A0A087XSM7_POEFO Loading...

Paralemmin-1

AlphaFold DB , UniProt , Accession A0A087XSM7, Species POEFO (Poecilia formosa, Amazon molly), Gene PALM, Length 393 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
1M73.2Confident87.7Confident217 Ų217124.2 Ų124.2100%1.06961%0.614SS**  0-46.10-81.4-168.1-76.500112.1A3 H4 Q5M1-A3 PolarHBondContact O-N 2.83Å; M1-H4 WeakPolarHBondContact O-CB 3.48Å; M1-H4 PolarHBondContact O-N 3.33Å; M1-Q5 PolarHBondContact O-N 3.27Å
2E81.9Confident88.1Confident162 Ų162119.1 Ų119.176%0.75761%0.606SS**Hα-helixtrans-50.7-44.9-174.9-64.9165.6158.200114.6H4 Q5 N6E2-H4 VanDerWaalsContact C-N 3.28Å; E2-H4 PolarHBondContact O-N 3.28Å; E2-Q5 PolarHBondContact O-N 2.88Å; E2-Q5 VanDerWaalsContact O-N 3.1Å; E2-N6 WeakPolarHBondContact O-CB 3.47Å; E2-N6 PolarHBondContact O-N 2.87Å
3A87.3Confident88.4Confident85 Ų85117.9 Ų117.970%0.70260%0.597SS**Hα-helixtrans-58.9-34.3177.400000114.1M1 R7M1-A3 PolarHBondContact O-N 2.83Å; A3-R7 WeakPolarHBondContact O-CB 3.4Å; A3-R7 PolarHBondContact O-N 3.37Å
4H89.4Confident88.6Confident127 Ų127115.4 Ų115.459%0.58859%0.586SS**Hα-helixtrans-73.3-39.7175.7-178.1-95000111.4M1 E2 R7 L8M1-H4 WeakPolarHBondContact O-CB 3.48Å; M1-H4 PolarHBondContact O-N 3.33Å; E2-H4 VanDerWaalsContact C-N 3.28Å; E2-H4 PolarHBondContact O-N 3.28Å; H4-R7 PolarHBondContact O-N 2.63Å; H4-L8 WeakPolarHBondContact O-CG 3.39Å; H4-L8 PolarHBondContact O-N 2.8Å
5Q89.6Confident88.9Confident140 Ų140120.1 Ų120.165%0.65459%0.593SS**Hα-helixtrans-64.7-42.9175.3-175174.569.900111.4M1 E2 L8 Q9M1-Q5 PolarHBondContact O-N 3.27Å; E2-Q5 PolarHBondContact O-N 2.88Å; E2-Q5 VanDerWaalsContact O-N 3.1Å; Q5-L8 PolarHBondContact O-N 2.84Å; Q5-Q9 WeakPolarHBondContact O-CB 3.33Å; Q5-Q9 PolarHBondContact O-N 3.15Å
6N88.8Confident89.3Confident86 Ų86121.6 Ų121.646%0.4660%0.596SS.*Hα-helixtrans-62.2-44.7175.8-171.6-89.2000111.7E2 L8 Q9 Q10E2-N6 WeakPolarHBondContact O-CB 3.47Å; E2-N6 PolarHBondContact O-N 2.87Å; N6-L8 PolarHBondContact O-N 2.85Å; N6-Q9 PolarHBondContact O-N 3.26Å; N6-Q10 WeakPolarHBondContact O-CG 3.2Å; N6-Q10 PolarHBondContact O-N 2.9Å; N6-Q10 PolarHBondContact OD1-NE2 2.97Å
7R91.1Very high89.5Confident173 Ų173117.2 Ų117.265%0.65357%0.571SS**Hα-helixtrans-60-41.7174-177.1178.9177.3-175.7-0.4112.8A3 H4 L11A3-R7 WeakPolarHBondContact O-CB 3.4Å; A3-R7 PolarHBondContact O-N 3.37Å; H4-R7 PolarHBondContact O-N 2.63Å; R7-L11 WeakPolarHBondContact O-CG 3.47Å; R7-L11 PolarHBondContact O-N 3.38Å; R7-L11 VanDerWaalsContact O-N 3.11Å
8L91.8Very high89.6Confident95 Ų95116.9 Ų116.950%0.49757%0.568SS.*Hα-helixtrans-66.2-38.8175.9-73.7177.1000112.1H4 Q5 N6 L11 A12H4-L8 WeakPolarHBondContact O-CG 3.39Å; H4-L8 PolarHBondContact O-N 2.8Å; Q5-L8 PolarHBondContact O-N 2.84Å; N6-L8 PolarHBondContact O-N 2.85Å; L8-L11 PolarHBondContact O-N 3.46Å; L8-A12 PolarHBondContact O-N 3.48Å; L8-A12 VanDerWaalsContact O-N 3.09Å
9Q91.2Very high89.9Confident102 Ų102114.8 Ų114.848%0.47756%0.563SS.*Hα-helixtrans-63.7-46.6175.2-179.5173-14.700111.5Q5 N6 L11 A12 E13Q5-Q9 WeakPolarHBondContact O-CB 3.33Å; Q5-Q9 PolarHBondContact O-N 3.15Å; N6-Q9 PolarHBondContact O-N 3.26Å; Q9-L11 VanDerWaalsContact C-N 3.29Å; Q9-L11 PolarHBondContact O-N 3.06Å; Q9-A12 WeakPolarHBondContact O-CB 3.28Å; Q9-A12 PolarHBondContact O-N 2.93Å; Q9-A12 VanDerWaalsContact O-N 3.08Å; Q9-E13 HydrophobicContact CG-CG 4.39Å; Q9-E13 VanDerWaalsContact CG-OE1 3.32Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.48Å; Q9-E13 PolarHBondContact NE2-OE1 2.65Å; Q9-E13 WeakPolarHBondContact O-CG 3.25Å; Q9-E13 PolarHBondContact O-N 3.49Å
10Q90.6Very high90.2Very high75 Ų75113 Ų11335%0.3555%0.553SS.*Hα-helixtrans-57.7-39.4175-72.9175.5-12.100112.6N6 E13 N14 H103N6-Q10 WeakPolarHBondContact O-CG 3.2Å; N6-Q10 PolarHBondContact O-N 2.9Å; N6-Q10 PolarHBondContact OD1-NE2 2.97Å; Q10-E13 PolarHBondContact O-N 3.02Å; Q10-N14 VanDerWaalsContact O-CB 3.23Å; Q10-N14 WeakPolarHBondContact O-CB 2.75Å; Q10-N14 PolarHBondContact O-N 3.42Å; Q10-H103 PolarHBondContact OE1-CE1 2.83Å
11L90.1Very high90.4Very high104 Ų104107.9 Ų107.955%0.54553%0.528SS..Hα-helixtrans-66-38175.5-73168.7000112.3R7 L8 Q9 R15R7-L11 WeakPolarHBondContact O-CG 3.47Å; R7-L11 PolarHBondContact O-N 3.38Å; R7-L11 VanDerWaalsContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 3.46Å; Q9-L11 VanDerWaalsContact C-N 3.29Å; Q9-L11 PolarHBondContact O-N 3.06Å; L11-R15 WeakPolarHBondContact O-CB 3.31Å; L11-R15 PolarHBondContact O-N 3.06Å
12A92.1Very high91.5Very high63 Ų63104 Ų10452%0.52151%0.508SS..Hα-helixtrans-69-40.7175.500000112.2L8 Q9 K16L8-A12 PolarHBondContact O-N 3.48Å; L8-A12 VanDerWaalsContact O-N 3.09Å; Q9-A12 WeakPolarHBondContact O-CB 3.28Å; Q9-A12 PolarHBondContact O-N 2.93Å; Q9-A12 VanDerWaalsContact O-N 3.08Å; A12-K16 WeakPolarHBondContact O-CB 3.32Å; A12-K16 PolarHBondContact O-N 3.47Å
13E91.8Very high92.3Very high104 Ų104101.2 Ų101.249%0.48650%0.498SS..Hα-helixtrans-66.4-43.2176.3-73169.6179.400111.6Q9 Q10 K16 W17Q9-E13 HydrophobicContact CG-CG 4.39Å; Q9-E13 VanDerWaalsContact CG-OE1 3.32Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.48Å; Q9-E13 PolarHBondContact NE2-OE1 2.65Å; Q9-E13 WeakPolarHBondContact O-CG 3.25Å; Q9-E13 PolarHBondContact O-N 3.49Å; Q10-E13 PolarHBondContact O-N 3.02Å; E13-K16 PolarHBondContact O-N 2.86Å; E13-W17 WeakPolarHBondContact O-CB 3.31Å; E13-W17 PolarHBondContact O-N 3.42Å
14N91.9Very high92.8Very high83 Ų8399 Ų9944%0.44447%0.473SS..Hα-helixtrans-61.4-48.1174.5-171.8-51.9000111.2Q10 K16 W17 Q18Q10-N14 VanDerWaalsContact O-CB 3.23Å; Q10-N14 WeakPolarHBondContact O-CB 2.75Å; Q10-N14 PolarHBondContact O-N 3.42Å; N14-K16 VanDerWaalsContact C-N 3.33Å; N14-K16 PolarHBondContact O-N 3.19Å; N14-W17 PolarHBondContact O-N 3.04Å; N14-Q18 WeakPolarHBondContact O-CB 3.4Å; N14-Q18 PolarHBondContact O-N 3.12Å
15R93.3Very high93.2Very high185 Ų18598.8 Ų98.870%0.69847%0.466SS*.Hα-helixtrans-59-42.2175.3-176.4178.2179.1176.51.4112.2L11 Q18 T19L11-R15 WeakPolarHBondContact O-CB 3.31Å; L11-R15 PolarHBondContact O-N 3.06Å; R15-Q18 PolarHBondContact O-N 2.6Å; R15-T19 PolarHBondContact O-N 2.99Å; R15-T19 PolarHBondContact O-OG1 3.45Å
16K94.4Very high93.6Very high145 Ų14599.1 Ų99.163%0.6346%0.462SS*.Hα-helixtrans-61.7-49.4176.4-175.4-169.9174.3-167.50110.8A12 E13 N14 Q18 T19 E20A12-K16 WeakPolarHBondContact O-CB 3.32Å; A12-K16 PolarHBondContact O-N 3.47Å; E13-K16 PolarHBondContact O-N 2.86Å; N14-K16 VanDerWaalsContact C-N 3.33Å; N14-K16 PolarHBondContact O-N 3.19Å; K16-Q18 VanDerWaalsContact C-N 3.31Å; K16-Q18 PolarHBondContact O-N 2.78Å; K16-T19 PolarHBondContact O-N 3.13Å; K16-T19 PolarHBondContact O-OG1 2.91Å; K16-E20 PolarHBondContact O-N 3.01Å
17W92.4Very high94.1Very high47 Ų4798.8 Ų98.818%0.17846%0.458CS..Hα-helixtrans-60.1-40.8177.8177.291.8000111.8E13 N14 T19 E20 M21 L92 L96E13-W17 WeakPolarHBondContact O-CB 3.31Å; E13-W17 PolarHBondContact O-N 3.42Å; N14-W17 PolarHBondContact O-N 3.04Å; W17-T19 PolarHBondContact O-N 2.61Å; W17-E20 PolarHBondContact O-N 3.13Å; W17-M21 HydrophobicContact CD2-CG 4.38Å; W17-M21 HydrophobicContact CE3-CG 4.49Å; W17-M21 HydrophobicContact CH2-CB 4.16Å; W17-M21 HydrophobicContact CH2-CG 3.37Å; W17-M21 HydrophobicContact CZ2-CB 4.36Å; W17-M21 HydrophobicContact CZ2-CG 3.24Å; W17-M21 HydrophobicContact CZ2-SD 4.26Å; W17-M21 HydrophobicContact CZ3-CB 4.38Å; W17-M21 HydrophobicContact CZ3-CG 4.03Å; W17-M21 PolarHBondContact O-N 3.41Å; W17-L92 HydrophobicContact CZ2-CB 3.93Å; W17-L92 WeakPolarHBondContact CZ2-O 3.21Å; W17-L96 HydrophobicContact CE3-CD1 4.13Å; W17-L96 HydrophobicContact CH2-CB 3.41Å; W17-L96 VanDerWaalsContact CH2-CB 3.41Å; W17-L96 HydrophobicContact CH2-CD1 4.1Å; W17-L96 HydrophobicContact CH2-CD2 3.62Å; W17-L96 HydrophobicContact CH2-CG 3.88Å; W17-L96 HydrophobicContact CZ2-CB 3.66Å; W17-L96 HydrophobicContact CZ3-CB 3.95Å; W17-L96 HydrophobicContact CZ3-CD1 3.72Å; W17-L96 HydrophobicContact CZ3-CD2 3.73Å; W17-L96 HydrophobicContact CZ3-CG 3.99Å
18Q92.3Very high94.4Very high112 Ų11291.2 Ų91.252%0.52343%0.43SS..Hα-helixtrans-60.5-46.6176.2-173.3-179.517.300111.4N14 R15 K16 E20 M21 E22N14-Q18 WeakPolarHBondContact O-CB 3.4Å; N14-Q18 PolarHBondContact O-N 3.12Å; R15-Q18 PolarHBondContact O-N 2.6Å; K16-Q18 VanDerWaalsContact C-N 3.31Å; K16-Q18 PolarHBondContact O-N 2.78Å; Q18-E20 VanDerWaalsContact C-N 3.34Å; Q18-E20 PolarHBondContact O-N 3.23Å; Q18-M21 PolarHBondContact O-N 3.07Å; Q18-E22 PolarHBondContact O-N 3.23Å
19T94.5Very high94.7Very high76 Ų7691.7 Ų91.747%0.46643%0.429SS..Hα-helixtrans-66.8-32.8175.854.70000113.2R15 K16 W17 N23R15-T19 PolarHBondContact O-N 2.99Å; R15-T19 PolarHBondContact O-OG1 3.45Å; K16-T19 PolarHBondContact O-N 3.13Å; K16-T19 PolarHBondContact O-OG1 2.91Å; W17-T19 PolarHBondContact O-N 2.61Å; T19-N23 VanDerWaalsContact O-CB 3.26Å; T19-N23 WeakPolarHBondContact O-CB 3.17Å; T19-N23 PolarHBondContact O-N 3.24Å; T19-N23 VanDerWaalsContact O-N 3.07Å
20E95.7Very high95.1Very high78 Ų7888.9 Ų88.936%0.36442%0.418SS..Hα-helixtrans-66.8-42.4174.4-172.8178.1157.700111K16 W17 Q18 N23 K24K16-E20 PolarHBondContact O-N 3.01Å; W17-E20 PolarHBondContact O-N 3.13Å; Q18-E20 VanDerWaalsContact C-N 3.34Å; Q18-E20 PolarHBondContact O-N 3.23Å; E20-N23 PolarHBondContact O-N 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 2.9Å; E20-K24 WeakPolarHBondContact OE1-CE 3.47Å; E20-K24 IonicContact OE1-NZ 2.77Å; E20-K24 PolarHBondContact OE1-NZ 3.44Å
21M95.6Very high95.5Very high7 Ų786.4 Ų86.43%0.03441%0.406CS..Hα-helixtrans-62.6-47.3176.7-102.4-60.8-65.300113.5W17 Q18 N23 K24 R25 V89 L92 E93W17-M21 HydrophobicContact CD2-CG 4.38Å; W17-M21 HydrophobicContact CE3-CG 4.49Å; W17-M21 HydrophobicContact CH2-CB 4.16Å; W17-M21 HydrophobicContact CH2-CG 3.37Å; W17-M21 HydrophobicContact CZ2-CB 4.36Å; W17-M21 HydrophobicContact CZ2-CG 3.24Å; W17-M21 HydrophobicContact CZ2-SD 4.26Å; W17-M21 HydrophobicContact CZ3-CB 4.38Å; W17-M21 HydrophobicContact CZ3-CG 4.03Å; W17-M21 PolarHBondContact O-N 3.41Å; Q18-M21 PolarHBondContact O-N 3.07Å; M21-N23 VanDerWaalsContact C-N 3.29Å; M21-N23 PolarHBondContact O-N 3.46Å; M21-K24 PolarHBondContact O-N 3.31Å; M21-R25 HydrophobicContact CE-CG 4.14Å; M21-R25 VanDerWaalsContact CE-NE 3.26Å; M21-R25 WeakPolarHBondContact O-CG 3.27Å; M21-R25 PolarHBondContact O-N 3.49Å; M21-V89 HydrophobicContact CE-CG1 4.02Å; M21-V89 HydrophobicContact SD-CG1 4.44Å; M21-L92 HydrophobicContact CG-CB 3.88Å; M21-L92 HydrophobicContact CG-CD1 4.1Å; M21-L92 HydrophobicContact SD-CB 3.4Å; M21-L92 WeakPolarHBondContact SD-CB 3.39Å; M21-L92 HydrophobicContact SD-CD1 3.73Å; M21-L92 HydrophobicContact SD-CG 4.22Å; M21-E93 HydrophobicContact CE-CG 3.46Å; M21-E93 VanDerWaalsContact CE-CG 3.46Å; M21-E93 WeakPolarHBondContact CE-OE1 3.37Å; M21-E93 HydrophobicContact SD-CG 4.27Å
22E96.2Very high95.9Very high136 Ų13687.2 Ų87.264%0.63640%0.402SS*.Hα-helixtrans-60.9-41.7176.2-172.8175.1-169.600110.9Q18 R25 R26Q18-E22 PolarHBondContact O-N 3.23Å; E22-R25 PolarHBondContact O-N 3.39Å; E22-R26 WeakPolarHBondContact O-CB 3.49Å; E22-R26 PolarHBondContact O-N 2.7Å
23N98.1Very high96.2Very high103 Ų10389.3 Ų89.355%0.55140%0.396SS*.Hα-helixtrans-63.2-44.3175.7-167.513.9000112.4T19 E20 M21 R26 Q27T19-N23 VanDerWaalsContact O-CB 3.26Å; T19-N23 WeakPolarHBondContact O-CB 3.17Å; T19-N23 PolarHBondContact O-N 3.24Å; T19-N23 VanDerWaalsContact O-N 3.07Å; E20-N23 PolarHBondContact O-N 3.32Å; M21-N23 VanDerWaalsContact C-N 3.29Å; M21-N23 PolarHBondContact O-N 3.46Å; N23-R26 PolarHBondContact O-N 3.24Å; N23-Q27 WeakPolarHBondContact O-CB 3.45Å; N23-Q27 PolarHBondContact O-N 2.75Å
24K98Very high96.5Very high39 Ų3986.4 Ų86.417%0.1739%0.39CS..Hα-helixtrans-67-38.4176.8-68.7-162.5-165-174.10113.1E20 M21 Q27 L28 E88 V89 L92E20-K24 WeakPolarHBondContact O-CG 3.44Å; E20-K24 PolarHBondContact O-N 2.9Å; E20-K24 WeakPolarHBondContact OE1-CE 3.47Å; E20-K24 IonicContact OE1-NZ 2.77Å; E20-K24 PolarHBondContact OE1-NZ 3.44Å; M21-K24 PolarHBondContact O-N 3.31Å; K24-Q27 PolarHBondContact O-N 2.95Å; K24-L28 VanDerWaalsContact O-CB 3.31Å; K24-L28 WeakPolarHBondContact O-CB 3.43Å; K24-L28 PolarHBondContact O-N 3.37Å; K24-E88 HydrophobicContact CD-CB 4.14Å; K24-E88 WeakPolarHBondContact CE-OE2 3.15Å; K24-E88 IonicContact NZ-OE2 3.72Å; K24-E88 PolarHBondContact NZ-OE2 3.16Å; K24-V89 HydrophobicContact CB-CG2 3.82Å; K24-L92 HydrophobicContact CD-CD1 3.72Å
25R97.4Very high96.8Very high121 Ų12183.5 Ų83.546%0.45738%0.375SS..Hα-helixtrans-61.2-45.3172-75.5178.9174.5171.3-2.6111.2M21 E22 Q27 L28 E29 V89 E93M21-R25 HydrophobicContact CE-CG 4.14Å; M21-R25 VanDerWaalsContact CE-NE 3.26Å; M21-R25 WeakPolarHBondContact O-CG 3.27Å; M21-R25 PolarHBondContact O-N 3.49Å; E22-R25 PolarHBondContact O-N 3.39Å; R25-Q27 PolarHBondContact O-N 2.82Å; R25-L28 WeakPolarHBondContact O-CB 3.46Å; R25-L28 PolarHBondContact O-N 3.48Å; R25-E29 WeakPolarHBondContact O-CG 3.26Å; R25-E29 PolarHBondContact O-N 2.98Å; R25-V89 HydrophobicContact CG-CG1 3.93Å; R25-V89 HydrophobicContact CG-CG2 4.17Å; R25-E93 IonicContact CZ-OE1 2.67Å; R25-E93 IonicContact NE-OE1 2.86Å; R25-E93 PolarHBondContact NE-OE1 3.47Å; R25-E93 IonicContact NH2-OE1 2.7Å; R25-E93 PolarHBondContact NH2-OE1 3.39Å
26R98.4Very high97Very high147 Ų14781.2 Ų81.256%0.55537%0.372SS*.Hα-helixtrans-61.5-43.5176.2-168.6-177-179-65.8-9.6112.5E22 N23 E29 D30E22-R26 WeakPolarHBondContact O-CB 3.49Å; E22-R26 PolarHBondContact O-N 2.7Å; N23-R26 PolarHBondContact O-N 3.24Å; R26-E29 PolarHBondContact O-N 2.94Å; R26-D30 IonicContact CZ-OD2 3.21Å; R26-D30 IonicContact NH1-OD2 2.78Å; R26-D30 PolarHBondContact NH1-OD2 3.03Å; R26-D30 WeakPolarHBondContact O-CB 3.39Å; R26-D30 PolarHBondContact O-N 3.04Å
27Q98.4Very high97.2Very high80 Ų8081.2 Ų81.237%0.37437%0.374SS..Hα-helixtrans-61.7-42.8175.5-178.665.62500111.9N23 K24 R25 E29 D30 E31 L85N23-Q27 WeakPolarHBondContact O-CB 3.45Å; N23-Q27 PolarHBondContact O-N 2.75Å; K24-Q27 PolarHBondContact O-N 2.95Å; R25-Q27 PolarHBondContact O-N 2.82Å; Q27-E29 VanDerWaalsContact C-N 3.33Å; Q27-E29 PolarHBondContact O-N 3.23Å; Q27-D30 PolarHBondContact O-N 2.94Å; Q27-E31 PolarHBondContact NE2-OE1 3.17Å; Q27-E31 PolarHBondContact O-N 3.42Å; Q27-L85 HydrophobicContact CB-CD1 4.39Å; Q27-L85 HydrophobicContact CG-CD1 3.69Å; Q27-L85 HydrophobicContact CG-CD2 4.28Å
28L98.6Very high97.5Very high13 Ų1380 Ų807%0.06837%0.371CS..Hα-helixtrans-61-41.2176.5179165.3000111.5K24 R25 R32 L85 E86 V89K24-L28 VanDerWaalsContact O-CB 3.31Å; K24-L28 WeakPolarHBondContact O-CB 3.43Å; K24-L28 PolarHBondContact O-N 3.37Å; R25-L28 WeakPolarHBondContact O-CB 3.46Å; R25-L28 PolarHBondContact O-N 3.48Å; L28-R32 HydrophobicContact CD2-CG 4.36Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 WeakPolarHBondContact O-CG 3.49Å; L28-R32 PolarHBondContact O-N 2.93Å; L28-L85 HydrophobicContact CB-CB 4.1Å; L28-L85 HydrophobicContact CB-CD1 4.37Å; L28-L85 HydrophobicContact CD1-CB 4.28Å; L28-L85 HydrophobicContact CG-CB 4.34Å; L28-E86 HydrophobicContact CD1-CB 4.32Å; L28-E86 HydrophobicContact CD1-CG 3.66Å; L28-E86 HydrophobicContact CG-CG 4.26Å; L28-V89 HydrophobicContact CD1-CB 4.47Å; L28-V89 HydrophobicContact CD1-CG2 4.08Å
29E98.4Very high97.7Very high105 Ų10579.6 Ų79.649%0.49137%0.367SS..Hα-helixtrans-68.7-39.9173.7-70.2173.8-162.200113.1R25 R26 Q27 R32 R33R25-E29 WeakPolarHBondContact O-CG 3.26Å; R25-E29 PolarHBondContact O-N 2.98Å; R26-E29 PolarHBondContact O-N 2.94Å; Q27-E29 VanDerWaalsContact C-N 3.33Å; Q27-E29 PolarHBondContact O-N 3.23Å; E29-R32 PolarHBondContact O-N 2.88Å; E29-R33 WeakPolarHBondContact O-CB 3.45Å; E29-R33 PolarHBondContact O-N 3.36Å
30D98.6Very high97.8Very high44 Ų4479 Ų7924%0.23537%0.366CS..Hα-helixtrans-60.5-44.2174.6-76.6-22.6000110.7R26 Q27 R33 A34R26-D30 IonicContact CZ-OD2 3.21Å; R26-D30 IonicContact NH1-OD2 2.78Å; R26-D30 PolarHBondContact NH1-OD2 3.03Å; R26-D30 WeakPolarHBondContact O-CB 3.39Å; R26-D30 PolarHBondContact O-N 3.04Å; Q27-D30 PolarHBondContact O-N 2.94Å; D30-R33 PolarHBondContact O-N 3.43Å; D30-R33 IonicContact OD1-CZ 2.71Å; D30-R33 IonicContact OD1-NH1 2.8Å; D30-R33 PolarHBondContact OD1-NH1 2.88Å; D30-R33 IonicContact OD1-NH2 3.47Å; D30-R33 PolarHBondContact OD1-NH2 2.91Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.31Å
31E98.5Very high97.9Very high23 Ų2379.6 Ų79.611%0.10737%0.367CS..Hα-helixtrans-70.5-38.8176.5-72.1-177.7-160.500113.1Q27 R33 A34 L35 S81 I82 L85Q27-E31 PolarHBondContact NE2-OE1 3.17Å; Q27-E31 PolarHBondContact O-N 3.42Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3.35Å; E31-A34 PolarHBondContact O-N 3.47Å; E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 PolarHBondContact O-N 2.99Å; E31-S81 VanDerWaalsContact CD-OG 3.32Å; E31-S81 PolarHBondContact OE1-OG 3.39Å; E31-S81 WeakPolarHBondContact OE2-CB 3.28Å; E31-S81 PolarHBondContact OE2-OG 3.1Å; E31-I82 HydrophobicContact CB-CD1 4.33Å; E31-I82 HydrophobicContact CB-CG1 3.74Å; E31-L85 VanDerWaalsContact CD-CD1 3.44Å; E31-L85 HydrophobicContact CG-CD1 4.39Å; E31-L85 WeakPolarHBondContact OE1-CD1 3.47Å; E31-L85 WeakPolarHBondContact OE2-CD1 3.37Å
32R98.6Very high97.8Very high120 Ų12080.5 Ų80.545%0.45337%0.373SS..Hα-helixtrans-60-41.1171.9-79.9-179.8175.1175.3-2.7111.7L28 E29 L35 Q36 I82 E86L28-R32 HydrophobicContact CD2-CG 4.36Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 WeakPolarHBondContact O-CG 3.49Å; L28-R32 PolarHBondContact O-N 2.93Å; E29-R32 PolarHBondContact O-N 2.88Å; R32-L35 PolarHBondContact O-N 3.27Å; R32-Q36 WeakPolarHBondContact O-CG 3.38Å; R32-Q36 PolarHBondContact O-N 3.43Å; R32-I82 HydrophobicContact CG-CD1 4.03Å; R32-I82 HydrophobicContact CG-CG1 4.28Å; R32-I82 HydrophobicContact CG-CG2 4.08Å; R32-E86 IonicContact CZ-OE1 3.22Å; R32-E86 IonicContact NE-OE1 3.48Å; R32-E86 PolarHBondContact NE-OE1 2.93Å; R32-E86 IonicContact NH2-OE1 2.67Å; R32-E86 PolarHBondContact NH2-OE1 2.92Å
33R98.7Very high97.7Very high107 Ų10778.7 Ų78.740%0.40437%0.368SS..Hα-helixtrans-66.1-44.1173.8-79.9-177.8-90.4100.60.6111.5E29 D30 E31 L35 Q36 H37E29-R33 WeakPolarHBondContact O-CB 3.45Å; E29-R33 PolarHBondContact O-N 3.36Å; D30-R33 PolarHBondContact O-N 3.43Å; D30-R33 IonicContact OD1-CZ 2.71Å; D30-R33 IonicContact OD1-NH1 2.8Å; D30-R33 PolarHBondContact OD1-NH1 2.88Å; D30-R33 IonicContact OD1-NH2 3.47Å; D30-R33 PolarHBondContact OD1-NH2 2.91Å; E31-R33 VanDerWaalsContact C-N 3.32Å; E31-R33 PolarHBondContact O-N 3.35Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 2.94Å; R33-Q36 PolarHBondContact O-N 3.32Å; R33-H37 PolarHBondContact O-CD2 2.91Å; R33-H37 PolarHBondContact O-N 2.88Å
34A98.3Very high97.5Very high43 Ų4381.9 Ų81.936%0.35537%0.372SS..Hα-helixtrans-58.5-42.217500000112.2D30 E31 H37 L38 L78D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.31Å; E31-A34 PolarHBondContact O-N 3.47Å; A34-H37 PolarHBondContact O-N 3.07Å; A34-L38 WeakPolarHBondContact O-CB 3.4Å; A34-L38 PolarHBondContact O-N 3.08Å; A34-L78 HydrophobicContact CB-CD1 4.39Å; A34-L78 HydrophobicContact CB-CD2 4.43Å
35L98.4Very high97.1Very high22 Ų2283.2 Ų83.212%0.11538%0.379CS..Hα-helixtrans-63-44175.3178.564.5000112.1E31 R32 R33 L38 K39 T75 L78 E79 I82E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 PolarHBondContact O-N 2.99Å; R32-L35 PolarHBondContact O-N 3.27Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 2.94Å; L35-L38 PolarHBondContact O-N 2.68Å; L35-K39 HydrophobicContact CD1-CD 3.84Å; L35-K39 HydrophobicContact CD1-CG 4.19Å; L35-K39 HydrophobicContact CG-CD 3.89Å; L35-K39 WeakPolarHBondContact O-CB 3.22Å; L35-K39 VanDerWaalsContact O-CG 3.28Å; L35-K39 WeakPolarHBondContact O-CG 3.22Å; L35-K39 PolarHBondContact O-N 3.1Å; L35-T75 HydrophobicContact CD1-CG2 3.75Å; L35-L78 HydrophobicContact CB-CB 4.32Å; L35-L78 HydrophobicContact CB-CD1 4.38Å; L35-L78 HydrophobicContact CD1-CB 4.06Å; L35-E79 HydrophobicContact CD1-CG 3.78Å; L35-E79 HydrophobicContact CD2-CG 3.52Å; L35-E79 HydrophobicContact CG-CG 4.32Å; L35-I82 HydrophobicContact CB-CD1 3.95Å; L35-I82 HydrophobicContact CD2-CD1 3.62Å; L35-I82 HydrophobicContact CG-CD1 4.4Å
36Q98.4Very high96.8Very high138 Ų13882.8 Ų82.865%0.64538%0.377SS*.Hα-helixtrans-62.9-44175.5-75-178.9-11.800112R32 R33 K39 S40R32-Q36 WeakPolarHBondContact O-CG 3.38Å; R32-Q36 PolarHBondContact O-N 3.43Å; R33-Q36 PolarHBondContact O-N 3.32Å; Q36-K39 PolarHBondContact O-N 3.03Å; Q36-S40 WeakPolarHBondContact O-CB 3.46Å; Q36-S40 PolarHBondContact O-N 2.84Å
37H98.3Very high96.3Very high144 Ų14484.4 Ų84.467%0.66738%0.383SS*.Hα-helixtrans-61.2-44.5175.1-83.1-70.4000111.9R33 A34 S40 K41R33-H37 PolarHBondContact O-CD2 2.91Å; R33-H37 PolarHBondContact O-N 2.88Å; A34-H37 PolarHBondContact O-N 3.07Å; H37-S40 PolarHBondContact O-N 2.72Å; H37-K41 VanDerWaalsContact O-CB 3.32Å; H37-K41 WeakPolarHBondContact O-CB 3.49Å; H37-K41 PolarHBondContact O-N 2.82Å
38L97.5Very high95.7Very high23 Ų2386.9 Ų86.912%0.1240%0.399CS..Hα-helixtrans-62.5-47.9176.4-175.663000111A34 L35 S40 K41 V42 R74 T75 L78A34-L38 WeakPolarHBondContact O-CB 3.4Å; A34-L38 PolarHBondContact O-N 3.08Å; L35-L38 PolarHBondContact O-N 2.68Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.62Å; L38-K41 WeakPolarHBondContact O-CB 3.27Å; L38-K41 PolarHBondContact O-N 2.73Å; L38-K41 VanDerWaalsContact O-N 3.1Å; L38-V42 HydrophobicContact CD1-CG2 3.92Å; L38-V42 HydrophobicContact CG-CG2 4.14Å; L38-V42 WeakPolarHBondContact O-CB 3.36Å; L38-V42 VanDerWaalsContact O-CG2 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.26Å; L38-V42 PolarHBondContact O-N 2.73Å; L38-R74 HydrophobicContact CD2-CB 3.71Å; L38-T75 WeakPolarHBondContact CD2-OG1 2.91Å; L38-L78 HydrophobicContact CB-CD1 4.49Å; L38-L78 HydrophobicContact CD2-CD1 3.91Å
39K97.3Very high94.8Very high103 Ų10389.3 Ų89.345%0.44841%0.411SS..Hα-helixtrans-60.8-37.3178.1-69.7172.498.5144.50112.2L35 Q36 L43 T75 E79L35-K39 HydrophobicContact CD1-CD 3.84Å; L35-K39 HydrophobicContact CD1-CG 4.19Å; L35-K39 HydrophobicContact CG-CD 3.89Å; L35-K39 WeakPolarHBondContact O-CB 3.22Å; L35-K39 VanDerWaalsContact O-CG 3.28Å; L35-K39 WeakPolarHBondContact O-CG 3.22Å; L35-K39 PolarHBondContact O-N 3.1Å; Q36-K39 PolarHBondContact O-N 3.03Å; K39-L43 VanDerWaalsContact O-CB 3.25Å; K39-L43 WeakPolarHBondContact O-CB 3.41Å; K39-L43 PolarHBondContact O-N 3.15Å; K39-T75 HydrophobicContact CD-CG2 4.46Å; K39-T75 HydrophobicContact CG-CG2 4.27Å; K39-E79 IonicContact NZ-OE1 3.36Å; K39-E79 PolarHBondContact NZ-OE1 3.21Å
40S97.4Very high93.8Very high63 Ų6390.2 Ų90.244%0.44142%0.416SS..Hα-helixtrans-68-41.1173-174.90000112.8Q36 H37 L38 R44Q36-S40 WeakPolarHBondContact O-CB 3.46Å; Q36-S40 PolarHBondContact O-N 2.84Å; H37-S40 PolarHBondContact O-N 2.72Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.62Å; S40-R44 WeakPolarHBondContact O-CB 3.41Å; S40-R44 PolarHBondContact O-N 3.35Å
41K96.6Very high92.4Very high90 Ų9089.3 Ų89.339%0.39142%0.416SS..Hα-helixtrans-62.8-53.5176.8-175.1-166.1167.6-1530111H37 L38 L43 R44 E45H37-K41 VanDerWaalsContact O-CB 3.32Å; H37-K41 WeakPolarHBondContact O-CB 3.49Å; H37-K41 PolarHBondContact O-N 2.82Å; L38-K41 WeakPolarHBondContact O-CB 3.27Å; L38-K41 PolarHBondContact O-N 2.73Å; L38-K41 VanDerWaalsContact O-N 3.1Å; K41-L43 VanDerWaalsContact C-N 3.32Å; K41-L43 PolarHBondContact O-N 2.74Å; K41-R44 WeakPolarHBondContact O-CB 3.46Å; K41-R44 PolarHBondContact O-N 3.36Å; K41-R44 VanDerWaalsContact O-N 3.08Å; K41-E45 WeakPolarHBondContact CE-OE1 3.28Å; K41-E45 WeakPolarHBondContact CE-OE2 3.47Å; K41-E45 IonicContact NZ-OE1 3.49Å; K41-E45 IonicContact NZ-OE2 3.16Å; K41-E45 PolarHBondContact O-N 2.8Å
42V94.8Very high90.5Very high26 Ų2695.3 Ų95.316%0.15846%0.457CS..Hα-helixtrans-60.8-40.9180175.20000111.4L38 E45 R46 D71L38-V42 HydrophobicContact CD1-CG2 3.92Å; L38-V42 HydrophobicContact CG-CG2 4.14Å; L38-V42 WeakPolarHBondContact O-CB 3.36Å; L38-V42 VanDerWaalsContact O-CG2 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.26Å; L38-V42 PolarHBondContact O-N 2.73Å; V42-E45 PolarHBondContact O-N 2.93Å; V42-R46 VanDerWaalsContact O-CB 3.28Å; V42-R46 WeakPolarHBondContact O-CB 3.5Å; V42-R46 PolarHBondContact O-N 2.82Å; V42-D71 HydrophobicContact CG1-CB 4.48Å; V42-D71 HydrophobicContact CG2-CB 3.58Å
43L94.1Very high88.5Confident99 Ų9993.9 Ų93.952%0.51847%0.471SS..Hα-helixtrans-61.4-47.1174-175.465.3000111K39 K41 E45 R46 W47K39-L43 VanDerWaalsContact O-CB 3.25Å; K39-L43 WeakPolarHBondContact O-CB 3.41Å; K39-L43 PolarHBondContact O-N 3.15Å; K41-L43 VanDerWaalsContact C-N 3.32Å; K41-L43 PolarHBondContact O-N 2.74Å; L43-E45 PolarHBondContact O-N 3.21Å; L43-R46 PolarHBondContact O-N 2.88Å; L43-W47 PolarHBondContact O-N 3.02Å
44R93.7Very high86.4Confident169 Ų16991 Ų9164%0.63848%0.475SS*.Hα-helixtrans-59.7-47.2177.2-175-169-55.7-128.5-1.7111.8S40 K41 W47 L48S40-R44 WeakPolarHBondContact O-CB 3.41Å; S40-R44 PolarHBondContact O-N 3.35Å; K41-R44 WeakPolarHBondContact O-CB 3.46Å; K41-R44 PolarHBondContact O-N 3.36Å; K41-R44 VanDerWaalsContact O-N 3.08Å; R44-W47 PolarHBondContact O-N 3.08Å; R44-L48 HydrophobicContact CG-CD1 4.21Å; R44-L48 WeakPolarHBondContact O-CG 3.36Å; R44-L48 PolarHBondContact O-N 2.86Å
45E89.8Confident84.5Confident67 Ų6794 Ų9431%0.31349%0.491SS..Hα-helixtrans-64.2-41.9-179.9-73.2170.6156.800111.2K41 V42 L43 W47 L48 L49K41-E45 WeakPolarHBondContact CE-OE1 3.28Å; K41-E45 WeakPolarHBondContact CE-OE2 3.47Å; K41-E45 IonicContact NZ-OE1 3.49Å; K41-E45 IonicContact NZ-OE2 3.16Å; K41-E45 PolarHBondContact O-N 2.8Å; V42-E45 PolarHBondContact O-N 2.93Å; L43-E45 PolarHBondContact O-N 3.21Å; E45-W47 PolarHBondContact O-N 3.34Å; E45-L48 PolarHBondContact O-N 2.91Å; E45-L49 WeakPolarHBondContact O-CD1 3.46Å; E45-L49 VanDerWaalsContact O-CG 3.32Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 2.99Å
46R89.8Confident82.4Confident112 Ų11297.2 Ų97.242%0.42351%0.508SS..Hα-helixtrans-58.7-43.2171.5-173-178.7177.4-64.5-19112.4V42 L43 L49 E50V42-R46 VanDerWaalsContact O-CB 3.28Å; V42-R46 WeakPolarHBondContact O-CB 3.5Å; V42-R46 PolarHBondContact O-N 2.82Å; L43-R46 PolarHBondContact O-N 2.88Å; R46-L49 PolarHBondContact O-N 3Å; R46-E50 IonicContact CZ-OE1 3.08Å; R46-E50 IonicContact CZ-OE2 3.83Å; R46-E50 IonicContact NH1-OE2 3.78Å; R46-E50 PolarHBondContact NH1-OE2 3.26Å; R46-E50 VanDerWaalsContact NH2-CD 3.26Å; R46-E50 IonicContact NH2-OE1 3.58Å; R46-E50 PolarHBondContact NH2-OE1 3.27Å; R46-E50 IonicContact NH2-OE2 3.36Å; R46-E50 PolarHBondContact NH2-OE2 3.47Å; R46-E50 WeakPolarHBondContact O-CB 3.4Å; R46-E50 PolarHBondContact O-N 3.34Å
47W87.8Confident80.4Confident182 Ų182100.1 Ų100.169%0.68952%0.521SS*.Hα-helixtrans-68.3-32.6176.8-87.976.9000113.3L43 R44 E45 L49L43-W47 PolarHBondContact O-N 3.02Å; R44-W47 PolarHBondContact O-N 3.08Å; E45-W47 PolarHBondContact O-N 3.34Å; W47-L49 VanDerWaalsContact C-N 3.33Å
48L86.6Confident78.6Confident132 Ų132100.3 Ų100.369%0.69153%0.527SS*.Hα-helixtrans-68.4-33.6173.3-71169.2000111.9R44 E45R44-L48 HydrophobicContact CG-CD1 4.21Å; R44-L48 WeakPolarHBondContact O-CG 3.36Å; R44-L48 PolarHBondContact O-N 2.86Å; E45-L48 PolarHBondContact O-N 2.91Å
49L80Confident77.3Confident64 Ų64104 Ų10434%0.33554%0.544SS..Hα-helixtrans-80-28.8178.6-70.9162.5000113.9E45 R46 W47 G51 V64E45-L49 WeakPolarHBondContact O-CD1 3.46Å; E45-L49 VanDerWaalsContact O-CG 3.32Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 2.99Å; R46-L49 PolarHBondContact O-N 3Å; W47-L49 VanDerWaalsContact C-N 3.33Å; L49-G51 VanDerWaalsContact C-N 3.35Å; L49-V64 HydrophobicContact CD1-CG1 3.87Å; L49-V64 HydrophobicContact CD2-CG1 4.19Å; L49-V64 HydrophobicContact CD2-CG2 4.18Å
50E76.4Confident76.5Confident124 Ų124102.6 Ų102.658%0.57954%0.542SS*.SBendtrans-95.118.8-177.7-157.6166.3-13700113.2R46R46-E50 IonicContact CZ-OE1 3.08Å; R46-E50 IonicContact CZ-OE2 3.83Å; R46-E50 IonicContact NH1-OE2 3.78Å; R46-E50 PolarHBondContact NH1-OE2 3.26Å; R46-E50 VanDerWaalsContact NH2-CD 3.26Å; R46-E50 IonicContact NH2-OE1 3.58Å; R46-E50 PolarHBondContact NH2-OE1 3.27Å; R46-E50 IonicContact NH2-OE2 3.36Å; R46-E50 PolarHBondContact NH2-OE2 3.47Å; R46-E50 WeakPolarHBondContact O-CB 3.4Å; R46-E50 PolarHBondContact O-N 3.34Å
51G70.3Confident75.7Confident24 Ų24103.6 Ų103.625%0.24755%0.546CS..SBendtrans-66.6164.3179.200000114.6L49 A53 G54L49-G51 VanDerWaalsContact C-N 3.35Å; G51-A53 CarbonylContact O-C 3.5Å; G51-A53 VanDerWaalsContact O-C 3.22Å; G51-A53 PolarHBondContact O-N 3.27Å; G51-G54 PolarHBondContact O-N 3.37Å
52P57.4Low75.2Confident149 Ų149104.8 Ų104.897%0.96856%0.557SS**SBendtrans-68.6-19.4-176.627.3-35.1000114G54P52-G54 PolarHBondContact O-N 2.75Å
53A56.7Low74.8Confident91 Ų91110.3 Ų110.375%0.75258%0.581SS**SBendtrans-79.596.4152.900000106.5G51G51-A53 CarbonylContact O-C 3.5Å; G51-A53 VanDerWaalsContact O-C 3.22Å; G51-A53 PolarHBondContact O-N 3.27Å
54G55.4Low74.4Confident46 Ų46107.7 Ų107.747%0.47457%0.569SS.*  trans-55.5169.1175.800000112G51 P52 D56G51-G54 PolarHBondContact O-N 3.37Å; P52-G54 PolarHBondContact O-N 2.75Å; G54-D56 PolarHBondContact O-N 3.31Å; G54-D56 VanDerWaalsContact O-N 3.1Å
55P57.7Low74Confident106 Ų106105.7 Ų105.769%0.68857%0.567SS**SBendtrans-43.7119.5-164.118-33.1000111.2Q57P55-Q57 PolarHBondContact O-N 3.37Å
56D54.7Low74.1Confident90 Ų90106.1 Ų106.148%0.48158%0.577SS.*  trans-48.1130.7-179.6-172-48.6000107.9G54 N58 Q59G54-D56 PolarHBondContact O-N 3.31Å; G54-D56 VanDerWaalsContact O-N 3.1Å; D56-N58 PolarHBondContact O-N 3.03Å; D56-N58 WeakPolarHBondContact OD1-CB 3.38Å; D56-N58 PolarHBondContact OD1-N 3.37Å; D56-N58 PolarHBondContact OD1-ND2 3.1Å; D56-Q59 PolarHBondContact O-N 2.75Å
57Q56.3Low74.1Confident198 Ų198104.8 Ų104.893%0.92558%0.576SS**THydrogen-bonded Turntrans-62.1-5.6-172.7-166.3163.297.800113.1P55P55-Q57 PolarHBondContact O-N 3.37Å
58N60.8Low74.3Confident148 Ų148100.7 Ų100.779%0.79157%0.567SS**THydrogen-bonded Turntrans-97-5.3173.3-56-77.8000114.9D56D56-N58 PolarHBondContact O-N 3.03Å; D56-N58 WeakPolarHBondContact OD1-CB 3.38Å; D56-N58 PolarHBondContact OD1-N 3.37Å; D56-N58 PolarHBondContact OD1-ND2 3.1Å
59Q69.4Low74.6Confident100 Ų100100.7 Ų100.747%0.46756%0.563SS.*SBendtrans-95.8125.7173-80.8-174.865.200111.3D56 V64D56-Q59 PolarHBondContact O-N 2.75Å; Q59-V64 HydrophobicContact CB-CG2 4.47Å
60D80.8Confident75.4Confident75 Ų75101.5 Ų101.540%0.40157%0.565SS.*  trans-71.8122.9176.5-168.6-37.7000110D62 Q63 V64D60-D62 PolarHBondContact O-N 3.26Å; D60-D62 WeakPolarHBondContact OD1-CB 3.39Å; D60-D62 PolarHBondContact OD1-N 3.44Å; D60-Q63 HydrophobicContact CB-CB 4.21Å; D60-Q63 HydrophobicContact CB-CG 4.34Å; D60-Q63 PolarHBondContact O-N 3.34Å; D60-Q63 VanDerWaalsContact O-N 3.1Å; D60-V64 PolarHBondContact O-N 3.44Å
61P80.8Confident76.3Confident83 Ų8395.8 Ų95.854%0.53954%0.539SS..Hα-helixtrans-60.3-26.3179.826.2-35.7000113.1V64 Q65P61-V64 PolarHBondContact O-N 3.32Å; P61-Q65 WeakPolarHBondContact O-CG 3.42Å; P61-Q65 PolarHBondContact O-N 3.04Å; P61-Q65 VanDerWaalsContact O-N 3.08Å
62D85.4Confident77.5Confident115 Ų11599.4 Ų99.462%0.61555%0.549SS*.Hα-helixtrans-75.4-33.1178.2-66.9-9.1000111D60 S66D60-D62 PolarHBondContact O-N 3.26Å; D60-D62 WeakPolarHBondContact OD1-CB 3.39Å; D60-D62 PolarHBondContact OD1-N 3.44Å; D62-S66 VanDerWaalsContact O-CB 3.32Å; D62-S66 WeakPolarHBondContact O-CB 2.95Å; D62-S66 PolarHBondContact O-N 2.96Å
63Q86.5Confident79.4Confident143 Ų14394.1 Ų94.167%0.66852%0.518SS*.Hα-helixtrans-65.8-42.2170.5-86.6178.883.400111.7D60 Q65 S66 Q67D60-Q63 HydrophobicContact CB-CB 4.21Å; D60-Q63 HydrophobicContact CB-CG 4.34Å; D60-Q63 PolarHBondContact O-N 3.34Å; D60-Q63 VanDerWaalsContact O-N 3.1Å; Q63-Q65 PolarHBondContact O-N 2.94Å; Q63-S66 PolarHBondContact O-N 3.34Å; Q63-Q67 PolarHBondContact O-N 3.42Å
64V85.3Confident81.3Confident43 Ų4394.4 Ų94.426%0.26150%0.5SS..Hα-helixtrans-64.2-41.4179.1177.70000111.1L49 Q59 D60 P61 L68L49-V64 HydrophobicContact CD1-CG1 3.87Å; L49-V64 HydrophobicContact CD2-CG1 4.19Å; L49-V64 HydrophobicContact CD2-CG2 4.18Å; Q59-V64 HydrophobicContact CB-CG2 4.47Å; D60-V64 PolarHBondContact O-N 3.44Å; P61-V64 PolarHBondContact O-N 3.32Å; V64-L68 PolarHBondContact O-N 2.83Å
65Q87.1Confident83.4Confident128 Ų12893.2 Ų93.260%0.59848%0.483SS*.Hα-helixtrans-65.5-44.4173.9-73.6178.553.500112.1P61 Q63 Q67 L68 E69P61-Q65 WeakPolarHBondContact O-CG 3.42Å; P61-Q65 PolarHBondContact O-N 3.04Å; P61-Q65 VanDerWaalsContact O-N 3.08Å; Q63-Q65 PolarHBondContact O-N 2.94Å; Q65-Q67 VanDerWaalsContact C-N 3.32Å; Q65-Q67 PolarHBondContact O-N 2.78Å; Q65-L68 PolarHBondContact O-N 3.06Å; Q65-E69 PolarHBondContact O-N 3.24Å
66S91.4Very high85.3Confident75 Ų7593.3 Ų93.352%0.52447%0.47SS..Hα-helixtrans-61.9-37177.6-1750000112.8D62 Q63 E70D62-S66 VanDerWaalsContact O-CB 3.32Å; D62-S66 WeakPolarHBondContact O-CB 2.95Å; D62-S66 PolarHBondContact O-N 2.96Å; Q63-S66 PolarHBondContact O-N 3.34Å; S66-E70 WeakPolarHBondContact O-CB 3.44Å; S66-E70 PolarHBondContact O-N 3Å
67Q90.4Very high87.4Confident85 Ų8593.4 Ų93.440%0.39747%0.474SS..Hα-helixtrans-68-42.8176.9-172.459.578.300111.1Q63 Q65 E70 D71Q63-Q67 PolarHBondContact O-N 3.42Å; Q65-Q67 VanDerWaalsContact C-N 3.32Å; Q65-Q67 PolarHBondContact O-N 2.78Å; Q67-E70 PolarHBondContact NE2-OE2 3.42Å; Q67-E70 PolarHBondContact O-N 3.36Å; Q67-D71 PolarHBondContact NE2-OD2 3.5Å; Q67-D71 PolarHBondContact O-N 3.46Å
68L90.4Very high89.4Confident95 Ų9586 Ų8650%0.49744%0.44SS..Hα-helixtrans-62.6-42.5176.8-17864.3000112.1V64 Q65 D71 E72V64-L68 PolarHBondContact O-N 2.83Å; Q65-L68 PolarHBondContact O-N 3.06Å; L68-D71 PolarHBondContact O-N 3.03Å; L68-E72 WeakPolarHBondContact O-CB 3.3Å; L68-E72 PolarHBondContact O-N 2.83Å
69E93.9Very high91.1Very high132 Ų13281.8 Ų81.862%0.61742%0.416SS*.Hα-helixtrans-66.3-39176.5-176170.9-154.400111.9Q65 E72 A73Q65-E69 PolarHBondContact O-N 3.24Å; E69-E72 PolarHBondContact O-N 3.1Å; E69-A73 WeakPolarHBondContact O-CB 3.46Å; E69-A73 PolarHBondContact O-N 3.25Å
70E95.8Very high92.5Very high81 Ų8183.1 Ų83.138%0.37942%0.422SS..Hα-helixtrans-61.6-44.9173.8-168-167.1-164.100111.3S66 Q67 A73 R74S66-E70 WeakPolarHBondContact O-CB 3.44Å; S66-E70 PolarHBondContact O-N 3Å; Q67-E70 PolarHBondContact NE2-OE2 3.42Å; Q67-E70 PolarHBondContact O-N 3.36Å; E70-A73 WeakPolarHBondContact O-CB 3.33Å; E70-A73 PolarHBondContact O-N 3.02Å; E70-R74 WeakPolarHBondContact O-CB 3.38Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.41Å; E70-R74 PolarHBondContact O-N 3.32Å; E70-R74 IonicContact OE1-CZ 2.68Å; E70-R74 VanDerWaalsContact OE1-CZ 3.24Å; E70-R74 IonicContact OE1-NE 2.68Å; E70-R74 PolarHBondContact OE1-NE 3.22Å; E70-R74 IonicContact OE1-NH2 3.74Å; E70-R74 PolarHBondContact OE1-NH2 3.08Å; E70-R74 IonicContact OE2-CZ 2.73Å; E70-R74 IonicContact OE2-NE 3.45Å; E70-R74 IonicContact OE2-NH1 3.17Å; E70-R74 PolarHBondContact OE2-NH1 2.81Å; E70-R74 IonicContact OE2-NH2 3.58Å; E70-R74 PolarHBondContact OE2-NH2 3.4Å
71D95.5Very high93.4Very high4 Ų480.4 Ų80.42%0.02141%0.409CS..Hα-helixtrans-72.4-31.8-179.8-73.8-44.8000113.1V42 Q67 L68 R74 T75V42-D71 HydrophobicContact CG1-CB 4.48Å; V42-D71 HydrophobicContact CG2-CB 3.58Å; Q67-D71 PolarHBondContact NE2-OD2 3.5Å; Q67-D71 PolarHBondContact O-N 3.46Å; L68-D71 PolarHBondContact O-N 3.03Å; D71-R74 WeakPolarHBondContact OD1-CD 3.45Å; D71-R74 IonicContact OD1-CZ 3.66Å; D71-R74 IonicContact OD1-NH1 2.93Å; D71-R74 PolarHBondContact OD1-NH1 3.21Å; D71-T75 WeakPolarHBondContact O-CB 3.22Å; D71-T75 PolarHBondContact O-N 2.96Å; D71-T75 PolarHBondContact O-OG1 2.8Å
72E95.5Very high94.2Very high100 Ų10077 Ų7747%0.46739%0.386SS..Hα-helixtrans-65.2-41.3167.3-160.2-157.8150.200111L68 E69 T75 R76L68-E72 WeakPolarHBondContact O-CB 3.3Å; L68-E72 PolarHBondContact O-N 2.83Å; E69-E72 PolarHBondContact O-N 3.1Å; E72-T75 PolarHBondContact O-N 3.01Å; E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.43Å; E72-R76 PolarHBondContact O-N 2.65Å; E72-R76 PolarHBondContact O-NE 3.45Å; E72-R76 VanDerWaalsContact O-NE 3.14Å; E72-R76 IonicContact OE1-CZ 2.99Å; E72-R76 IonicContact OE1-NE 3.12Å; E72-R76 IonicContact OE1-NH1 3.75Å; E72-R76 PolarHBondContact OE1-NH1 3.08Å; E72-R76 IonicContact OE1-NH2 3.24Å; E72-R76 IonicContact OE2-CZ 3.87Å; E72-R76 IonicContact OE2-NH1 3.58Å; E72-R76 IonicContact OE2-NH2 2.68Å
73A97.6Very high94.8Very high39 Ų3978.3 Ų78.332%0.32238%0.383SS..Hα-helixtrans-62.3-48.7174.600000111.8E69 E70 T75 R76 T77E69-A73 WeakPolarHBondContact O-CB 3.46Å; E69-A73 PolarHBondContact O-N 3.25Å; E70-A73 WeakPolarHBondContact O-CB 3.33Å; E70-A73 PolarHBondContact O-N 3.02Å; A73-T75 VanDerWaalsContact C-N 3.3Å; A73-T75 PolarHBondContact O-N 3.25Å; A73-R76 PolarHBondContact O-N 2.9Å; A73-R76 VanDerWaalsContact O-N 3.15Å; A73-T77 PolarHBondContact O-N 2.99Å; A73-T77 PolarHBondContact O-OG1 3.32Å; A73-T77 VanDerWaalsContact O-OG1 3.1Å
74R97.5Very high95.4Very high97 Ų9777.8 Ų77.837%0.36638%0.375SS..Hα-helixtrans-56.9-42174.9-71.3163.9173.3171.7-0.3111.9L38 E70 D71 T77 L78L38-R74 HydrophobicContact CD2-CB 3.71Å; E70-R74 WeakPolarHBondContact O-CB 3.38Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.41Å; E70-R74 PolarHBondContact O-N 3.32Å; E70-R74 IonicContact OE1-CZ 2.68Å; E70-R74 VanDerWaalsContact OE1-CZ 3.24Å; E70-R74 IonicContact OE1-NE 2.68Å; E70-R74 PolarHBondContact OE1-NE 3.22Å; E70-R74 IonicContact OE1-NH2 3.74Å; E70-R74 PolarHBondContact OE1-NH2 3.08Å; E70-R74 IonicContact OE2-CZ 2.73Å; E70-R74 IonicContact OE2-NE 3.45Å; E70-R74 IonicContact OE2-NH1 3.17Å; E70-R74 PolarHBondContact OE2-NH1 2.81Å; E70-R74 IonicContact OE2-NH2 3.58Å; E70-R74 PolarHBondContact OE2-NH2 3.4Å; D71-R74 WeakPolarHBondContact OD1-CD 3.45Å; D71-R74 IonicContact OD1-CZ 3.66Å; D71-R74 IonicContact OD1-NH1 2.93Å; D71-R74 PolarHBondContact OD1-NH1 3.21Å; R74-T77 PolarHBondContact O-N 2.86Å; R74-L78 PolarHBondContact O-N 2.91Å
75T97.9Very high96Very high20 Ų2076.3 Ų76.312%0.12337%0.365CS..Hα-helixtrans-62.1-48.5175.3-59.20000110.9L35 L38 K39 D71 E72 A73 T77 L78 E79L35-T75 HydrophobicContact CD1-CG2 3.75Å; L38-T75 WeakPolarHBondContact CD2-OG1 2.91Å; K39-T75 HydrophobicContact CD-CG2 4.46Å; K39-T75 HydrophobicContact CG-CG2 4.27Å; D71-T75 WeakPolarHBondContact O-CB 3.22Å; D71-T75 PolarHBondContact O-N 2.96Å; D71-T75 PolarHBondContact O-OG1 2.8Å; E72-T75 PolarHBondContact O-N 3.01Å; A73-T75 VanDerWaalsContact C-N 3.3Å; A73-T75 PolarHBondContact O-N 3.25Å; T75-T77 PolarHBondContact O-N 3.27Å; T75-L78 PolarHBondContact O-N 3.25Å; T75-E79 WeakPolarHBondContact O-CB 3.32Å; T75-E79 WeakPolarHBondContact O-CG 3.25Å; T75-E79 PolarHBondContact O-N 3.19Å
76R98.1Very high96.5Very high108 Ų10873.2 Ų73.241%0.40835%0.351SS..Hα-helixtrans-60.4-41.1177.3-73.2175.1-69.9-160.47.3112.3E72 A73 E79 E80E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.43Å; E72-R76 PolarHBondContact O-N 2.65Å; E72-R76 PolarHBondContact O-NE 3.45Å; E72-R76 VanDerWaalsContact O-NE 3.14Å; E72-R76 IonicContact OE1-CZ 2.99Å; E72-R76 IonicContact OE1-NE 3.12Å; E72-R76 IonicContact OE1-NH1 3.75Å; E72-R76 PolarHBondContact OE1-NH1 3.08Å; E72-R76 IonicContact OE1-NH2 3.24Å; E72-R76 IonicContact OE2-CZ 3.87Å; E72-R76 IonicContact OE2-NH1 3.58Å; E72-R76 IonicContact OE2-NH2 2.68Å; A73-R76 PolarHBondContact O-N 2.9Å; A73-R76 VanDerWaalsContact O-N 3.15Å; R76-E79 PolarHBondContact O-N 3.1Å; R76-E80 WeakPolarHBondContact O-CB 3.47Å; R76-E80 PolarHBondContact O-N 3.37Å
77T98.3Very high96.8Very high92 Ų9276.7 Ų76.756%0.56436%0.358SS*.Hα-helixtrans-63.8-43.8176.4-58.40000112.4A73 R74 T75 E80 S81A73-T77 PolarHBondContact O-N 2.99Å; A73-T77 PolarHBondContact O-OG1 3.32Å; A73-T77 VanDerWaalsContact O-OG1 3.1Å; R74-T77 PolarHBondContact O-N 2.86Å; T75-T77 PolarHBondContact O-N 3.27Å; T77-E80 PolarHBondContact O-N 3.34Å; T77-S81 PolarHBondContact O-N 2.95Å
78L98.3Very high97.1Very high42 Ų4275.4 Ų75.422%0.2235%0.352CS..Hα-helixtrans-64.7-43.9174.6-73.8172.3000111.4A34 L35 L38 R74 T75 E80 S81 I82A34-L78 HydrophobicContact CB-CD1 4.39Å; A34-L78 HydrophobicContact CB-CD2 4.43Å; L35-L78 HydrophobicContact CB-CB 4.32Å; L35-L78 HydrophobicContact CB-CD1 4.38Å; L35-L78 HydrophobicContact CD1-CB 4.06Å; L38-L78 HydrophobicContact CB-CD1 4.49Å; L38-L78 HydrophobicContact CD2-CD1 3.91Å; R74-L78 PolarHBondContact O-N 2.91Å; T75-L78 PolarHBondContact O-N 3.25Å; L78-E80 VanDerWaalsContact C-N 3.28Å; L78-E80 PolarHBondContact O-N 2.86Å; L78-S81 PolarHBondContact O-N 2.91Å; L78-I82 WeakPolarHBondContact O-CB 3.45Å; L78-I82 WeakPolarHBondContact O-CD1 3.42Å; L78-I82 VanDerWaalsContact O-CG1 3.24Å; L78-I82 WeakPolarHBondContact O-CG1 3.32Å; L78-I82 PolarHBondContact O-N 2.89Å
79E98Very high97.3Very high61 Ų6171.3 Ų71.329%0.28533%0.332SS..Hα-helixtrans-63.9-30.6176.8-73.9177.5174.300112.9L35 K39 T75 R76 R83L35-E79 HydrophobicContact CD1-CG 3.78Å; L35-E79 HydrophobicContact CD2-CG 3.52Å; L35-E79 HydrophobicContact CG-CG 4.32Å; K39-E79 IonicContact NZ-OE1 3.36Å; K39-E79 PolarHBondContact NZ-OE1 3.21Å; T75-E79 WeakPolarHBondContact O-CB 3.32Å; T75-E79 WeakPolarHBondContact O-CG 3.25Å; T75-E79 PolarHBondContact O-N 3.19Å; R76-E79 PolarHBondContact O-N 3.1Å; E79-R83 WeakPolarHBondContact O-CG 3.46Å; E79-R83 PolarHBondContact O-N 3.16Å; E79-R83 PolarHBondContact O-NE 3.19Å
80E98.5Very high97.4Very high128 Ų12868 Ų6860%0.59832%0.323SS*.Hα-helixtrans-74.6-43.6172.3-175.8169.4-161.300112.5R76 T77 L78 I82 R83 R84R76-E80 WeakPolarHBondContact O-CB 3.47Å; R76-E80 PolarHBondContact O-N 3.37Å; T77-E80 PolarHBondContact O-N 3.34Å; L78-E80 VanDerWaalsContact C-N 3.28Å; L78-E80 PolarHBondContact O-N 2.86Å; E80-I82 PolarHBondContact O-N 3.07Å; E80-R83 PolarHBondContact O-N 2.82Å; E80-R84 PolarHBondContact O-N 3.39Å
81S98.4Very high97.3Very high18 Ų1867.6 Ų67.613%0.12633%0.329CS..Hα-helixtrans-64.8-39.7177.9-172.50000112E31 T77 L78 R84 L85E31-S81 VanDerWaalsContact CD-OG 3.32Å; E31-S81 PolarHBondContact OE1-OG 3.39Å; E31-S81 WeakPolarHBondContact OE2-CB 3.28Å; E31-S81 PolarHBondContact OE2-OG 3.1Å; T77-S81 PolarHBondContact O-N 2.95Å; L78-S81 PolarHBondContact O-N 2.91Å; S81-R84 PolarHBondContact O-N 2.83Å; S81-R84 PolarHBondContact OG-NH2 3.32Å; S81-L85 WeakPolarHBondContact O-CB 3.41Å; S81-L85 WeakPolarHBondContact O-CG 3.42Å; S81-L85 PolarHBondContact O-N 2.86Å
82I98.6Very high97Very high10 Ų1068.8 Ų68.85%0.05134%0.335CS..Hα-helixtrans-59-49.3171.6-69.4161.5000110.8E31 R32 L35 L78 E80 R84 L85 E86E31-I82 HydrophobicContact CB-CD1 4.33Å; E31-I82 HydrophobicContact CB-CG1 3.74Å; R32-I82 HydrophobicContact CG-CD1 4.03Å; R32-I82 HydrophobicContact CG-CG1 4.28Å; R32-I82 HydrophobicContact CG-CG2 4.08Å; L35-I82 HydrophobicContact CB-CD1 3.95Å; L35-I82 HydrophobicContact CD2-CD1 3.62Å; L35-I82 HydrophobicContact CG-CD1 4.4Å; L78-I82 WeakPolarHBondContact O-CB 3.45Å; L78-I82 WeakPolarHBondContact O-CD1 3.42Å; L78-I82 VanDerWaalsContact O-CG1 3.24Å; L78-I82 WeakPolarHBondContact O-CG1 3.32Å; L78-I82 PolarHBondContact O-N 2.89Å; E80-I82 PolarHBondContact O-N 3.07Å; I82-R84 VanDerWaalsContact C-N 3.3Å; I82-R84 PolarHBondContact O-N 2.94Å; I82-L85 PolarHBondContact O-N 3.31Å; I82-L85 VanDerWaalsContact O-N 3.15Å; I82-E86 HydrophobicContact CG2-CG 4.22Å; I82-E86 WeakPolarHBondContact CG2-OE1 3.49Å; I82-E86 WeakPolarHBondContact O-CB 3.43Å; I82-E86 VanDerWaalsContact O-CG 3.27Å; I82-E86 WeakPolarHBondContact O-CG 3.25Å; I82-E86 PolarHBondContact O-N 2.99Å
83R98.5Very high96.7Very high144 Ų14466.8 Ų66.854%0.54333%0.326SS..Hα-helixtrans-59.5-39.6178-81.6176.1-75.8149.2-4.8112.7E79 E80 Q87E79-R83 WeakPolarHBondContact O-CG 3.46Å; E79-R83 PolarHBondContact O-N 3.16Å; E79-R83 PolarHBondContact O-NE 3.19Å; E80-R83 PolarHBondContact O-N 2.82Å; R83-Q87 PolarHBondContact O-N 3.08Å; R83-Q87 VanDerWaalsContact O-N 3.08Å
84R98.4Very high95.9Very high132 Ų13269.2 Ų69.250%0.49834%0.337SS..Hα-helixtrans-64.1-48.2173.6174.7-170.758.5162.5-3111.2E80 S81 I82 E86 Q87 E88E80-R84 PolarHBondContact O-N 3.39Å; S81-R84 PolarHBondContact O-N 2.83Å; S81-R84 PolarHBondContact OG-NH2 3.32Å; I82-R84 VanDerWaalsContact C-N 3.3Å; I82-R84 PolarHBondContact O-N 2.94Å; R84-E86 VanDerWaalsContact C-N 3.35Å; R84-E86 PolarHBondContact O-N 3.46Å; R84-Q87 PolarHBondContact O-N 3.35Å; R84-E88 WeakPolarHBondContact CG-OE1 3.45Å; R84-E88 WeakPolarHBondContact O-CG 3.42Å; R84-E88 PolarHBondContact O-N 2.67Å
85L98.1Very high94.7Very high11 Ų1165.8 Ų65.86%0.05833%0.332CS..Hα-helixtrans-64-38.9179-74.2170.7000112.2Q27 L28 E31 S81 I82 Q87 E88 V89Q27-L85 HydrophobicContact CB-CD1 4.39Å; Q27-L85 HydrophobicContact CG-CD1 3.69Å; Q27-L85 HydrophobicContact CG-CD2 4.28Å; L28-L85 HydrophobicContact CB-CB 4.1Å; L28-L85 HydrophobicContact CB-CD1 4.37Å; L28-L85 HydrophobicContact CD1-CB 4.28Å; L28-L85 HydrophobicContact CG-CB 4.34Å; E31-L85 VanDerWaalsContact CD-CD1 3.44Å; E31-L85 HydrophobicContact CG-CD1 4.39Å; E31-L85 WeakPolarHBondContact OE1-CD1 3.47Å; E31-L85 WeakPolarHBondContact OE2-CD1 3.37Å; S81-L85 WeakPolarHBondContact O-CB 3.41Å; S81-L85 WeakPolarHBondContact O-CG 3.42Å; S81-L85 PolarHBondContact O-N 2.86Å; I82-L85 PolarHBondContact O-N 3.31Å; I82-L85 VanDerWaalsContact O-N 3.15Å; L85-Q87 VanDerWaalsContact C-N 3.35Å; L85-E88 PolarHBondContact O-N 2.91Å; L85-V89 WeakPolarHBondContact O-CB 3.45Å; L85-V89 VanDerWaalsContact O-CG2 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.41Å; L85-V89 PolarHBondContact O-N 3.5Å
86E97.4Very high93Very high64 Ų6467.7 Ų67.730%0.29934%0.341SS..Hα-helixtrans-57.3-48.4172.1-75.3168.8167.900110.4L28 R32 I82 R84 V89 S90L28-E86 HydrophobicContact CD1-CB 4.32Å; L28-E86 HydrophobicContact CD1-CG 3.66Å; L28-E86 HydrophobicContact CG-CG 4.26Å; R32-E86 IonicContact CZ-OE1 3.22Å; R32-E86 IonicContact NE-OE1 3.48Å; R32-E86 PolarHBondContact NE-OE1 2.93Å; R32-E86 IonicContact NH2-OE1 2.67Å; R32-E86 PolarHBondContact NH2-OE1 2.92Å; I82-E86 HydrophobicContact CG2-CG 4.22Å; I82-E86 WeakPolarHBondContact CG2-OE1 3.49Å; I82-E86 WeakPolarHBondContact O-CB 3.43Å; I82-E86 VanDerWaalsContact O-CG 3.27Å; I82-E86 WeakPolarHBondContact O-CG 3.25Å; I82-E86 PolarHBondContact O-N 2.99Å; R84-E86 VanDerWaalsContact C-N 3.35Å; R84-E86 PolarHBondContact O-N 3.46Å; E86-V89 PolarHBondContact O-N 2.93Å; E86-S90 PolarHBondContact O-N 3.26Å; E86-S90 PolarHBondContact O-OG 3.49Å
87Q97.8Very high91.2Very high147 Ų14766.4 Ų66.469%0.68735%0.345SS*.Hα-helixtrans-63.8-40.9175.8-172.6173.539.800112.5R83 R84 L85 S91R83-Q87 PolarHBondContact O-N 3.08Å; R83-Q87 VanDerWaalsContact O-N 3.08Å; R84-Q87 PolarHBondContact O-N 3.35Å; L85-Q87 VanDerWaalsContact C-N 3.35Å; Q87-S91 VanDerWaalsContact O-CB 3.25Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.39Å; Q87-S91 PolarHBondContact O-OG 2.77Å
88E95.7Very high89.2Confident58 Ų5865.2 Ų65.227%0.27134%0.34SS..Hα-helixtrans-63.3-47.1177-75.6-175.1-141.300111.5K24 R84 L85 S91 L92K24-E88 HydrophobicContact CD-CB 4.14Å; K24-E88 WeakPolarHBondContact CE-OE2 3.15Å; K24-E88 IonicContact NZ-OE2 3.72Å; K24-E88 PolarHBondContact NZ-OE2 3.16Å; R84-E88 WeakPolarHBondContact CG-OE1 3.45Å; R84-E88 WeakPolarHBondContact O-CG 3.42Å; R84-E88 PolarHBondContact O-N 2.67Å; L85-E88 PolarHBondContact O-N 2.91Å; E88-S91 PolarHBondContact O-N 2.76Å; E88-S91 PolarHBondContact O-OG 2.97Å; E88-L92 WeakPolarHBondContact O-CG 3.41Å; E88-L92 PolarHBondContact O-N 2.72Å
89V96.2Very high87.2Confident10 Ų1068.3 Ų68.36%0.06135%0.353CS..Hα-helixtrans-58-51.8175.5166.60000110.7M21 K24 R25 L28 L85 E86 S91 L92 E93M21-V89 HydrophobicContact CE-CG1 4.02Å; M21-V89 HydrophobicContact SD-CG1 4.44Å; K24-V89 HydrophobicContact CB-CG2 3.82Å; R25-V89 HydrophobicContact CG-CG1 3.93Å; R25-V89 HydrophobicContact CG-CG2 4.17Å; L28-V89 HydrophobicContact CD1-CB 4.47Å; L28-V89 HydrophobicContact CD1-CG2 4.08Å; L85-V89 WeakPolarHBondContact O-CB 3.45Å; L85-V89 VanDerWaalsContact O-CG2 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.41Å; L85-V89 PolarHBondContact O-N 3.5Å; E86-V89 PolarHBondContact O-N 2.93Å; V89-S91 VanDerWaalsContact C-N 3.31Å; V89-S91 PolarHBondContact O-N 3.32Å; V89-L92 PolarHBondContact O-N 2.9Å; V89-E93 WeakPolarHBondContact CG1-OE1 3.47Å; V89-E93 VanDerWaalsContact O-CG 3.28Å; V89-E93 WeakPolarHBondContact O-CG 3.48Å; V89-E93 PolarHBondContact O-N 3.18Å
90S95.5Very high85.2Confident63 Ų6369.3 Ų69.344%0.44136%0.364SS..Hα-helixtrans-63.5-34.1177.7-62.10000113.5E86 T94E86-S90 PolarHBondContact O-N 3.26Å; E86-S90 PolarHBondContact O-OG 3.49Å; S90-T94 WeakPolarHBondContact O-CB 3.28Å; S90-T94 PolarHBondContact O-N 2.84Å; S90-T94 PolarHBondContact O-OG1 2.71Å
91S92.5Very high82.9Confident72 Ų7268 Ų6850%0.50336%0.36SS..Hα-helixtrans-68.3-39.9177.176.50000112.1Q87 E88 V89 G95Q87-S91 VanDerWaalsContact O-CB 3.25Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.39Å; Q87-S91 PolarHBondContact O-OG 2.77Å; E88-S91 PolarHBondContact O-N 2.76Å; E88-S91 PolarHBondContact O-OG 2.97Å; V89-S91 VanDerWaalsContact C-N 3.31Å; V89-S91 PolarHBondContact O-N 3.32Å; S91-G95 PolarHBondContact O-N 2.69Å; S91-G95 VanDerWaalsContact O-N 3.09Å
92L89.8Confident80.5Confident28 Ų2871.1 Ų71.115%0.14738%0.379CS..Hα-helixtrans-66.7-47.9174.9-71.8171.2000110.1W17 M21 K24 E88 V89 T94 G95 L96W17-L92 HydrophobicContact CZ2-CB 3.93Å; W17-L92 WeakPolarHBondContact CZ2-O 3.21Å; M21-L92 HydrophobicContact CG-CB 3.88Å; M21-L92 HydrophobicContact CG-CD1 4.1Å; M21-L92 HydrophobicContact SD-CB 3.4Å; M21-L92 WeakPolarHBondContact SD-CB 3.39Å; M21-L92 HydrophobicContact SD-CD1 3.73Å; M21-L92 HydrophobicContact SD-CG 4.22Å; K24-L92 HydrophobicContact CD-CD1 3.72Å; E88-L92 WeakPolarHBondContact O-CG 3.41Å; E88-L92 PolarHBondContact O-N 2.72Å; V89-L92 PolarHBondContact O-N 2.9Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 3.25Å; L92-G95 CarbonylContact O-C 3.58Å; L92-G95 VanDerWaalsContact O-CA 3.29Å; L92-G95 WeakPolarHBondContact O-CA 3.43Å; L92-G95 PolarHBondContact O-N 3.22Å; L92-L96 PolarHBondContact O-N 3.4Å
93E88.6Confident78.2Confident59 Ų5975 Ų7528%0.27640%0.396SS..Hα-helixtrans-53.9-44.6177.1-72.5166.5169.500111.9M21 R25 V89 G95 L96 V97M21-E93 HydrophobicContact CE-CG 3.46Å; M21-E93 VanDerWaalsContact CE-CG 3.46Å; M21-E93 WeakPolarHBondContact CE-OE1 3.37Å; M21-E93 HydrophobicContact SD-CG 4.27Å; R25-E93 IonicContact CZ-OE1 2.67Å; R25-E93 IonicContact NE-OE1 2.86Å; R25-E93 PolarHBondContact NE-OE1 3.47Å; R25-E93 IonicContact NH2-OE1 2.7Å; R25-E93 PolarHBondContact NH2-OE1 3.39Å; V89-E93 WeakPolarHBondContact CG1-OE1 3.47Å; V89-E93 VanDerWaalsContact O-CG 3.28Å; V89-E93 WeakPolarHBondContact O-CG 3.48Å; V89-E93 PolarHBondContact O-N 3.18Å; E93-G95 VanDerWaalsContact C-N 3.29Å; E93-G95 PolarHBondContact O-N 3.4Å; E93-L96 WeakPolarHBondContact O-CB 3.48Å; E93-L96 PolarHBondContact O-N 2.87Å; E93-L96 VanDerWaalsContact O-N 3.16Å; E93-V97 WeakPolarHBondContact O-CG2 3.44Å; E93-V97 PolarHBondContact O-N 3.4Å; E93-V97 VanDerWaalsContact O-N 3.09Å
94T81Confident75.3Confident90 Ų9071.9 Ų71.955%0.55240%0.396SS*.Hα-helixtrans-64.2-34.4175.1-51.80000111.9S90 L92 V97 S98S90-T94 WeakPolarHBondContact O-CB 3.28Å; S90-T94 PolarHBondContact O-N 2.84Å; S90-T94 PolarHBondContact O-OG1 2.71Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 3.25Å; T94-V97 PolarHBondContact O-N 2.9Å; T94-S98 WeakPolarHBondContact O-CB 3.3Å; T94-S98 PolarHBondContact O-N 3.47Å; T94-S98 PolarHBondContact O-OG 3.25Å
95G72.1Confident72.8Confident25 Ų2570.8 Ų70.826%0.25840%0.404SS..Hα-helixtrans-67.3-32.417300000114S91 L92 E93 Q99S91-G95 PolarHBondContact O-N 2.69Å; S91-G95 VanDerWaalsContact O-N 3.09Å; L92-G95 CarbonylContact O-C 3.58Å; L92-G95 VanDerWaalsContact O-CA 3.29Å; L92-G95 WeakPolarHBondContact O-CA 3.43Å; L92-G95 PolarHBondContact O-N 3.22Å; E93-G95 VanDerWaalsContact C-N 3.29Å; E93-G95 PolarHBondContact O-N 3.4Å; G95-Q99 WeakPolarHBondContact O-CG 3.27Å; G95-Q99 PolarHBondContact O-N 2.89Å; G95-Q99 VanDerWaalsContact O-N 3.14Å; G95-Q99 PolarHBondContact O-NE2 3.32Å
96L63.4Low70.1Confident59 Ų5975.9 Ų75.931%0.30944%0.435SS..Hα-helixtrans-69.2-46.1172.1176.269.2000111.4W17 L92 E93 S98 Q99 T100W17-L96 HydrophobicContact CE3-CD1 4.13Å; W17-L96 HydrophobicContact CH2-CB 3.41Å; W17-L96 VanDerWaalsContact CH2-CB 3.41Å; W17-L96 HydrophobicContact CH2-CD1 4.1Å; W17-L96 HydrophobicContact CH2-CD2 3.62Å; W17-L96 HydrophobicContact CH2-CG 3.88Å; W17-L96 HydrophobicContact CZ2-CB 3.66Å; W17-L96 HydrophobicContact CZ3-CB 3.95Å; W17-L96 HydrophobicContact CZ3-CD1 3.72Å; W17-L96 HydrophobicContact CZ3-CD2 3.73Å; W17-L96 HydrophobicContact CZ3-CG 3.99Å; L92-L96 PolarHBondContact O-N 3.4Å; E93-L96 WeakPolarHBondContact O-CB 3.48Å; E93-L96 PolarHBondContact O-N 2.87Å; E93-L96 VanDerWaalsContact O-N 3.16Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 2.89Å; L96-Q99 PolarHBondContact O-N 3.43Å; L96-T100 WeakPolarHBondContact O-CB 3.46Å; L96-T100 PolarHBondContact O-N 3.3Å; L96-T100 PolarHBondContact O-OG1 3.19Å
97V59.3Low67.1Low82 Ų8280.9 Ų80.950%0.49746%0.461SS..Hα-helixtrans-58.5-44.5177.1173.70000110.2E93 T94 Q99 T100 I101E93-V97 WeakPolarHBondContact O-CG2 3.44Å; E93-V97 PolarHBondContact O-N 3.4Å; E93-V97 VanDerWaalsContact O-N 3.09Å; T94-V97 PolarHBondContact O-N 2.9Å; V97-Q99 PolarHBondContact O-N 2.94Å; V97-T100 PolarHBondContact O-N 2.96Å; V97-I101 HydrophobicContact CG1-CD1 3.6Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CB 3.49Å; V97-I101 WeakPolarHBondContact O-CD1 3.42Å; V97-I101 VanDerWaalsContact O-CG1 3.24Å; V97-I101 WeakPolarHBondContact O-CG1 3.43Å; V97-I101 PolarHBondContact O-N 3.14Å
98S56.6Low64.1Low66 Ų6678.4 Ų78.446%0.46246%0.459SS..Hα-helixtrans-63.6-39.5178.2-54.20000113.6T94 L96 T102T94-S98 WeakPolarHBondContact O-CB 3.3Å; T94-S98 PolarHBondContact O-N 3.47Å; T94-S98 PolarHBondContact O-OG 3.25Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 2.89Å; S98-T102 PolarHBondContact O-N 2.92Å; S98-T102 PolarHBondContact O-OG1 2.69Å
99Q57.9Low61.1Low107 Ų10781.7 Ų81.750%0.548%0.484SS..Hα-helixtrans-71.8-40.4175.1-76.5170.292.900111.9G95 L96 V97 I101 T102 H103G95-Q99 WeakPolarHBondContact O-CG 3.27Å; G95-Q99 PolarHBondContact O-N 2.89Å; G95-Q99 VanDerWaalsContact O-N 3.14Å; G95-Q99 PolarHBondContact O-NE2 3.32Å; L96-Q99 PolarHBondContact O-N 3.43Å; V97-Q99 PolarHBondContact O-N 2.94Å; Q99-I101 VanDerWaalsContact C-N 3.35Å; Q99-I101 PolarHBondContact O-N 3.44Å; Q99-T102 WeakPolarHBondContact CA-OG1 3.13Å; Q99-T102 PolarHBondContact O-N 3.04Å; Q99-T102 PolarHBondContact O-OG1 2.98Å; Q99-H103 PolarHBondContact O-CD2 3.32Å; Q99-H103 PolarHBondContact O-N 3.43Å; Q99-H103 VanDerWaalsContact O-N 3.14Å
100T55.2Low58.4Low83 Ų8387 Ų8751%0.50952%0.519SS..Hα-helixtrans-66.1-38.4-179.8-510000111.4L96 V97 H103 S104L96-T100 WeakPolarHBondContact O-CB 3.46Å; L96-T100 PolarHBondContact O-N 3.3Å; L96-T100 PolarHBondContact O-OG1 3.19Å; V97-T100 PolarHBondContact O-N 2.96Å; T100-H103 PolarHBondContact O-N 3.28Å; T100-S104 PolarHBondContact O-N 3.39Å
101I50.3Low55.2Low100 Ų10091.7 Ų91.751%0.51354%0.539SS..Hα-helixtrans-68-37.1176-69.9167.9000112.4V97 Q99 H103 S104V97-I101 HydrophobicContact CG1-CD1 3.6Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CB 3.49Å; V97-I101 WeakPolarHBondContact O-CD1 3.42Å; V97-I101 VanDerWaalsContact O-CG1 3.24Å; V97-I101 WeakPolarHBondContact O-CG1 3.43Å; V97-I101 PolarHBondContact O-N 3.14Å; Q99-I101 VanDerWaalsContact C-N 3.35Å; Q99-I101 PolarHBondContact O-N 3.44Å; I101-H103 VanDerWaalsContact C-N 3.33Å; I101-H103 PolarHBondContact O-N 3.41Å; I101-S104 PolarHBondContact O-OG 2.93Å
102T48.8Very low52.9Low84 Ų8493.3 Ų93.352%0.51555%0.547SS..Hα-helixtrans-70-31.2176.834.10000112.3S98 Q99 V106S98-T102 PolarHBondContact O-N 2.92Å; S98-T102 PolarHBondContact O-OG1 2.69Å; Q99-T102 WeakPolarHBondContact CA-OG1 3.13Å; Q99-T102 PolarHBondContact O-N 3.04Å; Q99-T102 PolarHBondContact O-OG1 2.98Å; T102-V106 WeakPolarHBondContact O-CG2 3.34Å
103H48.3Very low50.1Low92 Ų9296.6 Ų96.643%0.42658%0.579SS.*Hα-helixtrans-75.2-30.1177.2-77.8-122.1000113.7Q10 Q99 T100 I101 V106 M107Q10-H103 PolarHBondContact OE1-CE1 2.83Å; Q99-H103 PolarHBondContact O-CD2 3.32Å; Q99-H103 PolarHBondContact O-N 3.43Å; Q99-H103 VanDerWaalsContact O-N 3.14Å; T100-H103 PolarHBondContact O-N 3.28Å; I101-H103 VanDerWaalsContact C-N 3.33Å; I101-H103 PolarHBondContact O-N 3.41Å; H103-V106 PolarHBondContact O-N 2.9Å; H103-M107 PolarHBondContact O-N 3.36Å
104S39.1Very low47.5Very low77 Ų77100.3 Ų100.354%0.53861%0.605SS.*Hα-helixtrans-69-34.3176.169.20000112.9T100 I101T100-S104 PolarHBondContact O-N 3.39Å; I101-S104 PolarHBondContact O-OG 2.93Å
105V45Very low45.4Very low110 Ų110104.5 Ų104.567%0.66762%0.618SS**Hα-helixtrans-67.6-33.3174.3157.20000112.7
106V42.3Very low43.5Very low118 Ų118110 Ų11072%0.71565%0.647SS**Hα-helixtrans-86.3-13.1-174.7177.40000113.2T102 H103T102-V106 WeakPolarHBondContact O-CG2 3.34Å; H103-V106 PolarHBondContact O-N 2.9Å
107M33.8Very low42Very low169 Ų169116 Ų11683%0.83367%0.67SS**THydrogen-bonded Turntrans-86.3-0174.4-85.7-173.959.600115.1H103 T109H103-M107 PolarHBondContact O-N 3.36Å; M107-T109 PolarHBondContact O-N 3.22Å
108S33.8Very low40.4Very low94 Ų94115.8 Ų115.866%0.65769%0.685SS**SBendtrans-89.497.5168.5-66.20000110.6
109T32.7Very low39.1Very low128 Ų128121 Ų12179%0.78570%0.701SS**PPolyproline II helixtrans-63.4129.4174.7470000111.6M107 D111M107-T109 PolarHBondContact O-N 3.22Å; T109-D111 PolarHBondContact O-N 2.82Å
110P40.4Very low37.7Very low122 Ų122121.2 Ų121.279%0.79271%0.714SS**PPolyproline II helixtrans-77.3119.8169.830.5-31.7000110.3
111D29.4Very low36.3Very low160 Ų160127.4 Ų127.486%0.85673%0.729SS**PPolyproline II helixtrans-79.5126.8176.6-144.3-15.5000110.2T109T109-D111 PolarHBondContact O-N 2.82Å
112P43.2Very low35.4Very low106 Ų106129.4 Ų129.469%0.68874%0.738SS**PPolyproline II helixtrans-95.9149.4-176.835.2-32.9000114.3
113A30.7Very low34.4Very low98 Ų98131.7 Ų131.781%0.8174%0.742SS**  trans77.8133.5175.900000115
114V33.8Very low33.5Very low137 Ų137134.9 Ų134.983%0.8376%0.757SS**  cis-153.8143.945.31610000110.9
115E36.9Very low32.9Very low177 Ų177135.2 Ų135.283%0.82777%0.773SS**  trans-71.1144.6166.6-69.1-179.377.300112.3
116V31.7Very low32.1Very low140 Ų140134.1 Ų134.185%0.84878%0.784SS**  -167.1103.1126.3159.10000111
117K32.7Very low31.5Very low186 Ų186133 Ų13381%0.80979%0.787SS**  37.4114.1129.1-154.2164.5-171.6166.20121
118G26.3Very low31.4Very low77 Ų77134.6 Ų134.679%0.79479%0.79SS**  trans-151.7116.7158.300000112.9
119H29.4Very low32.2Very low176 Ų176135.7 Ų135.782%0.81579%0.794SS**  trans-69.3164.7172-79.418.4000111.5
120S27.3Very low32.1Very low111 Ų111135.8 Ų135.878%0.77680%0.8SS**  cis-178.1161.6-11.8168.90000106.2
121R26.7Very low31.4Very low213 Ų213133.4 Ų133.480%0.80480%0.798SS**  trans143.8116.5138.8-170.7165.4-161.7-116.31.8115.1
122M30.3Very low31.5Very low143 Ų143134.3 Ų134.370%0.70480%0.797SS**  trans28.7139.7134.9-6817674.800120.5
123E28.7Very low30.8Very low131 Ų131135.7 Ų135.761%0.61280%0.803SS**  cis-163.2160.36.8-90.2-107.477.800112.2
124Q30.2Very low31Very low159 Ų159137.5 Ų137.574%0.74380%0.798SS**  trans27.9123.5144.4-62.417337.100122.7
125G25.5Very low30.9Very low85 Ų85139.8 Ų139.888%0.87680%0.8SS**  99.9139.4104.200000119.6
126G27.4Very low30.7Very low87 Ų87139.7 Ų139.790%0.89780%0.799SS**  trans129.4128163.700000114.7
127A30.9Very low30.6Very low94 Ų94139.6 Ų139.678%0.77780%0.799SS**  trans-119.3131.8-179.700000112.4
128K31.7Very low30.6Very low203 Ų203139 Ų13988%0.88380%0.796SS**  trans59.7166.4160.9-76.7-175.5176.5-178.60117.5
129P50.3Low30.9Very low116 Ų116141.4 Ų141.475%0.75380%0.795SS**  cis-133.2-171.1-38.638.2-21.9000112.7
130S29.8Very low30.9Very low130 Ų130141 Ų14191%0.90979%0.794SS**  trans86.2143.6159.1-1500000118.1
131G27.2Very low31.4Very low73 Ų73145 Ų14575%0.75380%0.797SS**  trans14873.5-17800000114.7
132Q30.1Very low31.5Very low178 Ų178139.8 Ų139.883%0.83279%0.794SS**  trans-26.1142161.9-73.2164.8-45.800117.4
133V30Very low31.7Very low135 Ų135139.5 Ų139.582%0.81880%0.799SS**  -144.2127103.7173.70000108.8
134I33.5Very low31.8Very low137 Ų137142 Ų14270%0.70381%0.808SS**  trans-108.7138.6166.1-63.7170.1000106.6E136I134-E136 HydrophobicContact CG2-CG 3.91Å
135Q32.4Very low32.3Very low185 Ų185141.1 Ų141.186%0.86481%0.813SS**  trans-119.4110.2160.1-106.4-1763000109.5
136E31.9Very low32.5Very low175 Ų175142 Ų14282%0.81881%0.806SS**  trans-89.4135.7170.9-61.2179.294.300110.3I134I134-E136 HydrophobicContact CG2-CG 3.91Å
137V31.1Very low33.3Very low138 Ų138147 Ų14784%0.83680%0.803SS**  trans-133.476.9154.5-170.80000111
138K32.6Very low33.6Very low172 Ų172148.5 Ų148.575%0.74881%0.805SS**  trans40.799130.5-158.6164.9-170.81690119.3
139V31.9Very low34.2Very low128 Ų128149.2 Ų149.278%0.77680%0.803SS**  trans-61.4141.3158.3170.40000111.8
140Q29.7Very low34.1Very low169 Ų169151.9 Ų151.979%0.7981%0.805SS**  trans-135.2119.2152.7-73.3-165.647.900111.8
141K37.3Very low34.6Very low193 Ų193149.6 Ų149.684%0.83979%0.794SS**  trans-78.1137.9169.3-83.5172.9168.2173.40110.4
142S29.6Very low35.5Very low105 Ų105155.2 Ų155.273%0.73479%0.792SS**  trans-153.790.2142.652.80000111.3K144S142-K144 PolarHBondContact O-N 3.02Å
143V33.4Very low36.4Very low136 Ų136149.5 Ų149.582%0.82478%0.781SS**  trans-73.9114.8167.81720000107.7
144K31Very low37.4Very low184 Ų184151.3 Ų151.380%0.878%0.781SS**  trans-87.4117.6170.6-66.8178.1-176.9173.90108.2S142 S146S142-K144 PolarHBondContact O-N 3.02Å; K144-S146 PolarHBondContact O-N 2.86Å
145V41.2Very low38.1Very low140 Ų140153.9 Ų153.985%0.84879%0.792SS**  trans-70.3112.1174.3172.20000109.3
146S30.5Very low39.6Very low105 Ų105150.8 Ų150.873%0.73478%0.776SS**  trans-104.7131.8159.643.40000109K144K144-S146 PolarHBondContact O-N 2.86Å
147K43.1Very low41.7Very low190 Ų190150.8 Ų150.883%0.82677%0.773SS**  trans-59.7136.5177-77.4172.1166.8175.80110.7R149K147-R149 PolarHBondContact O-N 3.46Å
148P37.1Very low44.2Very low127 Ų127147.1 Ų147.183%0.82576%0.757SS**  trans-70.6116.8155.629.8-29.7000108.2
149R45.4Very low47Very low218 Ų218146.8 Ų146.882%0.82376%0.76SS**  trans-96.3108.7167.4176.7-178.5175.7-171.8-4.1107.2K147K147-R149 PolarHBondContact O-N 3.46Å
150E47.4Very low49.8Very low172 Ų172147.7 Ų147.780%0.80475%0.751SS**  trans43.872.7159.3-62.7176.5118.400117.7R152E150-R152 PolarHBondContact O-N 2.97Å
151A40.2Very low52.8Low82 Ų82140.9 Ų140.968%0.67872%0.722SS**  trans-91.561.816400000111.6
152R45.2Very low55.5Low191 Ų191134.7 Ų134.772%0.72170%0.7SS**  trans-94.2-3.1174-153.3-171.7-179.1-104.4-2.5113.4E150 E199E150-R152 PolarHBondContact O-N 2.97Å; R152-E199 IonicContact CZ-OE1 3.83Å; R152-E199 IonicContact NH1-OE1 3.41Å; R152-E199 PolarHBondContact NH1-OE1 3.3Å; R152-E199 IonicContact NH2-OE1 2.69Å; R152-E199 PolarHBondContact NH2-OE1 2.9Å
153G49.6Very low58.5Low58 Ų58132.7 Ų132.760%0.59868%0.679SS**SBendtrans-95.8-31.6-173.100000116.3M155G153-M155 PolarHBondContact O-N 2.79Å
154E52.3Low61.4Low173 Ų173128.3 Ų128.381%0.80865%0.65SS**THydrogen-bonded Turntrans-81.5-9-154.5-64.4173.1158.900115.5
155M47.5Very low64.4Low190 Ų190124.5 Ų124.594%0.93663%0.634SS**THydrogen-bonded Turntrans-99.24.7-178.6-64.3-17373.700114.7G153G153-M155 PolarHBondContact O-N 2.79Å
156K62.9Low66.8Low120 Ų120120.9 Ų120.952%0.52261%0.612SS.*  trans-98.334.5-175.3-66.1-156.8177.1-155.50114.8E199K156-E199 PolarHBondContact NZ-O 2.61Å; K156-E199 IonicContact NZ-OE1 2.92Å
157K77.3Confident69.7Low176 Ų176120.4 Ų120.477%0.76560%0.598SS**  trans-77.9123.2168.1-165166.2-174.3171.20108.7
158A83.4Confident71.9Confident61 Ų61116 Ų11650%0.50458%0.576SS.*  trans-57.2145.7175.300000110.5P185A158-P185 VanDerWaalsContact O-CB 3.3Å; A158-P185 WeakPolarHBondContact O-CB 3.03Å; A158-P185 WeakPolarHBondContact O-CG 3.32Å
159M90.1Very high74.3Confident164 Ų164112.9 Ų112.981%0.80855%0.553SS**SBendtrans-86.6-23.3-179.9-69.7-61.2-62.300113.1P185M159-P185 WeakPolarHBondContact O-CG 3.32Å
160Y91.6Very high76.3Confident148 Ų148113.3 Ų113.358%0.5855%0.554SS**  trans-154.3169.9174.657.9-88.5000109.1V162 T182 K183Y160-V162 HydrophobicContact CD2-CG2 3.65Å; Y160-V162 HydrophobicContact CE2-CG2 3.54Å; Y160-T182 HydrophobicContact CD2-CG2 3.91Å; Y160-T182 HydrophobicContact CG-CG2 4.2Å; Y160-K183 WeakPolarHBondContact CA-O 3.26Å; Y160-K183 WeakPolarHBondContact CB-O 3.43Å
161S92.4Very high78.2Confident25 Ų25111.7 Ų111.718%0.17556%0.556CS.*EExtended strand (participates in β ladder)trans-122.1154.4165.862.60000109.7T182 K183 L184S161-T182 WeakPolarHBondContact O-CA 3.31Å; S161-K183 PolarHBondContact N-O 3.42Å; S161-K183 PolarHBondContact O-N 2.88Å; S161-L184 PolarHBondContact OG-O 3.15Å
162V93.8Very high80.3Confident63 Ų63112.3 Ų112.338%0.38255%0.551SS.*EExtended strand (participates in β ladder)trans-125.6117.8178.2-170.20000109.1Y160 I164 T180Y160-V162 HydrophobicContact CD2-CG2 3.65Å; Y160-V162 HydrophobicContact CE2-CG2 3.54Å; V162-I164 HydrophobicContact CG1-CD1 4.36Å; V162-I164 HydrophobicContact CG1-CG1 3.75Å; V162-T180 VanDerWaalsContact CG1-OG1 3.26Å; V162-T180 WeakPolarHBondContact CG1-OG1 3.4Å
163E93.8Very high82.1Confident63 Ų63105.6 Ų105.629%0.29454%0.541SS..EExtended strand (participates in β ladder)trans-89.2102172-176.9-172.9170.900108.9K165 T180 N181 K183E163-K165 WeakPolarHBondContact OE1-CE 3.32Å; E163-K165 IonicContact OE1-NZ 3.48Å; E163-K165 PolarHBondContact OE1-NZ 3.4Å; E163-K165 VanDerWaalsContact OE1-NZ 3.15Å; E163-T180 CarbonylContact O-C 3.15Å; E163-T180 WeakPolarHBondContact O-CA 3.36Å; E163-N181 HydrophobicContact CB-CB 4.41Å; E163-N181 PolarHBondContact N-O 3.49Å; E163-N181 PolarHBondContact O-N 2.92Å; E163-K183 WeakPolarHBondContact OE2-CE 3.27Å; E163-K183 IonicContact OE2-NZ 2.65Å; E163-K183 PolarHBondContact OE2-NZ 2.87Å
164I94.2Very high83.8Confident44 Ų44107.8 Ų107.823%0.22654%0.536CS..EExtended strand (participates in β ladder)trans-98.4116.8175.8-50.2174.1000108.4V162 V166 V177 L222 I223 A226V162-I164 HydrophobicContact CG1-CD1 4.36Å; V162-I164 HydrophobicContact CG1-CG1 3.75Å; I164-V166 HydrophobicContact CG2-CG1 4.03Å; I164-V177 HydrophobicContact CG2-CG1 3.84Å; I164-V177 HydrophobicContact CG2-CG2 3.98Å; I164-L222 HydrophobicContact CD1-CD2 4.41Å; I164-L222 HydrophobicContact CD1-CG 4.08Å; I164-L222 HydrophobicContact CG2-CD1 3.96Å; I164-L222 HydrophobicContact CG2-CG 4.17Å; I164-I223 HydrophobicContact CD1-CG1 4.48Å; I164-A226 HydrophobicContact CD1-CB 3.74Å; I164-A226 HydrophobicContact CG1-CB 3.92Å; I164-A226 HydrophobicContact CG2-CB 3.97Å
165K92.6Very high85.6Confident104 Ų104101.1 Ų101.145%0.45251%0.507SS..EExtended strand (participates in β ladder)trans-93.6129.3173-60.6-171.1-179.3179.40109.4E163 L178 S179E163-K165 WeakPolarHBondContact OE1-CE 3.32Å; E163-K165 IonicContact OE1-NZ 3.48Å; E163-K165 PolarHBondContact OE1-NZ 3.4Å; E163-K165 VanDerWaalsContact OE1-NZ 3.15Å; K165-L178 HydrophobicContact CB-CB 4.4Å; K165-L178 PolarHBondContact O-N 3.28Å; K165-S179 WeakPolarHBondContact CB-OG 3.45Å; K165-S179 PolarHBondContact N-O 2.96Å; K165-S179 PolarHBondContact O-N 3.36Å
166V92.4Very high87.7Confident64 Ų6498.4 Ų98.439%0.38849%0.487SS..EExtended strand (participates in β ladder)trans-123.6147.6-175.5-60.40000112I164 T175 R176 V177 L222I164-V166 HydrophobicContact CG2-CG1 4.03Å; V166-T175 HydrophobicContact CB-CG2 3.81Å; V166-T175 HydrophobicContact CG1-CG2 3.98Å; V166-T175 HydrophobicContact CG2-CG2 4.23Å; V166-R176 CarbonylContact C-O 3.55Å; V166-R176 VanDerWaalsContact CA-O 3.28Å; V166-R176 WeakPolarHBondContact CA-O 3.49Å; V166-V177 HydrophobicContact CG1-CG2 4.49Å; V166-L222 HydrophobicContact CG1-CD1 3.5Å; V166-L222 VanDerWaalsContact CG1-CD1 3.5Å; V166-L222 HydrophobicContact CG1-CD2 4.38Å
167E90.9Very high89.2Confident96 Ų9694 Ų9445%0.44947%0.47SS..EExtended strand (participates in β ladder)trans-106.9120.3162.1-179.9174.6-117.100107.5R176 L178E167-R176 PolarHBondContact N-O 3.31Å; E167-R176 PolarHBondContact O-N 3.46Å; E167-R176 IonicContact OE2-NH1 3.37Å; E167-R176 PolarHBondContact OE2-NH1 3.03Å; E167-L178 HydrophobicContact CB-CD1 4.06Å; E167-L178 HydrophobicContact CB-CD2 3.9Å; E167-L178 HydrophobicContact CB-CG 3.97Å
168R88.8Confident89.9Confident98 Ų9890.8 Ų90.837%0.3746%0.46SS..EExtended strand (participates in β ladder)trans-101116171.4-178.5179.2-79.4144.1-13.5108.7R170 E174R168-R170 PolarHBondContact O-N 3.06Å; R168-E174 CarbonylContact C-O 3.6Å; R168-E174 WeakPolarHBondContact CA-O 3.41Å
169D88.8Confident90.2Very high61 Ų6190 Ų9033%0.32645%0.451SS..  trans-69.2117.5172.6176.63.4000109.2V171 T172 G173 E174D169-V171 PolarHBondContact O-N 3.14Å; D169-V171 WeakPolarHBondContact OD1-CB 3.31Å; D169-V171 PolarHBondContact OD1-N 3.44Å; D169-T172 WeakPolarHBondContact CB-OG1 3.33Å; D169-T172 WeakPolarHBondContact OD2-CB 3.24Å; D169-T172 WeakPolarHBondContact OD2-CG2 3.44Å; D169-T172 PolarHBondContact OD2-OG1 2.91Å; D169-G173 VanDerWaalsContact O-CA 3.25Å; D169-G173 WeakPolarHBondContact O-CA 3.44Å; D169-G173 PolarHBondContact O-N 2.94Å; D169-E174 PolarHBondContact N-O 3.43Å
170R86.1Confident90.5Very high227 Ų22783.6 Ų83.686%0.85742%0.421SS*.THydrogen-bonded Turntrans-73.1-11.6-178.3-63.7-174175.8-158.3-3.5113.7R168R168-R170 PolarHBondContact O-N 3.06Å
171V87.5Confident90.5Very high138 Ų13880.3 Ų80.384%0.83641%0.414SS*.THydrogen-bonded Turntrans-96.1-40.4-179.7-175.50000111.5D169D169-V171 PolarHBondContact O-N 3.14Å; D169-V171 WeakPolarHBondContact OD1-CB 3.31Å; D169-V171 PolarHBondContact OD1-N 3.44Å
172T85.5Confident90.6Very high95 Ų9583.4 Ų83.458%0.58343%0.432SS*.THydrogen-bonded Turntrans-98.3-21.2-179.761.20000114D169 E174D169-T172 WeakPolarHBondContact CB-OG1 3.33Å; D169-T172 WeakPolarHBondContact OD2-CB 3.24Å; D169-T172 WeakPolarHBondContact OD2-CG2 3.44Å; D169-T172 PolarHBondContact OD2-OG1 2.91Å; T172-E174 WeakPolarHBondContact OG1-CB 3.41Å; T172-E174 PolarHBondContact OG1-N 3.32Å
173G82.6Confident90.4Very high49 Ų4984.8 Ų84.851%0.50543%0.432SS..  trans80-2.8-170.400000114.1D169D169-G173 VanDerWaalsContact O-CA 3.25Å; D169-G173 WeakPolarHBondContact O-CA 3.44Å; D169-G173 PolarHBondContact O-N 2.94Å
174E85.9Confident90.3Very high104 Ų10488.6 Ų88.649%0.48645%0.454SS..  trans-66.1135.6-177.6-167.6-176.1160.500111.4R168 D169 T172 R176R168-E174 CarbonylContact C-O 3.6Å; R168-E174 WeakPolarHBondContact CA-O 3.41Å; D169-E174 PolarHBondContact N-O 3.43Å; T172-E174 WeakPolarHBondContact OG1-CB 3.41Å; T172-E174 PolarHBondContact OG1-N 3.32Å; E174-R176 HydrophobicContact CG-CG 4.29Å
175T89.6Confident90.1Very high34 Ų3489.1 Ų89.121%0.20946%0.46CS..EExtended strand (participates in β ladder)trans-107.1120.2174.3-560000109.8V166 L222 K225V166-T175 HydrophobicContact CB-CG2 3.81Å; V166-T175 HydrophobicContact CG1-CG2 3.98Å; V166-T175 HydrophobicContact CG2-CG2 4.23Å; T175-L222 HydrophobicContact CG2-CD1 4.47Å; T175-K225 PolarHBondContact O-NZ 2.91Å
176R91.1Very high89.7Confident133 Ų13387.7 Ų87.750%0.50246%0.46SS..EExtended strand (participates in β ladder)trans-114.3135.1-177.7-60175.969.9-1393.5109.6V166 E167 E174V166-R176 CarbonylContact C-O 3.55Å; V166-R176 VanDerWaalsContact CA-O 3.28Å; V166-R176 WeakPolarHBondContact CA-O 3.49Å; E167-R176 PolarHBondContact N-O 3.31Å; E167-R176 PolarHBondContact O-N 3.46Å; E167-R176 IonicContact OE2-NH1 3.37Å; E167-R176 PolarHBondContact OE2-NH1 3.03Å; E174-R176 HydrophobicContact CG-CG 4.29Å
177V94.2Very high89.3Confident28 Ų2890 Ų9017%0.1747%0.471CS..EExtended strand (participates in β ladder)trans-81.7127.4176.2-179.80000109.7I164 V166 L222 K225 A226 A229I164-V177 HydrophobicContact CG2-CG1 3.84Å; I164-V177 HydrophobicContact CG2-CG2 3.98Å; V166-V177 HydrophobicContact CG1-CG2 4.49Å; V177-L222 HydrophobicContact CG2-CD1 3.61Å; V177-K225 HydrophobicContact CG2-CB 3.72Å; V177-A226 HydrophobicContact CG1-CB 4.4Å; V177-A229 HydrophobicContact CB-CB 4.38Å; V177-A229 HydrophobicContact CG1-CB 3.99Å
178L91.8Very high88.8Confident108 Ų10887.3 Ų87.357%0.56546%0.459SS*.EExtended strand (participates in β ladder)trans-91.5-39.4175.8-63.2-179.4000112.1K165 E167K165-L178 HydrophobicContact CB-CB 4.4Å; K165-L178 PolarHBondContact O-N 3.28Å; E167-L178 HydrophobicContact CB-CD1 4.06Å; E167-L178 HydrophobicContact CB-CD2 3.9Å; E167-L178 HydrophobicContact CB-CG 3.97Å
179S91.6Very high88.4Confident44 Ų4486.1 Ų86.131%0.30847%0.465SS..EExtended strand (participates in β ladder)trans-162.6150.5178.366.30000110.8K165K165-S179 WeakPolarHBondContact CB-OG 3.45Å; K165-S179 PolarHBondContact N-O 2.96Å; K165-S179 PolarHBondContact O-N 3.36Å
180T94.6Very high87.9Confident29 Ų2991.1 Ų91.118%0.17849%0.492CS..EExtended strand (participates in β ladder)trans-120.1150.2167.7-173.80000110.6V162 E163 A226V162-T180 VanDerWaalsContact CG1-OG1 3.26Å; V162-T180 WeakPolarHBondContact CG1-OG1 3.4Å; E163-T180 CarbonylContact O-C 3.15Å; E163-T180 WeakPolarHBondContact O-CA 3.36Å; T180-A226 WeakPolarHBondContact CG2-O 3.47Å
181N92.4Very high87.7Confident80 Ų8086.2 Ų86.243%0.42848%0.479SS..EExtended strand (participates in β ladder)trans-147.4114.9176.1-173.4-15.1000110.8E163E163-N181 HydrophobicContact CB-CB 4.41Å; E163-N181 PolarHBondContact N-O 3.49Å; E163-N181 PolarHBondContact O-N 2.92Å
182T93.8Very high87.6Confident90 Ų9080.2 Ų80.255%0.55245%0.445SS*.EExtended strand (participates in β ladder)trans-84.6122.3176.9-520000110.4Y160 S161Y160-T182 HydrophobicContact CD2-CG2 3.91Å; Y160-T182 HydrophobicContact CG-CG2 4.2Å; S161-T182 WeakPolarHBondContact O-CA 3.31Å
183K91Very high87.8Confident91 Ų9179.5 Ų79.540%0.39644%0.441SS..EExtended strand (participates in β ladder)trans-121.9169.4-177-70.8174.7173174.70110.9Y160 S161 E163Y160-K183 WeakPolarHBondContact CA-O 3.26Å; Y160-K183 WeakPolarHBondContact CB-O 3.43Å; S161-K183 PolarHBondContact N-O 3.42Å; S161-K183 PolarHBondContact O-N 2.88Å; E163-K183 WeakPolarHBondContact OE2-CE 3.27Å; E163-K183 IonicContact OE2-NZ 2.65Å; E163-K183 PolarHBondContact OE2-NZ 2.87Å
184L91.3Very high88.2Confident143 Ų14381.9 Ų81.975%0.74944%0.437SS*.SBendtrans-56.3162.8167.7-66.6178000111.1S161 V186S161-L184 PolarHBondContact OG-O 3.15Å; L184-V186 PolarHBondContact O-N 2.93Å; L184-V186 VanDerWaalsContact O-N 3.15Å
185P89.3Confident88.5Confident55 Ų5577.2 Ų77.236%0.35742%0.415SS..  trans-58.4118.9174.5-2334.1000111A158 M159A158-P185 VanDerWaalsContact O-CB 3.3Å; A158-P185 WeakPolarHBondContact O-CB 3.03Å; A158-P185 WeakPolarHBondContact O-CG 3.32Å; M159-P185 WeakPolarHBondContact O-CG 3.32Å
186V85.4Confident88.6Confident74 Ų7477 Ų7745%0.44841%0.411SS..  trans-119133.3173.7-176.80000107.8L184 L188L184-V186 PolarHBondContact O-N 2.93Å; L184-V186 VanDerWaalsContact O-N 3.15Å; V186-L188 HydrophobicContact CB-CD2 4.38Å; V186-L188 HydrophobicContact CB-CG 4.45Å; V186-L188 HydrophobicContact CG1-CD2 3.6Å; V186-L188 HydrophobicContact CG1-CG 4.09Å
187D83Confident88.8Confident114 Ų11476.3 Ų76.361%0.6141%0.414SS*.  trans-80.4120.7165.9-167.9-5.8000109S189D187-S189 VanDerWaalsContact OD1-CB 3.26Å; D187-S189 WeakPolarHBondContact OD1-CB 3.48Å; D187-S189 PolarHBondContact OD1-N 2.93Å; D187-S189 PolarHBondContact OD1-OG 2.71Å
188L80.8Confident88.6Confident38 Ų3877.3 Ų77.320%0.19942%0.418CS..  trans-112.310.1-177.8-64177.9000112.2V186 D190 Q191 G192 H204 M206V186-L188 HydrophobicContact CB-CD2 4.38Å; V186-L188 HydrophobicContact CB-CG 4.45Å; V186-L188 HydrophobicContact CG1-CD2 3.6Å; V186-L188 HydrophobicContact CG1-CG 4.09Å; L188-D190 PolarHBondContact O-N 3.39Å; L188-D190 VanDerWaalsContact O-N 3.13Å; L188-Q191 HydrophobicContact CD2-CB 4.22Å; L188-Q191 PolarHBondContact O-N 2.68Å; L188-G192 PolarHBondContact O-N 3.45Å; L188-H204 HydrophobicContact CB-CB 4.22Å; L188-M206 HydrophobicContact CD1-CE 4.14Å; L188-M206 HydrophobicContact CD2-CE 4.07Å
189S79.8Confident88.4Confident73 Ų7378 Ų7851%0.5142%0.418SS..THydrogen-bonded Turntrans-55-32-177.3-58.70000113.6D187D187-S189 VanDerWaalsContact OD1-CB 3.26Å; D187-S189 WeakPolarHBondContact OD1-CB 3.48Å; D187-S189 PolarHBondContact OD1-N 2.93Å; D187-S189 PolarHBondContact OD1-OG 2.71Å
190D77.8Confident88.1Confident167 Ų16784.5 Ų84.589%0.89344%0.444SS*.THydrogen-bonded Turntrans-95-7.2177.9-61.5-46.9000114.1L188L188-D190 PolarHBondContact O-N 3.39Å; L188-D190 VanDerWaalsContact O-N 3.13Å
191Q83.3Confident87.9Confident123 Ų12385.6 Ų85.658%0.57545%0.446SS*.THydrogen-bonded Turntrans-111.5-27.3-170.6-70177.171.300113.8L188 M206L188-Q191 HydrophobicContact CD2-CB 4.22Å; L188-Q191 PolarHBondContact O-N 2.68Å; Q191-M206 HydrophobicContact CB-SD 3.88Å
192G84.4Confident87.8Confident12 Ų1285 Ų8512%0.12445%0.445CS..SBendtrans-138.6157.8179.400000112.5L188 K194 H204 E205L188-G192 PolarHBondContact O-N 3.45Å; G192-K194 PolarHBondContact O-N 2.8Å; G192-H204 PolarHBondContact O-CD2 3.29Å; G192-E205 CarbonylContact C-O 3.56Å; G192-E205 VanDerWaalsContact CA-O 3.32Å; G192-E205 WeakPolarHBondContact CA-O 3.48Å
193V89.4Confident87.8Confident81 Ų8182.6 Ų82.649%0.49143%0.43SS..EExtended strand (participates in β ladder)trans-78.5123.8178.5179.60000109.2V195 H204 E205 A211V193-V195 HydrophobicContact CG1-CG1 4.47Å; V193-V195 PolarHBondContact O-N 3.43Å; V193-H204 CarbonylContact O-C 3.53Å; V193-H204 VanDerWaalsContact O-CA 3.31Å; V193-H204 WeakPolarHBondContact O-CA 3.46Å; V193-E205 PolarHBondContact N-O 3.26Å; V193-E205 PolarHBondContact O-N 2.68Å; V193-A211 HydrophobicContact CG1-CB 4.13Å
194K91.8Very high87.8Confident98 Ų9880.3 Ų80.343%0.42642%0.421SS..EExtended strand (participates in β ladder)trans-66.6106.2175.3-174.1170.768.4172.30110.5G192 E197 V202 V203G192-K194 PolarHBondContact O-N 2.8Å; K194-E197 HydrophobicContact CD-CB 4.17Å; K194-E197 WeakPolarHBondContact CE-OE2 3.45Å; K194-E197 IonicContact NZ-OE1 3.73Å; K194-E197 PolarHBondContact NZ-OE1 2.94Å; K194-E197 VanDerWaalsContact NZ-OE1 3.08Å; K194-E197 IonicContact NZ-OE2 2.61Å; K194-E197 PolarHBondContact NZ-OE2 3.37Å; K194-V202 HydrophobicContact CD-CG1 3.48Å; K194-V202 VanDerWaalsContact CD-CG1 3.48Å; K194-V202 HydrophobicContact CG-CG1 3.7Å; K194-V203 WeakPolarHBondContact CA-O 3.36Å
195V91.8Very high87.8Confident6 Ų675.8 Ų75.84%0.03640%0.396CS..EExtended strand (participates in β ladder)trans-100.5-15.2-176.9-71.40000113.7V193 V203 E205 H212 L214V193-V195 HydrophobicContact CG1-CG1 4.47Å; V193-V195 PolarHBondContact O-N 3.43Å; V195-V203 HydrophobicContact CG2-CB 4.13Å; V195-V203 HydrophobicContact CG2-CG1 3.88Å; V195-V203 WeakPolarHBondContact CG2-O 3.38Å; V195-V203 PolarHBondContact N-O 2.88Å; V195-E205 HydrophobicContact CG1-CB 3.79Å; V195-E205 HydrophobicContact CG2-CB 4.16Å; V195-H212 WeakPolarHBondContact CB-O 3.26Å; V195-H212 VanDerWaalsContact CG1-O 3.31Å; V195-H212 WeakPolarHBondContact CG1-O 3.34Å; V195-L214 HydrophobicContact CG2-CD1 3.89Å; V195-L214 HydrophobicContact CG2-CG 4.24Å; V195-L214 PolarHBondContact O-N 3.35Å; V195-L214 VanDerWaalsContact O-N 3.13Å
196Y92.7Very high87.6Confident30 Ų3077.8 Ų77.812%0.11840%0.402CS..EExtended strand (participates in β ladder)trans-154.3147173.6178.1-90.4000111.3D198 K201 V202 V203 L214 S216 V219Y196-D198 HydrophobicContact CE1-CB 3.89Å; Y196-D198 PolarHBondContact OH-OD2 2.83Å; Y196-D198 VanDerWaalsContact OH-OD2 3.07Å; Y196-K201 HydrophobicContact CE1-CD 4.31Å; Y196-K201 HydrophobicContact CE1-CG 3.98Å; Y196-V202 WeakPolarHBondContact O-CA 3.45Å; Y196-V203 HydrophobicContact CD1-CG2 4.15Å; Y196-V203 PolarHBondContact N-O 3.43Å; Y196-V203 PolarHBondContact O-N 3.1Å; Y196-L214 WeakPolarHBondContact CD2-O 3.4Å; Y196-S216 VanDerWaalsContact CE2-CA 3.43Å; Y196-S216 WeakPolarHBondContact OH-CB 3.39Å; Y196-S216 PolarHBondContact OH-OG 2.91Å; Y196-V219 HydrophobicContact CD1-CG1 4.28Å; Y196-V219 HydrophobicContact CD1-CG2 4.09Å; Y196-V219 HydrophobicContact CD2-CG2 3.92Å; Y196-V219 HydrophobicContact CE1-CG1 4.37Å; Y196-V219 HydrophobicContact CE2-CG2 4.45Å; Y196-V219 HydrophobicContact CG-CG2 3.69Å
197E93.7Very high86.9Confident118 Ų11881.7 Ų81.755%0.55142%0.42SS*.EExtended strand (participates in β ladder)trans-151.1129.2175.1177.1170.4-126.800109.8K194 V202K194-E197 HydrophobicContact CD-CB 4.17Å; K194-E197 WeakPolarHBondContact CE-OE2 3.45Å; K194-E197 IonicContact NZ-OE1 3.73Å; K194-E197 PolarHBondContact NZ-OE1 2.94Å; K194-E197 VanDerWaalsContact NZ-OE1 3.08Å; K194-E197 IonicContact NZ-OE2 2.61Å; K194-E197 PolarHBondContact NZ-OE2 3.37Å; E197-V202 HydrophobicContact CB-CG1 4.49Å; E197-V202 HydrophobicContact CG-CG2 4.23Å
198D90.3Very high85.8Confident50 Ų5078.1 Ų78.127%0.26741%0.41SS..  trans-127.6-164.6166.97220000110.8Y196 Q200 K201Y196-D198 HydrophobicContact CE1-CB 3.89Å; Y196-D198 PolarHBondContact OH-OD2 2.83Å; Y196-D198 VanDerWaalsContact OH-OD2 3.07Å; D198-Q200 PolarHBondContact O-N 3.3Å; D198-Q200 WeakPolarHBondContact OD1-CA 3.48Å; D198-Q200 PolarHBondContact OD1-N 2.76Å; D198-K201 PolarHBondContact N-O 2.94Å; D198-K201 WeakPolarHBondContact OD1-CG 3.27Å; D198-K201 PolarHBondContact OD1-N 3.27Å; D198-K201 WeakPolarHBondContact OD2-CG 3.41Å; D198-K201 IonicContact OD2-NZ 3.91Å; D198-K201 PolarHBondContact OD2-NZ 3.37Å
199E87.9Confident85Confident122 Ų12284.1 Ų84.157%0.5744%0.443SS*.SBendtrans-73.2-10.6179-74.3-149.2116.600114.8R152 K156R152-E199 IonicContact CZ-OE1 3.83Å; R152-E199 IonicContact NH1-OE1 3.41Å; R152-E199 PolarHBondContact NH1-OE1 3.3Å; R152-E199 IonicContact NH2-OE1 2.69Å; R152-E199 PolarHBondContact NH2-OE1 2.9Å; K156-E199 PolarHBondContact NZ-O 2.61Å; K156-E199 IonicContact NZ-OE1 2.92Å
200Q85.4Confident84.1Confident180 Ų18086.8 Ų86.884%0.84145%0.451SS*.SBendtrans-125.7-31.5-168.2-62.1-176-44.700114.5D198D198-Q200 PolarHBondContact O-N 3.3Å; D198-Q200 WeakPolarHBondContact OD1-CA 3.48Å; D198-Q200 PolarHBondContact OD1-N 2.76Å
201K90.3Very high83.6Confident52 Ų5281.8 Ų81.823%0.22643%0.433CS..  trans-140.6150-174.257.4177.8-178.1-64.90112.2Y196 D198 V219 E220 I223Y196-K201 HydrophobicContact CE1-CD 4.31Å; Y196-K201 HydrophobicContact CE1-CG 3.98Å; D198-K201 PolarHBondContact N-O 2.94Å; D198-K201 WeakPolarHBondContact OD1-CG 3.27Å; D198-K201 PolarHBondContact OD1-N 3.27Å; D198-K201 WeakPolarHBondContact OD2-CG 3.41Å; D198-K201 IonicContact OD2-NZ 3.91Å; D198-K201 PolarHBondContact OD2-NZ 3.37Å; K201-V219 HydrophobicContact CD-CG1 4.11Å; K201-E220 IonicContact NZ-OE2 3.7Å; K201-I223 HydrophobicContact CD-CD1 3.98Å
202V91.6Very high83.4Confident68 Ų6879.1 Ų79.141%0.41242%0.421SS..EExtended strand (participates in β ladder)trans-133.3131176.5-170.60000108.2K194 Y196 E197 H204K194-V202 HydrophobicContact CD-CG1 3.48Å; K194-V202 VanDerWaalsContact CD-CG1 3.48Å; K194-V202 HydrophobicContact CG-CG1 3.7Å; Y196-V202 WeakPolarHBondContact O-CA 3.45Å; E197-V202 HydrophobicContact CB-CG1 4.49Å; E197-V202 HydrophobicContact CG-CG2 4.23Å; V202-H204 VanDerWaalsContact CG1-CE1 3.41Å; V202-H204 WeakPolarHBondContact CG1-CE1 3.36Å
203V92Very high83.5Confident39 Ų3985 Ų8524%0.23645%0.448CS..EExtended strand (participates in β ladder)trans-113.1128.5-178.8-172.90000109.5K194 V195 Y196 L214 V219K194-V203 WeakPolarHBondContact CA-O 3.36Å; V195-V203 HydrophobicContact CG2-CB 4.13Å; V195-V203 HydrophobicContact CG2-CG1 3.88Å; V195-V203 WeakPolarHBondContact CG2-O 3.38Å; V195-V203 PolarHBondContact N-O 2.88Å; Y196-V203 HydrophobicContact CD1-CG2 4.15Å; Y196-V203 PolarHBondContact N-O 3.43Å; Y196-V203 PolarHBondContact O-N 3.1Å; V203-L214 HydrophobicContact CG1-CD1 4.25Å; V203-V219 HydrophobicContact CG2-CG1 3.82Å; V203-V219 HydrophobicContact CG2-CG2 4.15Å
204H92.3Very high83.4Confident44 Ų4482.7 Ų82.720%0.20443%0.433CS..EExtended strand (participates in β ladder)trans-115.6125.3177.6-63.490.3000109.9L188 G192 V193 V202L188-H204 HydrophobicContact CB-CB 4.22Å; G192-H204 PolarHBondContact O-CD2 3.29Å; V193-H204 CarbonylContact O-C 3.53Å; V193-H204 VanDerWaalsContact O-CA 3.31Å; V193-H204 WeakPolarHBondContact O-CA 3.46Å; V202-H204 VanDerWaalsContact CG1-CE1 3.41Å; V202-H204 WeakPolarHBondContact CG1-CE1 3.36Å
205E91.1Very high83.4Confident47 Ų4780.6 Ų80.622%0.2243%0.431CS..EExtended strand (participates in β ladder)trans-86.6116.6173.3-176.8168.5-162.600109.4G192 V193 V195 G208 H212G192-E205 CarbonylContact C-O 3.56Å; G192-E205 VanDerWaalsContact CA-O 3.32Å; G192-E205 WeakPolarHBondContact CA-O 3.48Å; V193-E205 PolarHBondContact N-O 3.26Å; V193-E205 PolarHBondContact O-N 2.68Å; V195-E205 HydrophobicContact CG1-CB 3.79Å; V195-E205 HydrophobicContact CG2-CB 4.16Å; E205-G208 WeakPolarHBondContact OE1-CA 3.4Å; E205-H212 PolarHBondContact OE2-N 3.05Å
206M83.8Confident83.5Confident98 Ų9883.2 Ų83.248%0.48345%0.45SS..SBendtrans-90.5-16.8-174.1-15694.679.900113.6L188 Q191L188-M206 HydrophobicContact CD1-CE 4.14Å; L188-M206 HydrophobicContact CD2-CE 4.07Å; Q191-M206 HydrophobicContact CB-SD 3.88Å
207N72.1Confident83.5Confident156 Ų15687 Ų8783%0.83448%0.475SS*.SBendtrans-145.923.1-158.5-135.886.5000114.6
208G60.6Low83.4Confident39 Ų3984.9 Ų84.940%0.40247%0.465SS..  trans-96.5123.5178.500000112.8E205 D210E205-G208 WeakPolarHBondContact OE1-CA 3.4Å; G208-D210 PolarHBondContact O-N 3.49Å
209D62.1Low83.5Confident164 Ų16482.7 Ų82.788%0.87745%0.454SS*.SBendtrans-66.8-14160-67.1-63000112
210D62Low83.8Confident129 Ų12981.8 Ų81.869%0.6945%0.45SS*.SBendtrans-134.197.1-174-163.911.8000108.5G208 H212G208-D210 PolarHBondContact O-N 3.49Å; D210-H212 PolarHBondContact O-N 3.07Å
211A66.3Low84.2Confident62 Ų6277.9 Ų77.951%0.51243%0.432SS..  trans-71.493.6-172.700000111.1V193V193-A211 HydrophobicContact CG1-CB 4.13Å
212H79.3Confident84.4Confident67 Ų6776.8 Ų76.831%0.3143%0.428SS..  trans-92.4109.1-171.6-179.3-75.7000111.2V195 E205 D210 L214 E218V195-H212 WeakPolarHBondContact CB-O 3.26Å; V195-H212 VanDerWaalsContact CG1-O 3.31Å; V195-H212 WeakPolarHBondContact CG1-O 3.34Å; E205-H212 PolarHBondContact OE2-N 3.05Å; D210-H212 PolarHBondContact O-N 3.07Å; H212-L214 PolarHBondContact O-N 3.46Å; H212-E218 IonicContact CE1-OE1 2.76Å; H212-E218 PolarHBondContact CE1-OE1 3.32Å
213L86.6Confident84.5Confident134 Ų13476.1 Ų76.170%0.70242%0.422SS*.  trans-59.6112.2170.7-65.5179.5000110.2
214L88.5Confident84.6Confident33 Ų3379.8 Ų79.817%0.17344%0.436CS..  trans-81.3136.9179.9-64.2170.2000109.8V195 Y196 V203 H212 E218 V219V195-L214 HydrophobicContact CG2-CD1 3.89Å; V195-L214 HydrophobicContact CG2-CG 4.24Å; V195-L214 PolarHBondContact O-N 3.35Å; V195-L214 VanDerWaalsContact O-N 3.13Å; Y196-L214 WeakPolarHBondContact CD2-O 3.4Å; V203-L214 HydrophobicContact CG1-CD1 4.25Å; H212-L214 PolarHBondContact O-N 3.46Å; L214-E218 HydrophobicContact CD2-CB 4.3Å; L214-V219 HydrophobicContact CB-CG2 3.66Å; L214-V219 HydrophobicContact CD1-CG2 4.11Å
215S91.6Very high84.7Confident54 Ų5480.2 Ų80.238%0.37844%0.437SS..  trans-75.6161.2168.871.60000111.3V217 E218 V219S215-V217 PolarHBondContact O-N 3.03Å; S215-V217 VanDerWaalsContact O-N 3.12Å; S215-E218 WeakPolarHBondContact CA-OE2 3.35Å; S215-E218 WeakPolarHBondContact CB-OE2 3.42Å; S215-E218 PolarHBondContact N-OE2 2.91Å; S215-E218 PolarHBondContact O-N 2.93Å; S215-E218 WeakPolarHBondContact OG-CG 3.38Å; S215-E218 PolarHBondContact OG-N 2.94Å; S215-E218 PolarHBondContact OG-OE2 3.15Å; S215-V219 WeakPolarHBondContact O-CG2 3.39Å; S215-V219 PolarHBondContact O-N 3.33Å
216S92.9Very high84.8Confident62 Ų6278 Ų7843%0.43443%0.427SS..Hα-helixtrans-59-25.9177.8-164.20000113.9Y196 E220Y196-S216 VanDerWaalsContact CE2-CA 3.43Å; Y196-S216 WeakPolarHBondContact OH-CB 3.39Å; Y196-S216 PolarHBondContact OH-OG 2.91Å; S216-E220 WeakPolarHBondContact O-CB 3.41Å; S216-E220 PolarHBondContact O-N 2.86Å
217V92.8Very high85.3Confident109 Ų10978 Ų7866%0.66143%0.429SS*.Hα-helixtrans-78.4-43.3179.4-179.20000110.1S215 V219 E220 E221S215-V217 PolarHBondContact O-N 3.03Å; S215-V217 VanDerWaalsContact O-N 3.12Å; V217-V219 VanDerWaalsContact C-N 3.33Å; V217-V219 PolarHBondContact O-N 3.48Å; V217-E220 PolarHBondContact O-N 3.21Å; V217-E221 WeakPolarHBondContact O-CB 3.43Å; V217-E221 PolarHBondContact O-N 3.3Å
218E91.8Very high86.2Confident73 Ų7375.8 Ų75.834%0.34141%0.414SS..Hα-helixtrans-64.1-37.7176.2-68.1162110.100111.9H212 L214 S215 L222H212-E218 IonicContact CE1-OE1 2.76Å; H212-E218 PolarHBondContact CE1-OE1 3.32Å; L214-E218 HydrophobicContact CD2-CB 4.3Å; S215-E218 WeakPolarHBondContact CA-OE2 3.35Å; S215-E218 WeakPolarHBondContact CB-OE2 3.42Å; S215-E218 PolarHBondContact N-OE2 2.91Å; S215-E218 PolarHBondContact O-N 2.93Å; S215-E218 WeakPolarHBondContact OG-CG 3.38Å; S215-E218 PolarHBondContact OG-N 2.94Å; S215-E218 PolarHBondContact OG-OE2 3.15Å; E218-L222 WeakPolarHBondContact O-CB 3.37Å; E218-L222 PolarHBondContact O-N 3.35Å
219V93.3Very high87.4Confident4 Ų475 Ų752%0.02440%0.403CS..Hα-helixtrans-64.6-45175173.10000111.3Y196 K201 V203 L214 S215 V217 L222 I223Y196-V219 HydrophobicContact CD1-CG1 4.28Å; Y196-V219 HydrophobicContact CD1-CG2 4.09Å; Y196-V219 HydrophobicContact CD2-CG2 3.92Å; Y196-V219 HydrophobicContact CE1-CG1 4.37Å; Y196-V219 HydrophobicContact CE2-CG2 4.45Å; Y196-V219 HydrophobicContact CG-CG2 3.69Å; K201-V219 HydrophobicContact CD-CG1 4.11Å; V203-V219 HydrophobicContact CG2-CG1 3.82Å; V203-V219 HydrophobicContact CG2-CG2 4.15Å; L214-V219 HydrophobicContact CB-CG2 3.66Å; L214-V219 HydrophobicContact CD1-CG2 4.11Å; S215-V219 WeakPolarHBondContact O-CG2 3.39Å; S215-V219 PolarHBondContact O-N 3.33Å; V217-V219 VanDerWaalsContact C-N 3.33Å; V217-V219 PolarHBondContact O-N 3.48Å; V219-L222 PolarHBondContact O-N 2.8Å; V219-I223 HydrophobicContact CG1-CD1 3.89Å; V219-I223 VanDerWaalsContact O-CG1 3.28Å; V219-I223 WeakPolarHBondContact O-CG1 3.21Å; V219-I223 PolarHBondContact O-N 2.9Å
220E94Very high88.7Confident103 Ų10369 Ų6948%0.48137%0.374SS..Hα-helixtrans-69.2-41.1-179.8-158.967.4-156.300111.8K201 S216 V217 L222 I223 H224K201-E220 IonicContact NZ-OE2 3.7Å; S216-E220 WeakPolarHBondContact O-CB 3.41Å; S216-E220 PolarHBondContact O-N 2.86Å; V217-E220 PolarHBondContact O-N 3.21Å; E220-L222 VanDerWaalsContact C-N 3.3Å; E220-L222 PolarHBondContact O-N 3.49Å; E220-I223 PolarHBondContact O-N 3.26Å; E220-H224 WeakPolarHBondContact O-CB 3.33Å; E220-H224 PolarHBondContact O-N 3.3Å
221E94.2Very high89.7Confident99 Ų9967.7 Ų67.746%0.46337%0.37SS..Hα-helixtrans-60.8-40.1173.1-170.3-168.9144.900111.3V217 H224 K225V217-E221 WeakPolarHBondContact O-CB 3.43Å; V217-E221 PolarHBondContact O-N 3.3Å; E221-H224 PolarHBondContact O-N 3.28Å; E221-K225 HydrophobicContact CG-CD 4.23Å; E221-K225 WeakPolarHBondContact O-CB 3.29Å; E221-K225 WeakPolarHBondContact O-CG 3.28Å; E221-K225 PolarHBondContact O-N 2.95Å; E221-K225 WeakPolarHBondContact OE1-CE 3.25Å; E221-K225 IonicContact OE1-NZ 3.15Å; E221-K225 PolarHBondContact OE1-NZ 2.81Å
222L93.4Very high89.9Confident29 Ų2971.1 Ų71.115%0.15238%0.377CS..Hα-helixtrans-67.5-39.6178.3-176.963.9000112.3I164 V166 T175 V177 E218 V219 E220 A226I164-L222 HydrophobicContact CD1-CD2 4.41Å; I164-L222 HydrophobicContact CD1-CG 4.08Å; I164-L222 HydrophobicContact CG2-CD1 3.96Å; I164-L222 HydrophobicContact CG2-CG 4.17Å; V166-L222 HydrophobicContact CG1-CD1 3.5Å; V166-L222 VanDerWaalsContact CG1-CD1 3.5Å; V166-L222 HydrophobicContact CG1-CD2 4.38Å; T175-L222 HydrophobicContact CG2-CD1 4.47Å; V177-L222 HydrophobicContact CG2-CD1 3.61Å; E218-L222 WeakPolarHBondContact O-CB 3.37Å; E218-L222 PolarHBondContact O-N 3.35Å; V219-L222 PolarHBondContact O-N 2.8Å; E220-L222 VanDerWaalsContact C-N 3.3Å; E220-L222 PolarHBondContact O-N 3.49Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 3.22Å
223I94.3Very high89.2Confident54 Ų5472.2 Ų72.228%0.27739%0.393SS..Hα-helixtrans-63.6-47.7173.6-68.3163.7000109.8I164 K201 V219 E220 K225 A226 D227I164-I223 HydrophobicContact CD1-CG1 4.48Å; K201-I223 HydrophobicContact CD-CD1 3.98Å; V219-I223 HydrophobicContact CG1-CD1 3.89Å; V219-I223 VanDerWaalsContact O-CG1 3.28Å; V219-I223 WeakPolarHBondContact O-CG1 3.21Å; V219-I223 PolarHBondContact O-N 2.9Å; E220-I223 PolarHBondContact O-N 3.26Å; I223-K225 PolarHBondContact O-N 3.36Å; I223-A226 CarbonylContact O-C 3.56Å; I223-A226 WeakPolarHBondContact O-CA 3.44Å; I223-A226 WeakPolarHBondContact O-CB 3.23Å; I223-A226 PolarHBondContact O-N 2.84Å; I223-D227 PolarHBondContact O-N 2.67Å
224H94.6Very high87.7Confident115 Ų11572.9 Ų72.953%0.53239%0.392SS..Hα-helixtrans-59.3-46.7177.9-170.2-83000112.3E220 E221 A226 D227 E228E220-H224 WeakPolarHBondContact O-CB 3.33Å; E220-H224 PolarHBondContact O-N 3.3Å; E221-H224 PolarHBondContact O-N 3.28Å; H224-A226 VanDerWaalsContact C-N 3.26Å; H224-A226 PolarHBondContact O-N 3.27Å; H224-D227 PolarHBondContact O-N 2.74Å; H224-E228 IonicContact CE1-OE1 3.14Å; H224-E228 PolarHBondContact CE1-OE1 2.83Å; H224-E228 IonicContact ND1-OE1 2.72Å; H224-E228 PolarHBondContact ND1-OE1 3.41Å; H224-E228 IonicContact ND1-OE2 2.69Å; H224-E228 WeakPolarHBondContact O-CG 3.41Å; H224-E228 PolarHBondContact O-N 2.95Å
225K93.8Very high85.6Confident54 Ų5473.5 Ų73.524%0.23540%0.399CS..Hα-helixtrans-62.8-31.5174.5-76.8175166.4175.30112.6T175 V177 E221 I223 A229T175-K225 PolarHBondContact O-NZ 2.91Å; V177-K225 HydrophobicContact CG2-CB 3.72Å; E221-K225 HydrophobicContact CG-CD 4.23Å; E221-K225 WeakPolarHBondContact O-CB 3.29Å; E221-K225 WeakPolarHBondContact O-CG 3.28Å; E221-K225 PolarHBondContact O-N 2.95Å; E221-K225 WeakPolarHBondContact OE1-CE 3.25Å; E221-K225 IonicContact OE1-NZ 3.15Å; E221-K225 PolarHBondContact OE1-NZ 2.81Å; I223-K225 PolarHBondContact O-N 3.36Å; K225-A229 VanDerWaalsContact O-CB 3.27Å; K225-A229 WeakPolarHBondContact O-CB 3.49Å; K225-A229 PolarHBondContact O-N 3.23Å
226A93.6Very high83.1Confident1 Ų177.5 Ų77.51%0.00842%0.421CS..Hα-helixtrans-71.7-39.9174.900000112I164 V177 T180 L222 I223 H224 A229 S230I164-A226 HydrophobicContact CD1-CB 3.74Å; I164-A226 HydrophobicContact CG1-CB 3.92Å; I164-A226 HydrophobicContact CG2-CB 3.97Å; V177-A226 HydrophobicContact CG1-CB 4.4Å; T180-A226 WeakPolarHBondContact CG2-O 3.47Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 3.22Å; I223-A226 CarbonylContact O-C 3.56Å; I223-A226 WeakPolarHBondContact O-CA 3.44Å; I223-A226 WeakPolarHBondContact O-CB 3.23Å; I223-A226 PolarHBondContact O-N 2.84Å; H224-A226 VanDerWaalsContact C-N 3.26Å; H224-A226 PolarHBondContact O-N 3.27Å; A226-A229 PolarHBondContact O-N 2.89Å; A226-S230 WeakPolarHBondContact O-CB 3.44Å; A226-S230 PolarHBondContact O-N 3.3Å
227D93.4Very high80.6Confident97 Ų9780.4 Ų80.452%0.51944%0.436SS..Hα-helixtrans-65-43.6173.8-72-22.1000111.5I223 H224 A229 S230 V231I223-D227 PolarHBondContact O-N 2.67Å; H224-D227 PolarHBondContact O-N 2.74Å; D227-A229 PolarHBondContact O-N 3.37Å; D227-S230 VanDerWaalsContact O-CB 3.22Å; D227-S230 WeakPolarHBondContact O-CB 3.43Å; D227-S230 PolarHBondContact O-N 3.48Å; D227-V231 WeakPolarHBondContact O-CG2 3.43Å; D227-V231 PolarHBondContact O-N 3.22Å
228E91.4Very high77.9Confident110 Ų11081.2 Ų81.251%0.51444%0.442SS..Hα-helixtrans-58.6-46.1172-72.7179.6154.100112H224 S230 V231 M232H224-E228 IonicContact CE1-OE1 3.14Å; H224-E228 PolarHBondContact CE1-OE1 2.83Å; H224-E228 IonicContact ND1-OE1 2.72Å; H224-E228 PolarHBondContact ND1-OE1 3.41Å; H224-E228 IonicContact ND1-OE2 2.69Å; H224-E228 WeakPolarHBondContact O-CG 3.41Å; H224-E228 PolarHBondContact O-N 2.95Å; E228-S230 VanDerWaalsContact C-N 3.3Å; E228-S230 PolarHBondContact O-N 3.03Å; E228-V231 PolarHBondContact O-N 3.43Å; E228-M232 WeakPolarHBondContact O-CB 3.42Å; E228-M232 PolarHBondContact O-N 2.91Å
229A86.4Confident75.3Confident23 Ų2382.1 Ų82.119%0.1946%0.461CS..Hα-helixtrans-64.3-34.4175.900000112.2V177 K225 A226 D227 S233V177-A229 HydrophobicContact CB-CB 4.38Å; V177-A229 HydrophobicContact CG1-CB 3.99Å; K225-A229 VanDerWaalsContact O-CB 3.27Å; K225-A229 WeakPolarHBondContact O-CB 3.49Å; K225-A229 PolarHBondContact O-N 3.23Å; A226-A229 PolarHBondContact O-N 2.89Å; D227-A229 PolarHBondContact O-N 3.37Å; A229-S233 WeakPolarHBondContact O-CB 3.46Å; A229-S233 PolarHBondContact O-N 3.26Å; A229-S233 PolarHBondContact O-OG 2.93Å
230S88.8Confident72.3Confident38 Ų3888.5 Ų88.527%0.26650%0.501SS..Hα-helixtrans-60.4-53.1172.5-160.70000110.5A226 D227 E228 M232 S233 H234A226-S230 WeakPolarHBondContact O-CB 3.44Å; A226-S230 PolarHBondContact O-N 3.3Å; D227-S230 VanDerWaalsContact O-CB 3.22Å; D227-S230 WeakPolarHBondContact O-CB 3.43Å; D227-S230 PolarHBondContact O-N 3.48Å; E228-S230 VanDerWaalsContact C-N 3.3Å; E228-S230 PolarHBondContact O-N 3.03Å; S230-M232 PolarHBondContact O-N 3.31Å; S230-S233 WeakPolarHBondContact O-CB 3.38Å; S230-S233 PolarHBondContact O-N 2.98Å; S230-H234 PolarHBondContact O-N 3.35Å; S230-H234 PolarHBondContact O-ND1 2.7Å
231V82.3Confident69.3Low100 Ų10088.6 Ų88.661%0.60651%0.513SS*.Hα-helixtrans-63.8-42.6-179.1175.90000111.3D227 E228 S233 H234 S235D227-V231 WeakPolarHBondContact O-CG2 3.43Å; D227-V231 PolarHBondContact O-N 3.22Å; E228-V231 PolarHBondContact O-N 3.43Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.48Å; V231-H234 PolarHBondContact O-N 2.84Å; V231-S235 PolarHBondContact O-N 3.29Å
232M71.8Confident66.6Low134 Ų13491.8 Ų91.866%0.6653%0.532SS*.Hα-helixtrans-63.4-32.7178.1-167.564.46600112.7E228 S230 H234 S235E228-M232 WeakPolarHBondContact O-CB 3.42Å; E228-M232 PolarHBondContact O-N 2.91Å; S230-M232 PolarHBondContact O-N 3.31Å; M232-H234 PolarHBondContact O-N 2.93Å; M232-S235 WeakPolarHBondContact CA-OG 3.43Å; M232-S235 PolarHBondContact O-N 2.89Å; M232-S235 PolarHBondContact O-OG 2.74Å
233S63.6Low64Low91 Ų9196.4 Ų96.464%0.63656%0.564SS**Hα-helixtrans-66.1-22.5174.6-59.10000113A229 S230 V231A229-S233 WeakPolarHBondContact O-CB 3.46Å; A229-S233 PolarHBondContact O-N 3.26Å; A229-S233 PolarHBondContact O-OG 2.93Å; S230-S233 WeakPolarHBondContact O-CB 3.38Å; S230-S233 PolarHBondContact O-N 2.98Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.48Å
234H54.3Low60.8Low147 Ų147100.6 Ų100.668%0.68159%0.592SS**Hα-helixtrans-97-13.2179.2-65.297000113.9S230 V231 M232S230-H234 PolarHBondContact O-N 3.35Å; S230-H234 PolarHBondContact O-ND1 2.7Å; V231-H234 PolarHBondContact O-N 2.84Å; M232-H234 PolarHBondContact O-N 2.93Å
235S45.4Very low57.8Low47 Ų4798 Ų9833%0.32960%0.597SS.*  trans-94.811.8-168.461.50000116.4V231 M232 T237 T238V231-S235 PolarHBondContact O-N 3.29Å; M232-S235 WeakPolarHBondContact CA-OG 3.43Å; M232-S235 PolarHBondContact O-N 2.89Å; M232-S235 PolarHBondContact O-OG 2.74Å; S235-T237 PolarHBondContact O-N 2.96Å; S235-T238 PolarHBondContact O-N 3.45Å
236V40Very low55Low137 Ų137104.8 Ų104.883%0.8363%0.629SS**THydrogen-bonded Turntrans-68.3-2.9177.2174.70000113.1
237T39.3Very low52.1Low124 Ų124111 Ų11176%0.76167%0.667SS**THydrogen-bonded Turntrans-118.834.8174.757.40000115S235S235-T237 PolarHBondContact O-N 2.96Å
238T36.5Very low49.1Very low125 Ų125112.9 Ų112.977%0.76768%0.676SS**  trans-162.2105.216015.10000113S235S235-T238 PolarHBondContact O-N 3.45Å
239A36.9Very low46.4Very low92 Ų92117.2 Ų117.276%0.7669%0.688SS**  trans-148.5155.9164.700000110
240T30.9Very low43.7Very low139 Ų139122.5 Ų122.585%0.85371%0.709SS**  trans82.9107.9-171.3-38.40000112.2
241S31.1Very low40.9Very low104 Ų104125.9 Ų125.973%0.72773%0.732SS**  cis-155.81511.6-73.90000111.8
242L37.8Very low38.3Very low167 Ų167125 Ų12587%0.87474%0.744SS**  trans-90.9161.1151.2-77.193.2000110
243P37.6Very low36.4Very low125 Ų125126.6 Ų126.681%0.81275%0.754SS**  trans-120130.9143.533-23.4000112.7
244T26.7Very low35.5Very low142 Ų142127.8 Ų127.887%0.87176%0.759SS**  trans-59147163.8-55.50000111.2
245G32.4Very low34.2Very low62 Ų62125 Ų12564%0.63976%0.761SS**  trans-106.3150.5168.200000112.1
246E34Very low33.5Very low196 Ų196131.3 Ų131.392%0.91679%0.786SS**  trans-158.7133.7149.9-115.4173.4-179.900113.5
247V33.4Very low33.1Very low130 Ų130130.4 Ų130.479%0.78878%0.783SS**  trans-23.3145.7169.3-158.40000118.9
248L29.9Very low32.9Very low138 Ų138133 Ų13372%0.72379%0.786SS**  153.4129.3108.2-169.462000118.5
249R34.9Very low33.1Very low201 Ų201132.8 Ų132.876%0.75879%0.787SS**  trans66.1147.1158-68.7-91.5174-173.9-6118.2
250E30.1Very low32.6Very low134 Ų134131.6 Ų131.663%0.62678%0.784SS**  cis-161.9162.9-10.8-154.3-178.376.300110.3
251S31.2Very low32.5Very low109 Ų109130.6 Ų130.676%0.76278%0.783SS**  trans67.3124.4153-69.70000121.4
252G27.3Very low32.2Very low82 Ų82131.6 Ų131.685%0.84578%0.784SS**  trans122.991.8149.800000118.1
253L30.7Very low31.8Very low166 Ų166134.4 Ų134.487%0.86978%0.784SS**  trans-103.9166.4154.1-86.6173.2000108.7
254P44.5Very low31.3Very low116 Ų116134.4 Ų134.475%0.75378%0.782SS**  cis-134.3-174.2-5.129.6-6.9000115.1
255A28Very low31.5Very low88 Ų88133.2 Ų133.273%0.72778%0.776SS**  trans114.9113.8143.300000118.8
256E30Very low31.3Very low181 Ų181135.9 Ų135.985%0.84679%0.785SS**  trans47.1112.6141.5-63.6-78.584.400120.2
257P31.5Very low31.1Very low118 Ų118135.7 Ų135.777%0.76678%0.784SS**  trans-99.4120.7169.535.7-27.9000113.7
258E35.7Very low30.8Very low177 Ų177133.9 Ų133.983%0.82778%0.783SS**  trans-123.7147.5142.7-78.6-73.7150.900104.8
259P40.9Very low30.9Very low121 Ų121135.6 Ų135.679%0.78679%0.792SS**  cis-146.9-17635.142.5-23.3000116.4
260G26.2Very low30.7Very low67 Ų67130.9 Ų130.969%0.69180%0.795SS**  83.690.1124.800000118.8
261S28.2Very low30.8Very low118 Ų118128.7 Ų128.783%0.82580%0.801SS**  trans-55.4145.5160.6-66.40000113.1
262T26Very low30.8Very low125 Ų125129.4 Ų129.477%0.76780%0.8SS**  -178.9102.2107.8-66.10000111.2
263W28Very low31.6Very low226 Ų226132.2 Ų132.286%0.85680%0.801SS**  -178.8106.8122.1-161.7-97.9000109.8
264T28.6Very low31.8Very low126 Ų126131.6 Ų131.677%0.77379%0.794SS**  trans-122.2129.3178.841.60000110.5
265P29.7Very low31.8Very low117 Ų117134.3 Ų134.376%0.7680%0.8SS**PPolyproline II helixtrans-78134.1160.4-7.225.1000109.5
266S28Very low32Very low118 Ų118136.1 Ų136.183%0.82580%0.803SS**PPolyproline II helixtrans-63.2132.5-172.9-50.30000114
267H30.4Very low32.2Very low191 Ų191130.2 Ų130.288%0.88479%0.79SS**PPolyproline II helixtrans-67.4127.9155.8-99.2-128.6000109.7
268A27.6Very low32.5Very low93 Ų93133.3 Ų133.377%0.76980%0.799SS**  trans-120.8128.4159.600000108.3A270A268-A270 PolarHBondContact O-N 3.36Å
269L32.3Very low32.7Very low174 Ų174133.5 Ų133.591%0.91180%0.8SS**  trans-65.2125.5174.9-101.370.4000110.9
270A29.1Very low32.5Very low101 Ų101132.5 Ų132.584%0.83580%0.802SS**  trans171.6137.714700000108.2A268A268-A270 PolarHBondContact O-N 3.36Å
271A32.1Very low33.1Very low89 Ų89135.4 Ų135.474%0.73681%0.806SS**  cis-146.2158-9.600000108.6T273A271-T273 PolarHBondContact O-N 3.2Å
272T33Very low34Very low123 Ų123134.9 Ų134.976%0.75581%0.809SS**  trans-67111.2163.342.60000108.6E274T272-E274 VanDerWaalsContact C-N 3.28Å; T272-E274 PolarHBondContact O-N 3.08Å
273T42.6Very low34.6Very low141 Ų141132.2 Ų132.287%0.86581%0.807SS**  trans-73.394.8161.9-39.50000106.9A271A271-T273 PolarHBondContact O-N 3.2Å
274E35.3Very low35Very low154 Ų154125 Ų12572%0.7280%0.802SS**  trans-55.8147.1174.8-63.4169.8122.300109.9T272 T276T272-E274 VanDerWaalsContact C-N 3.28Å; T272-E274 PolarHBondContact O-N 3.08Å; E274-T276 PolarHBondContact O-N 2.75Å
275I43.5Very low35.9Very low173 Ų173128.2 Ų128.289%0.88781%0.809SS**  trans-67.492.8169.1-56.5169.3000105.9G277I275-G277 PolarHBondContact O-N 3.09Å
276T32.6Very low36.7Very low126 Ų126128.3 Ų128.377%0.77381%0.809SS**  trans-57.5126.2-178.9-51.70000108.4E274E274-T276 PolarHBondContact O-N 2.75Å
277G34.4Very low37.6Very low57 Ų57131.5 Ų131.559%0.58881%0.811SS**  trans-58.7143.8-177.600000111.5I275 E279I275-G277 PolarHBondContact O-N 3.09Å; G277-E279 PolarHBondContact O-N 3.16Å
278L39.1Very low38.9Very low183 Ų183128.9 Ų128.996%0.95881%0.808SS**  trans-64.290.1156.4-84150.2000107.5A280L278-A280 PolarHBondContact O-N 3.47Å; L278-A280 VanDerWaalsContact O-N 3.08Å
279E38.5Very low40.3Very low181 Ų181128 Ų12885%0.84680%0.801SS**  trans-62.9109165.4-73-160.3116.800108.2G277 V281G277-E279 PolarHBondContact O-N 3.16Å; E279-V281 PolarHBondContact O-N 3.4Å
280A37.9Very low41.7Very low100 Ų100127.4 Ų127.483%0.82679%0.793SS**  trans-66.3103.1163.200000107.8L278 A282L278-A280 PolarHBondContact O-N 3.47Å; L278-A280 VanDerWaalsContact O-N 3.08Å; A280-A282 PolarHBondContact O-N 2.78Å
281V38.2Very low43.3Very low128 Ų128126 Ų12678%0.77678%0.782SS**  trans-60.6107.3171.1164.20000108.6E279 G283E279-V281 PolarHBondContact O-N 3.4Å; V281-G283 PolarHBondContact O-N 3.05Å
282A46.8Very low44.9Very low106 Ų106124.8 Ų124.888%0.87677%0.768SS**  trans-77.3100.2166.100000108.6A280A280-A282 PolarHBondContact O-N 2.78Å
283G38Very low46.6Very low70 Ų70124 Ų12472%0.72277%0.774SS**  trans172.299176.200000114.5V281V281-G283 PolarHBondContact O-N 3.05Å
284G38.3Very low47.8Very low74 Ų74125.9 Ų125.976%0.76377%0.773SS**SBendtrans133.3129.1173.600000111.8
285E46.7Very low49.8Very low194 Ų194123.7 Ų123.791%0.90777%0.766SS**  trans-58132.1172.2-72.7165.579.900109.9E287E285-E287 VanDerWaalsContact C-N 3.33Å; E285-E287 PolarHBondContact O-N 2.93Å
286P45.4Very low51.3Low119 Ų119120.2 Ų120.277%0.77376%0.755SS**  trans-72.594.3168.330.2-31.6000108.2V288P286-V288 PolarHBondContact O-N 3.21Å
287E46.8Very low53.8Low185 Ų185119.2 Ų119.286%0.86475%0.748SS**  trans-50.6130.1155.1-174.6177.6179.100107.4E285 A289E285-E287 VanDerWaalsContact C-N 3.33Å; E285-E287 PolarHBondContact O-N 2.93Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.38Å
288V57.7Low55.8Low135 Ų135122.2 Ų122.282%0.81876%0.755SS**  trans-71.385.4-171.6-178.80000109.1P286 E290P286-V288 PolarHBondContact O-N 3.21Å; V288-E290 PolarHBondContact O-N 3.09Å
289A58.5Low57.8Low75 Ų75121.7 Ų121.762%0.6275%0.75SS**  trans-64.1101.9169.700000108.2E287 A291E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.38Å; A289-A291 PolarHBondContact O-N 3.43Å
290E60.2Low59.6Low161 Ų161118.7 Ų118.775%0.75274%0.744SS**  trans-59.3126.7-177-169173-173.200110.5V288 S292V288-E290 PolarHBondContact O-N 3.09Å; E290-S292 PolarHBondContact O-N 3.29Å; E290-S292 PolarHBondContact O-OG 3.02Å
291A63.1Low61.7Low73 Ų73120.6 Ų120.660%0.60373%0.734SS**  trans-58.1111.1-174.800000110.3A289 V297A289-A291 PolarHBondContact O-N 3.43Å; A291-V297 HydrophobicContact CB-CG2 3.78Å
292S67.3Low63.8Low63 Ų63123.3 Ų123.344%0.44174%0.74SS.*BIsolated β-bridgetrans-126.7163.1-169.6-65.40000110.3E290 E294 N295E290-S292 PolarHBondContact O-N 3.29Å; E290-S292 PolarHBondContact O-OG 3.02Å; S292-E294 PolarHBondContact O-N 2.88Å; S292-E294 VanDerWaalsContact O-N 3.08Å; S292-N295 CarbonylContact O-C 3.22Å; S292-N295 PolarHBondContact O-N 3.46Å
293A67.3Low65.4Low106 Ų106120.3 Ų120.388%0.87672%0.72SS**THydrogen-bonded Turntrans-57.2-28.2-177.800000113.8
294E69.1Low67Low181 Ų181127.3 Ų127.385%0.84673%0.726SS**THydrogen-bonded Turntrans-89.1-14177.4-71.5150148.100113.5S292S292-E294 PolarHBondContact O-N 2.88Å; S292-E294 VanDerWaalsContact O-N 3.08Å
295N76Confident68.8Low107 Ų107132 Ų13257%0.57273%0.728SS**BIsolated β-bridgetrans-12974.8177.5-79.7-14.8000110.9S292 V297S292-N295 CarbonylContact O-C 3.22Å; S292-N295 PolarHBondContact O-N 3.46Å; N295-V297 PolarHBondContact O-N 3.08Å
296P75.6Confident69.9Low101 Ų101132.4 Ų132.466%0.65673%0.73SS**  trans-71.2118.8-179.528.4-34.6000112.1T298P296-T298 PolarHBondContact O-N 2.91Å
297V85.1Confident71.4Confident104 Ų104130.1 Ų130.163%0.6371%0.713SS**  trans-78.1114.5175.2179.50000109.9A291 N295A291-V297 HydrophobicContact CB-CG2 3.78Å; N295-V297 PolarHBondContact O-N 3.08Å
298T76.4Confident72.7Confident120 Ų120131.4 Ų131.474%0.73672%0.719SS**  trans-90.6108.6175.8-580000110.3P296 V300P296-T298 PolarHBondContact O-N 2.91Å; T298-V300 HydrophobicContact CG2-CG2 4.31Å
299M80.3Confident73.5Confident172 Ų172128 Ų12885%0.84770%0.696SS**  trans-86.3123.1169.9-74.1175.453.300110.4
300V78.1Confident74.3Confident118 Ų118130 Ų13072%0.71569%0.693SS**  trans-102.6120.9175.9-179.80000109.5T298 M302T298-V300 HydrophobicContact CG2-CG2 4.31Å; V300-M302 PolarHBondContact O-N 3.33Å
301F82.1Confident74.9Confident140 Ų140127.5 Ų127.561%0.61469%0.685SS**  trans-80.1108.1176-176.7-104.4000110.5G303 Y304F301-G303 VanDerWaalsContact C-N 3.34Å; F301-G303 VanDerWaalsContact CE1-CA 3.42Å; F301-Y304 HydrophobicContact CE1-CD2 4.36Å; F301-Y304 HydrophobicContact CE1-CE2 4.16Å; F301-Y304 HydrophobicContact CE2-CD1 4.26Å; F301-Y304 AromaticContact CE2-CE1 3.96Å; F301-Y304 HydrophobicContact CE2-CE1 3.96Å; F301-Y304 HydrophobicContact CE2-CE2 4.44Å; F301-Y304 AromaticContact CZ-CD1 3.94Å; F301-Y304 HydrophobicContact CZ-CD1 3.94Å; F301-Y304 AromaticContact CZ-CD2 3.69Å; F301-Y304 HydrophobicContact CZ-CD2 3.69Å; F301-Y304 AromaticContact CZ-CE1 3.79Å; F301-Y304 HydrophobicContact CZ-CE1 3.79Å; F301-Y304 AromaticContact CZ-CE2 3.52Å; F301-Y304 HydrophobicContact CZ-CE2 3.52Å; F301-Y304 AromaticContact CZ-CG 3.89Å; F301-Y304 HydrophobicContact CZ-CG 3.89Å; F301-Y304 AromaticContact CZ-CZ 3.57Å
302M82.1Confident75.2Confident185 Ų185130 Ų13091%0.91168%0.684SS**  trans-87.11.5-178-62.9-17370.200114.3V300V300-M302 PolarHBondContact O-N 3.33Å
303G78.7Confident75.2Confident43 Ų43129.3 Ų129.344%0.44368%0.677SS.*  trans114.5172-176.700000113.3F301F301-G303 VanDerWaalsContact C-N 3.34Å; F301-G303 VanDerWaalsContact CE1-CA 3.42Å
304Y72.3Confident75.4Confident218 Ų218130 Ų13086%0.85566%0.657SS**  trans-91.5125.7167.3-61.5-73.2000108.7F301F301-Y304 HydrophobicContact CE1-CD2 4.36Å; F301-Y304 HydrophobicContact CE1-CE2 4.16Å; F301-Y304 HydrophobicContact CE2-CD1 4.26Å; F301-Y304 AromaticContact CE2-CE1 3.96Å; F301-Y304 HydrophobicContact CE2-CE1 3.96Å; F301-Y304 HydrophobicContact CE2-CE2 4.44Å; F301-Y304 AromaticContact CZ-CD1 3.94Å; F301-Y304 HydrophobicContact CZ-CD1 3.94Å; F301-Y304 AromaticContact CZ-CD2 3.69Å; F301-Y304 HydrophobicContact CZ-CD2 3.69Å; F301-Y304 AromaticContact CZ-CE1 3.79Å; F301-Y304 HydrophobicContact CZ-CE1 3.79Å; F301-Y304 AromaticContact CZ-CE2 3.52Å; F301-Y304 HydrophobicContact CZ-CE2 3.52Å; F301-Y304 AromaticContact CZ-CG 3.89Å; F301-Y304 HydrophobicContact CZ-CG 3.89Å; F301-Y304 AromaticContact CZ-CZ 3.57Å
305Q77.4Confident75.4Confident173 Ų173130.2 Ų130.281%0.80866%0.655SS**  trans-114.8119.7170.5-175.7142.756.900108.4V307Q305-V307 HydrophobicContact CG-CG1 4.38Å; Q305-V307 PolarHBondContact O-N 2.87Å
306E68.9Low74.9Confident202 Ų202131 Ų13194%0.94466%0.664SS**  trans-66.5121.3169.6-67.2-175.8169.700108.3
307V76.1Confident74.5Confident70 Ų70131.5 Ų131.542%0.42466%0.66SS.*  trans-112.8115.1178.2-68.80000108.8Q305 D309 E310 T313Q305-V307 HydrophobicContact CG-CG1 4.38Å; Q305-V307 PolarHBondContact O-N 2.87Å; V307-D309 PolarHBondContact O-N 3.11Å; V307-E310 HydrophobicContact CG2-CG 4.44Å; V307-T313 HydrophobicContact CG1-CG2 4.13Å
308E74Confident73.2Confident213 Ų213129.3 Ų129.3100%0.99566%0.659SS**SBendtrans-66.8-23.1177.7-93.7178.484.500112.8
309D76Confident72.4Confident62 Ų62129.2 Ų129.233%0.33265%0.653SS.*  trans-138.4107.4177.3-169.8-44.7000110.5V307 D311 Q312 T313V307-D309 PolarHBondContact O-N 3.11Å; D309-D311 VanDerWaalsContact C-N 3.34Å; D309-D311 PolarHBondContact OD1-N 2.97Å; D309-Q312 HydrophobicContact CB-CB 4.12Å; D309-Q312 HydrophobicContact CB-CG 4.19Å; D309-Q312 PolarHBondContact OD1-N 3.09Å; D309-Q312 PolarHBondContact OD2-NE2 3.34Å; D309-T313 PolarHBondContact O-N 2.85Å; D309-T313 PolarHBondContact O-OG1 3.31Å
310E74.1Confident71.2Confident119 Ų119130.6 Ų130.656%0.55666%0.658SS**Hα-helixtrans-65.3-35.6179-64.5-169.573.300112.5V307 T313 R314V307-E310 HydrophobicContact CG2-CG 4.44Å; E310-T313 PolarHBondContact O-N 3.01Å; E310-R314 WeakPolarHBondContact O-CB 3.5Å; E310-R314 VanDerWaalsContact O-CD 3.3Å; E310-R314 WeakPolarHBondContact O-CD 3.43Å; E310-R314 WeakPolarHBondContact O-CG 3.24Å; E310-R314 PolarHBondContact O-N 3.44Å; E310-R314 IonicContact OE1-CZ 2.65Å; E310-R314 IonicContact OE1-NH2 3.94Å; E310-R314 PolarHBondContact OE1-NH2 3.14Å; E310-R314 IonicContact OE2-NH2 3.58Å
311D72.4Confident70.2Confident107 Ų107127.4 Ų127.457%0.57265%0.649SS**Hα-helixtrans-80.2-35.5-171.7-71.5-33.9000111.8D309 R314 K315D309-D311 VanDerWaalsContact C-N 3.34Å; D309-D311 PolarHBondContact OD1-N 2.97Å; D311-R314 IonicContact OD1-CZ 3.05Å; D311-R314 IonicContact OD1-NH1 3.73Å; D311-R314 PolarHBondContact OD1-NH1 3.1Å; D311-K315 VanDerWaalsContact O-CB 3.31Å; D311-K315 WeakPolarHBondContact O-CB 3.5Å; D311-K315 PolarHBondContact O-N 3.29Å; D311-K315 VanDerWaalsContact O-N 3.14Å
312Q69.9Low68.9Low127 Ų127127 Ų12759%0.59366%0.658SS**Hα-helixtrans-61.7-44.9167.3-71-176.160.300111D309 K315 V316D309-Q312 HydrophobicContact CB-CB 4.12Å; D309-Q312 HydrophobicContact CB-CG 4.19Å; D309-Q312 PolarHBondContact OD1-N 3.09Å; D309-Q312 PolarHBondContact OD2-NE2 3.34Å; Q312-K315 PolarHBondContact O-N 3.14Å; Q312-V316 WeakPolarHBondContact O-CG2 3.32Å; Q312-V316 PolarHBondContact O-N 2.77Å
313T67.7Low67.8Low48 Ų48125 Ų12529%0.29466%0.656SS.*Hα-helixtrans-62-47.4179.3-55.80000111.8V307 D309 E310 K315 V316 L317V307-T313 HydrophobicContact CG1-CG2 4.13Å; D309-T313 PolarHBondContact O-N 2.85Å; D309-T313 PolarHBondContact O-OG1 3.31Å; E310-T313 PolarHBondContact O-N 3.01Å; T313-K315 PolarHBondContact O-N 3.47Å; T313-V316 PolarHBondContact O-N 3.41Å; T313-L317 HydrophobicContact CG2-CD1 3.79Å; T313-L317 HydrophobicContact CG2-CG 4.32Å; T313-L317 WeakPolarHBondContact O-CB 3.39Å; T313-L317 WeakPolarHBondContact O-CG 3.39Å; T313-L317 PolarHBondContact O-N 3.22Å
314R70.6Confident66.6Low120 Ų120130.6 Ų130.645%0.45367%0.668SS.*Hα-helixtrans-57-37.5175.3-71.2160.2-166.7-179.2-0.2112.2E310 D311 G318 L319E310-R314 WeakPolarHBondContact O-CB 3.5Å; E310-R314 VanDerWaalsContact O-CD 3.3Å; E310-R314 WeakPolarHBondContact O-CD 3.43Å; E310-R314 WeakPolarHBondContact O-CG 3.24Å; E310-R314 PolarHBondContact O-N 3.44Å; E310-R314 IonicContact OE1-CZ 2.65Å; E310-R314 IonicContact OE1-NH2 3.94Å; E310-R314 PolarHBondContact OE1-NH2 3.14Å; E310-R314 IonicContact OE2-NH2 3.58Å; D311-R314 IonicContact OD1-CZ 3.05Å; D311-R314 IonicContact OD1-NH1 3.73Å; D311-R314 PolarHBondContact OD1-NH1 3.1Å; R314-G318 PolarHBondContact O-N 3.37Å; R314-L319 PolarHBondContact O-N 3.41Å
315K70.4Confident65.7Low185 Ų185124.9 Ų124.980%0.80467%0.666SS**Hα-helixtrans-77-32.8-177.9-153.9173.3-167.6175.70113.5D311 Q312 T313D311-K315 VanDerWaalsContact O-CB 3.31Å; D311-K315 WeakPolarHBondContact O-CB 3.5Å; D311-K315 PolarHBondContact O-N 3.29Å; D311-K315 VanDerWaalsContact O-N 3.14Å; Q312-K315 PolarHBondContact O-N 3.14Å; T313-K315 PolarHBondContact O-N 3.47Å
316V64.8Low64.3Low124 Ų124123.3 Ų123.375%0.75266%0.659SS**Hα-helixtrans-77.4-39.9176170.70000111.7Q312 T313 G318Q312-V316 WeakPolarHBondContact O-CG2 3.32Å; Q312-V316 PolarHBondContact O-N 2.77Å; T313-V316 PolarHBondContact O-N 3.41Å; V316-G318 VanDerWaalsContact C-N 3.28Å; V316-G318 PolarHBondContact O-N 3.02Å
317L66.5Low63.6Low111 Ų111121 Ų12158%0.58165%0.652SS**THydrogen-bonded Turntrans-80.6-4.6-179.8-63-179.5000114T313 L319T313-L317 HydrophobicContact CG2-CD1 3.79Å; T313-L317 HydrophobicContact CG2-CG 4.32Å; T313-L317 WeakPolarHBondContact O-CB 3.39Å; T313-L317 WeakPolarHBondContact O-CG 3.39Å; T313-L317 PolarHBondContact O-N 3.22Å; L317-L319 HydrophobicContact CB-CD1 3.88Å; L317-L319 HydrophobicContact CB-CG 4.08Å; L317-L319 HydrophobicContact CD1-CD1 4.04Å; L317-L319 PolarHBondContact O-N 3.39Å; L317-L319 VanDerWaalsContact O-N 3.16Å
318G58.7Low63.1Low59 Ų59123 Ų12361%0.60866%0.664SS**THydrogen-bonded Turntrans63.320.6177.200000114.6R314 V316 Q320R314-G318 PolarHBondContact O-N 3.37Å; V316-G318 VanDerWaalsContact C-N 3.28Å; V316-G318 PolarHBondContact O-N 3.02Å; G318-Q320 VanDerWaalsContact C-N 3.3Å; G318-Q320 PolarHBondContact O-N 2.98Å
319L59.6Low62.4Low117 Ų117119.5 Ų119.561%0.61365%0.651SS**  trans-73.777.4-173.1-78.8164.6000112R314 L317 G321R314-L319 PolarHBondContact O-N 3.41Å; L317-L319 HydrophobicContact CB-CD1 3.88Å; L317-L319 HydrophobicContact CB-CG 4.08Å; L317-L319 HydrophobicContact CD1-CD1 4.04Å; L317-L319 PolarHBondContact O-N 3.39Å; L317-L319 VanDerWaalsContact O-N 3.16Å; L319-G321 PolarHBondContact O-N 3.23Å
320Q54.3Low61.6Low201 Ų201123.1 Ų123.194%0.93967%0.669SS**  trans-77.257.3171.5-168.1103.4100.600111.1G318G318-Q320 VanDerWaalsContact C-N 3.3Å; G318-Q320 PolarHBondContact O-N 2.98Å
321G57.1Low60.5Low51 Ų51124.8 Ų124.853%0.52668%0.682SS.*  trans168.5104178.800000113.1L319 V323L319-G321 PolarHBondContact O-N 3.23Å; G321-V323 PolarHBondContact O-N 3.1Å
322T54.7Low59.3Low132 Ų132126.6 Ų126.681%0.8169%0.692SS**  trans-75.9108.9164.551.70000108.6K324T322-K324 PolarHBondContact O-N 3.45Å
323V59.9Low58Low144 Ų144124.2 Ų124.287%0.87370%0.701SS**  trans-62.5103.2171.2179.70000108.1G321 A325G321-V323 PolarHBondContact O-N 3.1Å; V323-A325 PolarHBondContact O-N 3.23Å
324K53.7Low56.8Low159 Ų159129.3 Ų129.369%0.69173%0.727SS**  trans-86.999.3-175.9-172.9-162.9176.3-140.60109.2T322 E326T322-K324 PolarHBondContact O-N 3.45Å; K324-E326 IonicContact NZ-OE2 3.81Å; K324-E326 PolarHBondContact NZ-OE2 2.82Å; K324-E326 PolarHBondContact O-N 2.99Å
325A53.2Low55.5Low99 Ų99127 Ų12782%0.81874%0.741SS**  trans-71.3121.4167.400000109.6V323V323-A325 PolarHBondContact O-N 3.23Å
326E47.8Very low53.9Low140 Ų140127 Ų12765%0.65474%0.741SS**  trans-102127.3173.2-169.2153.2146.900109.5K324 V328K324-E326 IonicContact NZ-OE2 3.81Å; K324-E326 PolarHBondContact NZ-OE2 2.82Å; K324-E326 PolarHBondContact O-N 2.99Å; E326-V328 PolarHBondContact O-N 3.07Å
327L53.9Low52.8Low153 Ų153127.9 Ų127.980%0.80175%0.746SS**  trans-77.291.6178.6-178.966.7000109.3L329L327-L329 HydrophobicContact CD1-CD1 4.42Å; L327-L329 HydrophobicContact CD2-CD1 3.74Å; L327-L329 HydrophobicContact CG-CD1 3.74Å; L327-L329 PolarHBondContact O-N 2.8Å; L327-L329 VanDerWaalsContact O-N 3.1Å
328V64.9Low51.4Low112 Ų112128.3 Ų128.368%0.67975%0.749SS**  trans-73.898.4170.9-176.70000108.6E326 I330E326-V328 PolarHBondContact O-N 3.07Å; V328-I330 HydrophobicContact CG1-CG1 4.27Å; V328-I330 PolarHBondContact O-N 3.21Å
329L60.2Low51.2Low139 Ų139130.7 Ų130.773%0.72875%0.753SS**  trans-68.8111.3159.8-102.166.6000107.6L327 D331L327-L329 HydrophobicContact CD1-CD1 4.42Å; L327-L329 HydrophobicContact CD2-CD1 3.74Å; L327-L329 HydrophobicContact CG-CD1 3.74Å; L327-L329 PolarHBondContact O-N 2.8Å; L327-L329 VanDerWaalsContact O-N 3.1Å; L329-D331 PolarHBondContact O-N 2.87Å
330I58.3Low50.4Low139 Ų139131.3 Ų131.371%0.71376%0.764SS**  trans-77104.8166.6-58.4173.6000106.2V328 D332V328-I330 HydrophobicContact CG1-CG1 4.27Å; V328-I330 PolarHBondContact O-N 3.21Å; I330-D332 PolarHBondContact O-N 3.5Å
331D52.3Low49.3Very low153 Ų153126.3 Ų126.382%0.81876%0.758SS**  trans-80.1108.4168.2-158.6-115.8000106.8L329 G333L329-D331 PolarHBondContact O-N 2.87Å; D331-G333 VanDerWaalsContact C-N 3.3Å; D331-G333 PolarHBondContact O-N 3.5Å
332D47Very low48.1Very low146 Ų146129.4 Ų129.478%0.78177%0.771SS**  trans-68.988.7179.2-91.1-43.1000110I330 D334I330-D332 PolarHBondContact O-N 3.5Å; D332-D334 PolarHBondContact O-N 3.27Å; D332-D334 VanDerWaalsContact O-N 3.1Å
333G43.7Very low47.1Very low77 Ų77127.7 Ų127.779%0.79477%0.77SS**  trans-81.177.6-177.400000113.6D331D331-G333 VanDerWaalsContact C-N 3.3Å; D331-G333 PolarHBondContact O-N 3.5Å
334D42.4Very low45.8Very low154 Ų154125.3 Ų125.382%0.82477%0.766SS**  trans-117.6115.9157.699.9-97.5000110.9D332D332-D334 PolarHBondContact O-N 3.27Å; D332-D334 VanDerWaalsContact O-N 3.1Å
335G43.1Very low45.7Very low73 Ų73123.4 Ų123.475%0.75377%0.77SS**  trans169.134.9-16600000113.7V337G335-V337 PolarHBondContact O-N 3.03Å
336K36.6Very low45.3Very low185 Ų185124 Ų12480%0.80477%0.765SS**  trans-78105.5-172.7-164.2-179.5-176.2-176.50111.3D338K336-D338 WeakPolarHBondContact CE-OD2 3.42Å
337V40.8Very low44.5Very low141 Ų141123 Ų12386%0.85577%0.774SS**  trans-127.4112.7163.9-175.40000108.8G335G335-V337 PolarHBondContact O-N 3.03Å
338D37.9Very low43.4Very low121 Ų121120.5 Ų120.565%0.64778%0.775SS**  trans-76.2164.6-177.4-86.4-66000112.9K336K336-D338 WeakPolarHBondContact CE-OD2 3.42Å
339P54Low41.7Very low108 Ų108119.5 Ų119.570%0.70178%0.779SS**  trans-97.2-172.7-145.739.6-39.8000115.4
340P42Very low40.8Very low130 Ų130118 Ų11884%0.84478%0.778SS**  -141.8156.1100.937.4-23.7000117.2
341A32.6Very low39.4Very low97 Ų97116.6 Ų116.680%0.80278%0.78SS**  trans-39.4148.5176.100000119
342S31.5Very low38.3Very low115 Ų115115 Ų11580%0.80478%0.781SS**  -173.9140.9101.5-165.10000114.8
343A33.8Very low37.6Very low96 Ų96112.8 Ų112.879%0.79378%0.782SS**  trans62.9132153.300000121.9
344A32.2Very low37Very low95 Ų95113.5 Ų113.579%0.78578%0.781SS**  trans-97.8-176.9170.100000110.7
345P52Low37.2Very low118 Ų118111.8 Ų111.877%0.76678%0.778SS**  trans-98.8-175.2-140.444.9-43.9000114.3
346P45Very low37.3Very low112 Ų112113.8 Ų113.873%0.72778%0.778SS**  -154.3161.58540.4-21000118.4
347S29.4Very low37.1Very low118 Ų118110.8 Ų110.883%0.82578%0.775SS**  trans63.4145.9141-73.40000125.2
348A30.8Very low36.9Very low101 Ų101109.9 Ų109.984%0.83577%0.773SS**  trans87.9120.1148.300000120.6
349A30.4Very low36.8Very low91 Ų91111 Ų11175%0.75278%0.784SS**  trans-76.2-179.5155.800000109.9
350P41.5Very low35.8Very low109 Ų109114.9 Ų114.971%0.70879%0.79SS**  cis-145.6-176.312.345.3-26000117.6
351S29.1Very low35.2Very low109 Ų109112.4 Ų112.476%0.76278%0.78SS**  trans70120.5144-65.10000122.7
352S28.8Very low35.9Very low120 Ų120112.6 Ų112.684%0.83977%0.773SS**  105.8144.7127.4-148.70000120.6
353A31Very low35.9Very low98 Ų98115.3 Ų115.381%0.8177%0.773SS**  trans67.2118.7159.500000120.5
354A31.6Very low35.8Very low93 Ų93117 Ų11777%0.76977%0.774SS**  trans-98-167158.300000109.6
355P48.1Very low35.9Very low118 Ų118118.3 Ų118.377%0.76677%0.772SS**  cis-114.6-168.3-48.140.5-26.5000109.7
356P43.8Very low34.9Very low115 Ų115120.9 Ų120.975%0.74778%0.776SS**  -149.1-16579.540.8-19000111.6
357T33.7Very low34.2Very low121 Ų121119.9 Ų119.974%0.74278%0.777SS**  cis-156.7149.6-0.7-21.70000109
358P36.2Very low34.2Very low123 Ų123119.5 Ų119.580%0.79977%0.774SS**  trans-116.5148.6152.935.6-28.2000113.5K360P358-K360 PolarHBondContact O-N 3.46Å
359T34.8Very low34Very low144 Ų144122.7 Ų122.788%0.88378%0.777SS**  trans-80.9110.3-171-60.30000114
360K32.8Very low33.9Very low189 Ų189121.9 Ų121.982%0.82278%0.778SS**  trans33.9128.7137.9-142.3-176.4177.5179.20121.3P358P358-K360 PolarHBondContact O-N 3.46Å
361A30.8Very low33.3Very low79 Ų79126.1 Ų126.165%0.65379%0.789SS**  trans-77.4-159.2160.500000111.6
362P47Very low33.3Very low100 Ų100125.3 Ų125.365%0.64979%0.788SS**  cis-136.6143.845.825.60.3000116.1
363E31.6Very low33.4Very low172 Ų172124.1 Ų124.180%0.80479%0.786SS**  75.1129.195.4-58.7178.596.400118
364T31.4Very low33.4Very low132 Ų132125.5 Ų125.581%0.8178%0.784SS**  trans-162107.9131.54.70000112.9
365V33.7Very low33.4Very low123 Ų123130.3 Ų130.375%0.74579%0.791SS**  trans52.9125142.8-640000124.8
366M32.5Very low32.5Very low171 Ų171128.4 Ų128.484%0.84279%0.792SS**  77.9102129.4-65-70.5172.300122.6
367A29.1Very low32Very low91 Ų91134.5 Ų134.575%0.75280%0.8SS**  62.7141.4111.500000124
368S29.5Very low31.9Very low110 Ų110133 Ų13377%0.76980%0.8SS**  trans98.1108.5143.1-160.50000120.3
369N27.6Very low31.9Very low168 Ų168134.4 Ų134.490%0.89881%0.806SS**  38.4128.2122.8-134.252.9000120.6
370G28.2Very low32.2Very low75 Ų75132.3 Ų132.377%0.77380%0.803SS**  trans167.5124161.800000115.6
371E28Very low32.4Very low198 Ų198127 Ų12793%0.92580%0.802SS**  trans-83.6175.5171.5-74.6175.263.400113.2
372A29.9Very low33.2Very low91 Ų91133.2 Ų133.275%0.75282%0.815SS**  trans76.793.5152.800000120.1
373A29.9Very low33.4Very low96 Ų96138.1 Ų138.179%0.79383%0.826SS**  64.3147.4110.100000123.2
374V30.7Very low34.7Very low126 Ų126139.9 Ų139.976%0.76483%0.831SS**  trans90.5111.8156.1176.40000119.9
375E31.8Very low36.1Very low195 Ų195142.2 Ų142.291%0.91183%0.832SS**  trans56.6137.1147.8-70-172.3115.600124.1
376G30.4Very low37.5Very low77 Ų77141.9 Ų141.979%0.79483%0.833SS**  trans169.456.7161.300000121.4
377R31.6Very low38.9Very low244 Ų244138.9 Ų138.992%0.92183%0.828SS**  trans71.192.2146.9-160.9176.9-172.9-165.21.3122
378A31.8Very low40.1Very low90 Ų90145.2 Ų145.274%0.74484%0.838SS**  49.9123.9121.300000124
379V37.8Very low41.7Very low152 Ų152144.9 Ų144.992%0.92184%0.835SS**  -137.4146.5128.8169.10000108.7
380A40.5Very low43.2Very low100 Ų100142.7 Ų142.783%0.82683%0.831SS**  trans-90.6148.2-16800000115.3
381G36.7Very low44.4Very low78 Ų78144.4 Ų144.480%0.80483%0.831SS**  trans-158.191.7171.900000112.9K383G381-K383 PolarHBondContact O-N 3.46Å
382K48.3Very low45.3Very low209 Ų209142.8 Ų142.891%0.90983%0.827SS**  trans-70.3113.3-176.7-63.7167.1175.5173.80112.8
383K49.4Very low45.9Very low203 Ų203150.5 Ų150.588%0.88385%0.851SS**  trans-150.2105.5149.4-69-164.3-177.4172.40113.7G381G381-K383 PolarHBondContact O-N 3.46Å
384K60.2Low46.7Very low209 Ų209153.2 Ų153.291%0.90985%0.853SS**  trans43.2127.7145.9-56.5-174.8178.9-175.20121
385Q59.5Low47.6Very low180 Ų180154.6 Ų154.684%0.84186%0.858SS**PPolyproline II helixtrans-68.5144.6171.3-69-87-2500112.6
386P63.1Low48.5Very low117 Ų117152.4 Ų152.476%0.7686%0.855SS**PPolyproline II helixtrans-79.6144.4171.432.3-33.3000112.6
387C62Low49.5Very low108 Ų108156.8 Ų156.873%0.7386%0.859SS**PPolyproline II helixtrans-76.4150.1-177.3-55.70000112.5C389C387-C389 PolarHBondContact O-N 3.24Å
388K54.5Low50.6Low224 Ų224151.4 Ų151.497%0.97486%0.855SS**SBendtrans-100.333.9-169.7-145.7165.5-171.6173.70113.7
389C64.4Low51.9Low103 Ų103155.5 Ų155.570%0.69686%0.862SS**  trans-127.816.4-165.3570000115C387C387-C389 PolarHBondContact O-N 3.24Å
390C58.7Low52.9Low121 Ų121155.7 Ų155.782%0.81886%0.858SS**  trans-123.757.9-179.5-60.70000112.3
391S52.1Low53.9Low112 Ų112160 Ų16078%0.78386%0.861SS**  trans-126.8140.2161.7-73.70000109.1
392I48.5Very low55.3Low164 Ų164166.8 Ų166.884%0.84187%0.865SS**  trans87.982.3178.3-48.4162.9000113.4
393M42.9Very low55.9Low252 Ų252163 Ų163100%1.24186%0.861SS**  -72.10120.2-67-176-6300108

Retrieved 393 of 393 residues in 405.1 ms (Link to these results)

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