A0A087XT67_POEFO Loading...

Cyclin-J-like protein

Essential for the control of the cell cycle at the G2/M (mitosis) transition.

AlphaFold DB , UniProt , Accession A0A087XT67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 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
1M31.9Very low58.4Low239 Ų239133.1 Ų133.1100%1.17762%0.622SS**  080.40-163.1-177-67.800106R3M1-R3 PolarHBondContact O-N 3.19Å
2E33.7Very low60.1Low190 Ų190131.3 Ų131.389%0.88862%0.619SS**  trans-67129.1-172.3-83.1166.6139.500110.3E4E2-E4 VanDerWaalsContact C-N 3.28Å; E2-E4 PolarHBondContact O-N 3.37Å
3R35.5Very low61.5Low240 Ų240121.8 Ų121.891%0.90658%0.576SS**  trans-73.488173.1-64.3-178.6-166.5-167.33.7107.5M1 L5M1-R3 PolarHBondContact O-N 3.19Å; R3-L5 PolarHBondContact O-N 2.79Å
4E46.1Very low63.2Low113 Ų113117.9 Ų117.953%0.52857%0.569SS.*  trans-45.6127.3160.3-65.8-178.3177.200108E2 Q6 R102E2-E4 VanDerWaalsContact C-N 3.28Å; E2-E4 PolarHBondContact O-N 3.37Å; E4-Q6 PolarHBondContact O-N 2.84Å; E4-R102 IonicContact OE2-CZ 2.86Å; E4-R102 IonicContact OE2-NE 3.62Å; E4-R102 IonicContact OE2-NH2 3.93Å; E4-R102 PolarHBondContact OE2-NH2 3.03Å
5L51Low64.4Low135 Ų135116.3 Ų116.371%0.70756%0.564SS**  trans-61105178.6-96.694.7000108.9R3 W7R3-L5 PolarHBondContact O-N 2.79Å; L5-W7 PolarHBondContact O-N 2.97Å
6Q68.3Low65.5Low83 Ų83112.1 Ų112.139%0.38855%0.545SS..  trans-65.3102174.5-70.9-178.7-11.400108.3E4 W8 K9E4-Q6 PolarHBondContact O-N 2.84Å; Q6-W8 HydrophobicContact CB-CD2 3.91Å; Q6-W8 HydrophobicContact CB-CE3 4.39Å; Q6-W8 HydrophobicContact CB-CG 4.47Å; Q6-W8 HydrophobicContact CB-CH2 4.18Å; Q6-W8 HydrophobicContact CB-CZ2 3.66Å; Q6-W8 HydrophobicContact CG-CH2 3.94Å; Q6-W8 HydrophobicContact CG-CZ2 3.42Å; Q6-W8 VanDerWaalsContact CG-CZ2 3.42Å; Q6-W8 PolarHBondContact O-N 3.34Å; Q6-K9 HydrophobicContact CB-CB 4.43Å; Q6-K9 HydrophobicContact CB-CD 4.1Å; Q6-K9 HydrophobicContact CB-CG 4.12Å; Q6-K9 WeakPolarHBondContact O-CB 3.4Å; Q6-K9 PolarHBondContact O-N 3.35Å
7W72.3Confident66.8Low60 Ų60106.2 Ų106.223%0.22752%0.516CS..G310 helixtrans-55.9-31.8-172.570.1-98.6000112.4L5 K9 G10 A13 I16 L20 H196 Y200L5-W7 PolarHBondContact O-N 2.97Å; W7-K9 PolarHBondContact O-N 3.19Å; W7-G10 PolarHBondContact O-N 3.37Å; W7-A13 HydrophobicContact CE3-CB 4.43Å; W7-A13 HydrophobicContact CZ3-CB 4.39Å; W7-I16 HydrophobicContact CB-CD1 4.44Å; W7-I16 HydrophobicContact CD2-CG2 4.16Å; W7-I16 HydrophobicContact CE3-CB 3.9Å; W7-I16 HydrophobicContact CE3-CD1 3.96Å; W7-I16 HydrophobicContact CE3-CG2 3.6Å; W7-I16 HydrophobicContact CH2-CG2 4.19Å; W7-I16 HydrophobicContact CZ3-CB 3.88Å; W7-I16 HydrophobicContact CZ3-CG2 3.62Å; W7-L20 HydrophobicContact CH2-CD1 4.38Å; W7-L20 HydrophobicContact CZ2-CD1 4.46Å; W7-H196 WeakPolarHBondContact CZ2-O 3.49Å; W7-Y200 HydrophobicContact CH2-CD2 4.07Å; W7-Y200 HydrophobicContact CH2-CG 4.01Å; W7-Y200 HydrophobicContact CZ3-CD2 4.06Å; W7-Y200 HydrophobicContact CZ3-CG 4.45Å
8W73.3Confident67.9Low38 Ų38106.6 Ų106.614%0.14452%0.517CS..G310 helixtrans-67.2-11.2177.355.895.1000114.4Q6 A13 D199 Y200Q6-W8 HydrophobicContact CB-CD2 3.91Å; Q6-W8 HydrophobicContact CB-CE3 4.39Å; Q6-W8 HydrophobicContact CB-CG 4.47Å; Q6-W8 HydrophobicContact CB-CH2 4.18Å; Q6-W8 HydrophobicContact CB-CZ2 3.66Å; Q6-W8 HydrophobicContact CG-CH2 3.94Å; Q6-W8 HydrophobicContact CG-CZ2 3.42Å; Q6-W8 VanDerWaalsContact CG-CZ2 3.42Å; Q6-W8 PolarHBondContact O-N 3.34Å; W8-A13 WeakPolarHBondContact O-CB 3.42Å; W8-D199 HydrophobicContact CD2-CB 3.65Å; W8-D199 HydrophobicContact CE3-CB 3.76Å; W8-D199 HydrophobicContact CG-CB 4.33Å; W8-D199 HydrophobicContact CH2-CB 3.62Å; W8-D199 WeakPolarHBondContact CH2-OD2 3.43Å; W8-D199 HydrophobicContact CZ2-CB 3.51Å; W8-D199 HydrophobicContact CZ3-CB 3.75Å; W8-Y200 HydrophobicContact CB-CD2 3.69Å; W8-Y200 HydrophobicContact CB-CG 4.31Å
9K74.3Confident68.8Low133 Ų133103.8 Ų103.858%0.57851%0.509SS*.G310 helixtrans-98.3-5.6172-64-174.1171.2167.20113Q6 W7Q6-K9 HydrophobicContact CB-CB 4.43Å; Q6-K9 HydrophobicContact CB-CD 4.1Å; Q6-K9 HydrophobicContact CB-CG 4.12Å; Q6-K9 WeakPolarHBondContact O-CB 3.4Å; Q6-K9 PolarHBondContact O-N 3.35Å; W7-K9 PolarHBondContact O-N 3.19Å
10G75.4Confident69.7Low38 Ų3899.8 Ų99.839%0.39249%0.49SS..SBendtrans-80.4163.3-179.700000112.9W7 L12 A13W7-G10 PolarHBondContact O-N 3.37Å; G10-L12 PolarHBondContact O-N 3.3Å; G10-A13 WeakPolarHBondContact O-CB 3.48Å; G10-A13 PolarHBondContact O-N 2.75Å; G10-A13 VanDerWaalsContact O-N 3.1Å
11Q80.6Confident70.7Confident195 Ų19597.6 Ų97.691%0.91148%0.476SS*.THydrogen-bonded Turntrans-63.2-28.4177.3-67.1176.3-5.100112.8A13Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 3.01Å
12L78.8Confident73.5Confident111 Ų11190.3 Ų90.358%0.58144%0.441SS*.THydrogen-bonded Turntrans-82.92.9176.5-9572.2000113.9G10 S14 D15 I16G10-L12 PolarHBondContact O-N 3.3Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 3.17Å; L12-D15 PolarHBondContact O-N 3.18Å; L12-D15 VanDerWaalsContact O-N 3.11Å; L12-I16 HydrophobicContact CB-CD1 4.05Å; L12-I16 HydrophobicContact CB-CG1 4.33Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.24Å; L12-I16 PolarHBondContact O-N 3.21Å
13A78.3Confident76Confident8 Ų885.6 Ų85.67%0.06642%0.418CS..Hα-helixtrans-58.1-40.4-172.600000113W7 W8 G10 Q11 H17 Y200W7-A13 HydrophobicContact CE3-CB 4.43Å; W7-A13 HydrophobicContact CZ3-CB 4.39Å; W8-A13 WeakPolarHBondContact O-CB 3.42Å; G10-A13 WeakPolarHBondContact O-CB 3.48Å; G10-A13 PolarHBondContact O-N 2.75Å; G10-A13 VanDerWaalsContact O-N 3.1Å; Q11-A13 VanDerWaalsContact C-N 3.29Å; Q11-A13 PolarHBondContact O-N 3.01Å; A13-H17 VanDerWaalsContact O-CB 3.28Å; A13-H17 WeakPolarHBondContact O-CB 3.05Å; A13-H17 PolarHBondContact O-N 3.16Å; A13-Y200 HydrophobicContact CB-CD2 4.28Å; A13-Y200 HydrophobicContact CB-CE2 3.81Å
14S84.9Confident78.8Confident67 Ų6774.6 Ų74.647%0.46938%0.377SS..Hα-helixtrans-64.8-43176.6-170.70000112.2L12 H17 Q18L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 3.17Å; S14-H17 PolarHBondContact O-N 3.11Å; S14-Q18 WeakPolarHBondContact O-CB 3.38Å; S14-Q18 PolarHBondContact O-N 3.07Å
15D81.8Confident81.1Confident94 Ų9474 Ų7450%0.50338%0.377SS..Hα-helixtrans-68.3-40.7-179.5-59.8-32000111.5L12 Q18 S19L12-D15 PolarHBondContact O-N 3.18Å; L12-D15 VanDerWaalsContact O-N 3.11Å; D15-Q18 PolarHBondContact O-N 2.85Å; D15-S19 WeakPolarHBondContact O-CB 3.38Å; D15-S19 PolarHBondContact O-N 3.11Å
16I82Confident83Confident50 Ų5075.8 Ų75.826%0.25638%0.379SS..Hα-helixtrans-62.6-47.1174.6-66.3166.5000109.6W7 L12 Q18 S19 L20W7-I16 HydrophobicContact CB-CD1 4.44Å; W7-I16 HydrophobicContact CD2-CG2 4.16Å; W7-I16 HydrophobicContact CE3-CB 3.9Å; W7-I16 HydrophobicContact CE3-CD1 3.96Å; W7-I16 HydrophobicContact CE3-CG2 3.6Å; W7-I16 HydrophobicContact CH2-CG2 4.19Å; W7-I16 HydrophobicContact CZ3-CB 3.88Å; W7-I16 HydrophobicContact CZ3-CG2 3.62Å; L12-I16 HydrophobicContact CB-CD1 4.05Å; L12-I16 HydrophobicContact CB-CG1 4.33Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.24Å; L12-I16 PolarHBondContact O-N 3.21Å; I16-Q18 PolarHBondContact O-N 3.19Å; I16-S19 WeakPolarHBondContact O-CB 3.47Å; I16-S19 PolarHBondContact O-N 3.17Å; I16-L20 HydrophobicContact CG2-CD1 4.13Å; I16-L20 HydrophobicContact CG2-CG 4.49Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 3.31Å
17H87.1Confident84.1Confident12 Ų1273.4 Ų73.46%0.05637%0.368CS..Hα-helixtrans-57.4-49.3176.3174.5-101.8000111.4A13 S14 S19 L20 R21 F197 Y200 Y201A13-H17 VanDerWaalsContact O-CB 3.28Å; A13-H17 WeakPolarHBondContact O-CB 3.05Å; A13-H17 PolarHBondContact O-N 3.16Å; S14-H17 PolarHBondContact O-N 3.11Å; H17-S19 VanDerWaalsContact C-N 3.33Å; H17-S19 PolarHBondContact O-N 3.1Å; H17-L20 WeakPolarHBondContact O-CB 3.33Å; H17-L20 PolarHBondContact O-N 3.29Å; H17-R21 VanDerWaalsContact O-CG 3.31Å; H17-R21 WeakPolarHBondContact O-CG 3.29Å; H17-R21 PolarHBondContact O-N 3.04Å; H17-F197 AromaticContact CD2-CD1 3.72Å; H17-F197 AromaticContact CD2-CE1 3.92Å; H17-F197 AromaticContact NE2-CD1 3.96Å; H17-Y200 HydrophobicContact CB-CD1 4.17Å; H17-Y200 HydrophobicContact CB-CE1 3.77Å; H17-Y200 AromaticContact CD2-CD1 3.46Å; H17-Y200 VanDerWaalsContact CD2-CD1 3.46Å; H17-Y200 WeakPolarHBondContact CD2-CD1 3.35Å; H17-Y200 AromaticContact CD2-CE1 3.51Å; H17-Y200 AromaticContact CG-CD1 3.85Å; H17-Y200 AromaticContact CG-CE1 3.46Å; H17-Y200 VanDerWaalsContact CG-CE1 3.46Å; H17-Y200 AromaticContact ND1-CE1 3.94Å; H17-Y200 AromaticContact NE2-CE1 3.98Å; H17-Y201 AromaticContact CD2-CE1 3.79Å; H17-Y201 AromaticContact NE2-CE1 3.24Å; H17-Y201 WeakPolarHBondContact NE2-CE1 3.37Å; H17-Y201 AromaticContact NE2-CZ 3.47Å; H17-Y201 PolarHBondContact NE2-OH 3.4Å
18Q87.1Confident85Confident113 Ų11373.1 Ų73.153%0.52837%0.374SS..Hα-helixtrans-61.3-40.8178-173173.58.300112.2S14 D15 I16 L20 R21 I22S14-Q18 WeakPolarHBondContact O-CB 3.38Å; S14-Q18 PolarHBondContact O-N 3.07Å; D15-Q18 PolarHBondContact O-N 2.85Å; I16-Q18 PolarHBondContact O-N 3.19Å; Q18-L20 PolarHBondContact O-N 3.4Å; Q18-R21 WeakPolarHBondContact O-CB 3.44Å; Q18-R21 PolarHBondContact O-N 2.89Å; Q18-I22 HydrophobicContact CG-CD1 4.19Å; Q18-I22 WeakPolarHBondContact O-CG1 3.43Å; Q18-I22 PolarHBondContact O-N 3.06Å
19S85.9Confident85.8Confident53 Ų5376.6 Ų76.637%0.37140%0.399SS..Hα-helixtrans-61.1-43.5175-1740000112D15 I16 H17 I22 K23D15-S19 WeakPolarHBondContact O-CB 3.38Å; D15-S19 PolarHBondContact O-N 3.11Å; I16-S19 WeakPolarHBondContact O-CB 3.47Å; I16-S19 PolarHBondContact O-N 3.17Å; H17-S19 VanDerWaalsContact C-N 3.33Å; H17-S19 PolarHBondContact O-N 3.1Å; S19-I22 PolarHBondContact O-N 2.65Å; S19-K23 WeakPolarHBondContact O-CG 3.22Å; S19-K23 PolarHBondContact O-N 3.46Å
20L86.4Confident86.7Confident24 Ų2471.1 Ų71.113%0.12638%0.375CS..Hα-helixtrans-63.1-40.9174.2-67.4170.1000111.6W7 I16 H17 Q18 I22 K23 E24 P192 H196 F197W7-L20 HydrophobicContact CH2-CD1 4.38Å; W7-L20 HydrophobicContact CZ2-CD1 4.46Å; I16-L20 HydrophobicContact CG2-CD1 4.13Å; I16-L20 HydrophobicContact CG2-CG 4.49Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 3.31Å; H17-L20 WeakPolarHBondContact O-CB 3.33Å; H17-L20 PolarHBondContact O-N 3.29Å; Q18-L20 PolarHBondContact O-N 3.4Å; L20-I22 VanDerWaalsContact C-N 3.33Å; L20-I22 PolarHBondContact O-N 2.87Å; L20-K23 PolarHBondContact O-N 3.29Å; L20-E24 PolarHBondContact O-N 2.91Å; L20-P192 HydrophobicContact CD2-CB 4.18Å; L20-H196 HydrophobicContact CD1-CB 4.31Å; L20-F197 HydrophobicContact CB-CE1 3.62Å; L20-F197 HydrophobicContact CB-CE2 4.46Å; L20-F197 HydrophobicContact CB-CZ 3.53Å; L20-F197 HydrophobicContact CD1-CE1 4.42Å
21R91.3Very high87.5Confident53 Ų5377.6 Ų77.620%0.239%0.388CS..Hα-helixtrans-63.2-35.2175.3-68-63.6-63.2-79.68.7112.9H17 Q18 E24 L25 F197 S250 T278 Y280H17-R21 VanDerWaalsContact O-CG 3.31Å; H17-R21 WeakPolarHBondContact O-CG 3.29Å; H17-R21 PolarHBondContact O-N 3.04Å; Q18-R21 WeakPolarHBondContact O-CB 3.44Å; Q18-R21 PolarHBondContact O-N 2.89Å; R21-E24 VanDerWaalsContact CD-OE1 3.29Å; R21-E24 WeakPolarHBondContact CD-OE1 3.44Å; R21-E24 IonicContact CZ-OE1 3.22Å; R21-E24 IonicContact NE-OE1 3.64Å; R21-E24 PolarHBondContact NE-OE1 3.12Å; R21-E24 WeakPolarHBondContact O-CG 3.37Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-F197 HydrophobicContact CG-CE1 4.04Å; R21-S250 VanDerWaalsContact CD-CB 3.49Å; R21-S250 PolarHBondContact NE-OG 3.3Å; R21-T278 PolarHBondContact NH1-O 3.46Å; R21-Y280 PolarHBondContact NH2-OH 2.74Å
22I88.8Confident88Confident87 Ų8770 Ų7045%0.44636%0.358SS..Hα-helixtrans-72.5-39.2174.6-67.9165000110.6Q18 S19 L20 L25Q18-I22 HydrophobicContact CG-CD1 4.19Å; Q18-I22 WeakPolarHBondContact O-CG1 3.43Å; Q18-I22 PolarHBondContact O-N 3.06Å; S19-I22 PolarHBondContact O-N 2.65Å; L20-I22 VanDerWaalsContact C-N 3.33Å; L20-I22 PolarHBondContact O-N 2.87Å; I22-L25 PolarHBondContact O-N 3.26Å
23K87.6Confident88.4Confident91 Ų9170.5 Ų70.540%0.39636%0.362SS..Hα-helixtrans-66.4-38.3178.8-75.2178.1-178.8-178.40112.8S19 L20 L25 K26 P192S19-K23 WeakPolarHBondContact O-CG 3.22Å; S19-K23 PolarHBondContact O-N 3.46Å; L20-K23 PolarHBondContact O-N 3.29Å; K23-L25 PolarHBondContact O-N 3.46Å; K23-K26 PolarHBondContact O-N 2.88Å; K23-P192 HydrophobicContact CB-CG 4.05Å
24E94.4Very high88.9Confident8 Ų870.4 Ų70.44%0.03736%0.36CS..Hα-helixtrans-62.8-25.9179.664.1173.3-174.300113.1L20 R21 K26 L27 P192 P249 S250L20-E24 PolarHBondContact O-N 2.91Å; R21-E24 VanDerWaalsContact CD-OE1 3.29Å; R21-E24 WeakPolarHBondContact CD-OE1 3.44Å; R21-E24 IonicContact CZ-OE1 3.22Å; R21-E24 IonicContact NE-OE1 3.64Å; R21-E24 PolarHBondContact NE-OE1 3.12Å; R21-E24 WeakPolarHBondContact O-CG 3.37Å; E24-K26 PolarHBondContact O-N 2.99Å; E24-L27 HydrophobicContact CB-CD1 4.01Å; E24-L27 WeakPolarHBondContact O-CB 3.33Å; E24-L27 WeakPolarHBondContact O-CG 3.4Å; E24-L27 PolarHBondContact O-N 3.24Å; E24-P192 HydrophobicContact CB-CG 3.82Å; E24-P249 HydrophobicContact CB-CG 4.38Å; E24-S250 PolarHBondContact OE1-OG 3.05Å; E24-S250 WeakPolarHBondContact OE2-CB 3.38Å; E24-S250 PolarHBondContact OE2-N 3.49Å; E24-S250 PolarHBondContact OE2-OG 3.39Å
25L93.4Very high89.1Confident102 Ų10271.6 Ų71.653%0.53437%0.367SS..THydrogen-bonded Turntrans-69.5-17.2176.3-58.5177.4000113.2R21 I22 K23R21-L25 WeakPolarHBondContact O-CG 3.41Å; I22-L25 PolarHBondContact O-N 3.26Å; K23-L25 PolarHBondContact O-N 3.46Å
26K91.1Very high89.6Confident171 Ų17167.7 Ų67.774%0.74335%0.346SS*.THydrogen-bonded Turntrans-104.89.9-179-58.5-178.2-178.4-179.30112.4K23 E24K23-K26 PolarHBondContact O-N 2.88Å; E24-K26 PolarHBondContact O-N 2.99Å
27L91.3Very high90Very high33 Ų3367.7 Ų67.717%0.17335%0.345CS..PPolyproline II helixtrans-65.4146.1179-77.7172.8000111.1E24 Y66 M191 P192 P249E24-L27 HydrophobicContact CB-CD1 4.01Å; E24-L27 WeakPolarHBondContact O-CB 3.33Å; E24-L27 WeakPolarHBondContact O-CG 3.4Å; E24-L27 PolarHBondContact O-N 3.24Å; L27-Y66 HydrophobicContact CD2-CE1 3.94Å; L27-M191 HydrophobicContact CD2-CB 3.72Å; L27-M191 HydrophobicContact CD2-CG 3.91Å; L27-M191 HydrophobicContact CD2-SD 4.19Å; L27-P192 HydrophobicContact CD1-CG 4.23Å; L27-P192 HydrophobicContact CD2-CG 4.44Å; L27-P192 HydrophobicContact CG-CG 4.47Å; L27-P249 HydrophobicContact CD1-CG 3.57Å
28P92.1Very high90.3Very high54 Ų5470.8 Ų70.835%0.35138%0.381SS..PPolyproline II helixtrans-57142.9171.8-24.235.2000111.5Y30 L70 M191P28-Y30 PolarHBondContact O-N 3.47Å; P28-L70 HydrophobicContact CB-CD1 4.07Å; P28-L70 HydrophobicContact CB-CD2 4.02Å; P28-L70 HydrophobicContact CG-CD1 3.92Å; P28-M191 HydrophobicContact CG-SD 4.25Å
29V89.9Confident90.5Very high111 Ų11168 Ų6867%0.67337%0.369SS*.PPolyproline II helixtrans-79.6119.7177.2179.80000109.1
30Y92.8Very high91Very high18 Ų1866 Ų667%0.07135%0.353CS..PPolyproline II helixtrans-84.1129.2172.1-179.1-106.3000110.6P28 A32 I37 D69 L70 D73 H242 L245P28-Y30 PolarHBondContact O-N 3.47Å; Y30-A32 HydrophobicContact CD1-CB 4.23Å; Y30-A32 HydrophobicContact CE1-CB 3.53Å; Y30-I37 WeakPolarHBondContact OH-CD1 3.45Å; Y30-D69 HydrophobicContact CD2-CB 4.42Å; Y30-D69 HydrophobicContact CE2-CB 3.98Å; Y30-L70 HydrophobicContact CD2-CD2 4.42Å; Y30-D73 HydrophobicContact CD2-CB 3.93Å; Y30-D73 HydrophobicContact CE2-CB 3.86Å; Y30-H242 HydrophobicContact CE1-CB 3.87Å; Y30-H242 AromaticContact CE1-ND1 3.83Å; Y30-L245 HydrophobicContact CD1-CB 3.78Å; Y30-L245 HydrophobicContact CD1-CD1 3.57Å; Y30-L245 HydrophobicContact CD1-CG 4.32Å; Y30-L245 HydrophobicContact CD2-CD1 3.96Å; Y30-L245 HydrophobicContact CE1-CB 4.43Å; Y30-L245 HydrophobicContact CE1-CD1 3.68Å; Y30-L245 HydrophobicContact CE2-CD1 4.08Å; Y30-L245 HydrophobicContact CG-CB 4.2Å; Y30-L245 HydrophobicContact CG-CD1 3.69Å
31R91.6Very high91.3Very high175 Ų17571 Ų7166%0.6637%0.37SS*.  trans-107.7-11.9-174.9-57.9-177.5177.4-178.8-0.5114.2N33 D73R31-N33 WeakPolarHBondContact CB-ND2 3.3Å; R31-N33 PolarHBondContact O-N 3.45Å; R31-D73 WeakPolarHBondContact CB-OD2 3.42Å; R31-D73 PolarHBondContact N-OD2 3.04Å
32A90.5Very high91.5Very high35 Ų3573.5 Ų73.529%0.28938%0.38SS..  trans56.534.5-176.900000114Y30 D73Y30-A32 HydrophobicContact CD1-CB 4.23Å; Y30-A32 HydrophobicContact CE1-CB 3.53Å; A32-D73 WeakPolarHBondContact CA-OD1 3.37Å; A32-D73 PolarHBondContact N-OD1 3.12Å
33N87.4Confident91.8Very high121 Ų12169.3 Ų69.365%0.64736%0.359SS*.  trans-98.35-177.3-71.6-33.5000113.4R31 D73R31-N33 WeakPolarHBondContact CB-ND2 3.3Å; R31-N33 PolarHBondContact O-N 3.45Å; N33-D73 PolarHBondContact N-OD1 2.92Å
34S89.5Confident92.2Very high6 Ų665.1 Ų65.14%0.04234%0.341CS..  trans-62.3132.6-176.5-175.30000112.3Q36 I37 M72S34-Q36 PolarHBondContact O-N 2.96Å; S34-Q36 PolarHBondContact OG-N 3.07Å; S34-Q36 VanDerWaalsContact OG-N 3.16Å; S34-Q36 PolarHBondContact OG-OE1 3.35Å; S34-I37 WeakPolarHBondContact O-CB 3.48Å; S34-I37 WeakPolarHBondContact O-CG2 3.49Å; S34-I37 PolarHBondContact O-N 2.85Å; S34-M72 WeakPolarHBondContact CB-O 3.44Å; S34-M72 PolarHBondContact OG-O 3.34Å
35P89.7Confident92.2Very high93 Ų9367.4 Ų67.460%0.60435%0.354SS*.THydrogen-bonded Turntrans-65.7-17.517128.1-33.3000112.5D76P35-D76 HydrophobicContact CG-CB 4.25Å; P35-D76 VanDerWaalsContact CG-OD1 3.24Å; P35-D76 WeakPolarHBondContact CG-OD1 3.09Å
36Q91.3Very high92.3Very high12 Ų1263.3 Ų63.36%0.05633%0.332CS..THydrogen-bonded Turntrans-97.310.5177.3-39.3106.137.100113.4S34 G38 M39 Y75 D76 L82S34-Q36 PolarHBondContact O-N 2.96Å; S34-Q36 PolarHBondContact OG-N 3.07Å; S34-Q36 VanDerWaalsContact OG-N 3.16Å; S34-Q36 PolarHBondContact OG-OE1 3.35Å; Q36-G38 PolarHBondContact O-N 3.21Å; Q36-M39 WeakPolarHBondContact O-CB 3.33Å; Q36-M39 PolarHBondContact O-N 3.05Å; Q36-Y75 PolarHBondContact NE2-O 2.69Å; Q36-Y75 VanDerWaalsContact NE2-O 3.17Å; Q36-D76 PolarHBondContact NE2-OD1 3.47Å; Q36-L82 HydrophobicContact CB-CD2 4.15Å; Q36-L82 HydrophobicContact CG-CD2 4.44Å
37I91.4Very high92.4Very high49 Ų4955.1 Ų55.125%0.25130%0.297SS..G310 helixtrans-55-33-175.5-168.260.1000113.2Y30 S34 M39 R40Y30-I37 WeakPolarHBondContact OH-CD1 3.45Å; S34-I37 WeakPolarHBondContact O-CB 3.48Å; S34-I37 WeakPolarHBondContact O-CG2 3.49Å; S34-I37 PolarHBondContact O-N 2.85Å; I37-M39 PolarHBondContact O-N 3.34Å; I37-R40 HydrophobicContact CD1-CB 4.28Å; I37-R40 WeakPolarHBondContact O-CB 3.46Å; I37-R40 PolarHBondContact O-N 3.18Å
38G92.1Very high92.5Very high78 Ų7854.2 Ų54.280%0.80429%0.293SS*.G310 helixtrans-62.8-20.9175.900000114.4Q36Q36-G38 PolarHBondContact O-N 3.21Å
39M92.5Very high92.5Very high55 Ų5556.8 Ų56.827%0.27130%0.303SS..G310 helixtrans-92-8.3177-56.3-169.268.500113.1Q36 I37 R41 Y42 F43 V79Q36-M39 WeakPolarHBondContact O-CB 3.33Å; Q36-M39 PolarHBondContact O-N 3.05Å; I37-M39 PolarHBondContact O-N 3.34Å; M39-R41 PolarHBondContact O-N 2.87Å; M39-Y42 WeakPolarHBondContact O-CB 3.41Å; M39-Y42 PolarHBondContact O-N 3.48Å; M39-F43 HydrophobicContact CB-CD2 4.15Å; M39-F43 HydrophobicContact CB-CE2 4.12Å; M39-F43 HydrophobicContact CE-CE2 3.99Å; M39-F43 WeakPolarHBondContact O-CD2 3.2Å; M39-F43 PolarHBondContact O-N 3.47Å; M39-V79 HydrophobicContact CE-CB 4.36Å; M39-V79 HydrophobicContact CE-CG1 3.5Å; M39-V79 VanDerWaalsContact CE-CG1 3.5Å; M39-V79 HydrophobicContact CE-CG2 4.05Å; M39-V79 HydrophobicContact SD-CB 4.46Å; M39-V79 HydrophobicContact SD-CG1 4.21Å; M39-V79 HydrophobicContact SD-CG2 3.63Å
40R95Very high92.5Very high10 Ų1051.6 Ų51.64%0.03827%0.272CS..Hα-helixtrans-55.4-49.6-174.1-173.7-148.7177.2-102.3-1.6112.6I37 Y42 F43 A44 D69 M72 L239 Q240I37-R40 HydrophobicContact CD1-CB 4.28Å; I37-R40 WeakPolarHBondContact O-CB 3.46Å; I37-R40 PolarHBondContact O-N 3.18Å; R40-Y42 VanDerWaalsContact C-N 3.29Å; R40-Y42 PolarHBondContact O-N 2.88Å; R40-F43 PolarHBondContact O-N 3.17Å; R40-A44 PolarHBondContact O-N 3.21Å; R40-D69 WeakPolarHBondContact CD-OD1 3.42Å; R40-D69 VanDerWaalsContact CG-OD1 3.3Å; R40-D69 WeakPolarHBondContact CG-OD1 3.18Å; R40-D69 IonicContact CZ-OD1 2.85Å; R40-D69 IonicContact CZ-OD2 3.47Å; R40-D69 VanDerWaalsContact NE-CG 3.34Å; R40-D69 IonicContact NE-OD1 2.72Å; R40-D69 PolarHBondContact NE-OD1 3.07Å; R40-D69 IonicContact NE-OD2 3.27Å; R40-D69 PolarHBondContact NE-OD2 2.72Å; R40-D69 IonicContact NH2-OD1 3.38Å; R40-D69 IonicContact NH2-OD2 3.64Å; R40-D69 PolarHBondContact NH2-OD2 3.22Å; R40-M72 HydrophobicContact CB-CE 4.22Å; R40-M72 HydrophobicContact CG-CE 3.91Å; R40-L239 PolarHBondContact NH1-O 3.32Å; R40-L239 PolarHBondContact NH2-O 3.39Å; R40-Q240 PolarHBondContact NH1-O 3.11Å
41R94.1Very high92.3Very high129 Ų12950.8 Ų50.849%0.48727%0.268SS..Hα-helixtrans-57.8-42.8-178.4179.9170.6-90.8114.2-2.4111.5M39 F43 A44 D45 D241M39-R41 PolarHBondContact O-N 2.87Å; R41-F43 VanDerWaalsContact C-N 3.35Å; R41-F43 PolarHBondContact O-N 3.49Å; R41-A44 PolarHBondContact O-N 2.9Å; R41-D45 PolarHBondContact O-N 2.91Å; R41-D241 IonicContact NH2-OD2 2.73Å
42Y94.6Very high92.2Very high105 Ų10546.4 Ų46.441%0.41226%0.258SS..Hα-helixtrans-58.7-44.3174.7170.6-90.4000112.4M39 R40 D45 L46 Y83M39-Y42 WeakPolarHBondContact O-CB 3.41Å; M39-Y42 PolarHBondContact O-N 3.48Å; R40-Y42 VanDerWaalsContact C-N 3.29Å; R40-Y42 PolarHBondContact O-N 2.88Å; Y42-D45 PolarHBondContact O-N 2.94Å; Y42-L46 HydrophobicContact CE1-CD2 4.5Å; Y42-L46 WeakPolarHBondContact O-CB 3.39Å; Y42-L46 PolarHBondContact O-N 3.19Å; Y42-Y83 AromaticContact CE1-CE1 3.67Å; Y42-Y83 HydrophobicContact CE1-CE1 3.67Å; Y42-Y83 AromaticContact CE1-CZ 3.64Å; Y42-Y83 WeakPolarHBondContact CE1-OH 3.38Å; Y42-Y83 VanDerWaalsContact CZ-OH 3.27Å; Y42-Y83 WeakPolarHBondContact OH-CE1 3.39Å; Y42-Y83 PolarHBondContact OH-OH 3.01Å
43F95.8Very high92Very high0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-72.9-34.3178.3-78.3-74.8000113.3M39 R40 R41 D45 L46 L47 L68 L82 Y83 A86M39-F43 HydrophobicContact CB-CD2 4.15Å; M39-F43 HydrophobicContact CB-CE2 4.12Å; M39-F43 HydrophobicContact CE-CE2 3.99Å; M39-F43 WeakPolarHBondContact O-CD2 3.2Å; M39-F43 PolarHBondContact O-N 3.47Å; R40-F43 PolarHBondContact O-N 3.17Å; R41-F43 VanDerWaalsContact C-N 3.35Å; R41-F43 PolarHBondContact O-N 3.49Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-L46 HydrophobicContact CD1-CD2 4.01Å; F43-L46 HydrophobicContact CE1-CD2 4.21Å; F43-L46 PolarHBondContact O-N 3.1Å; F43-L47 WeakPolarHBondContact O-CB 3.32Å; F43-L47 VanDerWaalsContact O-CG 3.25Å; F43-L47 WeakPolarHBondContact O-CG 3.46Å; F43-L47 PolarHBondContact O-N 3.18Å; F43-L68 HydrophobicContact CB-CD2 3.62Å; F43-L68 HydrophobicContact CG-CD2 4.25Å; F43-L82 HydrophobicContact CD2-CD2 3.7Å; F43-L82 HydrophobicContact CD2-CG 3.96Å; F43-L82 HydrophobicContact CE1-CB 4.44Å; F43-L82 HydrophobicContact CE1-CG 4.21Å; F43-L82 HydrophobicContact CE2-CB 4.06Å; F43-L82 HydrophobicContact CE2-CD2 3.25Å; F43-L82 HydrophobicContact CE2-CG 3.51Å; F43-L82 HydrophobicContact CG-CG 4.5Å; F43-L82 HydrophobicContact CZ-CB 3.78Å; F43-L82 HydrophobicContact CZ-CD2 3.88Å; F43-L82 HydrophobicContact CZ-CG 3.64Å; F43-Y83 AromaticContact CE1-CD1 3.68Å; F43-Y83 HydrophobicContact CE1-CD1 3.68Å; F43-Y83 HydrophobicContact CE1-CD2 4.09Å; F43-Y83 AromaticContact CE1-CE1 3.89Å; F43-Y83 HydrophobicContact CE1-CE1 3.89Å; F43-Y83 HydrophobicContact CE1-CE2 4.25Å; F43-Y83 AromaticContact CE1-CG 3.79Å; F43-Y83 HydrophobicContact CE1-CG 3.79Å; F43-Y83 HydrophobicContact CZ-CD1 4.23Å; F43-Y83 AromaticContact CZ-CD2 3.89Å; F43-Y83 HydrophobicContact CZ-CD2 3.89Å; F43-Y83 HydrophobicContact CZ-CE1 4.19Å; F43-Y83 AromaticContact CZ-CE2 3.82Å; F43-Y83 HydrophobicContact CZ-CE2 3.82Å; F43-Y83 HydrophobicContact CZ-CG 4.09Å; F43-Y83 AromaticContact CZ-CZ 3.97Å; F43-A86 HydrophobicContact CD1-CB 3.76Å; F43-A86 HydrophobicContact CE1-CB 4.28Å
44A95.9Very high91.8Very high2 Ų246 Ų462%0.01724%0.241CC..Hα-helixtrans-60.6-44.6172.200000110.9R40 R41 L47 A48 V65R40-A44 PolarHBondContact O-N 3.21Å; R41-A44 PolarHBondContact O-N 2.9Å; A44-L47 PolarHBondContact O-N 3.49Å; A44-A48 WeakPolarHBondContact O-CB 3.45Å; A44-A48 PolarHBondContact O-N 2.79Å; A44-V65 HydrophobicContact CB-CG1 4.35Å; A44-V65 HydrophobicContact CB-CG2 4.43Å
45D94.8Very high91.4Very high57 Ų5752.3 Ų52.331%0.30527%0.269SS..Hα-helixtrans-63.4-45.1174.2-73.1-30.3000112.3R41 Y42 F43 L47 A48 I49 Q240R41-D45 PolarHBondContact O-N 2.91Å; Y42-D45 PolarHBondContact O-N 2.94Å; F43-D45 VanDerWaalsContact C-N 3.33Å; D45-L47 VanDerWaalsContact C-N 3.32Å; D45-L47 PolarHBondContact O-N 2.99Å; D45-A48 WeakPolarHBondContact O-CB 3.4Å; D45-A48 PolarHBondContact O-N 3.09Å; D45-A48 VanDerWaalsContact O-N 3.17Å; D45-I49 VanDerWaalsContact O-CG1 3.3Å; D45-I49 WeakPolarHBondContact O-CG1 3.21Å; D45-I49 PolarHBondContact O-N 3.32Å; D45-Q240 VanDerWaalsContact OD1-CD 3.29Å; D45-Q240 PolarHBondContact OD1-NE2 2.89Å; D45-Q240 PolarHBondContact OD1-OE1 2.86Å
46L94.1Very high91.1Very high15 Ų1548.4 Ų48.48%0.07924%0.243CC..Hα-helixtrans-56.4-48.2175.4177.561.5000111Y42 F43 A48 I49 L50 Y83 F161Y42-L46 HydrophobicContact CE1-CD2 4.5Å; Y42-L46 WeakPolarHBondContact O-CB 3.39Å; Y42-L46 PolarHBondContact O-N 3.19Å; F43-L46 HydrophobicContact CD1-CD2 4.01Å; F43-L46 HydrophobicContact CE1-CD2 4.21Å; F43-L46 PolarHBondContact O-N 3.1Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.16Å; L46-I49 PolarHBondContact O-N 2.94Å; L46-L50 HydrophobicContact CD1-CD1 4.08Å; L46-L50 HydrophobicContact CD1-CG 4.26Å; L46-L50 HydrophobicContact CG-CD1 4.05Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.34Å; L46-Y83 HydrophobicContact CD2-CD1 3.81Å; L46-Y83 HydrophobicContact CD2-CE1 3.91Å; L46-F161 HydrophobicContact CD1-CD1 3.88Å; L46-F161 HydrophobicContact CD1-CE1 3.59Å; L46-F161 HydrophobicContact CD1-CZ 4.11Å; L46-F161 HydrophobicContact CD2-CE2 4.42Å; L46-F161 HydrophobicContact CD2-CZ 4.27Å
47L95Very high90.7Very high0 Ų049.4 Ų49.40%025%0.251CS..Hα-helixtrans-64.6-36.7177.8-71.6177000112.2F43 A44 D45 S51 A64 V65 L68 A86 L90F43-L47 WeakPolarHBondContact O-CB 3.32Å; F43-L47 VanDerWaalsContact O-CG 3.25Å; F43-L47 WeakPolarHBondContact O-CG 3.46Å; F43-L47 PolarHBondContact O-N 3.18Å; A44-L47 PolarHBondContact O-N 3.49Å; D45-L47 VanDerWaalsContact C-N 3.32Å; D45-L47 PolarHBondContact O-N 2.99Å; L47-S51 WeakPolarHBondContact O-CB 3.15Å; L47-S51 PolarHBondContact O-N 3.2Å; L47-A64 HydrophobicContact CD1-CB 4.36Å; L47-V65 HydrophobicContact CB-CG2 4.17Å; L47-V65 HydrophobicContact CD1-CG2 3.75Å; L47-L68 HydrophobicContact CD1-CD2 3.93Å; L47-A86 HydrophobicContact CD2-CB 4.24Å; L47-A86 WeakPolarHBondContact CD2-O 3.25Å; L47-A86 HydrophobicContact CG-CB 4.48Å; L47-L90 HydrophobicContact CD2-CB 3.84Å; L47-L90 HydrophobicContact CD2-CD1 4.26Å; L47-L90 HydrophobicContact CD2-CD2 4.12Å; L47-L90 HydrophobicContact CD2-CG 4.29Å
48A92.7Very high90.4Very high13 Ų1349.4 Ų49.411%0.10725%0.254CS..Hα-helixtrans-63.8-46.7174.500000111.9A44 D45 L46 L50 S51 N52A44-A48 WeakPolarHBondContact O-CB 3.45Å; A44-A48 PolarHBondContact O-N 2.79Å; D45-A48 WeakPolarHBondContact O-CB 3.4Å; D45-A48 PolarHBondContact O-N 3.09Å; D45-A48 VanDerWaalsContact O-N 3.17Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.16Å; A48-L50 PolarHBondContact O-N 3.25Å; A48-S51 PolarHBondContact O-N 2.66Å; A48-N52 WeakPolarHBondContact O-CB 3.33Å; A48-N52 PolarHBondContact O-N 2.94Å; A48-N52 PolarHBondContact O-ND2 3.1Å; A48-N52 PolarHBondContact O-OD1 3.31Å
49I91.3Very high90.1Very high108 Ų10847 Ų4755%0.55422%0.224SC*.Hα-helixtrans-59.7-48.1176.8-68.5164.2000110.6D45 L46 N52 R53D45-I49 VanDerWaalsContact O-CG1 3.3Å; D45-I49 WeakPolarHBondContact O-CG1 3.21Å; D45-I49 PolarHBondContact O-N 3.32Å; L46-I49 PolarHBondContact O-N 2.94Å; I49-N52 PolarHBondContact O-N 3.28Å; I49-R53 WeakPolarHBondContact O-CB 3.4Å; I49-R53 PolarHBondContact O-N 3.36Å
50L90.8Very high89.9Confident3 Ų344.4 Ų44.42%0.01621%0.211CC..Hα-helixtrans-65-45.8179.4-66.9173.8000111.4L46 A48 N52 R53 Y54 L87 L90 L159 F161L46-L50 HydrophobicContact CD1-CD1 4.08Å; L46-L50 HydrophobicContact CD1-CG 4.26Å; L46-L50 HydrophobicContact CG-CD1 4.05Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.34Å; A48-L50 PolarHBondContact O-N 3.25Å; L50-N52 PolarHBondContact O-N 2.76Å; L50-R53 PolarHBondContact O-N 3.01Å; L50-Y54 HydrophobicContact CB-CD2 4.48Å; L50-Y54 HydrophobicContact CD2-CE2 4.18Å; L50-Y54 WeakPolarHBondContact O-CD2 3.3Å; L50-Y54 PolarHBondContact O-N 2.81Å; L50-L87 HydrophobicContact CD1-CD2 3.35Å; L50-L90 HydrophobicContact CB-CD2 3.68Å; L50-L90 HydrophobicContact CD1-CD2 4.3Å; L50-L159 HydrophobicContact CD2-CD1 3.62Å; L50-L159 HydrophobicContact CD2-CD2 3.6Å; L50-L159 HydrophobicContact CD2-CG 4.29Å; L50-F161 HydrophobicContact CD2-CE1 4.43Å
51S89.1Confident89.8Confident0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-55.2-40.3174.7-179.80000111.9L47 A48 Q55 L56 R61L47-S51 WeakPolarHBondContact O-CB 3.15Å; L47-S51 PolarHBondContact O-N 3.2Å; A48-S51 PolarHBondContact O-N 2.66Å; S51-Q55 WeakPolarHBondContact O-CA 3.45Å; S51-Q55 PolarHBondContact O-N 3.46Å; S51-L56 PolarHBondContact O-N 2.95Å; S51-R61 PolarHBondContact OG-NE 2.86Å; S51-R61 PolarHBondContact OG-NH2 3.49Å
52N87.9Confident89.9Confident83 Ų8338.6 Ų38.644%0.44419%0.189SC..Hα-helixtrans-70.1-45.8177.5-68.4-14.9000111.7A48 I49 L50 Y54 Q55 R61A48-N52 WeakPolarHBondContact O-CB 3.33Å; A48-N52 PolarHBondContact O-N 2.94Å; A48-N52 PolarHBondContact O-ND2 3.1Å; A48-N52 PolarHBondContact O-OD1 3.31Å; I49-N52 PolarHBondContact O-N 3.28Å; L50-N52 PolarHBondContact O-N 2.76Å; N52-Y54 VanDerWaalsContact C-N 3.26Å; N52-Y54 PolarHBondContact O-N 3.46Å; N52-Q55 PolarHBondContact O-N 2.88Å; N52-Q55 VanDerWaalsContact O-N 3.09Å; N52-R61 PolarHBondContact OD1-NH2 3.48Å
53R86.9Confident89.9Confident128 Ų12833.7 Ų33.748%0.48317%0.171SC..Hα-helixtrans-56.6-40177173.8176.9154.3154.6-9.8112.1I49 L50 Q155 L159I49-R53 WeakPolarHBondContact O-CB 3.4Å; I49-R53 PolarHBondContact O-N 3.36Å; L50-R53 PolarHBondContact O-N 3.01Å; R53-Q155 PolarHBondContact NH2-O 3.35Å; R53-L159 VanDerWaalsContact CZ-CD2 3.49Å; R53-L159 VanDerWaalsContact NH1-CD2 3.33Å
54Y82.8Confident89.9Confident21 Ų2133.7 Ų33.78%0.08217%0.171CC..THydrogen-bonded Turntrans-95.97.8179.8-62.2-71.9000113.8L50 N52 L56 P151 Q155 L156L50-Y54 HydrophobicContact CB-CD2 4.48Å; L50-Y54 HydrophobicContact CD2-CE2 4.18Å; L50-Y54 WeakPolarHBondContact O-CD2 3.3Å; L50-Y54 PolarHBondContact O-N 2.81Å; N52-Y54 VanDerWaalsContact C-N 3.26Å; N52-Y54 PolarHBondContact O-N 3.46Å; Y54-L56 PolarHBondContact O-N 3.18Å; Y54-P151 HydrophobicContact CD1-CB 3.98Å; Y54-P151 HydrophobicContact CD1-CG 3.82Å; Y54-P151 HydrophobicContact CD2-CB 4.23Å; Y54-P151 HydrophobicContact CD2-CG 3.72Å; Y54-P151 HydrophobicContact CE1-CB 3.69Å; Y54-P151 HydrophobicContact CE1-CG 4.04Å; Y54-P151 HydrophobicContact CE2-CB 4Å; Y54-P151 HydrophobicContact CE2-CG 3.99Å; Y54-P151 HydrophobicContact CG-CB 4.25Å; Y54-P151 HydrophobicContact CG-CG 3.66Å; Y54-Q155 HydrophobicContact CE1-CB 4.41Å; Y54-Q155 PolarHBondContact OH-O 2.89Å; Y54-L156 HydrophobicContact CE2-CD2 4.32Å
55Q81.6Confident90Very high138 Ų13833.7 Ų33.765%0.64517%0.17SC*.THydrogen-bonded Turntrans51.340178.4-58.51714000113.1S51 N52S51-Q55 WeakPolarHBondContact O-CA 3.45Å; S51-Q55 PolarHBondContact O-N 3.46Å; N52-Q55 PolarHBondContact O-N 2.88Å; N52-Q55 VanDerWaalsContact O-N 3.09Å
56L82.9Confident90.1Very high11 Ų1132.1 Ų32.16%0.05816%0.16CC..  trans-74.8149.7175-46.5-179.8000109.6S51 Y54 A60 L90 K94S51-L56 PolarHBondContact O-N 2.95Å; Y54-L56 PolarHBondContact O-N 3.18Å; L56-A60 HydrophobicContact CB-CB 4.41Å; L56-L90 HydrophobicContact CD1-CD1 3.69Å; L56-L90 HydrophobicContact CD1-CD2 4.15Å; L56-L90 HydrophobicContact CD1-CG 3.79Å; L56-K94 HydrophobicContact CD1-CB 4.48Å; L56-K94 HydrophobicContact CD2-CB 4.31Å; L56-K94 HydrophobicContact CD2-CD 3.82Å; L56-K94 HydrophobicContact CD2-CG 3.97Å
57C82.9Confident90.2Very high33 Ų3331.4 Ų31.422%0.22316%0.156CC..  trans-69.9151.9179.762.50000111.7T59 A60 R61C57-T59 PolarHBondContact O-N 3.36Å; C57-T59 VanDerWaalsContact O-N 3.13Å; C57-A60 WeakPolarHBondContact O-CB 3.49Å; C57-A60 PolarHBondContact O-N 3.26Å; C57-R61 PolarHBondContact O-N 3.34Å
58P85.3Confident90.3Very high49 Ų4931.4 Ų31.432%0.31816%0.157SC..Hα-helixtrans-54.4-34.8178.8-27.235.1000113.3A60 R61 H62P58-A60 PolarHBondContact O-N 3.25Å; P58-R61 WeakPolarHBondContact O-CB 3.3Å; P58-R61 PolarHBondContact O-N 2.99Å; P58-H62 PolarHBondContact O-N 3.34Å; P58-H62 PolarHBondContact O-ND1 3.48Å
59T87.3Confident90.5Very high28 Ų2830.9 Ų30.917%0.17215%0.152CC..Hα-helixtrans-58.4-44.4175.6-460000112.5C57 H62 L63 H196C57-T59 PolarHBondContact O-N 3.36Å; C57-T59 VanDerWaalsContact O-N 3.13Å; T59-H62 PolarHBondContact O-N 3.23Å; T59-L63 WeakPolarHBondContact O-CB 3.44Å; T59-L63 PolarHBondContact O-N 3.01Å; T59-H196 WeakPolarHBondContact CG2-CE1 3.39Å; T59-H196 WeakPolarHBondContact CG2-NE2 3.34Å
60A88.1Confident90.7Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-65.3-42.7177.100000111.2L56 C57 P58 L63 A64 A93 S97L56-A60 HydrophobicContact CB-CB 4.41Å; C57-A60 WeakPolarHBondContact O-CB 3.49Å; C57-A60 PolarHBondContact O-N 3.26Å; P58-A60 PolarHBondContact O-N 3.25Å; A60-L63 PolarHBondContact O-N 3.21Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 3.41Å; A60-A93 HydrophobicContact CB-CB 4.46Å; A60-A93 WeakPolarHBondContact O-CB 3.48Å; A60-S97 WeakPolarHBondContact CA-OG 3.17Å; A60-S97 WeakPolarHBondContact CB-OG 3.25Å
61R92.6Very high90.9Very high12 Ų1226 Ų265%0.04513%0.126CC..Hα-helixtrans-59.4-49.3176.2-170.6-169-60.21175.4111.6S51 N52 C57 P58 L63 A64 V65 E236 L239S51-R61 PolarHBondContact OG-NE 2.86Å; S51-R61 PolarHBondContact OG-NH2 3.49Å; N52-R61 PolarHBondContact OD1-NH2 3.48Å; C57-R61 PolarHBondContact O-N 3.34Å; P58-R61 WeakPolarHBondContact O-CB 3.3Å; P58-R61 PolarHBondContact O-N 2.99Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.4Å; R61-A64 PolarHBondContact O-N 3.17Å; R61-V65 WeakPolarHBondContact O-CG2 3.34Å; R61-V65 PolarHBondContact O-N 2.95Å; R61-E236 WeakPolarHBondContact CD-OE2 3.47Å; R61-E236 IonicContact CZ-OE1 3.61Å; R61-E236 IonicContact CZ-OE2 3.64Å; R61-E236 IonicContact NE-OE2 3.36Å; R61-E236 VanDerWaalsContact NH1-CD 3.26Å; R61-E236 IonicContact NH1-OE1 3.51Å; R61-E236 PolarHBondContact NH1-OE1 3.49Å; R61-E236 IonicContact NH1-OE2 2.9Å; R61-E236 PolarHBondContact NH1-OE2 3.2Å; R61-E236 VanDerWaalsContact NH1-OE2 3.14Å; R61-L239 HydrophobicContact CG-CD2 4.01Å
62H95.3Very high91.2Very high4 Ų426 Ų262%0.01913%0.127CC..Hα-helixtrans-62.2-42.5179.6-78.573.3000111.8P58 T59 Y66 T193 A195 L235 E236 L239P58-H62 PolarHBondContact O-N 3.34Å; P58-H62 PolarHBondContact O-ND1 3.48Å; T59-H62 PolarHBondContact O-N 3.23Å; H62-Y66 VanDerWaalsContact O-CB 3.29Å; H62-Y66 WeakPolarHBondContact O-CB 2.99Å; H62-Y66 PolarHBondContact O-N 2.9Å; H62-T193 HydrophobicContact CB-CG2 4.15Å; H62-A195 HydrophobicContact CB-CB 4.08Å; H62-L235 WeakPolarHBondContact NE2-CD1 3.44Å; H62-L235 WeakPolarHBondContact NE2-CG 3.35Å; H62-L235 PolarHBondContact NE2-O 3.35Å; H62-E236 IonicContact CE1-OE1 3.61Å; H62-L239 HydrophobicContact CB-CD1 4.41Å
63L94.4Very high91.4Very high3 Ų323 Ų232%0.01611%0.11CC..Hα-helixtrans-64.5-42.8176.5-179.861.2000111T59 A60 R61 V65 Y66 L67 A93 Q96 M191 T193T59-L63 WeakPolarHBondContact O-CB 3.44Å; T59-L63 PolarHBondContact O-N 3.01Å; A60-L63 PolarHBondContact O-N 3.21Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.4Å; L63-V65 PolarHBondContact O-N 2.97Å; L63-Y66 PolarHBondContact O-N 3.35Å; L63-L67 HydrophobicContact CD1-CD1 4.38Å; L63-L67 HydrophobicContact CD1-CD2 4.32Å; L63-L67 HydrophobicContact CD1-CG 4.1Å; L63-L67 HydrophobicContact CG-CD1 4.14Å; L63-L67 HydrophobicContact CG-CG 4.3Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.01Å; L63-L67 PolarHBondContact O-N 3.38Å; L63-A93 HydrophobicContact CB-CB 4Å; L63-A93 HydrophobicContact CD2-CB 4.04Å; L63-A93 HydrophobicContact CG-CB 3.99Å; L63-Q96 HydrophobicContact CD2-CB 4.06Å; L63-Q96 HydrophobicContact CD2-CG 3.87Å; L63-M191 HydrophobicContact CD1-CB 4.14Å; L63-T193 HydrophobicContact CB-CG2 4.33Å
64A96.5Very high91.6Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-59.5-47178.900000112.6L47 A60 R61 L67 L68 C89 L90 A93L47-A64 HydrophobicContact CD1-CB 4.36Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 3.41Å; R61-A64 PolarHBondContact O-N 3.17Å; A64-L67 PolarHBondContact O-N 3.03Å; A64-L68 WeakPolarHBondContact O-CB 3.5Å; A64-L68 PolarHBondContact O-N 3.5Å; A64-C89 HydrophobicContact CB-CB 4.48Å; A64-C89 WeakPolarHBondContact O-CB 3.4Å; A64-L90 HydrophobicContact CB-CB 4.29Å; A64-L90 HydrophobicContact CB-CD1 3.8Å; A64-A93 HydrophobicContact CB-CB 3.88Å
65V97.3Very high92.1Very high1 Ų125.8 Ų25.81%0.00613%0.126CC..Hα-helixtrans-64.5-41.8176.3174.60000110.6A44 L47 R61 L63 L67 L68 D69 L239A44-V65 HydrophobicContact CB-CG1 4.35Å; A44-V65 HydrophobicContact CB-CG2 4.43Å; L47-V65 HydrophobicContact CB-CG2 4.17Å; L47-V65 HydrophobicContact CD1-CG2 3.75Å; R61-V65 WeakPolarHBondContact O-CG2 3.34Å; R61-V65 PolarHBondContact O-N 2.95Å; L63-V65 PolarHBondContact O-N 2.97Å; V65-L67 PolarHBondContact O-N 3.37Å; V65-L68 WeakPolarHBondContact O-CB 3.39Å; V65-L68 PolarHBondContact O-N 3.49Å; V65-D69 VanDerWaalsContact O-CG 3.29Å; V65-D69 PolarHBondContact O-N 3.32Å; V65-L239 HydrophobicContact CB-CD1 3.72Å; V65-L239 HydrophobicContact CB-CG 4.26Å; V65-L239 HydrophobicContact CG1-CD1 3.72Å; V65-L239 HydrophobicContact CG1-CG 4.19Å; V65-L239 HydrophobicContact CG2-CD1 4.11Å; V65-L239 HydrophobicContact CG2-CD2 4.04Å; V65-L239 HydrophobicContact CG2-CG 4.12Å
66Y97Very high92.6Very high24 Ų2425.8 Ų25.89%0.09413%0.13CC..Hα-helixtrans-63.3-43178.3-175.5-119.7000112.8L27 H62 L63 L68 D69 L70 M191 L245L27-Y66 HydrophobicContact CD2-CE1 3.94Å; H62-Y66 VanDerWaalsContact O-CB 3.29Å; H62-Y66 WeakPolarHBondContact O-CB 2.99Å; H62-Y66 PolarHBondContact O-N 2.9Å; L63-Y66 PolarHBondContact O-N 3.35Å; Y66-L68 VanDerWaalsContact C-N 3.32Å; Y66-L68 PolarHBondContact O-N 3.19Å; Y66-D69 PolarHBondContact O-N 2.94Å; Y66-L70 HydrophobicContact CD1-CD1 4.18Å; Y66-L70 HydrophobicContact CE1-CD1 3.67Å; Y66-L70 HydrophobicContact CE1-CG 4.43Å; Y66-L70 HydrophobicContact CE2-CD1 4.25Å; Y66-L70 HydrophobicContact CE2-CD2 4.27Å; Y66-L70 HydrophobicContact CE2-CG 4.17Å; Y66-L70 WeakPolarHBondContact O-CG 3.4Å; Y66-L70 PolarHBondContact O-N 2.95Å; Y66-M191 HydrophobicContact CD1-CB 4.19Å; Y66-M191 HydrophobicContact CD1-SD 4.21Å; Y66-M191 HydrophobicContact CE1-CB 3.94Å; Y66-M191 HydrophobicContact CE1-CG 4.38Å; Y66-M191 HydrophobicContact CE1-SD 3.59Å; Y66-M191 VanDerWaalsContact CE1-SD 3.59Å; Y66-L245 HydrophobicContact CD2-CD2 3.7Å; Y66-L245 HydrophobicContact CE2-CD2 3.88Å
67L96.5Very high93Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-61.6-42.3173.8-66.3175000111.1L63 A64 V65 F71 C89 F185 L189 M191L63-L67 HydrophobicContact CD1-CD1 4.38Å; L63-L67 HydrophobicContact CD1-CD2 4.32Å; L63-L67 HydrophobicContact CD1-CG 4.1Å; L63-L67 HydrophobicContact CG-CD1 4.14Å; L63-L67 HydrophobicContact CG-CG 4.3Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.01Å; L63-L67 PolarHBondContact O-N 3.38Å; A64-L67 PolarHBondContact O-N 3.03Å; V65-L67 PolarHBondContact O-N 3.37Å; L67-F71 WeakPolarHBondContact O-CB 3.12Å; L67-F71 PolarHBondContact O-N 3Å; L67-C89 HydrophobicContact CB-CB 4.17Å; L67-F185 HydrophobicContact CB-CE2 4.07Å; L67-F185 HydrophobicContact CB-CZ 4.25Å; L67-F185 HydrophobicContact CD2-CD1 4.46Å; L67-F185 HydrophobicContact CD2-CD2 3.73Å; L67-F185 HydrophobicContact CD2-CE1 4.39Å; L67-F185 HydrophobicContact CD2-CE2 3.66Å; L67-F185 HydrophobicContact CD2-CG 4.17Å; L67-F185 HydrophobicContact CD2-CZ 4.01Å; L67-F185 HydrophobicContact CG-CE2 4.38Å; L67-F185 WeakPolarHBondContact O-CZ 3.13Å; L67-L189 HydrophobicContact CD1-CD2 4.05Å; L67-L189 HydrophobicContact CD2-CD2 3.88Å; L67-M191 HydrophobicContact CD2-CE 3.42Å; L67-M191 VanDerWaalsContact CD2-CE 3.42Å
68L96.9Very high93.5Very high1 Ų127.8 Ų27.81%0.00515%0.149CC..Hα-helixtrans-62.2-45.5176.4-179.864.5000111.5F43 L47 A64 V65 Y66 L70 F71 M72 L82 I85 A86F43-L68 HydrophobicContact CB-CD2 3.62Å; F43-L68 HydrophobicContact CG-CD2 4.25Å; L47-L68 HydrophobicContact CD1-CD2 3.93Å; A64-L68 WeakPolarHBondContact O-CB 3.5Å; A64-L68 PolarHBondContact O-N 3.5Å; V65-L68 WeakPolarHBondContact O-CB 3.39Å; V65-L68 PolarHBondContact O-N 3.49Å; Y66-L68 VanDerWaalsContact C-N 3.32Å; Y66-L68 PolarHBondContact O-N 3.19Å; L68-L70 PolarHBondContact O-N 2.81Å; L68-F71 PolarHBondContact O-N 2.75Å; L68-M72 HydrophobicContact CD1-CG 4.19Å; L68-M72 HydrophobicContact CD1-SD 4.28Å; L68-M72 HydrophobicContact CD2-CE 4.36Å; L68-M72 HydrophobicContact CG-CE 3.85Å; L68-M72 HydrophobicContact CG-CG 4.41Å; L68-M72 HydrophobicContact CG-SD 4.15Å; L68-M72 WeakPolarHBondContact O-CB 3.31Å; L68-M72 WeakPolarHBondContact O-CG 3.39Å; L68-M72 PolarHBondContact O-N 2.83Å; L68-L82 HydrophobicContact CD1-CD1 3.71Å; L68-I85 HydrophobicContact CD1-CG2 3.75Å; L68-A86 HydrophobicContact CD1-CB 4.28Å; L68-A86 HydrophobicContact CD2-CB 4.02Å
69D96.3Very high93.7Very high1 Ų128.8 Ų28.81%0.00515%0.154CC..Hα-helixtrans-58.3-49178.6-75.1-31.8000111.7Y30 R40 V65 Y66 F71 M72 D73 L245Y30-D69 HydrophobicContact CD2-CB 4.42Å; Y30-D69 HydrophobicContact CE2-CB 3.98Å; R40-D69 WeakPolarHBondContact CD-OD1 3.42Å; R40-D69 VanDerWaalsContact CG-OD1 3.3Å; R40-D69 WeakPolarHBondContact CG-OD1 3.18Å; R40-D69 IonicContact CZ-OD1 2.85Å; R40-D69 IonicContact CZ-OD2 3.47Å; R40-D69 VanDerWaalsContact NE-CG 3.34Å; R40-D69 IonicContact NE-OD1 2.72Å; R40-D69 PolarHBondContact NE-OD1 3.07Å; R40-D69 IonicContact NE-OD2 3.27Å; R40-D69 PolarHBondContact NE-OD2 2.72Å; R40-D69 IonicContact NH2-OD1 3.38Å; R40-D69 IonicContact NH2-OD2 3.64Å; R40-D69 PolarHBondContact NH2-OD2 3.22Å; V65-D69 VanDerWaalsContact O-CG 3.29Å; V65-D69 PolarHBondContact O-N 3.32Å; Y66-D69 PolarHBondContact O-N 2.94Å; D69-F71 VanDerWaalsContact C-N 3.33Å; D69-F71 PolarHBondContact O-N 2.91Å; D69-M72 PolarHBondContact O-N 3.2Å; D69-D73 WeakPolarHBondContact O-CB 3.3Å; D69-D73 PolarHBondContact O-N 3.32Å; D69-L245 HydrophobicContact CB-CD1 3.96Å
70L95.4Very high93.7Very high1 Ų133.7 Ų33.71%0.00517%0.173CC..Hα-helixtrans-63.5-39.6177.6-67.1-180000111.9P28 Y30 Y66 L68 D73 H74 F185 M191P28-L70 HydrophobicContact CB-CD1 4.07Å; P28-L70 HydrophobicContact CB-CD2 4.02Å; P28-L70 HydrophobicContact CG-CD1 3.92Å; Y30-L70 HydrophobicContact CD2-CD2 4.42Å; Y66-L70 HydrophobicContact CD1-CD1 4.18Å; Y66-L70 HydrophobicContact CE1-CD1 3.67Å; Y66-L70 HydrophobicContact CE1-CG 4.43Å; Y66-L70 HydrophobicContact CE2-CD1 4.25Å; Y66-L70 HydrophobicContact CE2-CD2 4.27Å; Y66-L70 HydrophobicContact CE2-CG 4.17Å; Y66-L70 WeakPolarHBondContact O-CG 3.4Å; Y66-L70 PolarHBondContact O-N 2.95Å; L68-L70 PolarHBondContact O-N 2.81Å; L70-D73 PolarHBondContact O-N 2.82Å; L70-H74 PolarHBondContact O-CD2 3.39Å; L70-H74 PolarHBondContact O-N 3.43Å; L70-F185 HydrophobicContact CB-CE1 3.71Å; L70-F185 HydrophobicContact CB-CZ 4.15Å; L70-F185 HydrophobicContact CD1-CE1 3.99Å; L70-M191 HydrophobicContact CD1-CE 4.38Å; L70-M191 HydrophobicContact CD1-SD 4Å
71F95.4Very high93.9Very high7 Ų737.6 Ų37.63%0.03119%0.192CC..Hα-helixtrans-64.9-46.9177.6-167-89.9000111.4L67 L68 D69 D73 H74 Y75 V77 I85 L180 L181 T184 F185L67-F71 WeakPolarHBondContact O-CB 3.12Å; L67-F71 PolarHBondContact O-N 3Å; L68-F71 PolarHBondContact O-N 2.75Å; D69-F71 VanDerWaalsContact C-N 3.33Å; D69-F71 PolarHBondContact O-N 2.91Å; F71-D73 PolarHBondContact O-N 3.44Å; F71-H74 PolarHBondContact O-N 2.87Å; F71-Y75 HydrophobicContact CD1-CD2 4.17Å; F71-Y75 AromaticContact CD2-CD2 3.85Å; F71-Y75 HydrophobicContact CD2-CD2 3.85Å; F71-Y75 AromaticContact CD2-CE2 4Å; F71-Y75 HydrophobicContact CD2-CE2 4Å; F71-Y75 HydrophobicContact CE1-CD2 4.01Å; F71-Y75 HydrophobicContact CE1-CG 4.26Å; F71-Y75 AromaticContact CE2-CD2 3.71Å; F71-Y75 HydrophobicContact CE2-CD2 3.71Å; F71-Y75 AromaticContact CE2-CE2 3.78Å; F71-Y75 HydrophobicContact CE2-CE2 3.78Å; F71-Y75 HydrophobicContact CE2-CG 4.48Å; F71-Y75 HydrophobicContact CG-CD2 4.1Å; F71-Y75 AromaticContact CZ-CD2 3.79Å; F71-Y75 HydrophobicContact CZ-CD2 3.79Å; F71-Y75 HydrophobicContact CZ-CE2 4.25Å; F71-Y75 HydrophobicContact CZ-CG 4.15Å; F71-Y75 WeakPolarHBondContact O-CD2 3.25Å; F71-Y75 PolarHBondContact O-N 3.47Å; F71-Y75 VanDerWaalsContact O-N 3.11Å; F71-V77 HydrophobicContact CD1-CG2 4.22Å; F71-V77 HydrophobicContact CE1-CG2 3.78Å; F71-I85 HydrophobicContact CD1-CD1 3.93Å; F71-I85 HydrophobicContact CD1-CG1 4.42Å; F71-I85 HydrophobicContact CD1-CG2 3.81Å; F71-I85 HydrophobicContact CE1-CD1 3.4Å; F71-I85 VanDerWaalsContact CE1-CD1 3.4Å; F71-I85 HydrophobicContact CE1-CG1 4.03Å; F71-I85 HydrophobicContact CE1-CG2 4.25Å; F71-I85 HydrophobicContact CG-CG2 4.18Å; F71-I85 HydrophobicContact CZ-CD1 4.22Å; F71-L180 HydrophobicContact CE2-CD2 4.42Å; F71-L180 HydrophobicContact CE2-CG 4.4Å; F71-L180 HydrophobicContact CZ-CD2 4.13Å; F71-L181 HydrophobicContact CB-CD2 4.3Å; F71-L181 HydrophobicContact CD2-CD2 3.39Å; F71-L181 HydrophobicContact CE2-CD2 3.83Å; F71-L181 HydrophobicContact CG-CD2 3.9Å; F71-T184 HydrophobicContact CD2-CG2 4.13Å; F71-T184 HydrophobicContact CE2-CG2 4.44Å; F71-F185 HydrophobicContact CB-CZ 4.37Å
72M95.1Very high93.9Very high2 Ų237 Ų371%0.0119%0.19CC..Hα-helixtrans-61.9-31.3177.1-71.6-174.5-56.700112.6S34 R40 L68 D69 H74 L82S34-M72 WeakPolarHBondContact CB-O 3.44Å; S34-M72 PolarHBondContact OG-O 3.34Å; R40-M72 HydrophobicContact CB-CE 4.22Å; R40-M72 HydrophobicContact CG-CE 3.91Å; L68-M72 HydrophobicContact CD1-CG 4.19Å; L68-M72 HydrophobicContact CD1-SD 4.28Å; L68-M72 HydrophobicContact CD2-CE 4.36Å; L68-M72 HydrophobicContact CG-CE 3.85Å; L68-M72 HydrophobicContact CG-CG 4.41Å; L68-M72 HydrophobicContact CG-SD 4.15Å; L68-M72 WeakPolarHBondContact O-CB 3.31Å; L68-M72 WeakPolarHBondContact O-CG 3.39Å; L68-M72 PolarHBondContact O-N 2.83Å; D69-M72 PolarHBondContact O-N 3.2Å; M72-H74 VanDerWaalsContact C-N 3.31Å; M72-L82 HydrophobicContact CG-CD1 3.67Å; M72-L82 HydrophobicContact SD-CD1 3.81Å; M72-L82 HydrophobicContact SD-CD2 3.93Å; M72-L82 HydrophobicContact SD-CG 4.39Å
73D93.6Very high93.8Very high18 Ų1837.5 Ų37.510%0.09619%0.191CC..Hα-helixtrans-73-23179.3-159.550.1000113.1Y30 R31 A32 N33 D69 L70 F71Y30-D73 HydrophobicContact CD2-CB 3.93Å; Y30-D73 HydrophobicContact CE2-CB 3.86Å; R31-D73 WeakPolarHBondContact CB-OD2 3.42Å; R31-D73 PolarHBondContact N-OD2 3.04Å; A32-D73 WeakPolarHBondContact CA-OD1 3.37Å; A32-D73 PolarHBondContact N-OD1 3.12Å; N33-D73 PolarHBondContact N-OD1 2.92Å; D69-D73 WeakPolarHBondContact O-CB 3.3Å; D69-D73 PolarHBondContact O-N 3.32Å; L70-D73 PolarHBondContact O-N 2.82Å; F71-D73 PolarHBondContact O-N 3.44Å
74H91.2Very high93.7Very high108 Ų10838.5 Ų38.550%0.520%0.196SC..Hα-helixtrans-101.2-19.4-178.5-69.2-49.6000114.4L70 F71 M72L70-H74 PolarHBondContact O-CD2 3.39Å; L70-H74 PolarHBondContact O-N 3.43Å; F71-H74 PolarHBondContact O-N 2.87Å; M72-H74 VanDerWaalsContact C-N 3.31Å
75Y92Very high93.6Very high100 Ų10038.5 Ų38.539%0.39220%0.196SC..  trans-130.6142.8-172.1-62.4-81.7000113Q36 F71 T184Q36-Y75 PolarHBondContact NE2-O 2.69Å; Q36-Y75 VanDerWaalsContact NE2-O 3.17Å; F71-Y75 HydrophobicContact CD1-CD2 4.17Å; F71-Y75 AromaticContact CD2-CD2 3.85Å; F71-Y75 HydrophobicContact CD2-CD2 3.85Å; F71-Y75 AromaticContact CD2-CE2 4Å; F71-Y75 HydrophobicContact CD2-CE2 4Å; F71-Y75 HydrophobicContact CE1-CD2 4.01Å; F71-Y75 HydrophobicContact CE1-CG 4.26Å; F71-Y75 AromaticContact CE2-CD2 3.71Å; F71-Y75 HydrophobicContact CE2-CD2 3.71Å; F71-Y75 AromaticContact CE2-CE2 3.78Å; F71-Y75 HydrophobicContact CE2-CE2 3.78Å; F71-Y75 HydrophobicContact CE2-CG 4.48Å; F71-Y75 HydrophobicContact CG-CD2 4.1Å; F71-Y75 AromaticContact CZ-CD2 3.79Å; F71-Y75 HydrophobicContact CZ-CD2 3.79Å; F71-Y75 HydrophobicContact CZ-CE2 4.25Å; F71-Y75 HydrophobicContact CZ-CG 4.15Å; F71-Y75 WeakPolarHBondContact O-CD2 3.25Å; F71-Y75 PolarHBondContact O-N 3.47Å; F71-Y75 VanDerWaalsContact O-N 3.11Å; Y75-T184 HydrophobicContact CE2-CG2 3.73Å
76D92.5Very high93.5Very high138 Ų13838.5 Ų38.574%0.73820%0.196SC*.  trans-87.2119.6163.4-167.415.5000110P35 Q36P35-D76 HydrophobicContact CG-CB 4.25Å; P35-D76 VanDerWaalsContact CG-OD1 3.24Å; P35-D76 WeakPolarHBondContact CG-OD1 3.09Å; Q36-D76 PolarHBondContact NE2-OD1 3.47Å
77V92.1Very high93.3Very high15 Ų1537.4 Ų37.49%0.09119%0.192CC..  trans-131.4126.6-164-1780000108.6F71 Q81 L82 I85F71-V77 HydrophobicContact CD1-CG2 4.22Å; F71-V77 HydrophobicContact CE1-CG2 3.78Å; V77-Q81 HydrophobicContact CG1-CB 3.88Å; V77-Q81 HydrophobicContact CG1-CG 4.3Å; V77-L82 HydrophobicContact CG1-CB 4.14Å; V77-L82 HydrophobicContact CG1-CD1 4.28Å; V77-I85 HydrophobicContact CB-CD1 4.45Å; V77-I85 HydrophobicContact CG1-CD1 3.4Å; V77-I85 HydrophobicContact CG2-CD1 4.19Å
78A91.9Very high93.2Very high72 Ų7237.4 Ų37.460%0.59519%0.192SC*.  trans-65142.6172.500000111.4K80 Q81 L82A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 3.07Å; A78-K80 VanDerWaalsContact O-N 3.11Å; A78-Q81 WeakPolarHBondContact O-CA 3.46Å; A78-Q81 WeakPolarHBondContact O-CB 3.43Å; A78-Q81 PolarHBondContact O-N 3.14Å; A78-L82 PolarHBondContact O-N 3.05Å; A78-L82 VanDerWaalsContact O-N 3.1Å
79V90.4Very high93.1Very high70 Ų7037.4 Ų37.442%0.42419%0.192SC..Hα-helixtrans-48.6-45.3-176.5177.60000113.4M39 Q81 L82 Y83M39-V79 HydrophobicContact CE-CB 4.36Å; M39-V79 HydrophobicContact CE-CG1 3.5Å; M39-V79 VanDerWaalsContact CE-CG1 3.5Å; M39-V79 HydrophobicContact CE-CG2 4.05Å; M39-V79 HydrophobicContact SD-CB 4.46Å; M39-V79 HydrophobicContact SD-CG1 4.21Å; M39-V79 HydrophobicContact SD-CG2 3.63Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.39Å; V79-L82 WeakPolarHBondContact O-CB 3.47Å; V79-L82 PolarHBondContact O-N 2.93Å; V79-L82 VanDerWaalsContact O-N 3.17Å; V79-Y83 HydrophobicContact CG1-CE2 4Å; V79-Y83 VanDerWaalsContact O-CD2 3.22Å; V79-Y83 WeakPolarHBondContact O-CD2 3.44Å
80K88.3Confident92.8Very high130 Ų13037.6 Ų37.657%0.56519%0.193SC*.Hα-helixtrans-60.2-41.4178.5-73.3-169.5178.2-170.90112.5A78 L82 Y83 L167A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 3.07Å; A78-K80 VanDerWaalsContact O-N 3.11Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 3.22Å; K80-Y83 PolarHBondContact O-N 3.32Å; K80-L167 HydrophobicContact CB-CD2 3.99Å; K80-L167 HydrophobicContact CD-CD2 4.35Å; K80-L167 HydrophobicContact CG-CD2 4.21Å
81Q91.5Very high92.5Very high83 Ų8338.2 Ų38.239%0.38820%0.196SC..Hα-helixtrans-69.4-30.8179.2-161.867.45.900111.4V77 A78 V79 Y83 I84 I85 M177V77-Q81 HydrophobicContact CG1-CB 3.88Å; V77-Q81 HydrophobicContact CG1-CG 4.3Å; A78-Q81 WeakPolarHBondContact O-CA 3.46Å; A78-Q81 WeakPolarHBondContact O-CB 3.43Å; A78-Q81 PolarHBondContact O-N 3.14Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.39Å; Q81-Y83 VanDerWaalsContact C-N 3.28Å; Q81-Y83 PolarHBondContact O-N 3.33Å; Q81-I84 WeakPolarHBondContact O-CB 3.47Å; Q81-I84 PolarHBondContact O-N 3.45Å; Q81-I85 HydrophobicContact CG-CD1 4.01Å; Q81-I85 WeakPolarHBondContact O-CD1 3.35Å; Q81-I85 WeakPolarHBondContact O-CG1 3.5Å; Q81-I85 PolarHBondContact O-N 3.29Å; Q81-M177 HydrophobicContact CG-CE 4.06Å
82L93.4Very high92.2Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-63-32.3-179.9-16555.3000112.7Q36 F43 L68 M72 V77 A78 V79 K80 I85 A86Q36-L82 HydrophobicContact CB-CD2 4.15Å; Q36-L82 HydrophobicContact CG-CD2 4.44Å; F43-L82 HydrophobicContact CD2-CD2 3.7Å; F43-L82 HydrophobicContact CD2-CG 3.96Å; F43-L82 HydrophobicContact CE1-CB 4.44Å; F43-L82 HydrophobicContact CE1-CG 4.21Å; F43-L82 HydrophobicContact CE2-CB 4.06Å; F43-L82 HydrophobicContact CE2-CD2 3.25Å; F43-L82 HydrophobicContact CE2-CG 3.51Å; F43-L82 HydrophobicContact CG-CG 4.5Å; F43-L82 HydrophobicContact CZ-CB 3.78Å; F43-L82 HydrophobicContact CZ-CD2 3.88Å; F43-L82 HydrophobicContact CZ-CG 3.64Å; L68-L82 HydrophobicContact CD1-CD1 3.71Å; M72-L82 HydrophobicContact CG-CD1 3.67Å; M72-L82 HydrophobicContact SD-CD1 3.81Å; M72-L82 HydrophobicContact SD-CD2 3.93Å; M72-L82 HydrophobicContact SD-CG 4.39Å; V77-L82 HydrophobicContact CG1-CB 4.14Å; V77-L82 HydrophobicContact CG1-CD1 4.28Å; A78-L82 PolarHBondContact O-N 3.05Å; A78-L82 VanDerWaalsContact O-N 3.1Å; V79-L82 WeakPolarHBondContact O-CB 3.47Å; V79-L82 PolarHBondContact O-N 2.93Å; V79-L82 VanDerWaalsContact O-N 3.17Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 3.22Å; L82-I85 PolarHBondContact O-N 3.36Å; L82-A86 VanDerWaalsContact O-CB 3.32Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.05Å
83Y92.9Very high91.9Very high14 Ų1438.1 Ų38.16%0.05520%0.196CC..Hα-helixtrans-62.3-43.9170.3-72.5-88.1000112.6Y42 F43 L46 V79 K80 Q81 I85 A86 L87 F161 L165 L167Y42-Y83 AromaticContact CE1-CE1 3.67Å; Y42-Y83 HydrophobicContact CE1-CE1 3.67Å; Y42-Y83 AromaticContact CE1-CZ 3.64Å; Y42-Y83 WeakPolarHBondContact CE1-OH 3.38Å; Y42-Y83 VanDerWaalsContact CZ-OH 3.27Å; Y42-Y83 WeakPolarHBondContact OH-CE1 3.39Å; Y42-Y83 PolarHBondContact OH-OH 3.01Å; F43-Y83 AromaticContact CE1-CD1 3.68Å; F43-Y83 HydrophobicContact CE1-CD1 3.68Å; F43-Y83 HydrophobicContact CE1-CD2 4.09Å; F43-Y83 AromaticContact CE1-CE1 3.89Å; F43-Y83 HydrophobicContact CE1-CE1 3.89Å; F43-Y83 HydrophobicContact CE1-CE2 4.25Å; F43-Y83 AromaticContact CE1-CG 3.79Å; F43-Y83 HydrophobicContact CE1-CG 3.79Å; F43-Y83 HydrophobicContact CZ-CD1 4.23Å; F43-Y83 AromaticContact CZ-CD2 3.89Å; F43-Y83 HydrophobicContact CZ-CD2 3.89Å; F43-Y83 HydrophobicContact CZ-CE1 4.19Å; F43-Y83 AromaticContact CZ-CE2 3.82Å; F43-Y83 HydrophobicContact CZ-CE2 3.82Å; F43-Y83 HydrophobicContact CZ-CG 4.09Å; F43-Y83 AromaticContact CZ-CZ 3.97Å; L46-Y83 HydrophobicContact CD2-CD1 3.81Å; L46-Y83 HydrophobicContact CD2-CE1 3.91Å; V79-Y83 HydrophobicContact CG1-CE2 4Å; V79-Y83 VanDerWaalsContact O-CD2 3.22Å; V79-Y83 WeakPolarHBondContact O-CD2 3.44Å; K80-Y83 PolarHBondContact O-N 3.32Å; Q81-Y83 VanDerWaalsContact C-N 3.28Å; Q81-Y83 PolarHBondContact O-N 3.33Å; Y83-I85 VanDerWaalsContact C-N 3.35Å; Y83-A86 PolarHBondContact O-N 3.41Å; Y83-L87 VanDerWaalsContact O-CG 3.29Å; Y83-L87 WeakPolarHBondContact O-CG 3.29Å; Y83-L87 PolarHBondContact O-N 3.03Å; Y83-F161 AromaticContact CD1-CD2 3.68Å; Y83-F161 HydrophobicContact CD1-CD2 3.68Å; Y83-F161 AromaticContact CD1-CE2 3.64Å; Y83-F161 HydrophobicContact CD1-CE2 3.64Å; Y83-F161 AromaticContact CE1-CD2 3.86Å; Y83-F161 HydrophobicContact CE1-CD2 3.86Å; Y83-F161 HydrophobicContact CE1-CE2 4.25Å; Y83-L165 HydrophobicContact CD1-CD1 4.04Å; Y83-L165 HydrophobicContact CD2-CD1 3.87Å; Y83-L165 HydrophobicContact CE1-CD1 3.58Å; Y83-L165 HydrophobicContact CE2-CD1 3.41Å; Y83-L165 VanDerWaalsContact CE2-CD1 3.41Å; Y83-L165 HydrophobicContact CG-CD1 4.17Å; Y83-L167 HydrophobicContact CD2-CD1 3.98Å; Y83-L167 HydrophobicContact CG-CD1 3.87Å
84I91.9Very high91.4Very high23 Ų2338.5 Ų38.512%0.11820%0.197CC..Hα-helixtrans-65.5-43.3179.2-54.2-177.9000109.8Q81 L87 S88 L169 M177Q81-I84 WeakPolarHBondContact O-CB 3.47Å; Q81-I84 PolarHBondContact O-N 3.45Å; I84-L87 PolarHBondContact O-N 3.21Å; I84-S88 WeakPolarHBondContact O-CB 3.26Å; I84-S88 PolarHBondContact O-N 2.95Å; I84-S88 PolarHBondContact O-OG 2.84Å; I84-L169 HydrophobicContact CB-CD2 4.15Å; I84-L169 HydrophobicContact CD1-CD2 4.34Å; I84-L169 HydrophobicContact CG1-CD2 3.81Å; I84-L169 HydrophobicContact CG2-CD2 3.75Å; I84-M177 HydrophobicContact CG2-CB 4.22Å; I84-M177 HydrophobicContact CG2-CE 4.44Å; I84-M177 HydrophobicContact CG2-CG 4.16Å
85I95.1Very high90.8Very high1 Ų135.5 Ų35.51%0.00518%0.182CC..Hα-helixtrans-61.1-49.4176.3-68.8154.3000110.6L68 F71 V77 Q81 L82 Y83 L87 S88 C89 M177 L181L68-I85 HydrophobicContact CD1-CG2 3.75Å; F71-I85 HydrophobicContact CD1-CD1 3.93Å; F71-I85 HydrophobicContact CD1-CG1 4.42Å; F71-I85 HydrophobicContact CD1-CG2 3.81Å; F71-I85 HydrophobicContact CE1-CD1 3.4Å; F71-I85 VanDerWaalsContact CE1-CD1 3.4Å; F71-I85 HydrophobicContact CE1-CG1 4.03Å; F71-I85 HydrophobicContact CE1-CG2 4.25Å; F71-I85 HydrophobicContact CG-CG2 4.18Å; F71-I85 HydrophobicContact CZ-CD1 4.22Å; V77-I85 HydrophobicContact CB-CD1 4.45Å; V77-I85 HydrophobicContact CG1-CD1 3.4Å; V77-I85 HydrophobicContact CG2-CD1 4.19Å; Q81-I85 HydrophobicContact CG-CD1 4.01Å; Q81-I85 WeakPolarHBondContact O-CD1 3.35Å; Q81-I85 WeakPolarHBondContact O-CG1 3.5Å; Q81-I85 PolarHBondContact O-N 3.29Å; L82-I85 PolarHBondContact O-N 3.36Å; Y83-I85 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 2.89Å; I85-S88 WeakPolarHBondContact O-CB 3.49Å; I85-S88 PolarHBondContact O-N 3.19Å; I85-S88 VanDerWaalsContact O-N 3.12Å; I85-C89 PolarHBondContact O-N 3.39Å; I85-C89 PolarHBondContact O-SG 3.48Å; I85-C89 VanDerWaalsContact O-SG 3.34Å; I85-M177 HydrophobicContact CB-SD 4.46Å; I85-M177 HydrophobicContact CD1-CE 4.33Å; I85-M177 HydrophobicContact CD1-SD 4.41Å; I85-M177 HydrophobicContact CG1-CE 3.67Å; I85-M177 HydrophobicContact CG1-CG 4.22Å; I85-M177 HydrophobicContact CG1-SD 3.41Å; I85-M177 WeakPolarHBondContact CG1-SD 3.31Å; I85-L181 HydrophobicContact CG2-CD2 4.22Å
86A95.2Very high89.9Confident0 Ų033 Ų330%017%0.174CC..Hα-helixtrans-57.5-47.3179.400000111.7F43 L47 L68 L82 Y83 S88 C89 L90F43-A86 HydrophobicContact CD1-CB 3.76Å; F43-A86 HydrophobicContact CE1-CB 4.28Å; L47-A86 HydrophobicContact CD2-CB 4.24Å; L47-A86 WeakPolarHBondContact CD2-O 3.25Å; L47-A86 HydrophobicContact CG-CB 4.48Å; L68-A86 HydrophobicContact CD1-CB 4.28Å; L68-A86 HydrophobicContact CD2-CB 4.02Å; L82-A86 VanDerWaalsContact O-CB 3.32Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.05Å; Y83-A86 PolarHBondContact O-N 3.41Å; A86-S88 VanDerWaalsContact C-N 3.33Å; A86-S88 PolarHBondContact O-N 3.33Å; A86-C89 PolarHBondContact O-N 3.37Å; A86-L90 PolarHBondContact O-N 3.34Å
87L92.4Very high88.3Confident2 Ų227 Ų271%0.0114%0.144CC..Hα-helixtrans-62.3-40.3176.3-68.4176.6000112.2L50 Y83 I84 I85 L90 L91 L156 F161 M162 L169L50-L87 HydrophobicContact CD1-CD2 3.35Å; Y83-L87 VanDerWaalsContact O-CG 3.29Å; Y83-L87 WeakPolarHBondContact O-CG 3.29Å; Y83-L87 PolarHBondContact O-N 3.03Å; I84-L87 PolarHBondContact O-N 3.21Å; I85-L87 PolarHBondContact O-N 2.89Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 PolarHBondContact O-N 2.94Å; L87-L91 WeakPolarHBondContact O-CG 3.39Å; L87-L91 PolarHBondContact O-N 2.81Å; L87-L156 HydrophobicContact CD2-CD2 4.25Å; L87-F161 HydrophobicContact CD1-CZ 4.31Å; L87-F161 HydrophobicContact CD2-CZ 4.43Å; L87-M162 HydrophobicContact CD1-SD 4.21Å; L87-L169 HydrophobicContact CD1-CD1 3.59Å
88S93Very high86.5Confident0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-65-42.6176.9-55.10000111.6I84 I85 A86 L90 L91 L92 L174 M177 L181I84-S88 WeakPolarHBondContact O-CB 3.26Å; I84-S88 PolarHBondContact O-N 2.95Å; I84-S88 PolarHBondContact O-OG 2.84Å; I85-S88 WeakPolarHBondContact O-CB 3.49Å; I85-S88 PolarHBondContact O-N 3.19Å; I85-S88 VanDerWaalsContact O-N 3.12Å; A86-S88 VanDerWaalsContact C-N 3.33Å; A86-S88 PolarHBondContact O-N 3.33Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.91Å; S88-L91 PolarHBondContact O-N 3Å; S88-L92 WeakPolarHBondContact O-CB 3.4Å; S88-L92 WeakPolarHBondContact O-CG 3.37Å; S88-L92 PolarHBondContact O-N 3.31Å; S88-L174 WeakPolarHBondContact OG-CD1 3.39Å; S88-M177 WeakPolarHBondContact OG-CG 3.48Å; S88-L181 VanDerWaalsContact CB-CD1 3.48Å
89C95.4Very high84.3Confident0 Ų027.9 Ų27.90%014%0.14CC..Hα-helixtrans-58-41.4172.9-70.40000111.7A64 L67 I85 A86 A93A64-C89 HydrophobicContact CB-CB 4.48Å; A64-C89 WeakPolarHBondContact O-CB 3.4Å; L67-C89 HydrophobicContact CB-CB 4.17Å; I85-C89 PolarHBondContact O-N 3.39Å; I85-C89 PolarHBondContact O-SG 3.48Å; I85-C89 VanDerWaalsContact O-SG 3.34Å; A86-C89 PolarHBondContact O-N 3.37Å; C89-A93 VanDerWaalsContact O-CB 3.22Å; C89-A93 WeakPolarHBondContact O-CB 3.26Å; C89-A93 PolarHBondContact O-N 3.43Å
90L91.1Very high81.8Confident5 Ų526.9 Ų26.93%0.02614%0.136CC..Hα-helixtrans-64.5-44.2177.5-167.561.8000112.4L47 L50 L56 A64 A86 L87 S88 A93 K94L47-L90 HydrophobicContact CD2-CB 3.84Å; L47-L90 HydrophobicContact CD2-CD1 4.26Å; L47-L90 HydrophobicContact CD2-CD2 4.12Å; L47-L90 HydrophobicContact CD2-CG 4.29Å; L50-L90 HydrophobicContact CB-CD2 3.68Å; L50-L90 HydrophobicContact CD1-CD2 4.3Å; L56-L90 HydrophobicContact CD1-CD1 3.69Å; L56-L90 HydrophobicContact CD1-CD2 4.15Å; L56-L90 HydrophobicContact CD1-CG 3.79Å; A64-L90 HydrophobicContact CB-CB 4.29Å; A64-L90 HydrophobicContact CB-CD1 3.8Å; A86-L90 PolarHBondContact O-N 3.34Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 PolarHBondContact O-N 2.94Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.91Å; L90-A93 PolarHBondContact O-N 3.41Å; L90-K94 PolarHBondContact O-N 2.87Å
91L88.1Confident79.4Confident15 Ų1525.3 Ų25.38%0.07914%0.14CC..Hα-helixtrans-64.9-46.3178-68.8172.7000111.5L87 S88 A93 K94 K95 P151 L156 L174 E178L87-L91 WeakPolarHBondContact O-CG 3.39Å; L87-L91 PolarHBondContact O-N 2.81Å; S88-L91 PolarHBondContact O-N 3Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 2.88Å; L91-K94 PolarHBondContact O-N 3.35Å; L91-K95 WeakPolarHBondContact O-CG 3.42Å; L91-K95 PolarHBondContact O-N 2.81Å; L91-P151 HydrophobicContact CD2-CB 4.33Å; L91-P151 HydrophobicContact CD2-CG 4.1Å; L91-L156 HydrophobicContact CD1-CD1 4.05Å; L91-L156 HydrophobicContact CD2-CD1 4.45Å; L91-L174 HydrophobicContact CD1-CD1 4.07Å; L91-L174 HydrophobicContact CD1-CD2 3.81Å; L91-L174 HydrophobicContact CD1-CG 4.32Å; L91-E178 WeakPolarHBondContact CB-OE1 3.25Å
92L89.3Confident77.1Confident6 Ų627.1 Ų27.13%0.03114%0.143CC..Hα-helixtrans-59.8-44174.7-73.3178.5000111.6S88 K94 K95 Q96 E178 L181 L182 L189S88-L92 WeakPolarHBondContact O-CB 3.4Å; S88-L92 WeakPolarHBondContact O-CG 3.37Å; S88-L92 PolarHBondContact O-N 3.31Å; L92-K94 PolarHBondContact O-N 3.29Å; L92-K95 WeakPolarHBondContact O-CB 3.33Å; L92-K95 PolarHBondContact O-N 3.33Å; L92-Q96 WeakPolarHBondContact O-CB 3.47Å; L92-Q96 PolarHBondContact O-N 3.49Å; L92-E178 HydrophobicContact CD2-CB 4.16Å; L92-E178 HydrophobicContact CD2-CG 4.22Å; L92-E178 HydrophobicContact CG-CB 4.45Å; L92-E178 HydrophobicContact CG-CG 4.21Å; L92-L181 HydrophobicContact CD1-CB 3.63Å; L92-L181 HydrophobicContact CD1-CD1 3.88Å; L92-L181 HydrophobicContact CD1-CG 4.42Å; L92-L182 HydrophobicContact CD1-CG 4.42Å; L92-L182 HydrophobicContact CD2-CD1 4.2Å; L92-L182 HydrophobicContact CD2-CD2 4.29Å; L92-L182 HydrophobicContact CD2-CG 4.15Å; L92-L189 HydrophobicContact CB-CD1 4.07Å; L92-L189 HydrophobicContact CD2-CD1 4.32Å
93A88.9Confident74.2Confident0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-66.2-36.917900000113A60 L63 A64 C89 L90 L91 Q96 S97A60-A93 HydrophobicContact CB-CB 4.46Å; A60-A93 WeakPolarHBondContact O-CB 3.48Å; L63-A93 HydrophobicContact CB-CB 4Å; L63-A93 HydrophobicContact CD2-CB 4.04Å; L63-A93 HydrophobicContact CG-CB 3.99Å; A64-A93 HydrophobicContact CB-CB 3.88Å; C89-A93 VanDerWaalsContact O-CB 3.22Å; C89-A93 WeakPolarHBondContact O-CB 3.26Å; C89-A93 PolarHBondContact O-N 3.43Å; L90-A93 PolarHBondContact O-N 3.41Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 3.11Å; A93-S97 WeakPolarHBondContact O-CB 3.27Å; A93-S97 PolarHBondContact O-N 3.45Å; A93-S97 PolarHBondContact O-OG 3.44Å
94K82.9Confident71.1Confident26 Ų2636.4 Ų36.411%0.11320%0.197CC..Hα-helixtrans-65.4-44.8172.1173.155.2-178.995.30111.3L56 L90 L91 L92 Q96 S97 G98 E145L56-K94 HydrophobicContact CD1-CB 4.48Å; L56-K94 HydrophobicContact CD2-CB 4.31Å; L56-K94 HydrophobicContact CD2-CD 3.82Å; L56-K94 HydrophobicContact CD2-CG 3.97Å; L90-K94 PolarHBondContact O-N 2.87Å; L91-K94 PolarHBondContact O-N 3.35Å; L92-K94 PolarHBondContact O-N 3.29Å; K94-Q96 VanDerWaalsContact C-N 3.3Å; K94-Q96 PolarHBondContact O-N 2.92Å; K94-S97 PolarHBondContact O-N 3.34Å; K94-G98 PolarHBondContact O-N 3.48Å; K94-G98 VanDerWaalsContact O-N 3.07Å; K94-E145 IonicContact NZ-OE1 3.58Å; K94-E145 PolarHBondContact NZ-OE1 3.45Å
95K78.7Confident68.2Low46 Ų4639.5 Ų39.520%0.222%0.221CC..Hα-helixtrans-56-47.3175.5-73.2168.3178169.40110.5L91 L92 G98 L99 E178L91-K95 WeakPolarHBondContact O-CG 3.42Å; L91-K95 PolarHBondContact O-N 2.81Å; L92-K95 WeakPolarHBondContact O-CB 3.33Å; L92-K95 PolarHBondContact O-N 3.33Å; K95-G98 PolarHBondContact O-N 3.3Å; K95-L99 WeakPolarHBondContact O-CD1 3.13Å; K95-E178 IonicContact NZ-OE1 3.57Å; K95-E178 PolarHBondContact NZ-OE1 3.5Å; K95-E178 IonicContact NZ-OE2 2.74Å; K95-E178 PolarHBondContact NZ-OE2 2.91Å
96Q72.1Confident65.1Low46 Ų4650 Ų5022%0.21527%0.267CS..Hα-helixtrans-63.8-41.2177.3-177.56022.600113.2L63 L92 A93 K94 G98 L99 S100 L189 C190L63-Q96 HydrophobicContact CD2-CB 4.06Å; L63-Q96 HydrophobicContact CD2-CG 3.87Å; L92-Q96 WeakPolarHBondContact O-CB 3.47Å; L92-Q96 PolarHBondContact O-N 3.49Å; A93-Q96 PolarHBondContact O-N 3.11Å; K94-Q96 VanDerWaalsContact C-N 3.3Å; K94-Q96 PolarHBondContact O-N 2.92Å; Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 3.2Å; Q96-L99 WeakPolarHBondContact O-CB 3.46Å; Q96-L99 PolarHBondContact O-N 3.27Å; Q96-L99 VanDerWaalsContact O-N 3.1Å; Q96-S100 PolarHBondContact O-N 3.5Å; Q96-L189 HydrophobicContact CB-CB 4.38Å; Q96-L189 HydrophobicContact CG-CB 4.05Å; Q96-C190 PolarHBondContact NE2-SG 2.74Å
97S59.9Low62Low14 Ų1453.2 Ų53.210%0.09829%0.293CS..Hα-helixtrans-71.5-25-177.7-59.10000113.2A60 A93 K94 L99A60-S97 WeakPolarHBondContact CA-OG 3.17Å; A60-S97 WeakPolarHBondContact CB-OG 3.25Å; A93-S97 WeakPolarHBondContact O-CB 3.27Å; A93-S97 PolarHBondContact O-N 3.45Å; A93-S97 PolarHBondContact O-OG 3.44Å; K94-S97 PolarHBondContact O-N 3.34Å; S97-L99 VanDerWaalsContact C-N 3.3Å
98G54.6Low59.3Low14 Ų1463.6 Ų63.614%0.14433%0.334CS..Hα-helixtrans-70.4-24.7169.400000113.4K94 K95 Q96K94-G98 PolarHBondContact O-N 3.48Å; K94-G98 VanDerWaalsContact O-N 3.07Å; K95-G98 PolarHBondContact O-N 3.3Å; Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 3.2Å
99L45.2Very low56.5Low90 Ų9067.5 Ų67.547%0.47136%0.36SS..THydrogen-bonded Turntrans-86.6-6.9179.1-68.6158.3000113.9K95 Q96 S97K95-L99 WeakPolarHBondContact O-CD1 3.13Å; Q96-L99 WeakPolarHBondContact O-CB 3.46Å; Q96-L99 PolarHBondContact O-N 3.27Å; Q96-L99 VanDerWaalsContact O-N 3.1Å; S97-L99 VanDerWaalsContact C-N 3.3Å
100S38.4Very low53.5Low49 Ų4972.3 Ų72.334%0.34339%0.394SS..SBendtrans-66.5144177.3-169.30000110.2Q96 R102Q96-S100 PolarHBondContact O-N 3.5Å; S100-R102 PolarHBondContact O-N 3.3Å
101P38.4Very low50.7Low98 Ų9874.6 Ų74.664%0.63641%0.41SS*.SBendtrans-72.560.6-166.531.9-37.5000113.5
102R43.1Very low48.5Very low120 Ų12074.9 Ų74.945%0.45341%0.411SS..SBendtrans-84.3-14.7165.4-80.1-179.5156.7140.9-7.1111.7E4 S100E4-R102 IonicContact OE2-CZ 2.86Å; E4-R102 IonicContact OE2-NE 3.62Å; E4-R102 IonicContact OE2-NH2 3.93Å; E4-R102 PolarHBondContact OE2-NH2 3.03Å; S100-R102 PolarHBondContact O-N 3.3Å
103S32.6Very low46.1Very low46 Ų4682 Ų8232%0.32244%0.442SS..SBendtrans-110.7128.1171.449.60000109.3S105S103-S105 PolarHBondContact O-N 3.43Å
104N27.7Very low43.9Very low164 Ų16485 Ų8588%0.87746%0.456SS*.SBendtrans-68.969.5171-84.6-12.2000110.4
105S29.7Very low42Very low88 Ų8885.9 Ų85.962%0.61546%0.462SS*.  trans-149.3120.7166.1-89.40000110.1S103 A107S103-S105 PolarHBondContact O-N 3.43Å; S105-A107 PolarHBondContact O-N 3.5Å
106F30.2Very low40.2Very low220 Ų22087.8 Ų87.897%0.96547%0.474SS*.  trans-6554.6158.8-84.7-93.1000110.3
107A29.5Very low38.8Very low68 Ų6888.5 Ų88.556%0.56248%0.479SS*.  trans-112.289.5174.900000107.8S105S105-A107 PolarHBondContact O-N 3.5Å
108Y36.7Very low38Very low221 Ų22188 Ų8887%0.86748%0.475SS*.  trans-53.2143.1152.8-81.5-95000108.5
109C34.6Very low37.4Very low81 Ų8190.3 Ų90.355%0.54748%0.484SS..  trans68.4111.3176.8-78.90000116.7L112C109-L112 HydrophobicContact CB-CD1 3.87Å; C109-L112 VanDerWaalsContact SG-CD1 3.58Å
110S32Very low37.1Very low101 Ų10190.7 Ų90.771%0.70649%0.487SS*.  trans-174.6-8139.3-81.10000115.9L112S110-L112 PolarHBondContact O-N 3.22Å
111C32.7Very low37.3Very low54 Ų5492.1 Ų92.137%0.36549%0.493SS..  trans-82.343.7175.6-59.10000113.3
112L42.3Very low37.2Very low20 Ų2089.2 Ų89.211%0.10548%0.475CS..  trans-106.219.5-155-105.8132.3000115.9C109 S110 H114 I115 D116 I119C109-L112 HydrophobicContact CB-CD1 3.87Å; C109-L112 VanDerWaalsContact SG-CD1 3.58Å; S110-L112 PolarHBondContact O-N 3.22Å; L112-H114 PolarHBondContact O-N 2.95Å; L112-I115 HydrophobicContact CB-CG1 4.4Å; L112-I115 VanDerWaalsContact CD2-C 3.49Å; L112-I115 HydrophobicContact CD2-CB 3.54Å; L112-I115 HydrophobicContact CD2-CD1 3.83Å; L112-I115 HydrophobicContact CD2-CG1 3.42Å; L112-I115 VanDerWaalsContact CD2-CG1 3.42Å; L112-I115 HydrophobicContact CD2-CG2 3.4Å; L112-I115 HydrophobicContact CG-CB 4.34Å; L112-I115 HydrophobicContact CG-CD1 3.86Å; L112-I115 HydrophobicContact CG-CG1 3.66Å; L112-I115 HydrophobicContact CG-CG2 4.49Å; L112-I115 PolarHBondContact O-N 3.24Å; L112-D116 PolarHBondContact O-N 3.47Å; L112-I119 HydrophobicContact CD2-CD1 3.6Å
113F37.9Very low37.1Very low155 Ų15587.7 Ų87.768%0.6848%0.475SS*.THydrogen-bonded Turntrans-59.4-8.8-177.6-71.8-75.5000116E147F113-E147 WeakPolarHBondContact CE2-OE1 3.16Å
114H43.1Very low37.2Very low64 Ų6490 Ų9030%0.29649%0.491SS..THydrogen-bonded Turntrans-120.5-14.2171.6-111.9-77.9000114.8L112 I118 K171L112-H114 PolarHBondContact O-N 2.95Å; H114-I118 WeakPolarHBondContact O-CG1 3.29Å; H114-I118 PolarHBondContact O-N 3.26Å; H114-K171 WeakPolarHBondContact CE1-CE 3.12Å
115I43.5Very low37.8Very low44 Ų4486.4 Ų86.423%0.22648%0.484CS..Hα-helixtrans-95.8-8.5175.127.4167.6000112.8L112 D117 I118 I119L112-I115 HydrophobicContact CB-CG1 4.4Å; L112-I115 VanDerWaalsContact CD2-C 3.49Å; L112-I115 HydrophobicContact CD2-CB 3.54Å; L112-I115 HydrophobicContact CD2-CD1 3.83Å; L112-I115 HydrophobicContact CD2-CG1 3.42Å; L112-I115 VanDerWaalsContact CD2-CG1 3.42Å; L112-I115 HydrophobicContact CD2-CG2 3.4Å; L112-I115 HydrophobicContact CG-CB 4.34Å; L112-I115 HydrophobicContact CG-CD1 3.86Å; L112-I115 HydrophobicContact CG-CG1 3.66Å; L112-I115 HydrophobicContact CG-CG2 4.49Å; L112-I115 PolarHBondContact O-N 3.24Å; I115-D117 VanDerWaalsContact C-N 3.29Å; I115-I118 HydrophobicContact CB-CB 4.13Å; I115-I118 HydrophobicContact CB-CD1 4.32Å; I115-I118 HydrophobicContact CG2-CB 4.14Å; I115-I118 HydrophobicContact CG2-CG2 4.4Å; I115-I118 CarbonylContact O-C 3.57Å; I115-I118 PolarHBondContact O-N 3.41Å; I115-I119 HydrophobicContact CG2-CD1 3.65Å; I115-I119 HydrophobicContact CG2-CG1 3.59Å; I115-I119 WeakPolarHBondContact O-CA 3.41Å; I115-I119 WeakPolarHBondContact O-CB 3.38Å; I115-I119 VanDerWaalsContact O-CG1 3.25Å; I115-I119 WeakPolarHBondContact O-CG1 3.28Å; I115-I119 PolarHBondContact O-N 2.89Å
116D39.9Very low38.2Very low87 Ų8792.5 Ų92.547%0.46549%0.494SS..Hα-helixtrans-64-37.5160.2-73.6-32.1000111.1L112 N120L112-D116 PolarHBondContact O-N 3.47Å; D116-N120 WeakPolarHBondContact O-CA 3.44Å; D116-N120 WeakPolarHBondContact O-CB 3.06Å; D116-N120 PolarHBondContact O-N 3.16Å; D116-N120 PolarHBondContact O-ND2 3.46Å
117D42.3Very low38.3Very low61 Ų6185.9 Ų85.933%0.32647%0.472SS..Hα-helixtrans-66.9-39.7171.6-77.8-21.7000111.6I115 V121 K171 I175I115-D117 VanDerWaalsContact C-N 3.29Å; D117-V121 VanDerWaalsContact O-CB 3.31Å; D117-V121 WeakPolarHBondContact O-CB 3.5Å; D117-V121 WeakPolarHBondContact O-CG2 3.34Å; D117-V121 PolarHBondContact O-N 2.86Å; D117-K171 VanDerWaalsContact OD2-CE 3.32Å; D117-K171 WeakPolarHBondContact OD2-CE 3.45Å; D117-K171 IonicContact OD2-NZ 3.4Å; D117-K171 PolarHBondContact OD2-NZ 3.28Å; D117-I175 HydrophobicContact CB-CD1 4.27Å
118I42.6Very low38.5Very low2 Ų291 Ų911%0.0149%0.489CS..Hα-helixtrans-71.6-42.8178.7-69.4165.4000111.9H114 I115 V121 C122 I175 E178 L179H114-I118 WeakPolarHBondContact O-CG1 3.29Å; H114-I118 PolarHBondContact O-N 3.26Å; I115-I118 HydrophobicContact CB-CB 4.13Å; I115-I118 HydrophobicContact CB-CD1 4.32Å; I115-I118 HydrophobicContact CG2-CB 4.14Å; I115-I118 HydrophobicContact CG2-CG2 4.4Å; I115-I118 CarbonylContact O-C 3.57Å; I115-I118 PolarHBondContact O-N 3.41Å; I118-V121 PolarHBondContact O-N 3.37Å; I118-C122 VanDerWaalsContact O-CB 3.3Å; I118-C122 WeakPolarHBondContact O-CB 3.37Å; I118-C122 PolarHBondContact O-N 3.01Å; I118-C122 PolarHBondContact O-SG 2.67Å; I118-I175 HydrophobicContact CD1-CG2 4.44Å; I118-I175 HydrophobicContact CG1-CG2 3.73Å; I118-E178 HydrophobicContact CD1-CB 4.42Å; I118-L179 HydrophobicContact CG1-CG 4.36Å; I118-L179 HydrophobicContact CG2-CD1 4.15Å; I118-L179 HydrophobicContact CG2-CD2 3.3Å; I118-L179 HydrophobicContact CG2-CG 3.7Å
119I42.9Very low38Very low63 Ų6385 Ų8532%0.32348%0.48SS..Hα-helixtrans-66.5-41.6173.9-73.9168.8000109L112 I115 V121 C122 L123L112-I119 HydrophobicContact CD2-CD1 3.6Å; I115-I119 HydrophobicContact CG2-CD1 3.65Å; I115-I119 HydrophobicContact CG2-CG1 3.59Å; I115-I119 WeakPolarHBondContact O-CA 3.41Å; I115-I119 WeakPolarHBondContact O-CB 3.38Å; I115-I119 VanDerWaalsContact O-CG1 3.25Å; I115-I119 WeakPolarHBondContact O-CG1 3.28Å; I115-I119 PolarHBondContact O-N 2.89Å; I119-V121 VanDerWaalsContact C-N 3.32Å; I119-V121 PolarHBondContact O-N 2.8Å; I119-C122 CarbonylContact O-C 3.53Å; I119-C122 PolarHBondContact O-N 2.9Å; I119-L123 HydrophobicContact CG2-CD1 3.42Å; I119-L123 VanDerWaalsContact CG2-CD1 3.42Å; I119-L123 HydrophobicContact CG2-CG 3.85Å; I119-L123 WeakPolarHBondContact O-CA 3.47Å; I119-L123 WeakPolarHBondContact O-CB 3.39Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.32Å
120N38Very low38Very low99 Ų9986.8 Ų86.853%0.52949%0.49SS..Hα-helixtrans-64.7-36.4174-76.8-36.7000111.9D116 S124D116-N120 WeakPolarHBondContact O-CA 3.44Å; D116-N120 WeakPolarHBondContact O-CB 3.06Å; D116-N120 PolarHBondContact O-N 3.16Å; D116-N120 PolarHBondContact O-ND2 3.46Å; N120-S124 WeakPolarHBondContact O-CA 3.24Å; N120-S124 WeakPolarHBondContact O-CB 3.36Å; N120-S124 PolarHBondContact O-N 3.28Å
121V42.9Very low37.8Very low78 Ų7887.4 Ų87.447%0.47350%0.495SS..Hα-helixtrans-67.5-43.6171.9166.80000111.4D117 I118 I119 A125 L179D117-V121 VanDerWaalsContact O-CB 3.31Å; D117-V121 WeakPolarHBondContact O-CB 3.5Å; D117-V121 WeakPolarHBondContact O-CG2 3.34Å; D117-V121 PolarHBondContact O-N 2.86Å; I118-V121 PolarHBondContact O-N 3.37Å; I119-V121 VanDerWaalsContact C-N 3.32Å; I119-V121 PolarHBondContact O-N 2.8Å; V121-A125 WeakPolarHBondContact O-CB 3.44Å; V121-A125 PolarHBondContact O-N 3.5Å; V121-L179 HydrophobicContact CG1-CD1 4.29Å
122C37Very low38.3Very low38 Ų3891 Ų9126%0.25752%0.517SS..Hα-helixtrans-70.7-33.7177.2-730000113.3I118 I119 R126I118-C122 VanDerWaalsContact O-CB 3.3Å; I118-C122 WeakPolarHBondContact O-CB 3.37Å; I118-C122 PolarHBondContact O-N 3.01Å; I118-C122 PolarHBondContact O-SG 2.67Å; I119-C122 CarbonylContact O-C 3.53Å; I119-C122 PolarHBondContact O-N 2.9Å; C122-R126 WeakPolarHBondContact O-CB 3.47Å; C122-R126 PolarHBondContact O-N 2.79Å
123L40.4Very low37.4Very low88 Ų8895.1 Ų95.146%0.46155%0.548SS..Hα-helixtrans-72.6-44.5173.6-75.7172.4000109.4I119 A125 R126 T127I119-L123 HydrophobicContact CG2-CD1 3.42Å; I119-L123 VanDerWaalsContact CG2-CD1 3.42Å; I119-L123 HydrophobicContact CG2-CG 3.85Å; I119-L123 WeakPolarHBondContact O-CA 3.47Å; I119-L123 WeakPolarHBondContact O-CB 3.39Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.32Å; L123-A125 VanDerWaalsContact C-N 3.25Å; L123-A125 PolarHBondContact O-N 2.88Å; L123-R126 CarbonylContact O-C 3.59Å; L123-R126 PolarHBondContact O-N 2.92Å; L123-T127 WeakPolarHBondContact O-CG2 3.49Å; L123-T127 PolarHBondContact O-N 3.46Å; L123-T127 PolarHBondContact O-OG1 3.15Å
124S35.9Very low37.2Very low93 Ų9393.8 Ų93.865%0.6556%0.555SS**Hα-helixtrans-59.1-34.4173169.40000112.6N120 R126N120-S124 WeakPolarHBondContact O-CA 3.24Å; N120-S124 WeakPolarHBondContact O-CB 3.36Å; N120-S124 PolarHBondContact O-N 3.28Å; S124-R126 VanDerWaalsContact C-N 3.28Å
125A39Very low36.5Very low89 Ų8997.6 Ų97.674%0.73658%0.582SS**THydrogen-bonded Turntrans-75.5-15.9174.800000113.2V121 L123V121-A125 WeakPolarHBondContact O-CB 3.44Å; V121-A125 PolarHBondContact O-N 3.5Å; L123-A125 VanDerWaalsContact C-N 3.25Å; L123-A125 PolarHBondContact O-N 2.88Å
126R37.8Very low35.6Very low216 Ų21698.4 Ų98.482%0.81560%0.602SS**THydrogen-bonded Turntrans-111.1-8.8-174-158.1175.3-69.8-131.40.9113.7C122 L123 S124C122-R126 WeakPolarHBondContact O-CB 3.47Å; C122-R126 PolarHBondContact O-N 2.79Å; L123-R126 CarbonylContact O-C 3.59Å; L123-R126 PolarHBondContact O-N 2.92Å; S124-R126 VanDerWaalsContact C-N 3.28Å
127T33.2Very low35.1Very low82 Ų82101.9 Ų101.950%0.50362%0.62SS.*  trans-11179.1-177.1560000113.2L123 S129L123-T127 WeakPolarHBondContact O-CG2 3.49Å; L123-T127 PolarHBondContact O-N 3.46Å; L123-T127 PolarHBondContact O-OG1 3.15Å; T127-S129 VanDerWaalsContact C-N 3.27Å; T127-S129 PolarHBondContact O-N 2.94Å
128N32.8Very low34.5Very low174 Ų174104.8 Ų104.893%0.9364%0.64SS**SBendtrans-88.866.7144.4-93.6-22.7000108.8
129S27.7Very low33.7Very low96 Ų96110.6 Ų110.667%0.67168%0.676SS**SBendtrans174.615215754.90000111.6T127T127-S129 VanDerWaalsContact C-N 3.27Å; T127-S129 PolarHBondContact O-N 2.94Å
130P33.2Very low33Very low118 Ų118114 Ų11477%0.76670%0.699SS**  trans-98.8137.9-152.636.1-31.8000116.6
131S29.5Very low32.5Very low114 Ų114112.4 Ų112.480%0.79771%0.707SS**  trans58.6154.1138.269.40000123
132P41.9Very low31.9Very low130 Ų130118.6 Ų118.684%0.84473%0.727SS**  trans-118.8178.6-145.141.7-28.4000115.1
133S24.6Very low31.7Very low106 Ų106122 Ų12274%0.74174%0.738SS**  trans-122.5149.6163.156.70000111.4
134P33.1Very low31.3Very low128 Ų128126.5 Ų126.583%0.83176%0.756SS**  trans-92.1141.7-166.235.7-30.9000111.4
135V28.6Very low31.5Very low144 Ų144125.5 Ų125.587%0.87374%0.741SS**  trans-128.9114.9168.1-178.90000109.6
136G25.2Very low31.7Very low61 Ų61127.8 Ų127.863%0.62974%0.735SS**  7110412900000118.1V138G136-V138 PolarHBondContact O-N 3.27Å
137D27.8Very low32.2Very low159 Ų159123.6 Ų123.685%0.8572%0.724SS**  trans-43.7115.1162.4-167.613.3000112.4
138V30.2Very low32.9Very low122 Ų122125.5 Ų125.574%0.73973%0.731SS**  trans-112.3116.1166.8170.60000106.8G136 T140G136-V138 PolarHBondContact O-N 3.27Å; V138-T140 PolarHBondContact O-N 2.88Å; V138-T140 VanDerWaalsContact O-N 3.16Å
139T26.7Very low34.1Very low125 Ų125122.8 Ų122.877%0.76771%0.708SS**  trans-56.5115.9178.839.50000110.9G141T139-G141 PolarHBondContact O-N 2.98Å
140T28.2Very low35.9Very low134 Ų134121.4 Ų121.482%0.82270%0.695SS**  trans-70.592.5177.843.30000110V138 K142V138-T140 PolarHBondContact O-N 2.88Å; V138-T140 VanDerWaalsContact O-N 3.16Å; T140-K142 PolarHBondContact O-N 2.98Å
141G27.1Very low37.7Very low66 Ų66116.2 Ų116.268%0.6866%0.662SS**  trans-57.9119.616100000108.4T139 F143T139-G141 PolarHBondContact O-N 2.98Å; G141-F143 PolarHBondContact O-N 3.23Å
142K30.2Very low40Very low207 Ų207117.1 Ų117.190%0.965%0.651SS**  trans-5494.7178.9-76.1-179.1173.2-179.40110.5T140 E144T140-K142 PolarHBondContact O-N 2.98Å; K142-E144 PolarHBondContact O-N 3.46Å
143F33.4Very low41.9Very low111 Ų111113.3 Ų113.349%0.48762%0.624SS.*  trans-90.183.3171.5-167.9-98.2000107.3G141 E145G141-F143 PolarHBondContact O-N 3.23Å; F143-E145 HydrophobicContact CD1-CB 3.9Å; F143-E145 HydrophobicContact CE1-CB 3.41Å; F143-E145 VanDerWaalsContact CE1-CB 3.41Å; F143-E145 HydrophobicContact CE1-CG 4.43Å; F143-E145 HydrophobicContact CZ-CB 4.07Å; F143-E145 PolarHBondContact O-N 2.97Å; F143-E145 VanDerWaalsContact O-N 3.15Å
144E31.9Very low44.6Very low182 Ų182115.6 Ų115.685%0.8562%0.622SS**  trans-86.460.4174.4-156.6172.5179.600108.9K142 K146K142-E144 PolarHBondContact O-N 3.46Å; E144-K146 PolarHBondContact O-N 3.39Å; E144-K146 VanDerWaalsContact O-N 3.1Å
145E40Very low47Very low72 Ų72113.1 Ų113.134%0.33660%0.6SS.*  trans-70.6103.8158.8-169.8-171164.100105.9K94 F143 E147K94-E145 IonicContact NZ-OE1 3.58Å; K94-E145 PolarHBondContact NZ-OE1 3.45Å; F143-E145 HydrophobicContact CD1-CB 3.9Å; F143-E145 HydrophobicContact CE1-CB 3.41Å; F143-E145 VanDerWaalsContact CE1-CB 3.41Å; F143-E145 HydrophobicContact CE1-CG 4.43Å; F143-E145 HydrophobicContact CZ-CB 4.07Å; F143-E145 PolarHBondContact O-N 2.97Å; F143-E145 VanDerWaalsContact O-N 3.15Å; E145-E147 PolarHBondContact O-N 3.42Å
146K42.2Very low49.7Very low136 Ų136106.4 Ų106.459%0.59156%0.559SS**  trans-43.599.8-176.8-158.7173.7-177.3166.40111.6E144 D148E144-K146 PolarHBondContact O-N 3.39Å; E144-K146 VanDerWaalsContact O-N 3.1Å; K146-D148 WeakPolarHBondContact CE-OD2 3.46Å; K146-D148 HydrophobicContact CG-CB 4.02Å; K146-D148 WeakPolarHBondContact CG-OD2 3.27Å; K146-D148 PolarHBondContact O-N 3.47Å
147E47.8Very low52.5Low128 Ų128105.6 Ų105.660%0.59854%0.541SS*.G310 helixtrans-55.4-15.9179.4-71.1176.2175.300113F113 E145 R149 V150F113-E147 WeakPolarHBondContact CE2-OE1 3.16Å; E145-E147 PolarHBondContact O-N 3.42Å; E147-R149 PolarHBondContact O-N 2.9Å; E147-V150 PolarHBondContact O-N 2.9Å
148D48.7Very low55.3Low122 Ų122101.6 Ų101.665%0.65253%0.525SS*.G310 helixtrans-60.4-16-177.6-63.1-29.4000115.5K146K146-D148 WeakPolarHBondContact CE-OD2 3.46Å; K146-D148 HydrophobicContact CG-CB 4.02Å; K146-D148 WeakPolarHBondContact CG-OD2 3.27Å; K146-D148 PolarHBondContact O-N 3.47Å
149R58.6Low58Low118 Ų11896.1 Ų96.145%0.44549%0.491SS..G310 helixtrans-93.9-5-177.7-59.3-169-168.3175.88.9114.3E147E147-R149 PolarHBondContact O-N 2.9Å
150V65.6Low60.6Low66 Ų6693 Ų9340%0.449%0.485SS..SBendtrans-81.6123.1174.2-177.40000108.6E147 K152E147-V150 PolarHBondContact O-N 2.9Å; V150-K152 PolarHBondContact O-N 2.75Å; V150-K152 VanDerWaalsContact O-N 3.16Å
151P71.1Confident63.2Low10 Ų1088 Ų887%0.06545%0.452CS..PPolyproline II helixtrans-58.9120.4177-19.829.9000110.6Y54 L91 L156Y54-P151 HydrophobicContact CD1-CB 3.98Å; Y54-P151 HydrophobicContact CD1-CG 3.82Å; Y54-P151 HydrophobicContact CD2-CB 4.23Å; Y54-P151 HydrophobicContact CD2-CG 3.72Å; Y54-P151 HydrophobicContact CE1-CB 3.69Å; Y54-P151 HydrophobicContact CE1-CG 4.04Å; Y54-P151 HydrophobicContact CE2-CB 4Å; Y54-P151 HydrophobicContact CE2-CG 3.99Å; Y54-P151 HydrophobicContact CG-CB 4.25Å; Y54-P151 HydrophobicContact CG-CG 3.66Å; L91-P151 HydrophobicContact CD2-CB 4.33Å; L91-P151 HydrophobicContact CD2-CG 4.1Å; P151-L156 HydrophobicContact CB-CD1 4.37Å; P151-L156 HydrophobicContact CB-CD2 3.74Å; P151-L156 HydrophobicContact CB-CG 3.97Å
152K77.1Confident66Low133 Ų13385 Ų8558%0.57842%0.42SS*.PPolyproline II helixtrans-71.2149.5172.9-62.9-176.2179.9-177.80109.9V150 E154 Q155 L156V150-K152 PolarHBondContact O-N 2.75Å; V150-K152 VanDerWaalsContact O-N 3.16Å; K152-E154 PolarHBondContact O-N 2.73Å; K152-Q155 HydrophobicContact CB-CG 4.13Å; K152-Q155 WeakPolarHBondContact O-CA 3.32Å; K152-Q155 WeakPolarHBondContact O-CB 3.25Å; K152-Q155 PolarHBondContact O-N 2.71Å; K152-L156 PolarHBondContact O-N 3.3Å
153L82Confident68.4Low49 Ų4979.1 Ų79.126%0.25740%0.404SS..Hα-helixtrans-53.6-41.3179-175.962.9000112.4Q155 L156 N157 L169 K171 L174L153-Q155 VanDerWaalsContact C-N 3.31Å; L153-Q155 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 3.26Å; L153-N157 PolarHBondContact O-N 3.47Å; L153-L169 HydrophobicContact CD1-CB 3.67Å; L153-K171 HydrophobicContact CD2-CB 3.89Å; L153-L174 HydrophobicContact CD1-CD2 3.93Å
154E80.8Confident70.8Confident154 Ų15478 Ų7872%0.7241%0.41SS*.Hα-helixtrans-60.4-39.2175.4-64.9159-169.100112.5K152 L156 N157 S158K152-E154 PolarHBondContact O-N 2.73Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-N157 PolarHBondContact O-N 3.25Å; E154-S158 WeakPolarHBondContact O-CB 3.39Å; E154-S158 PolarHBondContact O-N 3.15Å; E154-S158 VanDerWaalsContact O-N 3.08Å; E154-S158 PolarHBondContact O-OG 2.87Å
155Q83.8Confident73.3Confident76 Ų7671.8 Ų71.836%0.35538%0.382SS..Hα-helixtrans-71.6-30.4177.6-64.5174.8-33.100112R53 Y54 K152 L153 S158R53-Q155 PolarHBondContact NH2-O 3.35Å; Y54-Q155 HydrophobicContact CE1-CB 4.41Å; Y54-Q155 PolarHBondContact OH-O 2.89Å; K152-Q155 HydrophobicContact CB-CG 4.13Å; K152-Q155 WeakPolarHBondContact O-CA 3.32Å; K152-Q155 WeakPolarHBondContact O-CB 3.25Å; K152-Q155 PolarHBondContact O-N 2.71Å; L153-Q155 VanDerWaalsContact C-N 3.31Å; L153-Q155 PolarHBondContact O-N 3.14Å; Q155-S158 VanDerWaalsContact CA-OG 3.31Å; Q155-S158 WeakPolarHBondContact CA-OG 3.27Å; Q155-S158 PolarHBondContact O-OG 3.23Å
156L84.5Confident75.4Confident3 Ų375.1 Ų75.12%0.01640%0.402CS..Hα-helixtrans-72.4-46.1173.7-66176.7000110.7Y54 L87 L91 P151 K152 L153 E154 S158 L159 M162 L169Y54-L156 HydrophobicContact CE2-CD2 4.32Å; L87-L156 HydrophobicContact CD2-CD2 4.25Å; L91-L156 HydrophobicContact CD1-CD1 4.05Å; L91-L156 HydrophobicContact CD2-CD1 4.45Å; P151-L156 HydrophobicContact CB-CD1 4.37Å; P151-L156 HydrophobicContact CB-CD2 3.74Å; P151-L156 HydrophobicContact CB-CG 3.97Å; K152-L156 PolarHBondContact O-N 3.3Å; L153-L156 PolarHBondContact O-N 3.26Å; E154-L156 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.2Å; L156-L159 HydrophobicContact CB-CD1 4.45Å; L156-L159 HydrophobicContact CD2-CD1 3.96Å; L156-L159 VanDerWaalsContact O-CB 3.27Å; L156-L159 WeakPolarHBondContact O-CB 3.26Å; L156-L159 VanDerWaalsContact O-CD1 3.3Å; L156-L159 WeakPolarHBondContact O-CD1 3.37Å; L156-L159 WeakPolarHBondContact O-CG 3.48Å; L156-L159 PolarHBondContact O-N 2.67Å; L156-L159 VanDerWaalsContact O-N 3.08Å; L156-M162 WeakPolarHBondContact O-CG 3.36Å; L156-L169 HydrophobicContact CB-CD1 3.94Å; L156-L169 HydrophobicContact CD1-CD1 4.41Å
157N85.8Confident77.5Confident45 Ų4569.6 Ų69.624%0.24138%0.379CS..Hα-helixtrans-66.2-21.6178.7-78.2-25000113.6L153 E154 L159 L169L153-N157 PolarHBondContact O-N 3.47Å; E154-N157 PolarHBondContact O-N 3.25Å; N157-L159 VanDerWaalsContact C-N 3.32Å; N157-L169 PolarHBondContact ND2-O 2.77Å; N157-L169 WeakPolarHBondContact OD1-CA 3.45Å; N157-L169 VanDerWaalsContact OD1-CB 3.26Å; N157-L169 WeakPolarHBondContact OD1-CB 3.43Å; N157-L169 PolarHBondContact OD1-N 3.1Å
158S86Confident79.3Confident74 Ų7468.5 Ų68.552%0.51738%0.381SS..THydrogen-bonded Turntrans-85.63.9174.453.10000114.3E154 Q155 L156E154-S158 WeakPolarHBondContact O-CB 3.39Å; E154-S158 PolarHBondContact O-N 3.15Å; E154-S158 VanDerWaalsContact O-N 3.08Å; E154-S158 PolarHBondContact O-OG 2.87Å; Q155-S158 VanDerWaalsContact CA-OG 3.31Å; Q155-S158 WeakPolarHBondContact CA-OG 3.27Å; Q155-S158 PolarHBondContact O-OG 3.23Å; L156-S158 PolarHBondContact O-N 3.2Å
159L86.3Confident80.9Confident7 Ų762.9 Ų62.94%0.03735%0.351CS..SBendtrans-66.9134.6174.6-68165.1000110.4L50 R53 L156 N157 F161 M162 C163L50-L159 HydrophobicContact CD2-CD1 3.62Å; L50-L159 HydrophobicContact CD2-CD2 3.6Å; L50-L159 HydrophobicContact CD2-CG 4.29Å; R53-L159 VanDerWaalsContact CZ-CD2 3.49Å; R53-L159 VanDerWaalsContact NH1-CD2 3.33Å; L156-L159 HydrophobicContact CB-CD1 4.45Å; L156-L159 HydrophobicContact CD2-CD1 3.96Å; L156-L159 VanDerWaalsContact O-CB 3.27Å; L156-L159 WeakPolarHBondContact O-CB 3.26Å; L156-L159 VanDerWaalsContact O-CD1 3.3Å; L156-L159 WeakPolarHBondContact O-CD1 3.37Å; L156-L159 WeakPolarHBondContact O-CG 3.48Å; L156-L159 PolarHBondContact O-N 2.67Å; L156-L159 VanDerWaalsContact O-N 3.08Å; N157-L159 VanDerWaalsContact C-N 3.32Å; L159-F161 HydrophobicContact CB-CD1 3.92Å; L159-F161 HydrophobicContact CB-CE1 3.55Å; L159-F161 HydrophobicContact CB-CZ 4.08Å; L159-F161 HydrophobicContact CD1-CE1 3.62Å; L159-F161 HydrophobicContact CD1-CZ 3.71Å; L159-F161 HydrophobicContact CD2-CE1 4.39Å; L159-F161 HydrophobicContact CG-CE1 4.04Å; L159-F161 HydrophobicContact CG-CZ 4.48Å; L159-F161 PolarHBondContact O-N 3.46Å; L159-F161 VanDerWaalsContact O-N 3.11Å; L159-M162 HydrophobicContact CB-CG 3.92Å; L159-M162 VanDerWaalsContact O-CB 3.27Å; L159-M162 WeakPolarHBondContact O-CB 3.48Å; L159-M162 PolarHBondContact O-N 3.06Å; L159-C163 PolarHBondContact O-N 3.24Å
160G81.8Confident82.2Confident61 Ų6161.7 Ų61.763%0.62935%0.353SS*.Hα-helixtrans-56.9-33.5-173.700000114.6M162 C163 S164G160-M162 VanDerWaalsContact C-N 3.34Å; G160-C163 PolarHBondContact O-N 2.84Å; G160-S164 PolarHBondContact O-N 2.88Å; G160-S164 VanDerWaalsContact O-N 3.1Å
161F82.5Confident83Confident29 Ų2963.1 Ų63.113%0.12735%0.354CS..Hα-helixtrans-72.3-25.7176.471.7-94.9000113.3L46 L50 Y83 L87 L159 S164 L165L46-F161 HydrophobicContact CD1-CD1 3.88Å; L46-F161 HydrophobicContact CD1-CE1 3.59Å; L46-F161 HydrophobicContact CD1-CZ 4.11Å; L46-F161 HydrophobicContact CD2-CE2 4.42Å; L46-F161 HydrophobicContact CD2-CZ 4.27Å; L50-F161 HydrophobicContact CD2-CE1 4.43Å; Y83-F161 AromaticContact CD1-CD2 3.68Å; Y83-F161 HydrophobicContact CD1-CD2 3.68Å; Y83-F161 AromaticContact CD1-CE2 3.64Å; Y83-F161 HydrophobicContact CD1-CE2 3.64Å; Y83-F161 AromaticContact CE1-CD2 3.86Å; Y83-F161 HydrophobicContact CE1-CD2 3.86Å; Y83-F161 HydrophobicContact CE1-CE2 4.25Å; L87-F161 HydrophobicContact CD1-CZ 4.31Å; L87-F161 HydrophobicContact CD2-CZ 4.43Å; L159-F161 HydrophobicContact CB-CD1 3.92Å; L159-F161 HydrophobicContact CB-CE1 3.55Å; L159-F161 HydrophobicContact CB-CZ 4.08Å; L159-F161 HydrophobicContact CD1-CE1 3.62Å; L159-F161 HydrophobicContact CD1-CZ 3.71Å; L159-F161 HydrophobicContact CD2-CE1 4.39Å; L159-F161 HydrophobicContact CG-CE1 4.04Å; L159-F161 HydrophobicContact CG-CZ 4.48Å; L159-F161 PolarHBondContact O-N 3.46Å; L159-F161 VanDerWaalsContact O-N 3.11Å; F161-S164 WeakPolarHBondContact CA-OG 3.46Å; F161-S164 PolarHBondContact O-N 3.28Å; F161-S164 PolarHBondContact O-OG 3.02Å; F161-S164 VanDerWaalsContact O-OG 3.11Å; F161-L165 HydrophobicContact CD2-CD1 4.24Å; F161-L165 VanDerWaalsContact O-CB 3.3Å; F161-L165 WeakPolarHBondContact O-CB 3.34Å; F161-L165 WeakPolarHBondContact O-CD1 3.44Å; F161-L165 WeakPolarHBondContact O-CG 3.36Å; F161-L165 PolarHBondContact O-N 3.39Å
162M85.4Confident83.7Confident2 Ų272.1 Ų72.11%0.0139%0.387CS..Hα-helixtrans-65.8-44.8175.1-66.4-66.3-69.100109.7L87 L156 L159 G160 N166 L167 L169L87-M162 HydrophobicContact CD1-SD 4.21Å; L156-M162 WeakPolarHBondContact O-CG 3.36Å; L159-M162 HydrophobicContact CB-CG 3.92Å; L159-M162 VanDerWaalsContact O-CB 3.27Å; L159-M162 WeakPolarHBondContact O-CB 3.48Å; L159-M162 PolarHBondContact O-N 3.06Å; G160-M162 VanDerWaalsContact C-N 3.34Å; M162-N166 PolarHBondContact O-N 3.29Å; M162-N166 VanDerWaalsContact O-N 3.17Å; M162-L167 HydrophobicContact CE-CB 3.58Å; M162-L167 WeakPolarHBondContact CE-O 3.47Å; M162-L167 PolarHBondContact O-N 3.15Å; M162-L167 HydrophobicContact SD-CB 3.81Å; M162-L167 HydrophobicContact SD-CD1 4.16Å; M162-L169 HydrophobicContact CE-CB 4.47Å; M162-L169 HydrophobicContact CE-CD1 3.71Å; M162-L169 HydrophobicContact CE-CD2 4.39Å; M162-L169 HydrophobicContact CE-CG 3.51Å
163C80.4Confident84Confident84 Ų8469.3 Ų69.357%0.56838%0.378SS*.Hα-helixtrans-62.3-47.6174.4-60.30000112L159 G160 L165 N166L159-C163 PolarHBondContact O-N 3.24Å; G160-C163 PolarHBondContact O-N 2.84Å; C163-L165 VanDerWaalsContact C-N 3.27Å; C163-L165 PolarHBondContact O-N 3.25Å; C163-N166 PolarHBondContact O-N 3.01Å
164S84.8Confident84.1Confident88 Ų8867.4 Ų67.462%0.61537%0.368SS*.Hα-helixtrans-65.7-30.3-176.967.70000113.3G160 F161G160-S164 PolarHBondContact O-N 2.88Å; G160-S164 VanDerWaalsContact O-N 3.1Å; F161-S164 WeakPolarHBondContact CA-OG 3.46Å; F161-S164 PolarHBondContact O-N 3.28Å; F161-S164 PolarHBondContact O-OG 3.02Å; F161-S164 VanDerWaalsContact O-OG 3.11Å
165L84.5Confident84.3Confident51 Ų5161 Ų6127%0.26734%0.338SS..THydrogen-bonded Turntrans-91.9-0.5179.5-63170000113.4Y83 F161 C163 L167Y83-L165 HydrophobicContact CD1-CD1 4.04Å; Y83-L165 HydrophobicContact CD2-CD1 3.87Å; Y83-L165 HydrophobicContact CE1-CD1 3.58Å; Y83-L165 HydrophobicContact CE2-CD1 3.41Å; Y83-L165 VanDerWaalsContact CE2-CD1 3.41Å; Y83-L165 HydrophobicContact CG-CD1 4.17Å; F161-L165 HydrophobicContact CD2-CD1 4.24Å; F161-L165 VanDerWaalsContact O-CB 3.3Å; F161-L165 WeakPolarHBondContact O-CB 3.34Å; F161-L165 WeakPolarHBondContact O-CD1 3.44Å; F161-L165 WeakPolarHBondContact O-CG 3.36Å; F161-L165 PolarHBondContact O-N 3.39Å; C163-L165 VanDerWaalsContact C-N 3.27Å; C163-L165 PolarHBondContact O-N 3.25Å; L165-L167 HydrophobicContact CB-CD1 3.69Å; L165-L167 HydrophobicContact CB-CG 3.7Å; L165-L167 HydrophobicContact CD1-CD1 3.74Å; L165-L167 HydrophobicContact CG-CD1 4.39Å; L165-L167 PolarHBondContact O-N 3.46Å
166N84.3Confident84.5Confident141 Ų14163.5 Ų63.575%0.75435%0.348SS*.THydrogen-bonded Turntrans5045.3-169.7-63.7-69.1000111.8M162 C163M162-N166 PolarHBondContact O-N 3.29Å; M162-N166 VanDerWaalsContact O-N 3.17Å; C163-N166 PolarHBondContact O-N 3.01Å
167L85.3Confident84.8Confident20 Ų2063.9 Ų63.911%0.10535%0.35CS..  trans-97134.5175.7-67.8171.6000109.5K80 Y83 M162 L165K80-L167 HydrophobicContact CB-CD2 3.99Å; K80-L167 HydrophobicContact CD-CD2 4.35Å; K80-L167 HydrophobicContact CG-CD2 4.21Å; Y83-L167 HydrophobicContact CD2-CD1 3.98Å; Y83-L167 HydrophobicContact CG-CD1 3.87Å; M162-L167 HydrophobicContact CE-CB 3.58Å; M162-L167 WeakPolarHBondContact CE-O 3.47Å; M162-L167 PolarHBondContact O-N 3.15Å; M162-L167 HydrophobicContact SD-CB 3.81Å; M162-L167 HydrophobicContact SD-CD1 4.16Å; L165-L167 HydrophobicContact CB-CD1 3.69Å; L165-L167 HydrophobicContact CB-CG 3.7Å; L165-L167 HydrophobicContact CD1-CD1 3.74Å; L165-L167 HydrophobicContact CG-CD1 4.39Å; L165-L167 PolarHBondContact O-N 3.46Å
168V85.4Confident85Confident105 Ų10561.9 Ų61.964%0.63634%0.339SS*.  trans-128.6124.2172.1179.40000107.3
169L83.5Confident85.1Confident4 Ų459.3 Ų59.32%0.02132%0.319CS..  trans-87.4110.9172.5-64.4160000108.7I84 L87 L153 L156 N157 M162 L174I84-L169 HydrophobicContact CB-CD2 4.15Å; I84-L169 HydrophobicContact CD1-CD2 4.34Å; I84-L169 HydrophobicContact CG1-CD2 3.81Å; I84-L169 HydrophobicContact CG2-CD2 3.75Å; L87-L169 HydrophobicContact CD1-CD1 3.59Å; L153-L169 HydrophobicContact CD1-CB 3.67Å; L156-L169 HydrophobicContact CB-CD1 3.94Å; L156-L169 HydrophobicContact CD1-CD1 4.41Å; N157-L169 PolarHBondContact ND2-O 2.77Å; N157-L169 WeakPolarHBondContact OD1-CA 3.45Å; N157-L169 VanDerWaalsContact OD1-CB 3.26Å; N157-L169 WeakPolarHBondContact OD1-CB 3.43Å; N157-L169 PolarHBondContact OD1-N 3.1Å; M162-L169 HydrophobicContact CE-CB 4.47Å; M162-L169 HydrophobicContact CE-CD1 3.71Å; M162-L169 HydrophobicContact CE-CD2 4.39Å; M162-L169 HydrophobicContact CE-CG 3.51Å; L169-L174 HydrophobicContact CD2-CD1 4.45Å
170D85.3Confident85.4Confident94 Ų9462.3 Ų62.350%0.50334%0.335SS..  trans-81.4140.3165.6-78.7-40.6000110.4R172 D173 L174D170-R172 PolarHBondContact O-N 3.46Å; D170-R172 VanDerWaalsContact O-N 3.14Å; D170-D173 HydrophobicContact CB-CB 4.42Å; D170-D173 PolarHBondContact O-N 2.89Å; D170-L174 WeakPolarHBondContact O-CB 3.12Å; D170-L174 PolarHBondContact O-N 3.47Å
171K83.3Confident86Confident95 Ų9559.4 Ų59.441%0.41331%0.305SS..Hα-helixtrans-51.3-41.6177.3-172.9-177.7174.6-172.30111.4H114 D117 L153 I175H114-K171 WeakPolarHBondContact CE1-CE 3.12Å; D117-K171 VanDerWaalsContact OD2-CE 3.32Å; D117-K171 WeakPolarHBondContact OD2-CE 3.45Å; D117-K171 IonicContact OD2-NZ 3.4Å; D117-K171 PolarHBondContact OD2-NZ 3.28Å; L153-K171 HydrophobicContact CD2-CB 3.89Å; K171-I175 HydrophobicContact CG-CD1 4Å; K171-I175 WeakPolarHBondContact O-CB 3.44Å; K171-I175 VanDerWaalsContact O-CG1 3.27Å; K171-I175 WeakPolarHBondContact O-CG1 3.42Å; K171-I175 PolarHBondContact O-N 3.37Å
172R84.3Confident86.3Confident200 Ų20058.8 Ų58.876%0.75530%0.303SS*.Hα-helixtrans-65.3-43.6-179.6-77.5-173-90-163.5-6112.4D170 I175 K176D170-R172 PolarHBondContact O-N 3.46Å; D170-R172 VanDerWaalsContact O-N 3.14Å; R172-I175 PolarHBondContact O-N 2.84Å; R172-K176 WeakPolarHBondContact O-CG 3.24Å; R172-K176 PolarHBondContact O-N 3.41Å
173D83.3Confident86.6Confident73 Ų7364.4 Ų64.439%0.3933%0.329SS..Hα-helixtrans-77.5-33-176.7-68.2-19.8000111.9D170 K176 M177D170-D173 HydrophobicContact CB-CB 4.42Å; D170-D173 PolarHBondContact O-N 2.89Å; D173-K176 PolarHBondContact O-N 2.92Å; D173-K176 IonicContact OD1-NZ 2.73Å; D173-K176 PolarHBondContact OD1-NZ 3.17Å; D173-M177 WeakPolarHBondContact O-CB 3.48Å; D173-M177 PolarHBondContact O-N 3.2Å
174L85.7Confident87.2Confident10 Ų1062.2 Ų62.25%0.05231%0.314CS..Hα-helixtrans-61.5-45.3170-173.465000111.4S88 L91 L153 L169 D170 K176 M177 E178S88-L174 WeakPolarHBondContact OG-CD1 3.39Å; L91-L174 HydrophobicContact CD1-CD1 4.07Å; L91-L174 HydrophobicContact CD1-CD2 3.81Å; L91-L174 HydrophobicContact CD1-CG 4.32Å; L153-L174 HydrophobicContact CD1-CD2 3.93Å; L169-L174 HydrophobicContact CD2-CD1 4.45Å; D170-L174 WeakPolarHBondContact O-CB 3.12Å; D170-L174 PolarHBondContact O-N 3.47Å; L174-K176 PolarHBondContact O-N 3.36Å; L174-M177 PolarHBondContact O-N 2.89Å; L174-E178 WeakPolarHBondContact O-CG 3.3Å; L174-E178 PolarHBondContact O-N 3.35Å
175I84.4Confident87.4Confident19 Ų1959.2 Ų59.210%0.09729%0.289CS..Hα-helixtrans-61-45175.9-77.2169.6000111.5D117 I118 K171 R172 M177 E178 L179D117-I175 HydrophobicContact CB-CD1 4.27Å; I118-I175 HydrophobicContact CD1-CG2 4.44Å; I118-I175 HydrophobicContact CG1-CG2 3.73Å; K171-I175 HydrophobicContact CG-CD1 4Å; K171-I175 WeakPolarHBondContact O-CB 3.44Å; K171-I175 VanDerWaalsContact O-CG1 3.27Å; K171-I175 WeakPolarHBondContact O-CG1 3.42Å; K171-I175 PolarHBondContact O-N 3.37Å; R172-I175 PolarHBondContact O-N 2.84Å; I175-M177 VanDerWaalsContact C-N 3.26Å; I175-M177 PolarHBondContact O-N 2.89Å; I175-E178 PolarHBondContact O-N 2.97Å; I175-L179 HydrophobicContact CG2-CD1 4.18Å; I175-L179 WeakPolarHBondContact O-CB 3.3Å; I175-L179 PolarHBondContact O-N 3.08Å
176K87.4Confident87.5Confident128 Ų12859.5 Ų59.556%0.55731%0.305SS*.Hα-helixtrans-60-38.9175.7-71.7173.1-162.6157.70111.6R172 D173 L174 L179 L180R172-K176 WeakPolarHBondContact O-CG 3.24Å; R172-K176 PolarHBondContact O-N 3.41Å; D173-K176 PolarHBondContact O-N 2.92Å; D173-K176 IonicContact OD1-NZ 2.73Å; D173-K176 PolarHBondContact OD1-NZ 3.17Å; L174-K176 PolarHBondContact O-N 3.36Å; K176-L179 PolarHBondContact O-N 2.83Å; K176-L180 WeakPolarHBondContact O-CB 3.18Å; K176-L180 PolarHBondContact O-N 3.3Å
177M91.2Very high87.6Confident11 Ų1159.5 Ų59.55%0.05429%0.294CS..Hα-helixtrans-68.5-44.4178.2-173.156.268.300112Q81 I84 I85 S88 D173 L174 I175 L179 L180 L181Q81-M177 HydrophobicContact CG-CE 4.06Å; I84-M177 HydrophobicContact CG2-CB 4.22Å; I84-M177 HydrophobicContact CG2-CE 4.44Å; I84-M177 HydrophobicContact CG2-CG 4.16Å; I85-M177 HydrophobicContact CB-SD 4.46Å; I85-M177 HydrophobicContact CD1-CE 4.33Å; I85-M177 HydrophobicContact CD1-SD 4.41Å; I85-M177 HydrophobicContact CG1-CE 3.67Å; I85-M177 HydrophobicContact CG1-CG 4.22Å; I85-M177 HydrophobicContact CG1-SD 3.41Å; I85-M177 WeakPolarHBondContact CG1-SD 3.31Å; S88-M177 WeakPolarHBondContact OG-CG 3.48Å; D173-M177 WeakPolarHBondContact O-CB 3.48Å; D173-M177 PolarHBondContact O-N 3.2Å; L174-M177 PolarHBondContact O-N 2.89Å; I175-M177 VanDerWaalsContact C-N 3.26Å; I175-M177 PolarHBondContact O-N 2.89Å; M177-L179 VanDerWaalsContact C-N 3.28Å; M177-L179 PolarHBondContact O-N 3.24Å; M177-L180 PolarHBondContact O-N 3.02Å; M177-L180 HydrophobicContact SD-CD2 4.11Å; M177-L181 HydrophobicContact CG-CD1 4.31Å; M177-L181 WeakPolarHBondContact O-CG 3.27Å; M177-L181 PolarHBondContact O-N 2.9Å
178E89.6Confident87.5Confident3 Ų362.5 Ų62.51%0.01431%0.311CS..Hα-helixtrans-58.7-42.5174.2-72.5-169.6147.300111.5L91 L92 K95 I118 L174 I175 L181 L182L91-E178 WeakPolarHBondContact CB-OE1 3.25Å; L92-E178 HydrophobicContact CD2-CB 4.16Å; L92-E178 HydrophobicContact CD2-CG 4.22Å; L92-E178 HydrophobicContact CG-CB 4.45Å; L92-E178 HydrophobicContact CG-CG 4.21Å; K95-E178 IonicContact NZ-OE1 3.57Å; K95-E178 PolarHBondContact NZ-OE1 3.5Å; K95-E178 IonicContact NZ-OE2 2.74Å; K95-E178 PolarHBondContact NZ-OE2 2.91Å; I118-E178 HydrophobicContact CD1-CB 4.42Å; L174-E178 WeakPolarHBondContact O-CG 3.3Å; L174-E178 PolarHBondContact O-N 3.35Å; I175-E178 PolarHBondContact O-N 2.97Å; E178-L181 PolarHBondContact O-N 3.08Å; E178-L182 WeakPolarHBondContact O-CB 3.45Å; E178-L182 VanDerWaalsContact O-CG 3.28Å; E178-L182 WeakPolarHBondContact O-CG 3.37Å; E178-L182 PolarHBondContact O-N 3.42Å
179L88.4Confident87.5Confident20 Ų2058 Ų5811%0.10528%0.283CS..Hα-helixtrans-61.3-48.6174.8-89.1172.3000112.7I118 V121 I175 K176 M177 L181 L182 E183 W187I118-L179 HydrophobicContact CG1-CG 4.36Å; I118-L179 HydrophobicContact CG2-CD1 4.15Å; I118-L179 HydrophobicContact CG2-CD2 3.3Å; I118-L179 HydrophobicContact CG2-CG 3.7Å; V121-L179 HydrophobicContact CG1-CD1 4.29Å; I175-L179 HydrophobicContact CG2-CD1 4.18Å; I175-L179 WeakPolarHBondContact O-CB 3.3Å; I175-L179 PolarHBondContact O-N 3.08Å; K176-L179 PolarHBondContact O-N 2.83Å; M177-L179 VanDerWaalsContact C-N 3.28Å; M177-L179 PolarHBondContact O-N 3.24Å; L179-L181 VanDerWaalsContact C-N 3.28Å; L179-L181 PolarHBondContact O-N 3.18Å; L179-L182 PolarHBondContact O-N 3.12Å; L179-E183 WeakPolarHBondContact O-CG 3.36Å; L179-E183 PolarHBondContact O-N 2.89Å; L179-W187 HydrophobicContact CD2-CH2 4.12Å; L179-W187 HydrophobicContact CD2-CZ2 4.36Å
180L92.8Very high87.6Confident71 Ų7160.7 Ų60.737%0.37230%0.301SS..Hα-helixtrans-57.3-44177.117763.5000111.1F71 K176 M177 E183 T184F71-L180 HydrophobicContact CE2-CD2 4.42Å; F71-L180 HydrophobicContact CE2-CG 4.4Å; F71-L180 HydrophobicContact CZ-CD2 4.13Å; K176-L180 WeakPolarHBondContact O-CB 3.18Å; K176-L180 PolarHBondContact O-N 3.3Å; M177-L180 PolarHBondContact O-N 3.02Å; M177-L180 HydrophobicContact SD-CD2 4.11Å; L180-E183 PolarHBondContact O-N 3.31Å; L180-T184 VanDerWaalsContact O-CB 3.29Å; L180-T184 WeakPolarHBondContact O-CB 3.44Å; L180-T184 PolarHBondContact O-N 3.19Å; L180-T184 PolarHBondContact O-OG1 3.23Å
181L93.6Very high87.6Confident0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-63.4-45.7176.8-72.1167.6000111.5F71 I85 S88 L92 M177 E178 L179 E183 T184 F185F71-L181 HydrophobicContact CB-CD2 4.3Å; F71-L181 HydrophobicContact CD2-CD2 3.39Å; F71-L181 HydrophobicContact CE2-CD2 3.83Å; F71-L181 HydrophobicContact CG-CD2 3.9Å; I85-L181 HydrophobicContact CG2-CD2 4.22Å; S88-L181 VanDerWaalsContact CB-CD1 3.48Å; L92-L181 HydrophobicContact CD1-CB 3.63Å; L92-L181 HydrophobicContact CD1-CD1 3.88Å; L92-L181 HydrophobicContact CD1-CG 4.42Å; M177-L181 HydrophobicContact CG-CD1 4.31Å; M177-L181 WeakPolarHBondContact O-CG 3.27Å; M177-L181 PolarHBondContact O-N 2.9Å; E178-L181 PolarHBondContact O-N 3.08Å; L179-L181 VanDerWaalsContact C-N 3.28Å; L179-L181 PolarHBondContact O-N 3.18Å; L181-E183 PolarHBondContact O-N 3.25Å; L181-T184 WeakPolarHBondContact O-CB 3.13Å; L181-T184 PolarHBondContact O-N 2.97Å; L181-F185 HydrophobicContact CB-CE2 4.41Å; L181-F185 HydrophobicContact CD2-CE2 3.96Å; L181-F185 WeakPolarHBondContact O-CD2 3.36Å; L181-F185 PolarHBondContact O-N 3.3Å
182L89.7Confident87.9Confident15 Ų1552.1 Ų52.18%0.07926%0.26CS..Hα-helixtrans-59.9-45.3177.2-74.5166.4000111.8L92 E178 L179 F185 G186 W187 L189L92-L182 HydrophobicContact CD1-CG 4.42Å; L92-L182 HydrophobicContact CD2-CD1 4.2Å; L92-L182 HydrophobicContact CD2-CD2 4.29Å; L92-L182 HydrophobicContact CD2-CG 4.15Å; E178-L182 WeakPolarHBondContact O-CB 3.45Å; E178-L182 VanDerWaalsContact O-CG 3.28Å; E178-L182 WeakPolarHBondContact O-CG 3.37Å; E178-L182 PolarHBondContact O-N 3.42Å; L179-L182 PolarHBondContact O-N 3.12Å; L182-F185 CarbonylContact O-C 3.56Å; L182-F185 PolarHBondContact O-N 2.91Å; L182-G186 PolarHBondContact O-N 3.46Å; L182-G186 VanDerWaalsContact O-N 3.16Å; L182-W187 HydrophobicContact CB-CD2 4.18Å; L182-W187 HydrophobicContact CB-CE3 4.2Å; L182-W187 HydrophobicContact CB-CH2 4.5Å; L182-W187 HydrophobicContact CB-CZ2 4.47Å; L182-W187 HydrophobicContact CB-CZ3 4.37Å; L182-W187 HydrophobicContact CD1-CE3 4.22Å; L182-W187 HydrophobicContact CD1-CH2 4.21Å; L182-W187 HydrophobicContact CD1-CZ3 3.81Å; L182-W187 HydrophobicContact CD2-CE3 4.21Å; L182-W187 HydrophobicContact CG-CE3 4.45Å; L182-W187 HydrophobicContact CG-CZ3 4.5Å; L182-W187 PolarHBondContact O-N 3.12Å; L182-L189 HydrophobicContact CD2-CD1 3.65Å; L182-L189 HydrophobicContact CD2-CD2 4.43Å; L182-L189 HydrophobicContact CD2-CG 4.01Å
183E90.9Very high88.4Confident120 Ų12042.8 Ų42.856%0.56123%0.225SC*.Hα-helixtrans-62.9-44175.8-72.2-180170.400111.6L179 L180 L181 F185 G186L179-E183 WeakPolarHBondContact O-CG 3.36Å; L179-E183 PolarHBondContact O-N 2.89Å; L180-E183 PolarHBondContact O-N 3.31Å; L181-E183 PolarHBondContact O-N 3.25Å; E183-F185 VanDerWaalsContact C-N 3.26Å; E183-F185 PolarHBondContact O-N 3Å; E183-G186 PolarHBondContact O-N 3.23Å
184T93.1Very high89.1Confident39 Ų3940.3 Ų40.324%0.23921%0.213CC..Hα-helixtrans-56.3-41.3177.2-60.40000111.5F71 Y75 L180 L181 G186F71-T184 HydrophobicContact CD2-CG2 4.13Å; F71-T184 HydrophobicContact CE2-CG2 4.44Å; Y75-T184 HydrophobicContact CE2-CG2 3.73Å; L180-T184 VanDerWaalsContact O-CB 3.29Å; L180-T184 WeakPolarHBondContact O-CB 3.44Å; L180-T184 PolarHBondContact O-N 3.19Å; L180-T184 PolarHBondContact O-OG1 3.23Å; L181-T184 WeakPolarHBondContact O-CB 3.13Å; L181-T184 PolarHBondContact O-N 2.97Å; T184-G186 VanDerWaalsContact C-N 3.33Å
185F90.1Very high89.4Confident24 Ų2440 Ų4011%0.10521%0.212CC..THydrogen-bonded Turntrans-91.811.3-180-60.1-57.6000113.9L67 L70 F71 L181 L182 E183 W187 N188 L189 M191L67-F185 HydrophobicContact CB-CE2 4.07Å; L67-F185 HydrophobicContact CB-CZ 4.25Å; L67-F185 HydrophobicContact CD2-CD1 4.46Å; L67-F185 HydrophobicContact CD2-CD2 3.73Å; L67-F185 HydrophobicContact CD2-CE1 4.39Å; L67-F185 HydrophobicContact CD2-CE2 3.66Å; L67-F185 HydrophobicContact CD2-CG 4.17Å; L67-F185 HydrophobicContact CD2-CZ 4.01Å; L67-F185 HydrophobicContact CG-CE2 4.38Å; L67-F185 WeakPolarHBondContact O-CZ 3.13Å; L70-F185 HydrophobicContact CB-CE1 3.71Å; L70-F185 HydrophobicContact CB-CZ 4.15Å; L70-F185 HydrophobicContact CD1-CE1 3.99Å; F71-F185 HydrophobicContact CB-CZ 4.37Å; L181-F185 HydrophobicContact CB-CE2 4.41Å; L181-F185 HydrophobicContact CD2-CE2 3.96Å; L181-F185 WeakPolarHBondContact O-CD2 3.36Å; L181-F185 PolarHBondContact O-N 3.3Å; L182-F185 CarbonylContact O-C 3.56Å; L182-F185 PolarHBondContact O-N 2.91Å; E183-F185 VanDerWaalsContact C-N 3.26Å; E183-F185 PolarHBondContact O-N 3Å; F185-W187 PolarHBondContact O-N 3.46Å; F185-N188 WeakPolarHBondContact O-CB 3.36Å; F185-N188 PolarHBondContact O-N 2.76Å; F185-L189 HydrophobicContact CB-CD2 4.38Å; F185-L189 HydrophobicContact CD2-CD2 4.19Å; F185-M191 HydrophobicContact CB-CE 4.03Å; F185-M191 HydrophobicContact CD1-CE 3.71Å; F185-M191 HydrophobicContact CE1-CE 4.37Å; F185-M191 HydrophobicContact CG-CE 3.84Å
186G86.6Confident89.6Confident57 Ų5741.1 Ų41.159%0.58822%0.217SC*.THydrogen-bonded Turntrans5734.8-179.300000112.8L182 E183 T184 N188L182-G186 PolarHBondContact O-N 3.46Å; L182-G186 VanDerWaalsContact O-N 3.16Å; E183-G186 PolarHBondContact O-N 3.23Å; T184-G186 VanDerWaalsContact C-N 3.33Å; G186-N188 PolarHBondContact O-N 3.45Å; G186-N188 VanDerWaalsContact O-N 3.09Å
187W86.4Confident89.8Confident142 Ų14235 Ų3554%0.53819%0.19SC..THydrogen-bonded Turntrans60.512.5-175.8-59.376.2000114.6L179 L182 F185 L189L179-W187 HydrophobicContact CD2-CH2 4.12Å; L179-W187 HydrophobicContact CD2-CZ2 4.36Å; L182-W187 HydrophobicContact CB-CD2 4.18Å; L182-W187 HydrophobicContact CB-CE3 4.2Å; L182-W187 HydrophobicContact CB-CH2 4.5Å; L182-W187 HydrophobicContact CB-CZ2 4.47Å; L182-W187 HydrophobicContact CB-CZ3 4.37Å; L182-W187 HydrophobicContact CD1-CE3 4.22Å; L182-W187 HydrophobicContact CD1-CH2 4.21Å; L182-W187 HydrophobicContact CD1-CZ3 3.81Å; L182-W187 HydrophobicContact CD2-CE3 4.21Å; L182-W187 HydrophobicContact CG-CE3 4.45Å; L182-W187 HydrophobicContact CG-CZ3 4.5Å; L182-W187 PolarHBondContact O-N 3.12Å; F185-W187 PolarHBondContact O-N 3.46Å; W187-L189 PolarHBondContact O-N 3.17Å
188N82.9Confident89.9Confident83 Ų8334.6 Ų34.644%0.44419%0.188SC..  trans-97.688.9178.8-179.123.4000111.4F185 G186 C190 M191F185-N188 WeakPolarHBondContact O-CB 3.36Å; F185-N188 PolarHBondContact O-N 2.76Å; G186-N188 PolarHBondContact O-N 3.45Å; G186-N188 VanDerWaalsContact O-N 3.09Å; N188-C190 PolarHBondContact OD1-N 2.73Å; N188-M191 WeakPolarHBondContact O-CE 3.29Å
189L85.9Confident89.9Confident11 Ų1136.4 Ų36.46%0.05820%0.198CC..  trans-921.4171.5-58.2-176000113.2L67 L92 Q96 L182 F185 W187 M191L67-L189 HydrophobicContact CD1-CD2 4.05Å; L67-L189 HydrophobicContact CD2-CD2 3.88Å; L92-L189 HydrophobicContact CB-CD1 4.07Å; L92-L189 HydrophobicContact CD2-CD1 4.32Å; Q96-L189 HydrophobicContact CB-CB 4.38Å; Q96-L189 HydrophobicContact CG-CB 4.05Å; L182-L189 HydrophobicContact CD2-CD1 3.65Å; L182-L189 HydrophobicContact CD2-CD2 4.43Å; L182-L189 HydrophobicContact CD2-CG 4.01Å; F185-L189 HydrophobicContact CB-CD2 4.38Å; F185-L189 HydrophobicContact CD2-CD2 4.19Å; W187-L189 PolarHBondContact O-N 3.17Å; L189-M191 PolarHBondContact O-N 2.83Å
190C84.7Confident90Very high60 Ų6036.7 Ų36.741%0.40520%0.198SC..  trans-80.445.2-179-65.10000112Q96 N188Q96-C190 PolarHBondContact NE2-SG 2.74Å; N188-C190 PolarHBondContact OD1-N 2.73Å
191M86.3Confident90.1Very high5 Ų533.3 Ų33.33%0.02518%0.18CC..  trans-88.9116.9-175.8-67-166.3-112.500109.9L27 P28 L63 Y66 L67 L70 F185 N188 L189L27-M191 HydrophobicContact CD2-CB 3.72Å; L27-M191 HydrophobicContact CD2-CG 3.91Å; L27-M191 HydrophobicContact CD2-SD 4.19Å; P28-M191 HydrophobicContact CG-SD 4.25Å; L63-M191 HydrophobicContact CD1-CB 4.14Å; Y66-M191 HydrophobicContact CD1-CB 4.19Å; Y66-M191 HydrophobicContact CD1-SD 4.21Å; Y66-M191 HydrophobicContact CE1-CB 3.94Å; Y66-M191 HydrophobicContact CE1-CG 4.38Å; Y66-M191 HydrophobicContact CE1-SD 3.59Å; Y66-M191 VanDerWaalsContact CE1-SD 3.59Å; L67-M191 HydrophobicContact CD2-CE 3.42Å; L67-M191 VanDerWaalsContact CD2-CE 3.42Å; L70-M191 HydrophobicContact CD1-CE 4.38Å; L70-M191 HydrophobicContact CD1-SD 4Å; F185-M191 HydrophobicContact CB-CE 4.03Å; F185-M191 HydrophobicContact CD1-CE 3.71Å; F185-M191 HydrophobicContact CE1-CE 4.37Å; F185-M191 HydrophobicContact CG-CE 3.84Å; N188-M191 WeakPolarHBondContact O-CE 3.29Å; L189-M191 PolarHBondContact O-N 2.83Å
192P89.7Confident90.1Very high3 Ų334.6 Ų34.62%0.01919%0.187CC..  trans-66.8140.8179.726.5-32.6000110.6L20 K23 E24 L27 F197 P249L20-P192 HydrophobicContact CD2-CB 4.18Å; K23-P192 HydrophobicContact CB-CG 4.05Å; E24-P192 HydrophobicContact CB-CG 3.82Å; L27-P192 HydrophobicContact CD1-CG 4.23Å; L27-P192 HydrophobicContact CD2-CG 4.44Å; L27-P192 HydrophobicContact CG-CG 4.47Å; P192-F197 HydrophobicContact CB-CE2 4.05Å; P192-F197 HydrophobicContact CB-CZ 4.44Å; P192-P249 WeakPolarHBondContact O-CG 3.3Å
193T94.1Very high90.2Very high4 Ų439.8 Ų39.83%0.02521%0.211CC..  trans-124.5163.6177.5670000109.3H62 L63 A195 H196H62-T193 HydrophobicContact CB-CG2 4.15Å; L63-T193 HydrophobicContact CB-CG2 4.33Å; T193-A195 PolarHBondContact O-N 2.89Å; T193-A195 VanDerWaalsContact O-N 3.13Å; T193-H196 PolarHBondContact N-ND1 2.92Å; T193-H196 WeakPolarHBondContact O-CB 3.31Å; T193-H196 PolarHBondContact O-N 2.86Å; T193-H196 PolarHBondContact OG1-CE1 3.39Å; T193-H196 PolarHBondContact OG1-ND1 3.11Å
194P96.8Very high90.3Very high21 Ų2135 Ų3514%0.13619%0.192CC..Hα-helixtrans-55.1-34.6-180-25.533.5000112.8H196 F197 I198 L235 P249 V252 A253P194-H196 PolarHBondContact O-N 2.67Å; P194-H196 VanDerWaalsContact O-N 3.15Å; P194-F197 PolarHBondContact O-N 2.94Å; P194-I198 PolarHBondContact O-N 3.23Å; P194-L235 HydrophobicContact CB-CD1 3.59Å; P194-P249 WeakPolarHBondContact CA-O 3.49Å; P194-P249 HydrophobicContact CG-CB 4.25Å; P194-V252 HydrophobicContact CB-CB 4.13Å; P194-V252 HydrophobicContact CB-CG1 4.05Å; P194-V252 HydrophobicContact CG-CB 3.86Å; P194-V252 HydrophobicContact CG-CG1 3.87Å; P194-V252 HydrophobicContact CG-CG2 4.48Å; P194-A253 HydrophobicContact CB-CB 4.31Å
195A92.6Very high90.4Very high5 Ų533.1 Ų33.14%0.04118%0.18CC..Hα-helixtrans-61.1-20.5175.600000114.4H62 T193 L235H62-A195 HydrophobicContact CB-CB 4.08Å; T193-A195 PolarHBondContact O-N 2.89Å; T193-A195 VanDerWaalsContact O-N 3.13Å; A195-L235 HydrophobicContact CB-CD1 4.44Å; A195-L235 HydrophobicContact CB-CD2 4Å
196H88.2Confident90.7Very high41 Ų4132.5 Ų32.519%0.1918%0.178CC..Hα-helixtrans-75.8-24.7173.7-6987.5000112.6W7 L20 T59 T193 P194W7-H196 WeakPolarHBondContact CZ2-O 3.49Å; L20-H196 HydrophobicContact CD1-CB 4.31Å; T59-H196 WeakPolarHBondContact CG2-CE1 3.39Å; T59-H196 WeakPolarHBondContact CG2-NE2 3.34Å; T193-H196 PolarHBondContact N-ND1 2.92Å; T193-H196 WeakPolarHBondContact O-CB 3.31Å; T193-H196 PolarHBondContact O-N 2.86Å; T193-H196 PolarHBondContact OG1-CE1 3.39Å; T193-H196 PolarHBondContact OG1-ND1 3.11Å; P194-H196 PolarHBondContact O-N 2.67Å; P194-H196 VanDerWaalsContact O-N 3.15Å
197F93.2Very high91Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-99.1-23.1-175.9-67.1-81.5000113.2H17 L20 R21 P192 P194 D199 Y200 Y201 P249 A253H17-F197 AromaticContact CD2-CD1 3.72Å; H17-F197 AromaticContact CD2-CE1 3.92Å; H17-F197 AromaticContact NE2-CD1 3.96Å; L20-F197 HydrophobicContact CB-CE1 3.62Å; L20-F197 HydrophobicContact CB-CE2 4.46Å; L20-F197 HydrophobicContact CB-CZ 3.53Å; L20-F197 HydrophobicContact CD1-CE1 4.42Å; R21-F197 HydrophobicContact CG-CE1 4.04Å; P192-F197 HydrophobicContact CB-CE2 4.05Å; P192-F197 HydrophobicContact CB-CZ 4.44Å; P194-F197 PolarHBondContact O-N 2.94Å; F197-D199 PolarHBondContact O-N 2.89Å; F197-Y200 PolarHBondContact O-N 3.46Å; F197-Y201 HydrophobicContact CB-CD2 4.16Å; F197-Y201 HydrophobicContact CB-CE2 3.67Å; F197-Y201 HydrophobicContact CD1-CE2 4.43Å; F197-Y201 AromaticContact CD1-CZ 3.97Å; F197-Y201 HydrophobicContact CG-CE2 4.33Å; F197-Y201 PolarHBondContact O-N 3.07Å; F197-Y201 VanDerWaalsContact O-N 3.17Å; F197-P249 HydrophobicContact CD2-CB 4.27Å; F197-P249 HydrophobicContact CE2-CB 3.98Å; F197-A253 HydrophobicContact CB-CB 3.68Å
198I92.6Very high91.2Very high2 Ų234.8 Ų34.81%0.0118%0.18CC..Hα-helixtrans-57.3-49.1-164-156.367.5000113.1P194 Y200 Y201 L202 T231 L235 A253 C256P194-I198 PolarHBondContact O-N 3.23Å; I198-Y200 VanDerWaalsContact C-N 3.33Å; I198-Y200 PolarHBondContact O-N 3.07Å; I198-Y201 PolarHBondContact O-N 3.45Å; I198-L202 VanDerWaalsContact O-CB 3.26Å; I198-L202 WeakPolarHBondContact O-CB 3.47Å; I198-L202 PolarHBondContact O-N 2.86Å; I198-T231 HydrophobicContact CD1-CG2 3.33Å; I198-T231 HydrophobicContact CG1-CG2 3.47Å; I198-T231 VanDerWaalsContact CG1-CG2 3.47Å; I198-L235 HydrophobicContact CB-CD2 4.24Å; I198-L235 HydrophobicContact CG1-CD2 4.2Å; I198-L235 HydrophobicContact CG2-CD2 3.98Å; I198-A253 HydrophobicContact CD1-CB 3.95Å; I198-C256 HydrophobicContact CD1-CB 3.75Å
199D89.8Confident91.6Very high41 Ų4134 Ų3422%0.21919%0.191CC..Hα-helixtrans-69.1-33-176.1-69-44.3000112.5W8 F197 H203 H232W8-D199 HydrophobicContact CD2-CB 3.65Å; W8-D199 HydrophobicContact CE3-CB 3.76Å; W8-D199 HydrophobicContact CG-CB 4.33Å; W8-D199 HydrophobicContact CH2-CB 3.62Å; W8-D199 WeakPolarHBondContact CH2-OD2 3.43Å; W8-D199 HydrophobicContact CZ2-CB 3.51Å; W8-D199 HydrophobicContact CZ3-CB 3.75Å; F197-D199 PolarHBondContact O-N 2.89Å; D199-H203 PolarHBondContact O-N 2.9Å; D199-H232 IonicContact OD1-CE1 3.14Å; D199-H232 IonicContact OD1-NE2 3.93Å
200Y89.5Confident92.1Very high26 Ų2633.7 Ų33.710%0.10219%0.189CC..Hα-helixtrans-65.7-41.2176.1-177.7-105000111W7 W8 A13 H17 F197 I198 L277W7-Y200 HydrophobicContact CH2-CD2 4.07Å; W7-Y200 HydrophobicContact CH2-CG 4.01Å; W7-Y200 HydrophobicContact CZ3-CD2 4.06Å; W7-Y200 HydrophobicContact CZ3-CG 4.45Å; W8-Y200 HydrophobicContact CB-CD2 3.69Å; W8-Y200 HydrophobicContact CB-CG 4.31Å; A13-Y200 HydrophobicContact CB-CD2 4.28Å; A13-Y200 HydrophobicContact CB-CE2 3.81Å; H17-Y200 HydrophobicContact CB-CD1 4.17Å; H17-Y200 HydrophobicContact CB-CE1 3.77Å; H17-Y200 AromaticContact CD2-CD1 3.46Å; H17-Y200 VanDerWaalsContact CD2-CD1 3.46Å; H17-Y200 WeakPolarHBondContact CD2-CD1 3.35Å; H17-Y200 AromaticContact CD2-CE1 3.51Å; H17-Y200 AromaticContact CG-CD1 3.85Å; H17-Y200 AromaticContact CG-CE1 3.46Å; H17-Y200 VanDerWaalsContact CG-CE1 3.46Å; H17-Y200 AromaticContact ND1-CE1 3.94Å; H17-Y200 AromaticContact NE2-CE1 3.98Å; F197-Y200 PolarHBondContact O-N 3.46Å; I198-Y200 VanDerWaalsContact C-N 3.33Å; I198-Y200 PolarHBondContact O-N 3.07Å; Y200-L277 HydrophobicContact CD1-CD2 4.46Å; Y200-L277 HydrophobicContact CD1-CG 4.49Å; Y200-L277 HydrophobicContact CE1-CD1 3.58Å; Y200-L277 HydrophobicContact CE1-CD2 4.24Å; Y200-L277 HydrophobicContact CE1-CG 3.86Å; Y200-L277 WeakPolarHBondContact OH-CD1 3.37Å
201Y96.1Very high92.6Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-75.5-38.3176.6-59.9-20.6000112.8H17 F197 I198 H203 A204 A205 S250 A253 A254 L277 T278H17-Y201 AromaticContact CD2-CE1 3.79Å; H17-Y201 AromaticContact NE2-CE1 3.24Å; H17-Y201 WeakPolarHBondContact NE2-CE1 3.37Å; H17-Y201 AromaticContact NE2-CZ 3.47Å; H17-Y201 PolarHBondContact NE2-OH 3.4Å; F197-Y201 HydrophobicContact CB-CD2 4.16Å; F197-Y201 HydrophobicContact CB-CE2 3.67Å; F197-Y201 HydrophobicContact CD1-CE2 4.43Å; F197-Y201 AromaticContact CD1-CZ 3.97Å; F197-Y201 HydrophobicContact CG-CE2 4.33Å; F197-Y201 PolarHBondContact O-N 3.07Å; F197-Y201 VanDerWaalsContact O-N 3.17Å; I198-Y201 PolarHBondContact O-N 3.45Å; Y201-H203 PolarHBondContact O-N 3.01Å; Y201-A204 PolarHBondContact O-N 3.46Å; Y201-A205 PolarHBondContact O-N 3.26Å; Y201-S250 WeakPolarHBondContact CE2-O 3.48Å; Y201-S250 WeakPolarHBondContact OH-CB 3.38Å; Y201-A253 HydrophobicContact CD2-CB 3.91Å; Y201-A253 HydrophobicContact CE2-CB 3.95Å; Y201-A254 HydrophobicContact CD2-CB 4.3Å; Y201-A254 HydrophobicContact CE2-CB 4.24Å; Y201-L277 HydrophobicContact CD1-CD2 4.1Å; Y201-T278 HydrophobicContact CD1-CG2 3.68Å; Y201-T278 HydrophobicContact CD2-CG2 4.28Å; Y201-T278 HydrophobicContact CE1-CG2 3.61Å; Y201-T278 HydrophobicContact CE2-CG2 4.21Å; Y201-T278 HydrophobicContact CG-CG2 4.03Å
202L93.6Very high92.9Very high27 Ų2736.6 Ų36.614%0.14120%0.196CC..Hα-helixtrans-57.9-31.8177.9-175.862.4000112I198 A204 A205 M227 D228 T231I198-L202 VanDerWaalsContact O-CB 3.26Å; I198-L202 WeakPolarHBondContact O-CB 3.47Å; I198-L202 PolarHBondContact O-N 2.86Å; L202-A204 PolarHBondContact O-N 2.98Å; L202-A205 HydrophobicContact CD1-CB 4.06Å; L202-A205 WeakPolarHBondContact O-CB 3.19Å; L202-A205 PolarHBondContact O-N 3.23Å; L202-M227 HydrophobicContact CD1-CB 4.16Å; L202-D228 HydrophobicContact CD2-CB 4.01Å; L202-D228 VanDerWaalsContact CD2-OD1 3.28Å; L202-D228 WeakPolarHBondContact CD2-OD1 3.41Å; L202-T231 HydrophobicContact CD1-CG2 4.44Å
203H90.9Very high93Very high125 Ų12540.4 Ų40.458%0.57922%0.216SC*.THydrogen-bonded Turntrans-58.2-34.4176.2-174.6-95000113.5D199 Y201D199-H203 PolarHBondContact O-N 2.9Å; Y201-H203 PolarHBondContact O-N 3.01Å
204A93.8Very high92.8Very high19 Ų1942.6 Ų42.616%0.15724%0.24CC..THydrogen-bonded Turntrans-97.8517800000113.3Y201 L202 V206 L274 L277Y201-A204 PolarHBondContact O-N 3.46Å; L202-A204 PolarHBondContact O-N 2.98Å; A204-V206 PolarHBondContact O-N 3.41Å; A204-L274 HydrophobicContact CB-CD2 4.11Å; A204-L277 HydrophobicContact CB-CD2 3.64Å
205A95.1Very high92.5Very high0 Ų050.8 Ų50.80%027%0.268CS..SBendtrans-79.3-9.7-168.500000115.3Y201 L202 M227 V257 R261Y201-A205 PolarHBondContact O-N 3.26Å; L202-A205 HydrophobicContact CD1-CB 4.06Å; L202-A205 WeakPolarHBondContact O-CB 3.19Å; L202-A205 PolarHBondContact O-N 3.23Å; A205-M227 HydrophobicContact CB-CE 3.89Å; A205-V257 HydrophobicContact CB-CG1 3.53Å; A205-R261 PolarHBondContact O-NH1 3.37Å
206V96Very high92.6Very high11 Ų1155 Ų557%0.06730%0.295CS..  trans-137.1126.4174.2-172.10000109.2A204 D210 L217 M220 T223 K224 M227A204-V206 PolarHBondContact O-N 3.41Å; V206-D210 WeakPolarHBondContact CA-OD2 3.43Å; V206-L217 HydrophobicContact CG1-CD1 3.74Å; V206-M220 HydrophobicContact CB-CE 4.46Å; V206-M220 HydrophobicContact CG1-CE 3.74Å; V206-M220 HydrophobicContact CG1-SD 3.95Å; V206-T223 HydrophobicContact CG1-CG2 3.85Å; V206-T223 HydrophobicContact CG2-CG2 4.13Å; V206-K224 HydrophobicContact CB-CG 3.87Å; V206-K224 HydrophobicContact CG1-CG 4.35Å; V206-K224 HydrophobicContact CG2-CG 3.95Å; V206-M227 HydrophobicContact CG2-CB 4.04Å; V206-M227 HydrophobicContact CG2-CG 3.5Å; V206-M227 VanDerWaalsContact CG2-CG 3.5Å
207Q93.8Very high92.8Very high65 Ų6554.3 Ų54.330%0.30429%0.293SS..  trans-119.5157.5-177.7-47-148.2-73.500111.1G209 D210 T271 S273Q207-G209 PolarHBondContact O-N 2.86Å; Q207-D210 PolarHBondContact N-OD2 3.15Å; Q207-D210 WeakPolarHBondContact O-CB 3.2Å; Q207-D210 PolarHBondContact O-N 3.33Å; Q207-D210 VanDerWaalsContact O-N 3.16Å; Q207-T271 HydrophobicContact CG-CG2 4.45Å; Q207-S273 VanDerWaalsContact CD-OG 3.23Å; Q207-S273 PolarHBondContact NE2-OG 3.45Å; Q207-S273 PolarHBondContact OE1-OG 3.46Å
208E90.3Very high92.6Very high182 Ų18259.5 Ų59.585%0.8533%0.329SS*.THydrogen-bonded Turntrans-64.5-27.3-178.5-66.6179.4176.400113.1D210 M220E208-D210 VanDerWaalsContact C-N 3.31Å; E208-M220 HydrophobicContact CG-CE 4.24Å
209G91.1Very high92.6Very high66 Ų6661.2 Ų61.268%0.6834%0.341SS*.THydrogen-bonded Turntrans-85.55.4176.800000115Q207Q207-G209 PolarHBondContact O-N 2.86Å
210D96Very high92.8Very high4 Ų461.8 Ų61.82%0.02134%0.343CS..  trans-71.7150177.8-73.3-23.9000111.4V206 Q207 E208 L217 R261 I266V206-D210 WeakPolarHBondContact CA-OD2 3.43Å; Q207-D210 PolarHBondContact N-OD2 3.15Å; Q207-D210 WeakPolarHBondContact O-CB 3.2Å; Q207-D210 PolarHBondContact O-N 3.33Å; Q207-D210 VanDerWaalsContact O-N 3.16Å; E208-D210 VanDerWaalsContact C-N 3.31Å; D210-L217 HydrophobicContact CB-CD1 3.7Å; D210-L217 HydrophobicContact CB-CG 4.18Å; D210-L217 WeakPolarHBondContact O-CG 3.18Å; D210-R261 IonicContact OD1-CZ 2.75Å; D210-R261 IonicContact OD1-NH1 2.71Å; D210-R261 IonicContact OD1-NH2 2.75Å; D210-R261 PolarHBondContact OD1-NH2 3.41Å; D210-R261 IonicContact OD2-CZ 3.71Å; D210-R261 IonicContact OD2-NH1 2.73Å; D210-R261 PolarHBondContact OD2-NH1 2.94Å; D210-R261 IonicContact OD2-NH2 3.9Å; D210-R261 PolarHBondContact OD2-NH2 2.88Å; D210-I266 HydrophobicContact CB-CG2 3.93Å
211L95.1Very high93Very high64 Ų6465.2 Ų65.234%0.33537%0.371SS..EExtended strand (participates in β ladder)trans-118136.9177.4-53.7172.5000110.5W215 I266 S267L211-W215 CarbonylContact C-O 3.39Å; L211-W215 WeakPolarHBondContact CA-O 3.49Å; L211-I266 CarbonylContact O-C 3.59Å; L211-I266 WeakPolarHBondContact O-CA 3.35Å; L211-S267 WeakPolarHBondContact CB-OG 3.32Å; L211-S267 PolarHBondContact N-O 3.36Å; L211-S267 PolarHBondContact O-N 3.3Å; L211-S267 PolarHBondContact O-OG 2.91Å
212Y93Very high92.9Very high63 Ų6372.1 Ų72.125%0.24740%0.401CS..EExtended strand (participates in β ladder)trans-99.6117.2167.7173.1-105.6000109.2G214 W215 L264 Q265 F435Y212-G214 PolarHBondContact O-N 3.47Å; Y212-G214 VanDerWaalsContact O-N 3.15Å; Y212-W215 PolarHBondContact N-O 2.89Å; Y212-W215 WeakPolarHBondContact O-CB 3.33Å; Y212-W215 PolarHBondContact O-N 2.77Å; Y212-L264 WeakPolarHBondContact CD2-O 3.34Å; Y212-L264 WeakPolarHBondContact CE2-O 3.12Å; Y212-Q265 HydrophobicContact CE2-CB 4.4Å; Y212-F435 HydrophobicContact CE1-CD1 4.47Å; Y212-F435 HydrophobicContact CE1-CD2 4.33Å; Y212-F435 HydrophobicContact CE1-CE1 4.19Å; Y212-F435 HydrophobicContact CE1-CE2 4.04Å; Y212-F435 AromaticContact CE1-CZ 3.96Å; Y212-F435 HydrophobicContact CE1-CZ 3.96Å; Y212-F435 AromaticContact CZ-CE2 3.89Å; Y212-F435 WeakPolarHBondContact OH-CE2 3.38Å
213N90.5Very high92.9Very high82 Ų8271.8 Ų71.844%0.43940%0.4SS..THydrogen-bonded Turntrans50.837.3-176.3-73.8-27.2000114W215 Q265N213-W215 VanDerWaalsContact O-CD1 3.29Å; N213-W215 PolarHBondContact O-N 3.15Å; N213-Q265 VanDerWaalsContact CG-OE1 3.24Å; N213-Q265 PolarHBondContact N-O 3.13Å; N213-Q265 PolarHBondContact ND2-OE1 3.18Å; N213-Q265 WeakPolarHBondContact OD1-CB 3.38Å; N213-Q265 VanDerWaalsContact OD1-CD 3.3Å; N213-Q265 PolarHBondContact OD1-OE1 2.89Å
214G90.3Very high93.1Very high50 Ų5070.9 Ų70.952%0.51540%0.395SS..THydrogen-bonded Turntrans80.2-4.1-177.600000115.1Y212Y212-G214 PolarHBondContact O-N 3.47Å; Y212-G214 VanDerWaalsContact O-N 3.15Å
215W91.6Very high93.2Very high193 Ų19372.4 Ų72.473%0.73141%0.407SS*.EExtended strand (participates in β ladder)trans-103.8152.1178.4-6398.9000112.1L211 Y212 N213L211-W215 CarbonylContact C-O 3.39Å; L211-W215 WeakPolarHBondContact CA-O 3.49Å; Y212-W215 PolarHBondContact N-O 2.89Å; Y212-W215 WeakPolarHBondContact O-CB 3.33Å; Y212-W215 PolarHBondContact O-N 2.77Å; N213-W215 VanDerWaalsContact O-CD1 3.29Å; N213-W215 PolarHBondContact O-N 3.15Å
216P93.8Very high93.1Very high94 Ų9477.4 Ų77.461%0.6143%0.429SS*.EExtended strand (participates in β ladder)trans-56143.4174.4-24.334.2000112.4S218P216-S218 PolarHBondContact O-N 3.49Å
217L91.9Very high93.2Very high27 Ų2777 Ų7714%0.14143%0.426CS..PPolyproline II helixtrans-58.4124.1178-68.8-179.5000111.7V206 D210 S219 M220 T223V206-L217 HydrophobicContact CG1-CD1 3.74Å; D210-L217 HydrophobicContact CB-CD1 3.7Å; D210-L217 HydrophobicContact CB-CG 4.18Å; D210-L217 WeakPolarHBondContact O-CG 3.18Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 2.89Å; L217-M220 HydrophobicContact CB-SD 4.48Å; L217-M220 HydrophobicContact CD1-SD 3.56Å; L217-M220 VanDerWaalsContact CD1-SD 3.56Å; L217-T223 HydrophobicContact CD1-CG2 4.08Å; L217-T223 HydrophobicContact CD2-CG2 4.11Å
218S89.8Confident93.2Very high108 Ų10877.1 Ų77.176%0.75543%0.429SS*.SBendtrans-67.8-29.3179.1-38.70000113P216P216-S218 PolarHBondContact O-N 3.49Å
219S93.3Very high93.3Very high39 Ų3975.1 Ų75.127%0.27342%0.417SS..  trans-158.6113.1178-178.20000112.7L217 S221 K222 T223L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 2.89Å; S219-S221 VanDerWaalsContact C-N 3.35Å; S219-S221 PolarHBondContact O-N 3.43Å; S219-K222 PolarHBondContact O-N 3.28Å; S219-T223 PolarHBondContact O-N 2.97Å; S219-T223 PolarHBondContact O-OG1 2.98Å
220M93.3Very high93.5Very high52 Ų5276.3 Ų76.326%0.25640%0.402SS..Hα-helixtrans-57.9-43177.9-72.5-64.1-73.800113.2V206 E208 L217 K222 T223 K224V206-M220 HydrophobicContact CB-CE 4.46Å; V206-M220 HydrophobicContact CG1-CE 3.74Å; V206-M220 HydrophobicContact CG1-SD 3.95Å; E208-M220 HydrophobicContact CG-CE 4.24Å; L217-M220 HydrophobicContact CB-SD 4.48Å; L217-M220 HydrophobicContact CD1-SD 3.56Å; L217-M220 VanDerWaalsContact CD1-SD 3.56Å; M220-K222 PolarHBondContact O-N 2.97Å; M220-T223 PolarHBondContact O-N 3.48Å; M220-K224 WeakPolarHBondContact O-CB 3.49Å; M220-K224 VanDerWaalsContact O-CG 3.32Å; M220-K224 WeakPolarHBondContact O-CG 3.35Å; M220-K224 PolarHBondContact O-N 3.33Å
221S93.9Very high93.6Very high98 Ų9876.1 Ų76.169%0.68540%0.401SS*.Hα-helixtrans-65.4-40.6-178.7-54.80000112S219 A225S219-S221 VanDerWaalsContact C-N 3.35Å; S219-S221 PolarHBondContact O-N 3.43Å; S221-A225 PolarHBondContact O-N 2.79Å; S221-A225 VanDerWaalsContact O-N 3.08Å
222K93Very high93.5Very high145 Ų14575.2 Ų75.263%0.6340%0.395SS*.Hα-helixtrans-66.5-46.8176-66.6-177.9-177.3177.90110.7S219 M220 K224 A225 F226S219-K222 PolarHBondContact O-N 3.28Å; M220-K222 PolarHBondContact O-N 2.97Å; K222-K224 VanDerWaalsContact C-N 3.34Å; K222-K224 PolarHBondContact O-N 2.82Å; K222-A225 WeakPolarHBondContact O-CB 3.41Å; K222-A225 PolarHBondContact O-N 3.44Å; K222-A225 VanDerWaalsContact O-N 3.12Å; K222-F226 WeakPolarHBondContact O-CD2 3.22Å; K222-F226 PolarHBondContact O-N 2.96Å
223T94.9Very high93.6Very high20 Ų2077.3 Ų77.312%0.12340%0.403CS..Hα-helixtrans-59.8-43.9178.2-54.10000111.7V206 L217 S219 M220 A225 F226 M227 I266V206-T223 HydrophobicContact CG1-CG2 3.85Å; V206-T223 HydrophobicContact CG2-CG2 4.13Å; L217-T223 HydrophobicContact CD1-CG2 4.08Å; L217-T223 HydrophobicContact CD2-CG2 4.11Å; S219-T223 PolarHBondContact O-N 2.97Å; S219-T223 PolarHBondContact O-OG1 2.98Å; M220-T223 PolarHBondContact O-N 3.48Å; T223-A225 VanDerWaalsContact C-N 3.32Å; T223-A225 PolarHBondContact O-N 3.43Å; T223-F226 PolarHBondContact O-N 3.36Å; T223-M227 WeakPolarHBondContact O-CB 3.2Å; T223-M227 WeakPolarHBondContact O-CG 3.39Å; T223-M227 PolarHBondContact O-N 3.27Å; T223-I266 HydrophobicContact CG2-CD1 3.51Å; T223-I266 HydrophobicContact CG2-CG1 4.44Å
224K95.3Very high93.8Very high107 Ų10773.4 Ų73.447%0.46538%0.382SS..Hα-helixtrans-60.3-40.2174.6-76.2179.4177-177.10112.3V206 M220 K222 M227 D228V206-K224 HydrophobicContact CB-CG 3.87Å; V206-K224 HydrophobicContact CG1-CG 4.35Å; V206-K224 HydrophobicContact CG2-CG 3.95Å; M220-K224 WeakPolarHBondContact O-CB 3.49Å; M220-K224 VanDerWaalsContact O-CG 3.32Å; M220-K224 WeakPolarHBondContact O-CG 3.35Å; M220-K224 PolarHBondContact O-N 3.33Å; K222-K224 VanDerWaalsContact C-N 3.34Å; K222-K224 PolarHBondContact O-N 2.82Å; K224-M227 PolarHBondContact O-N 2.81Å; K224-D228 WeakPolarHBondContact O-CB 3.41Å; K224-D228 PolarHBondContact O-N 3.45Å
225A94.6Very high94.1Very high50 Ų5071.1 Ų71.141%0.41336%0.358SS..Hα-helixtrans-67.5-36.1176.800000113S221 K222 T223 K229S221-A225 PolarHBondContact O-N 2.79Å; S221-A225 VanDerWaalsContact O-N 3.08Å; K222-A225 WeakPolarHBondContact O-CB 3.41Å; K222-A225 PolarHBondContact O-N 3.44Å; K222-A225 VanDerWaalsContact O-N 3.12Å; T223-A225 VanDerWaalsContact C-N 3.32Å; T223-A225 PolarHBondContact O-N 3.43Å; A225-K229 WeakPolarHBondContact O-CG 3.24Å; A225-K229 PolarHBondContact O-N 3.46Å
226F94.7Very high94.1Very high106 Ų10664.4 Ų64.447%0.46534%0.335SS..Hα-helixtrans-69.3-44.2172.4-74.3-65000111.8K222 T223 D228 K229 Y230 L264K222-F226 WeakPolarHBondContact O-CD2 3.22Å; K222-F226 PolarHBondContact O-N 2.96Å; T223-F226 PolarHBondContact O-N 3.36Å; F226-D228 VanDerWaalsContact C-N 3.3Å; F226-D228 PolarHBondContact O-N 2.99Å; F226-K229 PolarHBondContact O-N 3.36Å; F226-Y230 WeakPolarHBondContact O-CD2 3.49Å; F226-Y230 PolarHBondContact O-N 2.93Å; F226-L264 HydrophobicContact CB-CD1 3.93Å; F226-L264 HydrophobicContact CB-CD2 4.21Å
227M96.4Very high94.1Very high1 Ų160.8 Ų60.81%0.00531%0.311CS..Hα-helixtrans-57.3-43.8176.1-82.7-61.8-60.600112.1L202 A205 V206 T223 K224 K229 Y230 T231 V257 R261 L264 I266L202-M227 HydrophobicContact CD1-CB 4.16Å; A205-M227 HydrophobicContact CB-CE 3.89Å; V206-M227 HydrophobicContact CG2-CB 4.04Å; V206-M227 HydrophobicContact CG2-CG 3.5Å; V206-M227 VanDerWaalsContact CG2-CG 3.5Å; T223-M227 WeakPolarHBondContact O-CB 3.2Å; T223-M227 WeakPolarHBondContact O-CG 3.39Å; T223-M227 PolarHBondContact O-N 3.27Å; K224-M227 PolarHBondContact O-N 2.81Å; M227-K229 PolarHBondContact O-N 2.92Å; M227-Y230 PolarHBondContact O-N 3.26Å; M227-T231 WeakPolarHBondContact O-CB 3.43Å; M227-T231 PolarHBondContact O-N 3.25Å; M227-T231 PolarHBondContact O-OG1 3.14Å; M227-V257 HydrophobicContact CE-CG1 4.12Å; M227-R261 HydrophobicContact CE-CG 3.59Å; M227-R261 HydrophobicContact SD-CG 3.86Å; M227-L264 HydrophobicContact CG-CD1 4.04Å; M227-L264 HydrophobicContact SD-CD1 3.62Å; M227-I266 HydrophobicContact CG-CD1 3.95Å; M227-I266 HydrophobicContact SD-CD1 3.82Å
228D94.1Very high94.2Very high69 Ų6959.8 Ų59.837%0.36931%0.307SS..Hα-helixtrans-56.1-50.6174.9178.479.3000111.8L202 K224 F226 H232L202-D228 HydrophobicContact CD2-CB 4.01Å; L202-D228 VanDerWaalsContact CD2-OD1 3.28Å; L202-D228 WeakPolarHBondContact CD2-OD1 3.41Å; K224-D228 WeakPolarHBondContact O-CB 3.41Å; K224-D228 PolarHBondContact O-N 3.45Å; F226-D228 VanDerWaalsContact C-N 3.3Å; F226-D228 PolarHBondContact O-N 2.99Å; D228-H232 PolarHBondContact O-N 2.73Å; D228-H232 VanDerWaalsContact O-N 3.09Å; D228-H232 PolarHBondContact O-ND1 2.73Å; D228-H232 IonicContact OD1-CE1 3.8Å; D228-H232 PolarHBondContact OD1-CE1 3.28Å; D228-H232 IonicContact OD1-ND1 3.9Å
229K93.3Very high94.4Very high139 Ų13955.2 Ų55.260%0.60427%0.274SS*.Hα-helixtrans-62.6-48.6179.2-70176.4-178.5-1770113A225 F226 M227 Y233A225-K229 WeakPolarHBondContact O-CG 3.24Å; A225-K229 PolarHBondContact O-N 3.46Å; F226-K229 PolarHBondContact O-N 3.36Å; M227-K229 PolarHBondContact O-N 2.92Å; K229-Y233 WeakPolarHBondContact O-CB 3.2Å; K229-Y233 PolarHBondContact O-N 3.24Å
230Y95.8Very high94.4Very high92 Ų9255.1 Ų55.136%0.36127%0.269SS..Hα-helixtrans-66.7-40.8-178.8-88.3-103.6000111.4F226 M227 H232 Y233 F234 S260 C263 L264F226-Y230 WeakPolarHBondContact O-CD2 3.49Å; F226-Y230 PolarHBondContact O-N 2.93Å; M227-Y230 PolarHBondContact O-N 3.26Å; Y230-H232 PolarHBondContact O-N 3.14Å; Y230-Y233 WeakPolarHBondContact O-CB 3.4Å; Y230-Y233 PolarHBondContact O-N 3.07Å; Y230-F234 HydrophobicContact CD1-CE2 4.37Å; Y230-F234 WeakPolarHBondContact O-CD2 3.43Å; Y230-F234 PolarHBondContact O-N 3.39Å; Y230-S260 VanDerWaalsContact C-OG 3.22Å; Y230-C263 HydrophobicContact CD1-CB 4.13Å; Y230-C263 HydrophobicContact CE1-CB 4.07Å; Y230-L264 HydrophobicContact CD1-CG 4.46Å; Y230-L264 HydrophobicContact CD2-CD1 4.13Å; Y230-L264 HydrophobicContact CD2-CD2 3.88Å; Y230-L264 HydrophobicContact CD2-CG 4.2Å; Y230-L264 HydrophobicContact CE1-CD2 4.41Å; Y230-L264 HydrophobicContact CE2-CD2 3.64Å; Y230-L264 HydrophobicContact CE2-CG 4.39Å; Y230-L264 HydrophobicContact CG-CD1 4.22Å; Y230-L264 HydrophobicContact CG-CD2 4.36Å; Y230-L264 HydrophobicContact CG-CG 4.23Å
231T96.6Very high94.3Very high0 Ų054.5 Ų54.50%027%0.267CS..Hα-helixtrans-64.2-44.2-179.3-600000110.7I198 L202 M227 F234 L235 C256 V257 S260I198-T231 HydrophobicContact CD1-CG2 3.33Å; I198-T231 HydrophobicContact CG1-CG2 3.47Å; I198-T231 VanDerWaalsContact CG1-CG2 3.47Å; L202-T231 HydrophobicContact CD1-CG2 4.44Å; M227-T231 WeakPolarHBondContact O-CB 3.43Å; M227-T231 PolarHBondContact O-N 3.25Å; M227-T231 PolarHBondContact O-OG1 3.14Å; T231-F234 PolarHBondContact O-N 2.88Å; T231-L235 WeakPolarHBondContact O-CB 3.49Å; T231-L235 PolarHBondContact O-N 2.91Å; T231-C256 HydrophobicContact CG2-CB 4.18Å; T231-V257 HydrophobicContact CG2-CG2 3.8Å; T231-S260 WeakPolarHBondContact CA-OG 3.45Å; T231-S260 PolarHBondContact N-OG 3.02Å; T231-S260 VanDerWaalsContact N-OG 3.08Å; T231-S260 PolarHBondContact OG1-OG 2.68Å
232H94.1Very high94.4Very high45 Ų4552.7 Ų52.721%0.20825%0.247CC..Hα-helixtrans-69.5-33.2175.2-73.594000112.9D199 D228 Y230 L235 E236D199-H232 IonicContact OD1-CE1 3.14Å; D199-H232 IonicContact OD1-NE2 3.93Å; D228-H232 PolarHBondContact O-N 2.73Å; D228-H232 VanDerWaalsContact O-N 3.09Å; D228-H232 PolarHBondContact O-ND1 2.73Å; D228-H232 IonicContact OD1-CE1 3.8Å; D228-H232 PolarHBondContact OD1-CE1 3.28Å; D228-H232 IonicContact OD1-ND1 3.9Å; Y230-H232 PolarHBondContact O-N 3.14Å; H232-L235 WeakPolarHBondContact O-CB 3.47Å; H232-L235 PolarHBondContact O-N 3.2Å; H232-E236 WeakPolarHBondContact O-CG 3.48Å; H232-E236 PolarHBondContact O-N 3.49Å
233Y93.9Very high94.4Very high107 Ų10746.9 Ų46.942%0.4223%0.226SC..Hα-helixtrans-60.9-50171.7170.8-100.2000111.3K229 Y230 L235 E236 V237 I296K229-Y233 WeakPolarHBondContact O-CB 3.2Å; K229-Y233 PolarHBondContact O-N 3.24Å; Y230-Y233 WeakPolarHBondContact O-CB 3.4Å; Y230-Y233 PolarHBondContact O-N 3.07Å; Y233-L235 VanDerWaalsContact C-N 3.26Å; Y233-L235 PolarHBondContact O-N 3.16Å; Y233-E236 PolarHBondContact O-N 2.94Å; Y233-E236 VanDerWaalsContact O-N 3.14Å; Y233-V237 HydrophobicContact CD1-CG2 4.24Å; Y233-V237 HydrophobicContact CE1-CG2 3.78Å; Y233-V237 HydrophobicContact CE2-CG2 4.14Å; Y233-V237 WeakPolarHBondContact O-CG2 3.14Å; Y233-V237 PolarHBondContact O-N 2.91Å; Y233-I296 HydrophobicContact CD1-CD1 4.38Å; Y233-I296 HydrophobicContact CE1-CD1 3.65Å; Y233-I296 HydrophobicContact CE1-CG1 4.12Å
234F95.9Very high94.5Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-61.5-35.4176.2-84-64.9000112.9Y230 T231 V237 S238 C256 A259 S260 M292 L293 I296Y230-F234 HydrophobicContact CD1-CE2 4.37Å; Y230-F234 WeakPolarHBondContact O-CD2 3.43Å; Y230-F234 PolarHBondContact O-N 3.39Å; T231-F234 PolarHBondContact O-N 2.88Å; F234-V237 PolarHBondContact O-N 3.03Å; F234-S238 WeakPolarHBondContact O-CB 3.31Å; F234-S238 PolarHBondContact O-N 3.27Å; F234-C256 HydrophobicContact CB-CB 3.94Å; F234-A259 HydrophobicContact CD1-CB 4.26Å; F234-A259 HydrophobicContact CD2-CB 4.17Å; F234-A259 HydrophobicContact CE1-CB 3.83Å; F234-A259 HydrophobicContact CE2-CB 3.83Å; F234-A259 HydrophobicContact CG-CB 4.36Å; F234-A259 HydrophobicContact CZ-CB 3.61Å; F234-S260 WeakPolarHBondContact CD2-OG 3.22Å; F234-M292 HydrophobicContact CB-SD 3.96Å; F234-M292 HydrophobicContact CD1-CE 4.42Å; F234-M292 HydrophobicContact CD1-CG 3.24Å; F234-M292 HydrophobicContact CD1-SD 3.76Å; F234-M292 HydrophobicContact CE1-CG 3.58Å; F234-M292 HydrophobicContact CG-CG 4.23Å; F234-M292 HydrophobicContact CG-SD 4.23Å; F234-L293 HydrophobicContact CE1-CD2 4.17Å; F234-L293 HydrophobicContact CZ-CD2 3.83Å; F234-I296 HydrophobicContact CD1-CD1 3.83Å; F234-I296 HydrophobicContact CE1-CD1 3Å; F234-I296 HydrophobicContact CE1-CG1 3.87Å; F234-I296 HydrophobicContact CE2-CD1 4.15Å; F234-I296 HydrophobicContact CZ-CD1 3.19Å; F234-I296 HydrophobicContact CZ-CG1 4.43Å
235L95.5Very high94.5Very high1 Ų143.6 Ų43.61%0.00521%0.212CC..Hα-helixtrans-59.4-47.7173.3178.666000111.1H62 P194 A195 I198 T231 H232 Y233 S238 L239H62-L235 WeakPolarHBondContact NE2-CD1 3.44Å; H62-L235 WeakPolarHBondContact NE2-CG 3.35Å; H62-L235 PolarHBondContact NE2-O 3.35Å; P194-L235 HydrophobicContact CB-CD1 3.59Å; A195-L235 HydrophobicContact CB-CD1 4.44Å; A195-L235 HydrophobicContact CB-CD2 4Å; I198-L235 HydrophobicContact CB-CD2 4.24Å; I198-L235 HydrophobicContact CG1-CD2 4.2Å; I198-L235 HydrophobicContact CG2-CD2 3.98Å; T231-L235 WeakPolarHBondContact O-CB 3.49Å; T231-L235 PolarHBondContact O-N 2.91Å; H232-L235 WeakPolarHBondContact O-CB 3.47Å; H232-L235 PolarHBondContact O-N 3.2Å; Y233-L235 VanDerWaalsContact C-N 3.26Å; Y233-L235 PolarHBondContact O-N 3.16Å; L235-S238 PolarHBondContact O-N 2.95Å; L235-S238 PolarHBondContact O-OG 3.26Å; L235-L239 PolarHBondContact O-N 3.49Å
236E92.9Very high94.5Very high52 Ų5246.9 Ų46.924%0.24322%0.223CC..Hα-helixtrans-66.1-36.7175.5-61.5-60.3138.400112.3R61 H62 H232 Y233 S238 L239 Q240R61-E236 WeakPolarHBondContact CD-OE2 3.47Å; R61-E236 IonicContact CZ-OE1 3.61Å; R61-E236 IonicContact CZ-OE2 3.64Å; R61-E236 IonicContact NE-OE2 3.36Å; R61-E236 VanDerWaalsContact NH1-CD 3.26Å; R61-E236 IonicContact NH1-OE1 3.51Å; R61-E236 PolarHBondContact NH1-OE1 3.49Å; R61-E236 IonicContact NH1-OE2 2.9Å; R61-E236 PolarHBondContact NH1-OE2 3.2Å; R61-E236 VanDerWaalsContact NH1-OE2 3.14Å; H62-E236 IonicContact CE1-OE1 3.61Å; H232-E236 WeakPolarHBondContact O-CG 3.48Å; H232-E236 PolarHBondContact O-N 3.49Å; Y233-E236 PolarHBondContact O-N 2.94Å; Y233-E236 VanDerWaalsContact O-N 3.14Å; E236-S238 VanDerWaalsContact C-N 3.31Å; E236-S238 PolarHBondContact O-N 2.89Å; E236-L239 WeakPolarHBondContact O-CB 3.44Å; E236-L239 PolarHBondContact O-N 3.22Å; E236-Q240 WeakPolarHBondContact O-CG 3.49Å; E236-Q240 PolarHBondContact O-N 3.48Å
237V92.4Very high94.6Very high18 Ų1844 Ų4411%0.10921%0.21CC..Hα-helixtrans-60.3-43.1173171.30000110.8Y233 F234 L239 Q240 I295Y233-V237 HydrophobicContact CD1-CG2 4.24Å; Y233-V237 HydrophobicContact CE1-CG2 3.78Å; Y233-V237 HydrophobicContact CE2-CG2 4.14Å; Y233-V237 WeakPolarHBondContact O-CG2 3.14Å; Y233-V237 PolarHBondContact O-N 2.91Å; F234-V237 PolarHBondContact O-N 3.03Å; V237-L239 PolarHBondContact O-N 3.42Å; V237-Q240 WeakPolarHBondContact O-CB 3.34Å; V237-Q240 PolarHBondContact O-N 3.27Å; V237-Q240 VanDerWaalsContact O-N 3.1Å; V237-I295 HydrophobicContact CG1-CB 4.27Å; V237-I295 HydrophobicContact CG1-CG2 3.62Å
238S95.2Very high94.6Very high7 Ų749.7 Ų49.75%0.04923%0.232CC..Hα-helixtrans-62.5-29.4178.980.10000112.7F234 L235 E236 Q240 F244F234-S238 WeakPolarHBondContact O-CB 3.31Å; F234-S238 PolarHBondContact O-N 3.27Å; L235-S238 PolarHBondContact O-N 2.95Å; L235-S238 PolarHBondContact O-OG 3.26Å; E236-S238 VanDerWaalsContact C-N 3.31Å; E236-S238 PolarHBondContact O-N 2.89Å; S238-Q240 VanDerWaalsContact C-N 3.3Å; S238-Q240 PolarHBondContact O-N 3.4Å; S238-F244 VanDerWaalsContact CA-CD2 3.49Å; S238-F244 VanDerWaalsContact O-CD2 3.26Å; S238-F244 WeakPolarHBondContact O-CD2 3.24Å
239L94.5Very high94.8Very high12 Ų1247.2 Ų47.26%0.06322%0.219CC..Hα-helixtrans-70.8-27.5178-167.658.5000112.6R40 R61 H62 V65 L235 E236 V237R40-L239 PolarHBondContact NH1-O 3.32Å; R40-L239 PolarHBondContact NH2-O 3.39Å; R61-L239 HydrophobicContact CG-CD2 4.01Å; H62-L239 HydrophobicContact CB-CD1 4.41Å; V65-L239 HydrophobicContact CB-CD1 3.72Å; V65-L239 HydrophobicContact CB-CG 4.26Å; V65-L239 HydrophobicContact CG1-CD1 3.72Å; V65-L239 HydrophobicContact CG1-CG 4.19Å; V65-L239 HydrophobicContact CG2-CD1 4.11Å; V65-L239 HydrophobicContact CG2-CD2 4.04Å; V65-L239 HydrophobicContact CG2-CG 4.12Å; L235-L239 PolarHBondContact O-N 3.49Å; E236-L239 WeakPolarHBondContact O-CB 3.44Å; E236-L239 PolarHBondContact O-N 3.22Å; V237-L239 PolarHBondContact O-N 3.42Å
240Q92.1Very high95Very high37 Ų3740.6 Ų40.617%0.17319%0.191CC..Hα-helixtrans-78.4-20.6-174-68.3-65.3-14.500114.1R40 D45 E236 V237 S238R40-Q240 PolarHBondContact NH1-O 3.11Å; D45-Q240 VanDerWaalsContact OD1-CD 3.29Å; D45-Q240 PolarHBondContact OD1-NE2 2.89Å; D45-Q240 PolarHBondContact OD1-OE1 2.86Å; E236-Q240 WeakPolarHBondContact O-CG 3.49Å; E236-Q240 PolarHBondContact O-N 3.48Å; V237-Q240 WeakPolarHBondContact O-CB 3.34Å; V237-Q240 PolarHBondContact O-N 3.27Å; V237-Q240 VanDerWaalsContact O-N 3.1Å; S238-Q240 VanDerWaalsContact C-N 3.3Å; S238-Q240 PolarHBondContact O-N 3.4Å
241D92.4Very high95.1Very high39 Ų3937.7 Ų37.721%0.20918%0.18CC..  trans-118.3123.9-179.5-157.9-43.9000111.3R41 A243 F244 I295R41-D241 IonicContact NH2-OD2 2.73Å; D241-A243 PolarHBondContact O-N 2.78Å; D241-A243 VanDerWaalsContact OD1-CB 3.25Å; D241-A243 WeakPolarHBondContact OD1-CB 3.44Å; D241-A243 PolarHBondContact OD1-N 2.99Å; D241-F244 HydrophobicContact CB-CD2 3.97Å; D241-F244 HydrophobicContact CB-CE2 4.07Å; D241-F244 WeakPolarHBondContact O-CD2 3.47Å; D241-F244 PolarHBondContact O-N 2.88Å; D241-I295 HydrophobicContact CB-CD1 4.1Å
242H94.1Very high95.2Very high59 Ų5937.8 Ų37.827%0.27318%0.181SC..G310 helixtrans-69.2-13.6179.669.484.9000112.8Y30 F244 L245Y30-H242 HydrophobicContact CE1-CB 3.87Å; Y30-H242 AromaticContact CE1-ND1 3.83Å; H242-F244 PolarHBondContact O-N 2.89Å; H242-F244 VanDerWaalsContact O-N 3.17Å; H242-L245 HydrophobicContact CB-CD1 4.28Å; H242-L245 VanDerWaalsContact O-CB 3.3Å; H242-L245 WeakPolarHBondContact O-CB 3.22Å; H242-L245 PolarHBondContact O-N 3.18Å
243A94.3Very high95.4Very high23 Ų2335.6 Ų35.619%0.1917%0.171CC..G310 helixtrans-56.9-28.3174.300000112.4D241 L245 N246 L291D241-A243 PolarHBondContact O-N 2.78Å; D241-A243 VanDerWaalsContact OD1-CB 3.25Å; D241-A243 WeakPolarHBondContact OD1-CB 3.44Å; D241-A243 PolarHBondContact OD1-N 2.99Å; A243-L245 PolarHBondContact O-N 2.93Å; A243-N246 WeakPolarHBondContact O-CB 3.46Å; A243-N246 PolarHBondContact O-N 2.96Å; A243-N246 PolarHBondContact O-ND2 3.17Å; A243-N246 VanDerWaalsContact O-ND2 3.12Å; A243-L291 HydrophobicContact CB-CD2 3.85Å
244F96Very high95.6Very high8 Ų830.5 Ų30.54%0.03515%0.151CC..G310 helixtrans-69.4-18.1176.4-70.2-76.9000114.2S238 D241 H242 N246 F247 V252 L291 M292 I295S238-F244 VanDerWaalsContact CA-CD2 3.49Å; S238-F244 VanDerWaalsContact O-CD2 3.26Å; S238-F244 WeakPolarHBondContact O-CD2 3.24Å; D241-F244 HydrophobicContact CB-CD2 3.97Å; D241-F244 HydrophobicContact CB-CE2 4.07Å; D241-F244 WeakPolarHBondContact O-CD2 3.47Å; D241-F244 PolarHBondContact O-N 2.88Å; H242-F244 PolarHBondContact O-N 2.89Å; H242-F244 VanDerWaalsContact O-N 3.17Å; F244-N246 PolarHBondContact O-N 2.72Å; F244-F247 HydrophobicContact CD1-CD2 4.5Å; F244-F247 PolarHBondContact O-N 3.2Å; F244-F247 VanDerWaalsContact O-N 3.1Å; F244-V252 HydrophobicContact CB-CG2 4.34Å; F244-V252 HydrophobicContact CD1-CG1 4.21Å; F244-V252 HydrophobicContact CD1-CG2 4.4Å; F244-L291 HydrophobicContact CD1-CD2 4.17Å; F244-L291 HydrophobicContact CE1-CD2 3.94Å; F244-L291 HydrophobicContact CE1-CG 4.17Å; F244-L291 HydrophobicContact CE2-CD2 4.39Å; F244-L291 HydrophobicContact CE2-CG 4.47Å; F244-L291 HydrophobicContact CG-CD2 4.5Å; F244-L291 HydrophobicContact CZ-CD2 4.05Å; F244-L291 HydrophobicContact CZ-CG 3.96Å; F244-M292 HydrophobicContact CE1-CB 3.99Å; F244-M292 HydrophobicContact CE1-CG 4.41Å; F244-M292 HydrophobicContact CE1-SD 4.1Å; F244-M292 HydrophobicContact CZ-CB 3.88Å; F244-M292 HydrophobicContact CZ-CG 4.16Å; F244-M292 HydrophobicContact CZ-SD 4.23Å; F244-I295 HydrophobicContact CE2-CD1 3.45Å; F244-I295 VanDerWaalsContact CE2-CD1 3.45Å; F244-I295 HydrophobicContact CZ-CD1 3.8Å
245L95Very high95.8Very high50 Ų5030.5 Ų30.526%0.26215%0.151SC..G310 helixtrans-69.5-13174.7-61.7177.5000112.9Y30 Y66 D69 H242 A243 F247Y30-L245 HydrophobicContact CD1-CB 3.78Å; Y30-L245 HydrophobicContact CD1-CD1 3.57Å; Y30-L245 HydrophobicContact CD1-CG 4.32Å; Y30-L245 HydrophobicContact CD2-CD1 3.96Å; Y30-L245 HydrophobicContact CE1-CB 4.43Å; Y30-L245 HydrophobicContact CE1-CD1 3.68Å; Y30-L245 HydrophobicContact CE2-CD1 4.08Å; Y30-L245 HydrophobicContact CG-CB 4.2Å; Y30-L245 HydrophobicContact CG-CD1 3.69Å; Y66-L245 HydrophobicContact CD2-CD2 3.7Å; Y66-L245 HydrophobicContact CE2-CD2 3.88Å; D69-L245 HydrophobicContact CB-CD1 3.96Å; H242-L245 HydrophobicContact CB-CD1 4.28Å; H242-L245 VanDerWaalsContact O-CB 3.3Å; H242-L245 WeakPolarHBondContact O-CB 3.22Å; H242-L245 PolarHBondContact O-N 3.18Å; A243-L245 PolarHBondContact O-N 2.93Å; L245-F247 PolarHBondContact O-N 3.34Å
246N94.7Very high95.9Very high120 Ų12030.5 Ų30.564%0.64215%0.151SC*.G310 helixtrans-74.4-13.7171.6-63.6-47.3000112.8A243 F244A243-N246 WeakPolarHBondContact O-CB 3.46Å; A243-N246 PolarHBondContact O-N 2.96Å; A243-N246 PolarHBondContact O-ND2 3.17Å; A243-N246 VanDerWaalsContact O-ND2 3.12Å; F244-N246 PolarHBondContact O-N 2.72Å
247F96.8Very high96.1Very high44 Ų4428 Ų2819%0.19314%0.139CC..SBendtrans-105.2156.3177.1-58.3-80.6000110.7F244 L245 V252 P287 C288 L291F244-F247 HydrophobicContact CD1-CD2 4.5Å; F244-F247 PolarHBondContact O-N 3.2Å; F244-F247 VanDerWaalsContact O-N 3.1Å; L245-F247 PolarHBondContact O-N 3.34Å; F247-V252 HydrophobicContact CB-CG2 3.7Å; F247-P287 HydrophobicContact CE1-CB 4.11Å; F247-P287 HydrophobicContact CZ-CB 4.23Å; F247-C288 HydrophobicContact CD1-CB 3.94Å; F247-C288 HydrophobicContact CD2-CB 4.25Å; F247-C288 HydrophobicContact CE1-CB 3.87Å; F247-C288 HydrophobicContact CE2-CB 4.19Å; F247-C288 HydrophobicContact CG-CB 4.12Å; F247-C288 HydrophobicContact CZ-CB 3.99Å; F247-L291 HydrophobicContact CE2-CD2 3.86Å
248R97.4Very high96.4Very high121 Ų12127.1 Ų27.146%0.45713%0.134SC..  trans-66.3143.5173-68.6-179.2-175.7166.42.2110.2S250 Q251 V252R248-S250 PolarHBondContact O-N 2.98Å; R248-S250 VanDerWaalsContact O-N 3.16Å; R248-Q251 HydrophobicContact CB-CB 4.16Å; R248-Q251 WeakPolarHBondContact O-CA 3.34Å; R248-Q251 VanDerWaalsContact O-CB 3.29Å; R248-Q251 WeakPolarHBondContact O-CB 3.34Å; R248-Q251 PolarHBondContact O-N 3.47Å; R248-V252 PolarHBondContact O-N 3.43Å
249P97.8Very high96.5Very high17 Ų1726.8 Ų26.811%0.1113%0.132CC..Hα-helixtrans-50.9-41.3176.3-30.235.3000114.3E24 L27 P192 P194 F197 Q251 V252 A253E24-P249 HydrophobicContact CB-CG 4.38Å; L27-P249 HydrophobicContact CD1-CG 3.57Å; P192-P249 WeakPolarHBondContact O-CG 3.3Å; P194-P249 WeakPolarHBondContact CA-O 3.49Å; P194-P249 HydrophobicContact CG-CB 4.25Å; F197-P249 HydrophobicContact CD2-CB 4.27Å; F197-P249 HydrophobicContact CE2-CB 3.98Å; P249-Q251 VanDerWaalsContact C-N 3.32Å; P249-Q251 PolarHBondContact O-N 3.25Å; P249-V252 PolarHBondContact O-N 3.1Å; P249-A253 PolarHBondContact O-N 2.93Å
250S98.1Very high96.6Very high0 Ų026.2 Ų26.20%013%0.129CC..Hα-helixtrans-66.3-31.7175.867.10000113.5R21 E24 Y201 R248 A254 Y280R21-S250 VanDerWaalsContact CD-CB 3.49Å; R21-S250 PolarHBondContact NE-OG 3.3Å; E24-S250 PolarHBondContact OE1-OG 3.05Å; E24-S250 WeakPolarHBondContact OE2-CB 3.38Å; E24-S250 PolarHBondContact OE2-N 3.49Å; E24-S250 PolarHBondContact OE2-OG 3.39Å; Y201-S250 WeakPolarHBondContact CE2-O 3.48Å; Y201-S250 WeakPolarHBondContact OH-CB 3.38Å; R248-S250 PolarHBondContact O-N 2.98Å; R248-S250 VanDerWaalsContact O-N 3.16Å; S250-A254 WeakPolarHBondContact O-CB 3.46Å; S250-A254 PolarHBondContact O-N 3.14Å; S250-A254 VanDerWaalsContact O-N 3.07Å; S250-Y280 PolarHBondContact OG-OH 3.39Å
251Q98.4Very high96.8Very high31 Ų3124.5 Ų24.515%0.14512%0.12CC..Hα-helixtrans-72.7-42.1177.5-169.7-179.2-8.500110.7R248 P249 A254 A255 Y280 H284 L285R248-Q251 HydrophobicContact CB-CB 4.16Å; R248-Q251 WeakPolarHBondContact O-CA 3.34Å; R248-Q251 VanDerWaalsContact O-CB 3.29Å; R248-Q251 WeakPolarHBondContact O-CB 3.34Å; R248-Q251 PolarHBondContact O-N 3.47Å; P249-Q251 VanDerWaalsContact C-N 3.32Å; P249-Q251 PolarHBondContact O-N 3.25Å; Q251-A254 PolarHBondContact O-N 3.3Å; Q251-A255 WeakPolarHBondContact O-CB 3.46Å; Q251-A255 PolarHBondContact O-N 3.07Å; Q251-Y280 HydrophobicContact CB-CE1 4.36Å; Q251-Y280 HydrophobicContact CB-CE2 4.15Å; Q251-Y280 HydrophobicContact CG-CE1 4.38Å; Q251-H284 PolarHBondContact NE2-O 3.41Å; Q251-L285 HydrophobicContact CG-CD2 3.88Å
252V98.4Very high97Very high2 Ų224.9 Ų24.91%0.01212%0.124CC..Hα-helixtrans-60.4-46174.1179.80000110.7P194 F244 F247 R248 P249 A254 A255 C256P194-V252 HydrophobicContact CB-CB 4.13Å; P194-V252 HydrophobicContact CB-CG1 4.05Å; P194-V252 HydrophobicContact CG-CB 3.86Å; P194-V252 HydrophobicContact CG-CG1 3.87Å; P194-V252 HydrophobicContact CG-CG2 4.48Å; F244-V252 HydrophobicContact CB-CG2 4.34Å; F244-V252 HydrophobicContact CD1-CG1 4.21Å; F244-V252 HydrophobicContact CD1-CG2 4.4Å; F247-V252 HydrophobicContact CB-CG2 3.7Å; R248-V252 PolarHBondContact O-N 3.43Å; P249-V252 PolarHBondContact O-N 3.1Å; V252-A254 PolarHBondContact O-N 3.24Å; V252-A255 WeakPolarHBondContact O-CB 3.44Å; V252-A255 PolarHBondContact O-N 3.48Å; V252-C256 PolarHBondContact O-N 2.96Å; V252-C256 PolarHBondContact O-SG 2.98Å
253A98.3Very high96.9Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-62.7-41.4177.700000112.7P194 F197 I198 Y201 P249 C256 V257P194-A253 HydrophobicContact CB-CB 4.31Å; F197-A253 HydrophobicContact CB-CB 3.68Å; I198-A253 HydrophobicContact CD1-CB 3.95Å; Y201-A253 HydrophobicContact CD2-CB 3.91Å; Y201-A253 HydrophobicContact CE2-CB 3.95Å; P249-A253 PolarHBondContact O-N 2.93Å; A253-C256 WeakPolarHBondContact O-CB 3.34Å; A253-C256 PolarHBondContact O-N 2.86Å; A253-V257 PolarHBondContact O-N 3.27Å
254A98.5Very high96.9Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-63.7-42.1174.400000111.7Y201 S250 Q251 V252 C256 V257 A258 W270 Y280 L285Y201-A254 HydrophobicContact CD2-CB 4.3Å; Y201-A254 HydrophobicContact CE2-CB 4.24Å; S250-A254 WeakPolarHBondContact O-CB 3.46Å; S250-A254 PolarHBondContact O-N 3.14Å; S250-A254 VanDerWaalsContact O-N 3.07Å; Q251-A254 PolarHBondContact O-N 3.3Å; V252-A254 PolarHBondContact O-N 3.24Å; A254-C256 VanDerWaalsContact C-N 3.29Å; A254-C256 PolarHBondContact O-N 3.09Å; A254-V257 PolarHBondContact O-N 3.43Å; A254-A258 PolarHBondContact O-N 3.48Å; A254-W270 HydrophobicContact CB-CH2 3.74Å; A254-W270 HydrophobicContact CB-CZ2 4.38Å; A254-W270 WeakPolarHBondContact O-CZ3 3.34Å; A254-Y280 HydrophobicContact CB-CD2 4.03Å; A254-L285 HydrophobicContact CB-CD1 4.26Å; A254-L285 HydrophobicContact CB-CD2 3.77Å
255A98.2Very high96.8Very high0 Ų029.1 Ų29.10%015%0.146CC..Hα-helixtrans-62.1-35.8174.500000111.9Q251 V252 V257 A258 A259 C288 I289 M292Q251-A255 WeakPolarHBondContact O-CB 3.46Å; Q251-A255 PolarHBondContact O-N 3.07Å; V252-A255 WeakPolarHBondContact O-CB 3.44Å; V252-A255 PolarHBondContact O-N 3.48Å; A255-V257 VanDerWaalsContact C-N 3.31Å; A255-V257 PolarHBondContact O-N 3.26Å; A255-A258 PolarHBondContact O-N 3.13Å; A255-A259 VanDerWaalsContact O-CB 3.24Å; A255-A259 WeakPolarHBondContact O-CB 3.43Å; A255-A259 PolarHBondContact O-N 3.04Å; A255-C288 HydrophobicContact CB-CB 3.88Å; A255-C288 VanDerWaalsContact CB-SG 3.53Å; A255-I289 HydrophobicContact CB-CG1 3.92Å; A255-M292 HydrophobicContact CB-CE 3.62Å; A255-M292 WeakPolarHBondContact O-CE 3.41Å
256C98.2Very high96.8Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-61.6-42.6177.4-67.90000110.9I198 T231 F234 V252 A253 A254 S260 M292I198-C256 HydrophobicContact CD1-CB 3.75Å; T231-C256 HydrophobicContact CG2-CB 4.18Å; F234-C256 HydrophobicContact CB-CB 3.94Å; V252-C256 PolarHBondContact O-N 2.96Å; V252-C256 PolarHBondContact O-SG 2.98Å; A253-C256 WeakPolarHBondContact O-CB 3.34Å; A253-C256 PolarHBondContact O-N 2.86Å; A254-C256 VanDerWaalsContact C-N 3.29Å; A254-C256 PolarHBondContact O-N 3.09Å; C256-S260 WeakPolarHBondContact O-CB 3.35Å; C256-S260 PolarHBondContact O-N 3.5Å; C256-S260 PolarHBondContact O-OG 3.25Å; C256-M292 VanDerWaalsContact CA-CE 3.41Å; C256-M292 HydrophobicContact CB-CE 4.24Å
257V98.3Very high96.8Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-64.9-46.7174.9172.90000110.9A205 M227 T231 A253 A254 A255 S260 R261 W270 L274A205-V257 HydrophobicContact CB-CG1 3.53Å; M227-V257 HydrophobicContact CE-CG1 4.12Å; T231-V257 HydrophobicContact CG2-CG2 3.8Å; A253-V257 PolarHBondContact O-N 3.27Å; A254-V257 PolarHBondContact O-N 3.43Å; A255-V257 VanDerWaalsContact C-N 3.31Å; A255-V257 PolarHBondContact O-N 3.26Å; V257-S260 WeakPolarHBondContact O-CB 3.41Å; V257-S260 PolarHBondContact O-N 3.38Å; V257-R261 PolarHBondContact O-N 3.08Å; V257-W270 HydrophobicContact CB-CZ3 4.49Å; V257-W270 HydrophobicContact CG1-CZ3 4.37Å; V257-L274 HydrophobicContact CG1-CD1 4.09Å; V257-L274 HydrophobicContact CG1-CD2 4.29Å
258A97.9Very high96.7Very high0 Ų024.5 Ų24.50%013%0.131CC..Hα-helixtrans-63-48.2-18000000112.2A254 A255 S260 R261 V262 W270 W282 I289A254-A258 PolarHBondContact O-N 3.48Å; A255-A258 PolarHBondContact O-N 3.13Å; A258-S260 VanDerWaalsContact C-N 3.28Å; A258-S260 PolarHBondContact O-N 3.34Å; A258-R261 PolarHBondContact O-N 2.68Å; A258-R261 VanDerWaalsContact O-N 3.13Å; A258-V262 WeakPolarHBondContact O-CG2 3.33Å; A258-V262 PolarHBondContact O-N 3.21Å; A258-W270 HydrophobicContact CB-CE3 3.7Å; A258-W270 HydrophobicContact CB-CZ3 3.89Å; A258-W282 HydrophobicContact CB-CZ3 4.31Å; A258-I289 HydrophobicContact CB-CD1 3.51Å; A258-I289 HydrophobicContact CB-CG1 4.01Å
259A97.1Very high96.5Very high0 Ų020.7 Ų20.70%012%0.122CC..Hα-helixtrans-60.2-39.2176.800000111.4F234 A255 R261 V262 C263 I289 M292 L293F234-A259 HydrophobicContact CD1-CB 4.26Å; F234-A259 HydrophobicContact CD2-CB 4.17Å; F234-A259 HydrophobicContact CE1-CB 3.83Å; F234-A259 HydrophobicContact CE2-CB 3.83Å; F234-A259 HydrophobicContact CG-CB 4.36Å; F234-A259 HydrophobicContact CZ-CB 3.61Å; A255-A259 VanDerWaalsContact O-CB 3.24Å; A255-A259 WeakPolarHBondContact O-CB 3.43Å; A255-A259 PolarHBondContact O-N 3.04Å; A259-R261 PolarHBondContact O-N 3.44Å; A259-V262 PolarHBondContact O-N 3.47Å; A259-C263 PolarHBondContact O-N 3.09Å; A259-C263 PolarHBondContact O-SG 3.19Å; A259-I289 HydrophobicContact CB-CG2 4.44Å; A259-M292 HydrophobicContact CB-CE 3.9Å; A259-L293 HydrophobicContact CB-CD2 4.06Å; A259-L293 HydrophobicContact CB-CG 4.43Å
260S97.1Very high96.5Very high0 Ų021.2 Ų21.20%012%0.122CC..Hα-helixtrans-60.5-44.7173.2-59.90000112.5Y230 T231 F234 C256 V257 A258 V262 C263 L264Y230-S260 VanDerWaalsContact C-OG 3.22Å; T231-S260 WeakPolarHBondContact CA-OG 3.45Å; T231-S260 PolarHBondContact N-OG 3.02Å; T231-S260 VanDerWaalsContact N-OG 3.08Å; T231-S260 PolarHBondContact OG1-OG 2.68Å; F234-S260 WeakPolarHBondContact CD2-OG 3.22Å; C256-S260 WeakPolarHBondContact O-CB 3.35Å; C256-S260 PolarHBondContact O-N 3.5Å; C256-S260 PolarHBondContact O-OG 3.25Å; V257-S260 WeakPolarHBondContact O-CB 3.41Å; V257-S260 PolarHBondContact O-N 3.38Å; A258-S260 VanDerWaalsContact C-N 3.28Å; A258-S260 PolarHBondContact O-N 3.34Å; S260-V262 VanDerWaalsContact C-N 3.34Å; S260-V262 PolarHBondContact O-N 2.92Å; S260-C263 PolarHBondContact O-N 2.85Å; S260-L264 VanDerWaalsContact O-CB 3.32Å; S260-L264 WeakPolarHBondContact O-CB 3.4Å; S260-L264 WeakPolarHBondContact O-CG 2.99Å; S260-L264 PolarHBondContact O-N 3.01Å
261R96.7Very high96.4Very high0 Ų021.5 Ų21.50%012%0.124CC..Hα-helixtrans-62.6-41.1175.9-70178.467.795.6-1.4111.5A205 D210 M227 V257 A258 A259 L264 Q265 I266 P268 S269 T271A205-R261 PolarHBondContact O-NH1 3.37Å; D210-R261 IonicContact OD1-CZ 2.75Å; D210-R261 IonicContact OD1-NH1 2.71Å; D210-R261 IonicContact OD1-NH2 2.75Å; D210-R261 PolarHBondContact OD1-NH2 3.41Å; D210-R261 IonicContact OD2-CZ 3.71Å; D210-R261 IonicContact OD2-NH1 2.73Å; D210-R261 PolarHBondContact OD2-NH1 2.94Å; D210-R261 IonicContact OD2-NH2 3.9Å; D210-R261 PolarHBondContact OD2-NH2 2.88Å; M227-R261 HydrophobicContact CE-CG 3.59Å; M227-R261 HydrophobicContact SD-CG 3.86Å; V257-R261 PolarHBondContact O-N 3.08Å; A258-R261 PolarHBondContact O-N 2.68Å; A258-R261 VanDerWaalsContact O-N 3.13Å; A259-R261 PolarHBondContact O-N 3.44Å; R261-L264 PolarHBondContact O-N 3.13Å; R261-Q265 PolarHBondContact O-N 3.47Å; R261-Q265 VanDerWaalsContact O-N 3.09Å; R261-I266 HydrophobicContact CB-CB 4.24Å; R261-I266 HydrophobicContact CG-CB 4.46Å; R261-I266 PolarHBondContact O-N 3.04Å; R261-P268 VanDerWaalsContact CZ-O 3.24Å; R261-P268 PolarHBondContact NE-O 3.11Å; R261-P268 PolarHBondContact NH2-O 3.29Å; R261-S269 WeakPolarHBondContact CD-O 3.39Å; R261-T271 VanDerWaalsContact NH2-CG2 3.29Å
262V95Very high96.3Very high48 Ų4825 Ų2529%0.29115%0.147SC..Hα-helixtrans-61.6-51.1175.8173.70000111.1A258 A259 S260 L264 Q265 W282 L293A258-V262 WeakPolarHBondContact O-CG2 3.33Å; A258-V262 PolarHBondContact O-N 3.21Å; A259-V262 PolarHBondContact O-N 3.47Å; S260-V262 VanDerWaalsContact C-N 3.34Å; S260-V262 PolarHBondContact O-N 2.92Å; V262-L264 VanDerWaalsContact C-N 3.3Å; V262-L264 PolarHBondContact O-N 2.92Å; V262-Q265 PolarHBondContact O-N 3.09Å; V262-W282 HydrophobicContact CG2-CH2 4.03Å; V262-L293 HydrophobicContact CG1-CD1 4.03Å
263C93.2Very high96.2Very high50 Ų5026.9 Ų26.934%0.33816%0.161SC..Hα-helixtrans-63.3-35.1179.9-73.70000113.2Y230 A259 S260 Q265 L293Y230-C263 HydrophobicContact CD1-CB 4.13Å; Y230-C263 HydrophobicContact CE1-CB 4.07Å; A259-C263 PolarHBondContact O-N 3.09Å; A259-C263 PolarHBondContact O-SG 3.19Å; S260-C263 PolarHBondContact O-N 2.85Å; C263-Q265 PolarHBondContact O-N 3.28Å; C263-L293 VanDerWaalsContact SG-CD2 3.57Å
264L93.1Very high96.1Very high26 Ų2626.9 Ų26.914%0.13616%0.161CC..THydrogen-bonded Turntrans-84.64.2176.6-67.5172.7000113.2Y212 F226 M227 Y230 S260 R261 V262 I266Y212-L264 WeakPolarHBondContact CD2-O 3.34Å; Y212-L264 WeakPolarHBondContact CE2-O 3.12Å; F226-L264 HydrophobicContact CB-CD1 3.93Å; F226-L264 HydrophobicContact CB-CD2 4.21Å; M227-L264 HydrophobicContact CG-CD1 4.04Å; M227-L264 HydrophobicContact SD-CD1 3.62Å; Y230-L264 HydrophobicContact CD1-CG 4.46Å; Y230-L264 HydrophobicContact CD2-CD1 4.13Å; Y230-L264 HydrophobicContact CD2-CD2 3.88Å; Y230-L264 HydrophobicContact CD2-CG 4.2Å; Y230-L264 HydrophobicContact CE1-CD2 4.41Å; Y230-L264 HydrophobicContact CE2-CD2 3.64Å; Y230-L264 HydrophobicContact CE2-CG 4.39Å; Y230-L264 HydrophobicContact CG-CD1 4.22Å; Y230-L264 HydrophobicContact CG-CD2 4.36Å; Y230-L264 HydrophobicContact CG-CG 4.23Å; S260-L264 VanDerWaalsContact O-CB 3.32Å; S260-L264 WeakPolarHBondContact O-CB 3.4Å; S260-L264 WeakPolarHBondContact O-CG 2.99Å; S260-L264 PolarHBondContact O-N 3.01Å; R261-L264 PolarHBondContact O-N 3.13Å; V262-L264 VanDerWaalsContact C-N 3.3Å; V262-L264 PolarHBondContact O-N 2.92Å; L264-I266 HydrophobicContact CB-CD1 3.89Å; L264-I266 HydrophobicContact CB-CG1 3.9Å; L264-I266 HydrophobicContact CD1-CD1 4.28Å; L264-I266 PolarHBondContact O-N 3.06Å
265Q94.3Very high96.1Very high102 Ų10230.7 Ų30.748%0.47718%0.179SC..THydrogen-bonded Turntrans55.336179.7-57171.5-25.400113Y212 N213 R261 V262 C263Y212-Q265 HydrophobicContact CE2-CB 4.4Å; N213-Q265 VanDerWaalsContact CG-OE1 3.24Å; N213-Q265 PolarHBondContact N-O 3.13Å; N213-Q265 PolarHBondContact ND2-OE1 3.18Å; N213-Q265 WeakPolarHBondContact OD1-CB 3.38Å; N213-Q265 VanDerWaalsContact OD1-CD 3.3Å; N213-Q265 PolarHBondContact OD1-OE1 2.89Å; R261-Q265 PolarHBondContact O-N 3.47Å; R261-Q265 VanDerWaalsContact O-N 3.09Å; V262-Q265 PolarHBondContact O-N 3.09Å; C263-Q265 PolarHBondContact O-N 3.28Å
266I95.6Very high96Very high4 Ų437.1 Ų37.12%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-89.6124.9175.9-56.4173.2000108.5D210 L211 T223 M227 R261 L264D210-I266 HydrophobicContact CB-CG2 3.93Å; L211-I266 CarbonylContact O-C 3.59Å; L211-I266 WeakPolarHBondContact O-CA 3.35Å; T223-I266 HydrophobicContact CG2-CD1 3.51Å; T223-I266 HydrophobicContact CG2-CG1 4.44Å; M227-I266 HydrophobicContact CG-CD1 3.95Å; M227-I266 HydrophobicContact SD-CD1 3.82Å; R261-I266 HydrophobicContact CB-CB 4.24Å; R261-I266 HydrophobicContact CG-CB 4.46Å; R261-I266 PolarHBondContact O-N 3.04Å; L264-I266 HydrophobicContact CB-CD1 3.89Å; L264-I266 HydrophobicContact CB-CG1 3.9Å; L264-I266 HydrophobicContact CD1-CD1 4.28Å; L264-I266 PolarHBondContact O-N 3.06Å
267S94Very high95.8Very high44 Ų4439.4 Ų39.431%0.30822%0.224SC..EExtended strand (participates in β ladder)trans-116.8142.117961.20000111.5L211L211-S267 WeakPolarHBondContact CB-OG 3.32Å; L211-S267 PolarHBondContact N-O 3.36Å; L211-S267 PolarHBondContact O-N 3.3Å; L211-S267 PolarHBondContact O-OG 2.91Å
268P95.8Very high95.8Very high70 Ų7039.5 Ų39.546%0.45523%0.225SC..SBendcis-72.2147.8-2.230.9-34.3000112.1R261 W270 T271R261-P268 VanDerWaalsContact CZ-O 3.24Å; R261-P268 PolarHBondContact NE-O 3.11Å; R261-P268 PolarHBondContact NH2-O 3.29Å; P268-W270 PolarHBondContact O-N 2.87Å; P268-W270 VanDerWaalsContact O-N 3.14Å; P268-T271 HydrophobicContact CG-CG2 4Å
269S93.3Very high95.7Very high40 Ų4042 Ų4228%0.2825%0.25SS..SBendtrans-63.2-23.5-177.4-53.70000113.3R261R261-S269 WeakPolarHBondContact CD-O 3.39Å
270W97.2Very high95.8Very high29 Ų2942.7 Ų42.711%0.1125%0.253CS..SBendtrans-138.4120.2171.2-164.3-114.6000110.1A254 V257 A258 P268 L274 T278 Y280 W282 L285A254-W270 HydrophobicContact CB-CH2 3.74Å; A254-W270 HydrophobicContact CB-CZ2 4.38Å; A254-W270 WeakPolarHBondContact O-CZ3 3.34Å; V257-W270 HydrophobicContact CB-CZ3 4.49Å; V257-W270 HydrophobicContact CG1-CZ3 4.37Å; A258-W270 HydrophobicContact CB-CE3 3.7Å; A258-W270 HydrophobicContact CB-CZ3 3.89Å; P268-W270 PolarHBondContact O-N 2.87Å; P268-W270 VanDerWaalsContact O-N 3.14Å; W270-L274 HydrophobicContact CD2-CB 4.05Å; W270-L274 HydrophobicContact CD2-CD1 4.39Å; W270-L274 HydrophobicContact CE3-CB 4.17Å; W270-L274 HydrophobicContact CE3-CD1 3.81Å; W270-L274 HydrophobicContact CH2-CB 3.87Å; W270-L274 HydrophobicContact CH2-CD1 4.37Å; W270-L274 HydrophobicContact CH2-CD2 4.37Å; W270-L274 HydrophobicContact CH2-CG 4.44Å; W270-L274 HydrophobicContact CZ2-CB 3.74Å; W270-L274 HydrophobicContact CZ3-CB 4.09Å; W270-L274 HydrophobicContact CZ3-CD1 3.81Å; W270-L274 HydrophobicContact CZ3-CD2 4.49Å; W270-L274 HydrophobicContact CZ3-CG 4.36Å; W270-T278 HydrophobicContact CH2-CG2 4.28Å; W270-T278 HydrophobicContact CZ2-CG2 4.23Å; W270-T278 WeakPolarHBondContact CZ2-OG1 3.42Å; W270-Y280 PolarHBondContact NE1-O 2.73Å; W270-W282 HydrophobicContact CB-CE3 3.67Å; W270-W282 HydrophobicContact CB-CZ3 4.18Å; W270-W282 HydrophobicContact CG-CE3 4.41Å; W270-L285 HydrophobicContact CD2-CD1 3.77Å; W270-L285 VanDerWaalsContact CE2-CD1 3.49Å; W270-L285 HydrophobicContact CE3-CD1 3.93Å; W270-L285 HydrophobicContact CH2-CD1 3.66Å; W270-L285 HydrophobicContact CZ2-CD1 3.45Å; W270-L285 VanDerWaalsContact CZ2-CD1 3.45Å; W270-L285 HydrophobicContact CZ3-CD1 3.88Å
271T96.5Very high95.8Very high5 Ų544 Ų443%0.03126%0.262CS..  trans-90.1157.3-173.8660000111.3Q207 R261 P268 S273 L274 H275Q207-T271 HydrophobicContact CG-CG2 4.45Å; R261-T271 VanDerWaalsContact NH2-CG2 3.29Å; P268-T271 HydrophobicContact CG-CG2 4Å; T271-S273 PolarHBondContact O-N 3.45Å; T271-L274 PolarHBondContact O-N 3.28Å; T271-L274 VanDerWaalsContact O-N 3.16Å; T271-L274 WeakPolarHBondContact OG1-CG 3.35Å; T271-L274 PolarHBondContact OG1-N 2.93Å; T271-L274 VanDerWaalsContact OG1-N 3.12Å; T271-H275 PolarHBondContact O-N 2.8Å
272T95.7Very high95.8Very high104 Ų10449.1 Ų49.164%0.63828%0.281SS*.Hα-helixtrans-56.4-36.4171.3-51.20000111.6H275 L276T272-H275 WeakPolarHBondContact O-CB 3.27Å; T272-H275 PolarHBondContact O-N 2.94Å; T272-L276 HydrophobicContact CG2-CD1 4.15Å; T272-L276 HydrophobicContact CG2-CG 4.39Å; T272-L276 WeakPolarHBondContact O-CG 3.28Å; T272-L276 PolarHBondContact O-N 3.26Å
273S96Very high95.8Very high43 Ų4354.4 Ų54.430%0.30130%0.303SS..Hα-helixtrans-66-40.6178.7-54.20000112.4Q207 T271 L276 L277Q207-S273 VanDerWaalsContact CD-OG 3.23Å; Q207-S273 PolarHBondContact NE2-OG 3.45Å; Q207-S273 PolarHBondContact OE1-OG 3.46Å; T271-S273 PolarHBondContact O-N 3.45Å; S273-L276 PolarHBondContact O-N 3.12Å; S273-L277 VanDerWaalsContact O-CB 3.27Å; S273-L277 WeakPolarHBondContact O-CB 3.32Å; S273-L277 PolarHBondContact O-N 3.26Å
274L97.1Very high95.9Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-67.6-38.5173.4-74.3168000111.6A204 V257 W270 T271 L277 T278A204-L274 HydrophobicContact CB-CD2 4.11Å; V257-L274 HydrophobicContact CG1-CD1 4.09Å; V257-L274 HydrophobicContact CG1-CD2 4.29Å; W270-L274 HydrophobicContact CD2-CB 4.05Å; W270-L274 HydrophobicContact CD2-CD1 4.39Å; W270-L274 HydrophobicContact CE3-CB 4.17Å; W270-L274 HydrophobicContact CE3-CD1 3.81Å; W270-L274 HydrophobicContact CH2-CB 3.87Å; W270-L274 HydrophobicContact CH2-CD1 4.37Å; W270-L274 HydrophobicContact CH2-CD2 4.37Å; W270-L274 HydrophobicContact CH2-CG 4.44Å; W270-L274 HydrophobicContact CZ2-CB 3.74Å; W270-L274 HydrophobicContact CZ3-CB 4.09Å; W270-L274 HydrophobicContact CZ3-CD1 3.81Å; W270-L274 HydrophobicContact CZ3-CD2 4.49Å; W270-L274 HydrophobicContact CZ3-CG 4.36Å; T271-L274 PolarHBondContact O-N 3.28Å; T271-L274 VanDerWaalsContact O-N 3.16Å; T271-L274 WeakPolarHBondContact OG1-CG 3.35Å; T271-L274 PolarHBondContact OG1-N 2.93Å; T271-L274 VanDerWaalsContact OG1-N 3.12Å; L274-L277 PolarHBondContact O-N 2.66Å; L274-T278 WeakPolarHBondContact O-CB 3.49Å; L274-T278 VanDerWaalsContact O-CG2 3.3Å; L274-T278 WeakPolarHBondContact O-CG2 3.32Å; L274-T278 PolarHBondContact O-N 2.68Å; L274-T278 PolarHBondContact O-OG1 3.25Å
275H97.4Very high96.1Very high79 Ų7956 Ų5637%0.36631%0.305SS..Hα-helixtrans-59.6-48173177.465.7000111.8T271 T272 G279 Y280T271-H275 PolarHBondContact O-N 2.8Å; T272-H275 WeakPolarHBondContact O-CB 3.27Å; T272-H275 PolarHBondContact O-N 2.94Å; H275-G279 WeakPolarHBondContact O-CA 3.21Å; H275-G279 PolarHBondContact O-N 3.16Å; H275-Y280 PolarHBondContact ND1-O 2.63Å
276L96.3Very high96.2Very high136 Ų13652.7 Ų52.771%0.71229%0.291SS*.Hα-helixtrans-66.3-39.2178.8-70172.9000112.6T272 S273T272-L276 HydrophobicContact CG2-CD1 4.15Å; T272-L276 HydrophobicContact CG2-CG 4.39Å; T272-L276 WeakPolarHBondContact O-CG 3.28Å; T272-L276 PolarHBondContact O-N 3.26Å; S273-L276 PolarHBondContact O-N 3.12Å
277L95.4Very high96.3Very high48 Ų4855.8 Ų55.825%0.25131%0.311SS..Hα-helixtrans-68.2-40.5179.9-174.570.5000112.5Y200 Y201 A204 S273 L274Y200-L277 HydrophobicContact CD1-CD2 4.46Å; Y200-L277 HydrophobicContact CD1-CG 4.49Å; Y200-L277 HydrophobicContact CE1-CD1 3.58Å; Y200-L277 HydrophobicContact CE1-CD2 4.24Å; Y200-L277 HydrophobicContact CE1-CG 3.86Å; Y200-L277 WeakPolarHBondContact OH-CD1 3.37Å; Y201-L277 HydrophobicContact CD1-CD2 4.1Å; A204-L277 HydrophobicContact CB-CD2 3.64Å; S273-L277 VanDerWaalsContact O-CB 3.27Å; S273-L277 WeakPolarHBondContact O-CB 3.32Å; S273-L277 PolarHBondContact O-N 3.26Å; L274-L277 PolarHBondContact O-N 2.66Å
278T96.8Very high96.4Very high2 Ų253.7 Ų53.71%0.01230%0.297CS..Hα-helixtrans-100.5-24.9-171.466.60000113.5R21 Y201 W270 L274 Y280R21-T278 PolarHBondContact NH1-O 3.46Å; Y201-T278 HydrophobicContact CD1-CG2 3.68Å; Y201-T278 HydrophobicContact CD2-CG2 4.28Å; Y201-T278 HydrophobicContact CE1-CG2 3.61Å; Y201-T278 HydrophobicContact CE2-CG2 4.21Å; Y201-T278 HydrophobicContact CG-CG2 4.03Å; W270-T278 HydrophobicContact CH2-CG2 4.28Å; W270-T278 HydrophobicContact CZ2-CG2 4.23Å; W270-T278 WeakPolarHBondContact CZ2-OG1 3.42Å; L274-T278 WeakPolarHBondContact O-CB 3.49Å; L274-T278 VanDerWaalsContact O-CG2 3.3Å; L274-T278 WeakPolarHBondContact O-CG2 3.32Å; L274-T278 PolarHBondContact O-N 2.68Å; L274-T278 PolarHBondContact O-OG1 3.25Å; T278-Y280 PolarHBondContact O-N 3Å; T278-Y280 PolarHBondContact OG1-N 3.27Å; T278-Y280 VanDerWaalsContact OG1-N 3.12Å
279G96.9Very high96.5Very high51 Ų5150.6 Ų50.653%0.52628%0.277SS..  trans74.33.5-168.700000114.5H275H275-G279 WeakPolarHBondContact O-CA 3.21Å; H275-G279 PolarHBondContact O-N 3.16Å
280Y98.1Very high96.5Very high16 Ų1654.6 Ų54.66%0.06329%0.291CS..  trans-92.6132.4178.6-67.4-59.7000111.4R21 S250 Q251 A254 W270 H275 T278 H284 L285R21-Y280 PolarHBondContact NH2-OH 2.74Å; S250-Y280 PolarHBondContact OG-OH 3.39Å; Q251-Y280 HydrophobicContact CB-CE1 4.36Å; Q251-Y280 HydrophobicContact CB-CE2 4.15Å; Q251-Y280 HydrophobicContact CG-CE1 4.38Å; A254-Y280 HydrophobicContact CB-CD2 4.03Å; W270-Y280 PolarHBondContact NE1-O 2.73Å; H275-Y280 PolarHBondContact ND1-O 2.63Å; T278-Y280 PolarHBondContact O-N 3Å; T278-Y280 PolarHBondContact OG1-N 3.27Å; T278-Y280 VanDerWaalsContact OG1-N 3.12Å; Y280-H284 HydrophobicContact CD1-CB 4.17Å; Y280-L285 HydrophobicContact CD2-CD2 4.23Å; Y280-L285 HydrophobicContact CG-CD2 3.99Å
281S97.4Very high96.4Very high27 Ų2755.3 Ų55.319%0.18930%0.296CS..  trans-85.9167166.673.40000110.4E283 H284 L285S281-E283 VanDerWaalsContact C-N 3.3Å; S281-E283 PolarHBondContact O-N 3.05Å; S281-H284 PolarHBondContact N-ND1 3.4Å; S281-H284 PolarHBondContact O-N 3.23Å; S281-H284 PolarHBondContact OG-CE1 2.9Å; S281-H284 PolarHBondContact OG-ND1 3.06Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 3.28Å
282W96.1Very high96.2Very high107 Ų10755 Ų5541%0.40530%0.295SS..Hα-helixtrans-54.4-47175.1-179.4-104.3000112.1A258 V262 W270 H284 L285 T286 I289A258-W282 HydrophobicContact CB-CZ3 4.31Å; V262-W282 HydrophobicContact CG2-CH2 4.03Å; W270-W282 HydrophobicContact CB-CE3 3.67Å; W270-W282 HydrophobicContact CB-CZ3 4.18Å; W270-W282 HydrophobicContact CG-CE3 4.41Å; W282-H284 VanDerWaalsContact C-N 3.29Å; W282-H284 PolarHBondContact O-N 2.86Å; W282-L285 CarbonylContact O-C 3.51Å; W282-L285 WeakPolarHBondContact O-CA 3.26Å; W282-L285 PolarHBondContact O-N 2.91Å; W282-T286 PolarHBondContact NE1-OG1 2.87Å; W282-T286 PolarHBondContact O-N 3.33Å; W282-T286 PolarHBondContact O-OG1 3.26Å; W282-I289 HydrophobicContact CE3-CD1 4.09Å; W282-I289 HydrophobicContact CH2-CD1 3.94Å; W282-I289 HydrophobicContact CZ3-CD1 3.68Å
283E96.4Very high95.9Very high160 Ų16052 Ų5275%0.74828%0.275SS*.Hα-helixtrans-58-38.1-179.3-61.8174.7-178.900113S281 L285S281-E283 VanDerWaalsContact C-N 3.3Å; S281-E283 PolarHBondContact O-N 3.05Å; E283-L285 VanDerWaalsContact C-N 3.26Å; E283-L285 PolarHBondContact O-N 3.2Å
284H95.4Very high95.5Very high110 Ų11054.6 Ų54.651%0.50929%0.285SS..Hα-helixtrans-66.6-29.9175.1-66.3110.8000112.3Q251 Y280 S281 W282Q251-H284 PolarHBondContact NE2-O 3.41Å; Y280-H284 HydrophobicContact CD1-CB 4.17Å; S281-H284 PolarHBondContact N-ND1 3.4Å; S281-H284 PolarHBondContact O-N 3.23Å; S281-H284 PolarHBondContact OG-CE1 2.9Å; S281-H284 PolarHBondContact OG-ND1 3.06Å; W282-H284 VanDerWaalsContact C-N 3.29Å; W282-H284 PolarHBondContact O-N 2.86Å
285L97.3Very high94.8Very high0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-90.7-27.4-176.3-61.7176.5000112.9Q251 A254 W270 Y280 S281 W282 E283 P287 C288 I289Q251-L285 HydrophobicContact CG-CD2 3.88Å; A254-L285 HydrophobicContact CB-CD1 4.26Å; A254-L285 HydrophobicContact CB-CD2 3.77Å; W270-L285 HydrophobicContact CD2-CD1 3.77Å; W270-L285 VanDerWaalsContact CE2-CD1 3.49Å; W270-L285 HydrophobicContact CE3-CD1 3.93Å; W270-L285 HydrophobicContact CH2-CD1 3.66Å; W270-L285 HydrophobicContact CZ2-CD1 3.45Å; W270-L285 VanDerWaalsContact CZ2-CD1 3.45Å; W270-L285 HydrophobicContact CZ3-CD1 3.88Å; Y280-L285 HydrophobicContact CD2-CD2 4.23Å; Y280-L285 HydrophobicContact CG-CD2 3.99Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 3.28Å; W282-L285 CarbonylContact O-C 3.51Å; W282-L285 WeakPolarHBondContact O-CA 3.26Å; W282-L285 PolarHBondContact O-N 2.91Å; E283-L285 VanDerWaalsContact C-N 3.26Å; E283-L285 PolarHBondContact O-N 3.2Å; L285-P287 VanDerWaalsContact C-CD 3.46Å; L285-C288 PolarHBondContact O-N 3.5Å; L285-I289 HydrophobicContact CB-CD1 3.57Å; L285-I289 HydrophobicContact CB-CG1 4.14Å; L285-I289 WeakPolarHBondContact O-CG1 3.18Å; L285-I289 PolarHBondContact O-N 2.82Å
286T96.2Very high93.9Very high32 Ų3253.8 Ų53.820%0.19628%0.282CS..Hα-helixtrans-45.5-49.9-174.1-570000113.5W282 C288 I289 E290W282-T286 PolarHBondContact NE1-OG1 2.87Å; W282-T286 PolarHBondContact O-N 3.33Å; W282-T286 PolarHBondContact O-OG1 3.26Å; T286-C288 VanDerWaalsContact C-N 3.3Å; T286-C288 PolarHBondContact O-N 3.36Å; T286-I289 PolarHBondContact O-N 2.84Å; T286-I289 VanDerWaalsContact O-N 3.15Å; T286-E290 HydrophobicContact CG2-CG 4.12Å; T286-E290 WeakPolarHBondContact CG2-OE1 3.42Å; T286-E290 WeakPolarHBondContact O-CB 3.41Å; T286-E290 WeakPolarHBondContact O-CG 3.45Å; T286-E290 PolarHBondContact O-N 2.81Å
287P97.1Very high93.1Very high68 Ų6850.4 Ų50.444%0.44227%0.267SS..Hα-helixtrans-62.5-36.4-178.1-21.633.6000113.5F247 L285 L291F247-P287 HydrophobicContact CE1-CB 4.11Å; F247-P287 HydrophobicContact CZ-CB 4.23Å; L285-P287 VanDerWaalsContact C-CD 3.46Å; P287-L291 WeakPolarHBondContact O-CB 3.28Å; P287-L291 PolarHBondContact O-N 3.49Å
288C97.1Very high92.1Very high0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-76.3-34.6178.4-171.40000111.6F247 A255 L285 T286 M292F247-C288 HydrophobicContact CD1-CB 3.94Å; F247-C288 HydrophobicContact CD2-CB 4.25Å; F247-C288 HydrophobicContact CE1-CB 3.87Å; F247-C288 HydrophobicContact CE2-CB 4.19Å; F247-C288 HydrophobicContact CG-CB 4.12Å; F247-C288 HydrophobicContact CZ-CB 3.99Å; A255-C288 HydrophobicContact CB-CB 3.88Å; A255-C288 VanDerWaalsContact CB-SG 3.53Å; L285-C288 PolarHBondContact O-N 3.5Å; T286-C288 VanDerWaalsContact C-N 3.3Å; T286-C288 PolarHBondContact O-N 3.36Å; C288-M292 VanDerWaalsContact O-CB 3.27Å; C288-M292 WeakPolarHBondContact O-CB 3.2Å; C288-M292 PolarHBondContact O-N 2.87Å; C288-M292 VanDerWaalsContact O-N 3.15Å
289I96.1Very high90.9Very high6 Ų654.8 Ų54.83%0.03129%0.293CS..Hα-helixtrans-67.2-47.3176.4-65.5166.3000110.1A255 A258 A259 W282 L285 T286 L291 M292 L293A255-I289 HydrophobicContact CB-CG1 3.92Å; A258-I289 HydrophobicContact CB-CD1 3.51Å; A258-I289 HydrophobicContact CB-CG1 4.01Å; A259-I289 HydrophobicContact CB-CG2 4.44Å; W282-I289 HydrophobicContact CE3-CD1 4.09Å; W282-I289 HydrophobicContact CH2-CD1 3.94Å; W282-I289 HydrophobicContact CZ3-CD1 3.68Å; L285-I289 HydrophobicContact CB-CD1 3.57Å; L285-I289 HydrophobicContact CB-CG1 4.14Å; L285-I289 WeakPolarHBondContact O-CG1 3.18Å; L285-I289 PolarHBondContact O-N 2.82Å; T286-I289 PolarHBondContact O-N 2.84Å; T286-I289 VanDerWaalsContact O-N 3.15Å; I289-L291 PolarHBondContact O-N 3.15Å; I289-M292 PolarHBondContact O-N 3.21Å; I289-M292 VanDerWaalsContact O-N 3.14Å; I289-L293 HydrophobicContact CG2-CD1 3.83Å; I289-L293 HydrophobicContact CG2-CG 4.24Å; I289-L293 WeakPolarHBondContact O-CG 3.36Å; I289-L293 PolarHBondContact O-N 2.94Å
290E94.3Very high89.6Confident124 Ų12457.6 Ų57.658%0.57930%0.295SS*.Hα-helixtrans-60.2-46.8179.2-73.8176.2169.600111.4T286 M292 L293 L294T286-E290 HydrophobicContact CG2-CG 4.12Å; T286-E290 WeakPolarHBondContact CG2-OE1 3.42Å; T286-E290 WeakPolarHBondContact O-CB 3.41Å; T286-E290 WeakPolarHBondContact O-CG 3.45Å; T286-E290 PolarHBondContact O-N 2.81Å; E290-M292 PolarHBondContact O-N 3.23Å; E290-L293 PolarHBondContact O-N 3.1Å; E290-L294 VanDerWaalsContact O-CB 3.25Å; E290-L294 WeakPolarHBondContact O-CB 3.36Å; E290-L294 PolarHBondContact O-N 3.38Å
291L94.1Very high88.1Confident43 Ų4361.7 Ų61.723%0.22532%0.318CS..Hα-helixtrans-55.9-42.5174.6-179.963000111.6A243 F244 F247 P287 I289 I295A243-L291 HydrophobicContact CB-CD2 3.85Å; F244-L291 HydrophobicContact CD1-CD2 4.17Å; F244-L291 HydrophobicContact CE1-CD2 3.94Å; F244-L291 HydrophobicContact CE1-CG 4.17Å; F244-L291 HydrophobicContact CE2-CD2 4.39Å; F244-L291 HydrophobicContact CE2-CG 4.47Å; F244-L291 HydrophobicContact CG-CD2 4.5Å; F244-L291 HydrophobicContact CZ-CD2 4.05Å; F244-L291 HydrophobicContact CZ-CG 3.96Å; F247-L291 HydrophobicContact CE2-CD2 3.86Å; P287-L291 WeakPolarHBondContact O-CB 3.28Å; P287-L291 PolarHBondContact O-N 3.49Å; I289-L291 PolarHBondContact O-N 3.15Å; L291-I295 HydrophobicContact CG-CD1 4.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.34Å; L291-I295 PolarHBondContact O-N 2.81Å
292M92.8Very high86.5Confident0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-72-38.4-177.1-167.9143.159.700113.7F234 F244 A255 C256 A259 C288 I289 E290 I296F234-M292 HydrophobicContact CB-SD 3.96Å; F234-M292 HydrophobicContact CD1-CE 4.42Å; F234-M292 HydrophobicContact CD1-CG 3.24Å; F234-M292 HydrophobicContact CD1-SD 3.76Å; F234-M292 HydrophobicContact CE1-CG 3.58Å; F234-M292 HydrophobicContact CG-CG 4.23Å; F234-M292 HydrophobicContact CG-SD 4.23Å; F244-M292 HydrophobicContact CE1-CB 3.99Å; F244-M292 HydrophobicContact CE1-CG 4.41Å; F244-M292 HydrophobicContact CE1-SD 4.1Å; F244-M292 HydrophobicContact CZ-CB 3.88Å; F244-M292 HydrophobicContact CZ-CG 4.16Å; F244-M292 HydrophobicContact CZ-SD 4.23Å; A255-M292 HydrophobicContact CB-CE 3.62Å; A255-M292 WeakPolarHBondContact O-CE 3.41Å; C256-M292 VanDerWaalsContact CA-CE 3.41Å; C256-M292 HydrophobicContact CB-CE 4.24Å; A259-M292 HydrophobicContact CB-CE 3.9Å; C288-M292 VanDerWaalsContact O-CB 3.27Å; C288-M292 WeakPolarHBondContact O-CB 3.2Å; C288-M292 PolarHBondContact O-N 2.87Å; C288-M292 VanDerWaalsContact O-N 3.15Å; I289-M292 PolarHBondContact O-N 3.21Å; I289-M292 VanDerWaalsContact O-N 3.14Å; E290-M292 PolarHBondContact O-N 3.23Å; M292-I296 PolarHBondContact O-N 3.16Å
293L89.9Confident84.8Confident41 Ų4164.6 Ų64.622%0.21534%0.34CS..Hα-helixtrans-72.5-36.9174.8-66.3178.6000111.9F234 A259 V262 C263 I289 E290 I295 I296 V297F234-L293 HydrophobicContact CE1-CD2 4.17Å; F234-L293 HydrophobicContact CZ-CD2 3.83Å; A259-L293 HydrophobicContact CB-CD2 4.06Å; A259-L293 HydrophobicContact CB-CG 4.43Å; V262-L293 HydrophobicContact CG1-CD1 4.03Å; C263-L293 VanDerWaalsContact SG-CD2 3.57Å; I289-L293 HydrophobicContact CG2-CD1 3.83Å; I289-L293 HydrophobicContact CG2-CG 4.24Å; I289-L293 WeakPolarHBondContact O-CG 3.36Å; I289-L293 PolarHBondContact O-N 2.94Å; E290-L293 PolarHBondContact O-N 3.1Å; L293-I295 VanDerWaalsContact C-N 3.29Å; L293-I295 PolarHBondContact O-N 3.47Å; L293-I296 PolarHBondContact O-N 3.39Å; L293-I296 VanDerWaalsContact O-N 3.15Å; L293-V297 WeakPolarHBondContact O-CG2 2.93Å; L293-V297 PolarHBondContact O-N 2.94Å
294L88.2Confident83Confident97 Ų9760.2 Ų60.251%0.50833%0.325SS..Hα-helixtrans-58.3-42.8175.6-179.964.6000111.4E290 I296 V297 N298E290-L294 VanDerWaalsContact O-CB 3.25Å; E290-L294 WeakPolarHBondContact O-CB 3.36Å; E290-L294 PolarHBondContact O-N 3.38Å; L294-I296 VanDerWaalsContact C-N 3.34Å; L294-I296 PolarHBondContact O-N 3.42Å; L294-V297 PolarHBondContact O-N 2.86Å; L294-N298 VanDerWaalsContact O-CG 3.29Å; L294-N298 PolarHBondContact O-N 3.2Å; L294-N298 PolarHBondContact O-ND2 3.31Å
295I81.3Confident81.4Confident25 Ų2558 Ų5813%0.12833%0.326CS..Hα-helixtrans-61.1-43176.8-68.8165.3000111V237 D241 F244 L291 L293 N298 V299V237-I295 HydrophobicContact CG1-CB 4.27Å; V237-I295 HydrophobicContact CG1-CG2 3.62Å; D241-I295 HydrophobicContact CB-CD1 4.1Å; F244-I295 HydrophobicContact CE2-CD1 3.45Å; F244-I295 VanDerWaalsContact CE2-CD1 3.45Å; F244-I295 HydrophobicContact CZ-CD1 3.8Å; L291-I295 HydrophobicContact CG-CD1 4.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.34Å; L291-I295 PolarHBondContact O-N 2.81Å; L293-I295 VanDerWaalsContact C-N 3.29Å; L293-I295 PolarHBondContact O-N 3.47Å; I295-N298 PolarHBondContact O-N 3Å; I295-V299 HydrophobicContact CG2-CG2 4.27Å; I295-V299 WeakPolarHBondContact O-CB 3.42Å; I295-V299 VanDerWaalsContact O-CG2 3.24Å; I295-V299 WeakPolarHBondContact O-CG2 3.39Å; I295-V299 PolarHBondContact O-N 2.77Å
296I79.4Confident79.5Confident36 Ų3661.6 Ų61.619%0.18536%0.355CS..Hα-helixtrans-62.6-45.7177.1-71.9-170.9000111.8Y233 F234 M292 L293 L294 N298 V299 L300Y233-I296 HydrophobicContact CD1-CD1 4.38Å; Y233-I296 HydrophobicContact CE1-CD1 3.65Å; Y233-I296 HydrophobicContact CE1-CG1 4.12Å; F234-I296 HydrophobicContact CD1-CD1 3.83Å; F234-I296 HydrophobicContact CE1-CD1 3Å; F234-I296 HydrophobicContact CE1-CG1 3.87Å; F234-I296 HydrophobicContact CE2-CD1 4.15Å; F234-I296 HydrophobicContact CZ-CD1 3.19Å; F234-I296 HydrophobicContact CZ-CG1 4.43Å; M292-I296 PolarHBondContact O-N 3.16Å; L293-I296 PolarHBondContact O-N 3.39Å; L293-I296 VanDerWaalsContact O-N 3.15Å; L294-I296 VanDerWaalsContact C-N 3.34Å; L294-I296 PolarHBondContact O-N 3.42Å; I296-N298 VanDerWaalsContact C-N 3.27Å; I296-N298 PolarHBondContact O-N 3.16Å; I296-V299 PolarHBondContact O-N 3.46Å; I296-L300 WeakPolarHBondContact O-CB 3.48Å; I296-L300 PolarHBondContact O-N 3.1Å
297V78.9Confident77.2Confident66 Ų6665.9 Ų65.940%0.438%0.377SS..Hα-helixtrans-59.4-44179.8173.40000110L293 L294 L300 L301L293-V297 WeakPolarHBondContact O-CG2 2.93Å; L293-V297 PolarHBondContact O-N 2.94Å; L294-V297 PolarHBondContact O-N 2.86Å; V297-L300 PolarHBondContact O-N 3.29Å; V297-L301 HydrophobicContact CG1-CD1 3.96Å; V297-L301 WeakPolarHBondContact O-CB 3.19Å; V297-L301 WeakPolarHBondContact O-CG 3.45Å; V297-L301 PolarHBondContact O-N 2.77Å
298N74.8Confident74.5Confident76 Ų7670.9 Ų70.941%0.40639%0.392SS..Hα-helixtrans-63.9-42.9176.3-69.9-22000112.5L294 I295 I296 L301 I302L294-N298 VanDerWaalsContact O-CG 3.29Å; L294-N298 PolarHBondContact O-N 3.2Å; L294-N298 PolarHBondContact O-ND2 3.31Å; I295-N298 PolarHBondContact O-N 3Å; I296-N298 VanDerWaalsContact C-N 3.27Å; I296-N298 PolarHBondContact O-N 3.16Å; N298-L301 PolarHBondContact O-N 2.88Å; N298-I302 WeakPolarHBondContact O-CD1 3.32Å; N298-I302 VanDerWaalsContact O-CG1 3.26Å; N298-I302 WeakPolarHBondContact O-CG1 3.49Å; N298-I302 PolarHBondContact O-N 3.16Å
299V71.6Confident71.7Confident65 Ų6575.7 Ų75.739%0.39442%0.423SS..Hα-helixtrans-62.5-44.1176.5169.40000110.8I295 I296 I302 V303I295-V299 HydrophobicContact CG2-CG2 4.27Å; I295-V299 WeakPolarHBondContact O-CB 3.42Å; I295-V299 VanDerWaalsContact O-CG2 3.24Å; I295-V299 WeakPolarHBondContact O-CG2 3.39Å; I295-V299 PolarHBondContact O-N 2.77Å; I296-V299 PolarHBondContact O-N 3.46Å; V299-I302 PolarHBondContact O-N 3.3Å; V299-V303 WeakPolarHBondContact O-CG2 3.38Å; V299-V303 PolarHBondContact O-N 2.98Å
300L68.7Low68.9Low110 Ų11080.8 Ų80.858%0.57646%0.457SS*.Hα-helixtrans-63.6-44.4178.2-173.467.2000111.2I296 V297 I302 V303 T304I296-L300 WeakPolarHBondContact O-CB 3.48Å; I296-L300 PolarHBondContact O-N 3.1Å; V297-L300 PolarHBondContact O-N 3.29Å; L300-I302 VanDerWaalsContact C-N 3.33Å; L300-I302 PolarHBondContact O-N 2.87Å; L300-V303 PolarHBondContact O-N 3.18Å; L300-T304 WeakPolarHBondContact O-CG2 3.33Å; L300-T304 PolarHBondContact O-N 2.86Å; L300-T304 PolarHBondContact O-OG1 3.07Å; L300-T304 VanDerWaalsContact O-OG1 3.12Å
301L66.6Low66Low102 Ų10283.4 Ų83.453%0.53447%0.474SS..Hα-helixtrans-56.6-46.3174.7-81.3162.6000111.7V297 N298 V303 T304 A305V297-L301 HydrophobicContact CG1-CD1 3.96Å; V297-L301 WeakPolarHBondContact O-CB 3.19Å; V297-L301 WeakPolarHBondContact O-CG 3.45Å; V297-L301 PolarHBondContact O-N 2.77Å; N298-L301 PolarHBondContact O-N 2.88Å; L301-V303 PolarHBondContact O-N 3.03Å; L301-T304 WeakPolarHBondContact CA-OG1 3.18Å; L301-T304 PolarHBondContact O-N 2.79Å; L301-T304 PolarHBondContact O-OG1 2.79Å; L301-A305 WeakPolarHBondContact O-CB 3.41Å; L301-A305 PolarHBondContact O-N 3.15Å
302I64.8Low63.1Low118 Ų11888 Ų8861%0.60550%0.504SS*.Hα-helixtrans-61.5-45.2177.9-69163.7000111.3N298 V299 L300 A305 A306N298-I302 WeakPolarHBondContact O-CD1 3.32Å; N298-I302 VanDerWaalsContact O-CG1 3.26Å; N298-I302 WeakPolarHBondContact O-CG1 3.49Å; N298-I302 PolarHBondContact O-N 3.16Å; V299-I302 PolarHBondContact O-N 3.3Å; L300-I302 VanDerWaalsContact C-N 3.33Å; L300-I302 PolarHBondContact O-N 2.87Å; I302-A305 PolarHBondContact O-N 3.37Å; I302-A306 WeakPolarHBondContact O-CB 3.48Å; I302-A306 PolarHBondContact O-N 3.01Å
303V60.1Low60.2Low77 Ų7791.1 Ų91.147%0.46754%0.536SS..Hα-helixtrans-61.8-47177.8172.70000110.3V299 L300 L301 A305 A306 D307V299-V303 WeakPolarHBondContact O-CG2 3.38Å; V299-V303 PolarHBondContact O-N 2.98Å; L300-V303 PolarHBondContact O-N 3.18Å; L301-V303 PolarHBondContact O-N 3.03Å; V303-A305 VanDerWaalsContact C-N 3.29Å; V303-A305 PolarHBondContact O-N 2.74Å; V303-A306 PolarHBondContact O-N 3.01Å; V303-D307 PolarHBondContact O-N 3.29Å
304T58.8Low57.4Low68 Ų6897 Ų9742%0.41757%0.566SS.*Hα-helixtrans-64.7-31.617856.50000113.2L300 L301 F308L300-T304 WeakPolarHBondContact O-CG2 3.33Å; L300-T304 PolarHBondContact O-N 2.86Å; L300-T304 PolarHBondContact O-OG1 3.07Å; L300-T304 VanDerWaalsContact O-OG1 3.12Å; L301-T304 WeakPolarHBondContact CA-OG1 3.18Å; L301-T304 PolarHBondContact O-N 2.79Å; L301-T304 PolarHBondContact O-OG1 2.79Å; T304-F308 WeakPolarHBondContact O-CD2 3.49Å
305A60.6Low54.3Low64 Ų6497.8 Ų97.853%0.52958%0.579SS.*Hα-helixtrans-75.6-32.2175.700000112.5L301 I302 V303 D307 F308L301-A305 WeakPolarHBondContact O-CB 3.41Å; L301-A305 PolarHBondContact O-N 3.15Å; I302-A305 PolarHBondContact O-N 3.37Å; V303-A305 VanDerWaalsContact C-N 3.29Å; V303-A305 PolarHBondContact O-N 2.74Å; A305-D307 VanDerWaalsContact C-N 3.3Å; A305-D307 PolarHBondContact O-N 2.88Å; A305-F308 CarbonylContact O-C 3.6Å; A305-F308 PolarHBondContact O-N 3.25Å
306A57.9Low51.7Low76 Ų76105.4 Ų105.463%0.62861%0.613SS**Hα-helixtrans-69.7-27.7176.700000112.7I302 V303 F308I302-A306 WeakPolarHBondContact O-CB 3.48Å; I302-A306 PolarHBondContact O-N 3.01Å; V303-A306 PolarHBondContact O-N 3.01Å; A306-F308 VanDerWaalsContact C-N 3.28Å; A306-F308 PolarHBondContact O-N 2.97Å
307D48.2Very low49.6Very low122 Ų122109 Ų10965%0.65264%0.639SS**THydrogen-bonded Turntrans-78.1-7.7175.3-73.2-28.2000113.6V303 A305V303-D307 PolarHBondContact O-N 3.29Å; A305-D307 VanDerWaalsContact C-N 3.3Å; A305-D307 PolarHBondContact O-N 2.88Å
308F41.2Very low46.9Very low172 Ų172114.6 Ų114.675%0.75466%0.661SS**SBendtrans-129.584.4174.9-68.9-78.7000111.9T304 A305 A306T304-F308 WeakPolarHBondContact O-CD2 3.49Å; A305-F308 CarbonylContact O-C 3.6Å; A305-F308 PolarHBondContact O-N 3.25Å; A306-F308 VanDerWaalsContact C-N 3.28Å; A306-F308 PolarHBondContact O-N 2.97Å
309P38.1Very low44.6Very low101 Ų101116.8 Ų116.866%0.65668%0.677SS**  trans-64.814217125.3-30.7000110.5L311P309-L311 PolarHBondContact O-N 3.12Å
310P36.7Very low42.4Very low113 Ų113119.9 Ų119.973%0.73470%0.696SS**  trans-65.7121.3179.524.9-31.3000110.1T312P310-T312 VanDerWaalsContact C-N 3.28Å; P310-T312 PolarHBondContact O-N 3.42Å
311L32.4Very low40.5Very low180 Ų180120.7 Ų120.794%0.94271%0.708SS**  trans-68.486.9167.1-73.6167.5000109.1P309 G313P309-L311 PolarHBondContact O-N 3.12Å; L311-G313 PolarHBondContact O-N 3.08Å
312T34.4Very low38.7Very low140 Ų140124 Ų12486%0.85972%0.72SS**  trans-78.299.6160.747.10000108.7P310P310-T312 VanDerWaalsContact C-N 3.28Å; P310-T312 PolarHBondContact O-N 3.42Å
313G30.8Very low36.8Very low65 Ų65126.5 Ų126.567%0.6773%0.734SS**  trans-154.881.8175.300000111.4L311L311-G313 PolarHBondContact O-N 3.08Å
314I31.1Very low35.2Very low163 Ų163129.2 Ų129.284%0.83675%0.745SS**  trans28.9117.5145.5-52.3176.7000117.3
315C24.4Very low33.6Very low115 Ų115135.9 Ų135.978%0.77777%0.769SS**  trans-51.4144.5168.7-74.30000114.5
316H27Very low31.8Very low184 Ų184141.2 Ų141.285%0.85278%0.783SS**  -143143.7127.9-85.5-66.8000110
317P34.3Very low30.3Very low111 Ų111143 Ų14372%0.72179%0.788SS**  trans-89.7137.6-179.634.8-28000109.7
318E23.5Very low29Very low185 Ų185145 Ų14586%0.86480%0.799SS**  trans-166.5126.5147.1-110.8168-154.900113.1
319T25.2Very low28.1Very low122 Ų122141.5 Ų141.575%0.74880%0.796SS**  trans57.8112.4144.646.10000121.9
320T25.5Very low27.5Very low129 Ų129146.3 Ų146.379%0.79181%0.807SS**  trans-47.8155154.447.80000113.3
321P29.9Very low26.9Very low127 Ų127146.9 Ų146.983%0.82581%0.808SS**  -135.1155.691.731.6-16.3000114.6
322Q28.6Very low26.5Very low171 Ų171146.7 Ų146.780%0.79980%0.802SS**  trans-62.6147.6-179.9-59.3-166.4-22.900113.5
323L24.9Very low26Very low171 Ų171148 Ų14890%0.89580%0.803SS**  trans-146.2119149.6-118.5148.9000110.1
324L25.4Very low25.6Very low134 Ų134148.5 Ų148.570%0.70280%0.797SS**  trans-41.3136171.1-10282.9000112.3
325F24.6Very low25.4Very low208 Ų208149.6 Ų149.691%0.91280%0.798SS**  -155.5125.6129.6-102-76.3000109.8
326Q24.8Very low25.4Very low176 Ų176153.1 Ų153.182%0.82280%0.803SS**PPolyproline II helixtrans-68.2156.1177.6-86171.8-8400112.5
327P24.9Very low25.3Very low114 Ų114148.7 Ų148.774%0.7479%0.792SS**PPolyproline II helixtrans-87.3128170.833.2-27.6000110.8
328D21.4Very low25.1Very low164 Ų164148.6 Ų148.688%0.87779%0.792SS**PPolyproline II helixtrans-82.9138.3164.5-100.1-30.1000110.9
329S22.5Very low25.5Very low99 Ų99144.4 Ų144.469%0.69278%0.783SS**PPolyproline II helixtrans-85.9132.1-170.1-55.90000110.6
330F25Very low25.8Very low201 Ų201144.7 Ų144.788%0.88278%0.779SS**  trans-138.5116.4154-85.4-73.8000113.6
331T24.5Very low26Very low125 Ų125142 Ų14277%0.76777%0.766SS**  trans-14.5132161.648.60000120.4
332H23.2Very low26.3Very low176 Ų176143.2 Ų143.282%0.81576%0.761SS**  trans-51.7129.6161-153.6-102.5000113.4
333L23.9Very low26.6Very low167 Ų167141.2 Ų141.287%0.87476%0.755SS**  trans-139.9105.6158.7-112.3152.9000108.6
334S22.3Very low26.8Very low77 Ų77138.8 Ų138.854%0.53874%0.739SS.*  trans-77.6126.5179.859.10000111.1
335Q26.9Very low27.1Very low186 Ų186135.4 Ų135.487%0.86973%0.73SS**  trans-140.6127.1149.4-71.6-165.8-11.400109.8
336H24.7Very low27.5Very low188 Ų188132.8 Ų132.887%0.8773%0.725SS**  trans-72.8133.6-169.8-76.9-100000113.3
337S26.1Very low27.8Very low91 Ų91127.9 Ų127.964%0.63672%0.715SS**  trans-142125.1150.760.30000108.8
338P29Very low28Very low109 Ų109128.7 Ų128.771%0.70871%0.713SS**THydrogen-bonded Turntrans-93.813-16735.7-34.1000115.1
339S32.4Very low28.4Very low98 Ų98125.5 Ų125.569%0.68570%0.703SS**THydrogen-bonded Turntrans-90.9-10.3-172.857.30000115.4
340L31.8Very low28.8Very low127 Ų127130.2 Ų130.267%0.66571%0.714SS**SBendtrans-106-16.5-174.6-142.7136.7000113.3
341S29.8Very low28.9Very low74 Ų74125 Ų12552%0.51771%0.709SS.*Hα-helixtrans-76.8-20.2179.241.80000114A345S341-A345 VanDerWaalsContact O-CB 3.31Å; S341-A345 WeakPolarHBondContact O-CB 3.17Å; S341-A345 PolarHBondContact O-N 3.42Å
342Q35.5Very low28.9Very low151 Ų151127.7 Ų127.771%0.70672%0.717SS**Hα-helixtrans-79.2-26.4177.3-78.3-179.4-38.400113.8
343L33.9Very low29Very low130 Ų130122.4 Ų122.468%0.68171%0.711SS**Hα-helixtrans-83.1-30.4178.3-115.2145.7000112.3
344Q30.8Very low29.1Very low120 Ų120120.9 Ų120.956%0.56171%0.71SS**Hα-helixtrans-75.7-34.5173.9-156.68116.100112L346 A347Q344-L346 VanDerWaalsContact C-N 3.29Å; Q344-L346 PolarHBondContact O-N 3.2Å; Q344-A347 PolarHBondContact O-N 2.96Å
345A31.1Very low29.3Very low62 Ų62123.3 Ų123.351%0.51272%0.722SS.*Hα-helixtrans-69.6-21.1-177.900000114.4S341S341-A345 VanDerWaalsContact O-CB 3.31Å; S341-A345 WeakPolarHBondContact O-CB 3.17Å; S341-A345 PolarHBondContact O-N 3.42Å
346L33.5Very low29.1Very low154 Ų154122.1 Ų122.181%0.80672%0.721SS**THydrogen-bonded Turntrans-81.6-16174.9-79164.4000113.2Q344Q344-L346 VanDerWaalsContact C-N 3.29Å; Q344-L346 PolarHBondContact O-N 3.2Å
347A30.7Very low29Very low73 Ų73122.8 Ų122.860%0.60372%0.722SS**THydrogen-bonded Turntrans-87.1-26.5179.200000113.2Q344Q344-A347 PolarHBondContact O-N 2.96Å
348D27.8Very low29Very low131 Ų131126.1 Ų126.170%0.70173%0.732SS**SBendtrans-101.223.8-172-79-27000114.6
349S30.8Very low28.8Very low97 Ų97130.1 Ų130.168%0.67874%0.741SS**  trans-141.253.2-178.9-700000114.5
350Q30.2Very low28.5Very low197 Ų197130.8 Ų130.892%0.92175%0.746SS**  trans-149.795.4153.2-71.1-159.4-12.700111.8
351A27.1Very low28.2Very low93 Ų93133.7 Ų133.777%0.76976%0.756SS**  trans-130.687.2156.500000107.6
352L25.6Very low27.9Very low180 Ų180142.4 Ų142.494%0.94278%0.778SS**SBendtrans175.5106.5153.9-98.6142000111.7
353G25.5Very low27.3Very low66 Ų66144.4 Ų144.468%0.6879%0.789SS**  trans76.2141.8145.700000119.7
354P26.2Very low26.7Very low134 Ų134141.3 Ų141.387%0.8779%0.788SS**  trans-83.3132.3179.333.3-29.5000110.9
355V25.6Very low26.3Very low129 Ų129143.1 Ų143.178%0.78280%0.801SS**  trans-125.5117.8170.3-175.20000109.3
356D23.1Very low25.9Very low160 Ų160146.8 Ų146.886%0.85681%0.812SS**  trans-58.5128.3175.5-70.5-52.6000112.1
357F23.1Very low25.4Very low202 Ų202146 Ų14689%0.88681%0.814SS**  trans-110.982.2171.2-115.7-89.1000110.8
358L25Very low25.1Very low161 Ų161146.3 Ų146.384%0.84382%0.824SS**  trans-131.2101.9154.3-96.6170.2000106.6
359Q26.1Very low24.9Very low193 Ų193144.7 Ų144.790%0.90283%0.828SS**  -174.9142.3129-106166.9-7.700115
360S25.4Very low24.8Very low113 Ų113145.6 Ų145.679%0.7983%0.832SS**  trans-73160-179-169.40000113
361H25.3Very low24.5Very low188 Ų188141.1 Ų141.187%0.8782%0.823SS**  trans-36.7129.1171.7-78.8-69.7000116
362R23Very low24.5Very low257 Ų257145 Ų14597%0.9783%0.829SS**  trans-160.2151.7130.7-124.7-177.8-177.5-169.51.3113.4
363M23.9Very low24.5Very low192 Ų192142.7 Ų142.795%0.94682%0.822SS**  trans-93.3150-166.4-179.4163.1167.600113.3
364G21.6Very low24.5Very low65 Ų65144.8 Ų144.867%0.6783%0.833SS**  trans152.6110155.300000119.2
365L21.5Very low24.4Very low158 Ų158142.2 Ų142.283%0.82783%0.83SS**  trans77.8111.1136.8-103.187.1000123.3
366L22.8Very low24.3Very low140 Ų140140.1 Ų140.173%0.73384%0.835SS**  131.7129115.7-77.2175.9000118.9
367T22.3Very low24.3Very low138 Ų138137.5 Ų137.585%0.84784%0.835SS**  trans76.6121.8143.453.30000121.8
368G24.8Very low24.4Very low79 Ų79137 Ų13781%0.81483%0.834SS**  trans150.782.6154.700000115.3
369A23.8Very low24.6Very low97 Ų97135.3 Ų135.380%0.80283%0.832SS**  trans-73.7162.8162.700000110.3
370P29.1Very low24.5Very low116 Ų116130.3 Ų130.375%0.75382%0.818SS**  -136.7133.559.621.72.6000115.2
371S23.9Very low24.5Very low103 Ų103135.3 Ų135.372%0.7282%0.821SS**  46.3109.9105.760.10000119.6
372I27.9Very low25Very low175 Ų175132.1 Ų132.190%0.89782%0.818SS**  trans-145.2132.4136.1-51.2-178.8000108.2
373T24.4Very low25Very low131 Ų131122.9 Ų122.980%0.80480%0.802SS**  trans-105.3147-173.743.40000113.6
374A25.7Very low25Very low110 Ų110122.1 Ų122.191%0.90980%0.801SS**  trans160.8137.2133.600000109.4
375G24.2Very low25.1Very low79 Ų79124.9 Ų124.981%0.81481%0.805SS**  cis174.8145.8-2.900000109.9
376G23.5Very low25.3Very low86 Ų86123.1 Ų123.189%0.88781%0.806SS**  trans79.9137160.300000117.9
377A24.1Very low25.3Very low104 Ų104119.5 Ų119.586%0.8680%0.803SS**  cis-163.7151.64.800000110.2
378F24.1Very low25.4Very low193 Ų193121.5 Ų121.585%0.84681%0.807SS**  trans-83.4176.8173.6-71.9-89.4000112.7
379P30.3Very low25.5Very low125 Ų125126 Ų12681%0.81281%0.807SS**  -130.7137.573.313.510.6000113.9
380S23.9Very low25.8Very low88 Ų88127.5 Ų127.562%0.61581%0.809SS**  76.8101.578.5-62.20000116.6
381Y23.6Very low25.6Very low217 Ų217125.3 Ų125.385%0.85181%0.807SS**  85.7162.2100.3-88.6-79.1000115.4
382P36.4Very low25.6Very low122 Ų122125.6 Ų125.679%0.79282%0.816SS**  cis-127.5177.3-4.631.8-9.3000113.8
383G22.9Very low25.4Very low62 Ų62128.9 Ų128.964%0.63982%0.817SS**  cis126.2125.615.800000109
384L25.3Very low25.3Very low176 Ų176127 Ų12792%0.92182%0.815SS**  trans-169.6148.2152.9-102169.9000111.5
385T22.6Very low25.2Very low123 Ų123129.8 Ų129.876%0.75581%0.813SS**  trans-121.8178.9-152.560.80000113.2
386S26Very low25.5Very low121 Ų121131.2 Ų131.285%0.84681%0.808SS**  trans95.5132.4167.2870000114.4
387G21.8Very low25.5Very low65 Ų65134.7 Ų134.767%0.6781%0.806SS**  cis129.8134.59.900000109.3
388L25.5Very low25.6Very low179 Ų179138.1 Ų138.194%0.93780%0.804SS**  trans103.4105.2166.5-58.3156000118
389Q25.7Very low25.7Very low174 Ų174134.3 Ų134.381%0.81380%0.801SS**  trans-92.3160.5141.3-87.3-129-37.300109
390P31.8Very low25.6Very low129 Ų129134.4 Ų134.484%0.83880%0.802SS**  -144.516198.232.1-13000114.8
391G23.1Very low25.7Very low70 Ų70137.5 Ų137.572%0.72281%0.81SS**  trans-91.2-177.1-168.800000118.5
392A25.5Very low25.7Very low109 Ų109132.8 Ų132.890%0.90181%0.809SS**  trans-156.8161.4165.200000111.7
393R23.1Very low25.2Very low244 Ų244132.9 Ų132.992%0.92181%0.807SS**  trans-83.3145.8-155.7-70.7168.3155146.6-8.3117.4
394A21.8Very low25.3Very low92 Ų92139 Ų13976%0.7682%0.819SS**  54135.3124.800000125.5
395L24.2Very low25.2Very low168 Ų168139 Ų13988%0.8882%0.816SS**  trans102.2152.1141.6-77.3170.2000120.7
396P29.9Very low25.2Very low109 Ų109137.5 Ų137.571%0.70882%0.816SS**  -117.1165.5-11942.4-32.1000114.8
397L24.6Very low25.2Very low159 Ų159138.7 Ų138.783%0.83281%0.812SS**  trans-148.3108.9167.4-151.672.4000113.9
398Q26.3Very low25.3Very low176 Ų176141.6 Ų141.682%0.82282%0.817SS**  trans31.6121.1144.4-66.6177.3-17.800121.6
399S24.7Very low25.3Very low113 Ų113136.6 Ų136.679%0.7981%0.809SS**  trans-70155156.451.50000113.2
400P29Very low25.3Very low126 Ų126137.1 Ų137.182%0.81881%0.811SS**  trans-106.1132.6151.928-14.1000112.9
401I26.2Very low25Very low154 Ų154135 Ų13579%0.7980%0.797SS**  trans-36.6130.2169.8-63.7152000114.6V403I401-V403 HydrophobicContact CG2-CG2 4.19Å
402S23Very low25.1Very low118 Ų118143 Ų14383%0.82581%0.806SS**PPolyproline II helixtrans-99.5122.6160.3-175.30000108.9
403V25.8Very low25.1Very low124 Ų124145.8 Ų145.875%0.75280%0.8SS**PPolyproline II helixtrans-82.8117.5178.1-178.20000108.6I401I401-V403 HydrophobicContact CG2-CG2 4.19Å
404Q24.9Very low25.2Very low191 Ų191140 Ų14089%0.89380%0.795SS**PPolyproline II helixtrans-93.6127.9172.8-122.7170.2-0.500109.1
405M23.2Very low25.3Very low174 Ų174143 Ų14386%0.85780%0.798SS**  trans-117.4117.8168.6-104.7-94.7-167.900107.8
406A24Very low25.3Very low93 Ų93140.7 Ų140.777%0.76980%0.796SS**  trans-92.7125.7174.300000109.2
407L25Very low25.2Very low145 Ų145143.4 Ų143.476%0.75980%0.801SS**  trans-142.7107.2159.6-83.6173.8000110.4
408T23.4Very low25.2Very low127 Ų127139.8 Ų139.878%0.77979%0.794SS**  trans47109.3132.459.80000118.4
409G27.1Very low25.3Very low73 Ų73142.2 Ų142.275%0.75380%0.797SS**  trans-77.2154.5168.300000113.5
410E24.2Very low25.3Very low186 Ų186142.5 Ų142.587%0.86980%0.799SS**  trans-153.9160164.2-94.1-72.1124.800107.1
411P26.5Very low25.3Very low84 Ų84140.7 Ų140.755%0.54580%0.804SS.*  trans-89154.6-13232.9-37.9000116.2H413P411-H413 PolarHBondContact O-N 3.5Å
412R25.5Very low25.2Very low238 Ų238136.4 Ų136.490%0.89880%0.798SS**  trans-68.7115.8170.7-67.3179.5175.5160.7-1.4110C414R412-C414 PolarHBondContact O-N 2.89Å
413H25.6Very low25.5Very low167 Ų167141.2 Ų141.277%0.77380%0.799SS**  trans-78.7103.4164.3-67.6-69.4000109.3P411 L415P411-H413 PolarHBondContact O-N 3.5Å; H413-L415 PolarHBondContact O-N 3.41Å
414C23.6Very low25.8Very low123 Ų123143.3 Ų143.383%0.83181%0.805SS**  trans-72.799.5166.9-64.20000108.7R412 S416R412-C414 PolarHBondContact O-N 2.89Å; C414-S416 PolarHBondContact O-N 3.46Å
415L25.1Very low25.8Very low156 Ų156137.6 Ų137.682%0.81780%0.798SS**  trans-83.698.9163.4-71.6171.7000107.9H413 M417H413-L415 PolarHBondContact O-N 3.41Å; L415-M417 PolarHBondContact O-N 3.24Å
416S23.8Very low25.9Very low118 Ų118135.3 Ų135.383%0.82579%0.794SS**  trans-64.7112.5162-179.50000107.8C414C414-S416 PolarHBondContact O-N 3.46Å
417M27.7Very low26.1Very low166 Ų166139.3 Ų139.382%0.81880%0.796SS**  trans-113.3102.6168.9-81.2-158.661.700108.9L415L415-M417 PolarHBondContact O-N 3.24Å
418A25Very low26.2Very low84 Ų84141.3 Ų141.369%0.69480%0.801SS**  trans-57.2134.8167.700000110.2S420A418-S420 PolarHBondContact O-N 3.37Å
419Y27.8Very low26.3Very low226 Ų226141.6 Ų141.689%0.88680%0.803SS**  trans-60.7116.5170.4-89.4-93.9000109.4
420S24.7Very low26.2Very low119 Ų119147.8 Ų147.883%0.83281%0.81SS**  trans-148115.7164.9-82.10000111A418A418-S420 PolarHBondContact O-N 3.37Å
421G29.3Very low26.4Very low89 Ų89144.7 Ų144.792%0.91880%0.804SS**  trans99.8110.4141.700000117
422G24.9Very low26.6Very low64 Ų64145.8 Ų145.866%0.6682%0.819SS**SBendtrans-176.6-1.9164.300000119.6
423Y29.4Very low27.3Very low219 Ų219137.8 Ų137.886%0.85981%0.811SS**SBendtrans-15131.3175-86.8-72.5000115.5
424L30.5Very low27.5Very low167 Ų167135.7 Ų135.787%0.87481%0.814SS**  trans-12998172.9-73.6168.7000110.6
425G25.5Very low27.8Very low71 Ų71137.1 Ų137.173%0.73281%0.806SS**  trans-80.5123159.300000109.7
426T26.5Very low28.1Very low127 Ų127137.3 Ų137.378%0.77981%0.808SS**SBendtrans65.7100.9158.8320000118.6
427H28.2Very low28.4Very low177 Ų177147.2 Ų147.282%0.81983%0.828SS**  trans37.889.5150.3-67.6-80.9000118.8
428H25.6Very low28.4Very low186 Ų186146.3 Ų146.386%0.86183%0.828SS**  trans-143.9118.7141.2-76.1-65000109.7F430H428-F430 PolarHBondContact O-N 3.29Å
429T26.1Very low28.6Very low134 Ų134149.6 Ų149.682%0.82284%0.835SS**  trans-60.3125.1172.4-2.90000109.4T431T429-T431 PolarHBondContact O-N 3.37Å; T429-T431 VanDerWaalsContact O-N 3.16Å
430F25.8Very low28.6Very low203 Ų203145.3 Ų145.389%0.8983%0.832SS**  trans-59.4116.5170.6-105.2-99.3000108.9H428H428-F430 PolarHBondContact O-N 3.29Å
431T27.4Very low28.8Very low121 Ų121146.9 Ų146.974%0.74283%0.832SS**  trans-117.7127.3163.332.90000107.4T429T429-T431 PolarHBondContact O-N 3.37Å; T429-T431 VanDerWaalsContact O-N 3.16Å
432A31.1Very low28.8Very low106 Ų106150.5 Ų150.588%0.87683%0.827SS**SBendtrans-60143.8169.400000110.2
433G39.2Very low29.1Very low70 Ų70156.3 Ų156.372%0.72284%0.838SS**  trans83.2105.9170.100000114.8
434C29.9Very low29.1Very low124 Ų124151.8 Ų151.884%0.83884%0.837SS**  trans-163.664.9161.7-940000110.9
435F29.9Very low28.9Very low153 Ų153150.6 Ų150.667%0.67183%0.834SS**  trans-130.769.8146.1-90.3-76000106.4Y212Y212-F435 HydrophobicContact CE1-CD1 4.47Å; Y212-F435 HydrophobicContact CE1-CD2 4.33Å; Y212-F435 HydrophobicContact CE1-CE1 4.19Å; Y212-F435 HydrophobicContact CE1-CE2 4.04Å; Y212-F435 AromaticContact CE1-CZ 3.96Å; Y212-F435 HydrophobicContact CE1-CZ 3.96Å; Y212-F435 AromaticContact CZ-CE2 3.89Å; Y212-F435 WeakPolarHBondContact OH-CE2 3.38Å
436D31.8Very low29.2Very low160 Ų160157.3 Ų157.386%0.85684%0.842SS**  trans-150.588164.9-103.9-27.9000107.9
437R29.3Very low29.5Very low326 Ų326160 Ų160100%1.2385%0.848SS**  trans168.30134.5-93.7-176178-163.30111.4

Retrieved 437 of 437 residues in 713 ms (Link to these results)

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