%0.63675%0.751SS**  cis-163.5146.36.3-114.7166.9000106
271R24.8Very low26.1Very low212 Ų212143.6 Ų143.680%0.875%0.749SS**  171.4140.880.5-149.9153.5-161.1-171.34.4113.4
272K27.8Very low26.1Very low141 Ų141144.4 Ų144.461%0.61375%0.748SS**  trans52.8117145.4-72.3-171.7165.6-73.80121.3
273E27.2Very low26.3Very low137 Ų137142.9 Ų142.964%0.6474%0.74SS**  91145.287.1-77.9162.6-162.500113.5
274D27.3Very low26.5Very low150 Ų150142.9 Ų142.980%0.80274%0.74SS**  cis-155.8161.46-132.5-28.4000114.5
275G27Very low26.7Very low70 Ų70143 Ų14372%0.72274%0.743SS**  trans76.6149.9159.900000120
276M29.6Very low26.8Very low159 Ų159145.7 Ų145.778%0.78375%0.752SS**  cis-157.5135.5-14.3-169.5166.3-17900112
277E27.5Very low27Very low170 Ų170145.9 Ų145.979%0.79475%0.753SS**  trans48.2140.8157.4-69.4176.5-169.200123.7
278N25.8Very low27.4Very low158 Ų158145.9 Ų145.985%0.84575%0.753SS**  trans-156.2131.1175.5-148.2-36.5000107.9
279L26.6Very low27.3Very low173 Ų173148.5 Ų148.591%0.90676%0.761SS**  trans-131.294.4-178.5-145.977.1000114.4
280K27.3Very low27.3Very low174 Ų174143 Ų14376%0.75775%0.75SS**  trans-23.1156.8142.3-79179.8177.8-177.60115.7
281N28Very low27.5Very low127 Ų127142.3 Ų142.368%0.67976%0.756SS**  cis-146.3151.517.7-92.2-35.3000109.1
282H28.4Very low27.6Very low159 Ų159139.5 Ų139.574%0.73676%0.757SS**  61.7108.678.5-97.9-53.8000117.4
283D29.1Very low27.8Very low118 Ų118137.5 Ų137.563%0.63176%0.761SS**  92.7125.1126.3-82.434.2000126.8
284N29.4Very low27.8Very low126 Ų126136.1 Ų136.167%0.67477%0.766SS**  trans81.196.1134.5-61.4-28.9000123.9
285N28.2Very low27.5Very low159 Ų159135.2 Ų135.285%0.8577%0.77SS**  33.6128.1122.5-70.3-31.4000121.9
286L26.3Very low27.7Very low169 Ų169137.1 Ų137.189%0.88577%0.773SS**  trans-149153.4137.6-162.255.8000113.1
287T27.4Very low28.4Very low114 Ų114135.5 Ų135.570%0.69977%0.774SS**  trans-70.6174179.544.50000115.2
288Q30Very low28.3Very low183 Ų183136.2 Ų136.286%0.85578%0.777SS**  cis170.3124.7-25.8178.8-17524.100107.8
289S24.8Very low28.6Very low123 Ų123134.4 Ų134.486%0.8678%0.776SS**  trans177.1141.1165.5-176.20000109.4
290G25.4Very low28.6Very low56 Ų56133.9 Ų133.958%0.57777%0.773SS**  cis164149.4-6.600000111.2
291S29.1Very low28.7Very low110 Ų110136.9 Ų136.977%0.76978%0.78SS**  trans56.2142.7166.353.70000119.6
292D27.3Very low28.9Very low154 Ų154139.9 Ų139.982%0.82479%0.789SS**  cis-165.8168.6-4.5-115-33.1000113.4
293S31.5Very low29.3Very low98 Ų98141.1 Ų141.169%0.68580%0.796SS**  trans75.4109.2147.6-161.70000123.5
294S26.8Very low29.7Very low108 Ų108138.9 Ų138.976%0.75580%0.801SS**  98.3139.9121.466.60000124.7
295C22.8Very low30.3Very low131 Ų131142.2 Ų142.289%0.88581%0.809SS**  trans72.6109.8159.6-95.90000121.8
296S30.8Very low30.9Very low111 Ų111142.8 Ų142.878%0.77681%0.807SS**  trans-86.4177.1154.4-44.40000110.1
297P43Very low32.1Very low124 Ų124140.2 Ų140.281%0.80580%0.797SS**  cis-130.9146.23.138.9-22.3000115.6
298E26.8Very low33.2Very low186 Ų186140.5 Ų140.587%0.86979%0.794SS**  trans-143.1150160.7-132.6166.5-160.100110L300E298-L300 PolarHBondContact O-N 2.97Å
299C31.5Very low34.2Very low120 Ų120136.9 Ų136.981%0.81179%0.786SS**  trans-76.592-164.5-650000112.3W301C299-W301 PolarHBondContact O-N 3.36Å
300L27.4Very low36Very low162 Ų162134.3 Ų134.385%0.84877%0.765SS**PPolyproline II helixtrans-72.8118150-86.878.4000108E298 E302E298-L300 PolarHBondContact O-N 2.97Å; L300-E302 PolarHBondContact O-N 3.26Å
301W29.4Very low37.7Very low237 Ų237133.9 Ų133.990%0.89875%0.747SS**PPolyproline II helixtrans-47.6121.1164.6-47.480.2000108.5C299 E303C299-W301 PolarHBondContact O-N 3.36Å; W301-E303 PolarHBondContact O-N 2.9Å
302E32.4Very low39.2Very low189 Ų189133.3 Ų133.388%0.88373%0.731SS**PPolyproline II helixtrans-59.3116.6159.9-75.6-165.1135.800106.1L300 G304L300-E302 PolarHBondContact O-N 3.26Å; E302-G304 VanDerWaalsContact C-N 3.34Å; E302-G304 PolarHBondContact O-N 3.34Å
303E35.7Very low40.9Very low186 Ų186129.3 Ų129.387%0.86972%0.715SS**  trans-56.2104.6171-70-174.1140.400106.7W301 K305W301-E303 PolarHBondContact O-N 2.9Å; E303-K305 PolarHBondContact O-N 3.25Å
304G38.5Very low42.2Very low71 Ų71128.6 Ų128.673%0.73271%0.707SS**  trans-57.8107.3-175.900000107.5E302 E306E302-G304 VanDerWaalsContact C-N 3.34Å; E302-G304 PolarHBondContact O-N 3.34Å; G304-E306 PolarHBondContact O-N 3.25Å
305K42.1Very low44Very low195 Ų195125 Ų12585%0.84868%0.678SS**  trans-45.2111.5177.1-103.8-179.8177.6169.30106.7E303 V307E303-K305 PolarHBondContact O-N 3.25Å; K305-V307 VanDerWaalsContact C-N 3.3Å; K305-V307 WeakPolarHBondContact O-CG2 3.38Å; K305-V307 PolarHBondContact O-N 3.4Å
306E39.8Very low46Very low172 Ų172126.4 Ų126.480%0.80468%0.677SS**  trans-65.1100.2-178.9-168.8173.4-137.700105.9G304 I308G304-E306 PolarHBondContact O-N 3.25Å; E306-I308 PolarHBondContact O-N 3.17Å
307V51.6Low47.8Very low114 Ų114123.5 Ų123.569%0.69166%0.655SS**  trans-76.176179.8-177.80000105.9K305 P309K305-V307 VanDerWaalsContact C-N 3.3Å; K305-V307 WeakPolarHBondContact O-CG2 3.38Å; K305-V307 PolarHBondContact O-N 3.4Å; V307-P309 WeakPolarHBondContact O-CD 3.43Å
308I49.5Very low49.6Very low121 Ų121119.2 Ų119.262%0.62163%0.628SS**  trans-44.2112.2176.8-63.6172.6000106.3E306 T310E306-I308 PolarHBondContact O-N 3.17Å; I308-T310 WeakPolarHBondContact O-CG2 3.31Å; I308-T310 PolarHBondContact O-N 3.25Å
309P51.1Low52.4Low106 Ų106114.1 Ų114.169%0.68860%0.603SS**  trans-6397-169.2-28.337.2000111.2V307V307-P309 WeakPolarHBondContact O-CD 3.43Å
310T63Low55Low69 Ų69113 Ų11342%0.42360%0.596SS.*  trans-67.7162.5175.672.30000109.7I308 F312 S313 T314I308-T310 WeakPolarHBondContact O-CG2 3.31Å; I308-T310 PolarHBondContact O-N 3.25Å; T310-F312 PolarHBondContact O-N 3.03Å; T310-F312 PolarHBondContact OG1-N 2.99Å; T310-S313 PolarHBondContact N-OG 2.97Å; T310-S313 PolarHBondContact O-N 2.96Å; T310-S313 PolarHBondContact O-OG 2.63Å; T310-S313 PolarHBondContact OG1-N 2.92Å; T310-S313 VanDerWaalsContact OG1-N 3.17Å; T310-S313 PolarHBondContact OG1-OG 2.89Å; T310-T314 PolarHBondContact O-N 3.46Å; T310-T314 PolarHBondContact O-OG1 3.47Å
311F61.1Low57.8Low47 Ų47110.2 Ų110.221%0.20658%0.582CS.*SBendtrans-54.6-40.2170-171.2-75.9000111.5S313 T314 M315 P344 V345 K348F311-S313 VanDerWaalsContact C-N 3.33Å; F311-S313 PolarHBondContact O-N 2.94Å; F311-T314 WeakPolarHBondContact CA-OG1 3.15Å; F311-T314 CarbonylContact O-C 3.58Å; F311-T314 PolarHBondContact O-N 3.31Å; F311-T314 PolarHBondContact O-OG1 3.26Å; F311-M315 HydrophobicContact CD1-CE 3.91Å; F311-M315 HydrophobicContact CD1-CG 4.21Å; F311-M315 HydrophobicContact CE1-CE 3.65Å; F311-M315 HydrophobicContact CE1-CG 3.77Å; F311-M315 PolarHBondContact O-N 2.96Å; F311-P344 HydrophobicContact CE2-CB 4.18Å; F311-P344 WeakPolarHBondContact CE2-O 3.31Å; F311-P344 HydrophobicContact CZ-CB 3.92Å; F311-V345 HydrophobicContact CD1-CB 4.19Å; F311-V345 HydrophobicContact CD1-CG1 4.18Å; F311-V345 HydrophobicContact CD1-CG2 3.48Å; F311-V345 VanDerWaalsContact CD1-CG2 3.48Å; F311-V345 HydrophobicContact CE1-CB 4Å; F311-V345 HydrophobicContact CE1-CG1 4.49Å; F311-V345 HydrophobicContact CE1-CG2 3.13Å; F311-V345 HydrophobicContact CG-CG1 4.43Å; F311-V345 HydrophobicContact CG-CG2 4.4Å; F311-V345 HydrophobicContact CZ-CB 4.25Å; F311-V345 HydrophobicContact CZ-CG2 3.75Å; F311-V345 VanDerWaalsContact CZ-N 3.32Å; F311-K348 HydrophobicContact CD2-CD 3.69Å; F311-K348 HydrophobicContact CE2-CD 3.74Å
312F60.9Low60.7Low99 Ų99100.3 Ų100.343%0.43455%0.547SS..G310 helixtrans-68.5-31.4-176-55.5-71.1000112.8T310 T314 M315 L419T310-F312 PolarHBondContact O-N 3.03Å; T310-F312 PolarHBondContact OG1-N 2.99Å; F312-T314 VanDerWaalsContact C-N 3.26Å; F312-T314 PolarHBondContact O-N 3.29Å; F312-M315 HydrophobicContact CD1-CE 3.82Å; F312-M315 HydrophobicContact CD1-SD 4.41Å; F312-M315 HydrophobicContact CE1-CE 4.1Å; F312-L419 HydrophobicContact CE1-CD1 3.74Å; F312-L419 HydrophobicContact CE1-CD2 4.4Å; F312-L419 HydrophobicContact CZ-CD1 3.93Å; F312-L419 HydrophobicContact CZ-CD2 3.76Å; F312-L419 HydrophobicContact CZ-CG 4.48Å
313S63.5Low63.4Low70 Ų7099.4 Ų99.449%0.4954%0.542SS..G310 helixtrans-82.94.7170.948.50000114.1T310 F311T310-S313 PolarHBondContact N-OG 2.97Å; T310-S313 PolarHBondContact O-N 2.96Å; T310-S313 PolarHBondContact O-OG 2.63Å; T310-S313 PolarHBondContact OG1-N 2.92Å; T310-S313 VanDerWaalsContact OG1-N 3.17Å; T310-S313 PolarHBondContact OG1-OG 2.89Å; F311-S313 VanDerWaalsContact C-N 3.33Å; F311-S313 PolarHBondContact O-N 2.94Å
314T58.3Low66.1Low83 Ų8395.3 Ų95.351%0.50953%0.526SS..G310 helixtrans-119.511.9171.442.50000112.7T310 F311 F312T310-T314 PolarHBondContact O-N 3.46Å; T310-T314 PolarHBondContact O-OG1 3.47Å; F311-T314 WeakPolarHBondContact CA-OG1 3.15Å; F311-T314 CarbonylContact O-C 3.58Å; F311-T314 PolarHBondContact O-N 3.31Å; F311-T314 PolarHBondContact O-OG1 3.26Å; F312-T314 VanDerWaalsContact C-N 3.26Å; F312-T314 PolarHBondContact O-N 3.29Å
315M64.2Low68.4Low32 Ų3296.1 Ų96.116%0.15851%0.513CS..  trans-75.1126163.1-71.4-176.8174.300109.9F311 F312 T317 A341 V342 V345F311-M315 HydrophobicContact CD1-CE 3.91Å; F311-M315 HydrophobicContact CD1-CG 4.21Å; F311-M315 HydrophobicContact CE1-CE 3.65Å; F311-M315 HydrophobicContact CE1-CG 3.77Å; F311-M315 PolarHBondContact O-N 2.96Å; F312-M315 HydrophobicContact CD1-CE 3.82Å; F312-M315 HydrophobicContact CD1-SD 4.41Å; F312-M315 HydrophobicContact CE1-CE 4.1Å; M315-T317 PolarHBondContact O-N 2.85Å; M315-T317 VanDerWaalsContact O-N 3.14Å; M315-A341 HydrophobicContact CB-CB 4.12Å; M315-A341 HydrophobicContact CG-CB 4.14Å; M315-A341 HydrophobicContact SD-CB 4.4Å; M315-V342 HydrophobicContact CE-CG2 4.16Å; M315-V345 HydrophobicContact CE-CG2 3.38Å
316N64.6Low70.5Confident161 Ų16195.5 Ų95.586%0.86151%0.513SS*.SBendtrans-66.3-13.6178.8-66-0.6000114.3
317T70.4Confident72.7Confident49 Ų4995.2 Ų95.230%0.30152%0.517SS..SBendtrans-151.7114.4175.539.60000109.3M315 A337 S338M315-T317 PolarHBondContact O-N 2.85Å; M315-T317 VanDerWaalsContact O-N 3.14Å; T317-A337 HydrophobicContact CG2-CB 4.18Å; T317-S338 PolarHBondContact O-OG 2.96Å; T317-S338 PolarHBondContact OG1-N 2.97Å
318S80.6Confident74.5Confident34 Ų3493.5 Ų93.524%0.23851%0.51CS..  trans-95.4152.4175174.40000111.4S320 D321 S338S318-S320 VanDerWaalsContact CB-OG 3.25Å; S318-S320 WeakPolarHBondContact CB-OG 3.31Å; S318-S320 PolarHBondContact O-N 3.32Å; S318-S320 VanDerWaalsContact O-N 3.13Å; S318-S320 PolarHBondContact OG-N 3.25Å; S318-S320 PolarHBondContact OG-OG 2.86Å; S318-D321 WeakPolarHBondContact CA-OD2 3.38Å; S318-D321 VanDerWaalsContact CB-OD2 3.26Å; S318-D321 WeakPolarHBondContact CB-OD2 3.36Å; S318-D321 PolarHBondContact N-OD2 3.07Å; S318-D321 WeakPolarHBondContact O-CB 3.1Å; S318-D321 PolarHBondContact O-N 3.33Å; S318-S338 PolarHBondContact O-OG 3.41Å
319F85.7Confident76.5Confident80 Ų8087.9 Ų87.935%0.35148%0.482SS..THydrogen-bonded Turntrans-63.4-13.2172.7-66.6-80000113.4D321 I322 F335 V342 L412F319-D321 VanDerWaalsContact C-N 3.3Å; F319-I322 HydrophobicContact CD1-CD1 3.92Å; F319-F335 HydrophobicContact CD1-CD2 4.42Å; F319-F335 HydrophobicContact CE1-CD2 4.09Å; F319-F335 HydrophobicContact CE1-CE2 4.02Å; F319-V342 HydrophobicContact CE2-CG2 4.06Å; F319-L412 HydrophobicContact CE2-CD2 4.28Å; F319-L412 HydrophobicContact CZ-CD1 4.44Å; F319-L412 HydrophobicContact CZ-CD2 3.74Å
320S85.6Confident78.6Confident96 Ų9685.3 Ų85.367%0.67146%0.462SS*.THydrogen-bonded Turntrans-71.2-23.7169.944.10000113.6S318S318-S320 VanDerWaalsContact CB-OG 3.25Å; S318-S320 WeakPolarHBondContact CB-OG 3.31Å; S318-S320 PolarHBondContact O-N 3.32Å; S318-S320 VanDerWaalsContact O-N 3.13Å; S318-S320 PolarHBondContact OG-N 3.25Å; S318-S320 PolarHBondContact OG-OG 2.86Å
321D86.6Confident80.1Confident104 Ų10483.2 Ų83.256%0.55645%0.45SS*.SBendtrans-98.31.7-166.6-34.9-26000111S318 F319 E323S318-D321 WeakPolarHBondContact CA-OD2 3.38Å; S318-D321 VanDerWaalsContact CB-OD2 3.26Å; S318-D321 WeakPolarHBondContact CB-OD2 3.36Å; S318-D321 PolarHBondContact N-OD2 3.07Å; S318-D321 WeakPolarHBondContact O-CB 3.1Å; S318-D321 PolarHBondContact O-N 3.33Å; F319-D321 VanDerWaalsContact C-N 3.3Å; D321-E323 PolarHBondContact O-N 3Å
322I89.5Confident81.6Confident28 Ų2881 Ų8114%0.14444%0.44CS..  trans-87.693.5179.5-54.5177.9000108.5F319 P331 A334 F335F319-I322 HydrophobicContact CD1-CD1 3.92Å; I322-P331 HydrophobicContact CG2-CG 4.08Å; I322-A334 HydrophobicContact CG1-CB 4.28Å; I322-F335 HydrophobicContact CD1-CB 4.34Å; I322-F335 HydrophobicContact CD1-CD2 4.47Å
323E90Very high83.1Confident170 Ų17081.4 Ų81.479%0.79444%0.443SS*.  trans-63.3138.1165.5-63.5-168.7157.200110.2D321 P331D321-E323 PolarHBondContact O-N 3Å; E323-P331 WeakPolarHBondContact O-CD 3.47Å; E323-P331 VanDerWaalsContact O-CG 3.27Å; E323-P331 WeakPolarHBondContact O-CG 3.22Å
324L92Very high84.5Confident101 Ų10179.8 Ų79.853%0.52943%0.434SS..  trans-86.5136.7177.1-61.6178.8000109.9I330L324-I330 HydrophobicContact CD2-CB 4.49Å; L324-I330 HydrophobicContact CD2-CG1 3.88Å
325L87.4Confident86.2Confident87 Ų8777.1 Ų77.146%0.45542%0.415SS..BIsolated β-bridgetrans-77.8-177.8172.3-52-175.1000110.6S328 G329 P331 T381L325-S328 WeakPolarHBondContact O-CA 3.48Å; L325-S328 PolarHBondContact O-N 3.08Å; L325-S328 VanDerWaalsContact O-N 3.15Å; L325-G329 PolarHBondContact N-O 2.81Å; L325-G329 PolarHBondContact O-N 3.48Å; L325-G329 VanDerWaalsContact O-N 3.11Å; L325-P331 HydrophobicContact CD2-CG 4.48Å; L325-P331 HydrophobicContact CG-CG 4.13Å; L325-T381 HydrophobicContact CD1-CG2 3.82Å
326E86.2Confident87.6Confident182 Ų18276.1 Ų76.185%0.8541%0.411SS*.G310 helixtrans-44.6145.6171.8-61.9178161.200112.3S328 G329E326-S328 PolarHBondContact O-N 2.93Å; E326-G329 WeakPolarHBondContact O-CA 3.39Å; E326-G329 PolarHBondContact O-N 3.45Å
327D85.5Confident88.8Confident167 Ų16770.2 Ų70.289%0.89339%0.385SS*.G310 helixtrans52.831.1-172.8-61.2-29.8000115.1G329D327-G329 PolarHBondContact O-N 3.11Å
328S89.1Confident89.8Confident77 Ų7768 Ų6854%0.53837%0.371SS..G310 helixtrans5930.8-172.8-52.70000112.9L325 E326 I330 Q383L325-S328 WeakPolarHBondContact O-CA 3.48Å; L325-S328 PolarHBondContact O-N 3.08Å; L325-S328 VanDerWaalsContact O-N 3.15Å; E326-S328 PolarHBondContact O-N 2.93Å; S328-I330 PolarHBondContact O-N 3.36Å; S328-Q383 PolarHBondContact O-NE2 3.02Å
329G90.4Very high90.3Very high3 Ų366.4 Ų66.43%0.03136%0.36CS..BIsolated β-bridgetrans-58.5119.5179.900000112L325 E326 D327 P331L325-G329 PolarHBondContact N-O 2.81Å; L325-G329 PolarHBondContact O-N 3.48Å; L325-G329 VanDerWaalsContact O-N 3.11Å; E326-G329 WeakPolarHBondContact O-CA 3.39Å; E326-G329 PolarHBondContact O-N 3.45Å; D327-G329 PolarHBondContact O-N 3.11Å; G329-P331 WeakPolarHBondContact O-CD 3.3Å
330I95.3Very high90.4Very high53 Ų5369 Ų6927%0.27237%0.368SS..PPolyproline II helixtrans-84.5116.2-179.9-58.6170.3000108.2L324 S328 T332 F335 T381 L382L324-I330 HydrophobicContact CD2-CB 4.49Å; L324-I330 HydrophobicContact CD2-CG1 3.88Å; S328-I330 PolarHBondContact O-N 3.36Å; I330-T332 PolarHBondContact O-N 3.32Å; I330-F335 HydrophobicContact CG2-CB 3.9Å; I330-F335 HydrophobicContact CG2-CD2 3.85Å; I330-F335 HydrophobicContact CG2-CG 4.06Å; I330-T381 WeakPolarHBondContact O-CA 3.49Å; I330-T381 WeakPolarHBondContact O-CB 3.39Å; I330-L382 HydrophobicContact CB-CB 4.5Å; I330-L382 HydrophobicContact CB-CD1 3.94Å; I330-L382 HydrophobicContact CB-CG 4.2Å; I330-L382 HydrophobicContact CD1-CD1 4.33Å; I330-L382 HydrophobicContact CG2-CD1 3.61Å; I330-L382 HydrophobicContact CG2-CG 4.14Å; I330-L382 PolarHBondContact O-N 2.87Å
331P94.6Very high90.6Very high25 Ų2565.2 Ų65.216%0.16234%0.343CS..BIsolated β-bridgetrans-59.3123.7179.9-19.128.4000111.9I322 E323 L325 G329 E333 A334 F335 T380I322-P331 HydrophobicContact CG2-CG 4.08Å; E323-P331 WeakPolarHBondContact O-CD 3.47Å; E323-P331 VanDerWaalsContact O-CG 3.27Å; E323-P331 WeakPolarHBondContact O-CG 3.22Å; L325-P331 HydrophobicContact CD2-CG 4.48Å; L325-P331 HydrophobicContact CG-CG 4.13Å; G329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-E333 PolarHBondContact O-N 2.86Å; P331-A334 HydrophobicContact CB-CB 4.23Å; P331-F335 VanDerWaalsContact O-CB 3.29Å; P331-F335 WeakPolarHBondContact O-CB 3.28Å; P331-F335 PolarHBondContact O-N 3.29Å; P331-F335 VanDerWaalsContact O-N 3.1Å; P331-T380 WeakPolarHBondContact CA-O 3.28Å
332T93.9Very high90.5Very high1 Ų160.4 Ų60.41%0.00632%0.317CS..Hα-helixtrans-60.2-50.1-174.4-59.60000112.1I330 L336 Y372 F379 T380 T381 L382 I385I330-T332 PolarHBondContact O-N 3.32Å; T332-L336 HydrophobicContact CG2-CD1 3.87Å; T332-L336 HydrophobicContact CG2-CG 4.5Å; T332-L336 WeakPolarHBondContact O-CB 3.47Å; T332-L336 VanDerWaalsContact O-CG 3.28Å; T332-L336 WeakPolarHBondContact O-CG 3.42Å; T332-L336 PolarHBondContact O-N 3.18Å; T332-Y372 HydrophobicContact CG2-CD1 4.09Å; T332-Y372 HydrophobicContact CG2-CD2 3.69Å; T332-Y372 HydrophobicContact CG2-CE2 4.28Å; T332-Y372 HydrophobicContact CG2-CG 3.6Å; T332-F379 WeakPolarHBondContact CB-O 3.4Å; T332-F379 PolarHBondContact OG1-O 3.26Å; T332-T380 PolarHBondContact N-O 3.39Å; T332-T380 PolarHBondContact OG1-O 3.19Å; T332-T381 WeakPolarHBondContact OG1-CA 3.3Å; T332-T381 PolarHBondContact OG1-N 3.11Å; T332-L382 HydrophobicContact CG2-CD2 4.15Å; T332-L382 PolarHBondContact OG1-N 3.38Å; T332-I385 HydrophobicContact CG2-CD1 3.72Å
333E92.7Very high90.3Very high106 Ų10659.5 Ų59.550%0.49531%0.313SS..Hα-helixtrans-68.7-44.6-172.4-165.7155.5156.700112P331 L336 A337 Y372 K376P331-E333 PolarHBondContact O-N 2.86Å; E333-L336 PolarHBondContact O-N 2.94Å; E333-A337 WeakPolarHBondContact O-CB 3.27Å; E333-A337 PolarHBondContact O-N 2.89Å; E333-Y372 HydrophobicContact CB-CE1 4.06Å; E333-Y372 HydrophobicContact CG-CE1 4.3Å; E333-Y372 WeakPolarHBondContact OE2-CE1 3.33Å; E333-Y372 VanDerWaalsContact OE2-CZ 3.32Å; E333-Y372 PolarHBondContact OE2-OH 3.04Å; E333-K376 IonicContact OE1-NZ 2.73Å; E333-K376 IonicContact OE2-NZ 2.89Å; E333-K376 PolarHBondContact OE2-NZ 3.42Å
334A91.8Very high89.9Confident36 Ų3654.3 Ų54.330%0.29829%0.294SS..Hα-helixtrans-64.4-43176.900000112.3I322 P331 L336 A337 S338I322-A334 HydrophobicContact CG1-CB 4.28Å; P331-A334 HydrophobicContact CB-CB 4.23Å; A334-L336 PolarHBondContact O-N 2.67Å; A334-A337 WeakPolarHBondContact O-CB 3.48Å; A334-A337 PolarHBondContact O-N 3.09Å; A334-S338 PolarHBondContact O-N 3.17Å; A334-S338 PolarHBondContact O-OG 3.49Å
335F94.3Very high89.2Confident27 Ų2749.8 Ų49.812%0.11827%0.27CS..Hα-helixtrans-62.6-43.5177.3-179.6-93000112.4F319 I322 I330 P331 A337 S338 C339 L382 L405 L408 L412F319-F335 HydrophobicContact CD1-CD2 4.42Å; F319-F335 HydrophobicContact CE1-CD2 4.09Å; F319-F335 HydrophobicContact CE1-CE2 4.02Å; I322-F335 HydrophobicContact CD1-CB 4.34Å; I322-F335 HydrophobicContact CD1-CD2 4.47Å; I330-F335 HydrophobicContact CG2-CB 3.9Å; I330-F335 HydrophobicContact CG2-CD2 3.85Å; I330-F335 HydrophobicContact CG2-CG 4.06Å; P331-F335 VanDerWaalsContact O-CB 3.29Å; P331-F335 WeakPolarHBondContact O-CB 3.28Å; P331-F335 PolarHBondContact O-N 3.29Å; P331-F335 VanDerWaalsContact O-N 3.1Å; F335-A337 VanDerWaalsContact C-N 3.34Å; F335-S338 PolarHBondContact O-N 2.89Å; F335-C339 VanDerWaalsContact CE1-SG 3.55Å; F335-C339 WeakPolarHBondContact O-CB 3.4Å; F335-C339 PolarHBondContact O-N 3.4Å; F335-C339 PolarHBondContact O-SG 3.18Å; F335-L382 HydrophobicContact CB-CD1 4.26Å; F335-L382 HydrophobicContact CD1-CD1 3.56Å; F335-L382 HydrophobicContact CD1-CD2 4.23Å; F335-L382 HydrophobicContact CD1-CG 4.45Å; F335-L382 HydrophobicContact CD2-CD1 4.14Å; F335-L382 HydrophobicContact CE1-CD1 3.82Å; F335-L382 HydrophobicContact CE2-CD1 4.37Å; F335-L382 HydrophobicContact CG-CD1 3.72Å; F335-L382 HydrophobicContact CZ-CD1 4.22Å; F335-L405 HydrophobicContact CE1-CD1 4.02Å; F335-L408 HydrophobicContact CE1-CD2 3.91Å; F335-L408 HydrophobicContact CE1-CG 4.41Å; F335-L412 HydrophobicContact CE1-CD1 4.36Å; F335-L412 HydrophobicContact CE2-CD1 4.15Å; F335-L412 HydrophobicContact CZ-CD1 3.55Å
336L93.4Very high88.9Confident11 Ų1145.9 Ų45.96%0.05825%0.25CC..Hα-helixtrans-67.8-34.2176.9-66.5176.2000112T332 E333 A334 C339 Y340 I365 V368 N369 L408T332-L336 HydrophobicContact CG2-CD1 3.87Å; T332-L336 HydrophobicContact CG2-CG 4.5Å; T332-L336 WeakPolarHBondContact O-CB 3.47Å; T332-L336 VanDerWaalsContact O-CG 3.28Å; T332-L336 WeakPolarHBondContact O-CG 3.42Å; T332-L336 PolarHBondContact O-N 3.18Å; E333-L336 PolarHBondContact O-N 2.94Å; A334-L336 PolarHBondContact O-N 2.67Å; L336-C339 PolarHBondContact O-N 3.4Å; L336-Y340 PolarHBondContact O-N 2.63Å; L336-I365 HydrophobicContact CD2-CG1 4.43Å; L336-I365 HydrophobicContact CD2-CG2 4.26Å; L336-V368 HydrophobicContact CD1-CB 4.42Å; L336-V368 HydrophobicContact CD1-CG1 4.13Å; L336-V368 HydrophobicContact CD2-CB 4.07Å; L336-V368 HydrophobicContact CD2-CG1 4.11Å; L336-N369 HydrophobicContact CD1-CB 4.1Å; L336-L408 HydrophobicContact CD2-CD2 4.18Å
337A90.3Very high88.5Confident38 Ų3840 Ų4031%0.31422%0.224SC..Hα-helixtrans-62.3-50173.100000112T317 E333 A334 F335 C339 Y340 A341T317-A337 HydrophobicContact CG2-CB 4.18Å; E333-A337 WeakPolarHBondContact O-CB 3.27Å; E333-A337 PolarHBondContact O-N 2.89Å; A334-A337 WeakPolarHBondContact O-CB 3.48Å; A334-A337 PolarHBondContact O-N 3.09Å; F335-A337 VanDerWaalsContact C-N 3.34Å; A337-C339 VanDerWaalsContact C-N 3.31Å; A337-C339 PolarHBondContact O-N 3.09Å; A337-Y340 CarbonylContact O-C 3.57Å; A337-Y340 WeakPolarHBondContact O-CA 3.44Å; A337-Y340 WeakPolarHBondContact O-CB 3.4Å; A337-Y340 PolarHBondContact O-N 3.23Å; A337-A341 PolarHBondContact O-N 2.92Å
338S90.3Very high88.1Confident2 Ų239.7 Ų39.71%0.01422%0.215CC..Hα-helixtrans-63.1-35.3175.5-65.50000112.9T317 S318 A334 F335 Y340 A341 V342T317-S338 PolarHBondContact O-OG 2.96Å; T317-S338 PolarHBondContact OG1-N 2.97Å; S318-S338 PolarHBondContact O-OG 3.41Å; A334-S338 PolarHBondContact O-N 3.17Å; A334-S338 PolarHBondContact O-OG 3.49Å; F335-S338 PolarHBondContact O-N 2.89Å; S338-Y340 VanDerWaalsContact C-N 3.29Å; S338-Y340 PolarHBondContact O-N 3.44Å; S338-A341 PolarHBondContact O-N 3.19Å; S338-V342 PolarHBondContact O-N 3.17Å
339C90.9Very high87.4Confident0 Ų039.5 Ų39.50%021%0.207CC..Hα-helixtrans-62.8-35.5171.3-67.20000112.3F335 L336 A337 L361 I365 L408F335-C339 VanDerWaalsContact CE1-SG 3.55Å; F335-C339 WeakPolarHBondContact O-CB 3.4Å; F335-C339 PolarHBondContact O-N 3.4Å; F335-C339 PolarHBondContact O-SG 3.18Å; L336-C339 PolarHBondContact O-N 3.4Å; A337-C339 VanDerWaalsContact C-N 3.31Å; A337-C339 PolarHBondContact O-N 3.09Å; C339-L361 WeakPolarHBondContact O-CD2 3.48Å; C339-I365 HydrophobicContact CB-CD1 3.62Å; C339-I365 HydrophobicContact CB-CG1 3.87Å; C339-L408 HydrophobicContact CB-CD1 4.31Å
340Y89.3Confident86.4Confident135 Ų13540 Ų4053%0.52921%0.213SC..Hα-helixtrans-77-32.7177.5-155.8-96.2000112.4L336 A337 S338 V342 V343 V362 I365L336-Y340 PolarHBondContact O-N 2.63Å; A337-Y340 CarbonylContact O-C 3.57Å; A337-Y340 WeakPolarHBondContact O-CA 3.44Å; A337-Y340 WeakPolarHBondContact O-CB 3.4Å; A337-Y340 PolarHBondContact O-N 3.23Å; S338-Y340 VanDerWaalsContact C-N 3.29Å; S338-Y340 PolarHBondContact O-N 3.44Å; Y340-V342 PolarHBondContact O-N 3.19Å; Y340-V342 VanDerWaalsContact O-N 3.17Å; Y340-V343 HydrophobicContact CD2-CG2 4.46Å; Y340-V343 WeakPolarHBondContact O-CB 3.33Å; Y340-V343 WeakPolarHBondContact O-CG2 3.35Å; Y340-V343 PolarHBondContact O-N 2.97Å; Y340-V362 HydrophobicContact CE2-CG2 4.31Å; Y340-I365 HydrophobicContact CD2-CD1 4.25Å; Y340-I365 HydrophobicContact CD2-CG2 4.49Å
341A88.3Confident85.3Confident17 Ų1741 Ų4114%0.1422%0.223CC..Hα-helixtrans-62.2-18.9174.500000113.7M315 A337 S338 P344M315-A341 HydrophobicContact CB-CB 4.12Å; M315-A341 HydrophobicContact CG-CB 4.14Å; M315-A341 HydrophobicContact SD-CB 4.4Å; A337-A341 PolarHBondContact O-N 2.92Å; S338-A341 PolarHBondContact O-N 3.19Å; A341-P344 WeakPolarHBondContact O-CD 3.38Å
342V84.8Confident84Confident3 Ų344.7 Ų44.72%0.01825%0.245CC..THydrogen-bonded Turntrans-72.2-27171.11710000112.9M315 F319 S338 Y340 V345 L346 L361 L415M315-V342 HydrophobicContact CE-CG2 4.16Å; F319-V342 HydrophobicContact CE2-CG2 4.06Å; S338-V342 PolarHBondContact O-N 3.17Å; Y340-V342 PolarHBondContact O-N 3.19Å; Y340-V342 VanDerWaalsContact O-N 3.17Å; V342-V345 HydrophobicContact CB-CG2 4.5Å; V342-V345 HydrophobicContact CG1-CG2 4.39Å; V342-V345 VanDerWaalsContact O-CB 3.22Å; V342-V345 WeakPolarHBondContact O-CB 3.44Å; V342-V345 WeakPolarHBondContact O-CG2 3.44Å; V342-V345 PolarHBondContact O-N 2.98Å; V342-L346 HydrophobicContact CG1-CD1 4.45Å; V342-L346 HydrophobicContact CG1-CG 4.35Å; V342-L346 PolarHBondContact O-N 3.24Å; V342-L361 HydrophobicContact CB-CD2 4.28Å; V342-L361 HydrophobicContact CG1-CD2 4.11Å; V342-L415 HydrophobicContact CB-CD2 4.34Å; V342-L415 HydrophobicContact CG1-CD1 4.08Å; V342-L415 HydrophobicContact CG1-CD2 3.58Å; V342-L415 HydrophobicContact CG1-CG 4.47Å; V342-L415 HydrophobicContact CG2-CD2 3.72Å
343V85.3Confident82.7Confident9 Ų946.3 Ų46.36%0.05526%0.255CS..Hα-helixtrans-58.1-45-171.5176.40000112.7Y340 V345 L346 D347 K358 L361 V362Y340-V343 HydrophobicContact CD2-CG2 4.46Å; Y340-V343 WeakPolarHBondContact O-CB 3.33Å; Y340-V343 WeakPolarHBondContact O-CG2 3.35Å; Y340-V343 PolarHBondContact O-N 2.97Å; V343-V345 PolarHBondContact O-N 2.78Å; V343-L346 WeakPolarHBondContact O-CB 3.17Å; V343-L346 PolarHBondContact O-N 3.42Å; V343-D347 PolarHBondContact O-N 3.06Å; V343-K358 HydrophobicContact CG1-CD 3.79Å; V343-K358 HydrophobicContact CG1-CG 3.99Å; V343-L361 HydrophobicContact CG2-CD2 4.09Å; V343-V362 HydrophobicContact CG1-CG2 4.38Å; V343-V362 HydrophobicContact CG2-CG2 3.68Å
344P82.7Confident81.8Confident60 Ų6041.5 Ų41.539%0.3923%0.232SC..Hα-helixtrans-73.5-9.5177.3-1329.6000114.3F311 A341 K348F311-P344 HydrophobicContact CE2-CB 4.18Å; F311-P344 WeakPolarHBondContact CE2-O 3.31Å; F311-P344 HydrophobicContact CZ-CB 3.92Å; A341-P344 WeakPolarHBondContact O-CD 3.38Å; P344-K348 WeakPolarHBondContact O-CG 3.48Å; P344-K348 PolarHBondContact O-N 2.83Å
345V77.9Confident80.8Confident7 Ų741.4 Ų41.44%0.04223%0.232CC..Hα-helixtrans-66.6-49.7167.3-160.80000108.4F311 M315 V342 V343 D347 K348 L349F311-V345 HydrophobicContact CD1-CB 4.19Å; F311-V345 HydrophobicContact CD1-CG1 4.18Å; F311-V345 HydrophobicContact CD1-CG2 3.48Å; F311-V345 VanDerWaalsContact CD1-CG2 3.48Å; F311-V345 HydrophobicContact CE1-CB 4Å; F311-V345 HydrophobicContact CE1-CG1 4.49Å; F311-V345 HydrophobicContact CE1-CG2 3.13Å; F311-V345 HydrophobicContact CG-CG1 4.43Å; F311-V345 HydrophobicContact CG-CG2 4.4Å; F311-V345 HydrophobicContact CZ-CB 4.25Å; F311-V345 HydrophobicContact CZ-CG2 3.75Å; F311-V345 VanDerWaalsContact CZ-N 3.32Å; M315-V345 HydrophobicContact CE-CG2 3.38Å; V342-V345 HydrophobicContact CB-CG2 4.5Å; V342-V345 HydrophobicContact CG1-CG2 4.39Å; V342-V345 VanDerWaalsContact O-CB 3.22Å; V342-V345 WeakPolarHBondContact O-CB 3.44Å; V342-V345 WeakPolarHBondContact O-CG2 3.44Å; V342-V345 PolarHBondContact O-N 2.98Å; V343-V345 PolarHBondContact O-N 2.78Å; V345-D347 VanDerWaalsContact C-N 3.31Å; V345-D347 PolarHBondContact O-N 2.86Å; V345-K348 PolarHBondContact O-N 2.77Å; V345-L349 HydrophobicContact CG1-CD1 3.66Å; V345-L349 HydrophobicContact CG1-CG 4.08Å; V345-L349 WeakPolarHBondContact O-CG 3.35Å; V345-L349 PolarHBondContact O-N 3.27Å
346L79.3Confident79.5Confident4 Ų442 Ų422%0.02124%0.238CC..Hα-helixtrans-63-40.3-175.2-58.8179.5000111V342 V343 K348 G350 F354 V357 K358 L415V342-L346 HydrophobicContact CG1-CD1 4.45Å; V342-L346 HydrophobicContact CG1-CG 4.35Å; V342-L346 PolarHBondContact O-N 3.24Å; V343-L346 WeakPolarHBondContact O-CB 3.17Å; V343-L346 PolarHBondContact O-N 3.42Å; L346-K348 VanDerWaalsContact C-N 3.27Å; L346-K348 PolarHBondContact O-N 3.06Å; L346-G350 CarbonylContact O-C 3.55Å; L346-G350 PolarHBondContact O-N 2.83Å; L346-G350 VanDerWaalsContact O-N 3.12Å; L346-F354 HydrophobicContact CB-CB 3.8Å; L346-F354 HydrophobicContact CB-CG 4.35Å; L346-F354 HydrophobicContact CD2-CB 4.12Å; L346-F354 HydrophobicContact CD2-CD1 3.9Å; L346-F354 HydrophobicContact CD2-CG 3.97Å; L346-F354 HydrophobicContact CG-CB 4.4Å; L346-V357 HydrophobicContact CD1-CG1 4.16Å; L346-K358 HydrophobicContact CD1-CB 4.04Å; L346-L415 HydrophobicContact CD2-CD1 4.4Å
347D78Confident78.7Confident58 Ų5842.3 Ų42.331%0.3124%0.24SC..Hα-helixtrans-64.4-27174.7-68.8-44.2000113.8V343 V345 P351 K358V343-D347 PolarHBondContact O-N 3.06Å; V345-D347 VanDerWaalsContact C-N 3.31Å; V345-D347 PolarHBondContact O-N 2.86Å; D347-P351 WeakPolarHBondContact O-CD 3.49Å; D347-K358 WeakPolarHBondContact OD1-CD 2.94Å; D347-K358 IonicContact OD1-NZ 3.17Å; D347-K358 PolarHBondContact OD1-NZ 3.37Å; D347-K358 IonicContact OD2-NZ 2.76Å; D347-K358 PolarHBondContact OD2-NZ 2.75Å
348K77.4Confident78.3Confident161 Ų16143.4 Ų43.470%0.724%0.238SC*.Hα-helixtrans-90.1-34.6177.5-75.3177.6-177.6-69.80113.4F311 P344 V345 L346F311-K348 HydrophobicContact CD2-CD 3.69Å; F311-K348 HydrophobicContact CE2-CD 3.74Å; P344-K348 WeakPolarHBondContact O-CG 3.48Å; P344-K348 PolarHBondContact O-N 2.83Å; V345-K348 PolarHBondContact O-N 2.77Å; L346-K348 VanDerWaalsContact C-N 3.27Å; L346-K348 PolarHBondContact O-N 3.06Å
349L73.7Confident77.7Confident73 Ų7350.2 Ų50.238%0.38227%0.271SS..Hα-helixtrans-74.1-27.8178.6-70.7173.7000112.7V345 F354 F418V345-L349 HydrophobicContact CG1-CD1 3.66Å; V345-L349 HydrophobicContact CG1-CG 4.08Å; V345-L349 WeakPolarHBondContact O-CG 3.35Å; V345-L349 PolarHBondContact O-N 3.27Å; L349-F354 HydrophobicContact CB-CD2 3.97Å; L349-F354 HydrophobicContact CB-CE2 3.55Å; L349-F354 HydrophobicContact CB-CZ 4.43Å; L349-F354 HydrophobicContact CD1-CE2 4.43Å; L349-F418 HydrophobicContact CD1-CE1 3.74Å; L349-F418 HydrophobicContact CD1-CZ 4.29Å
350G70.1Confident77.3Confident14 Ų1453.2 Ų53.214%0.14429%0.287CS..  trans164.188.7178.800000111.5L346 T352 V353 F354L346-G350 CarbonylContact O-C 3.55Å; L346-G350 PolarHBondContact O-N 2.83Å; L346-G350 VanDerWaalsContact O-N 3.12Å; G350-T352 PolarHBondContact O-N 3.47Å; G350-V353 WeakPolarHBondContact O-CG2 3.44Å; G350-V353 PolarHBondContact O-N 2.93Å; G350-V353 VanDerWaalsContact O-N 3.17Å; G350-F354 WeakPolarHBondContact O-CD2 3.47Å; G350-F354 PolarHBondContact O-N 3.21Å
351P71.9Confident77.1Confident75 Ų7547 Ų4749%0.48726%0.263SS..THydrogen-bonded Turntrans-62.1-32.9-168.523.9-32.7000112.4D347 A355D347-P351 WeakPolarHBondContact O-CD 3.49Å; P351-A355 WeakPolarHBondContact O-CB 3.4Å; P351-A355 PolarHBondContact O-N 3.47Å
352T67.6Low77.1Confident101 Ų10148.5 Ų48.562%0.6227%0.271SS*.THydrogen-bonded Turntrans-71.6-51.9174.6-43.90000111.9G350 F354 A355 H456G350-T352 PolarHBondContact O-N 3.47Å; T352-F354 PolarHBondContact O-N 2.99Å; T352-A355 WeakPolarHBondContact O-CB 3.49Å; T352-A355 PolarHBondContact O-N 3.47Å; T352-H456 PolarHBondContact O-CD2 3.18Å
353V66.8Low77.2Confident36 Ų3649.8 Ų49.822%0.21829%0.285CS..THydrogen-bonded Turntrans-71.4-30-172.4-56.40000112.9G350 H456G350-V353 WeakPolarHBondContact O-CG2 3.44Å; G350-V353 PolarHBondContact O-N 2.93Å; G350-V353 VanDerWaalsContact O-N 3.17Å; V353-H456 HydrophobicContact CB-CB 4.14Å; V353-H456 HydrophobicContact CG1-CB 4.27Å; V353-H456 WeakPolarHBondContact CG1-O 3.38Å
354F74.5Confident77.4Confident4 Ų449.5 Ų49.52%0.01828%0.283CS..THydrogen-bonded Turntrans-93.80.4174.3-64.2-72.1000114.1L346 L349 G350 T352 V357 K358 F418 L433L346-F354 HydrophobicContact CB-CB 3.8Å; L346-F354 HydrophobicContact CB-CG 4.35Å; L346-F354 HydrophobicContact CD2-CB 4.12Å; L346-F354 HydrophobicContact CD2-CD1 3.9Å; L346-F354 HydrophobicContact CD2-CG 3.97Å; L346-F354 HydrophobicContact CG-CB 4.4Å; L349-F354 HydrophobicContact CB-CD2 3.97Å; L349-F354 HydrophobicContact CB-CE2 3.55Å; L349-F354 HydrophobicContact CB-CZ 4.43Å; L349-F354 HydrophobicContact CD1-CE2 4.43Å; G350-F354 WeakPolarHBondContact O-CD2 3.47Å; G350-F354 PolarHBondContact O-N 3.21Å; T352-F354 PolarHBondContact O-N 2.99Å; F354-V357 HydrophobicContact CD1-CG2 4.43Å; F354-V357 WeakPolarHBondContact O-CB 3.3Å; F354-V357 PolarHBondContact O-N 2.92Å; F354-K358 WeakPolarHBondContact O-CB 2.77Å; F354-K358 PolarHBondContact O-N 2.94Å; F354-F418 HydrophobicContact CZ-CE1 4.45Å; F354-F418 HydrophobicContact CZ-CZ 4.18Å; F354-L433 HydrophobicContact CD1-CD1 4.47Å; F354-L433 HydrophobicContact CE1-CD1 3.61Å; F354-L433 HydrophobicContact CE1-CG 4.16Å; F354-L433 HydrophobicContact CZ-CD1 3.66Å; F354-L433 HydrophobicContact CZ-CG 4.42Å
355A70.3Confident77.8Confident35 Ų3547.3 Ų47.329%0.28927%0.268SS..Hα-helixtrans-52.9-45179.100000113.7P351 T352 V357 K358 M359P351-A355 WeakPolarHBondContact O-CB 3.4Å; P351-A355 PolarHBondContact O-N 3.47Å; T352-A355 WeakPolarHBondContact O-CB 3.49Å; T352-A355 PolarHBondContact O-N 3.47Å; A355-V357 VanDerWaalsContact C-N 3.33Å; A355-V357 PolarHBondContact O-N 3.39Å; A355-K358 PolarHBondContact O-N 3.29Å; A355-M359 WeakPolarHBondContact O-CB 3.49Å; A355-M359 WeakPolarHBondContact O-CG 3.47Å; A355-M359 PolarHBondContact O-N 2.89Å
356P66.7Low78.5Confident39 Ų3953.4 Ų53.425%0.25329%0.294SS..Hα-helixtrans-63.2-38.6177.2-21.834.4000112.8D360 V452P356-D360 PolarHBondContact O-N 3.31Å; P356-D360 VanDerWaalsContact O-N 3.11Å; P356-V452 HydrophobicContact CB-CG1 4.43Å; P356-V452 HydrophobicContact CG-CG1 3.97Å
357V76.6Confident79Confident17 Ų1755.4 Ų55.410%0.10330%0.302CS..Hα-helixtrans-66.9-45.6178.2-177.20000110.4L346 F354 A355 D360 L361 F414 F453L346-V357 HydrophobicContact CD1-CG1 4.16Å; F354-V357 HydrophobicContact CD1-CG2 4.43Å; F354-V357 WeakPolarHBondContact O-CB 3.3Å; F354-V357 PolarHBondContact O-N 2.92Å; A355-V357 VanDerWaalsContact C-N 3.33Å; A355-V357 PolarHBondContact O-N 3.39Å; V357-D360 PolarHBondContact O-N 2.61Å; V357-L361 VanDerWaalsContact O-CB 3.28Å; V357-L361 WeakPolarHBondContact O-CB 3.37Å; V357-L361 PolarHBondContact O-N 3.38Å; V357-F414 HydrophobicContact CG1-CD1 4.44Å; V357-F414 HydrophobicContact CG1-CE1 4.28Å; V357-F414 HydrophobicContact CG2-CE1 4.06Å; V357-F453 HydrophobicContact CG2-CE1 3.66Å; V357-F453 HydrophobicContact CG2-CZ 3.71Å
358K82.3Confident79.7Confident62 Ų6252.6 Ų52.627%0.2729%0.287SS..Hα-helixtrans-60.9-43.5176.7168.7169.3169.3172.60111.9V343 L346 D347 F354 A355 L361 V362V343-K358 HydrophobicContact CG1-CD 3.79Å; V343-K358 HydrophobicContact CG1-CG 3.99Å; L346-K358 HydrophobicContact CD1-CB 4.04Å; D347-K358 WeakPolarHBondContact OD1-CD 2.94Å; D347-K358 IonicContact OD1-NZ 3.17Å; D347-K358 PolarHBondContact OD1-NZ 3.37Å; D347-K358 IonicContact OD2-NZ 2.76Å; D347-K358 PolarHBondContact OD2-NZ 2.75Å; F354-K358 WeakPolarHBondContact O-CB 2.77Å; F354-K358 PolarHBondContact O-N 2.94Å; A355-K358 PolarHBondContact O-N 3.29Å; K358-L361 PolarHBondContact O-N 3.46Å; K358-V362 WeakPolarHBondContact O-CB 3.3Å; K358-V362 WeakPolarHBondContact O-CG2 3.33Å; K358-V362 PolarHBondContact O-N 3.48Å
359M77.9Confident80.3Confident144 Ų14448.1 Ų48.171%0.70927%0.271SS*.Hα-helixtrans-64.6-44178.6-74.1178.468.100112.4A355 G363A355-M359 WeakPolarHBondContact O-CB 3.49Å; A355-M359 WeakPolarHBondContact O-CG 3.47Å; A355-M359 PolarHBondContact O-N 2.89Å; M359-G363 PolarHBondContact O-N 3.41Å
360D81.5Confident81.2Confident63 Ų6349.6 Ų49.634%0.33728%0.276SS..Hα-helixtrans-64.8-46175.1-177.672.3000111.8P356 V357 V362 G363 N364P356-D360 PolarHBondContact O-N 3.31Å; P356-D360 VanDerWaalsContact O-N 3.11Å; V357-D360 PolarHBondContact O-N 2.61Å; D360-V362 PolarHBondContact O-N 2.85Å; D360-G363 PolarHBondContact O-N 3.06Å; D360-N364 WeakPolarHBondContact O-CB 3.45Å; D360-N364 PolarHBondContact O-N 2.88Å; D360-N364 PolarHBondContact O-ND2 2.88Å; D360-N364 VanDerWaalsContact O-ND2 3.08Å; D360-N364 PolarHBondContact OD1-ND2 2.99Å; D360-N364 PolarHBondContact OD2-ND2 3.26Å
361L85.9Confident82.2Confident5 Ų550.7 Ų50.73%0.02628%0.277CS..Hα-helixtrans-57.7-53.1179.6-162.481.7000111.3C339 V342 V343 V357 K358 N364 I365 L408C339-L361 WeakPolarHBondContact O-CD2 3.48Å; V342-L361 HydrophobicContact CB-CD2 4.28Å; V342-L361 HydrophobicContact CG1-CD2 4.11Å; V343-L361 HydrophobicContact CG2-CD2 4.09Å; V357-L361 VanDerWaalsContact O-CB 3.28Å; V357-L361 WeakPolarHBondContact O-CB 3.37Å; V357-L361 PolarHBondContact O-N 3.38Å; K358-L361 PolarHBondContact O-N 3.46Å; L361-N364 PolarHBondContact O-N 3.37Å; L361-I365 HydrophobicContact CD2-CD1 4.5Å; L361-I365 HydrophobicContact CG-CD1 4.11Å; L361-I365 WeakPolarHBondContact O-CB 3.39Å; L361-I365 WeakPolarHBondContact O-CD1 3.36Å; L361-I365 WeakPolarHBondContact O-CG1 3.3Å; L361-I365 PolarHBondContact O-N 3.23Å; L361-L408 HydrophobicContact CD1-CD1 3.46Å; L361-L408 VanDerWaalsContact CD1-CD1 3.46Å; L361-L408 HydrophobicContact CG-CD1 4.15Å
362V87.6Confident83.1Confident48 Ų4848 Ų4829%0.29126%0.257SS..Hα-helixtrans-65.8-39.5179.2173.40000111.5Y340 V343 K358 D360 N364 K366Y340-V362 HydrophobicContact CE2-CG2 4.31Å; V343-V362 HydrophobicContact CG1-CG2 4.38Å; V343-V362 HydrophobicContact CG2-CG2 3.68Å; K358-V362 WeakPolarHBondContact O-CB 3.3Å; K358-V362 WeakPolarHBondContact O-CG2 3.33Å; K358-V362 PolarHBondContact O-N 3.48Å; D360-V362 PolarHBondContact O-N 2.85Å; V362-N364 PolarHBondContact O-N 3.05Å; V362-K366 WeakPolarHBondContact O-CB 3.38Å; V362-K366 PolarHBondContact O-N 3.06Å
363G87.6Confident84.4Confident31 Ų3148 Ų4832%0.3225%0.252SS..Hα-helixtrans-61.8-41.6176.800000112.8M359 D360 K366 K367M359-G363 PolarHBondContact O-N 3.41Å; D360-G363 PolarHBondContact O-N 3.06Å; G363-K366 PolarHBondContact O-N 2.87Å; G363-K367 WeakPolarHBondContact O-CG 3.39Å; G363-K367 PolarHBondContact O-N 2.83Å
364N89.6Confident85.6Confident2 Ų251 Ų511%0.01127%0.27CS..Hα-helixtrans-78.9-36.7-179.9-67.4-38.6000112.6D360 L361 V362 K366 K367 V368 A404 W407 L408D360-N364 WeakPolarHBondContact O-CB 3.45Å; D360-N364 PolarHBondContact O-N 2.88Å; D360-N364 PolarHBondContact O-ND2 2.88Å; D360-N364 VanDerWaalsContact O-ND2 3.08Å; D360-N364 PolarHBondContact OD1-ND2 2.99Å; D360-N364 PolarHBondContact OD2-ND2 3.26Å; L361-N364 PolarHBondContact O-N 3.37Å; V362-N364 PolarHBondContact O-N 3.05Å; N364-K366 VanDerWaalsContact C-N 3.26Å; N364-K366 PolarHBondContact O-N 3.41Å; N364-K367 PolarHBondContact O-N 3.12Å; N364-K367 PolarHBondContact OD1-NZ 2.8Å; N364-V368 WeakPolarHBondContact O-CG2 3.19Å; N364-V368 PolarHBondContact O-N 2.77Å; N364-V368 VanDerWaalsContact O-N 3.12Å; N364-A404 HydrophobicContact CB-CB 4.18Å; N364-W407 VanDerWaalsContact ND2-CB 3.31Å; N364-W407 WeakPolarHBondContact ND2-CB 3.2Å; N364-L408 HydrophobicContact CB-CB 4.31Å
365I91.7Very high86.3Confident15 Ų1553.7 Ų53.78%0.07729%0.285CS..Hα-helixtrans-53.6-46.3167-71.1163.6000110.1L336 C339 Y340 L361 K367 V368 N369 L408L336-I365 HydrophobicContact CD2-CG1 4.43Å; L336-I365 HydrophobicContact CD2-CG2 4.26Å; C339-I365 HydrophobicContact CB-CD1 3.62Å; C339-I365 HydrophobicContact CB-CG1 3.87Å; Y340-I365 HydrophobicContact CD2-CD1 4.25Å; Y340-I365 HydrophobicContact CD2-CG2 4.49Å; L361-I365 HydrophobicContact CD2-CD1 4.5Å; L361-I365 HydrophobicContact CG-CD1 4.11Å; L361-I365 WeakPolarHBondContact O-CB 3.39Å; L361-I365 WeakPolarHBondContact O-CD1 3.36Å; L361-I365 WeakPolarHBondContact O-CG1 3.3Å; L361-I365 PolarHBondContact O-N 3.23Å; I365-K367 PolarHBondContact O-N 2.86Å; I365-V368 PolarHBondContact O-N 2.92Å; I365-N369 VanDerWaalsContact O-CB 3.32Å; I365-N369 WeakPolarHBondContact O-CB 3.38Å; I365-N369 PolarHBondContact O-N 2.83Å; I365-L408 HydrophobicContact CG1-CD1 4.16Å; I365-L408 HydrophobicContact CG1-CD2 4.2Å
366K91Very high87.4Confident134 Ų13456.7 Ų56.758%0.58329%0.292SS*.Hα-helixtrans-60.9-43.8-179.8-173.8177.2178.9179.40112.6V362 G363 N364 N369 Q370V362-K366 WeakPolarHBondContact O-CB 3.38Å; V362-K366 PolarHBondContact O-N 3.06Å; G363-K366 PolarHBondContact O-N 2.87Å; N364-K366 VanDerWaalsContact C-N 3.26Å; N364-K366 PolarHBondContact O-N 3.41Å; K366-N369 PolarHBondContact O-N 3.1Å; K366-Q370 WeakPolarHBondContact O-CB 3.38Å; K366-Q370 VanDerWaalsContact O-CG 3.27Å; K366-Q370 WeakPolarHBondContact O-CG 3.4Å; K366-Q370 PolarHBondContact O-N 3.47Å; K366-Q370 PolarHBondContact O-OE1 3.07Å
367K90.4Very high88.7Confident46 Ų4663.1 Ų63.120%0.232%0.318CS..Hα-helixtrans-62.6-47.5177.5-67.8168.4-170.3166.60112.4G363 N364 I365 N369 Q370 K371 N399 A404G363-K367 WeakPolarHBondContact O-CG 3.39Å; G363-K367 PolarHBondContact O-N 2.83Å; N364-K367 PolarHBondContact O-N 3.12Å; N364-K367 PolarHBondContact OD1-NZ 2.8Å; I365-K367 PolarHBondContact O-N 2.86Å; K367-N369 VanDerWaalsContact C-N 3.33Å; K367-N369 PolarHBondContact O-N 3.5Å; K367-Q370 WeakPolarHBondContact O-CB 3.43Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-K371 PolarHBondContact O-N 3.28Å; K367-N399 HydrophobicContact CD-CB 4.39Å; K367-A404 HydrophobicContact CB-CB 3.49Å; K367-A404 VanDerWaalsContact CB-CB 3.49Å; K367-A404 HydrophobicContact CD-CB 3.61Å; K367-A404 HydrophobicContact CG-CB 4.24Å
368V91.8Very high89.3Confident0 Ų066.1 Ų66.10%033%0.331CS..Hα-helixtrans-62.9-42.7177.6-177.10000110.4L336 N364 I365 Q370 K371 Y372 L382 I385 A401 A404 L405L336-V368 HydrophobicContact CD1-CB 4.42Å; L336-V368 HydrophobicContact CD1-CG1 4.13Å; L336-V368 HydrophobicContact CD2-CB 4.07Å; L336-V368 HydrophobicContact CD2-CG1 4.11Å; N364-V368 WeakPolarHBondContact O-CG2 3.19Å; N364-V368 PolarHBondContact O-N 2.77Å; N364-V368 VanDerWaalsContact O-N 3.12Å; I365-V368 PolarHBondContact O-N 2.92Å; V368-Q370 VanDerWaalsContact C-N 3.32Å; V368-Q370 PolarHBondContact O-N 2.82Å; V368-K371 PolarHBondContact O-N 3.35Å; V368-Y372 PolarHBondContact O-N 2.73Å; V368-L382 HydrophobicContact CG1-CD2 4.25Å; V368-I385 HydrophobicContact CG1-CD1 4.18Å; V368-A401 HydrophobicContact CG2-CB 4.45Å; V368-A404 HydrophobicContact CG2-CB 3.76Å; V368-L405 HydrophobicContact CG2-CB 4.16Å
369N92Very high89.9Confident66 Ų6663.2 Ų63.235%0.35332%0.319SS..Hα-helixtrans-62.4-37.4175.2-169.251.8000112.5L336 I365 K366 K367 K371 Y372 I373L336-N369 HydrophobicContact CD1-CB 4.1Å; I365-N369 VanDerWaalsContact O-CB 3.32Å; I365-N369 WeakPolarHBondContact O-CB 3.38Å; I365-N369 PolarHBondContact O-N 2.83Å; K366-N369 PolarHBondContact O-N 3.1Å; K367-N369 VanDerWaalsContact C-N 3.33Å; K367-N369 PolarHBondContact O-N 3.5Å; N369-K371 VanDerWaalsContact C-N 3.32Å; N369-K371 PolarHBondContact O-N 3.07Å; N369-Y372 PolarHBondContact O-N 3.32Å; N369-I373 WeakPolarHBondContact O-CG1 3.38Å; N369-I373 WeakPolarHBondContact O-CG2 3.32Å; N369-I373 PolarHBondContact O-N 3.22Å
370Q92.2Very high90.7Very high105 Ų10558.8 Ų58.849%0.49130%0.3SS..Hα-helixtrans-61-36.8176.2-80.6172.9-6200112.6K366 K367 V368 I373K366-Q370 WeakPolarHBondContact O-CB 3.38Å; K366-Q370 VanDerWaalsContact O-CG 3.27Å; K366-Q370 WeakPolarHBondContact O-CG 3.4Å; K366-Q370 PolarHBondContact O-N 3.47Å; K366-Q370 PolarHBondContact O-OE1 3.07Å; K367-Q370 WeakPolarHBondContact O-CB 3.43Å; K367-Q370 PolarHBondContact O-N 2.92Å; V368-Q370 VanDerWaalsContact C-N 3.32Å; V368-Q370 PolarHBondContact O-N 2.82Å; Q370-I373 WeakPolarHBondContact O-CG1 3.31Å
371K90.2Very high91.3Very high36 Ų3656.3 Ų56.316%0.15729%0.287CS..Hα-helixtrans-73.3-45.5171.618055.8175.7166.20111.2K367 V368 N369 I373 T374 F379 I385 H388 A401K367-K371 PolarHBondContact O-N 3.28Å; V368-K371 PolarHBondContact O-N 3.35Å; N369-K371 VanDerWaalsContact C-N 3.32Å; N369-K371 PolarHBondContact O-N 3.07Å; K371-I373 PolarHBondContact O-N 2.83Å; K371-T374 PolarHBondContact O-N 3.27Å; K371-T374 PolarHBondContact O-OG1 3.32Å; K371-F379 HydrophobicContact CD-CE2 4.07Å; K371-F379 HydrophobicContact CD-CZ 4.29Å; K371-F379 VanDerWaalsContact CE-CZ 3.41Å; K371-F379 WeakPolarHBondContact O-CD2 3.34Å; K371-I385 HydrophobicContact CG-CG2 3.89Å; K371-H388 PolarHBondContact NZ-CD2 2.98Å; K371-H388 PolarHBondContact NZ-CE1 2.92Å; K371-H388 VanDerWaalsContact NZ-CE1 3.27Å; K371-H388 PolarHBondContact NZ-NE2 3.06Å; K371-A401 HydrophobicContact CB-CB 3.73Å; K371-A401 HydrophobicContact CG-CB 4.06Å
372Y92.1Very high91.7Very high20 Ų2056.4 Ų56.48%0.07829%0.288CS..Hα-helixtrans-52.5-47.5178.3174.2-127.7000113.3T332 E333 V368 N369 T374 N375 K376 F379T332-Y372 HydrophobicContact CG2-CD1 4.09Å; T332-Y372 HydrophobicContact CG2-CD2 3.69Å; T332-Y372 HydrophobicContact CG2-CE2 4.28Å; T332-Y372 HydrophobicContact CG2-CG 3.6Å; E333-Y372 HydrophobicContact CB-CE1 4.06Å; E333-Y372 HydrophobicContact CG-CE1 4.3Å; E333-Y372 WeakPolarHBondContact OE2-CE1 3.33Å; E333-Y372 VanDerWaalsContact OE2-CZ 3.32Å; E333-Y372 PolarHBondContact OE2-OH 3.04Å; V368-Y372 PolarHBondContact O-N 2.73Å; N369-Y372 PolarHBondContact O-N 3.32Å; Y372-T374 PolarHBondContact O-N 2.79Å; Y372-T374 VanDerWaalsContact O-N 3.16Å; Y372-N375 CarbonylContact O-C 3.56Å; Y372-N375 PolarHBondContact O-N 2.64Å; Y372-K376 HydrophobicContact CD2-CG 4.37Å; Y372-K376 HydrophobicContact CE1-CD 4.08Å; Y372-K376 HydrophobicContact CE1-CG 4.12Å; Y372-K376 HydrophobicContact CE2-CB 4.03Å; Y372-K376 HydrophobicContact CE2-CD 4.43Å; Y372-K376 HydrophobicContact CE2-CG 3.85Å; Y372-K376 PolarHBondContact O-N 3.12Å; Y372-F379 HydrophobicContact CD2-CB 3.9Å; Y372-F379 VanDerWaalsContact CD2-O 3.3Å; Y372-F379 WeakPolarHBondContact CD2-O 3.15Å
373I93Very high92.1Very high101 Ų10157.2 Ų57.252%0.51829%0.288SS..THydrogen-bonded Turntrans-69.6-8.7-179.167.2178.3000114.6N369 Q370 K371N369-I373 WeakPolarHBondContact O-CG1 3.38Å; N369-I373 WeakPolarHBondContact O-CG2 3.32Å; N369-I373 PolarHBondContact O-N 3.22Å; Q370-I373 WeakPolarHBondContact O-CG1 3.31Å; K371-I373 PolarHBondContact O-N 2.83Å
374T91.9Very high92.3Very high97 Ų9760.2 Ų60.260%0.59529%0.292SS*.THydrogen-bonded Turntrans-74.4-31.1174.261.40000112.8K371 Y372 F379K371-T374 PolarHBondContact O-N 3.27Å; K371-T374 PolarHBondContact O-OG1 3.32Å; Y372-T374 PolarHBondContact O-N 2.79Å; Y372-T374 VanDerWaalsContact O-N 3.16Å; T374-F379 WeakPolarHBondContact OG1-CE2 3.45Å
375N91.1Very high92.5Very high62 Ų6260.2 Ų60.233%0.33229%0.292SS..  trans-15691.8170.8-170.5-6.3000110.6Y372 E377 E378 F379Y372-N375 CarbonylContact O-C 3.56Å; Y372-N375 PolarHBondContact O-N 2.64Å; N375-E377 VanDerWaalsContact C-N 3.3Å; N375-E377 PolarHBondContact O-N 3.22Å; N375-E377 PolarHBondContact OD1-N 3.1Å; N375-E378 HydrophobicContact CB-CB 4.02Å; N375-E378 VanDerWaalsContact CG-CB 3.44Å; N375-E378 WeakPolarHBondContact ND2-CB 3.21Å; N375-E378 PolarHBondContact ND2-OE2 3.07Å; N375-E378 PolarHBondContact O-N 3.33Å; N375-E378 PolarHBondContact OD1-N 2.62Å; N375-F379 HydrophobicContact CB-CD2 3.98Å; N375-F379 HydrophobicContact CB-CE2 3.69Å; N375-F379 HydrophobicContact CB-CZ 4.42Å; N375-F379 WeakPolarHBondContact O-CB 3.31Å; N375-F379 WeakPolarHBondContact O-CD2 3.49Å; N375-F379 WeakPolarHBondContact O-CG 3.48Å; N375-F379 PolarHBondContact O-N 2.9Å
376K93.3Very high92.6Very high98 Ų9861.4 Ų61.443%0.42630%0.3SS..THydrogen-bonded Turntrans-64.5-31.3-177.1-76.1-160.8166.6-153.30113.8E333 Y372 T380E333-K376 IonicContact OE1-NZ 2.73Å; E333-K376 IonicContact OE2-NZ 2.89Å; E333-K376 PolarHBondContact OE2-NZ 3.42Å; Y372-K376 HydrophobicContact CD2-CG 4.37Å; Y372-K376 HydrophobicContact CE1-CD 4.08Å; Y372-K376 HydrophobicContact CE1-CG 4.12Å; Y372-K376 HydrophobicContact CE2-CB 4.03Å; Y372-K376 HydrophobicContact CE2-CD 4.43Å; Y372-K376 HydrophobicContact CE2-CG 3.85Å; Y372-K376 PolarHBondContact O-N 3.12Å; K376-T380 WeakPolarHBondContact O-CG2 3.44Å
377E92.2Very high92.7Very high173 Ų17359.6 Ų59.681%0.80830%0.296SS*.THydrogen-bonded Turntrans-75.1-32.6-176.9-62.6178.8-172.300111.8N375 T380N375-E377 VanDerWaalsContact C-N 3.3Å; N375-E377 PolarHBondContact O-N 3.22Å; N375-E377 PolarHBondContact OD1-N 3.1Å; E377-T380 WeakPolarHBondContact O-CG2 3.37Å
378E91Very high92.8Very high80 Ų8060.1 Ų60.137%0.37430%0.3SS..THydrogen-bonded Turntrans-79.2-49.4172.1-176.4179.5-17300111.2N375 T380 K384 H388N375-E378 HydrophobicContact CB-CB 4.02Å; N375-E378 VanDerWaalsContact CG-CB 3.44Å; N375-E378 WeakPolarHBondContact ND2-CB 3.21Å; N375-E378 PolarHBondContact ND2-OE2 3.07Å; N375-E378 PolarHBondContact O-N 3.33Å; N375-E378 PolarHBondContact OD1-N 2.62Å; E378-T380 PolarHBondContact O-N 2.93Å; E378-K384 WeakPolarHBondContact O-CD 3.37Å; E378-H388 IonicContact OE1-CD2 3.38Å; E378-H388 PolarHBondContact OE1-CD2 3.49Å
379F94.3Very high92.7Very high1 Ų160.7 Ų60.70%0.00430%0.302CS..  trans-84.834.2-172.6-58.8-42.1000114.7T332 K371 Y372 T374 N375 T381 I385 H388T332-F379 WeakPolarHBondContact CB-O 3.4Å; T332-F379 PolarHBondContact OG1-O 3.26Å; K371-F379 HydrophobicContact CD-CE2 4.07Å; K371-F379 HydrophobicContact CD-CZ 4.29Å; K371-F379 VanDerWaalsContact CE-CZ 3.41Å; K371-F379 WeakPolarHBondContact O-CD2 3.34Å; Y372-F379 HydrophobicContact CD2-CB 3.9Å; Y372-F379 VanDerWaalsContact CD2-O 3.3Å; Y372-F379 WeakPolarHBondContact CD2-O 3.15Å; T374-F379 WeakPolarHBondContact OG1-CE2 3.45Å; N375-F379 HydrophobicContact CB-CD2 3.98Å; N375-F379 HydrophobicContact CB-CE2 3.69Å; N375-F379 HydrophobicContact CB-CZ 4.42Å; N375-F379 WeakPolarHBondContact O-CB 3.31Å; N375-F379 WeakPolarHBondContact O-CD2 3.49Å; N375-F379 WeakPolarHBondContact O-CG 3.48Å; N375-F379 PolarHBondContact O-N 2.9Å; F379-T381 PolarHBondContact O-N 3.02Å; F379-T381 VanDerWaalsContact O-N 3.15Å; F379-I385 HydrophobicContact CB-CD1 4.05Å; F379-I385 HydrophobicContact CB-CG1 3.56Å; F379-I385 HydrophobicContact CD1-CB 4.47Å; F379-I385 HydrophobicContact CD1-CG1 3.76Å; F379-I385 HydrophobicContact CG-CG1 3.77Å; F379-H388 HydrophobicContact CE1-CB 3.93Å; F379-H388 AromaticContact CE1-CD2 3.47Å; F379-H388 VanDerWaalsContact CE1-CD2 3.47Å; F379-H388 WeakPolarHBondContact CE1-CD2 3.34Å; F379-H388 AromaticContact CE1-CG 3.95Å; F379-H388 AromaticContact CZ-CD2 3.33Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.47Å; F379-H388 AromaticContact CZ-NE2 3.84Å
380T93.8Very high92.7Very high52 Ų5261.7 Ų61.732%0.31931%0.311SS..SBendtrans-59.4-26.4179.858.90000113.7P331 T332 K376 E377 E378 K384P331-T380 WeakPolarHBondContact CA-O 3.28Å; T332-T380 PolarHBondContact N-O 3.39Å; T332-T380 PolarHBondContact OG1-O 3.19Å; K376-T380 WeakPolarHBondContact O-CG2 3.44Å; E377-T380 WeakPolarHBondContact O-CG2 3.37Å; E378-T380 PolarHBondContact O-N 2.93Å; T380-K384 PolarHBondContact OG1-NZ 3.13Å
381T95.2Very high92.7Very high10 Ų1064.4 Ų64.46%0.06132%0.323CS..BIsolated β-bridgetrans-126.515317668.10000113.4L325 I330 T332 F379 Q383 K384 I385L325-T381 HydrophobicContact CD1-CG2 3.82Å; I330-T381 WeakPolarHBondContact O-CA 3.49Å; I330-T381 WeakPolarHBondContact O-CB 3.39Å; T332-T381 WeakPolarHBondContact OG1-CA 3.3Å; T332-T381 PolarHBondContact OG1-N 3.11Å; F379-T381 PolarHBondContact O-N 3.02Å; F379-T381 VanDerWaalsContact O-N 3.15Å; T381-Q383 PolarHBondContact O-N 3.01Å; T381-K384 PolarHBondContact O-N 3.15Å; T381-K384 VanDerWaalsContact O-N 3.15Å; T381-K384 WeakPolarHBondContact OG1-CG 3.4Å; T381-K384 PolarHBondContact OG1-N 2.64Å; T381-I385 PolarHBondContact O-N 3.13Å
382L94.1Very high92.6Very high8 Ų865.2 Ų65.24%0.04234%0.336CS..Hα-helixtrans-58.2-35175.1-58.7179.8000112.1I330 T332 F335 V368 I385 V386 L405I330-L382 HydrophobicContact CB-CB 4.5Å; I330-L382 HydrophobicContact CB-CD1 3.94Å; I330-L382 HydrophobicContact CB-CG 4.2Å; I330-L382 HydrophobicContact CD1-CD1 4.33Å; I330-L382 HydrophobicContact CG2-CD1 3.61Å; I330-L382 HydrophobicContact CG2-CG 4.14Å; I330-L382 PolarHBondContact O-N 2.87Å; T332-L382 HydrophobicContact CG2-CD2 4.15Å; T332-L382 PolarHBondContact OG1-N 3.38Å; F335-L382 HydrophobicContact CB-CD1 4.26Å; F335-L382 HydrophobicContact CD1-CD1 3.56Å; F335-L382 HydrophobicContact CD1-CD2 4.23Å; F335-L382 HydrophobicContact CD1-CG 4.45Å; F335-L382 HydrophobicContact CD2-CD1 4.14Å; F335-L382 HydrophobicContact CE1-CD1 3.82Å; F335-L382 HydrophobicContact CE2-CD1 4.37Å; F335-L382 HydrophobicContact CG-CD1 3.72Å; F335-L382 HydrophobicContact CZ-CD1 4.22Å; V368-L382 HydrophobicContact CG1-CD2 4.25Å; L382-I385 PolarHBondContact O-N 2.89Å; L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.13Å; L382-L405 HydrophobicContact CB-CD2 4Å; L382-L405 HydrophobicContact CD1-CD1 4.13Å; L382-L405 HydrophobicContact CD1-CD2 4.39Å
383Q95Very high92.4Very high64 Ų6470.7 Ų70.730%0.29937%0.367SS..Hα-helixtrans-59.3-48.6175.3-71.791.4-34.900111.6S328 T381 I385 V386 L387S328-Q383 PolarHBondContact O-NE2 3.02Å; T381-Q383 PolarHBondContact O-N 3.01Å; Q383-I385 VanDerWaalsContact C-N 3.32Å; Q383-I385 PolarHBondContact O-N 2.92Å; Q383-V386 PolarHBondContact O-N 3.11Å; Q383-L387 WeakPolarHBondContact O-CB 3.37Å; Q383-L387 VanDerWaalsContact O-CG 3.3Å; Q383-L387 WeakPolarHBondContact O-CG 3.45Å; Q383-L387 PolarHBondContact O-N 3.04Å
384K93.4Very high92Very high94 Ų9468.6 Ų68.641%0.40936%0.359SS..Hα-helixtrans-63.2-37.1179.7-68.9-179.9-175177.20112.6E378 T380 T381 L387 H388E378-K384 WeakPolarHBondContact O-CD 3.37Å; T380-K384 PolarHBondContact OG1-NZ 3.13Å; T381-K384 PolarHBondContact O-N 3.15Å; T381-K384 VanDerWaalsContact O-N 3.15Å; T381-K384 WeakPolarHBondContact OG1-CG 3.4Å; T381-K384 PolarHBondContact OG1-N 2.64Å; K384-L387 PolarHBondContact O-N 3.15Å; K384-H388 WeakPolarHBondContact O-CB 3.35Å; K384-H388 PolarHBondContact O-N 3.16Å
385I92.6Very high91.4Very high2 Ų264.5 Ų64.51%0.0134%0.335CS..Hα-helixtrans-58.1-50.3173.9-69.3172.5000110.9T332 V368 K371 F379 T381 L382 Q383 E389 A401T332-I385 HydrophobicContact CG2-CD1 3.72Å; V368-I385 HydrophobicContact CG1-CD1 4.18Å; K371-I385 HydrophobicContact CG-CG2 3.89Å; F379-I385 HydrophobicContact CB-CD1 4.05Å; F379-I385 HydrophobicContact CB-CG1 3.56Å; F379-I385 HydrophobicContact CD1-CB 4.47Å; F379-I385 HydrophobicContact CD1-CG1 3.76Å; F379-I385 HydrophobicContact CG-CG1 3.77Å; T381-I385 PolarHBondContact O-N 3.13Å; L382-I385 PolarHBondContact O-N 2.89Å; Q383-I385 VanDerWaalsContact C-N 3.32Å; Q383-I385 PolarHBondContact O-N 2.92Å; I385-E389 WeakPolarHBondContact O-CG 3.38Å; I385-E389 PolarHBondContact O-N 3.31Å; I385-E389 VanDerWaalsContact O-N 3.14Å; I385-A401 HydrophobicContact CG2-CB 3.48Å; I385-A401 VanDerWaalsContact CG2-CB 3.48Å
386V93.8Very high90.7Very high40 Ų4069.8 Ų69.824%0.24236%0.358CS..Hα-helixtrans-69.2-40.6-178.3174.60000111.5L382 Q383 E389 V390 T402 L405L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.13Å; Q383-V386 PolarHBondContact O-N 3.11Å; V386-E389 PolarHBondContact O-N 3.23Å; V386-V390 HydrophobicContact CG1-CG2 4.39Å; V386-V390 WeakPolarHBondContact O-CG2 3.45Å; V386-V390 PolarHBondContact O-N 3.4Å; V386-T402 HydrophobicContact CG1-CG2 4.01Å; V386-T402 HydrophobicContact CG2-CG2 4.44Å; V386-L405 HydrophobicContact CG2-CD2 3.91Å
387L92.7Very high90.1Very high97 Ų9769.2 Ų69.251%0.50836%0.362SS..Hα-helixtrans-62-49.2178.4-72.2169000111.5Q383 K384 E389 V390 E391Q383-L387 WeakPolarHBondContact O-CB 3.37Å; Q383-L387 VanDerWaalsContact O-CG 3.3Å; Q383-L387 WeakPolarHBondContact O-CG 3.45Å; Q383-L387 PolarHBondContact O-N 3.04Å; K384-L387 PolarHBondContact O-N 3.15Å; L387-E389 VanDerWaalsContact C-N 3.32Å; L387-E389 PolarHBondContact O-N 3.31Å; L387-V390 PolarHBondContact O-N 2.87Å; L387-V390 VanDerWaalsContact O-N 3.13Å; L387-E391 WeakPolarHBondContact O-CB 3.18Å; L387-E391 WeakPolarHBondContact O-CG 3.32Å; L387-E391 PolarHBondContact O-N 3.01Å
388H92.6Very high89.2Confident57 Ų5768.2 Ų68.226%0.26435%0.351SS..Hα-helixtrans-56.9-44.5173.3173.1-30.6000111.4K371 E378 F379 K384 V390 E391 A392K371-H388 PolarHBondContact NZ-CD2 2.98Å; K371-H388 PolarHBondContact NZ-CE1 2.92Å; K371-H388 VanDerWaalsContact NZ-CE1 3.27Å; K371-H388 PolarHBondContact NZ-NE2 3.06Å; E378-H388 IonicContact OE1-CD2 3.38Å; E378-H388 PolarHBondContact OE1-CD2 3.49Å; F379-H388 HydrophobicContact CE1-CB 3.93Å; F379-H388 AromaticContact CE1-CD2 3.47Å; F379-H388 VanDerWaalsContact CE1-CD2 3.47Å; F379-H388 WeakPolarHBondContact CE1-CD2 3.34Å; F379-H388 AromaticContact CE1-CG 3.95Å; F379-H388 AromaticContact CZ-CD2 3.33Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.47Å; F379-H388 AromaticContact CZ-NE2 3.84Å; K384-H388 WeakPolarHBondContact O-CB 3.35Å; K384-H388 PolarHBondContact O-N 3.16Å; H388-V390 VanDerWaalsContact C-N 3.27Å; H388-V390 PolarHBondContact O-N 2.76Å; H388-E391 PolarHBondContact O-N 3.47Å; H388-A392 VanDerWaalsContact O-CB 3.29Å; H388-A392 WeakPolarHBondContact O-CB 3.13Å; H388-A392 PolarHBondContact O-N 3.3Å
389E90.8Very high88.5Confident12 Ų1269 Ų696%0.05636%0.357CS..Hα-helixtrans-66.8-28.3-179.6-74.3-168158.900113.2I385 V386 L387 D393 V394 A395 S400 A401 T402I385-E389 WeakPolarHBondContact O-CG 3.38Å; I385-E389 PolarHBondContact O-N 3.31Å; I385-E389 VanDerWaalsContact O-N 3.14Å; V386-E389 PolarHBondContact O-N 3.23Å; L387-E389 VanDerWaalsContact C-N 3.32Å; L387-E389 PolarHBondContact O-N 3.31Å; E389-D393 PolarHBondContact O-N 3.43Å; E389-V394 HydrophobicContact CB-CG2 3.97Å; E389-V394 HydrophobicContact CG-CG2 3.93Å; E389-V394 CarbonylContact O-C 3.36Å; E389-V394 PolarHBondContact O-N 2.96Å; E389-A395 HydrophobicContact CB-CB 4.16Å; E389-A395 PolarHBondContact O-N 3.09Å; E389-S400 WeakPolarHBondContact OE2-CB 3.41Å; E389-A401 WeakPolarHBondContact OE1-CB 3.48Å; E389-A401 PolarHBondContact OE1-N 3.43Å; E389-A401 PolarHBondContact OE2-N 3.33Å; E389-A401 VanDerWaalsContact OE2-N 3.11Å; E389-T402 VanDerWaalsContact OE2-CB 3.25Å; E389-T402 WeakPolarHBondContact OE2-CB 3.36Å; E389-T402 PolarHBondContact OE2-N 3.16Å; E389-T402 PolarHBondContact OE2-OG1 2.65Å
390V90.6Very high88.2Confident87 Ų8769.3 Ų69.353%0.52736%0.36SS..Hα-helixtrans-75.9-45.7172.8169.80000111.3V386 L387 H388 A392 D393 A395V386-V390 HydrophobicContact CG1-CG2 4.39Å; V386-V390 WeakPolarHBondContact O-CG2 3.45Å; V386-V390 PolarHBondContact O-N 3.4Å; L387-V390 PolarHBondContact O-N 2.87Å; L387-V390 VanDerWaalsContact O-N 3.13Å; H388-V390 VanDerWaalsContact C-N 3.27Å; H388-V390 PolarHBondContact O-N 2.76Å; V390-A392 VanDerWaalsContact C-N 3.28Å; V390-A392 PolarHBondContact O-N 3.41Å; V390-D393 PolarHBondContact O-N 2.96Å; V390-D393 VanDerWaalsContact O-N 3.09Å; V390-A395 HydrophobicContact CG2-CB 3.85Å
391E92.5Very high88.1Confident161 Ų16167 Ų6775%0.75235%0.346SS*.Hα-helixtrans-63.8-32.1178.9-73170.7-158.800112.8L387 H388L387-E391 WeakPolarHBondContact O-CB 3.18Å; L387-E391 WeakPolarHBondContact O-CG 3.32Å; L387-E391 PolarHBondContact O-N 3.01Å; H388-E391 PolarHBondContact O-N 3.47Å
392A89.2Confident87.9Confident53 Ų5367.9 Ų67.944%0.43835%0.351SS..THydrogen-bonded Turntrans-89.45.8175.200000114.2H388 V390 V394H388-A392 VanDerWaalsContact O-CB 3.29Å; H388-A392 WeakPolarHBondContact O-CB 3.13Å; H388-A392 PolarHBondContact O-N 3.3Å; V390-A392 VanDerWaalsContact C-N 3.28Å; V390-A392 PolarHBondContact O-N 3.41Å; A392-V394 HydrophobicContact CB-CG2 4.18Å; A392-V394 PolarHBondContact O-N 3.17Å
393D87.5Confident87.6Confident136 Ų13670.6 Ų70.673%0.72736%0.364SS*.THydrogen-bonded Turntrans51.332.1-176.1-160.329.6000114.9E389 V390E389-D393 PolarHBondContact O-N 3.43Å; V390-D393 PolarHBondContact O-N 2.96Å; V390-D393 VanDerWaalsContact O-N 3.09Å
394V85.4Confident87.4Confident57 Ų5767.5 Ų67.535%0.34535%0.35SS..  trans-106.2-3.7177-63.20000113.8E389 A392 Q396 V397 S400E389-V394 HydrophobicContact CB-CG2 3.97Å; E389-V394 HydrophobicContact CG-CG2 3.93Å; E389-V394 CarbonylContact O-C 3.36Å; E389-V394 PolarHBondContact O-N 2.96Å; A392-V394 HydrophobicContact CB-CG2 4.18Å; A392-V394 PolarHBondContact O-N 3.17Å; V394-Q396 PolarHBondContact O-N 3.17Å; V394-Q396 VanDerWaalsContact O-N 3.15Å; V394-V397 HydrophobicContact CB-CB 4.41Å; V394-V397 HydrophobicContact CB-CG2 4.09Å; V394-V397 HydrophobicContact CG1-CG2 4.27Å; V394-V397 VanDerWaalsContact O-CB 3.29Å; V394-V397 WeakPolarHBondContact O-CB 3.48Å; V394-V397 PolarHBondContact O-N 2.85Å; V394-S400 WeakPolarHBondContact O-CB 3.31Å
395A77.6Confident87.4Confident10 Ų1064.2 Ų64.28%0.08334%0.336CS..THydrogen-bonded Turntrans-57.8-30.618000000113.5E389 V390 S400 T402E389-A395 HydrophobicContact CB-CB 4.16Å; E389-A395 PolarHBondContact O-N 3.09Å; V390-A395 HydrophobicContact CG2-CB 3.85Å; A395-S400 PolarHBondContact O-OG 3.34Å; A395-T402 HydrophobicContact CB-CG2 4.18Å
396Q77.1Confident87.3Confident174 Ų17468 Ų6881%0.81336%0.356SS*.THydrogen-bonded Turntrans-91.3-3.4175.4-57-57.5-41.200113.7V394V394-Q396 PolarHBondContact O-N 3.17Å; V394-Q396 VanDerWaalsContact O-N 3.15Å
397V80.4Confident87Confident86 Ų8669 Ų6952%0.52136%0.356SS..SBendtrans-70.7135.3175.11760000108.9V394 N399 S400V394-V397 HydrophobicContact CB-CB 4.41Å; V394-V397 HydrophobicContact CB-CG2 4.09Å; V394-V397 HydrophobicContact CG1-CG2 4.27Å; V394-V397 VanDerWaalsContact O-CB 3.29Å; V394-V397 WeakPolarHBondContact O-CB 3.48Å; V394-V397 PolarHBondContact O-N 2.85Å; V397-N399 PolarHBondContact O-N 3.43Å; V397-S400 VanDerWaalsContact O-CB 3.23Å; V397-S400 WeakPolarHBondContact O-CB 3.47Å; V397-S400 PolarHBondContact O-N 3.1Å; V397-S400 PolarHBondContact O-OG 3.01Å
398R72.9Confident86.9Confident151 Ų15164.4 Ų64.457%0.5733%0.331SS*.THydrogen-bonded Turntrans-58.5132.8-176.9-179178.6167.4-176.2-7.7111.9R184R184-R398 PolarHBondContact O-NH1 3.07Å
399N77.4Confident86.7Confident96 Ų9668 Ų6851%0.51335%0.347SS..THydrogen-bonded Turntrans7217.6-171.5-38.3-73.1000115.3K367 V397 E403K367-N399 HydrophobicContact CD-CB 4.39Å; V397-N399 PolarHBondContact O-N 3.43Å; N399-E403 PolarHBondContact N-OE2 2.82Å
400S88.5Confident86.6Confident9 Ų969.8 Ų69.86%0.06335%0.353CS..  trans-55.9152.8168.769.10000111.5E389 V394 A395 V397 T402 E403 A404E389-S400 WeakPolarHBondContact OE2-CB 3.41Å; V394-S400 WeakPolarHBondContact O-CB 3.31Å; A395-S400 PolarHBondContact O-OG 3.34Å; V397-S400 VanDerWaalsContact O-CB 3.23Å; V397-S400 WeakPolarHBondContact O-CB 3.47Å; V397-S400 PolarHBondContact O-N 3.1Å; V397-S400 PolarHBondContact O-OG 3.01Å; S400-T402 PolarHBondContact O-N 2.88Å; S400-E403 PolarHBondContact O-N 3.43Å; S400-E403 VanDerWaalsContact OG-CB 3.3Å; S400-E403 WeakPolarHBondContact OG-CB 3.25Å; S400-E403 PolarHBondContact OG-N 3.18Å; S400-A404 WeakPolarHBondContact O-CB 3.35Å; S400-A404 PolarHBondContact O-N 3.19Å
401A90.3Very high86.4Confident2 Ų266 Ų662%0.01733%0.331CS..Hα-helixtrans-65.4-27.3173.200000111.4V368 K371 I385 E389 A404 L405V368-A401 HydrophobicContact CG2-CB 4.45Å; K371-A401 HydrophobicContact CB-CB 3.73Å; K371-A401 HydrophobicContact CG-CB 4.06Å; I385-A401 HydrophobicContact CG2-CB 3.48Å; I385-A401 VanDerWaalsContact CG2-CB 3.48Å; E389-A401 WeakPolarHBondContact OE1-CB 3.48Å; E389-A401 PolarHBondContact OE1-N 3.43Å; E389-A401 PolarHBondContact OE2-N 3.33Å; E389-A401 VanDerWaalsContact OE2-N 3.11Å; A401-A404 PolarHBondContact O-N 2.93Å; A401-L405 WeakPolarHBondContact O-CB 3.19Å; A401-L405 PolarHBondContact O-N 3.28Å
402T90.8Very high86.2Confident29 Ų2959.8 Ų59.818%0.17830%0.303CS..Hα-helixtrans-67.4-45.9174.5-57.70000111.9V386 E389 A395 S400 A404 L405 L406V386-T402 HydrophobicContact CG1-CG2 4.01Å; V386-T402 HydrophobicContact CG2-CG2 4.44Å; E389-T402 VanDerWaalsContact OE2-CB 3.25Å; E389-T402 WeakPolarHBondContact OE2-CB 3.36Å; E389-T402 PolarHBondContact OE2-N 3.16Å; E389-T402 PolarHBondContact OE2-OG1 2.65Å; A395-T402 HydrophobicContact CB-CG2 4.18Å; S400-T402 PolarHBondContact O-N 2.88Å; T402-A404 VanDerWaalsContact C-N 3.35Å; T402-L405 PolarHBondContact O-N 2.97Å; T402-L406 WeakPolarHBondContact O-CB 3.35Å; T402-L406 PolarHBondContact O-N 3.32Å
403E88.8Confident86.1Confident65 Ų6563.7 Ų63.730%0.30431%0.31SS..Hα-helixtrans-60.4-47.1172.1-178.2-171.5-158.700110.2N399 S400 L405 L406 W407N399-E403 PolarHBondContact N-OE2 2.82Å; S400-E403 PolarHBondContact O-N 3.43Å; S400-E403 VanDerWaalsContact OG-CB 3.3Å; S400-E403 WeakPolarHBondContact OG-CB 3.25Å; S400-E403 PolarHBondContact OG-N 3.18Å; E403-L405 PolarHBondContact O-N 3.45Å; E403-L406 WeakPolarHBondContact O-CB 3.26Å; E403-L406 PolarHBondContact O-N 3.07Å; E403-W407 VanDerWaalsContact O-CD1 3.24Å; E403-W407 PolarHBondContact O-N 3.36Å; E403-W407 VanDerWaalsContact O-N 3.15Å
404A90.6Very high86.1Confident0 Ų057.4 Ų57.40%028%0.276CS..Hα-helixtrans-60.8-46.3179.600000112.6N364 K367 V368 S400 A401 T402 L406 W407 L408N364-A404 HydrophobicContact CB-CB 4.18Å; K367-A404 HydrophobicContact CB-CB 3.49Å; K367-A404 VanDerWaalsContact CB-CB 3.49Å; K367-A404 HydrophobicContact CD-CB 3.61Å; K367-A404 HydrophobicContact CG-CB 4.24Å; V368-A404 HydrophobicContact CG2-CB 3.76Å; S400-A404 WeakPolarHBondContact O-CB 3.35Å; S400-A404 PolarHBondContact O-N 3.19Å; A401-A404 PolarHBondContact O-N 2.93Å; T402-A404 VanDerWaalsContact C-N 3.35Å; A404-L406 VanDerWaalsContact C-N 3.32Å; A404-L406 PolarHBondContact O-N 3.43Å; A404-W407 PolarHBondContact O-N 3.38Å; A404-L408 WeakPolarHBondContact O-CB 3.32Å; A404-L408 PolarHBondContact O-N 3.37Å
405L92.3Very high86.1Confident25 Ų2555.8 Ų55.813%0.13127%0.265CS..Hα-helixtrans-67.7-32.7179.5-176.659.6000111.8F335 V368 L382 V386 A401 T402 E403 L408 K409F335-L405 HydrophobicContact CE1-CD1 4.02Å; V368-L405 HydrophobicContact CG2-CB 4.16Å; L382-L405 HydrophobicContact CB-CD2 4Å; L382-L405 HydrophobicContact CD1-CD1 4.13Å; L382-L405 HydrophobicContact CD1-CD2 4.39Å; V386-L405 HydrophobicContact CG2-CD2 3.91Å; A401-L405 WeakPolarHBondContact O-CB 3.19Å; A401-L405 PolarHBondContact O-N 3.28Å; T402-L405 PolarHBondContact O-N 2.97Å; E403-L405 PolarHBondContact O-N 3.45Å; L405-L408 HydrophobicContact CD1-CD2 4.39Å; L405-K409 WeakPolarHBondContact O-CB 3.49Å; L405-K409 PolarHBondContact O-N 2.95Å
406L90.6Very high86.5Confident82 Ų8262.5 Ų62.543%0.42929%0.293SS..Hα-helixtrans-61.9-45.1172.3175.261.4000111.8T402 E403 A404 R410T402-L406 WeakPolarHBondContact O-CB 3.35Å; T402-L406 PolarHBondContact O-N 3.32Å; E403-L406 WeakPolarHBondContact O-CB 3.26Å; E403-L406 PolarHBondContact O-N 3.07Å; A404-L406 VanDerWaalsContact C-N 3.32Å; A404-L406 PolarHBondContact O-N 3.43Å; L406-R410 VanDerWaalsContact O-CG 3.31Å; L406-R410 WeakPolarHBondContact O-CG 3.31Å; L406-R410 PolarHBondContact O-N 3.41Å
407W88.3Confident87Confident60 Ų6054.9 Ų54.923%0.22726%0.261CS..Hα-helixtrans-69.9-43.6175.8-73.2110.9000112.4N364 E403 A404 K409 R410 G411 H444 H445N364-W407 VanDerWaalsContact ND2-CB 3.31Å; N364-W407 WeakPolarHBondContact ND2-CB 3.2Å; E403-W407 VanDerWaalsContact O-CD1 3.24Å; E403-W407 PolarHBondContact O-N 3.36Å; E403-W407 VanDerWaalsContact O-N 3.15Å; A404-W407 PolarHBondContact O-N 3.38Å; W407-K409 VanDerWaalsContact C-N 3.32Å; W407-K409 PolarHBondContact O-N 3.37Å; W407-R410 VanDerWaalsContact CE2-NH1 3.32Å; W407-R410 WeakPolarHBondContact O-CA 3.46Å; W407-R410 WeakPolarHBondContact O-CB 3.22Å; W407-R410 PolarHBondContact O-N 3Å; W407-G411 PolarHBondContact O-N 3.32Å; W407-H444 HydrophobicContact CH2-CB 4.2Å; W407-H444 HydrophobicContact CZ3-CB 4.02Å; W407-H445 AromaticContact CZ3-CD2 3.91Å
408L90Very high87.3Confident0 Ų051 Ų510%024%0.237CC..Hα-helixtrans-55.8-45174.1-176.154.6000111.6F335 L336 C339 L361 N364 I365 A404 L405 R410 G411 L412F335-L408 HydrophobicContact CE1-CD2 3.91Å; F335-L408 HydrophobicContact CE1-CG 4.41Å; L336-L408 HydrophobicContact CD2-CD2 4.18Å; C339-L408 HydrophobicContact CB-CD1 4.31Å; L361-L408 HydrophobicContact CD1-CD1 3.46Å; L361-L408 VanDerWaalsContact CD1-CD1 3.46Å; L361-L408 HydrophobicContact CG-CD1 4.15Å; N364-L408 HydrophobicContact CB-CB 4.31Å; I365-L408 HydrophobicContact CG1-CD1 4.16Å; I365-L408 HydrophobicContact CG1-CD2 4.2Å; A404-L408 WeakPolarHBondContact O-CB 3.32Å; A404-L408 PolarHBondContact O-N 3.37Å; L405-L408 HydrophobicContact CD1-CD2 4.39Å; L408-R410 VanDerWaalsContact C-N 3.3Å; L408-R410 PolarHBondContact O-N 3.48Å; L408-G411 PolarHBondContact O-N 3.14Å; L408-L412 HydrophobicContact CD1-CD1 4.37Å; L408-L412 HydrophobicContact CD1-CG 4.39Å; L408-L412 HydrophobicContact CG-CD1 4.24Å; L408-L412 VanDerWaalsContact O-CG 3.31Å; L408-L412 WeakPolarHBondContact O-CG 3.47Å; L408-L412 PolarHBondContact O-N 3.39Å
409K89.8Confident87.9Confident134 Ų13446 Ų4658%0.58322%0.222SC*.Hα-helixtrans-62.5-31174.3-177.1173.1-177.6171.10113.3L405 W407 K413L405-K409 WeakPolarHBondContact O-CB 3.49Å; L405-K409 PolarHBondContact O-N 2.95Å; W407-K409 VanDerWaalsContact C-N 3.32Å; W407-K409 PolarHBondContact O-N 3.37Å; K409-K413 WeakPolarHBondContact O-CG 3.4Å; K409-K413 PolarHBondContact O-N 3.17Å
410R88.9Confident88.4Confident49 Ų4944 Ų4419%0.18521%0.213CC..Hα-helixtrans-73.9-44.4173.2-69.6164.8172.7163.53.6111.4L406 W407 L408 K413 F414 L441 H444L406-R410 VanDerWaalsContact O-CG 3.31Å; L406-R410 WeakPolarHBondContact O-CG 3.31Å; L406-R410 PolarHBondContact O-N 3.41Å; W407-R410 VanDerWaalsContact CE2-NH1 3.32Å; W407-R410 WeakPolarHBondContact O-CA 3.46Å; W407-R410 WeakPolarHBondContact O-CB 3.22Å; W407-R410 PolarHBondContact O-N 3Å; L408-R410 VanDerWaalsContact C-N 3.3Å; L408-R410 PolarHBondContact O-N 3.48Å; R410-K413 WeakPolarHBondContact O-CB 3.32Å; R410-K413 PolarHBondContact O-N 3.17Å; R410-F414 PolarHBondContact O-N 2.88Å; R410-L441 HydrophobicContact CB-CD2 3.78Å; R410-H444 VanDerWaalsContact CD-CD2 3.47Å; R410-H444 WeakPolarHBondContact CD-CD2 3.39Å; R410-H444 PolarHBondContact NE-CD2 2.75Å; R410-H444 VanDerWaalsContact NE-CD2 3.31Å; R410-H444 VanDerWaalsContact NE-CG 3.35Å
411G85.6Confident88.5Confident7 Ų745 Ų457%0.07222%0.217CC..Hα-helixtrans-60.7-44.2175.800000112.9W407 L408 K413 F414 L415W407-G411 PolarHBondContact O-N 3.32Å; L408-G411 PolarHBondContact O-N 3.14Å; G411-K413 PolarHBondContact O-N 2.89Å; G411-F414 WeakPolarHBondContact O-CB 3.37Å; G411-F414 PolarHBondContact O-N 3.44Å; G411-L415 PolarHBondContact O-N 3.41Å
412L87.5Confident88.2Confident31 Ų3147.5 Ų47.516%0.16223%0.231CC..Hα-helixtrans-65.4-35.6175.4-67.2170.3000112.7F319 F335 L408 L415 K416F319-L412 HydrophobicContact CE2-CD2 4.28Å; F319-L412 HydrophobicContact CZ-CD1 4.44Å; F319-L412 HydrophobicContact CZ-CD2 3.74Å; F335-L412 HydrophobicContact CE1-CD1 4.36Å; F335-L412 HydrophobicContact CE2-CD1 4.15Å; F335-L412 HydrophobicContact CZ-CD1 3.55Å; L408-L412 HydrophobicContact CD1-CD1 4.37Å; L408-L412 HydrophobicContact CD1-CG 4.39Å; L408-L412 HydrophobicContact CG-CD1 4.24Å; L408-L412 VanDerWaalsContact O-CG 3.31Å; L408-L412 WeakPolarHBondContact O-CG 3.47Å; L408-L412 PolarHBondContact O-N 3.39Å; L412-L415 HydrophobicContact CD2-CD2 4.49Å; L412-L415 PolarHBondContact O-N 3.49Å; L412-K416 WeakPolarHBondContact O-CB 3.37Å; L412-K416 PolarHBondContact O-N 2.84Å
413K88Confident88Confident135 Ų13554.8 Ų54.859%0.58726%0.261SS*.Hα-helixtrans-62.1-42.9171.5-85.1-173.7173.6-167.90111.9K409 R410 G411 K416 G417 T440K409-K413 WeakPolarHBondContact O-CG 3.4Å; K409-K413 PolarHBondContact O-N 3.17Å; R410-K413 WeakPolarHBondContact O-CB 3.32Å; R410-K413 PolarHBondContact O-N 3.17Å; G411-K413 PolarHBondContact O-N 2.89Å; K413-K416 PolarHBondContact O-N 3.42Å; K413-G417 PolarHBondContact O-N 2.9Å; K413-T440 HydrophobicContact CB-CG2 4.31Å
414F87.4Confident88.1Confident3 Ų357.4 Ų57.41%0.01328%0.277CS..Hα-helixtrans-61-50.7175162.6-108.5000111.8V357 R410 G411 K416 G417 F418 L433 A436 Y437 T440 L441V357-F414 HydrophobicContact CG1-CD1 4.44Å; V357-F414 HydrophobicContact CG1-CE1 4.28Å; V357-F414 HydrophobicContact CG2-CE1 4.06Å; R410-F414 PolarHBondContact O-N 2.88Å; G411-F414 WeakPolarHBondContact O-CB 3.37Å; G411-F414 PolarHBondContact O-N 3.44Å; F414-K416 VanDerWaalsContact C-N 3.34Å; F414-K416 PolarHBondContact O-N 3.36Å; F414-G417 WeakPolarHBondContact O-CA 3.3Å; F414-G417 PolarHBondContact O-N 2.87Å; F414-F418 PolarHBondContact O-N 2.89Å; F414-L433 HydrophobicContact CE2-CD2 3.95Å; F414-L433 HydrophobicContact CE2-CG 4.4Å; F414-L433 HydrophobicContact CZ-CD2 3.67Å; F414-L433 HydrophobicContact CZ-CG 3.95Å; F414-A436 HydrophobicContact CD2-CB 3.94Å; F414-A436 HydrophobicContact CE2-CB 3.94Å; F414-Y437 HydrophobicContact CE2-CD2 4.48Å; F414-T440 WeakPolarHBondContact CA-OG1 3.41Å; F414-T440 WeakPolarHBondContact CB-OG1 3.36Å; F414-L441 HydrophobicContact CB-CD1 3.51Å; F414-L441 HydrophobicContact CB-CG 3.81Å; F414-L441 HydrophobicContact CD1-CD1 3.79Å; F414-L441 HydrophobicContact CD2-CD1 4.21Å; F414-L441 HydrophobicContact CG-CD1 3.56Å; F414-L441 HydrophobicContact CG-CG 4.31Å
415L84.8Confident87.9Confident23 Ų2359.8 Ų59.812%0.1230%0.302CS..Hα-helixtrans-55-48.1176-178.576.7000111.6V342 L346 G411 L412 G417 F418 L419V342-L415 HydrophobicContact CB-CD2 4.34Å; V342-L415 HydrophobicContact CG1-CD1 4.08Å; V342-L415 HydrophobicContact CG1-CD2 3.58Å; V342-L415 HydrophobicContact CG1-CG 4.47Å; V342-L415 HydrophobicContact CG2-CD2 3.72Å; L346-L415 HydrophobicContact CD2-CD1 4.4Å; G411-L415 PolarHBondContact O-N 3.41Å; L412-L415 HydrophobicContact CD2-CD2 4.49Å; L412-L415 PolarHBondContact O-N 3.49Å; L415-G417 VanDerWaalsContact C-N 3.28Å; L415-G417 PolarHBondContact O-N 2.94Å; L415-F418 PolarHBondContact O-N 2.96Å; L415-L419 HydrophobicContact CD1-CD1 4.17Å; L415-L419 HydrophobicContact CD1-CG 4.38Å; L415-L419 HydrophobicContact CG-CD1 3.99Å; L415-L419 HydrophobicContact CG-CG 4.44Å; L415-L419 WeakPolarHBondContact O-CB 3.37Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.48Å
416K87.5Confident87.6Confident151 Ų15161.8 Ų61.866%0.65731%0.31SS*.Hα-helixtrans-61-38.6177.8-155.6-151.777.5159.20111.6L412 K413 F414 T420L412-K416 WeakPolarHBondContact O-CB 3.37Å; L412-K416 PolarHBondContact O-N 2.84Å; K413-K416 PolarHBondContact O-N 3.42Å; F414-K416 VanDerWaalsContact C-N 3.34Å; F414-K416 PolarHBondContact O-N 3.36Å; K416-T420 WeakPolarHBondContact O-CB 3.27Å; K416-T420 PolarHBondContact O-N 3.08Å; K416-T420 VanDerWaalsContact O-N 3.1Å; K416-T420 PolarHBondContact O-OG1 2.94Å
417G87.6Confident87.2Confident15 Ų1567.1 Ų67.116%0.15533%0.33CS..Hα-helixtrans-59.3-57.1173.400000111.4K413 F414 L415 L419 T420 E421K413-G417 PolarHBondContact O-N 2.9Å; F414-G417 WeakPolarHBondContact O-CA 3.3Å; F414-G417 PolarHBondContact O-N 2.87Å; L415-G417 VanDerWaalsContact C-N 3.28Å; L415-G417 PolarHBondContact O-N 2.94Å; G417-L419 PolarHBondContact O-N 2.99Å; G417-T420 WeakPolarHBondContact O-CA 3.46Å; G417-T420 VanDerWaalsContact O-CB 3.31Å; G417-T420 WeakPolarHBondContact O-CB 3.45Å; G417-T420 PolarHBondContact O-N 2.98Å; G417-E421 PolarHBondContact O-N 2.84Å
418F85.8Confident87Confident3 Ų367.6 Ų67.61%0.01334%0.337CS..Hα-helixtrans-55.2-49.8-178.8168-102.7000112.3L349 F354 F414 L415 T420 E421 V422 I429 A432 L433 A436L349-F418 HydrophobicContact CD1-CE1 3.74Å; L349-F418 HydrophobicContact CD1-CZ 4.29Å; F354-F418 HydrophobicContact CZ-CE1 4.45Å; F354-F418 HydrophobicContact CZ-CZ 4.18Å; F414-F418 PolarHBondContact O-N 2.89Å; L415-F418 PolarHBondContact O-N 2.96Å; F418-T420 PolarHBondContact O-N 3.12Å; F418-E421 PolarHBondContact O-N 3.48Å; F418-V422 HydrophobicContact CD2-CG2 4.47Å; F418-V422 HydrophobicContact CE1-CG2 4.4Å; F418-V422 HydrophobicContact CE2-CG2 4Å; F418-V422 HydrophobicContact CZ-CG2 3.96Å; F418-V422 WeakPolarHBondContact O-CG2 3.49Å; F418-V422 PolarHBondContact O-N 2.85Å; F418-V422 VanDerWaalsContact O-N 3.11Å; F418-I429 HydrophobicContact CE2-CG2 4.02Å; F418-I429 HydrophobicContact CZ-CD1 4.42Å; F418-I429 HydrophobicContact CZ-CG2 4.1Å; F418-A432 HydrophobicContact CD2-CB 3.88Å; F418-A432 HydrophobicContact CE2-CB 3.86Å; F418-L433 HydrophobicContact CD2-CB 4.18Å; F418-L433 HydrophobicContact CE2-CB 4.33Å; F418-A436 HydrophobicContact CB-CB 3.76Å
419L84.9Confident86.5Confident47 Ų4770.6 Ų70.625%0.24635%0.353CS..Hα-helixtrans-66.2-22177.2-64.1179.7000113.1F312 L415 G417 K423F312-L419 HydrophobicContact CE1-CD1 3.74Å; F312-L419 HydrophobicContact CE1-CD2 4.4Å; F312-L419 HydrophobicContact CZ-CD1 3.93Å; F312-L419 HydrophobicContact CZ-CD2 3.76Å; F312-L419 HydrophobicContact CZ-CG 4.48Å; L415-L419 HydrophobicContact CD1-CD1 4.17Å; L415-L419 HydrophobicContact CD1-CG 4.38Å; L415-L419 HydrophobicContact CG-CD1 3.99Å; L415-L419 HydrophobicContact CG-CG 4.44Å; L415-L419 WeakPolarHBondContact O-CB 3.37Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.48Å; G417-L419 PolarHBondContact O-N 2.99Å; L419-K423 WeakPolarHBondContact O-CB 3.4Å; L419-K423 PolarHBondContact O-N 3.49Å
420T89.2Confident85.9Confident53 Ų5365.9 Ų65.933%0.32533%0.333SS..Hα-helixtrans-76.4-42172.3-56.40000111.5K416 G417 F418 K423 N424K416-T420 WeakPolarHBondContact O-CB 3.27Å; K416-T420 PolarHBondContact O-N 3.08Å; K416-T420 VanDerWaalsContact O-N 3.1Å; K416-T420 PolarHBondContact O-OG1 2.94Å; G417-T420 WeakPolarHBondContact O-CA 3.46Å; G417-T420 VanDerWaalsContact O-CB 3.31Å; G417-T420 WeakPolarHBondContact O-CB 3.45Å; G417-T420 PolarHBondContact O-N 2.98Å; F418-T420 PolarHBondContact O-N 3.12Å; T420-K423 PolarHBondContact O-N 3.04Å; T420-N424 WeakPolarHBondContact O-CB 3.38Å; T420-N424 PolarHBondContact O-N 2.83Å; T420-N424 PolarHBondContact O-ND2 3.09Å; T420-N424 PolarHBondContact O-OD1 3.43Å
421E89.4Confident85.5Confident31 Ų3166.1 Ų66.115%0.14534%0.34CS..Hα-helixtrans-59.6-48.7174.9-47.8-63164.800110.2G417 F418 K423 N424 G425 E426 A432 N435 K439G417-E421 PolarHBondContact O-N 2.84Å; F418-E421 PolarHBondContact O-N 3.48Å; E421-K423 PolarHBondContact O-N 3.31Å; E421-N424 PolarHBondContact O-N 3.16Å; E421-N424 VanDerWaalsContact O-N 3.14Å; E421-G425 PolarHBondContact O-N 3.33Å; E421-E426 HydrophobicContact CB-CB 4.28Å; E421-E426 VanDerWaalsContact O-CB 3.31Å; E421-E426 WeakPolarHBondContact O-CB 3.24Å; E421-E426 PolarHBondContact O-N 2.87Å; E421-A432 HydrophobicContact CB-CB 3.87Å; E421-A432 HydrophobicContact CG-CB 4.49Å; E421-N435 HydrophobicContact CG-CB 4.22Å; E421-K439 IonicContact OE1-NZ 2.63Å; E421-K439 PolarHBondContact OE1-NZ 3.46Å; E421-K439 IonicContact OE2-NZ 2.67Å; E421-K439 PolarHBondContact OE2-NZ 3.33Å
422V85.2Confident85.5Confident54 Ų5465.8 Ų65.833%0.32734%0.336SS..Hα-helixtrans-61.7-44.2177.6176.90000111.6F418 N424 G425 I429 A432F418-V422 HydrophobicContact CD2-CG2 4.47Å; F418-V422 HydrophobicContact CE1-CG2 4.4Å; F418-V422 HydrophobicContact CE2-CG2 4Å; F418-V422 HydrophobicContact CZ-CG2 3.96Å; F418-V422 WeakPolarHBondContact O-CG2 3.49Å; F418-V422 PolarHBondContact O-N 2.85Å; F418-V422 VanDerWaalsContact O-N 3.11Å; V422-N424 PolarHBondContact O-N 3.43Å; V422-G425 PolarHBondContact O-N 3.39Å; V422-G425 VanDerWaalsContact O-N 3.07Å; V422-I429 HydrophobicContact CG2-CD1 4.28Å; V422-A432 HydrophobicContact CG2-CB 3.95Å
423K86.8Confident85.3Confident182 Ų18264.6 Ų64.679%0.79133%0.33SS*.Hα-helixtrans-61.1-32.9175.5178.3177.8176.2-179.10112.7L419 T420 E421 G425L419-K423 WeakPolarHBondContact O-CB 3.4Å; L419-K423 PolarHBondContact O-N 3.49Å; T420-K423 PolarHBondContact O-N 3.04Å; E421-K423 PolarHBondContact O-N 3.31Å; K423-G425 PolarHBondContact O-N 3.44Å
424N90.3Very high85Confident120 Ų12061.2 Ų61.264%0.64232%0.318SS*.THydrogen-bonded Turntrans-77.60.6178.4-67.6-10.6000113.2T420 E421 V422T420-N424 WeakPolarHBondContact O-CB 3.38Å; T420-N424 PolarHBondContact O-N 2.83Å; T420-N424 PolarHBondContact O-ND2 3.09Å; T420-N424 PolarHBondContact O-OD1 3.43Å; E421-N424 PolarHBondContact O-N 3.16Å; E421-N424 VanDerWaalsContact O-N 3.14Å; V422-N424 PolarHBondContact O-N 3.43Å
425G85.9Confident84.9Confident51 Ų5164.1 Ų64.153%0.52633%0.334SS..THydrogen-bonded Turntrans99.511.3175.100000115.1E421 V422 K423 K427E421-G425 PolarHBondContact O-N 3.33Å; V422-G425 PolarHBondContact O-N 3.39Å; V422-G425 VanDerWaalsContact O-N 3.07Å; K423-G425 PolarHBondContact O-N 3.44Å; G425-K427 PolarHBondContact O-N 2.8Å
426E87.2Confident85Confident67 Ų6763 Ų6331%0.31333%0.328SS..  trans-62.4128168.3-177.454-88.300109.9E421 D428 T431 A432E421-E426 HydrophobicContact CB-CB 4.28Å; E421-E426 VanDerWaalsContact O-CB 3.31Å; E421-E426 WeakPolarHBondContact O-CB 3.24Å; E421-E426 PolarHBondContact O-N 2.87Å; E426-D428 WeakPolarHBondContact CG-O 3.38Å; E426-D428 PolarHBondContact OE1-N 3.33Å; E426-T431 VanDerWaalsContact OE2-CG2 3.32Å; E426-T431 WeakPolarHBondContact OE2-CG2 3.47Å; E426-A432 HydrophobicContact CB-CB 4.41Å; E426-A432 HydrophobicContact CG-CB 3.8Å
427K81.9Confident84.8Confident193 Ų19356.5 Ų56.584%0.83930%0.299SS*.  trans-102.6-26.4-176.3-64.9-177.8-178.51780112.2G425 I429G425-K427 PolarHBondContact O-N 2.8Å; K427-I429 PolarHBondContact O-N 3.43Å
428D82.8Confident84.6Confident70 Ų7057.6 Ų57.637%0.37431%0.311SS..  trans-85.7109.9171.5174.726.8000110.5E426 Q430 T431 A432E426-D428 WeakPolarHBondContact CG-O 3.38Å; E426-D428 PolarHBondContact OE1-N 3.33Å; D428-Q430 PolarHBondContact O-N 3.27Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.33Å; D428-Q430 PolarHBondContact OD1-N 2.84Å; D428-T431 VanDerWaalsContact CG-N 3.35Å; D428-T431 PolarHBondContact O-N 2.87Å; D428-T431 WeakPolarHBondContact OD2-CB 3.46Å; D428-T431 PolarHBondContact OD2-N 2.95Å; D428-T431 PolarHBondContact OD2-OG1 2.77Å; D428-A432 PolarHBondContact O-N 2.84Å
429I80Confident84.7Confident64 Ų6463.8 Ų63.833%0.32834%0.338SS..Hα-helixtrans-57.5-35.3175.3-59.7-57.2000111.3F418 V422 K427 A432 L433F418-I429 HydrophobicContact CE2-CG2 4.02Å; F418-I429 HydrophobicContact CZ-CD1 4.42Å; F418-I429 HydrophobicContact CZ-CG2 4.1Å; V422-I429 HydrophobicContact CG2-CD1 4.28Å; K427-I429 PolarHBondContact O-N 3.43Å; I429-A432 PolarHBondContact O-N 3.3Å; I429-L433 WeakPolarHBondContact O-CB 3.32Å; I429-L433 PolarHBondContact O-N 2.76Å
430Q77Confident84.8Confident35 Ų3562.5 Ų62.516%0.16433%0.332CS..Hα-helixtrans-73.6-38.6-179-59.3-65.327.800112D428 L433 N434 H456 T457 V459D428-Q430 PolarHBondContact O-N 3.27Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.33Å; D428-Q430 PolarHBondContact OD1-N 2.84Å; Q430-L433 PolarHBondContact O-N 3.47Å; Q430-N434 WeakPolarHBondContact O-CB 3.36Å; Q430-N434 PolarHBondContact O-N 3.09Å; Q430-N434 PolarHBondContact O-ND2 2.84Å; Q430-H456 PolarHBondContact NE2-O 3.07Å; Q430-T457 VanDerWaalsContact CD-O 3.29Å; Q430-T457 WeakPolarHBondContact CG-O 3.4Å; Q430-T457 PolarHBondContact NE2-O 3.35Å; Q430-V459 PolarHBondContact NE2-OXT 3.42Å
431T81.8Confident84.4Confident54 Ų5460.3 Ų60.333%0.33132%0.318SS..Hα-helixtrans-64.3-45170.2-67.70000111.4E426 D428 L433 N434 N435E426-T431 VanDerWaalsContact OE2-CG2 3.32Å; E426-T431 WeakPolarHBondContact OE2-CG2 3.47Å; D428-T431 VanDerWaalsContact CG-N 3.35Å; D428-T431 PolarHBondContact O-N 2.87Å; D428-T431 WeakPolarHBondContact OD2-CB 3.46Å; D428-T431 PolarHBondContact OD2-N 2.95Å; D428-T431 PolarHBondContact OD2-OG1 2.77Å; T431-L433 VanDerWaalsContact C-N 3.34Å; T431-L433 PolarHBondContact O-N 3.25Å; T431-N434 PolarHBondContact O-N 3.45Å; T431-N435 WeakPolarHBondContact CG2-ND2 3.38Å; T431-N435 VanDerWaalsContact O-CB 3.26Å; T431-N435 WeakPolarHBondContact O-CB 3.43Å; T431-N435 VanDerWaalsContact O-CG 3.27Å; T431-N435 PolarHBondContact O-N 3.46Å; T431-N435 PolarHBondContact O-ND2 3.23Å
432A85Confident83.9Confident0 Ų065.6 Ų65.60%034%0.337CS..Hα-helixtrans-57.5-44.8173.900000112.3F418 E421 V422 E426 D428 I429 A436F418-A432 HydrophobicContact CD2-CB 3.88Å; F418-A432 HydrophobicContact CE2-CB 3.86Å; E421-A432 HydrophobicContact CB-CB 3.87Å; E421-A432 HydrophobicContact CG-CB 4.49Å; V422-A432 HydrophobicContact CG2-CB 3.95Å; E426-A432 HydrophobicContact CB-CB 4.41Å; E426-A432 HydrophobicContact CG-CB 3.8Å; D428-A432 PolarHBondContact O-N 2.84Å; I429-A432 PolarHBondContact O-N 3.3Å; A432-A436 VanDerWaalsContact O-CB 3.28Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 3.05Å
433L81.9Confident83.8Confident5 Ų569.4 Ų69.43%0.02635%0.351CS..Hα-helixtrans-67.1-46.7-179.4-158170.5000110.8F354 F414 F418 I429 Q430 T431 A436 Y437 T457F354-L433 HydrophobicContact CD1-CD1 4.47Å; F354-L433 HydrophobicContact CE1-CD1 3.61Å; F354-L433 HydrophobicContact CE1-CG 4.16Å; F354-L433 HydrophobicContact CZ-CD1 3.66Å; F354-L433 HydrophobicContact CZ-CG 4.42Å; F414-L433 HydrophobicContact CE2-CD2 3.95Å; F414-L433 HydrophobicContact CE2-CG 4.4Å; F414-L433 HydrophobicContact CZ-CD2 3.67Å; F414-L433 HydrophobicContact CZ-CG 3.95Å; F418-L433 HydrophobicContact CD2-CB 4.18Å; F418-L433 HydrophobicContact CE2-CB 4.33Å; I429-L433 WeakPolarHBondContact O-CB 3.32Å; I429-L433 PolarHBondContact O-N 2.76Å; Q430-L433 PolarHBondContact O-N 3.47Å; T431-L433 VanDerWaalsContact C-N 3.34Å; T431-L433 PolarHBondContact O-N 3.25Å; L433-A436 PolarHBondContact O-N 3.48Å; L433-Y437 WeakPolarHBondContact O-CB 3.15Å; L433-Y437 PolarHBondContact O-N 3.01Å; L433-T457 HydrophobicContact CD1-CG2 4.26Å; L433-T457 HydrophobicContact CD2-CG2 3.81Å; L433-T457 HydrophobicContact CG-CG2 4.41Å
434N81.9Confident83.3Confident65 Ų6564 Ų6435%0.34833%0.329SS..Hα-helixtrans-62.4-44.6176.6-85.7-62000112.7Q430 T431 Y437 G438 T457Q430-N434 WeakPolarHBondContact O-CB 3.36Å; Q430-N434 PolarHBondContact O-N 3.09Å; Q430-N434 PolarHBondContact O-ND2 2.84Å; T431-N434 PolarHBondContact O-N 3.45Å; N434-Y437 PolarHBondContact O-N 3.4Å; N434-G438 PolarHBondContact O-N 3.39Å; N434-T457 VanDerWaalsContact ND2-CB 3.32Å; N434-T457 WeakPolarHBondContact ND2-CB 3.1Å; N434-T457 PolarHBondContact ND2-OG1 2.74Å
435N86.9Confident82.4Confident64 Ų6459.6 Ų59.634%0.34230%0.304SS..Hα-helixtrans-60.1-48.6176.3-78.5-25000111.1E421 T431 K439E421-N435 HydrophobicContact CG-CB 4.22Å; T431-N435 WeakPolarHBondContact CG2-ND2 3.38Å; T431-N435 VanDerWaalsContact O-CB 3.26Å; T431-N435 WeakPolarHBondContact O-CB 3.43Å; T431-N435 VanDerWaalsContact O-CG 3.27Å; T431-N435 PolarHBondContact O-N 3.46Å; T431-N435 PolarHBondContact O-ND2 3.23Å; N435-K439 WeakPolarHBondContact O-CB 3.49Å; N435-K439 WeakPolarHBondContact O-CD 3.3Å; N435-K439 WeakPolarHBondContact O-CG 3.39Å; N435-K439 PolarHBondContact O-N 2.94Å; N435-K439 VanDerWaalsContact O-N 3.17Å
436A87Confident80.8Confident0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-62.3-45.5177.100000112.4F414 F418 A432 L433 K439 T440F414-A436 HydrophobicContact CD2-CB 3.94Å; F414-A436 HydrophobicContact CE2-CB 3.94Å; F418-A436 HydrophobicContact CB-CB 3.76Å; A432-A436 VanDerWaalsContact O-CB 3.28Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 3.05Å; L433-A436 PolarHBondContact O-N 3.48Å; A436-K439 PolarHBondContact O-N 3.25Å; A436-T440 WeakPolarHBondContact O-CB 3.48Å; A436-T440 WeakPolarHBondContact O-CG2 3.48Å; A436-T440 PolarHBondContact O-N 3.38Å; A436-T440 PolarHBondContact O-OG1 2.85Å
437Y83.3Confident78.8Confident13 Ų1361.1 Ų61.15%0.05130%0.302CS..Hα-helixtrans-61.9-46.5179.9-177.3-100.7000111.6F414 L433 N434 K439 T440 L441 R442 H445 R450 F453F414-Y437 HydrophobicContact CE2-CD2 4.48Å; L433-Y437 WeakPolarHBondContact O-CB 3.15Å; L433-Y437 PolarHBondContact O-N 3.01Å; N434-Y437 PolarHBondContact O-N 3.4Å; Y437-K439 VanDerWaalsContact C-N 3.28Å; Y437-K439 PolarHBondContact O-N 2.83Å; Y437-T440 PolarHBondContact O-N 2.99Å; Y437-T440 VanDerWaalsContact O-N 3.12Å; Y437-L441 HydrophobicContact CD2-CB 3.77Å; Y437-L441 HydrophobicContact CD2-CD1 4.46Å; Y437-L441 HydrophobicContact CE2-CB 3.73Å; Y437-L441 PolarHBondContact O-N 2.84Å; Y437-L441 VanDerWaalsContact O-N 3.15Å; Y437-R442 HydrophobicContact CD1-CB 3.78Å; Y437-R442 HydrophobicContact CD1-CG 4.29Å; Y437-R442 HydrophobicContact CE1-CB 3.64Å; Y437-R442 HydrophobicContact CE1-CG 3.94Å; Y437-R442 VanDerWaalsContact O-CB 3.3Å; Y437-R442 WeakPolarHBondContact O-CB 3.23Å; Y437-R442 PolarHBondContact O-N 2.83Å; Y437-H445 AromaticContact CE2-CE1 3.93Å; Y437-H445 AromaticContact CE2-ND1 3.4Å; Y437-H445 WeakPolarHBondContact CE2-ND1 3.31Å; Y437-H445 AromaticContact CZ-ND1 3.55Å; Y437-H445 PolarHBondContact OH-ND1 2.81Å; Y437-R450 WeakPolarHBondContact OH-CA 3.43Å; Y437-F453 HydrophobicContact CD2-CB 4.33Å; Y437-F453 AromaticContact CD2-CD1 3.34Å; Y437-F453 HydrophobicContact CD2-CD1 3.34Å; Y437-F453 AromaticContact CD2-CE1 3.62Å; Y437-F453 HydrophobicContact CD2-CE1 3.62Å; Y437-F453 AromaticContact CD2-CG 3.84Å; Y437-F453 HydrophobicContact CD2-CG 3.84Å; Y437-F453 HydrophobicContact CD2-CZ 4.33Å; Y437-F453 HydrophobicContact CE1-CB 4.2Å; Y437-F453 HydrophobicContact CE2-CB 3.76Å; Y437-F453 AromaticContact CE2-CD1 3.21Å; Y437-F453 HydrophobicContact CE2-CD1 3.21Å; Y437-F453 AromaticContact CE2-CD2 3.59Å; Y437-F453 HydrophobicContact CE2-CD2 3.59Å; Y437-F453 AromaticContact CE2-CE1 3.54Å; Y437-F453 HydrophobicContact CE2-CE1 3.54Å; Y437-F453 AromaticContact CE2-CE2 3.89Å; Y437-F453 HydrophobicContact CE2-CE2 3.89Å; Y437-F453 AromaticContact CE2-CG 3.22Å; Y437-F453 HydrophobicContact CE2-CG 3.22Å; Y437-F453 AromaticContact CE2-CZ 3.86Å; Y437-F453 HydrophobicContact CE2-CZ 3.86Å; Y437-F453 HydrophobicContact CG-CD1 4.24Å; Y437-F453 AromaticContact CZ-CD2 3.97Å; Y437-F453 AromaticContact CZ-CG 3.64Å
438G82.6Confident77.1Confident38 Ų3856.2 Ų56.239%0.39229%0.288SS..Hα-helixtrans-58.1-39.7177.600000112.9N434N434-G438 PolarHBondContact O-N 3.39Å
439K87.3Confident75.8Confident133 Ų13355.9 Ų55.958%0.57829%0.288SS*.THydrogen-bonded Turntrans-78.3-9.1178.4-65.2166.1-167.6176.30114.3E421 N435 A436 Y437E421-K439 IonicContact OE1-NZ 2.63Å; E421-K439 PolarHBondContact OE1-NZ 3.46Å; E421-K439 IonicContact OE2-NZ 2.67Å; E421-K439 PolarHBondContact OE2-NZ 3.33Å; N435-K439 WeakPolarHBondContact O-CB 3.49Å; N435-K439 WeakPolarHBondContact O-CD 3.3Å; N435-K439 WeakPolarHBondContact O-CG 3.39Å; N435-K439 PolarHBondContact O-N 2.94Å; N435-K439 VanDerWaalsContact O-N 3.17Å; A436-K439 PolarHBondContact O-N 3.25Å; Y437-K439 VanDerWaalsContact C-N 3.28Å; Y437-K439 PolarHBondContact O-N 2.83Å
440T87.5Confident75Confident21 Ų2157.3 Ų57.313%0.12929%0.29CS..THydrogen-bonded Turntrans-139.3-76-168.260.90000115.4K413 F414 A436 Y437 Q443K413-T440 HydrophobicContact CB-CG2 4.31Å; F414-T440 WeakPolarHBondContact CA-OG1 3.41Å; F414-T440 WeakPolarHBondContact CB-OG1 3.36Å; A436-T440 WeakPolarHBondContact O-CB 3.48Å; A436-T440 WeakPolarHBondContact O-CG2 3.48Å; A436-T440 PolarHBondContact O-N 3.38Å; A436-T440 PolarHBondContact O-OG1 2.85Å; Y437-T440 PolarHBondContact O-N 2.99Å; Y437-T440 VanDerWaalsContact O-N 3.12Å; T440-Q443 WeakPolarHBondContact O-CG 3.44Å
441L80.1Confident73.6Confident7 Ų757.4 Ų57.44%0.03730%0.3CS..THydrogen-bonded Turntrans-80.3-30.5-171.7-81.3169.4000113.1R410 F414 Y437 Q443 H444 H445 F453R410-L441 HydrophobicContact CB-CD2 3.78Å; F414-L441 HydrophobicContact CB-CD1 3.51Å; F414-L441 HydrophobicContact CB-CG 3.81Å; F414-L441 HydrophobicContact CD1-CD1 3.79Å; F414-L441 HydrophobicContact CD2-CD1 4.21Å; F414-L441 HydrophobicContact CG-CD1 3.56Å; F414-L441 HydrophobicContact CG-CG 4.31Å; Y437-L441 HydrophobicContact CD2-CB 3.77Å; Y437-L441 HydrophobicContact CD2-CD1 4.46Å; Y437-L441 HydrophobicContact CE2-CB 3.73Å; Y437-L441 PolarHBondContact O-N 2.84Å; Y437-L441 VanDerWaalsContact O-N 3.15Å; L441-Q443 PolarHBondContact O-N 3.29Å; L441-Q443 VanDerWaalsContact O-N 3.13Å; L441-H444 PolarHBondContact O-N 2.82Å; L441-H445 PolarHBondContact O-N 2.59Å; L441-H445 VanDerWaalsContact O-N 3.11Å; L441-F453 HydrophobicContact CD1-CE1 4.42Å; L441-F453 HydrophobicContact CD1-CZ 4.2Å
442R80.6Confident72.5Confident142 Ų14257.8 Ų57.854%0.53630%0.302SS..THydrogen-bonded Turntrans-51.9-39.9-176-173.4174.6178.8-114.26.2113.3Y437 H444 R450Y437-R442 HydrophobicContact CD1-CB 3.78Å; Y437-R442 HydrophobicContact CD1-CG 4.29Å; Y437-R442 HydrophobicContact CE1-CB 3.64Å; Y437-R442 HydrophobicContact CE1-CG 3.94Å; Y437-R442 VanDerWaalsContact O-CB 3.3Å; Y437-R442 WeakPolarHBondContact O-CB 3.23Å; Y437-R442 PolarHBondContact O-N 2.83Å; R442-H444 VanDerWaalsContact C-N 3.27Å; R442-H444 PolarHBondContact O-N 2.91Å; R442-R450 VanDerWaalsContact O-CZ 3.27Å; R442-R450 PolarHBondContact O-NE 3.3Å; R442-R450 PolarHBondContact O-NH2 3.31Å
443Q81.1Confident71.3Confident134 Ų13458.9 Ų58.963%0.62631%0.307SS*.THydrogen-bonded Turntrans-69.4-20.6179.674.1-170.50.100114T440 L441T440-Q443 WeakPolarHBondContact O-CG 3.44Å; L441-Q443 PolarHBondContact O-N 3.29Å; L441-Q443 VanDerWaalsContact O-N 3.13Å
444H76.4Confident70.1Confident69 Ų6960.5 Ų60.532%0.31932%0.321SS..THydrogen-bonded Turntrans-101.4-17.9-179-59.2-50.9000113.2W407 R410 L441 R442W407-H444 HydrophobicContact CH2-CB 4.2Å; W407-H444 HydrophobicContact CZ3-CB 4.02Å; R410-H444 VanDerWaalsContact CD-CD2 3.47Å; R410-H444 WeakPolarHBondContact CD-CD2 3.39Å; R410-H444 PolarHBondContact NE-CD2 2.75Å; R410-H444 VanDerWaalsContact NE-CD2 3.31Å; R410-H444 VanDerWaalsContact NE-CG 3.35Å; L441-H444 PolarHBondContact O-N 2.82Å; R442-H444 VanDerWaalsContact C-N 3.27Å; R442-H444 PolarHBondContact O-N 2.91Å
445H71.4Confident68.5Low26 Ų2659.5 Ų59.512%0.1233%0.325CS..SBendtrans-88.6132.2178.9-70.8164.1000112.4W407 Y437 L441 V449 R450 F453W407-H445 AromaticContact CZ3-CD2 3.91Å; Y437-H445 AromaticContact CE2-CE1 3.93Å; Y437-H445 AromaticContact CE2-ND1 3.4Å; Y437-H445 WeakPolarHBondContact CE2-ND1 3.31Å; Y437-H445 AromaticContact CZ-ND1 3.55Å; Y437-H445 PolarHBondContact OH-ND1 2.81Å; L441-H445 PolarHBondContact O-N 2.59Å; L441-H445 VanDerWaalsContact O-N 3.11Å; H445-V449 HydrophobicContact CB-CB 4Å; H445-V449 HydrophobicContact CB-CG1 3.94Å; H445-R450 HydrophobicContact CB-CG 4.13Å; H445-R450 VanDerWaalsContact O-CZ 3.25Å; H445-R450 PolarHBondContact O-NE 2.91Å; H445-R450 PolarHBondContact O-NH2 2.93Å; H445-R450 VanDerWaalsContact O-NH2 3.13Å; H445-F453 AromaticContact CE1-CE2 3.5Å; H445-F453 AromaticContact CE1-CZ 3.85Å; H445-F453 AromaticContact ND1-CE2 3.87Å
446G53Low66.9Low35 Ų3559.3 Ų59.336%0.36132%0.322SS..  trans-66167.8165.200000112V448 V449 R450G446-V448 PolarHBondContact O-N 3.07Å; G446-V449 PolarHBondContact O-N 2.87Å; G446-V449 VanDerWaalsContact O-N 3.15Å; G446-R450 PolarHBondContact O-N 3.02Å
447W44.8Very low65.1Low115 Ų11559.7 Ų59.744%0.43633%0.325SS..Hα-helixtrans-62-39.8-167.7172.287.3000113.4P66 G67 E68 V449 R450 G451P66-W447 HydrophobicContact CB-CE3 4.41Å; P66-W447 HydrophobicContact CB-CH2 3.71Å; P66-W447 HydrophobicContact CB-CZ2 4.43Å; P66-W447 HydrophobicContact CB-CZ3 3.7Å; P66-W447 VanDerWaalsContact O-CD2 3.27Å; P66-W447 WeakPolarHBondContact O-CZ3 3.43Å; G67-W447 WeakPolarHBondContact O-CB 3.41Å; E68-W447 HydrophobicContact CG-CB 3.77Å; W447-V449 VanDerWaalsContact C-N 3.28Å; W447-V449 PolarHBondContact O-N 3.16Å; W447-R450 CarbonylContact O-C 3.58Å; W447-R450 WeakPolarHBondContact O-CA 3.45Å; W447-R450 WeakPolarHBondContact O-CB 3.5Å; W447-R450 PolarHBondContact O-N 2.97Å; W447-G451 PolarHBondContact O-N 3.38Å
448V46.6Very low63.1Low91 Ų9165.3 Ų65.355%0.55236%0.356SS*.Hα-helixtrans-57.4-43.4178.1-178.20000111G446 G451 V452G446-V448 PolarHBondContact O-N 3.07Å; V448-G451 PolarHBondContact O-N 2.85Å; V448-V452 WeakPolarHBondContact O-CG2 3.48Å; V448-V452 PolarHBondContact O-N 3.38Å
449V55.3Low60.9Low62 Ų6271 Ų7138%0.37638%0.382SS..Hα-helixtrans-71.9-32.6178.5-176.20000111.2H445 G446 W447 G451 V452 F453H445-V449 HydrophobicContact CB-CB 4Å; H445-V449 HydrophobicContact CB-CG1 3.94Å; G446-V449 PolarHBondContact O-N 2.87Å; G446-V449 VanDerWaalsContact O-N 3.15Å; W447-V449 VanDerWaalsContact C-N 3.28Å; W447-V449 PolarHBondContact O-N 3.16Å; V449-G451 VanDerWaalsContact C-N 3.34Å; V449-V452 PolarHBondContact O-N 2.88Å; V449-F453 HydrophobicContact CG1-CD2 4.09Å; V449-F453 HydrophobicContact CG1-CE2 4.07Å; V449-F453 WeakPolarHBondContact O-CD2 3.49Å; V449-F453 PolarHBondContact O-N 2.83Å; V449-F453 VanDerWaalsContact O-N 3.09Å
450R63Low59.6Low95 Ų9567.9 Ų67.936%0.35837%0.373SS..Hα-helixtrans-63.1-40169.2-64.1175.5-175.6165.45.8112Y437 R442 H445 G446 W447 F453 A454Y437-R450 WeakPolarHBondContact OH-CA 3.43Å; R442-R450 VanDerWaalsContact O-CZ 3.27Å; R442-R450 PolarHBondContact O-NE 3.3Å; R442-R450 PolarHBondContact O-NH2 3.31Å; H445-R450 HydrophobicContact CB-CG 4.13Å; H445-R450 VanDerWaalsContact O-CZ 3.25Å; H445-R450 PolarHBondContact O-NE 2.91Å; H445-R450 PolarHBondContact O-NH2 2.93Å; H445-R450 VanDerWaalsContact O-NH2 3.13Å; G446-R450 PolarHBondContact O-N 3.02Å; W447-R450 CarbonylContact O-C 3.58Å; W447-R450 WeakPolarHBondContact O-CA 3.45Å; W447-R450 WeakPolarHBondContact O-CB 3.5Å; W447-R450 PolarHBondContact O-N 2.97Å; R450-F453 PolarHBondContact O-N 3.35Å; R450-A454 WeakPolarHBondContact O-CB 3.02Å; R450-A454 PolarHBondContact O-N 2.96Å
451G49.2Very low58.1Low37 Ų3770.3 Ų70.338%0.38139%0.385SS..Hα-helixtrans-63.3-42.4174.400000112.7W447 V448 V449 A454 G455W447-G451 PolarHBondContact O-N 3.38Å; V448-G451 PolarHBondContact O-N 2.85Å; V449-G451 VanDerWaalsContact C-N 3.34Å; G451-A454 PolarHBondContact O-N 3.38Å; G451-G455 PolarHBondContact O-N 3.03Å
452V58.2Low56.9Low61 Ų6173.8 Ų73.837%0.3741%0.405SS..Hα-helixtrans-59.8-48.6174171.80000111.1P356 V448 V449 G455 H456P356-V452 HydrophobicContact CB-CG1 4.43Å; P356-V452 HydrophobicContact CG-CG1 3.97Å; V448-V452 WeakPolarHBondContact O-CG2 3.48Å; V448-V452 PolarHBondContact O-N 3.38Å; V449-V452 PolarHBondContact O-N 2.88Å; V452-G455 PolarHBondContact O-N 2.78Å; V452-H456 PolarHBondContact O-N 2.85Å; V452-H456 PolarHBondContact O-ND1 3.43Å
453F59.5Low55.5Low24 Ų2469.8 Ų69.811%0.10540%0.397CS..Hα-helixtrans-62.4-48.3177.5-87.6-102.3000111.9V357 Y437 L441 H445 V449 R450 G455 H456 T457V357-F453 HydrophobicContact CG2-CE1 3.66Å; V357-F453 HydrophobicContact CG2-CZ 3.71Å; Y437-F453 HydrophobicContact CD2-CB 4.33Å; Y437-F453 AromaticContact CD2-CD1 3.34Å; Y437-F453 HydrophobicContact CD2-CD1 3.34Å; Y437-F453 AromaticContact CD2-CE1 3.62Å; Y437-F453 HydrophobicContact CD2-CE1 3.62Å; Y437-F453 AromaticContact CD2-CG 3.84Å; Y437-F453 HydrophobicContact CD2-CG 3.84Å; Y437-F453 HydrophobicContact CD2-CZ 4.33Å; Y437-F453 HydrophobicContact CE1-CB 4.2Å; Y437-F453 HydrophobicContact CE2-CB 3.76Å; Y437-F453 AromaticContact CE2-CD1 3.21Å; Y437-F453 HydrophobicContact CE2-CD1 3.21Å; Y437-F453 AromaticContact CE2-CD2 3.59Å; Y437-F453 HydrophobicContact CE2-CD2 3.59Å; Y437-F453 AromaticContact CE2-CE1 3.54Å; Y437-F453 HydrophobicContact CE2-CE1 3.54Å; Y437-F453 AromaticContact CE2-CE2 3.89Å; Y437-F453 HydrophobicContact CE2-CE2 3.89Å; Y437-F453 AromaticContact CE2-CG 3.22Å; Y437-F453 HydrophobicContact CE2-CG 3.22Å; Y437-F453 AromaticContact CE2-CZ 3.86Å; Y437-F453 HydrophobicContact CE2-CZ 3.86Å; Y437-F453 HydrophobicContact CG-CD1 4.24Å; Y437-F453 AromaticContact CZ-CD2 3.97Å; Y437-F453 AromaticContact CZ-CG 3.64Å; L441-F453 HydrophobicContact CD1-CE1 4.42Å; L441-F453 HydrophobicContact CD1-CZ 4.2Å; H445-F453 AromaticContact CE1-CE2 3.5Å; H445-F453 AromaticContact CE1-CZ 3.85Å; H445-F453 AromaticContact ND1-CE2 3.87Å; V449-F453 HydrophobicContact CG1-CD2 4.09Å; V449-F453 HydrophobicContact CG1-CE2 4.07Å; V449-F453 WeakPolarHBondContact O-CD2 3.49Å; V449-F453 PolarHBondContact O-N 2.83Å; V449-F453 VanDerWaalsContact O-N 3.09Å; R450-F453 PolarHBondContact O-N 3.35Å; F453-G455 VanDerWaalsContact C-N 3.29Å; F453-G455 PolarHBondContact O-N 2.59Å; F453-H456 PolarHBondContact O-N 2.84Å; F453-H456 VanDerWaalsContact O-N 3.09Å; F453-T457 PolarHBondContact O-N 3.29Å; F453-T457 VanDerWaalsContact O-N 3.16Å
454A55.5Low53.9Low39 Ų3965.8 Ų65.832%0.32238%0.383SS..Hα-helixtrans-62.1-34.1179.100000113.3R450 G451 H456 T457 N458R450-A454 WeakPolarHBondContact O-CB 3.02Å; R450-A454 PolarHBondContact O-N 2.96Å; G451-A454 PolarHBondContact O-N 3.38Å; A454-H456 VanDerWaalsContact C-N 3.28Å; A454-H456 PolarHBondContact O-N 3.02Å; A454-T457 WeakPolarHBondContact CA-OG1 3.48Å; A454-T457 PolarHBondContact O-N 3.14Å; A454-T457 PolarHBondContact O-OG1 3.16Å; A454-T457 VanDerWaalsContact O-OG1 3.08Å; A454-N458 PolarHBondContact O-N 2.65Å; A454-N458 PolarHBondContact O-ND2 2.69Å; A454-N458 PolarHBondContact O-OD1 3.06Å
455G49.4Very low52.4Low43 Ų4365.6 Ų65.644%0.44339%0.387SS..Hα-helixtrans-68.7-23.5175.600000114G451 V452 F453G451-G455 PolarHBondContact O-N 3.03Å; V452-G455 PolarHBondContact O-N 2.78Å; F453-G455 VanDerWaalsContact C-N 3.29Å; F453-G455 PolarHBondContact O-N 2.59Å
456H53.3Low51.1Low60 Ų6068.4 Ų68.428%0.27841%0.406SS..Hα-helixtrans-94.3-9.2174.9-67.878.4000113.1T352 V353 Q430 V452 F453 A454T352-H456 PolarHBondContact O-CD2 3.18Å; V353-H456 HydrophobicContact CB-CB 4.14Å; V353-H456 HydrophobicContact CG1-CB 4.27Å; V353-H456 WeakPolarHBondContact CG1-O 3.38Å; Q430-H456 PolarHBondContact NE2-O 3.07Å; V452-H456 PolarHBondContact O-N 2.85Å; V452-H456 PolarHBondContact O-ND1 3.43Å; F453-H456 PolarHBondContact O-N 2.84Å; F453-H456 VanDerWaalsContact O-N 3.09Å; A454-H456 VanDerWaalsContact C-N 3.28Å; A454-H456 PolarHBondContact O-N 3.02Å
457T49.9Very low50.9Low8 Ų871 Ų715%0.04941%0.409CS..Hα-helixtrans-95.9-9.9173.359.70000114.6Q430 L433 N434 F453 A454Q430-T457 VanDerWaalsContact CD-O 3.29Å; Q430-T457 WeakPolarHBondContact CG-O 3.4Å; Q430-T457 PolarHBondContact NE2-O 3.35Å; L433-T457 HydrophobicContact CD1-CG2 4.26Å; L433-T457 HydrophobicContact CD2-CG2 3.81Å; L433-T457 HydrophobicContact CG-CG2 4.41Å; N434-T457 VanDerWaalsContact ND2-CB 3.32Å; N434-T457 WeakPolarHBondContact ND2-CB 3.1Å; N434-T457 PolarHBondContact ND2-OG1 2.74Å; F453-T457 PolarHBondContact O-N 3.29Å; F453-T457 VanDerWaalsContact O-N 3.16Å; A454-T457 WeakPolarHBondContact CA-OG1 3.48Å; A454-T457 PolarHBondContact O-N 3.14Å; A454-T457 PolarHBondContact O-OG1 3.16Å; A454-T457 VanDerWaalsContact O-OG1 3.08Å
458N41Very low51.4Low131 Ų13167.3 Ų67.370%0.70141%0.407SS*.  trans-108.125.3-175.1-63.5-0.7000112A454A454-N458 PolarHBondContact O-N 2.65Å; A454-N458 PolarHBondContact O-ND2 2.69Å; A454-N458 PolarHBondContact O-OD1 3.06Å
459V36.2Very low51.9Low157 Ų15765.2 Ų65.295%0.95239%0.394SS*.  trans-134.80177.3-174.80000108Q430Q430-V459 PolarHBondContact NE2-OXT 3.42Å

Retrieved 459 of 459 residues in 242.4 ms (Link to these results)

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