A0A096LXX1_POEFO Loading...

Dehydrogenase/reductase (SDR family) member 9

AlphaFold DB , UniProt , Accession A0A096LXX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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
1M71.8Confident89.4Confident171 Ų171112 Ų11284%0.84259%0.589SS**  0-55.20-157.4166.675.700112.5L3 Y4 I5M1-L3 PolarHBondContact O-N 3.24Å; M1-Y4 PolarHBondContact O-N 3.39Å; M1-I5 PolarHBondContact O-N 2.92Å
2F80.3Confident89.7Confident161 Ų161113.3 Ų113.371%0.70658%0.581SS**Hα-helixtrans-59.5-39.2179.1-80.5-84.6000115.4Y4 I5 L6F2-Y4 VanDerWaalsContact C-N 3.3Å; F2-Y4 PolarHBondContact O-N 3.2Å; F2-I5 PolarHBondContact O-N 3.37Å; F2-L6 WeakPolarHBondContact O-CG 3.34Å; F2-L6 PolarHBondContact O-N 3.33Å
3L86.5Confident90Very high145 Ų145114.9 Ų114.976%0.75958%0.576SS**Hα-helixtrans-62.8-34.9177.9-68.2172.1000112.9M1 G7M1-L3 PolarHBondContact O-N 3.24Å; L3-G7 PolarHBondContact O-N 3.26Å
4Y89.4Confident90.3Very high182 Ų182113.4 Ų113.471%0.71458%0.576SS**Hα-helixtrans-69-39.6175.2-63.7-75.4000111.7M1 F2 G7 L8M1-Y4 PolarHBondContact O-N 3.39Å; F2-Y4 VanDerWaalsContact C-N 3.3Å; F2-Y4 PolarHBondContact O-N 3.2Å; Y4-G7 PolarHBondContact O-N 2.92Å; Y4-L8 WeakPolarHBondContact O-CG 3.36Å; Y4-L8 PolarHBondContact O-N 3.35Å
5I91.8Very high90.6Very high89 Ų89115 Ų11546%0.45657%0.573SS.*Hα-helixtrans-63.5-46.5175.3-63172.2000110.1M1 F2 G7 L8 V9M1-I5 PolarHBondContact O-N 2.92Å; F2-I5 PolarHBondContact O-N 3.37Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.27Å; I5-L8 PolarHBondContact O-N 3.47Å; I5-V9 HydrophobicContact CG2-CG2 4.43Å; I5-V9 WeakPolarHBondContact O-CB 3.39Å; I5-V9 VanDerWaalsContact O-CG2 3.27Å; I5-V9 WeakPolarHBondContact O-CG2 3.31Å; I5-V9 PolarHBondContact O-N 2.91Å
6L91.7Very high90.7Very high110 Ų110111.9 Ų111.958%0.57655%0.553SS**Hα-helixtrans-60.3-42176-71.9171.3000111.8F2 V9 A10F2-L6 WeakPolarHBondContact O-CG 3.34Å; F2-L6 PolarHBondContact O-N 3.33Å; L6-V9 PolarHBondContact O-N 3.43Å; L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 2.9Å
7G93.1Very high90.9Very high34 Ų34115.8 Ų115.835%0.35156%0.56SS.*Hα-helixtrans-60.1-47.5174.200000112.6L3 Y4 I5 V9 A10 V11L3-G7 PolarHBondContact O-N 3.26Å; Y4-G7 PolarHBondContact O-N 2.92Å; I5-G7 VanDerWaalsContact C-N 3.32Å; I5-G7 PolarHBondContact O-N 3.27Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.45Å; G7-A10 PolarHBondContact O-N 3.47Å; G7-V11 WeakPolarHBondContact O-CG2 3.34Å; G7-V11 PolarHBondContact O-N 2.88Å
8L94.6Very high91.1Very high125 Ų125116.7 Ų116.765%0.65456%0.558SS**Hα-helixtrans-62.3-40.3176.9-72.9173000112.3Y4 I5 V11 W12Y4-L8 WeakPolarHBondContact O-CG 3.36Å; Y4-L8 PolarHBondContact O-N 3.35Å; I5-L8 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 2.85Å; L8-W12 VanDerWaalsContact O-CB 3.31Å; L8-W12 WeakPolarHBondContact O-CB 3.13Å; L8-W12 PolarHBondContact O-N 3.42Å
9V93.8Very high91.2Very high63 Ų63114.9 Ų114.938%0.38255%0.547SS..Hα-helixtrans-62.6-45.9175.4169.90000110.6I5 L6 G7 W12 Y13I5-V9 HydrophobicContact CG2-CG2 4.43Å; I5-V9 WeakPolarHBondContact O-CB 3.39Å; I5-V9 VanDerWaalsContact O-CG2 3.27Å; I5-V9 WeakPolarHBondContact O-CG2 3.31Å; I5-V9 PolarHBondContact O-N 2.91Å; L6-V9 PolarHBondContact O-N 3.43Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.45Å; V9-W12 PolarHBondContact O-N 3.47Å; V9-Y13 HydrophobicContact CG1-CD2 3.66Å; V9-Y13 HydrophobicContact CG1-CE2 3.42Å; V9-Y13 VanDerWaalsContact CG1-CE2 3.42Å; V9-Y13 WeakPolarHBondContact O-CD2 3.27Å; V9-Y13 PolarHBondContact O-N 3.39Å
10A94.1Very high91.3Very high55 Ų55110.1 Ų110.146%0.45552%0.524SS..Hα-helixtrans-61.5-47.5177.200000111.9L6 G7 W12 Y13 V14L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 2.9Å; G7-A10 PolarHBondContact O-N 3.47Å; A10-W12 VanDerWaalsContact C-N 3.3Å; A10-W12 PolarHBondContact O-N 2.93Å; A10-Y13 PolarHBondContact O-N 2.95Å; A10-Y13 VanDerWaalsContact O-N 3.17Å; A10-V14 WeakPolarHBondContact O-CG2 3.5Å; A10-V14 PolarHBondContact O-N 3.32Å
11V95.8Very high91.4Very high97 Ų97107.3 Ų107.359%0.58852%0.517SS*.Hα-helixtrans-58.9-42.6175.9170.90000111G7 L8 Y13 V14 Y15G7-V11 WeakPolarHBondContact O-CG2 3.34Å; G7-V11 PolarHBondContact O-N 2.88Å; L8-V11 PolarHBondContact O-N 2.85Å; V11-Y13 PolarHBondContact O-N 3.29Å; V11-V14 PolarHBondContact O-N 2.96Å; V11-Y15 WeakPolarHBondContact O-CB 3.47Å; V11-Y15 PolarHBondContact O-N 2.97Å
12W94.1Very high92.5Very high128 Ų128103.7 Ų103.749%0.48550%0.496SS..Hα-helixtrans-61.9-42.8176.2177.385.2000112.3L8 V9 A10 Y15 R16L8-W12 VanDerWaalsContact O-CB 3.31Å; L8-W12 WeakPolarHBondContact O-CB 3.13Å; L8-W12 PolarHBondContact O-N 3.42Å; V9-W12 PolarHBondContact O-N 3.47Å; A10-W12 VanDerWaalsContact C-N 3.3Å; A10-W12 PolarHBondContact O-N 2.93Å; W12-Y15 PolarHBondContact O-N 3.37Å; W12-R16 WeakPolarHBondContact O-CB 3.45Å; W12-R16 PolarHBondContact O-N 2.91Å
13Y93.1Very high93.3Very high134 Ų134100.5 Ų100.553%0.52548%0.479SS..Hα-helixtrans-63.9-40.8175.7-83-68000112.5V9 A10 V11 R16 W17V9-Y13 HydrophobicContact CG1-CD2 3.66Å; V9-Y13 HydrophobicContact CG1-CE2 3.42Å; V9-Y13 VanDerWaalsContact CG1-CE2 3.42Å; V9-Y13 WeakPolarHBondContact O-CD2 3.27Å; V9-Y13 PolarHBondContact O-N 3.39Å; A10-Y13 PolarHBondContact O-N 2.95Å; A10-Y13 VanDerWaalsContact O-N 3.17Å; V11-Y13 PolarHBondContact O-N 3.29Å; Y13-R16 PolarHBondContact O-N 2.86Å; Y13-W17 VanDerWaalsContact O-CB 3.3Å; Y13-W17 WeakPolarHBondContact O-CB 3.35Å; Y13-W17 PolarHBondContact O-N 3.18Å
14V94.5Very high93.8Very high94 Ų9494.2 Ų94.257%0.5745%0.447SS*.Hα-helixtrans-65.3-48176.4172.90000110.9A10 V11 R16 W17 Y18A10-V14 WeakPolarHBondContact O-CG2 3.5Å; A10-V14 PolarHBondContact O-N 3.32Å; V11-V14 PolarHBondContact O-N 2.96Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 2.91Å; V14-W17 PolarHBondContact O-N 2.77Å; V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 PolarHBondContact O-N 3.49Å
15Y93.9Very high94Very high137 Ų13790 Ų9054%0.53744%0.442SS..Hα-helixtrans-57.7-46.2175.9170.8-100.9000111.5V11 W12 Y18 K19V11-Y15 WeakPolarHBondContact O-CB 3.47Å; V11-Y15 PolarHBondContact O-N 2.97Å; W12-Y15 PolarHBondContact O-N 3.37Å; Y15-Y18 PolarHBondContact O-N 3.17Å; Y15-K19 HydrophobicContact CE1-CD 4.35Å; Y15-K19 WeakPolarHBondContact O-CB 3.49Å; Y15-K19 PolarHBondContact O-N 3.39Å
16R93.4Very high94Very high66 Ų6691.4 Ų91.425%0.24945%0.45CS..Hα-helixtrans-61-48.1177.3-179.6-179.5173.6-1802.2111.2W12 Y13 V14 Y18 K19 E20 R277W12-R16 WeakPolarHBondContact O-CB 3.45Å; W12-R16 PolarHBondContact O-N 2.91Å; Y13-R16 PolarHBondContact O-N 2.86Å; V14-R16 VanDerWaalsContact C-N 3.31Å; V14-R16 PolarHBondContact O-N 2.91Å; R16-Y18 PolarHBondContact O-N 3.15Å; R16-K19 PolarHBondContact O-N 2.9Å; R16-E20 HydrophobicContact CG-CG 4.23Å; R16-E20 VanDerWaalsContact CG-OE1 3.31Å; R16-E20 WeakPolarHBondContact CG-OE1 3.14Å; R16-E20 IonicContact CZ-OE1 3.58Å; R16-E20 IonicContact NE-OE1 2.77Å; R16-E20 PolarHBondContact NE-OE1 3.39Å; R16-E20 IonicContact NE-OE2 3.85Å; R16-E20 IonicContact NH2-OE1 3.51Å; R16-E20 VanDerWaalsContact O-CB 3.27Å; R16-E20 WeakPolarHBondContact O-CB 3.25Å; R16-E20 VanDerWaalsContact O-CG 3.25Å; R16-E20 WeakPolarHBondContact O-CG 3.27Å; R16-E20 PolarHBondContact O-N 2.97Å; R16-R277 VanDerWaalsContact NH2-CD 3.26Å
17W92.9Very high94.1Very high178 Ų17888.3 Ų88.367%0.67443%0.433SS*.Hα-helixtrans-58.3-46.1177.2172.780000111.9Y13 V14 K19 E20 S21Y13-W17 VanDerWaalsContact O-CB 3.3Å; Y13-W17 WeakPolarHBondContact O-CB 3.35Å; Y13-W17 PolarHBondContact O-N 3.18Å; V14-W17 PolarHBondContact O-N 2.77Å; W17-K19 VanDerWaalsContact C-N 3.34Å; W17-K19 PolarHBondContact O-N 2.85Å; W17-E20 PolarHBondContact O-N 3.46Å; W17-S21 WeakPolarHBondContact O-CB 3.42Å; W17-S21 PolarHBondContact O-N 2.91Å
18Y94.6Very high94.1Very high132 Ų13288.3 Ų88.352%0.51843%0.433SS..Hα-helixtrans-60.9-40.9176.5173.1-97.8000112.5V14 Y15 R16 S21V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 PolarHBondContact O-N 3.49Å; Y15-Y18 PolarHBondContact O-N 3.17Å; R16-Y18 PolarHBondContact O-N 3.15Å; Y18-S21 PolarHBondContact O-OG 3.27Å
19K93.6Very high94.1Very high82 Ų8286.1 Ų86.136%0.35742%0.422SS..Hα-helixtrans-70-40.3179.1-173.1175.7178.8177.30112.2Y15 R16 W17 H275Y15-K19 HydrophobicContact CE1-CD 4.35Å; Y15-K19 WeakPolarHBondContact O-CB 3.49Å; Y15-K19 PolarHBondContact O-N 3.39Å; R16-K19 PolarHBondContact O-N 2.9Å; W17-K19 VanDerWaalsContact C-N 3.34Å; W17-K19 PolarHBondContact O-N 2.85Å; K19-H275 HydrophobicContact CD-CB 4.38Å; K19-H275 WeakPolarHBondContact CE-CD2 3.31Å; K19-H275 HydrophobicContact CG-CB 3.8Å; K19-H275 WeakPolarHBondContact CG-ND1 3.41Å; K19-H275 PolarHBondContact O-ND1 3.09Å
20E93.4Very high94.3Very high19 Ų1985.1 Ų85.19%0.08941%0.412CS..Hα-helixtrans-74.7-25.3-178.7-74.1-178.717800112.9R16 W17 K22 R23 H269 S273 R277R16-E20 HydrophobicContact CG-CG 4.23Å; R16-E20 VanDerWaalsContact CG-OE1 3.31Å; R16-E20 WeakPolarHBondContact CG-OE1 3.14Å; R16-E20 IonicContact CZ-OE1 3.58Å; R16-E20 IonicContact NE-OE1 2.77Å; R16-E20 PolarHBondContact NE-OE1 3.39Å; R16-E20 IonicContact NE-OE2 3.85Å; R16-E20 IonicContact NH2-OE1 3.51Å; R16-E20 VanDerWaalsContact O-CB 3.27Å; R16-E20 WeakPolarHBondContact O-CB 3.25Å; R16-E20 VanDerWaalsContact O-CG 3.25Å; R16-E20 WeakPolarHBondContact O-CG 3.27Å; R16-E20 PolarHBondContact O-N 2.97Å; W17-E20 PolarHBondContact O-N 3.46Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.43Å; E20-R23 PolarHBondContact O-NH1 3.35Å; E20-H269 PolarHBondContact O-NE2 2.95Å; E20-H269 VanDerWaalsContact O-NE2 3.15Å; E20-S273 PolarHBondContact O-OG 3.05Å; E20-R277 VanDerWaalsContact CD-NE 3.28Å; E20-R277 WeakPolarHBondContact OE1-CG 3.33Å; E20-R277 IonicContact OE1-CZ 3.92Å; E20-R277 IonicContact OE1-NE 3.02Å; E20-R277 PolarHBondContact OE1-NE 3.32Å; E20-R277 IonicContact OE1-NH2 3.95Å; E20-R277 IonicContact OE2-CZ 3.2Å; E20-R277 IonicContact OE2-NE 2.86Å; E20-R277 PolarHBondContact OE2-NE 2.88Å; E20-R277 IonicContact OE2-NH2 2.71Å; E20-R277 PolarHBondContact OE2-NH2 2.89Å
21S93.3Very high94.5Very high52 Ų5284.5 Ų84.536%0.36440%0.398SS..Hα-helixtrans-68.6-28.9-179.370.30000113.5W17 Y18 R23W17-S21 WeakPolarHBondContact O-CB 3.42Å; W17-S21 PolarHBondContact O-N 2.91Å; Y18-S21 PolarHBondContact O-OG 3.27Å; S21-R23 PolarHBondContact O-N 3.23Å; S21-R23 PolarHBondContact O-NH1 3.42Å
22K95.5Very high94.6Very high94 Ų9479.9 Ų79.941%0.40937%0.37SS..PPolyproline II helixtrans-57.4125.6179.4-63.9-170.8-179.6-1730110.8E20 S273 V274E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.43Å; K22-S273 CarbonylContact O-C 3.46Å; K22-S273 WeakPolarHBondContact O-CA 3.49Å; K22-V274 HydrophobicContact CB-CB 4.09Å; K22-V274 HydrophobicContact CB-CG2 3.99Å; K22-V274 PolarHBondContact O-N 3.31Å
23R96.4Very high94.9Very high95 Ų9573.9 Ų73.936%0.35835%0.348SS..BIsolated β-bridgetrans-102.9150.6177.9-65.9-59.2-167.9-1049.9111.4E20 S21 E268 A272E20-R23 PolarHBondContact O-NH1 3.35Å; S21-R23 PolarHBondContact O-N 3.23Å; S21-R23 PolarHBondContact O-NH1 3.42Å; R23-E268 IonicContact CZ-OE1 3.43Å; R23-E268 IonicContact CZ-OE2 3.92Å; R23-E268 IonicContact NE-OE1 2.88Å; R23-E268 PolarHBondContact NE-OE1 2.92Å; R23-E268 IonicContact NH2-OE1 2.73Å; R23-E268 PolarHBondContact NH2-OE1 2.92Å; R23-E268 IonicContact NH2-OE2 2.78Å; R23-E268 PolarHBondContact NH2-OE2 3.37Å; R23-A272 CarbonylContact C-O 3.52Å; R23-A272 WeakPolarHBondContact CA-O 3.38Å
24V96.3Very high95.1Very high13 Ų1367.5 Ų67.58%0.07932%0.323CS..PPolyproline II helixtrans-68.7140.3176.7-64.80000110.7K30 W107 A272 V274V24-K30 HydrophobicContact CG2-CD 3.77Å; V24-W107 HydrophobicContact CB-CZ2 4.26Å; V24-W107 HydrophobicContact CG1-CH2 4.01Å; V24-W107 HydrophobicContact CG1-CZ2 3.74Å; V24-W107 HydrophobicContact CG2-CZ2 3.98Å; V24-A272 PolarHBondContact N-O 2.97Å; V24-V274 HydrophobicContact CG1-CG2 4.1Å
25P94.1Very high95.3Very high92 Ų9263.1 Ų63.160%0.59730%0.296SS*.SBendtrans-73.4169.9175.732.5-36.1000111.2Q27 K30P25-Q27 PolarHBondContact O-N 2.82Å; P25-K30 WeakPolarHBondContact O-CE 3.38Å
26N92.5Very high95.5Very high119 Ų11957.5 Ų57.564%0.63628%0.28SS*.  trans51.253.5171.6-55.4-16.9000113.6G28 D29N26-G28 PolarHBondContact O-N 3.33Å; N26-D29 PolarHBondContact O-N 3.41Å; N26-D29 VanDerWaalsContact O-N 3.11Å
27Q92.6Very high95.8Very high45 Ų4554.4 Ų54.421%0.2127%0.268CS..G310 helixtrans-59.2-32.7179.9-64.3177.2-600112P25 D29 K30 L52 G53 F54P25-Q27 PolarHBondContact O-N 2.82Å; Q27-D29 PolarHBondContact O-N 3.34Å; Q27-D29 VanDerWaalsContact O-N 3.12Å; Q27-K30 WeakPolarHBondContact O-CB 3.35Å; Q27-K30 PolarHBondContact O-N 3.39Å; Q27-L52 PolarHBondContact OE1-O 3.49Å; Q27-G53 CarbonylContact C-O 3.53Å; Q27-F54 HydrophobicContact CB-CD1 4.27Å; Q27-F54 HydrophobicContact CB-CD2 4.15Å; Q27-F54 HydrophobicContact CB-CE1 4.1Å; Q27-F54 HydrophobicContact CB-CE2 3.97Å; Q27-F54 HydrophobicContact CB-CG 4.3Å; Q27-F54 HydrophobicContact CB-CZ 3.95Å; Q27-F54 HydrophobicContact CG-CD2 4.49Å; Q27-F54 HydrophobicContact CG-CE1 4.08Å; Q27-F54 HydrophobicContact CG-CE2 3.81Å; Q27-F54 HydrophobicContact CG-CZ 3.58Å; Q27-F54 WeakPolarHBondContact O-CA 3.3Å
28G92.9Very high95.9Very high34 Ų3447.8 Ų47.835%0.35125%0.246SC..G310 helixtrans-59.7-16.4174.400000116.3N26 G53 C55N26-G28 PolarHBondContact O-N 3.33Å; G28-G53 WeakPolarHBondContact CA-O 3.37Å; G28-G53 PolarHBondContact N-O 3.01Å; G28-C55 PolarHBondContact O-SG 3.46Å
29D94.6Very high95.9Very high80 Ų8044.2 Ų44.243%0.42824%0.24SC..G310 helixtrans-101.71.2176.6-71.5-52.9000113.2N26 Q27 K104N26-D29 PolarHBondContact O-N 3.41Å; N26-D29 VanDerWaalsContact O-N 3.11Å; Q27-D29 PolarHBondContact O-N 3.34Å; Q27-D29 VanDerWaalsContact O-N 3.12Å; D29-K104 IonicContact OD1-NZ 2.72Å; D29-K104 PolarHBondContact OD1-NZ 3.41Å
30K98.1Very high96Very high41 Ų4141.1 Ų41.118%0.17823%0.232CC..  trans-104.4109.1-171.5-69.6-179.1-175.6-56.20110.9V24 P25 Q27 F54 C55 W107V24-K30 HydrophobicContact CG2-CD 3.77Å; P25-K30 WeakPolarHBondContact O-CE 3.38Å; Q27-K30 WeakPolarHBondContact O-CB 3.35Å; Q27-K30 PolarHBondContact O-N 3.39Å; K30-F54 HydrophobicContact CB-CD1 3.75Å; K30-F54 HydrophobicContact CB-CE1 3.93Å; K30-F54 HydrophobicContact CD-CE1 4.13Å; K30-C55 PolarHBondContact O-N 3.11Å; K30-C55 VanDerWaalsContact O-N 3.16Å; K30-W107 HydrophobicContact CB-CB 3.76Å; K30-W107 HydrophobicContact CB-CD2 4.44Å; K30-W107 HydrophobicContact CB-CG 3.71Å; K30-W107 HydrophobicContact CD-CD2 3.79Å; K30-W107 HydrophobicContact CD-CE3 4.37Å; K30-W107 HydrophobicContact CD-CG 3.93Å; K30-W107 HydrophobicContact CD-CZ2 4.16Å; K30-W107 HydrophobicContact CG-CB 4.15Å; K30-W107 HydrophobicContact CG-CD2 4.11Å; K30-W107 HydrophobicContact CG-CG 3.88Å
31Y98.7Very high96.2Very high42 Ų4241.3 Ų41.317%0.16523%0.233CC..EExtended strand (participates in β ladder)trans-80.4125.1176.7-67.2-95.6000111.7C55 I57 L100 V101 K104 L106 W107 A108Y31-C55 CarbonylContact C-O 3.59Å; Y31-C55 VanDerWaalsContact CA-O 3.25Å; Y31-C55 WeakPolarHBondContact CA-O 3.22Å; Y31-C55 HydrophobicContact CD1-CB 3.52Å; Y31-C55 HydrophobicContact CD2-CB 4.45Å; Y31-C55 HydrophobicContact CE1-CB 3.69Å; Y31-C55 HydrophobicContact CG-CB 3.94Å; Y31-I57 HydrophobicContact CD1-CD1 4.22Å; Y31-L100 HydrophobicContact CD1-CD2 4.45Å; Y31-L100 HydrophobicContact CD1-CG 4.44Å; Y31-L100 HydrophobicContact CE1-CD2 4.32Å; Y31-L100 HydrophobicContact CE1-CG 3.99Å; Y31-V101 HydrophobicContact CD1-CG1 3.91Å; Y31-V101 HydrophobicContact CD2-CB 4.28Å; Y31-V101 HydrophobicContact CD2-CG1 4.01Å; Y31-V101 HydrophobicContact CG-CB 4.35Å; Y31-V101 HydrophobicContact CG-CG1 3.59Å; Y31-K104 HydrophobicContact CE2-CD 4.03Å; Y31-L106 WeakPolarHBondContact O-CD1 3.42Å; Y31-W107 WeakPolarHBondContact O-CA 3.46Å; Y31-W107 VanDerWaalsContact O-CB 3.29Å; Y31-W107 WeakPolarHBondContact O-CB 3.18Å; Y31-W107 PolarHBondContact O-N 2.78Å; Y31-A108 PolarHBondContact O-N 3.01Å
32V98.9Very high96.4Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans-119.5115.1179.5-177.70000109.3I34 L49 F54 C55 V56 I57 A108 V110 I271V32-I34 HydrophobicContact CG1-CD1 4.44Å; V32-I34 HydrophobicContact CG1-CG1 3.96Å; V32-L49 HydrophobicContact CB-CD1 4.27Å; V32-L49 HydrophobicContact CG1-CD1 3.77Å; V32-L49 HydrophobicContact CG2-CD1 4.4Å; V32-F54 HydrophobicContact CG2-CB 4.37Å; V32-F54 HydrophobicContact CG2-CD1 3.82Å; V32-F54 HydrophobicContact CG2-CG 4.33Å; V32-C55 PolarHBondContact N-O 3.01Å; V32-V56 WeakPolarHBondContact O-CA 3.1Å; V32-I57 PolarHBondContact O-N 3.41Å; V32-A108 WeakPolarHBondContact CA-O 3.44Å; V32-A108 HydrophobicContact CG1-CB 4.2Å; V32-A108 HydrophobicContact CG2-CB 4.35Å; V32-V110 HydrophobicContact CG1-CG2 4.14Å; V32-I271 HydrophobicContact CG1-CD1 4.13Å; V32-I271 HydrophobicContact CG2-CG2 3.86Å
33Y98.9Very high96.5Very high2 Ų235.3 Ų35.31%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-92.9125.6174.7173.4-148.4000110.3T35 I57 L82 V93 I97 L106 A108 V109 V110 V144 V148Y33-T35 HydrophobicContact CE1-CG2 4.31Å; Y33-T35 HydrophobicContact CE2-CG2 4.04Å; Y33-I57 CarbonylContact C-O 3.58Å; Y33-I57 WeakPolarHBondContact CA-O 3.45Å; Y33-I57 HydrophobicContact CD2-CB 4.35Å; Y33-I57 HydrophobicContact CD2-CG2 4.12Å; Y33-I57 WeakPolarHBondContact CD2-O 3.32Å; Y33-L82 HydrophobicContact CE2-CD2 4.1Å; Y33-L82 WeakPolarHBondContact OH-CD1 3.11Å; Y33-L82 WeakPolarHBondContact OH-CD2 3.44Å; Y33-V93 HydrophobicContact CE1-CG1 4.49Å; Y33-V93 HydrophobicContact CE2-CG1 4.11Å; Y33-I97 HydrophobicContact CD1-CD1 3.44Å; Y33-I97 VanDerWaalsContact CD1-CD1 3.44Å; Y33-I97 HydrophobicContact CD2-CD1 3.94Å; Y33-I97 HydrophobicContact CE1-CD1 3.66Å; Y33-I97 HydrophobicContact CE2-CD1 4.19Å; Y33-I97 HydrophobicContact CG-CD1 3.6Å; Y33-L106 HydrophobicContact CD1-CD2 4.48Å; Y33-A108 PolarHBondContact N-O 2.83Å; Y33-V109 HydrophobicContact CD1-CB 4.47Å; Y33-V109 HydrophobicContact CD1-CG2 3.63Å; Y33-V109 HydrophobicContact CE1-CG2 4.21Å; Y33-V109 HydrophobicContact CG-CG2 4.29Å; Y33-V109 CarbonylContact O-C 3.55Å; Y33-V109 VanDerWaalsContact O-CA 3.31Å; Y33-V109 WeakPolarHBondContact O-CA 3.35Å; Y33-V110 PolarHBondContact O-N 2.84Å; Y33-V144 HydrophobicContact CD1-CG1 4.44Å; Y33-V144 HydrophobicContact CE1-CG1 3.69Å; Y33-V148 HydrophobicContact CD1-CG1 4.33Å; Y33-V148 HydrophobicContact CE1-CG1 4.41Å
34I98.9Very high96.5Very high0 Ų032.8 Ų32.80%020%0.198CC..EExtended strand (participates in β ladder)trans-123.7131-179-49.8168.3000108.7V32 C37 L45 A46 L49 V56 I57 G59 V110V32-I34 HydrophobicContact CG1-CD1 4.44Å; V32-I34 HydrophobicContact CG1-CG1 3.96Å; I34-C37 VanDerWaalsContact CB-SG 3.59Å; I34-C37 WeakPolarHBondContact CG2-SG 3.49Å; I34-C37 PolarHBondContact O-SG 3.3Å; I34-L45 HydrophobicContact CD1-CB 4.39Å; I34-L45 HydrophobicContact CD1-CD2 3.93Å; I34-L45 HydrophobicContact CD1-CG 3.94Å; I34-L45 HydrophobicContact CG1-CD2 4.31Å; I34-L45 HydrophobicContact CG2-CD2 4.41Å; I34-A46 HydrophobicContact CD1-CB 3.94Å; I34-L49 HydrophobicContact CD1-CD1 4.12Å; I34-V56 HydrophobicContact CD1-CG1 3.85Å; I34-I57 PolarHBondContact N-O 3.07Å; I34-G59 PolarHBondContact O-N 2.89Å; I34-V110 HydrophobicContact CB-CB 4.38Å; I34-V110 HydrophobicContact CG1-CB 4.21Å; I34-V110 HydrophobicContact CG1-CG2 4.17Å; I34-V110 HydrophobicContact CG2-CB 4.16Å; I34-V110 HydrophobicContact CG2-CG1 4.4Å
35T98.8Very high96.6Very high3 Ų332.2 Ų32.22%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-97.2149.5173.768.60000111.8Y33 L82 V84 V110 N112 A113 V144Y33-T35 HydrophobicContact CE1-CG2 4.31Å; Y33-T35 HydrophobicContact CE2-CG2 4.04Å; T35-L82 HydrophobicContact CG2-CD2 3.57Å; T35-V84 HydrophobicContact CG2-CG1 4.31Å; T35-V110 PolarHBondContact N-O 3.43Å; T35-V110 PolarHBondContact OG1-O 2.83Å; T35-N112 VanDerWaalsContact O-CB 3.27Å; T35-N112 WeakPolarHBondContact O-CB 3.36Å; T35-N112 PolarHBondContact O-ND2 2.64Å; T35-N112 PolarHBondContact OG1-N 2.82Å; T35-A113 PolarHBondContact O-N 2.95Å; T35-A113 WeakPolarHBondContact OG1-CB 3.35Å; T35-A113 PolarHBondContact OG1-N 3.04Å; T35-V144 HydrophobicContact CG2-CG1 3.96Å; T35-V144 HydrophobicContact CG2-CG2 4.27Å
36G97.9Very high96.9Very high19 Ų1927.8 Ų27.820%0.19617%0.166CC..  trans72.549.3177.800000113.1G59 N112G36-G59 PolarHBondContact N-O 3.41Å; G36-N112 PolarHBondContact O-ND2 3.18Å
37C98.1Very high97.1Very high0 Ų025.7 Ų25.70%015%0.151CC..  trans-89.94.4-175.8-71.80000114.8I34 S39 N43 A58 G59 C60 L69I34-C37 VanDerWaalsContact CB-SG 3.59Å; I34-C37 WeakPolarHBondContact CG2-SG 3.49Å; I34-C37 PolarHBondContact O-SG 3.3Å; C37-S39 VanDerWaalsContact C-N 3.31Å; C37-S39 PolarHBondContact O-N 3.33Å; C37-N43 VanDerWaalsContact O-CB 3.26Å; C37-N43 WeakPolarHBondContact O-CB 3.08Å; C37-N43 PolarHBondContact O-ND2 2.89Å; C37-A58 HydrophobicContact CB-CB 3.91Å; C37-G59 WeakPolarHBondContact CB-O 3.3Å; C37-G59 PolarHBondContact N-O 3.01Å; C37-C60 VanDerWaalsContact CB-SG 3.57Å; C37-L69 HydrophobicContact CB-CD2 3.92Å
38D96.8Very high97.4Very high40 Ų4026 Ų2621%0.21415%0.152CC..SBendtrans-59.8-39.9178.8-57.6-102.7000112.6C60 Y61 T62D38-C60 WeakPolarHBondContact OD2-CA 3.39Å; D38-Y61 PolarHBondContact OD1-N 2.89Å; D38-Y61 PolarHBondContact OD2-N 3.27Å; D38-T62 WeakPolarHBondContact OD1-CA 3.29Å; D38-T62 WeakPolarHBondContact OD1-CB 3.44Å; D38-T62 PolarHBondContact OD1-N 3.15Å; D38-T62 PolarHBondContact OD1-OG1 3.35Å
39S94.5Very high97.7Very high56 Ų5624.3 Ų24.339%0.39214%0.135SC..SBendtrans-157.1-174.2-177.667.80000112.2C37 N43C37-S39 VanDerWaalsContact C-N 3.31Å; C37-S39 PolarHBondContact O-N 3.33Å; S39-N43 WeakPolarHBondContact O-CB 3.35Å; S39-N43 PolarHBondContact O-N 2.79Å
40G94.9Very high97.8Very high18 Ų1821.2 Ų21.219%0.18612%0.119CC..Hα-helixtrans60-135.9168.900000114.6S44G40-S44 WeakPolarHBondContact O-CB 3.37Å; G40-S44 PolarHBondContact O-N 2.71Å; G40-S44 VanDerWaalsContact O-N 3.13Å; G40-S44 PolarHBondContact O-OG 2.77Å
41F96.8Very high97.8Very high23 Ų2327.8 Ų27.810%0.10115%0.147CC..Hα-helixtrans-65.8-47.6-174.9-60.8-40.9000113.1S44 L45 N112 P204 F207 T209 L260 V263 M267F41-S44 PolarHBondContact O-N 2.67Å; F41-L45 VanDerWaalsContact O-CB 3.29Å; F41-L45 WeakPolarHBondContact O-CB 3.45Å; F41-L45 PolarHBondContact O-N 2.86Å; F41-N112 WeakPolarHBondContact CB-OD1 3.41Å; F41-P204 HydrophobicContact CE2-CB 4.46Å; F41-P204 HydrophobicContact CE2-CG 4.32Å; F41-F207 HydrophobicContact CE1-CB 3.91Å; F41-F207 HydrophobicContact CE1-CD1 4.42Å; F41-F207 HydrophobicContact CE1-CG 4.06Å; F41-F207 HydrophobicContact CZ-CB 3.51Å; F41-F207 AromaticContact CZ-CD2 4Å; F41-F207 HydrophobicContact CZ-CD2 4Å; F41-F207 AromaticContact CZ-CG 3.78Å; F41-F207 HydrophobicContact CZ-CG 3.78Å; F41-T209 HydrophobicContact CD1-CG2 4.24Å; F41-T209 HydrophobicContact CD2-CG2 4.34Å; F41-T209 HydrophobicContact CE1-CG2 3.96Å; F41-T209 HydrophobicContact CE2-CG2 4.07Å; F41-T209 HydrophobicContact CG-CG2 4.43Å; F41-T209 HydrophobicContact CZ-CG2 3.88Å; F41-L260 HydrophobicContact CD1-CB 4.19Å; F41-L260 HydrophobicContact CD1-CD2 4.22Å; F41-L260 HydrophobicContact CE1-CB 4.19Å; F41-L260 HydrophobicContact CE1-CD2 3.62Å; F41-L260 HydrophobicContact CE1-CG 4.38Å; F41-L260 HydrophobicContact CZ-CD2 4.48Å; F41-V263 HydrophobicContact CD1-CB 3.78Å; F41-V263 HydrophobicContact CD1-CG1 3.95Å; F41-V263 HydrophobicContact CD1-CG2 4.18Å; F41-V263 HydrophobicContact CD2-CG1 4.14Å; F41-V263 HydrophobicContact CE1-CB 3.55Å; F41-V263 HydrophobicContact CE1-CG1 3.94Å; F41-V263 HydrophobicContact CE1-CG2 3.42Å; F41-V263 VanDerWaalsContact CE1-CG2 3.42Å; F41-V263 HydrophobicContact CE2-CG1 4.14Å; F41-V263 HydrophobicContact CE2-CG2 4.39Å; F41-V263 HydrophobicContact CG-CB 4.39Å; F41-V263 HydrophobicContact CG-CG1 4.04Å; F41-V263 HydrophobicContact CZ-CB 3.99Å; F41-V263 HydrophobicContact CZ-CG1 4.03Å; F41-V263 HydrophobicContact CZ-CG2 3.54Å; F41-M267 HydrophobicContact CB-CE 3.81Å
42G97.6Very high97.6Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-60.3-48.1-179.100000111.9S44 L45 A46 N112G42-S44 PolarHBondContact O-N 2.95Å; G42-L45 PolarHBondContact O-N 2.72Å; G42-A46 WeakPolarHBondContact O-CB 3.32Å; G42-A46 PolarHBondContact O-N 3.07Å; G42-N112 WeakPolarHBondContact CA-ND2 3.5Å; G42-N112 PolarHBondContact N-ND2 2.8Å
43N97.8Very high97.6Very high19 Ų1929.5 Ų29.510%0.10216%0.162CC..Hα-helixtrans-59.2-46.1176-169-89.9000112.3C37 S39 A46 K47C37-N43 VanDerWaalsContact O-CB 3.26Å; C37-N43 WeakPolarHBondContact O-CB 3.08Å; C37-N43 PolarHBondContact O-ND2 2.89Å; S39-N43 WeakPolarHBondContact O-CB 3.35Å; S39-N43 PolarHBondContact O-N 2.79Å; N43-A46 PolarHBondContact O-N 3.02Å; N43-K47 WeakPolarHBondContact O-CG 3.3Å; N43-K47 PolarHBondContact O-N 2.78Å; N43-K47 VanDerWaalsContact O-N 3.16Å; N43-K47 WeakPolarHBondContact OD1-CE 3.07Å; N43-K47 PolarHBondContact OD1-NZ 3.41Å
44S97.7Very high97.5Very high43 Ų4329.4 Ų29.430%0.30116%0.161SC..Hα-helixtrans-66.6-39.6-179.3-56.80000111.9G40 F41 G42 H48G40-S44 WeakPolarHBondContact O-CB 3.37Å; G40-S44 PolarHBondContact O-N 2.71Å; G40-S44 VanDerWaalsContact O-N 3.13Å; G40-S44 PolarHBondContact O-OG 2.77Å; F41-S44 PolarHBondContact O-N 2.67Å; G42-S44 PolarHBondContact O-N 2.95Å; S44-H48 VanDerWaalsContact O-CB 3.25Å; S44-H48 WeakPolarHBondContact O-CB 3.37Å; S44-H48 PolarHBondContact O-N 3.3Å
45L98.6Very high97.5Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-65.6-45175.6-178.766.2000111.3I34 F41 G42 K47 H48 L49 V110 V264 M267 I271I34-L45 HydrophobicContact CD1-CB 4.39Å; I34-L45 HydrophobicContact CD1-CD2 3.93Å; I34-L45 HydrophobicContact CD1-CG 3.94Å; I34-L45 HydrophobicContact CG1-CD2 4.31Å; I34-L45 HydrophobicContact CG2-CD2 4.41Å; F41-L45 VanDerWaalsContact O-CB 3.29Å; F41-L45 WeakPolarHBondContact O-CB 3.45Å; F41-L45 PolarHBondContact O-N 2.86Å; G42-L45 PolarHBondContact O-N 2.72Å; L45-K47 VanDerWaalsContact C-N 3.35Å; L45-K47 PolarHBondContact O-N 3.15Å; L45-H48 PolarHBondContact O-N 3.19Å; L45-H48 VanDerWaalsContact O-N 3.11Å; L45-L49 HydrophobicContact CD1-CD1 3.9Å; L45-L49 HydrophobicContact CD1-CD2 4.29Å; L45-L49 HydrophobicContact CD1-CG 3.83Å; L45-L49 HydrophobicContact CD2-CD1 4.36Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.13Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.03Å; L45-V110 HydrophobicContact CD2-CB 4.42Å; L45-V110 HydrophobicContact CD2-CG1 3.96Å; L45-V110 HydrophobicContact CD2-CG2 4.09Å; L45-V264 HydrophobicContact CB-CG1 4.43Å; L45-V264 HydrophobicContact CD1-CG1 4.1Å; L45-M267 HydrophobicContact CB-CE 3.85Å; L45-M267 HydrophobicContact CD1-CB 3.81Å; L45-M267 HydrophobicContact CD1-CE 4.4Å; L45-M267 HydrophobicContact CD2-CB 3.81Å; L45-M267 HydrophobicContact CD2-CE 3.91Å; L45-M267 HydrophobicContact CD2-CG 4.42Å; L45-M267 HydrophobicContact CD2-SD 3.86Å; L45-M267 HydrophobicContact CG-CB 4.42Å; L45-M267 HydrophobicContact CG-CE 4.27Å; L45-I271 HydrophobicContact CD1-CD1 4.36Å; L45-I271 HydrophobicContact CD2-CD1 4.09Å
46A98.6Very high97.5Very high0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-57-49.7179.400000111I34 G42 N43 H48 L49 D50 V56 A58 L69 L77I34-A46 HydrophobicContact CD1-CB 3.94Å; G42-A46 WeakPolarHBondContact O-CB 3.32Å; G42-A46 PolarHBondContact O-N 3.07Å; N43-A46 PolarHBondContact O-N 3.02Å; A46-H48 VanDerWaalsContact C-N 3.32Å; A46-H48 PolarHBondContact O-N 3.27Å; A46-L49 PolarHBondContact O-N 3.16Å; A46-D50 WeakPolarHBondContact O-CB 3.38Å; A46-D50 PolarHBondContact O-N 3.23Å; A46-V56 HydrophobicContact CB-CG1 3.99Å; A46-A58 HydrophobicContact CB-CB 4.38Å; A46-L69 HydrophobicContact CB-CD2 4.13Å; A46-L77 HydrophobicContact CB-CD1 3.99Å
47K98.3Very high97.5Very high74 Ų7429.2 Ų29.232%0.32216%0.157SC..Hα-helixtrans-61.9-37.9175-68.8170.5177.8170.60112.9N43 L45 K51 L69N43-K47 WeakPolarHBondContact O-CG 3.3Å; N43-K47 PolarHBondContact O-N 2.78Å; N43-K47 VanDerWaalsContact O-N 3.16Å; N43-K47 WeakPolarHBondContact OD1-CE 3.07Å; N43-K47 PolarHBondContact OD1-NZ 3.41Å; L45-K47 VanDerWaalsContact C-N 3.35Å; L45-K47 PolarHBondContact O-N 3.15Å; K47-K51 WeakPolarHBondContact O-CG 3.35Å; K47-K51 PolarHBondContact O-N 2.9Å; K47-L69 HydrophobicContact CD-CD1 4.31Å; K47-L69 HydrophobicContact CG-CD1 3.73Å
48H98.1Very high97.6Very high51 Ų5129.2 Ų29.224%0.23616%0.157CC..Hα-helixtrans-69.8-45.1-179-176.762.5000111.9S44 L45 A46 K51 L52 V264S44-H48 VanDerWaalsContact O-CB 3.25Å; S44-H48 WeakPolarHBondContact O-CB 3.37Å; S44-H48 PolarHBondContact O-N 3.3Å; L45-H48 PolarHBondContact O-N 3.19Å; L45-H48 VanDerWaalsContact O-N 3.11Å; A46-H48 VanDerWaalsContact C-N 3.32Å; A46-H48 PolarHBondContact O-N 3.27Å; H48-K51 PolarHBondContact O-N 2.81Å; H48-L52 WeakPolarHBondContact O-CG 3.36Å; H48-L52 PolarHBondContact O-N 2.88Å; H48-L52 VanDerWaalsContact O-N 3.1Å; H48-V264 HydrophobicContact CB-CG1 3.97Å
49L98.4Very high97.7Very high0 Ų027.3 Ų27.30%015%0.146CC..Hα-helixtrans-68.8-35.1178.5-67.4-179.3000112.5V32 I34 L45 A46 K51 L52 G53 F54 V56 E268 I271V32-L49 HydrophobicContact CB-CD1 4.27Å; V32-L49 HydrophobicContact CG1-CD1 3.77Å; V32-L49 HydrophobicContact CG2-CD1 4.4Å; I34-L49 HydrophobicContact CD1-CD1 4.12Å; L45-L49 HydrophobicContact CD1-CD1 3.9Å; L45-L49 HydrophobicContact CD1-CD2 4.29Å; L45-L49 HydrophobicContact CD1-CG 3.83Å; L45-L49 HydrophobicContact CD2-CD1 4.36Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.13Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.03Å; A46-L49 PolarHBondContact O-N 3.16Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-L52 HydrophobicContact CD2-CD1 4.38Å; L49-L52 CarbonylContact O-C 3.5Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-L52 VanDerWaalsContact O-N 3.16Å; L49-G53 PolarHBondContact O-N 3.34Å; L49-G53 VanDerWaalsContact O-N 3.09Å; L49-F54 HydrophobicContact CB-CB 4.17Å; L49-F54 HydrophobicContact CB-CD2 4.28Å; L49-F54 HydrophobicContact CB-CG 4.5Å; L49-F54 HydrophobicContact CD2-CD2 3.89Å; L49-F54 HydrophobicContact CD2-CE2 4.08Å; L49-F54 PolarHBondContact O-N 3.38Å; L49-V56 HydrophobicContact CB-CG2 3.69Å; L49-E268 HydrophobicContact CD2-CG 4.44Å; L49-I271 HydrophobicContact CD1-CD1 3.67Å
50D97.9Very high97.8Very high15 Ų1524.7 Ų24.78%0.0813%0.128CC..Hα-helixtrans-58.4-46.2172-177.241.8000111.1A46 L52 G53 V56 S73 S74 L77A46-D50 WeakPolarHBondContact O-CB 3.38Å; A46-D50 PolarHBondContact O-N 3.23Å; D50-L52 VanDerWaalsContact C-N 3.29Å; D50-L52 PolarHBondContact O-N 3.21Å; D50-G53 WeakPolarHBondContact O-CA 3.22Å; D50-G53 PolarHBondContact O-N 3.2Å; D50-V56 HydrophobicContact CB-CG2 4.49Å; D50-S73 WeakPolarHBondContact OD2-CA 2.98Å; D50-S74 WeakPolarHBondContact OD1-CB 3.45Å; D50-S74 PolarHBondContact OD1-OG 3.1Å; D50-S74 PolarHBondContact OD2-N 3.46Å; D50-L77 HydrophobicContact CB-CB 4.39Å; D50-L77 HydrophobicContact CB-CD1 4.09Å
51K96.9Very high98Very high179 Ų17931 Ų3178%0.77815%0.147SC*.Hα-helixtrans-63.4-31.1174.4-71.9177.4-178.3-172.90113.8K47 H48 L49 G53K47-K51 WeakPolarHBondContact O-CG 3.35Å; K47-K51 PolarHBondContact O-N 2.9Å; H48-K51 PolarHBondContact O-N 2.81Å; L49-K51 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 3.05Å
52L96.3Very high98Very high68 Ų6832.8 Ų32.836%0.35616%0.16SC..THydrogen-bonded Turntrans-78.3-6.3173.8-67.1177000112.5Q27 H48 L49 D50 F54 E268Q27-L52 PolarHBondContact OE1-O 3.49Å; H48-L52 WeakPolarHBondContact O-CG 3.36Å; H48-L52 PolarHBondContact O-N 2.88Å; H48-L52 VanDerWaalsContact O-N 3.1Å; L49-L52 HydrophobicContact CD2-CD1 4.38Å; L49-L52 CarbonylContact O-C 3.5Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-L52 VanDerWaalsContact O-N 3.16Å; D50-L52 VanDerWaalsContact C-N 3.29Å; D50-L52 PolarHBondContact O-N 3.21Å; L52-F54 HydrophobicContact CB-CD2 3.98Å; L52-F54 HydrophobicContact CB-CE2 4.18Å; L52-E268 HydrophobicContact CD1-CG 3.76Å
53G97.1Very high97.9Very high10 Ų1040 Ų4010%0.10319%0.193CC..THydrogen-bonded Turntrans87.415.8175.400000114.6Q27 G28 L49 D50 K51Q27-G53 CarbonylContact C-O 3.53Å; G28-G53 WeakPolarHBondContact CA-O 3.37Å; G28-G53 PolarHBondContact N-O 3.01Å; L49-G53 PolarHBondContact O-N 3.34Å; L49-G53 VanDerWaalsContact O-N 3.09Å; D50-G53 WeakPolarHBondContact O-CA 3.22Å; D50-G53 PolarHBondContact O-N 3.2Å; K51-G53 PolarHBondContact O-N 3.05Å
54F98.4Very high97.8Very high0 Ų045.4 Ų45.40%022%0.223CC..  trans-71.7154.3168.8-72.8-92.5000111.4Q27 K30 V32 L49 L52 V56 I271 A272Q27-F54 HydrophobicContact CB-CD1 4.27Å; Q27-F54 HydrophobicContact CB-CD2 4.15Å; Q27-F54 HydrophobicContact CB-CE1 4.1Å; Q27-F54 HydrophobicContact CB-CE2 3.97Å; Q27-F54 HydrophobicContact CB-CG 4.3Å; Q27-F54 HydrophobicContact CB-CZ 3.95Å; Q27-F54 HydrophobicContact CG-CD2 4.49Å; Q27-F54 HydrophobicContact CG-CE1 4.08Å; Q27-F54 HydrophobicContact CG-CE2 3.81Å; Q27-F54 HydrophobicContact CG-CZ 3.58Å; Q27-F54 WeakPolarHBondContact O-CA 3.3Å; K30-F54 HydrophobicContact CB-CD1 3.75Å; K30-F54 HydrophobicContact CB-CE1 3.93Å; K30-F54 HydrophobicContact CD-CE1 4.13Å; V32-F54 HydrophobicContact CG2-CB 4.37Å; V32-F54 HydrophobicContact CG2-CD1 3.82Å; V32-F54 HydrophobicContact CG2-CG 4.33Å; L49-F54 HydrophobicContact CB-CB 4.17Å; L49-F54 HydrophobicContact CB-CD2 4.28Å; L49-F54 HydrophobicContact CB-CG 4.5Å; L49-F54 HydrophobicContact CD2-CD2 3.89Å; L49-F54 HydrophobicContact CD2-CE2 4.08Å; L49-F54 PolarHBondContact O-N 3.38Å; L52-F54 HydrophobicContact CB-CD2 3.98Å; L52-F54 HydrophobicContact CB-CE2 4.18Å; F54-V56 HydrophobicContact CB-CG2 4.35Å; F54-V56 PolarHBondContact O-N 2.75Å; F54-I271 HydrophobicContact CE1-CG2 4.1Å; F54-I271 HydrophobicContact CZ-CG2 4.29Å; F54-A272 HydrophobicContact CE2-CB 4.37Å; F54-A272 HydrophobicContact CZ-CB 3.94Å
55C98.3Very high97.7Very high16 Ų1643.7 Ų43.711%0.10821%0.212CC..EExtended strand (participates in β ladder)trans-83.4107.9168.2-65.50000109G28 K30 Y31 V32 R76G28-C55 PolarHBondContact O-SG 3.46Å; K30-C55 PolarHBondContact O-N 3.11Å; K30-C55 VanDerWaalsContact O-N 3.16Å; Y31-C55 CarbonylContact C-O 3.59Å; Y31-C55 VanDerWaalsContact CA-O 3.25Å; Y31-C55 WeakPolarHBondContact CA-O 3.22Å; Y31-C55 HydrophobicContact CD1-CB 3.52Å; Y31-C55 HydrophobicContact CD2-CB 4.45Å; Y31-C55 HydrophobicContact CE1-CB 3.69Å; Y31-C55 HydrophobicContact CG-CB 3.94Å; V32-C55 PolarHBondContact N-O 3.01Å; C55-R76 CarbonylContact C-O 3.56Å; C55-R76 WeakPolarHBondContact CA-O 3.41Å
56V98.8Very high97.6Very high1 Ų145.3 Ų45.31%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-101130.8-172.7-179.90000110.5V32 I34 A46 L49 D50 F54 A58 R76 L77 T78V32-V56 WeakPolarHBondContact O-CA 3.1Å; I34-V56 HydrophobicContact CD1-CG1 3.85Å; A46-V56 HydrophobicContact CB-CG1 3.99Å; L49-V56 HydrophobicContact CB-CG2 3.69Å; D50-V56 HydrophobicContact CB-CG2 4.49Å; F54-V56 HydrophobicContact CB-CG2 4.35Å; F54-V56 PolarHBondContact O-N 2.75Å; V56-A58 HydrophobicContact CG1-CB 4.41Å; V56-R76 PolarHBondContact N-O 2.94Å; V56-L77 HydrophobicContact CB-CB 4.27Å; V56-L77 HydrophobicContact CB-CD1 4.12Å; V56-L77 HydrophobicContact CB-CG 3.94Å; V56-L77 HydrophobicContact CG1-CD1 4Å; V56-L77 HydrophobicContact CG1-CG 4.04Å; V56-L77 CarbonylContact O-C 3.58Å; V56-L77 WeakPolarHBondContact O-CA 3.13Å; V56-T78 PolarHBondContact O-N 2.8Å
57I98.8Very high97.5Very high1 Ų148.2 Ų48.21%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-110.7105.3171.2-53.4166.1000106.1Y31 V32 Y33 I34 T78 I80 I97 L100 V101 L106Y31-I57 HydrophobicContact CD1-CD1 4.22Å; V32-I57 PolarHBondContact O-N 3.41Å; Y33-I57 CarbonylContact C-O 3.58Å; Y33-I57 WeakPolarHBondContact CA-O 3.45Å; Y33-I57 HydrophobicContact CD2-CB 4.35Å; Y33-I57 HydrophobicContact CD2-CG2 4.12Å; Y33-I57 WeakPolarHBondContact CD2-O 3.32Å; I34-I57 PolarHBondContact N-O 3.07Å; I57-T78 CarbonylContact C-O 3.59Å; I57-T78 WeakPolarHBondContact CA-O 3.34Å; I57-I80 HydrophobicContact CG2-CG2 4.2Å; I57-I97 HydrophobicContact CD1-CG1 4.05Å; I57-I97 HydrophobicContact CD1-CG2 4.15Å; I57-I97 HydrophobicContact CG2-CD1 4.42Å; I57-I97 HydrophobicContact CG2-CG1 4.19Å; I57-L100 HydrophobicContact CD1-CD2 3.77Å; I57-L100 HydrophobicContact CG1-CD2 3.92Å; I57-V101 HydrophobicContact CD1-CG1 4.37Å; I57-L106 HydrophobicContact CD1-CD1 4.43Å
58A98.8Very high97.4Very high0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-101.7105.3-172.700000110.8C37 A46 V56 L69 L77 T78 T79 I80C37-A58 HydrophobicContact CB-CB 3.91Å; A46-A58 HydrophobicContact CB-CB 4.38Å; V56-A58 HydrophobicContact CG1-CB 4.41Å; A58-L69 HydrophobicContact CB-CD2 3.55Å; A58-L77 HydrophobicContact CB-CD2 4.12Å; A58-T78 PolarHBondContact N-O 3.49Å; A58-T79 HydrophobicContact CB-CG2 4.46Å; A58-T79 CarbonylContact O-C 3.57Å; A58-T79 WeakPolarHBondContact O-CA 3.42Å; A58-I80 PolarHBondContact O-N 3.36Å
59G98.6Very high97.3Very high0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-78.6115.7173.100000111.5I34 G36 C37 I80I34-G59 PolarHBondContact O-N 2.89Å; G36-G59 PolarHBondContact N-O 3.41Å; C37-G59 WeakPolarHBondContact CB-O 3.3Å; C37-G59 PolarHBondContact N-O 3.01Å; G59-I80 CarbonylContact C-O 3.52Å; G59-I80 WeakPolarHBondContact CA-O 3.47Å
60C98.4Very high97.2Very high0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-114.4144.7176.6-610000110.1C37 D38 E66 I80 S81 L82C37-C60 VanDerWaalsContact CB-SG 3.57Å; D38-C60 WeakPolarHBondContact OD2-CA 3.39Å; C60-E66 HydrophobicContact CB-CB 4.46Å; C60-E66 HydrophobicContact CB-CG 3.47Å; C60-E66 VanDerWaalsContact CB-CG 3.47Å; C60-I80 PolarHBondContact N-O 2.84Å; C60-S81 WeakPolarHBondContact O-CA 3.03Å; C60-L82 PolarHBondContact O-N 2.95Å
61Y97.7Very high97.1Very high151 Ų15159.1 Ų59.159%0.59229%0.294SS*.SBendtrans-81.6-31.1177.4178.6-113.7000112.3D38 L82 D83D38-Y61 PolarHBondContact OD1-N 2.89Å; D38-Y61 PolarHBondContact OD2-N 3.27Å; Y61-L82 WeakPolarHBondContact CA-O 3.49Å; Y61-D83 HydrophobicContact CD2-CB 4.15Å; Y61-D83 HydrophobicContact CE2-CB 4.1Å
62T97.1Very high97Very high60 Ų6055 Ų5537%0.36828%0.284SS..SBendtrans-112.3142.4-176.769.60000111.9D38 N64 G65 E66D38-T62 WeakPolarHBondContact OD1-CA 3.29Å; D38-T62 WeakPolarHBondContact OD1-CB 3.44Å; D38-T62 PolarHBondContact OD1-N 3.15Å; D38-T62 PolarHBondContact OD1-OG1 3.35Å; T62-N64 PolarHBondContact O-N 3.42Å; T62-G65 WeakPolarHBondContact O-CA 3.42Å; T62-G65 PolarHBondContact O-N 3.12Å; T62-G65 PolarHBondContact OG1-N 3.4Å; T62-E66 PolarHBondContact O-N 3.03Å
63E96.1Very high96.9Very high151 Ų15153.1 Ų53.171%0.70628%0.276SS*.Hα-helixtrans-59.5-35.2174.9-174.5179.7-17500112.2E66 T67E63-E66 PolarHBondContact O-N 3.46Å; E63-T67 WeakPolarHBondContact O-CB 3.46Å; E63-T67 PolarHBondContact O-N 3.32Å; E63-T67 PolarHBondContact O-OG1 2.86Å
64N96.1Very high96.8Very high133 Ų13355.1 Ų55.171%0.71129%0.289SS*.Hα-helixtrans-62.6-42.9174.1-75.2-19.3000111.6T62 T67 A68T62-N64 PolarHBondContact O-N 3.42Å; N64-T67 PolarHBondContact O-N 2.72Å; N64-A68 WeakPolarHBondContact O-CB 3.37Å; N64-A68 PolarHBondContact O-N 3.45Å
65G95.1Very high96.6Very high7 Ų764.5 Ų64.57%0.07233%0.333CS..Hα-helixtrans-61.8-44.217500000112.3T62 L69T62-G65 WeakPolarHBondContact O-CA 3.42Å; T62-G65 PolarHBondContact O-N 3.12Å; T62-G65 PolarHBondContact OG1-N 3.4Å; G65-L69 VanDerWaalsContact O-CB 3.27Å; G65-L69 WeakPolarHBondContact O-CB 3.49Å; G65-L69 PolarHBondContact O-N 3.11Å
66E95.8Very high96.5Very high34 Ų3470.2 Ų70.216%0.15935%0.352CS..Hα-helixtrans-58.1-55.1173.8-66-178-127.600111.3C60 T62 E63 A68 L69 K70 S81C60-E66 HydrophobicContact CB-CB 4.46Å; C60-E66 HydrophobicContact CB-CG 3.47Å; C60-E66 VanDerWaalsContact CB-CG 3.47Å; T62-E66 PolarHBondContact O-N 3.03Å; E63-E66 PolarHBondContact O-N 3.46Å; E66-A68 PolarHBondContact O-N 3.21Å; E66-L69 PolarHBondContact O-N 3.13Å; E66-K70 VanDerWaalsContact O-CB 3.29Å; E66-K70 WeakPolarHBondContact O-CB 3.42Å; E66-K70 PolarHBondContact O-N 2.95Å; E66-S81 WeakPolarHBondContact OE1-CA 3.49Å; E66-S81 WeakPolarHBondContact OE1-CB 3.35Å; E66-S81 PolarHBondContact OE1-N 2.9Å; E66-S81 PolarHBondContact OE1-OG 3Å; E66-S81 VanDerWaalsContact OE1-OG 3.09Å; E66-S81 PolarHBondContact OE2-N 3.27Å
67T96.4Very high96.4Very high61 Ų6170.6 Ų70.637%0.37435%0.354SS..Hα-helixtrans-63.5-43.8-175.4-60.30000111.7E63 N64 K71E63-T67 WeakPolarHBondContact O-CB 3.46Å; E63-T67 PolarHBondContact O-N 3.32Å; E63-T67 PolarHBondContact O-OG1 2.86Å; N64-T67 PolarHBondContact O-N 2.72Å; T67-K71 HydrophobicContact CG2-CD 4.29Å; T67-K71 VanDerWaalsContact O-CG 3.25Å; T67-K71 WeakPolarHBondContact O-CG 3.26Å; T67-K71 PolarHBondContact O-N 2.92Å; T67-K71 VanDerWaalsContact O-N 3.14Å
68A96.3Very high96.4Very high58 Ų5872.9 Ų72.948%0.47937%0.368SS..Hα-helixtrans-66.7-39.7179.900000112.2N64 E66N64-A68 WeakPolarHBondContact O-CB 3.37Å; N64-A68 PolarHBondContact O-N 3.45Å; E66-A68 PolarHBondContact O-N 3.21Å
69L96.7Very high96.4Very high0 Ų074 Ų740%038%0.375CS..Hα-helixtrans-70.1-43.9178.3-177.457.2000111.4C37 A46 K47 A58 G65 E66 K71 V72 S73 L77 T79C37-L69 HydrophobicContact CB-CD2 3.92Å; A46-L69 HydrophobicContact CB-CD2 4.13Å; K47-L69 HydrophobicContact CD-CD1 4.31Å; K47-L69 HydrophobicContact CG-CD1 3.73Å; A58-L69 HydrophobicContact CB-CD2 3.55Å; G65-L69 VanDerWaalsContact O-CB 3.27Å; G65-L69 WeakPolarHBondContact O-CB 3.49Å; G65-L69 PolarHBondContact O-N 3.11Å; E66-L69 PolarHBondContact O-N 3.13Å; L69-K71 VanDerWaalsContact C-N 3.28Å; L69-K71 PolarHBondContact O-N 2.91Å; L69-V72 WeakPolarHBondContact O-CG2 3.12Å; L69-V72 PolarHBondContact O-N 2.83Å; L69-S73 WeakPolarHBondContact O-CB 3.47Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 2.73Å; L69-L77 HydrophobicContact CD1-CD1 4.34Å; L69-L77 HydrophobicContact CD2-CD2 4.22Å; L69-L77 HydrophobicContact CG-CD1 4.41Å; L69-L77 HydrophobicContact CG-CD2 4.01Å; L69-T79 HydrophobicContact CB-CG2 4.07Å; L69-T79 HydrophobicContact CD2-CG2 4.17Å; L69-T79 HydrophobicContact CG-CG2 4.1Å
70K95.6Very high96.4Very high142 Ų14275.3 Ų75.362%0.61738%0.381SS*.Hα-helixtrans-59.8-36.6178.1-172.3176.4-178.5179.40112.8E66 V72 S73 T79E66-K70 VanDerWaalsContact O-CB 3.29Å; E66-K70 WeakPolarHBondContact O-CB 3.42Å; E66-K70 PolarHBondContact O-N 2.95Å; K70-V72 PolarHBondContact O-N 2.8Å; K70-S73 PolarHBondContact O-OG 3.33Å; K70-T79 HydrophobicContact CB-CG2 4Å
71K95.8Very high96.4Very high169 Ų16978.5 Ų78.574%0.73540%0.404SS*.THydrogen-bonded Turntrans-63.2-24.1179-80.5172.7179.7178.70114.2T67 L69T67-K71 HydrophobicContact CG2-CD 4.29Å; T67-K71 VanDerWaalsContact O-CG 3.25Å; T67-K71 WeakPolarHBondContact O-CG 3.26Å; T67-K71 PolarHBondContact O-N 2.92Å; T67-K71 VanDerWaalsContact O-N 3.14Å; L69-K71 VanDerWaalsContact C-N 3.28Å; L69-K71 PolarHBondContact O-N 2.91Å
72V94.7Very high96.4Very high93 Ų9371.6 Ų71.656%0.56438%0.377SS*.THydrogen-bonded Turntrans-11710.7-171.6-580000113L69 K70L69-V72 WeakPolarHBondContact O-CG2 3.12Å; L69-V72 PolarHBondContact O-N 2.83Å; K70-V72 PolarHBondContact O-N 2.8Å
73S94.1Very high96.5Very high28 Ų2869.5 Ų69.520%0.19636%0.364CS..SBendtrans-116.5158.4-175.564.50000112.5D50 L69 K70D50-S73 WeakPolarHBondContact OD2-CA 2.98Å; L69-S73 WeakPolarHBondContact O-CB 3.47Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 2.73Å; K70-S73 PolarHBondContact O-OG 3.33Å
74S95.8Very high96.6Very high53 Ų5362.9 Ų62.937%0.37133%0.333SS..  trans-75.3175.217489.90000112.2D50 R76 L77D50-S74 WeakPolarHBondContact OD1-CB 3.45Å; D50-S74 PolarHBondContact OD1-OG 3.1Å; D50-S74 PolarHBondContact OD2-N 3.46Å; S74-R76 PolarHBondContact O-N 3.32Å; S74-R76 VanDerWaalsContact O-N 3.14Å; S74-R76 WeakPolarHBondContact OG-CB 3.14Å; S74-R76 PolarHBondContact OG-N 2.95Å; S74-R76 VanDerWaalsContact OG-N 3.1Å; S74-L77 PolarHBondContact O-N 2.84Å; S74-L77 VanDerWaalsContact O-N 3.12Å
75E94.7Very high96.7Very high197 Ų19759 Ų5992%0.92132%0.316SS*.THydrogen-bonded Turntrans-61.6-17.3173.6-61.6-178172.500113.6L77E75-L77 VanDerWaalsContact C-N 3.28Å
76R95.3Very high96.8Very high135 Ų13564 Ų6451%0.50934%0.336SS..THydrogen-bonded Turntrans-78.6-12.4177.2-63-175-179.7132.70.5113.2C55 V56 S74C55-R76 CarbonylContact C-O 3.56Å; C55-R76 WeakPolarHBondContact CA-O 3.41Å; V56-R76 PolarHBondContact N-O 2.94Å; S74-R76 PolarHBondContact O-N 3.32Å; S74-R76 VanDerWaalsContact O-N 3.14Å; S74-R76 WeakPolarHBondContact OG-CB 3.14Å; S74-R76 PolarHBondContact OG-N 2.95Å; S74-R76 VanDerWaalsContact OG-N 3.1Å
77L98Very high96.9Very high9 Ų964.7 Ų64.75%0.04735%0.345CS..EExtended strand (participates in β ladder)trans-102.6118.5175.3-169.9152.9000109.9A46 D50 V56 A58 L69 S74 E75 T79A46-L77 HydrophobicContact CB-CD1 3.99Å; D50-L77 HydrophobicContact CB-CB 4.39Å; D50-L77 HydrophobicContact CB-CD1 4.09Å; V56-L77 HydrophobicContact CB-CB 4.27Å; V56-L77 HydrophobicContact CB-CD1 4.12Å; V56-L77 HydrophobicContact CB-CG 3.94Å; V56-L77 HydrophobicContact CG1-CD1 4Å; V56-L77 HydrophobicContact CG1-CG 4.04Å; V56-L77 CarbonylContact O-C 3.58Å; V56-L77 WeakPolarHBondContact O-CA 3.13Å; A58-L77 HydrophobicContact CB-CD2 4.12Å; L69-L77 HydrophobicContact CD1-CD1 4.34Å; L69-L77 HydrophobicContact CD2-CD2 4.22Å; L69-L77 HydrophobicContact CG-CD1 4.41Å; L69-L77 HydrophobicContact CG-CD2 4.01Å; S74-L77 PolarHBondContact O-N 2.84Å; S74-L77 VanDerWaalsContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.28Å; L77-T79 HydrophobicContact CD2-CG2 3.67Å
78T97.9Very high97Very high50 Ų5068.5 Ų68.531%0.30736%0.358SS..EExtended strand (participates in β ladder)trans-106.8124.5172.6-58.70000109.5V56 I57 A58 F96V56-T78 PolarHBondContact O-N 2.8Å; I57-T78 CarbonylContact C-O 3.59Å; I57-T78 WeakPolarHBondContact CA-O 3.34Å; A58-T78 PolarHBondContact N-O 3.49Å; T78-F96 HydrophobicContact CG2-CE1 4.26Å; T78-F96 HydrophobicContact CG2-CZ 4.07Å
79T98.3Very high97.2Very high23 Ų2367 Ų6714%0.14134%0.344CS..EExtended strand (participates in β ladder)trans-87.7145.6171.6580000110.6A58 L69 K70 L77A58-T79 HydrophobicContact CB-CG2 4.46Å; A58-T79 CarbonylContact O-C 3.57Å; A58-T79 WeakPolarHBondContact O-CA 3.42Å; L69-T79 HydrophobicContact CB-CG2 4.07Å; L69-T79 HydrophobicContact CD2-CG2 4.17Å; L69-T79 HydrophobicContact CG-CG2 4.1Å; K70-T79 HydrophobicContact CB-CG2 4Å; L77-T79 HydrophobicContact CD2-CG2 3.67Å
80I98Very high97.3Very high27 Ų2767 Ų6714%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-144.4141.5176.5-168.8161000111.2I57 A58 G59 C60 L82 V93 F96I57-I80 HydrophobicContact CG2-CG2 4.2Å; A58-I80 PolarHBondContact O-N 3.36Å; G59-I80 CarbonylContact C-O 3.52Å; G59-I80 WeakPolarHBondContact CA-O 3.47Å; C60-I80 PolarHBondContact N-O 2.84Å; I80-L82 PolarHBondContact O-N 3.24Å; I80-V93 HydrophobicContact CD1-CB 4.27Å; I80-V93 HydrophobicContact CD1-CG1 4.14Å; I80-V93 HydrophobicContact CD1-CG2 3.78Å; I80-V93 HydrophobicContact CG1-CG2 3.97Å; I80-V93 HydrophobicContact CG2-CG1 4.18Å; I80-V93 HydrophobicContact CG2-CG2 4.48Å; I80-F96 HydrophobicContact CD1-CB 4.12Å; I80-F96 HydrophobicContact CD1-CD1 3.45Å; I80-F96 VanDerWaalsContact CD1-CD1 3.45Å; I80-F96 HydrophobicContact CD1-CE1 4.01Å; I80-F96 HydrophobicContact CD1-CG 3.83Å
81S98.3Very high97.4Very high67 Ų6766.4 Ų66.447%0.46934%0.342SS..EExtended strand (participates in β ladder)trans-68.8126.2173-157.80000111.5C60 E66 V93C60-S81 WeakPolarHBondContact O-CA 3.03Å; E66-S81 WeakPolarHBondContact OE1-CA 3.49Å; E66-S81 WeakPolarHBondContact OE1-CB 3.35Å; E66-S81 PolarHBondContact OE1-N 2.9Å; E66-S81 PolarHBondContact OE1-OG 3Å; E66-S81 VanDerWaalsContact OE1-OG 3.09Å; E66-S81 PolarHBondContact OE2-N 3.27Å; S81-V93 WeakPolarHBondContact O-CG2 3.37Å
82L98.6Very high97.5Very high6 Ų666.3 Ų66.33%0.03134%0.341CS..  trans-146.1118.3-175.5176.871.6000111.1Y33 T35 C60 Y61 I80 V84 V90 V93Y33-L82 HydrophobicContact CE2-CD2 4.1Å; Y33-L82 WeakPolarHBondContact OH-CD1 3.11Å; Y33-L82 WeakPolarHBondContact OH-CD2 3.44Å; T35-L82 HydrophobicContact CG2-CD2 3.57Å; C60-L82 PolarHBondContact O-N 2.95Å; Y61-L82 WeakPolarHBondContact CA-O 3.49Å; I80-L82 PolarHBondContact O-N 3.24Å; L82-V84 HydrophobicContact CD1-CG1 4.33Å; L82-V84 HydrophobicContact CD2-CG1 3.68Å; L82-V84 HydrophobicContact CG-CG1 3.85Å; L82-V90 HydrophobicContact CD1-CG2 4.34Å; L82-V93 HydrophobicContact CB-CG2 4.41Å; L82-V93 HydrophobicContact CD1-CB 4.19Å; L82-V93 HydrophobicContact CD1-CG1 4.45Å; L82-V93 HydrophobicContact CD1-CG2 3.86Å
83D98.6Very high97.7Very high17 Ų1762 Ų629%0.09132%0.315CS..  trans-107.9101.5165.1-175.8-12.7000108.6Y61 S85 K86 S89Y61-D83 HydrophobicContact CD2-CB 4.15Å; Y61-D83 HydrophobicContact CE2-CB 4.1Å; D83-S85 PolarHBondContact O-N 3.35Å; D83-S85 VanDerWaalsContact O-N 3.17Å; D83-S85 WeakPolarHBondContact OD1-CB 3.48Å; D83-S85 PolarHBondContact OD1-N 3.49Å; D83-S85 PolarHBondContact OD1-OG 2.76Å; D83-K86 HydrophobicContact CB-CB 4.45Å; D83-K86 HydrophobicContact CB-CD 4.3Å; D83-K86 HydrophobicContact CB-CG 4.47Å; D83-K86 PolarHBondContact O-N 2.96Å; D83-K86 VanDerWaalsContact O-N 3.09Å; D83-K86 VanDerWaalsContact OD2-CD 3.25Å; D83-K86 WeakPolarHBondContact OD2-CD 3.2Å; D83-K86 WeakPolarHBondContact OD2-CE 3.32Å; D83-K86 IonicContact OD2-NZ 2.79Å; D83-K86 PolarHBondContact OD2-NZ 3.01Å; D83-S89 PolarHBondContact N-OG 2.96Å; D83-S89 WeakPolarHBondContact O-CB 3.32Å
84V98.6Very high97.9Very high11 Ų1161.2 Ų61.27%0.06731%0.311CS..THydrogen-bonded Turntrans-66.7-14.5-177.6-60.10000113.2T35 L82 K86 A113 V136 G140 V144T35-V84 HydrophobicContact CG2-CG1 4.31Å; L82-V84 HydrophobicContact CD1-CG1 4.33Å; L82-V84 HydrophobicContact CD2-CG1 3.68Å; L82-V84 HydrophobicContact CG-CG1 3.85Å; V84-K86 VanDerWaalsContact C-N 3.27Å; V84-A113 HydrophobicContact CG1-CB 4.04Å; V84-A113 HydrophobicContact CG2-CB 3.95Å; V84-V136 HydrophobicContact CG2-CB 4.44Å; V84-V136 HydrophobicContact CG2-CG1 3.78Å; V84-G140 WeakPolarHBondContact O-CA 3.4Å; V84-V144 HydrophobicContact CB-CG2 4.41Å; V84-V144 HydrophobicContact CG1-CG2 3.93Å
85S98.3Very high98.1Very high51 Ų5161.4 Ų61.436%0.35732%0.315SS..THydrogen-bonded Turntrans-79.2-11.3175.4740000113.1D83D83-S85 PolarHBondContact O-N 3.35Å; D83-S85 VanDerWaalsContact O-N 3.17Å; D83-S85 WeakPolarHBondContact OD1-CB 3.48Å; D83-S85 PolarHBondContact OD1-N 3.49Å; D83-S85 PolarHBondContact OD1-OG 2.76Å
86K98.4Very high98.3Very high113 Ų11356 Ų5649%0.49129%0.289SS..  trans-116112.8-176.6-65.5178.7-174.3140.80111.2D83 V84 E88 S89 V90D83-K86 HydrophobicContact CB-CB 4.45Å; D83-K86 HydrophobicContact CB-CD 4.3Å; D83-K86 HydrophobicContact CB-CG 4.47Å; D83-K86 PolarHBondContact O-N 2.96Å; D83-K86 VanDerWaalsContact O-N 3.09Å; D83-K86 VanDerWaalsContact OD2-CD 3.25Å; D83-K86 WeakPolarHBondContact OD2-CD 3.2Å; D83-K86 WeakPolarHBondContact OD2-CE 3.32Å; D83-K86 IonicContact OD2-NZ 2.79Å; D83-K86 PolarHBondContact OD2-NZ 3.01Å; V84-K86 VanDerWaalsContact C-N 3.27Å; K86-E88 VanDerWaalsContact C-N 3.26Å; K86-E88 PolarHBondContact O-N 3.27Å; K86-S89 VanDerWaalsContact O-CB 3.32Å; K86-S89 WeakPolarHBondContact O-CB 3.25Å; K86-S89 PolarHBondContact O-N 2.86Å; K86-V90 PolarHBondContact O-N 3.17Å; K86-V90 VanDerWaalsContact O-N 3.14Å
87S97.8Very high98.4Very high49 Ų4949.6 Ų49.634%0.34327%0.265SS..Hα-helixtrans-60.2-31.3-178.6-67.10000114S89 V90 K91 D143S87-S89 VanDerWaalsContact C-N 3.34Å; S87-V90 PolarHBondContact O-N 3.12Å; S87-K91 WeakPolarHBondContact O-CB 3.29Å; S87-K91 VanDerWaalsContact O-CG 3.23Å; S87-K91 WeakPolarHBondContact O-CG 3.36Å; S87-K91 PolarHBondContact O-N 3.11Å; S87-D143 VanDerWaalsContact CA-OD2 3.25Å; S87-D143 WeakPolarHBondContact CA-OD2 3.3Å; S87-D143 WeakPolarHBondContact CB-OD2 3.47Å; S87-D143 PolarHBondContact OG-OD2 3.34Å
88E98.4Very high98.4Very high140 Ų14055.7 Ų55.765%0.65429%0.291SS*.Hα-helixtrans-64.7-39.6174.3-65.370.3-150.300111.7K86 K92K86-E88 VanDerWaalsContact C-N 3.26Å; K86-E88 PolarHBondContact O-N 3.27Å; E88-K92 WeakPolarHBondContact O-CB 3.5Å; E88-K92 PolarHBondContact O-N 2.72Å
89S98.6Very high98.5Very high26 Ų2659.1 Ų59.118%0.18231%0.312CS..Hα-helixtrans-63.5-48.5175.8-175.10000110.3D83 K86 S87 K91 K92 V93D83-S89 PolarHBondContact N-OG 2.96Å; D83-S89 WeakPolarHBondContact O-CB 3.32Å; K86-S89 VanDerWaalsContact O-CB 3.32Å; K86-S89 WeakPolarHBondContact O-CB 3.25Å; K86-S89 PolarHBondContact O-N 2.86Å; S87-S89 VanDerWaalsContact C-N 3.34Å; S89-K91 PolarHBondContact O-N 3.4Å; S89-K92 PolarHBondContact O-N 2.87Å; S89-V93 WeakPolarHBondContact O-CG2 3.39Å; S89-V93 PolarHBondContact O-N 3.39Å
90V98.8Very high98.4Very high1 Ų160.9 Ų60.91%0.00632%0.32CS..Hα-helixtrans-58.4-48177.2176.60000111.5L82 K86 S87 K92 V93 A94 D143 V144 S147L82-V90 HydrophobicContact CD1-CG2 4.34Å; K86-V90 PolarHBondContact O-N 3.17Å; K86-V90 VanDerWaalsContact O-N 3.14Å; S87-V90 PolarHBondContact O-N 3.12Å; V90-K92 PolarHBondContact O-N 2.97Å; V90-V93 PolarHBondContact O-N 3.28Å; V90-A94 WeakPolarHBondContact O-CB 3.34Å; V90-A94 PolarHBondContact O-N 3.33Å; V90-D143 HydrophobicContact CG1-CB 4.46Å; V90-V144 HydrophobicContact CG1-CG2 4.06Å; V90-V144 HydrophobicContact CG2-CG2 3.97Å; V90-S147 WeakPolarHBondContact CG1-OG 3.38Å
91K98.5Very high98.4Very high130 Ų13059.8 Ų59.857%0.56532%0.315SS*.Hα-helixtrans-60.7-42.6178.3-74.3170.3-174.6172.20112.5S87 S89 A94 A95S87-K91 WeakPolarHBondContact O-CB 3.29Å; S87-K91 VanDerWaalsContact O-CG 3.23Å; S87-K91 WeakPolarHBondContact O-CG 3.36Å; S87-K91 PolarHBondContact O-N 3.11Å; S89-K91 PolarHBondContact O-N 3.4Å; K91-A94 PolarHBondContact O-N 3.45Å; K91-A95 WeakPolarHBondContact O-CB 3.32Å; K91-A95 PolarHBondContact O-N 3.11Å
92K98.6Very high98.3Very high166 Ų16658 Ų5872%0.72231%0.307SS*.Hα-helixtrans-61.4-45.8177.2-178.1-179.8176.7-177.10111.1E88 S89 V90 A95 F96E88-K92 WeakPolarHBondContact O-CB 3.5Å; E88-K92 PolarHBondContact O-N 2.72Å; S89-K92 PolarHBondContact O-N 2.87Å; V90-K92 PolarHBondContact O-N 2.97Å; K92-A95 PolarHBondContact O-N 2.95Å; K92-F96 PolarHBondContact O-N 3.46Å
93V98.7Very high98.2Very high3 Ų365 Ų652%0.01834%0.34CS..Hα-helixtrans-65.2-43.6177.1172.80000111.1Y33 I80 S81 L82 S89 V90 A95 F96 I97Y33-V93 HydrophobicContact CE1-CG1 4.49Å; Y33-V93 HydrophobicContact CE2-CG1 4.11Å; I80-V93 HydrophobicContact CD1-CB 4.27Å; I80-V93 HydrophobicContact CD1-CG1 4.14Å; I80-V93 HydrophobicContact CD1-CG2 3.78Å; I80-V93 HydrophobicContact CG1-CG2 3.97Å; I80-V93 HydrophobicContact CG2-CG1 4.18Å; I80-V93 HydrophobicContact CG2-CG2 4.48Å; S81-V93 WeakPolarHBondContact O-CG2 3.37Å; L82-V93 HydrophobicContact CB-CG2 4.41Å; L82-V93 HydrophobicContact CD1-CB 4.19Å; L82-V93 HydrophobicContact CD1-CG1 4.45Å; L82-V93 HydrophobicContact CD1-CG2 3.86Å; S89-V93 WeakPolarHBondContact O-CG2 3.39Å; S89-V93 PolarHBondContact O-N 3.39Å; V90-V93 PolarHBondContact O-N 3.28Å; V93-A95 VanDerWaalsContact C-N 3.33Å; V93-A95 PolarHBondContact O-N 3.39Å; V93-F96 WeakPolarHBondContact O-CB 3.45Å; V93-F96 PolarHBondContact O-N 3.19Å; V93-I97 HydrophobicContact CG1-CD1 3.73Å; V93-I97 HydrophobicContact CG1-CG1 4.23Å; V93-I97 VanDerWaalsContact O-CG1 3.27Å; V93-I97 WeakPolarHBondContact O-CG1 3.24Å; V93-I97 PolarHBondContact O-N 3.25Å
94A98.7Very high98.1Very high12 Ų1269.5 Ų69.510%0.09936%0.358CS..Hα-helixtrans-61.3-39.5177.200000112.6V90 K91 I97 K98 V148V90-A94 WeakPolarHBondContact O-CB 3.34Å; V90-A94 PolarHBondContact O-N 3.33Å; K91-A94 PolarHBondContact O-N 3.45Å; A94-I97 PolarHBondContact O-N 3.44Å; A94-K98 WeakPolarHBondContact O-CB 3.41Å; A94-K98 PolarHBondContact O-N 2.93Å; A94-V148 HydrophobicContact CB-CG1 4.11Å
95A98.6Very high98.1Very high56 Ų5669 Ų6946%0.46336%0.356SS..Hα-helixtrans-63.6-43.6174.100000111.9K91 K92 V93 K98 T99K91-A95 WeakPolarHBondContact O-CB 3.32Å; K91-A95 PolarHBondContact O-N 3.11Å; K92-A95 PolarHBondContact O-N 2.95Å; V93-A95 VanDerWaalsContact C-N 3.33Å; V93-A95 PolarHBondContact O-N 3.39Å; A95-K98 PolarHBondContact O-N 2.86Å; A95-T99 PolarHBondContact O-N 3.07Å; A95-T99 PolarHBondContact O-OG1 3.44Å
96F98.6Very high98.1Very high84 Ų8466.6 Ų66.637%0.36834%0.339SS..Hα-helixtrans-59.9-47.8173.6171.3-98.7000112T78 I80 K92 V93 K98 T99 L100T78-F96 HydrophobicContact CG2-CE1 4.26Å; T78-F96 HydrophobicContact CG2-CZ 4.07Å; I80-F96 HydrophobicContact CD1-CB 4.12Å; I80-F96 HydrophobicContact CD1-CD1 3.45Å; I80-F96 VanDerWaalsContact CD1-CD1 3.45Å; I80-F96 HydrophobicContact CD1-CE1 4.01Å; I80-F96 HydrophobicContact CD1-CG 3.83Å; K92-F96 PolarHBondContact O-N 3.46Å; V93-F96 WeakPolarHBondContact O-CB 3.45Å; V93-F96 PolarHBondContact O-N 3.19Å; F96-K98 VanDerWaalsContact C-N 3.32Å; F96-K98 PolarHBondContact O-N 3Å; F96-T99 PolarHBondContact O-N 3Å; F96-L100 HydrophobicContact CE1-CD2 3.95Å; F96-L100 HydrophobicContact CZ-CD2 4.17Å; F96-L100 WeakPolarHBondContact O-CB 3.24Å; F96-L100 PolarHBondContact O-N 2.81Å
97I98.6Very high98.1Very high0 Ų062.4 Ų62.40%032%0.32CS..Hα-helixtrans-59.2-44.7177.9-67170.5000110.2Y33 I57 V93 A94 T99 L100 V101 L106 V148 L151Y33-I97 HydrophobicContact CD1-CD1 3.44Å; Y33-I97 VanDerWaalsContact CD1-CD1 3.44Å; Y33-I97 HydrophobicContact CD2-CD1 3.94Å; Y33-I97 HydrophobicContact CE1-CD1 3.66Å; Y33-I97 HydrophobicContact CE2-CD1 4.19Å; Y33-I97 HydrophobicContact CG-CD1 3.6Å; I57-I97 HydrophobicContact CD1-CG1 4.05Å; I57-I97 HydrophobicContact CD1-CG2 4.15Å; I57-I97 HydrophobicContact CG2-CD1 4.42Å; I57-I97 HydrophobicContact CG2-CG1 4.19Å; V93-I97 HydrophobicContact CG1-CD1 3.73Å; V93-I97 HydrophobicContact CG1-CG1 4.23Å; V93-I97 VanDerWaalsContact O-CG1 3.27Å; V93-I97 WeakPolarHBondContact O-CG1 3.24Å; V93-I97 PolarHBondContact O-N 3.25Å; A94-I97 PolarHBondContact O-N 3.44Å; I97-T99 VanDerWaalsContact C-N 3.3Å; I97-T99 PolarHBondContact O-N 3.42Å; I97-L100 PolarHBondContact O-N 2.96Å; I97-L100 VanDerWaalsContact O-N 3.14Å; I97-V101 HydrophobicContact CG2-CG1 3.98Å; I97-V101 WeakPolarHBondContact O-CG1 3.42Å; I97-V101 WeakPolarHBondContact O-CG2 3.33Å; I97-V101 PolarHBondContact O-N 2.92Å; I97-L106 HydrophobicContact CG2-CD1 4.06Å; I97-L106 HydrophobicContact CG2-CD2 4.37Å; I97-V148 HydrophobicContact CD1-CG1 4.19Å; I97-L151 HydrophobicContact CG2-CD1 3.85Å
98K98.6Very high98.2Very high138 Ų13860.1 Ų60.160%0.630%0.304SS*.Hα-helixtrans-55.3-45178.2179.4175.8-180-173.70111.8A94 A95 F96 G102 L151A94-K98 WeakPolarHBondContact O-CB 3.41Å; A94-K98 PolarHBondContact O-N 2.93Å; A95-K98 PolarHBondContact O-N 2.86Å; F96-K98 VanDerWaalsContact C-N 3.32Å; F96-K98 PolarHBondContact O-N 3Å; K98-G102 PolarHBondContact O-N 3.27Å; K98-L151 HydrophobicContact CB-CD1 4.06Å; K98-L151 HydrophobicContact CB-CD2 4.34Å; K98-L151 HydrophobicContact CG-CD2 4.13Å
99T98.2Very high98.2Very high121 Ų12153.4 Ų53.474%0.74227%0.273SS*.Hα-helixtrans-66.4-43.9176.5-55.90000111.6A95 F96 I97A95-T99 PolarHBondContact O-N 3.07Å; A95-T99 PolarHBondContact O-OG1 3.44Å; F96-T99 PolarHBondContact O-N 3Å; I97-T99 VanDerWaalsContact C-N 3.3Å; I97-T99 PolarHBondContact O-N 3.42Å
100L97.6Very high98.2Very high60 Ų6052.2 Ų52.231%0.31426%0.264SS..Hα-helixtrans-66-41.8-176.4-178.263.1000113.1Y31 I57 F96 I97Y31-L100 HydrophobicContact CD1-CD2 4.45Å; Y31-L100 HydrophobicContact CD1-CG 4.44Å; Y31-L100 HydrophobicContact CE1-CD2 4.32Å; Y31-L100 HydrophobicContact CE1-CG 3.99Å; I57-L100 HydrophobicContact CD1-CD2 3.77Å; I57-L100 HydrophobicContact CG1-CD2 3.92Å; F96-L100 HydrophobicContact CE1-CD2 3.95Å; F96-L100 HydrophobicContact CZ-CD2 4.17Å; F96-L100 WeakPolarHBondContact O-CB 3.24Å; F96-L100 PolarHBondContact O-N 2.81Å; I97-L100 PolarHBondContact O-N 2.96Å; I97-L100 VanDerWaalsContact O-N 3.14Å
101V97.8Very high98.2Very high5 Ų552.2 Ų52.23%0.0326%0.264CS..Hα-helixtrans-87.9-23.4-175-52.20000113.5Y31 I57 I97 E103 K104 G105 L106 L151Y31-V101 HydrophobicContact CD1-CG1 3.91Å; Y31-V101 HydrophobicContact CD2-CB 4.28Å; Y31-V101 HydrophobicContact CD2-CG1 4.01Å; Y31-V101 HydrophobicContact CG-CB 4.35Å; Y31-V101 HydrophobicContact CG-CG1 3.59Å; I57-V101 HydrophobicContact CD1-CG1 4.37Å; I97-V101 HydrophobicContact CG2-CG1 3.98Å; I97-V101 WeakPolarHBondContact O-CG1 3.42Å; I97-V101 WeakPolarHBondContact O-CG2 3.33Å; I97-V101 PolarHBondContact O-N 2.92Å; V101-E103 PolarHBondContact O-N 3.24Å; V101-K104 WeakPolarHBondContact O-CB 3.43Å; V101-K104 PolarHBondContact O-N 2.91Å; V101-K104 VanDerWaalsContact O-N 3.12Å; V101-G105 WeakPolarHBondContact CB-O 3.45Å; V101-L106 HydrophobicContact CG1-CD1 4.39Å; V101-L151 HydrophobicContact CG2-CD1 4.19Å; V101-L151 HydrophobicContact CG2-CD2 4.35Å
102G96.8Very high98.2Very high30 Ų3047 Ų4731%0.30924%0.243SC..G310 helixtrans49.8-130.8179.200000113.7K98 K104 G105K98-G102 PolarHBondContact O-N 3.27Å; G102-K104 VanDerWaalsContact C-N 3.31Å; G102-K104 PolarHBondContact O-N 3.12Å; G102-G105 PolarHBondContact O-N 3.38Å
103E95.9Very high98.1Very high152 Ų15239.8 Ų39.871%0.7121%0.214SC*.G310 helixtrans-74.6-16.4-179.2-67.1-50.8120.300114.3V101 G105 K154V101-E103 PolarHBondContact O-N 3.24Å; E103-G105 PolarHBondContact O-N 2.61Å; E103-K154 WeakPolarHBondContact O-CD 3.23Å; E103-K154 IonicContact OE1-NZ 2.94Å; E103-K154 PolarHBondContact OE1-NZ 3.09Å; E103-K154 IonicContact OE2-NZ 2.75Å; E103-K154 PolarHBondContact OE2-NZ 3.05Å
104K96.1Very high98Very high111 Ų11140.9 Ų40.948%0.48323%0.226SC..G310 helixtrans-66.9-27.8174.6-62.8-178178.3-174.40111.6D29 Y31 V101 G102D29-K104 IonicContact OD1-NZ 2.72Å; D29-K104 PolarHBondContact OD1-NZ 3.41Å; Y31-K104 HydrophobicContact CE2-CD 4.03Å; V101-K104 WeakPolarHBondContact O-CB 3.43Å; V101-K104 PolarHBondContact O-N 2.91Å; V101-K104 VanDerWaalsContact O-N 3.12Å; G102-K104 VanDerWaalsContact C-N 3.31Å; G102-K104 PolarHBondContact O-N 3.12Å
105G98.2Very high97.8Very high2 Ų243 Ų432%0.02124%0.237CC..  trans70.2-178.3-174.600000113.1V101 G102 E103V101-G105 WeakPolarHBondContact CB-O 3.45Å; G102-G105 PolarHBondContact O-N 3.38Å; E103-G105 PolarHBondContact O-N 2.61Å
106L98.8Very high97.5Very high0 Ų041 Ų410%022%0.22CC..  trans-97.2115.2-177.7-176.967.1000110Y31 Y33 I57 I97 V101 V109 V148 L151 I152 A155Y31-L106 WeakPolarHBondContact O-CD1 3.42Å; Y33-L106 HydrophobicContact CD1-CD2 4.48Å; I57-L106 HydrophobicContact CD1-CD1 4.43Å; I97-L106 HydrophobicContact CG2-CD1 4.06Å; I97-L106 HydrophobicContact CG2-CD2 4.37Å; V101-L106 HydrophobicContact CG1-CD1 4.39Å; L106-V109 HydrophobicContact CD2-CB 4.35Å; L106-V148 HydrophobicContact CD2-CB 3.75Å; L106-V148 HydrophobicContact CD2-CG1 4.23Å; L106-V148 HydrophobicContact CD2-CG2 3.73Å; L106-L151 HydrophobicContact CB-CB 3.7Å; L106-L151 PolarHBondContact N-O 3.27Å; L106-I152 HydrophobicContact CB-CG1 4.18Å; L106-I152 HydrophobicContact CD2-CD1 4.38Å; L106-I152 HydrophobicContact CD2-CG1 3.99Å; L106-I152 HydrophobicContact CG-CG1 4.28Å; L106-I152 WeakPolarHBondContact O-CA 3.24Å; L106-A155 WeakPolarHBondContact O-CB 3.44Å
107W98.8Very high97.1Very high25 Ų2538.4 Ų38.410%0.09521%0.211CC..SBendtrans-67.3-42.5-176.6172-111.5000112.7V24 K30 Y31 G157 R158 I271V24-W107 HydrophobicContact CB-CZ2 4.26Å; V24-W107 HydrophobicContact CG1-CH2 4.01Å; V24-W107 HydrophobicContact CG1-CZ2 3.74Å; V24-W107 HydrophobicContact CG2-CZ2 3.98Å; K30-W107 HydrophobicContact CB-CB 3.76Å; K30-W107 HydrophobicContact CB-CD2 4.44Å; K30-W107 HydrophobicContact CB-CG 3.71Å; K30-W107 HydrophobicContact CD-CD2 3.79Å; K30-W107 HydrophobicContact CD-CE3 4.37Å; K30-W107 HydrophobicContact CD-CG 3.93Å; K30-W107 HydrophobicContact CD-CZ2 4.16Å; K30-W107 HydrophobicContact CG-CB 4.15Å; K30-W107 HydrophobicContact CG-CD2 4.11Å; K30-W107 HydrophobicContact CG-CG 3.88Å; Y31-W107 WeakPolarHBondContact O-CA 3.46Å; Y31-W107 VanDerWaalsContact O-CB 3.29Å; Y31-W107 WeakPolarHBondContact O-CB 3.18Å; Y31-W107 PolarHBondContact O-N 2.78Å; W107-G157 CarbonylContact O-C 3.54Å; W107-G157 WeakPolarHBondContact O-CA 3.43Å; W107-R158 PolarHBondContact O-N 3.24Å; W107-I271 PolarHBondContact NE1-O 2.63Å
108A98.8Very high96.7Very high0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-148.9147.3176.700000112.4Y31 V32 Y33 R158 I271Y31-A108 PolarHBondContact O-N 3.01Å; V32-A108 WeakPolarHBondContact CA-O 3.44Å; V32-A108 HydrophobicContact CG1-CB 4.2Å; V32-A108 HydrophobicContact CG2-CB 4.35Å; Y33-A108 PolarHBondContact N-O 2.83Å; A108-R158 CarbonylContact C-O 3.58Å; A108-R158 VanDerWaalsContact CA-O 3.24Å; A108-R158 WeakPolarHBondContact CA-O 3.1Å; A108-R158 HydrophobicContact CB-CB 4.07Å; A108-I271 HydrophobicContact CB-CG1 4.32Å; A108-I271 HydrophobicContact CB-CG2 4.39Å
109V98.9Very high96.2Very high0 Ų033.5 Ų33.50%019%0.194CC..EExtended strand (participates in β ladder)trans-112.4137160.167.20000109.3Y33 L106 V144 V148 I152 R158 V159 V160Y33-V109 HydrophobicContact CD1-CB 4.47Å; Y33-V109 HydrophobicContact CD1-CG2 3.63Å; Y33-V109 HydrophobicContact CE1-CG2 4.21Å; Y33-V109 HydrophobicContact CG-CG2 4.29Å; Y33-V109 CarbonylContact O-C 3.55Å; Y33-V109 VanDerWaalsContact O-CA 3.31Å; Y33-V109 WeakPolarHBondContact O-CA 3.35Å; L106-V109 HydrophobicContact CD2-CB 4.35Å; V109-V144 HydrophobicContact CG2-CG1 3.85Å; V109-V148 HydrophobicContact CB-CG2 4.13Å; V109-V148 HydrophobicContact CG1-CG2 4.37Å; V109-V148 HydrophobicContact CG2-CG2 4.21Å; V109-I152 HydrophobicContact CB-CD1 3.92Å; V109-I152 HydrophobicContact CG1-CD1 3.37Å; V109-R158 PolarHBondContact N-O 3.05Å; V109-V159 HydrophobicContact CG1-CB 4.23Å; V109-V159 HydrophobicContact CG1-CG1 4.03Å; V109-V159 HydrophobicContact CG1-CG2 4.05Å; V109-V160 PolarHBondContact O-N 3.44Å
110V98.9Very high95.8Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans-118.6101.8176.3-172.30000108.2V32 Y33 I34 T35 L45 N112 V160 V162 M267 I271V32-V110 HydrophobicContact CG1-CG2 4.14Å; Y33-V110 PolarHBondContact O-N 2.84Å; I34-V110 HydrophobicContact CB-CB 4.38Å; I34-V110 HydrophobicContact CG1-CB 4.21Å; I34-V110 HydrophobicContact CG1-CG2 4.17Å; I34-V110 HydrophobicContact CG2-CB 4.16Å; I34-V110 HydrophobicContact CG2-CG1 4.4Å; T35-V110 PolarHBondContact N-O 3.43Å; T35-V110 PolarHBondContact OG1-O 2.83Å; L45-V110 HydrophobicContact CD2-CB 4.42Å; L45-V110 HydrophobicContact CD2-CG1 3.96Å; L45-V110 HydrophobicContact CD2-CG2 4.09Å; V110-N112 HydrophobicContact CG1-CB 4.19Å; V110-N112 PolarHBondContact O-N 2.86Å; V110-N112 VanDerWaalsContact O-N 3.09Å; V110-V160 CarbonylContact C-O 3.56Å; V110-V160 WeakPolarHBondContact CA-O 3.18Å; V110-V160 HydrophobicContact CB-CB 4.49Å; V110-V160 HydrophobicContact CG1-CB 4.33Å; V110-V160 HydrophobicContact CG1-CG1 4.3Å; V110-V160 HydrophobicContact CG2-CB 4.22Å; V110-V162 HydrophobicContact CG1-CG2 4.38Å; V110-M267 HydrophobicContact CG1-SD 4.13Å; V110-I271 HydrophobicContact CG2-CD1 3.66Å; V110-I271 HydrophobicContact CG2-CG1 4.31Å
111N98.8Very high95.5Very high2 Ų226.5 Ų26.51%0.01116%0.156CC..EExtended strand (participates in β ladder)trans-79.687.9175.4-67.2-52.5000109.2V141 V144 T145 V160 N161 V162N111-V141 HydrophobicContact CB-CB 4.42Å; N111-V141 HydrophobicContact CB-CG1 3.84Å; N111-V141 HydrophobicContact CB-CG2 4.17Å; N111-V144 WeakPolarHBondContact OD1-CG1 3.26Å; N111-T145 PolarHBondContact ND2-OG1 2.96Å; N111-V160 PolarHBondContact N-O 2.86Å; N111-N161 PolarHBondContact ND2-OD1 3.19Å; N111-V162 WeakPolarHBondContact O-CB 3.27Å; N111-V162 PolarHBondContact O-N 2.86Å
112N98.6Very high95.2Very high21 Ų2130.4 Ų30.411%0.11218%0.179CC..  trans-110.8-22.9-177.1161.888.9000113.3T35 G36 F41 G42 V110 G114 V162T35-N112 VanDerWaalsContact O-CB 3.27Å; T35-N112 WeakPolarHBondContact O-CB 3.36Å; T35-N112 PolarHBondContact O-ND2 2.64Å; T35-N112 PolarHBondContact OG1-N 2.82Å; G36-N112 PolarHBondContact O-ND2 3.18Å; F41-N112 WeakPolarHBondContact CB-OD1 3.41Å; G42-N112 WeakPolarHBondContact CA-ND2 3.5Å; G42-N112 PolarHBondContact N-ND2 2.8Å; V110-N112 HydrophobicContact CG1-CB 4.19Å; V110-N112 PolarHBondContact O-N 2.86Å; V110-N112 VanDerWaalsContact O-N 3.09Å; N112-G114 PolarHBondContact O-N 3.43Å; N112-V162 HydrophobicContact CB-CB 4.49Å; N112-V162 HydrophobicContact CB-CG2 3.89Å
113A97.1Very high95Very high14 Ų1434.3 Ų34.312%0.11619%0.189CC..  trans-52.5132.9176.700000111.3T35 V84T35-A113 PolarHBondContact O-N 2.95Å; T35-A113 WeakPolarHBondContact OG1-CB 3.35Å; T35-A113 PolarHBondContact OG1-N 3.04Å; V84-A113 HydrophobicContact CG1-CB 4.04Å; V84-A113 HydrophobicContact CG2-CB 3.95Å
114G95.9Very high94.9Very high26 Ų2627.2 Ų27.227%0.26816%0.156SC..  trans-174.7156.5178.400000113.7N112 N137N112-G114 PolarHBondContact O-N 3.43Å; G114-N137 WeakPolarHBondContact CA-OD1 3.4Å
115V94.9Very high94.9Very high55 Ų5522.9 Ų22.933%0.33314%0.138SC..  trans-128.9156.8178.3-62.90000110.3M133 V136 N137 Y176V115-M133 HydrophobicContact CG2-CG 4.14Å; V115-V136 HydrophobicContact CG1-CG1 4.4Å; V115-V136 HydrophobicContact CG2-CB 4.24Å; V115-V136 HydrophobicContact CG2-CG1 4.4Å; V115-V136 HydrophobicContact CG2-CG2 4.5Å; V115-N137 PolarHBondContact N-OD1 3.21Å; V115-N137 PolarHBondContact O-ND2 3.39Å; V115-N137 PolarHBondContact O-OD1 3.05Å; V115-Y176 WeakPolarHBondContact O-CD2 3.44Å
116S91.8Very high94.8Very high14 Ų1426 Ų2610%0.09816%0.156CC..  trans-120.8-0.7177.349.80000113.6S119 M133 V211S116-S119 WeakPolarHBondContact O-CB 3.28Å; S116-S119 PolarHBondContact O-OG 2.74Å; S116-M133 WeakPolarHBondContact O-CE 3.28Å; S116-V211 VanDerWaalsContact CB-CG1 3.45Å; S116-V211 WeakPolarHBondContact CB-O 3.45Å; S116-V211 WeakPolarHBondContact OG-CA 3.46Å; S116-V211 WeakPolarHBondContact OG-CG1 3.27Å; S116-V211 PolarHBondContact OG-O 2.8Å
117T90.7Very high94.7Very high31 Ų3131.4 Ų31.419%0.1918%0.184CC..  trans-112.7141.3177.855.10000110.5M133 I216 L217 H220T117-M133 VanDerWaalsContact C-CE 3.42Å; T117-M133 WeakPolarHBondContact O-CE 3.2Å; T117-I216 HydrophobicContact CG2-CG2 4.24Å; T117-L217 HydrophobicContact CG2-CD2 3.75Å; T117-H220 HydrophobicContact CG2-CB 3.93Å; T117-H220 VanDerWaalsContact CG2-CD2 3.49Å; T117-H220 WeakPolarHBondContact CG2-CD2 3.36Å; T117-H220 PolarHBondContact OG1-NE2 3.08Å
118P90.7Very high94.6Very high14 Ų1434.7 Ų34.79%0.09120%0.204CC..SBendcis-76.1147.6-1.332.5-36.5000113.8L125 D129 M133 P175 L224P118-L125 HydrophobicContact CB-CD2 4.04Å; P118-L125 HydrophobicContact CG-CD2 4.26Å; P118-D129 HydrophobicContact CG-CB 3.52Å; P118-M133 WeakPolarHBondContact O-CE 3.41Å; P118-P175 WeakPolarHBondContact O-CG 3.49Å; P118-L224 HydrophobicContact CB-CD1 4.29Å; P118-L224 HydrophobicContact CB-CD2 4.02Å
119S86.9Confident94.5Very high21 Ų2135.5 Ų35.515%0.14721%0.208CC..  trans-140.6134.6171.9-76.50000110S116 L224S116-S119 WeakPolarHBondContact O-CB 3.28Å; S116-S119 PolarHBondContact O-OG 2.74Å; S119-L224 WeakPolarHBondContact O-CD1 3.49Å
120G90Very high94.4Very high9 Ų937.6 Ų37.69%0.09322%0.216CC..SBendtrans178.6-176.2-177.500000111.8G173G120-G173 CarbonylContact O-C 3.6Å
121P91.3Very high94.3Very high25 Ų2543.2 Ų43.216%0.16224%0.241CC..  trans-50142.9171.2-26.335000111.8E123 W124 Y236 F240P121-E123 VanDerWaalsContact C-N 3.26Å; P121-E123 PolarHBondContact O-N 3.18Å; P121-W124 HydrophobicContact CB-CD2 4.14Å; P121-W124 HydrophobicContact CB-CG 3.93Å; P121-W124 HydrophobicContact CG-CD2 3.79Å; P121-W124 HydrophobicContact CG-CE3 4.23Å; P121-W124 HydrophobicContact CG-CG 4.13Å; P121-W124 HydrophobicContact CG-CH2 4.48Å; P121-W124 HydrophobicContact CG-CZ2 4.08Å; P121-W124 WeakPolarHBondContact O-CB 3.37Å; P121-W124 PolarHBondContact O-N 2.92Å; P121-Y236 HydrophobicContact CB-CE1 3.92Å; P121-Y236 HydrophobicContact CG-CE1 3.95Å; P121-F240 HydrophobicContact CG-CE1 3.93Å; P121-F240 HydrophobicContact CG-CZ 3.95Å
122V92.1Very high94.2Very high86 Ų8646.1 Ų46.152%0.52126%0.261SS..G310 helixtrans-58.3-41-172.2175.30000111.8W124 L125V122-W124 PolarHBondContact O-N 3.48Å; V122-L125 WeakPolarHBondContact O-CB 3.34Å; V122-L125 PolarHBondContact O-N 3.16Å; V122-L125 VanDerWaalsContact O-N 3.12Å
123E92.6Very high94.1Very high112 Ų11245.1 Ų45.152%0.52326%0.256SS..G310 helixtrans-67.9-16.7-179.4-166169.5-138.500113.5P121 L125 L232 Y236P121-E123 VanDerWaalsContact C-N 3.26Å; P121-E123 PolarHBondContact O-N 3.18Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L232 VanDerWaalsContact CD-CD2 3.4Å; E123-L232 HydrophobicContact CG-CD1 3.99Å; E123-L232 HydrophobicContact CG-CD2 3.81Å; E123-Y236 WeakPolarHBondContact OE2-CE2 3.31Å; E123-Y236 PolarHBondContact OE2-OH 3.24Å
124W94.2Very high94.2Very high4 Ų446.2 Ų46.22%0.01526%0.26CS..G310 helixtrans-82.9-8.4176-63.613.5000112.8P121 V122 F221 L224 W225 R227 L228 Y236 F240P121-W124 HydrophobicContact CB-CD2 4.14Å; P121-W124 HydrophobicContact CB-CG 3.93Å; P121-W124 HydrophobicContact CG-CD2 3.79Å; P121-W124 HydrophobicContact CG-CE3 4.23Å; P121-W124 HydrophobicContact CG-CG 4.13Å; P121-W124 HydrophobicContact CG-CH2 4.48Å; P121-W124 HydrophobicContact CG-CZ2 4.08Å; P121-W124 WeakPolarHBondContact O-CB 3.37Å; P121-W124 PolarHBondContact O-N 2.92Å; V122-W124 PolarHBondContact O-N 3.48Å; W124-F221 HydrophobicContact CE3-CE2 4.39Å; W124-F221 HydrophobicContact CE3-CZ 4.43Å; W124-F221 AromaticContact CH2-CE1 3.91Å; W124-F221 HydrophobicContact CH2-CE1 3.91Å; W124-F221 HydrophobicContact CH2-CE2 4.47Å; W124-F221 AromaticContact CH2-CZ 3.73Å; W124-F221 HydrophobicContact CH2-CZ 3.73Å; W124-F221 HydrophobicContact CZ3-CD1 4.25Å; W124-F221 HydrophobicContact CZ3-CD2 4.33Å; W124-F221 AromaticContact CZ3-CE1 3.74Å; W124-F221 HydrophobicContact CZ3-CE1 3.74Å; W124-F221 AromaticContact CZ3-CE2 3.84Å; W124-F221 HydrophobicContact CZ3-CE2 3.84Å; W124-F221 AromaticContact CZ3-CZ 3.5Å; W124-F221 HydrophobicContact CZ3-CZ 3.5Å; W124-L224 HydrophobicContact CE3-CB 4.1Å; W124-W225 AromaticContact CH2-CE3 3.45Å; W124-W225 HydrophobicContact CH2-CE3 3.45Å; W124-W225 VanDerWaalsContact CH2-CE3 3.45Å; W124-W225 AromaticContact CH2-CZ3 3.99Å; W124-W225 HydrophobicContact CH2-CZ3 3.99Å; W124-W225 AromaticContact CZ2-CE3 3.59Å; W124-W225 HydrophobicContact CZ2-CE3 3.59Å; W124-W225 AromaticContact CZ2-CZ3 3.75Å; W124-W225 HydrophobicContact CZ2-CZ3 3.75Å; W124-W225 HydrophobicContact CZ3-CB 4.3Å; W124-W225 HydrophobicContact CZ3-CE3 4.14Å; W124-R227 PolarHBondContact O-NH2 2.85Å; W124-L228 HydrophobicContact CB-CD2 3.74Å; W124-L228 HydrophobicContact CD2-CD1 3.64Å; W124-L228 HydrophobicContact CD2-CD2 4.34Å; W124-L228 HydrophobicContact CD2-CG 4.49Å; W124-L228 HydrophobicContact CE3-CD1 4.21Å; W124-L228 HydrophobicContact CG-CD1 3.83Å; W124-L228 HydrophobicContact CG-CD2 3.74Å; W124-L228 HydrophobicContact CG-CG 4.37Å; W124-L228 HydrophobicContact CZ2-CD1 4.11Å; W124-Y236 AromaticContact CD1-CE2 3.95Å; W124-Y236 AromaticContact CD1-CZ 3.94Å; W124-Y236 AromaticContact CE2-CD1 3.95Å; W124-Y236 AromaticContact CZ2-CD1 3.7Å; W124-Y236 HydrophobicContact CZ2-CD1 3.7Å; W124-Y236 HydrophobicContact CZ2-CE1 4.2Å; W124-Y236 AromaticContact CZ2-CG 3.89Å; W124-Y236 HydrophobicContact CZ2-CG 3.89Å; W124-Y236 AromaticContact NE1-CD1 3.66Å; W124-Y236 AromaticContact NE1-CD2 3.45Å; W124-Y236 AromaticContact NE1-CE1 3.5Å; W124-Y236 AromaticContact NE1-CE2 3.3Å; W124-Y236 VanDerWaalsContact NE1-CE2 3.3Å; W124-Y236 AromaticContact NE1-CG 3.62Å; W124-Y236 AromaticContact NE1-CZ 3.32Å; W124-Y236 VanDerWaalsContact NE1-CZ 3.32Å; W124-F240 AromaticContact CH2-CD1 3.89Å; W124-F240 HydrophobicContact CH2-CD1 3.89Å; W124-F240 AromaticContact CH2-CE1 3.77Å; W124-F240 HydrophobicContact CH2-CE1 3.77Å; W124-F240 AromaticContact CZ2-CD1 3.75Å; W124-F240 HydrophobicContact CZ2-CD1 3.75Å; W124-F240 AromaticContact CZ2-CE1 3.59Å; W124-F240 HydrophobicContact CZ2-CE1 3.59Å
125L95.3Very high94.3Very high20 Ų2046.2 Ų46.211%0.10526%0.257CS..  trans-110.1145.1-169-62.6164.6000111.1P118 V122 E123 D129 Y130 L224P118-L125 HydrophobicContact CB-CD2 4.04Å; P118-L125 HydrophobicContact CG-CD2 4.26Å; V122-L125 WeakPolarHBondContact O-CB 3.34Å; V122-L125 PolarHBondContact O-N 3.16Å; V122-L125 VanDerWaalsContact O-N 3.12Å; E123-L125 VanDerWaalsContact C-N 3.28Å; L125-D129 WeakPolarHBondContact CA-OD2 3.43Å; L125-D129 HydrophobicContact CD2-CB 4.19Å; L125-Y130 HydrophobicContact CB-CE2 4.03Å; L125-Y130 HydrophobicContact CD1-CE2 4.5Å; L125-L224 HydrophobicContact CD2-CD1 4Å; L125-L224 HydrophobicContact CD2-CD2 3.95Å
126T95.8Very high94.5Very high66 Ų6644.9 Ų44.941%0.40525%0.249SC..  trans-103.4164.6177.474.20000110.5D128 D129 Y130T126-D128 PolarHBondContact O-N 2.89Å; T126-D128 PolarHBondContact OG1-N 3.4Å; T126-D129 PolarHBondContact N-OD2 2.93Å; T126-D129 WeakPolarHBondContact O-CB 3.25Å; T126-D129 PolarHBondContact O-N 3.04Å; T126-D129 VanDerWaalsContact O-N 3.13Å; T126-D129 PolarHBondContact OG1-N 2.97Å; T126-D129 PolarHBondContact OG1-OD2 3.07Å; T126-Y130 WeakPolarHBondContact O-CD2 3.19Å; T126-Y130 PolarHBondContact O-N 3.37Å
127I96.4Very high94.8Very high114 Ų11444.2 Ų44.259%0.58524%0.244SC*.Hα-helixtrans-58.8-29.7174.8-169.659.2000112.8Y130 K131I127-Y130 WeakPolarHBondContact O-CB 3.22Å; I127-Y130 PolarHBondContact O-N 2.78Å; I127-K131 WeakPolarHBondContact O-CG 3.44Å; I127-K131 PolarHBondContact O-N 3.09Å
128D97.1Very high95.1Very high94 Ų9444.1 Ų44.150%0.50324%0.243SC..Hα-helixtrans-74.2-29-179.9-64.7-32.1000112.1T126 Y130 K131 S132T126-D128 PolarHBondContact O-N 2.89Å; T126-D128 PolarHBondContact OG1-N 3.4Å; D128-Y130 VanDerWaalsContact C-N 3.29Å; D128-Y130 PolarHBondContact O-N 2.79Å; D128-K131 PolarHBondContact O-N 3.48Å; D128-K131 WeakPolarHBondContact OD1-CD 3.43Å; D128-K131 IonicContact OD1-NZ 3.24Å; D128-K131 PolarHBondContact OD1-NZ 3.47Å; D128-S132 WeakPolarHBondContact O-CB 3.16Å; D128-S132 PolarHBondContact O-N 3.34Å; D128-S132 PolarHBondContact O-OG 3.23Å; D128-S132 VanDerWaalsContact O-OG 3.09Å
129D96.2Very high95.5Very high18 Ų1847.8 Ų47.810%0.09626%0.262CS..Hα-helixtrans-61.7-39.8167.8-62-43.5000111.2P118 L125 T126 S132 M133 R227P118-D129 HydrophobicContact CG-CB 3.52Å; L125-D129 WeakPolarHBondContact CA-OD2 3.43Å; L125-D129 HydrophobicContact CD2-CB 4.19Å; T126-D129 PolarHBondContact N-OD2 2.93Å; T126-D129 WeakPolarHBondContact O-CB 3.25Å; T126-D129 PolarHBondContact O-N 3.04Å; T126-D129 VanDerWaalsContact O-N 3.13Å; T126-D129 PolarHBondContact OG1-N 2.97Å; T126-D129 PolarHBondContact OG1-OD2 3.07Å; D129-S132 PolarHBondContact O-OG 3.27Å; D129-M133 PolarHBondContact O-N 3.21Å; D129-R227 IonicContact OD1-CZ 3.5Å; D129-R227 IonicContact OD1-NH1 2.75Å; D129-R227 PolarHBondContact OD1-NH1 2.91Å; D129-R227 IonicContact OD1-NH2 3.39Å; D129-R227 IonicContact OD2-CZ 3.7Å; D129-R227 IonicContact OD2-NH1 3.79Å; D129-R227 PolarHBondContact OD2-NH1 3.42Å; D129-R227 IonicContact OD2-NH2 2.95Å; D129-R227 PolarHBondContact OD2-NH2 3.49Å
130Y97Very high96.1Very high44 Ų4446.9 Ų46.917%0.17326%0.255CS..Hα-helixtrans-67-48.6173.7-76.1-101.5000111.8L125 T126 I127 D128 S132 M133 L134 G174 P175 V178L125-Y130 HydrophobicContact CB-CE2 4.03Å; L125-Y130 HydrophobicContact CD1-CE2 4.5Å; T126-Y130 WeakPolarHBondContact O-CD2 3.19Å; T126-Y130 PolarHBondContact O-N 3.37Å; I127-Y130 WeakPolarHBondContact O-CB 3.22Å; I127-Y130 PolarHBondContact O-N 2.78Å; D128-Y130 VanDerWaalsContact C-N 3.29Å; D128-Y130 PolarHBondContact O-N 2.79Å; Y130-S132 VanDerWaalsContact C-N 3.32Å; Y130-S132 PolarHBondContact O-N 3.01Å; Y130-M133 PolarHBondContact O-N 2.93Å; Y130-L134 VanDerWaalsContact O-CB 3.24Å; Y130-L134 WeakPolarHBondContact O-CB 3.38Å; Y130-L134 WeakPolarHBondContact O-CG 3.27Å; Y130-L134 PolarHBondContact O-N 3.32Å; Y130-G174 WeakPolarHBondContact OH-CA 3.24Å; Y130-P175 HydrophobicContact CD1-CB 3.6Å; Y130-P175 HydrophobicContact CD2-CB 4.49Å; Y130-P175 HydrophobicContact CE1-CB 4.01Å; Y130-P175 HydrophobicContact CG-CB 3.87Å; Y130-V178 HydrophobicContact CE1-CG2 4.03Å
131K97.8Very high96.5Very high118 Ų11846.9 Ų46.951%0.51325%0.254SS..Hα-helixtrans-56.9-45.7179.3-71.2175.5-167.9155.10111.8I127 D128 L134 A135I127-K131 WeakPolarHBondContact O-CG 3.44Å; I127-K131 PolarHBondContact O-N 3.09Å; D128-K131 PolarHBondContact O-N 3.48Å; D128-K131 WeakPolarHBondContact OD1-CD 3.43Å; D128-K131 IonicContact OD1-NZ 3.24Å; D128-K131 PolarHBondContact OD1-NZ 3.47Å; K131-L134 PolarHBondContact O-N 3.1Å; K131-A135 VanDerWaalsContact O-CB 3.26Å; K131-A135 WeakPolarHBondContact O-CB 3.4Å; K131-A135 PolarHBondContact O-N 3.37Å
132S96.6Very high96.9Very high63 Ų6348 Ų4844%0.44126%0.258SS..Hα-helixtrans-63-45.2-177.660.80000112.5D128 D129 Y130D128-S132 WeakPolarHBondContact O-CB 3.16Å; D128-S132 PolarHBondContact O-N 3.34Å; D128-S132 PolarHBondContact O-OG 3.23Å; D128-S132 VanDerWaalsContact O-OG 3.09Å; D129-S132 PolarHBondContact O-OG 3.27Å; Y130-S132 VanDerWaalsContact C-N 3.32Å; Y130-S132 PolarHBondContact O-N 3.01Å
133M96.5Very high97.2Very high0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-71.7-41.3177.5-176171.9-60.300112.5V115 S116 T117 P118 D129 Y130 A135 V136 N137 P175 Y176V115-M133 HydrophobicContact CG2-CG 4.14Å; S116-M133 WeakPolarHBondContact O-CE 3.28Å; T117-M133 VanDerWaalsContact C-CE 3.42Å; T117-M133 WeakPolarHBondContact O-CE 3.2Å; P118-M133 WeakPolarHBondContact O-CE 3.41Å; D129-M133 PolarHBondContact O-N 3.21Å; Y130-M133 PolarHBondContact O-N 2.93Å; M133-A135 VanDerWaalsContact C-N 3.27Å; M133-A135 PolarHBondContact O-N 2.87Å; M133-V136 PolarHBondContact O-N 3.16Å; M133-N137 HydrophobicContact CG-CB 4.5Å; M133-N137 WeakPolarHBondContact O-CB 3.47Å; M133-N137 PolarHBondContact O-N 3.48Å; M133-P175 HydrophobicContact CB-CB 3.91Å; M133-P175 HydrophobicContact CB-CG 4.03Å; M133-P175 HydrophobicContact CE-CG 3.75Å; M133-P175 HydrophobicContact CG-CB 4.26Å; M133-P175 HydrophobicContact CG-CG 4.44Å; M133-P175 HydrophobicContact SD-CB 3.79Å; M133-P175 HydrophobicContact SD-CG 3.67Å; M133-Y176 WeakPolarHBondContact SD-CA 3.43Å; M133-Y176 HydrophobicContact SD-CD2 4.07Å; M133-Y176 HydrophobicContact SD-CG 4.38Å; M133-Y176 PolarHBondContact SD-N 3.41Å
134L98.3Very high97.5Very high37 Ų3740.4 Ų40.419%0.19422%0.218CC..Hα-helixtrans-64.6-33.1177.3-68.9172.7000111.8Y130 K131 V136 L138 N139 V178Y130-L134 VanDerWaalsContact O-CB 3.24Å; Y130-L134 WeakPolarHBondContact O-CB 3.38Å; Y130-L134 WeakPolarHBondContact O-CG 3.27Å; Y130-L134 PolarHBondContact O-N 3.32Å; K131-L134 PolarHBondContact O-N 3.1Å; L134-V136 VanDerWaalsContact C-N 3.25Å; L134-V136 PolarHBondContact O-N 3.35Å; L134-L138 HydrophobicContact CD2-CB 4.11Å; L134-L138 HydrophobicContact CD2-CD2 3.96Å; L134-L138 PolarHBondContact O-N 3.19Å; L134-N139 PolarHBondContact O-N 2.97Å; L134-V178 HydrophobicContact CD2-CG1 4.31Å
135A98.4Very high97.7Very high26 Ų2640.2 Ų40.222%0.21522%0.217CC..Iπ-helixtrans-56.2-40.717500000111.8K131 M133 G140K131-A135 VanDerWaalsContact O-CB 3.26Å; K131-A135 WeakPolarHBondContact O-CB 3.4Å; K131-A135 PolarHBondContact O-N 3.37Å; M133-A135 VanDerWaalsContact C-N 3.27Å; M133-A135 PolarHBondContact O-N 2.87Å; A135-G140 PolarHBondContact O-N 2.81Å
136V98.3Very high97.9Very high27 Ų2743.7 Ų43.716%0.16424%0.235CC..Iπ-helixtrans-84.2-56.7178.3-179.70000111.5V84 V115 M133 L134 L138V84-V136 HydrophobicContact CG2-CB 4.44Å; V84-V136 HydrophobicContact CG2-CG1 3.78Å; V115-V136 HydrophobicContact CG1-CG1 4.4Å; V115-V136 HydrophobicContact CG2-CB 4.24Å; V115-V136 HydrophobicContact CG2-CG1 4.4Å; V115-V136 HydrophobicContact CG2-CG2 4.5Å; M133-V136 PolarHBondContact O-N 3.16Å; L134-V136 VanDerWaalsContact C-N 3.25Å; L134-V136 PolarHBondContact O-N 3.35Å; V136-L138 PolarHBondContact O-N 2.95Å
137N98.3Very high98Very high0 Ų042.2 Ų42.20%023%0.228CC..Iπ-helixtrans-79.4-21-164.7-729000114.1G114 V115 M133 V141 S179 V183G114-N137 WeakPolarHBondContact CA-OD1 3.4Å; V115-N137 PolarHBondContact N-OD1 3.21Å; V115-N137 PolarHBondContact O-ND2 3.39Å; V115-N137 PolarHBondContact O-OD1 3.05Å; M133-N137 HydrophobicContact CG-CB 4.5Å; M133-N137 WeakPolarHBondContact O-CB 3.47Å; M133-N137 PolarHBondContact O-N 3.48Å; N137-V141 VanDerWaalsContact O-CG2 3.26Å; N137-V141 WeakPolarHBondContact O-CG2 3.42Å; N137-S179 WeakPolarHBondContact CB-OG 3.45Å; N137-S179 PolarHBondContact ND2-OG 2.57Å; N137-S179 VanDerWaalsContact ND2-OG 3.13Å; N137-V183 WeakPolarHBondContact O-CG2 3.25Å
138L98.6Very high98.1Very high29 Ų2936.8 Ų36.815%0.15220%0.2CC..Iπ-helixtrans-122.7-63.2-177-179.959.4000111.3L134 V136 G140 V141 I142 G182 V183L134-L138 HydrophobicContact CD2-CB 4.11Å; L134-L138 HydrophobicContact CD2-CD2 3.96Å; L134-L138 PolarHBondContact O-N 3.19Å; V136-L138 PolarHBondContact O-N 2.95Å; L138-G140 VanDerWaalsContact C-N 3.31Å; L138-G140 PolarHBondContact O-N 2.68Å; L138-V141 WeakPolarHBondContact O-CB 3.44Å; L138-V141 PolarHBondContact O-N 3.17Å; L138-V141 VanDerWaalsContact O-N 3.11Å; L138-I142 HydrophobicContact CD1-CD1 3.94Å; L138-I142 HydrophobicContact CD1-CG1 4.47Å; L138-I142 HydrophobicContact CG-CD1 4.07Å; L138-I142 WeakPolarHBondContact O-CG1 3.28Å; L138-I142 PolarHBondContact O-N 2.82Å; L138-G182 VanDerWaalsContact CD1-C 3.42Å; L138-V183 HydrophobicContact CD1-CG2 4.23Å
139N98.7Very high98.2Very high91 Ų9133.5 Ų33.549%0.48718%0.182SC..Iπ-helixtrans-62.4-41.6-177.4-63.8-13.1000110.8L134 V141 I142 D143L134-N139 PolarHBondContact O-N 2.97Å; N139-V141 VanDerWaalsContact C-N 3.34Å; N139-V141 PolarHBondContact O-N 2.91Å; N139-I142 PolarHBondContact O-N 3.42Å; N139-D143 WeakPolarHBondContact O-CB 3.47Å; N139-D143 PolarHBondContact O-N 3.4Å
140G98.7Very high98.3Very high2 Ų236.8 Ų36.82%0.02121%0.205CC..Hα-helixtrans-60.5-40174.200000113.3V84 A135 L138 V144V84-G140 WeakPolarHBondContact O-CA 3.4Å; A135-G140 PolarHBondContact O-N 2.81Å; L138-G140 VanDerWaalsContact C-N 3.31Å; L138-G140 PolarHBondContact O-N 2.68Å; G140-V144 WeakPolarHBondContact O-CB 3.44Å; G140-V144 WeakPolarHBondContact O-CG2 3.43Å; G140-V144 PolarHBondContact O-N 3.22Å
141V98.8Very high98.4Very high9 Ų935.5 Ų35.56%0.05520%0.201CC..Hα-helixtrans-62.6-43.8174.4174.20000111N111 N137 L138 N139 T145 V183 F186N111-V141 HydrophobicContact CB-CB 4.42Å; N111-V141 HydrophobicContact CB-CG1 3.84Å; N111-V141 HydrophobicContact CB-CG2 4.17Å; N137-V141 VanDerWaalsContact O-CG2 3.26Å; N137-V141 WeakPolarHBondContact O-CG2 3.42Å; L138-V141 WeakPolarHBondContact O-CB 3.44Å; L138-V141 PolarHBondContact O-N 3.17Å; L138-V141 VanDerWaalsContact O-N 3.11Å; N139-V141 VanDerWaalsContact C-N 3.34Å; N139-V141 PolarHBondContact O-N 2.91Å; V141-T145 VanDerWaalsContact O-CB 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.42Å; V141-T145 PolarHBondContact O-N 3.36Å; V141-T145 PolarHBondContact O-OG1 3.4Å; V141-V183 HydrophobicContact CG2-CG2 4.23Å; V141-F186 HydrophobicContact CG1-CD1 4.08Å; V141-F186 HydrophobicContact CG1-CE1 4.14Å
142I98.8Very high98.4Very high48 Ų4829.9 Ų29.925%0.24618%0.176CC..Hα-helixtrans-64.8-52.9179-65.9166.9000110.2L138 N139 T145 L146 F186L138-I142 HydrophobicContact CD1-CD1 3.94Å; L138-I142 HydrophobicContact CD1-CG1 4.47Å; L138-I142 HydrophobicContact CG-CD1 4.07Å; L138-I142 WeakPolarHBondContact O-CG1 3.28Å; L138-I142 PolarHBondContact O-N 2.82Å; N139-I142 PolarHBondContact O-N 3.42Å; I142-T145 PolarHBondContact O-N 3.4Å; I142-L146 HydrophobicContact CG2-CD1 3.71Å; I142-L146 HydrophobicContact CG2-CG 4.22Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.27Å; I142-F186 HydrophobicContact CB-CE2 4.4Å; I142-F186 HydrophobicContact CB-CZ 4.33Å; I142-F186 HydrophobicContact CD1-CD2 4.45Å; I142-F186 HydrophobicContact CG1-CD1 4.05Å; I142-F186 HydrophobicContact CG1-CD2 3.8Å; I142-F186 HydrophobicContact CG1-CE1 4.15Å; I142-F186 HydrophobicContact CG1-CE2 3.92Å; I142-F186 HydrophobicContact CG1-CG 3.87Å; I142-F186 HydrophobicContact CG1-CZ 4.08Å; I142-F186 HydrophobicContact CG2-CE2 4.19Å; I142-F186 HydrophobicContact CG2-CZ 4.4Å
143D98.8Very high98.5Very high37 Ų3730.8 Ų30.820%0.19817%0.172CC..Hα-helixtrans-62.9-46.8-176.1-165.56.9000111.5S87 V90 N139 T145 L146 S147S87-D143 VanDerWaalsContact CA-OD2 3.25Å; S87-D143 WeakPolarHBondContact CA-OD2 3.3Å; S87-D143 WeakPolarHBondContact CB-OD2 3.47Å; S87-D143 PolarHBondContact OG-OD2 3.34Å; V90-D143 HydrophobicContact CG1-CB 4.46Å; N139-D143 WeakPolarHBondContact O-CB 3.47Å; N139-D143 PolarHBondContact O-N 3.4Å; D143-T145 VanDerWaalsContact C-N 3.34Å; D143-T145 PolarHBondContact O-N 3.27Å; D143-L146 PolarHBondContact O-N 3.43Å; D143-S147 VanDerWaalsContact O-CB 3.26Å; D143-S147 WeakPolarHBondContact O-CB 3.43Å; D143-S147 PolarHBondContact O-N 2.9Å; D143-S147 PolarHBondContact O-OG 3.19Å
144V98.9Very high98.5Very high1 Ų135.5 Ų35.51%0.00619%0.192CC..Hα-helixtrans-55.7-50.7173.5167.20000110.3Y33 T35 V84 V90 V109 N111 G140 L146 S147 V148Y33-V144 HydrophobicContact CD1-CG1 4.44Å; Y33-V144 HydrophobicContact CE1-CG1 3.69Å; T35-V144 HydrophobicContact CG2-CG1 3.96Å; T35-V144 HydrophobicContact CG2-CG2 4.27Å; V84-V144 HydrophobicContact CB-CG2 4.41Å; V84-V144 HydrophobicContact CG1-CG2 3.93Å; V90-V144 HydrophobicContact CG1-CG2 4.06Å; V90-V144 HydrophobicContact CG2-CG2 3.97Å; V109-V144 HydrophobicContact CG2-CG1 3.85Å; N111-V144 WeakPolarHBondContact OD1-CG1 3.26Å; G140-V144 WeakPolarHBondContact O-CB 3.44Å; G140-V144 WeakPolarHBondContact O-CG2 3.43Å; G140-V144 PolarHBondContact O-N 3.22Å; V144-L146 PolarHBondContact O-N 2.89Å; V144-S147 PolarHBondContact O-N 2.82Å; V144-S147 PolarHBondContact O-OG 3.14Å; V144-V148 WeakPolarHBondContact O-CG2 3.36Å; V144-V148 PolarHBondContact O-N 2.96Å
145T98.8Very high98.5Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-60.6-50.4-178.4-58.30000111.6N111 V141 I142 D143 S147 V148 L149 V159 F186 L190N111-T145 PolarHBondContact ND2-OG1 2.96Å; V141-T145 VanDerWaalsContact O-CB 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.42Å; V141-T145 PolarHBondContact O-N 3.36Å; V141-T145 PolarHBondContact O-OG1 3.4Å; I142-T145 PolarHBondContact O-N 3.4Å; D143-T145 VanDerWaalsContact C-N 3.34Å; D143-T145 PolarHBondContact O-N 3.27Å; T145-S147 VanDerWaalsContact C-N 3.34Å; T145-S147 PolarHBondContact O-N 3.18Å; T145-V148 PolarHBondContact O-N 2.95Å; T145-L149 VanDerWaalsContact O-CB 3.32Å; T145-L149 WeakPolarHBondContact O-CB 3.23Å; T145-L149 PolarHBondContact O-N 2.82Å; T145-V159 HydrophobicContact CG2-CG1 3.96Å; T145-V159 HydrophobicContact CG2-CG2 4.15Å; T145-F186 HydrophobicContact CG2-CE1 4.14Å; T145-F186 HydrophobicContact CG2-CZ 3.94Å; T145-L190 HydrophobicContact CG2-CD1 4.15Å; T145-L190 HydrophobicContact CG2-CD2 4.24Å
146L98.6Very high98.5Very high94 Ų9442.4 Ų42.449%0.49222%0.215SC..Hα-helixtrans-63.2-39.6-177.5-68.5179.4000111.9I142 D143 V144 V148 L149I142-L146 HydrophobicContact CG2-CD1 3.71Å; I142-L146 HydrophobicContact CG2-CG 4.22Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.27Å; D143-L146 PolarHBondContact O-N 3.43Å; V144-L146 PolarHBondContact O-N 2.89Å; L146-V148 VanDerWaalsContact C-N 3.29Å; L146-V148 PolarHBondContact O-N 3.32Å; L146-L149 HydrophobicContact CD2-CD2 4.44Å; L146-L149 PolarHBondContact O-N 3Å
147S98.7Very high98.5Very high35 Ų3541.1 Ų41.125%0.24521%0.207CC..Hα-helixtrans-64.3-30.1-178.370.60000113.8V90 D143 V144 T145V90-S147 WeakPolarHBondContact CG1-OG 3.38Å; D143-S147 VanDerWaalsContact O-CB 3.26Å; D143-S147 WeakPolarHBondContact O-CB 3.43Å; D143-S147 PolarHBondContact O-N 2.9Å; D143-S147 PolarHBondContact O-OG 3.19Å; V144-S147 PolarHBondContact O-N 2.82Å; V144-S147 PolarHBondContact O-OG 3.14Å; T145-S147 VanDerWaalsContact C-N 3.34Å; T145-S147 PolarHBondContact O-N 3.18Å
148V98.7Very high98.5Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-108.2-3.7178.8-58.40000114Y33 A94 I97 L106 V109 V144 T145 L146 P150 L151 I152Y33-V148 HydrophobicContact CD1-CG1 4.33Å; Y33-V148 HydrophobicContact CE1-CG1 4.41Å; A94-V148 HydrophobicContact CB-CG1 4.11Å; I97-V148 HydrophobicContact CD1-CG1 4.19Å; L106-V148 HydrophobicContact CD2-CB 3.75Å; L106-V148 HydrophobicContact CD2-CG1 4.23Å; L106-V148 HydrophobicContact CD2-CG2 3.73Å; V109-V148 HydrophobicContact CB-CG2 4.13Å; V109-V148 HydrophobicContact CG1-CG2 4.37Å; V109-V148 HydrophobicContact CG2-CG2 4.21Å; V144-V148 WeakPolarHBondContact O-CG2 3.36Å; V144-V148 PolarHBondContact O-N 2.96Å; T145-V148 PolarHBondContact O-N 2.95Å; L146-V148 VanDerWaalsContact C-N 3.29Å; L146-V148 PolarHBondContact O-N 3.32Å; V148-P150 VanDerWaalsContact C-CD 3.43Å; V148-P150 VanDerWaalsContact C-N 3.34Å; V148-L151 WeakPolarHBondContact O-CA 3.35Å; V148-L151 WeakPolarHBondContact O-CB 3.33Å; V148-L151 PolarHBondContact O-N 2.85Å; V148-I152 HydrophobicContact CG2-CD1 3.79Å; V148-I152 HydrophobicContact CG2-CG1 4.35Å; V148-I152 PolarHBondContact O-N 3Å; V148-I152 VanDerWaalsContact O-N 3.11Å
149L98.3Very high98.5Very high24 Ų2439.9 Ų39.913%0.12620%0.201CC..Hα-helixtrans-53.9-40.7-176.2-165.761.1000113.8T145 L146 L151 I152 K153 V159 M192T145-L149 VanDerWaalsContact O-CB 3.32Å; T145-L149 WeakPolarHBondContact O-CB 3.23Å; T145-L149 PolarHBondContact O-N 2.82Å; L146-L149 HydrophobicContact CD2-CD2 4.44Å; L146-L149 PolarHBondContact O-N 3Å; L149-L151 VanDerWaalsContact C-N 3.28Å; L149-L151 PolarHBondContact O-N 2.89Å; L149-I152 PolarHBondContact O-N 3.28Å; L149-K153 WeakPolarHBondContact O-CG 3.35Å; L149-K153 PolarHBondContact O-N 3.32Å; L149-V159 HydrophobicContact CD1-CG2 4.39Å; L149-M192 HydrophobicContact CD1-CE 4.19Å; L149-M192 HydrophobicContact CD2-CE 4.09Å; L149-M192 HydrophobicContact CD2-SD 4.44Å; L149-M192 HydrophobicContact CG-CE 4.18Å
150P98.4Very high98.5Very high88 Ų8835.5 Ų35.557%0.57118%0.177SC*.Hα-helixtrans-59.5-36.9175.3-2536000113.4V148 K153 K154V148-P150 VanDerWaalsContact C-CD 3.43Å; V148-P150 VanDerWaalsContact C-N 3.34Å; P150-K153 PolarHBondContact O-N 2.87Å; P150-K154 PolarHBondContact O-N 3.43Å
151L98.7Very high98.5Very high17 Ų1735.4 Ų35.49%0.08918%0.176CC..Hα-helixtrans-70.8-37.1177.9-54.7177.3000111.2I97 K98 V101 L106 V148 L149 K154 A155I97-L151 HydrophobicContact CG2-CD1 3.85Å; K98-L151 HydrophobicContact CB-CD1 4.06Å; K98-L151 HydrophobicContact CB-CD2 4.34Å; K98-L151 HydrophobicContact CG-CD2 4.13Å; V101-L151 HydrophobicContact CG2-CD1 4.19Å; V101-L151 HydrophobicContact CG2-CD2 4.35Å; L106-L151 HydrophobicContact CB-CB 3.7Å; L106-L151 PolarHBondContact N-O 3.27Å; V148-L151 WeakPolarHBondContact O-CA 3.35Å; V148-L151 WeakPolarHBondContact O-CB 3.33Å; V148-L151 PolarHBondContact O-N 2.85Å; L149-L151 VanDerWaalsContact C-N 3.28Å; L149-L151 PolarHBondContact O-N 2.89Å; L151-K154 PolarHBondContact O-N 2.9Å; L151-A155 PolarHBondContact O-N 3.41Å; L151-A155 VanDerWaalsContact O-N 3.15Å
152I98.6Very high98.5Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-66.4-43.3175.7-61.7173.7000110.8L106 V109 V148 L149 K154 A155 R156 G157 V159 V197L106-I152 HydrophobicContact CB-CG1 4.18Å; L106-I152 HydrophobicContact CD2-CD1 4.38Å; L106-I152 HydrophobicContact CD2-CG1 3.99Å; L106-I152 HydrophobicContact CG-CG1 4.28Å; L106-I152 WeakPolarHBondContact O-CA 3.24Å; V109-I152 HydrophobicContact CB-CD1 3.92Å; V109-I152 HydrophobicContact CG1-CD1 3.37Å; V148-I152 HydrophobicContact CG2-CD1 3.79Å; V148-I152 HydrophobicContact CG2-CG1 4.35Å; V148-I152 PolarHBondContact O-N 3Å; V148-I152 VanDerWaalsContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 3.28Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 2.93Å; I152-A155 PolarHBondContact O-N 2.96Å; I152-R156 PolarHBondContact O-N 2.75Å; I152-R156 VanDerWaalsContact O-N 3.07Å; I152-G157 PolarHBondContact O-N 2.8Å; I152-V159 HydrophobicContact CD1-CG2 3.88Å; I152-V159 HydrophobicContact CG2-CG2 4.46Å; I152-V197 HydrophobicContact CG2-CG1 3.69Å; I152-V197 HydrophobicContact CG2-CG2 4.04Å
153K98.1Very high98.3Very high81 Ų8133.4 Ų33.435%0.35217%0.166SC..Hα-helixtrans-58.7-44.6174-71.317773173.80111.2L149 P150 A155 R156 M192 F195 V197L149-K153 WeakPolarHBondContact O-CG 3.35Å; L149-K153 PolarHBondContact O-N 3.32Å; P150-K153 PolarHBondContact O-N 2.87Å; K153-A155 VanDerWaalsContact C-N 3.31Å; K153-A155 PolarHBondContact O-N 3.08Å; K153-R156 PolarHBondContact O-N 3.11Å; K153-R156 VanDerWaalsContact O-N 3.11Å; K153-M192 HydrophobicContact CD-CE 3.56Å; K153-M192 HydrophobicContact CG-CE 3.69Å; K153-F195 VanDerWaalsContact CE-CD1 3.45Å; K153-F195 HydrophobicContact CG-CB 4.44Å; K153-V197 HydrophobicContact CB-CG2 4.48Å; K153-V197 HydrophobicContact CG-CG2 4.08Å
154K97.8Very high98.2Very high99 Ų9932 Ų3243%0.4316%0.159SC..Hα-helixtrans-56.5-44.8177.2-173.1-179.4-72.4-162.50111.6E103 P150 L151 I152 R156E103-K154 WeakPolarHBondContact O-CD 3.23Å; E103-K154 IonicContact OE1-NZ 2.94Å; E103-K154 PolarHBondContact OE1-NZ 3.09Å; E103-K154 IonicContact OE2-NZ 2.75Å; E103-K154 PolarHBondContact OE2-NZ 3.05Å; P150-K154 PolarHBondContact O-N 3.43Å; L151-K154 PolarHBondContact O-N 2.9Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 2.93Å; K154-R156 VanDerWaalsContact C-N 3.3Å; K154-R156 PolarHBondContact O-N 2.89Å
155A97.7Very high98Very high22 Ų2232 Ų3218%0.18216%0.159CC..Hα-helixtrans-80-4.6179.900000114.8L106 L151 I152 K153 G157L106-A155 WeakPolarHBondContact O-CB 3.44Å; L151-A155 PolarHBondContact O-N 3.41Å; L151-A155 VanDerWaalsContact O-N 3.15Å; I152-A155 PolarHBondContact O-N 2.96Å; K153-A155 VanDerWaalsContact C-N 3.31Å; K153-A155 PolarHBondContact O-N 3.08Å; A155-G157 PolarHBondContact O-N 3.01Å
156R97.9Very high97.8Very high187 Ų18732.4 Ų32.471%0.70616%0.161SC*.THydrogen-bonded Turntrans47.946.3-165.1-57.4179-176.4179.50.4110.8I152 K153 K154I152-R156 PolarHBondContact O-N 2.75Å; I152-R156 VanDerWaalsContact O-N 3.07Å; K153-R156 PolarHBondContact O-N 3.11Å; K153-R156 VanDerWaalsContact O-N 3.11Å; K154-R156 VanDerWaalsContact C-N 3.3Å; K154-R156 PolarHBondContact O-N 2.89Å
157G98.2Very high97.6Very high0 Ų028 Ų280%014%0.139CC..  trans-86.3-149-166.700000114W107 I152 A155 V197 K198W107-G157 CarbonylContact O-C 3.54Å; W107-G157 WeakPolarHBondContact O-CA 3.43Å; I152-G157 PolarHBondContact O-N 2.8Å; A155-G157 PolarHBondContact O-N 3.01Å; G157-V197 WeakPolarHBondContact O-CA 3.25Å; G157-K198 PolarHBondContact O-N 3.43Å
158R98.5Very high97.4Very high2 Ų229.4 Ų29.41%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-138.6143.3-170.7-46.8-174.2-170.1-158.2-5.1112.9W107 A108 V109 K198 L200 A270 I271 S273W107-R158 PolarHBondContact O-N 3.24Å; A108-R158 CarbonylContact C-O 3.58Å; A108-R158 VanDerWaalsContact CA-O 3.24Å; A108-R158 WeakPolarHBondContact CA-O 3.1Å; A108-R158 HydrophobicContact CB-CB 4.07Å; V109-R158 PolarHBondContact N-O 3.05Å; R158-K198 CarbonylContact C-O 3.51Å; R158-K198 VanDerWaalsContact CA-O 3.22Å; R158-K198 WeakPolarHBondContact CA-O 3.23Å; R158-K198 HydrophobicContact CG-CB 4.33Å; R158-L200 HydrophobicContact CB-CD1 3.89Å; R158-L200 HydrophobicContact CG-CD1 4.48Å; R158-A270 WeakPolarHBondContact CD-O 3.26Å; R158-A270 PolarHBondContact NH1-O 3.02Å; R158-I271 PolarHBondContact NE-O 2.93Å; R158-I271 PolarHBondContact NH1-O 2.81Å; R158-S273 PolarHBondContact NH1-O 3.47Å; R158-S273 PolarHBondContact NH2-O 3.36Å
159V98.8Very high97.1Very high0 Ų029.9 Ų29.90%014%0.141CC..EExtended strand (participates in β ladder)trans-111.8117.9166-179.60000107.3V109 T145 L149 I152 L190 V197 K198 V199 L200V109-V159 HydrophobicContact CG1-CB 4.23Å; V109-V159 HydrophobicContact CG1-CG1 4.03Å; V109-V159 HydrophobicContact CG1-CG2 4.05Å; T145-V159 HydrophobicContact CG2-CG1 3.96Å; T145-V159 HydrophobicContact CG2-CG2 4.15Å; L149-V159 HydrophobicContact CD1-CG2 4.39Å; I152-V159 HydrophobicContact CD1-CG2 3.88Å; I152-V159 HydrophobicContact CG2-CG2 4.46Å; V159-L190 HydrophobicContact CG1-CD1 4.03Å; V159-V197 HydrophobicContact CG2-CG1 4.39Å; V159-K198 PolarHBondContact N-O 3.44Å; V159-V199 HydrophobicContact CB-CG1 4.48Å; V159-V199 HydrophobicContact CB-CG2 4.44Å; V159-V199 CarbonylContact O-C 3.49Å; V159-V199 WeakPolarHBondContact O-CA 3.15Å; V159-L200 WeakPolarHBondContact O-CD1 3.21Å; V159-L200 PolarHBondContact O-N 3.13Å
160V98.8Very high96.8Very high0 Ų031.6 Ų31.60%016%0.155CC..EExtended strand (participates in β ladder)trans-112.3112.3177.4-175.90000108.3V109 V110 N111 L200 I202 A270 I271V109-V160 PolarHBondContact O-N 3.44Å; V110-V160 CarbonylContact C-O 3.56Å; V110-V160 WeakPolarHBondContact CA-O 3.18Å; V110-V160 HydrophobicContact CB-CB 4.49Å; V110-V160 HydrophobicContact CG1-CB 4.33Å; V110-V160 HydrophobicContact CG1-CG1 4.3Å; V110-V160 HydrophobicContact CG2-CB 4.22Å; N111-V160 PolarHBondContact N-O 2.86Å; V160-L200 CarbonylContact C-O 3.33Å; V160-L200 WeakPolarHBondContact CA-O 3.18Å; V160-L200 HydrophobicContact CG2-CB 4.42Å; V160-L200 HydrophobicContact CG2-CD1 4.1Å; V160-I202 HydrophobicContact CG1-CD1 4.14Å; V160-I202 HydrophobicContact CG1-CG1 3.75Å; V160-A270 HydrophobicContact CG1-CB 4.28Å; V160-A270 HydrophobicContact CG2-CB 4.06Å; V160-I271 HydrophobicContact CG2-CG1 4.21Å
161N98.7Very high96.2Very high0 Ų028.1 Ų28.10%013%0.132CC..EExtended strand (participates in β ladder)trans-101.5126.5178.8-65.4-41.3000110.2N111 A163 V183 N187 L200 C201 I202N111-N161 PolarHBondContact ND2-OD1 3.19Å; N161-A163 PolarHBondContact O-N 3.12Å; N161-V183 HydrophobicContact CB-CG1 3.96Å; N161-N187 PolarHBondContact ND2-OD1 3.28Å; N161-L200 PolarHBondContact N-O 3.48Å; N161-C201 WeakPolarHBondContact O-CA 3.38Å; N161-I202 PolarHBondContact O-N 2.81Å
162V98.3Very high95.2Very high11 Ų1130.8 Ų30.87%0.06714%0.143CC..EExtended strand (participates in β ladder)trans-92.794.8173.7-173.20000109V110 N111 N112 K180 P204 M267V110-V162 HydrophobicContact CG1-CG2 4.38Å; N111-V162 WeakPolarHBondContact O-CB 3.27Å; N111-V162 PolarHBondContact O-N 2.86Å; N112-V162 HydrophobicContact CB-CB 4.49Å; N112-V162 HydrophobicContact CB-CG2 3.89Å; V162-K180 PolarHBondContact O-NZ 3.04Å; V162-P204 HydrophobicContact CG1-CG 4.18Å; V162-M267 HydrophobicContact CG2-SD 3.89Å
163A96.1Very high94.1Very high3 Ų332 Ų323%0.02516%0.156CC..  trans-81.6-132172.300000110.1N161 K180 V183 E184 C201 I202N161-A163 PolarHBondContact O-N 3.12Å; A163-K180 PolarHBondContact O-NZ 3.34Å; A163-V183 HydrophobicContact CB-CG1 4.07Å; A163-E184 HydrophobicContact CB-CG 4.39Å; A163-E184 WeakPolarHBondContact CB-OE1 3.5Å; A163-C201 VanDerWaalsContact CB-SG 3.5Å; A163-I202 CarbonylContact C-O 3.5Å; A163-I202 WeakPolarHBondContact CA-O 3.36Å; A163-I202 PolarHBondContact N-O 3.17Å
164S95.5Very high93.6Very high7 Ų728.4 Ų28.45%0.04914%0.142CC..  trans-170160.3176.3177.80000107.9F166 G167S164-F166 PolarHBondContact O-N 3.39Å; S164-F166 VanDerWaalsContact O-N 3.08Å; S164-F166 PolarHBondContact OG-N 2.82Å; S164-F166 VanDerWaalsContact OG-N 3.11Å; S164-G167 PolarHBondContact O-N 3.29Å
165V94.3Very high93.5Very high1 Ų123.7 Ų23.71%0.00612%0.121CC..G310 helixtrans-52.4-24.8161.4-66.10000112.4G167 R168 I169 P204 A286 W290V165-G167 PolarHBondContact O-N 3.11Å; V165-R168 WeakPolarHBondContact O-CA 3.35Å; V165-R168 WeakPolarHBondContact O-CB 3.22Å; V165-R168 PolarHBondContact O-N 2.84Å; V165-I169 PolarHBondContact O-N 3.48Å; V165-P204 PolarHBondContact N-O 3.34Å; V165-A286 HydrophobicContact CG1-CB 3.35Å; V165-W290 HydrophobicContact CB-CB 3.82Å; V165-W290 HydrophobicContact CB-CG 4.13Å; V165-W290 HydrophobicContact CG1-CB 4.14Å; V165-W290 HydrophobicContact CG2-CB 4.2Å; V165-W290 HydrophobicContact CG2-CG 3.95Å
166F94.2Very high93.4Very high10 Ų1023.9 Ų23.94%0.04412%0.117CC..G310 helixtrans-78.62.8174.2-59-24.9000115.5S164 R168 I169 P171 F172 Y176 Y181 F206 W290S164-F166 PolarHBondContact O-N 3.39Å; S164-F166 VanDerWaalsContact O-N 3.08Å; S164-F166 PolarHBondContact OG-N 2.82Å; S164-F166 VanDerWaalsContact OG-N 3.11Å; F166-R168 VanDerWaalsContact C-N 3.26Å; F166-I169 CarbonylContact C-O 3.47Å; F166-I169 WeakPolarHBondContact CA-O 3.42Å; F166-I169 HydrophobicContact CD1-CG2 4.28Å; F166-P171 HydrophobicContact CD1-CG 3.76Å; F166-P171 HydrophobicContact CE1-CG 3.3Å; F166-P171 HydrophobicContact CE2-CG 4.43Å; F166-P171 HydrophobicContact CZ-CG 3.64Å; F166-F172 AromaticContact CD2-CE1 3.78Å; F166-F172 HydrophobicContact CD2-CE1 3.78Å; F166-F172 AromaticContact CD2-CZ 3.62Å; F166-F172 HydrophobicContact CD2-CZ 3.62Å; F166-F172 HydrophobicContact CE2-CD1 4.45Å; F166-F172 AromaticContact CE2-CE1 3.25Å; F166-F172 HydrophobicContact CE2-CE1 3.25Å; F166-F172 AromaticContact CE2-CZ 3.49Å; F166-F172 HydrophobicContact CE2-CZ 3.49Å; F166-F172 VanDerWaalsContact CE2-CZ 3.49Å; F166-F172 AromaticContact CZ-CE1 3.72Å; F166-F172 HydrophobicContact CZ-CE1 3.72Å; F166-F172 HydrophobicContact CZ-CZ 4.39Å; F166-Y176 HydrophobicContact CB-CD1 4.38Å; F166-Y176 HydrophobicContact CB-CE1 4.19Å; F166-Y176 HydrophobicContact CD2-CD1 4.13Å; F166-Y176 AromaticContact CD2-CE1 3.86Å; F166-Y176 HydrophobicContact CD2-CE1 3.86Å; F166-Y181 VanDerWaalsContact O-CD2 3.23Å; F166-Y181 WeakPolarHBondContact O-CD2 3.25Å; F166-Y181 VanDerWaalsContact O-CE2 3.24Å; F166-Y181 WeakPolarHBondContact O-CE2 3.45Å; F166-F206 HydrophobicContact CE1-CE2 4.18Å; F166-F206 HydrophobicContact CE2-CE1 4.47Å; F166-F206 HydrophobicContact CE2-CE2 4.01Å; F166-F206 AromaticContact CE2-CZ 3.68Å; F166-F206 HydrophobicContact CE2-CZ 3.68Å; F166-F206 HydrophobicContact CZ-CE1 4.48Å; F166-F206 AromaticContact CZ-CE2 3.36Å; F166-F206 HydrophobicContact CZ-CE2 3.36Å; F166-F206 AromaticContact CZ-CZ 3.34Å; F166-F206 HydrophobicContact CZ-CZ 3.34Å; F166-W290 HydrophobicContact CE1-CD2 4.13Å; F166-W290 HydrophobicContact CE1-CE3 4.05Å; F166-W290 HydrophobicContact CE1-CH2 4.29Å; F166-W290 HydrophobicContact CE1-CZ2 4.38Å; F166-W290 HydrophobicContact CE1-CZ3 4.12Å; F166-W290 HydrophobicContact CZ-CZ2 4.46Å
167G94.4Very high93.3Very high1 Ų115.1 Ų15.11%0.019%0.085CC..G310 helixtrans-83.2-2.9158.600000113.2S164 V165 Y181S164-G167 PolarHBondContact O-N 3.29Å; V165-G167 PolarHBondContact O-N 3.11Å; G167-Y181 WeakPolarHBondContact O-CD1 3.48Å; G167-Y181 WeakPolarHBondContact O-CE1 3.24Å
168R94.6Very high93.2Very high65 Ų6518.6 Ų18.625%0.24511%0.106CC..THydrogen-bonded Turntrans-118.4-25-178.4-56.3-64.4-62.4169-0.9113.1V165 F166 Y181 E203 L291 S294 Y295V165-R168 WeakPolarHBondContact O-CA 3.35Å; V165-R168 WeakPolarHBondContact O-CB 3.22Å; V165-R168 PolarHBondContact O-N 2.84Å; F166-R168 VanDerWaalsContact C-N 3.26Å; R168-Y181 PolarHBondContact O-OH 3.07Å; R168-E203 WeakPolarHBondContact CD-OE1 3.43Å; R168-L291 HydrophobicContact CB-CD2 4.23Å; R168-L291 HydrophobicContact CG-CD2 3.89Å; R168-S294 WeakPolarHBondContact O-CB 3.24Å; R168-Y295 PolarHBondContact NH2-OH 2.9Å
169I93.7Very high93.1Very high10 Ų1018.5 Ų18.55%0.05111%0.106CC..  trans-147.9149.5178.3-172.3162.4000109.7V165 F166 P171 Y181 W290 M293 F305V165-I169 PolarHBondContact O-N 3.48Å; F166-I169 CarbonylContact C-O 3.47Å; F166-I169 WeakPolarHBondContact CA-O 3.42Å; F166-I169 HydrophobicContact CD1-CG2 4.28Å; I169-P171 WeakPolarHBondContact O-CD 3.48Å; I169-Y181 WeakPolarHBondContact CA-OH 3.29Å; I169-Y181 PolarHBondContact N-OH 3.12Å; I169-W290 HydrophobicContact CG2-CB 4.31Å; I169-W290 HydrophobicContact CG2-CE3 4Å; I169-M293 HydrophobicContact CD1-CB 3.83Å; I169-M293 HydrophobicContact CD1-CG 3.52Å; I169-M293 HydrophobicContact CD1-SD 3.89Å; I169-F305 HydrophobicContact CD1-CE2 3.86Å; I169-F305 HydrophobicContact CD1-CZ 3.59Å; I169-F305 HydrophobicContact CG1-CE2 4.1Å; I169-F305 HydrophobicContact CG1-CZ 4.04Å
170S92.1Very high93Very high60 Ų6019 Ų1942%0.4211%0.108SC..  trans-121.480.7-177.1-60.30000111F172 C177 Y181S170-F172 PolarHBondContact O-N 3.11Å; S170-C177 WeakPolarHBondContact OG-CB 3.37Å; S170-Y181 VanDerWaalsContact OG-CE2 3.23Å; S170-Y181 WeakPolarHBondContact OG-CE2 3.42Å
171P84.6Confident93Very high14 Ų1423.7 Ų23.79%0.09113%0.126CC..SBendtrans-73.4-13.9-177.229.7-35.3000113.8F166 I169 W290 F305F166-P171 HydrophobicContact CD1-CG 3.76Å; F166-P171 HydrophobicContact CE1-CG 3.3Å; F166-P171 HydrophobicContact CE2-CG 4.43Å; F166-P171 HydrophobicContact CZ-CG 3.64Å; I169-P171 WeakPolarHBondContact O-CD 3.48Å; P171-W290 HydrophobicContact CB-CH2 4.48Å; P171-W290 HydrophobicContact CB-CZ3 4.02Å; P171-W290 HydrophobicContact CG-CH2 4.42Å; P171-W290 HydrophobicContact CG-CZ3 4.02Å; P171-F305 HydrophobicContact CB-CD1 3.81Å; P171-F305 HydrophobicContact CB-CE1 3.4Å; P171-F305 VanDerWaalsContact CB-CE1 3.4Å; P171-F305 HydrophobicContact CB-CE2 4.14Å; P171-F305 HydrophobicContact CB-CG 4.38Å; P171-F305 HydrophobicContact CB-CZ 3.58Å
172F78.3Confident93Very high74 Ų7424.6 Ų24.633%0.32514%0.135SC..SBendtrans-142.3153.9174.153.2-94.9000110.1F166 S170 Y176 C177F166-F172 AromaticContact CD2-CE1 3.78Å; F166-F172 HydrophobicContact CD2-CE1 3.78Å; F166-F172 AromaticContact CD2-CZ 3.62Å; F166-F172 HydrophobicContact CD2-CZ 3.62Å; F166-F172 HydrophobicContact CE2-CD1 4.45Å; F166-F172 AromaticContact CE2-CE1 3.25Å; F166-F172 HydrophobicContact CE2-CE1 3.25Å; F166-F172 AromaticContact CE2-CZ 3.49Å; F166-F172 HydrophobicContact CE2-CZ 3.49Å; F166-F172 VanDerWaalsContact CE2-CZ 3.49Å; F166-F172 AromaticContact CZ-CE1 3.72Å; F166-F172 HydrophobicContact CZ-CE1 3.72Å; F166-F172 HydrophobicContact CZ-CZ 4.39Å; S170-F172 PolarHBondContact O-N 3.11Å; F172-Y176 HydrophobicContact CE2-CD1 4.47Å; F172-Y176 HydrophobicContact CZ-CD1 4.38Å; F172-C177 PolarHBondContact O-SG 3.16Å; F172-C177 VanDerWaalsContact O-SG 3.38Å
173G75.9Confident93Very high26 Ų2624.1 Ų24.127%0.26813%0.133SC..  trans-73.7172.618000000113.7G120G120-G173 CarbonylContact O-C 3.6Å
174G87.9Confident93Very high5 Ų524.3 Ų24.35%0.05213%0.133CC..SBendtrans101.6-177.1173.300000114.8Y130 Y176Y130-G174 WeakPolarHBondContact OH-CA 3.24Å; G174-Y176 VanDerWaalsContact C-N 3.3Å; G174-Y176 PolarHBondContact O-N 2.99Å
175P95.4Very high93.2Very high0 Ų027.4 Ų27.40%016%0.155CC..Hα-helixtrans-73.6-17.8-163.926.8-36.3000114.9P118 Y130 M133 V178 S179P118-P175 WeakPolarHBondContact O-CG 3.49Å; Y130-P175 HydrophobicContact CD1-CB 3.6Å; Y130-P175 HydrophobicContact CD2-CB 4.49Å; Y130-P175 HydrophobicContact CE1-CB 4.01Å; Y130-P175 HydrophobicContact CG-CB 3.87Å; M133-P175 HydrophobicContact CB-CB 3.91Å; M133-P175 HydrophobicContact CB-CG 4.03Å; M133-P175 HydrophobicContact CE-CG 3.75Å; M133-P175 HydrophobicContact CG-CB 4.26Å; M133-P175 HydrophobicContact CG-CG 4.44Å; M133-P175 HydrophobicContact SD-CB 3.79Å; M133-P175 HydrophobicContact SD-CG 3.67Å; P175-V178 PolarHBondContact O-N 3.42Å; P175-S179 WeakPolarHBondContact O-CB 3.43Å; P175-S179 PolarHBondContact O-N 3.03Å
176Y95Very high93.3Very high25 Ų2528.8 Ų28.810%0.09816%0.161CC..Hα-helixtrans-64.8-53.7-174.9-175.2-99.8000111.8V115 M133 F166 F172 G174 V178 S179 K180 V211V115-Y176 WeakPolarHBondContact O-CD2 3.44Å; M133-Y176 WeakPolarHBondContact SD-CA 3.43Å; M133-Y176 HydrophobicContact SD-CD2 4.07Å; M133-Y176 HydrophobicContact SD-CG 4.38Å; M133-Y176 PolarHBondContact SD-N 3.41Å; F166-Y176 HydrophobicContact CB-CD1 4.38Å; F166-Y176 HydrophobicContact CB-CE1 4.19Å; F166-Y176 HydrophobicContact CD2-CD1 4.13Å; F166-Y176 AromaticContact CD2-CE1 3.86Å; F166-Y176 HydrophobicContact CD2-CE1 3.86Å; F172-Y176 HydrophobicContact CE2-CD1 4.47Å; F172-Y176 HydrophobicContact CZ-CD1 4.38Å; G174-Y176 VanDerWaalsContact C-N 3.3Å; G174-Y176 PolarHBondContact O-N 2.99Å; Y176-V178 VanDerWaalsContact C-N 3.34Å; Y176-V178 PolarHBondContact O-N 2.85Å; Y176-S179 PolarHBondContact O-N 3.1Å; Y176-S179 PolarHBondContact O-OG 3.43Å; Y176-K180 HydrophobicContact CD1-CG 4.39Å; Y176-K180 HydrophobicContact CE1-CG 3.96Å; Y176-K180 HydrophobicContact CE2-CG 4.28Å; Y176-K180 WeakPolarHBondContact O-CG 3.37Å; Y176-K180 PolarHBondContact O-N 2.59Å; Y176-K180 WeakPolarHBondContact OH-CE 3.33Å; Y176-V211 HydrophobicContact CE2-CG1 4.28Å
177C95.1Very high93.5Very high4 Ų428.8 Ų28.83%0.02716%0.161CC..Hα-helixtrans-56.2-49.2176.2-660000110.7S170 F172 S179 K180 Y181S170-C177 WeakPolarHBondContact OG-CB 3.37Å; F172-C177 PolarHBondContact O-SG 3.16Å; F172-C177 VanDerWaalsContact O-SG 3.38Å; C177-S179 VanDerWaalsContact C-N 3.29Å; C177-S179 PolarHBondContact O-N 3.14Å; C177-K180 PolarHBondContact O-N 2.93Å; C177-K180 VanDerWaalsContact O-N 3.07Å; C177-Y181 WeakPolarHBondContact O-CD2 3.48Å; C177-Y181 PolarHBondContact O-N 3.22Å
178V96.6Very high93.6Very high73 Ų7332.4 Ų32.444%0.44218%0.18SC..Hα-helixtrans-54.4-46.2177.7179.80000111.4Y130 L134 P175 Y176 K180 G182Y130-V178 HydrophobicContact CE1-CG2 4.03Å; L134-V178 HydrophobicContact CD2-CG1 4.31Å; P175-V178 PolarHBondContact O-N 3.42Å; Y176-V178 VanDerWaalsContact C-N 3.34Å; Y176-V178 PolarHBondContact O-N 2.85Å; V178-K180 PolarHBondContact O-N 3.36Å; V178-G182 PolarHBondContact O-N 3.23Å
179S97.4Very high93.6Very high0 Ų033.2 Ų33.20%020%0.196CC..Hα-helixtrans-62.2-41.5178.677.20000112.7N137 P175 Y176 C177 G182 V183N137-S179 WeakPolarHBondContact CB-OG 3.45Å; N137-S179 PolarHBondContact ND2-OG 2.57Å; N137-S179 VanDerWaalsContact ND2-OG 3.13Å; P175-S179 WeakPolarHBondContact O-CB 3.43Å; P175-S179 PolarHBondContact O-N 3.03Å; Y176-S179 PolarHBondContact O-N 3.1Å; Y176-S179 PolarHBondContact O-OG 3.43Å; C177-S179 VanDerWaalsContact C-N 3.29Å; C177-S179 PolarHBondContact O-N 3.14Å; S179-G182 PolarHBondContact O-N 2.79Å; S179-V183 WeakPolarHBondContact O-CG2 3.49Å; S179-V183 PolarHBondContact O-N 2.75Å
180K96.8Very high93.6Very high11 Ų1133.7 Ų33.75%0.04820%0.199CC..Hα-helixtrans-75.6-34-177.6-65.4-56.9-170.6177.80112.8V162 A163 Y176 C177 V178 G182 V183 E184V162-K180 PolarHBondContact O-NZ 3.04Å; A163-K180 PolarHBondContact O-NZ 3.34Å; Y176-K180 HydrophobicContact CD1-CG 4.39Å; Y176-K180 HydrophobicContact CE1-CG 3.96Å; Y176-K180 HydrophobicContact CE2-CG 4.28Å; Y176-K180 WeakPolarHBondContact O-CG 3.37Å; Y176-K180 PolarHBondContact O-N 2.59Å; Y176-K180 WeakPolarHBondContact OH-CE 3.33Å; C177-K180 PolarHBondContact O-N 2.93Å; C177-K180 VanDerWaalsContact O-N 3.07Å; V178-K180 PolarHBondContact O-N 3.36Å; K180-G182 VanDerWaalsContact C-N 3.33Å; K180-V183 PolarHBondContact O-N 3.19Å; K180-E184 PolarHBondContact O-N 2.65Å; K180-E184 VanDerWaalsContact O-N 3.07Å
181Y97.6Very high93.5Very high97 Ų9741 Ų4138%0.3822%0.217SC..Hα-helixtrans-62.9-40.3166.5-89.7-96.4000111.6F166 G167 R168 I169 S170 C177 V183 E184 S185F166-Y181 VanDerWaalsContact O-CD2 3.23Å; F166-Y181 WeakPolarHBondContact O-CD2 3.25Å; F166-Y181 VanDerWaalsContact O-CE2 3.24Å; F166-Y181 WeakPolarHBondContact O-CE2 3.45Å; G167-Y181 WeakPolarHBondContact O-CD1 3.48Å; G167-Y181 WeakPolarHBondContact O-CE1 3.24Å; R168-Y181 PolarHBondContact O-OH 3.07Å; I169-Y181 WeakPolarHBondContact CA-OH 3.29Å; I169-Y181 PolarHBondContact N-OH 3.12Å; S170-Y181 VanDerWaalsContact OG-CE2 3.23Å; S170-Y181 WeakPolarHBondContact OG-CE2 3.42Å; C177-Y181 WeakPolarHBondContact O-CD2 3.48Å; C177-Y181 PolarHBondContact O-N 3.22Å; Y181-V183 VanDerWaalsContact C-N 3.31Å; Y181-V183 PolarHBondContact O-N 3.07Å; Y181-E184 WeakPolarHBondContact O-CB 3.34Å; Y181-E184 PolarHBondContact O-N 3.04Å; Y181-S185 PolarHBondContact O-N 3.32Å
182G98.3Very high94Very high19 Ų1941.3 Ų41.320%0.19622%0.217CC..Hα-helixtrans-58.7-42.4173.500000112.4L138 V178 S179 K180 S185 F186L138-G182 VanDerWaalsContact CD1-C 3.42Å; V178-G182 PolarHBondContact O-N 3.23Å; S179-G182 PolarHBondContact O-N 2.79Å; K180-G182 VanDerWaalsContact C-N 3.33Å; G182-S185 PolarHBondContact O-N 3.39Å; G182-F186 WeakPolarHBondContact O-CB 3.42Å; G182-F186 PolarHBondContact O-N 3.38Å
183V98.4Very high94.7Very high1 Ų141 Ų411%0.00623%0.229CC..Hα-helixtrans-64.5-41.6176.3172.90000111.9N137 L138 V141 N161 A163 S179 K180 Y181 F186 N187N137-V183 WeakPolarHBondContact O-CG2 3.25Å; L138-V183 HydrophobicContact CD1-CG2 4.23Å; V141-V183 HydrophobicContact CG2-CG2 4.23Å; N161-V183 HydrophobicContact CB-CG1 3.96Å; A163-V183 HydrophobicContact CB-CG1 4.07Å; S179-V183 WeakPolarHBondContact O-CG2 3.49Å; S179-V183 PolarHBondContact O-N 2.75Å; K180-V183 PolarHBondContact O-N 3.19Å; Y181-V183 VanDerWaalsContact C-N 3.31Å; Y181-V183 PolarHBondContact O-N 3.07Å; V183-F186 PolarHBondContact O-N 2.91Å; V183-N187 VanDerWaalsContact O-CB 3.24Å; V183-N187 WeakPolarHBondContact O-CB 3.44Å; V183-N187 PolarHBondContact O-N 3.46Å
184E97.7Very high95.7Very high7 Ų745.4 Ų45.43%0.03325%0.253CS..Hα-helixtrans-57.6-49.7173.4-74.7-71.4137.600111.3A163 K180 Y181 F186 N187 D188 C201 E203 R279A163-E184 HydrophobicContact CB-CG 4.39Å; A163-E184 WeakPolarHBondContact CB-OE1 3.5Å; K180-E184 PolarHBondContact O-N 2.65Å; K180-E184 VanDerWaalsContact O-N 3.07Å; Y181-E184 WeakPolarHBondContact O-CB 3.34Å; Y181-E184 PolarHBondContact O-N 3.04Å; E184-F186 PolarHBondContact O-N 3.43Å; E184-N187 WeakPolarHBondContact O-CB 3.43Å; E184-N187 PolarHBondContact O-N 2.84Å; E184-D188 PolarHBondContact O-N 3.42Å; E184-C201 PolarHBondContact OE1-SG 2.86Å; E184-E203 WeakPolarHBondContact OE1-CG 3.39Å; E184-R279 IonicContact OE2-CZ 3.91Å; E184-R279 IonicContact OE2-NH1 3.32Å; E184-R279 PolarHBondContact OE2-NH1 3.29Å; E184-R279 IonicContact OE2-NH2 3.36Å; E184-R279 PolarHBondContact OE2-NH2 2.75Å
185S98Very high96.1Very high73 Ų7350.2 Ų50.251%0.5127%0.272SS..Hα-helixtrans-62.3-42.9178.9-174.20000112Y181 G182 D188 S189Y181-S185 PolarHBondContact O-N 3.32Å; G182-S185 PolarHBondContact O-N 3.39Å; S185-D188 PolarHBondContact O-N 2.83Å; S185-S189 WeakPolarHBondContact O-CB 3.12Å; S185-S189 PolarHBondContact O-N 2.94Å; S185-S189 PolarHBondContact O-OG 3.02Å
186F98.3Very high96.2Very high30 Ų3051.9 Ų51.913%0.13229%0.289CS..Hα-helixtrans-62.5-43.9175.9175.6-116.9000111.5V141 I142 T145 G182 V183 E184 D188 S189 L190V141-F186 HydrophobicContact CG1-CD1 4.08Å; V141-F186 HydrophobicContact CG1-CE1 4.14Å; I142-F186 HydrophobicContact CB-CE2 4.4Å; I142-F186 HydrophobicContact CB-CZ 4.33Å; I142-F186 HydrophobicContact CD1-CD2 4.45Å; I142-F186 HydrophobicContact CG1-CD1 4.05Å; I142-F186 HydrophobicContact CG1-CD2 3.8Å; I142-F186 HydrophobicContact CG1-CE1 4.15Å; I142-F186 HydrophobicContact CG1-CE2 3.92Å; I142-F186 HydrophobicContact CG1-CG 3.87Å; I142-F186 HydrophobicContact CG1-CZ 4.08Å; I142-F186 HydrophobicContact CG2-CE2 4.19Å; I142-F186 HydrophobicContact CG2-CZ 4.4Å; T145-F186 HydrophobicContact CG2-CE1 4.14Å; T145-F186 HydrophobicContact CG2-CZ 3.94Å; G182-F186 WeakPolarHBondContact O-CB 3.42Å; G182-F186 PolarHBondContact O-N 3.38Å; V183-F186 PolarHBondContact O-N 2.91Å; E184-F186 PolarHBondContact O-N 3.43Å; F186-D188 PolarHBondContact O-N 3.11Å; F186-S189 PolarHBondContact O-N 3.39Å; F186-S189 VanDerWaalsContact O-N 3.16Å; F186-L190 HydrophobicContact CD1-CD1 4.43Å; F186-L190 HydrophobicContact CE1-CD1 3.93Å; F186-L190 HydrophobicContact CE1-CG 4.41Å; F186-L190 HydrophobicContact CE2-CD2 4.02Å; F186-L190 HydrophobicContact CE2-CG 4.2Å; F186-L190 HydrophobicContact CZ-CD1 4.03Å; F186-L190 HydrophobicContact CZ-CD2 3.87Å; F186-L190 HydrophobicContact CZ-CG 4.09Å; F186-L190 PolarHBondContact O-N 3.06Å
187N97.6Very high96.3Very high10 Ų1050.8 Ų50.85%0.05329%0.285CS..Hα-helixtrans-57.6-47.4177.4-175.788.9000111.8N161 V183 E184 S189 L190 V199 L200N161-N187 PolarHBondContact ND2-OD1 3.28Å; V183-N187 VanDerWaalsContact O-CB 3.24Å; V183-N187 WeakPolarHBondContact O-CB 3.44Å; V183-N187 PolarHBondContact O-N 3.46Å; E184-N187 WeakPolarHBondContact O-CB 3.43Å; E184-N187 PolarHBondContact O-N 2.84Å; N187-S189 VanDerWaalsContact C-N 3.28Å; N187-S189 PolarHBondContact O-N 3.38Å; N187-L190 PolarHBondContact O-N 3.01Å; N187-V199 WeakPolarHBondContact O-CG1 3.38Å; N187-V199 VanDerWaalsContact OD1-CG1 3.3Å; N187-V199 WeakPolarHBondContact OD1-CG1 3.41Å; N187-L200 PolarHBondContact OD1-O 3.43Å
188D95.3Very high96.5Very high76 Ų7653.6 Ų53.641%0.40630%0.297SS..Hα-helixtrans-69.3-26.9179.1-70.4-13000112.7E184 S185 F186 R191 R279E184-D188 PolarHBondContact O-N 3.42Å; S185-D188 PolarHBondContact O-N 2.83Å; F186-D188 PolarHBondContact O-N 3.11Å; D188-R191 WeakPolarHBondContact O-CG 3.35Å; D188-R279 IonicContact OD1-CZ 2.84Å; D188-R279 IonicContact OD1-NH2 2.89Å; D188-R279 PolarHBondContact OD1-NH2 3.26Å; D188-R279 IonicContact OD2-NH2 2.8Å; D188-R279 PolarHBondContact OD2-NH2 3.24Å
189S96.1Very high96.6Very high82 Ų8250.9 Ų50.957%0.57328%0.28SS*.Hα-helixtrans-75.8-25.5179.7-61.70000113.5S185 F186 N187 R191S185-S189 WeakPolarHBondContact O-CB 3.12Å; S185-S189 PolarHBondContact O-N 2.94Å; S185-S189 PolarHBondContact O-OG 3.02Å; F186-S189 PolarHBondContact O-N 3.39Å; F186-S189 VanDerWaalsContact O-N 3.16Å; N187-S189 VanDerWaalsContact C-N 3.28Å; N187-S189 PolarHBondContact O-N 3.38Å; S189-R191 VanDerWaalsContact C-N 3.29Å; S189-R191 PolarHBondContact O-N 3.28Å
190L93.9Very high96.6Very high21 Ų2151 Ų5111%0.1128%0.281CS..  trans-61.5-32-174.6-79.4167.9000113.4T145 V159 F186 N187 M192 V199T145-L190 HydrophobicContact CG2-CD1 4.15Å; T145-L190 HydrophobicContact CG2-CD2 4.24Å; V159-L190 HydrophobicContact CG1-CD1 4.03Å; F186-L190 HydrophobicContact CD1-CD1 4.43Å; F186-L190 HydrophobicContact CE1-CD1 3.93Å; F186-L190 HydrophobicContact CE1-CG 4.41Å; F186-L190 HydrophobicContact CE2-CD2 4.02Å; F186-L190 HydrophobicContact CE2-CG 4.2Å; F186-L190 HydrophobicContact CZ-CD1 4.03Å; F186-L190 HydrophobicContact CZ-CD2 3.87Å; F186-L190 HydrophobicContact CZ-CG 4.09Å; F186-L190 PolarHBondContact O-N 3.06Å; N187-L190 PolarHBondContact O-N 3.01Å; L190-M192 HydrophobicContact CB-CG 4.28Å; L190-M192 WeakPolarHBondContact O-CG 3.27Å; L190-M192 PolarHBondContact O-N 3.44Å; L190-V199 HydrophobicContact CB-CG1 4.15Å; L190-V199 HydrophobicContact CB-CG2 3.85Å; L190-V199 HydrophobicContact CD1-CG1 3.82Å; L190-V199 HydrophobicContact CD1-CG2 4.31Å
191R89.3Confident96.7Very high213 Ų21350.4 Ų50.480%0.80428%0.278SS*.  trans31.844.6174.9-60.7-169.1179.4-130.21.2116D188 S189 A193 P194D188-R191 WeakPolarHBondContact O-CG 3.35Å; S189-R191 VanDerWaalsContact C-N 3.29Å; S189-R191 PolarHBondContact O-N 3.28Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.18Å; R191-P194 WeakPolarHBondContact O-CD 3.22Å
192M94.5Very high96.7Very high21 Ų2145.8 Ų45.810%0.10326%0.26CS..  trans-86.98.3-171-64-59.2-75.200115.1L149 K153 L190 P194 F195 V197 V199L149-M192 HydrophobicContact CD1-CE 4.19Å; L149-M192 HydrophobicContact CD2-CE 4.09Å; L149-M192 HydrophobicContact CD2-SD 4.44Å; L149-M192 HydrophobicContact CG-CE 4.18Å; K153-M192 HydrophobicContact CD-CE 3.56Å; K153-M192 HydrophobicContact CG-CE 3.69Å; L190-M192 HydrophobicContact CB-CG 4.28Å; L190-M192 WeakPolarHBondContact O-CG 3.27Å; L190-M192 PolarHBondContact O-N 3.44Å; M192-P194 VanDerWaalsContact C-CD 3.43Å; M192-F195 HydrophobicContact CE-CB 4.49Å; M192-F195 HydrophobicContact CE-CD2 3.53Å; M192-F195 HydrophobicContact CE-CE2 4.07Å; M192-F195 HydrophobicContact CE-CG 4.23Å; M192-F195 PolarHBondContact O-N 3.18Å; M192-F195 HydrophobicContact SD-CD2 4.09Å; M192-F195 HydrophobicContact SD-CE2 4.4Å; M192-V197 CarbonylContact C-O 3.54Å; M192-V197 HydrophobicContact CB-CB 3.7Å; M192-V197 HydrophobicContact CB-CG1 3.95Å; M192-V197 PolarHBondContact O-N 3.07Å; M192-V199 HydrophobicContact CB-CG2 4.28Å; M192-V199 HydrophobicContact CG-CG2 4.46Å
193A93.8Very high96.7Very high68 Ų6845.1 Ų45.156%0.56225%0.252SS*.G310 helixtrans-56.1-37.3-176.700000114.6R191 F195 G196R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.18Å; A193-F195 PolarHBondContact O-N 3.03Å; A193-F195 VanDerWaalsContact O-N 3.15Å; A193-G196 PolarHBondContact O-N 3.28Å
194P96.6Very high96.5Very high118 Ų11845.3 Ų45.377%0.76625%0.253SS*.G310 helixtrans-60-23.2175.4-26.336.7000114.4R191 M192 G196R191-P194 WeakPolarHBondContact O-CD 3.22Å; M192-P194 VanDerWaalsContact C-CD 3.43Å; P194-G196 VanDerWaalsContact C-N 3.32Å
195F96.9Very high96.3Very high106 Ų10645.6 Ų45.647%0.46526%0.258SS..G310 helixtrans-90.56175.1-59.6-72.2000113.1K153 M192 A193 V197K153-F195 VanDerWaalsContact CE-CD1 3.45Å; K153-F195 HydrophobicContact CG-CB 4.44Å; M192-F195 HydrophobicContact CE-CB 4.49Å; M192-F195 HydrophobicContact CE-CD2 3.53Å; M192-F195 HydrophobicContact CE-CE2 4.07Å; M192-F195 HydrophobicContact CE-CG 4.23Å; M192-F195 PolarHBondContact O-N 3.18Å; M192-F195 HydrophobicContact SD-CD2 4.09Å; M192-F195 HydrophobicContact SD-CE2 4.4Å; A193-F195 PolarHBondContact O-N 3.03Å; A193-F195 VanDerWaalsContact O-N 3.15Å; F195-V197 HydrophobicContact CB-CG2 4.36Å; F195-V197 PolarHBondContact O-N 2.87Å
196G96.8Very high95.8Very high34 Ų3443.3 Ų43.335%0.35124%0.239SC..THydrogen-bonded Turntrans738.2-174.800000114.3A193 P194A193-G196 PolarHBondContact O-N 3.28Å; P194-G196 VanDerWaalsContact C-N 3.32Å
197V98.3Very high95.4Very high3 Ų342 Ų422%0.01823%0.233CC..  trans-87.4132.7178.5175.20000109.9I152 K153 G157 V159 M192 F195I152-V197 HydrophobicContact CG2-CG1 3.69Å; I152-V197 HydrophobicContact CG2-CG2 4.04Å; K153-V197 HydrophobicContact CB-CG2 4.48Å; K153-V197 HydrophobicContact CG-CG2 4.08Å; G157-V197 WeakPolarHBondContact O-CA 3.25Å; V159-V197 HydrophobicContact CG2-CG1 4.39Å; M192-V197 CarbonylContact C-O 3.54Å; M192-V197 HydrophobicContact CB-CB 3.7Å; M192-V197 HydrophobicContact CB-CG1 3.95Å; M192-V197 PolarHBondContact O-N 3.07Å; F195-V197 HydrophobicContact CB-CG2 4.36Å; F195-V197 PolarHBondContact O-N 2.87Å
198K98.3Very high94.8Very high63 Ų6347.8 Ų47.827%0.27426%0.258SS..EExtended strand (participates in β ladder)trans-96.4134.2175.8-59.7-179.6-174.6165.40109.9G157 R158 V159 L200 V274 P276G157-K198 PolarHBondContact O-N 3.43Å; R158-K198 CarbonylContact C-O 3.51Å; R158-K198 VanDerWaalsContact CA-O 3.22Å; R158-K198 WeakPolarHBondContact CA-O 3.23Å; R158-K198 HydrophobicContact CG-CB 4.33Å; V159-K198 PolarHBondContact N-O 3.44Å; K198-L200 HydrophobicContact CB-CD1 3.85Å; K198-L200 WeakPolarHBondContact O-CD1 3.39Å; K198-V274 PolarHBondContact NZ-O 2.69Å; K198-P276 HydrophobicContact CD-CG 3.52Å
199V98.4Very high94.3Very high16 Ų1645.2 Ų45.210%0.09725%0.245CC..EExtended strand (participates in β ladder)trans-115.6126.1176.7-176.70000107.7V159 N187 L190 M192V159-V199 HydrophobicContact CB-CG1 4.48Å; V159-V199 HydrophobicContact CB-CG2 4.44Å; V159-V199 CarbonylContact O-C 3.49Å; V159-V199 WeakPolarHBondContact O-CA 3.15Å; N187-V199 WeakPolarHBondContact O-CG1 3.38Å; N187-V199 VanDerWaalsContact OD1-CG1 3.3Å; N187-V199 WeakPolarHBondContact OD1-CG1 3.41Å; L190-V199 HydrophobicContact CB-CG1 4.15Å; L190-V199 HydrophobicContact CB-CG2 3.85Å; L190-V199 HydrophobicContact CD1-CG1 3.82Å; L190-V199 HydrophobicContact CD1-CG2 4.31Å; M192-V199 HydrophobicContact CB-CG2 4.28Å; M192-V199 HydrophobicContact CG-CG2 4.46Å
200L98.4Very high93.5Very high1 Ų144.2 Ų44.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-133.7131.8-167.2-50.393.8000109.8R158 V159 V160 N161 N187 K198 A270 P276 R277 Y278 Y280R158-L200 HydrophobicContact CB-CD1 3.89Å; R158-L200 HydrophobicContact CG-CD1 4.48Å; V159-L200 WeakPolarHBondContact O-CD1 3.21Å; V159-L200 PolarHBondContact O-N 3.13Å; V160-L200 CarbonylContact C-O 3.33Å; V160-L200 WeakPolarHBondContact CA-O 3.18Å; V160-L200 HydrophobicContact CG2-CB 4.42Å; V160-L200 HydrophobicContact CG2-CD1 4.1Å; N161-L200 PolarHBondContact N-O 3.48Å; N187-L200 PolarHBondContact OD1-O 3.43Å; K198-L200 HydrophobicContact CB-CD1 3.85Å; K198-L200 WeakPolarHBondContact O-CD1 3.39Å; L200-A270 HydrophobicContact CB-CB 4.4Å; L200-A270 HydrophobicContact CD2-CB 3.68Å; L200-A270 WeakPolarHBondContact CD2-O 3.45Å; L200-P276 HydrophobicContact CD2-CB 3.43Å; L200-P276 VanDerWaalsContact CD2-CB 3.43Å; L200-P276 HydrophobicContact CD2-CG 3.66Å; L200-R277 VanDerWaalsContact CD2-O 3.3Å; L200-R277 WeakPolarHBondContact CD2-O 3.49Å; L200-Y278 WeakPolarHBondContact CA-O 3.39Å; L200-Y280 HydrophobicContact CD2-CE2 4.16Å
201C98.2Very high92.9Very high0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-105.7135.8174.8-159.90000111.3N161 A163 E184 Y278 R279 Y280N161-C201 WeakPolarHBondContact O-CA 3.38Å; A163-C201 VanDerWaalsContact CB-SG 3.5Å; E184-C201 PolarHBondContact OE1-SG 2.86Å; C201-Y278 PolarHBondContact N-O 3.19Å; C201-R279 HydrophobicContact CB-CG 4.28Å; C201-R279 CarbonylContact O-C 3.52Å; C201-R279 WeakPolarHBondContact O-CA 3.26Å; C201-Y280 PolarHBondContact O-N 2.79Å
202I98.3Very high92.4Very high0 Ų035.6 Ų35.60%021%0.21CC..EExtended strand (participates in β ladder)trans-109.5124.2168.6-44.3-61.7000107.2V160 N161 A163 P204 V263 C266 M267 A270 Y280 P282V160-I202 HydrophobicContact CG1-CD1 4.14Å; V160-I202 HydrophobicContact CG1-CG1 3.75Å; N161-I202 PolarHBondContact O-N 2.81Å; A163-I202 CarbonylContact C-O 3.5Å; A163-I202 WeakPolarHBondContact CA-O 3.36Å; A163-I202 PolarHBondContact N-O 3.17Å; I202-P204 VanDerWaalsContact C-CD 3.46Å; I202-P204 HydrophobicContact CG2-CG 4.02Å; I202-P204 VanDerWaalsContact O-CD 3.28Å; I202-P204 WeakPolarHBondContact O-CD 3.37Å; I202-V263 HydrophobicContact CG2-CG1 4.18Å; I202-C266 HydrophobicContact CD1-CB 4.39Å; I202-M267 HydrophobicContact CD1-CG 4.43Å; I202-M267 HydrophobicContact CG1-CG 4.01Å; I202-A270 HydrophobicContact CD1-CB 4.27Å; I202-Y280 CarbonylContact C-O 3.54Å; I202-Y280 WeakPolarHBondContact CA-O 3.33Å; I202-Y280 HydrophobicContact CD1-CD2 3.44Å; I202-Y280 VanDerWaalsContact CD1-CD2 3.44Å; I202-Y280 HydrophobicContact CD1-CE2 4.16Å; I202-Y280 HydrophobicContact CD1-CG 3.78Å; I202-P282 HydrophobicContact CG2-CG 3.95Å
203E97.2Very high92Very high4 Ų437.7 Ų37.72%0.01922%0.221CC..  trans-117.173.7-178.2-61.8161.7138.300109.7R168 E184 R279 Y280 S281R168-E203 WeakPolarHBondContact CD-OE1 3.43Å; E184-E203 WeakPolarHBondContact OE1-CG 3.39Å; E203-R279 IonicContact OE1-NH1 3.18Å; E203-R279 PolarHBondContact OE1-NH1 3.3Å; E203-Y280 PolarHBondContact N-O 2.62Å; E203-S281 WeakPolarHBondContact O-CA 3.01Å; E203-S281 PolarHBondContact OE2-OG 3.1Å
204P95.5Very high91.5Very high6 Ų635.4 Ų35.44%0.03920%0.2CC..  trans-66145.5179.7-18.131.6000112.4F41 V162 V165 I202 F207 V263 P282F41-P204 HydrophobicContact CE2-CB 4.46Å; F41-P204 HydrophobicContact CE2-CG 4.32Å; V162-P204 HydrophobicContact CG1-CG 4.18Å; V165-P204 PolarHBondContact N-O 3.34Å; I202-P204 VanDerWaalsContact C-CD 3.46Å; I202-P204 HydrophobicContact CG2-CG 4.02Å; I202-P204 VanDerWaalsContact O-CD 3.28Å; I202-P204 WeakPolarHBondContact O-CD 3.37Å; P204-F207 HydrophobicContact CB-CD2 4Å; P204-F207 HydrophobicContact CB-CE2 4.09Å; P204-V263 HydrophobicContact CB-CG2 4.17Å; P204-V263 HydrophobicContact CG-CG1 3.93Å; P204-V263 HydrophobicContact CG-CG2 4.44Å; P204-P282 HydrophobicContact CB-CG 4.16Å; P204-P282 HydrophobicContact CG-CG 4.23Å
205G91.9Very high91Very high12 Ų1234.8 Ų34.812%0.12419%0.194CC..  trans-74.1-150159.700000112.5F207 P282 D285G205-F207 WeakPolarHBondContact O-CD2 3.43Å; G205-P282 PolarHBondContact N-O 3.42Å; G205-D285 VanDerWaalsContact CA-OD2 3.25Å; G205-D285 WeakPolarHBondContact CA-OD2 3.25Å
206F88.3Confident90.6Very high25 Ų2533.1 Ų33.111%0.1119%0.189CC..SBendtrans-83117.7-179.5-78.3-97000112.7F166 F252 F255 D257 D285 W290F166-F206 HydrophobicContact CE1-CE2 4.18Å; F166-F206 HydrophobicContact CE2-CE1 4.47Å; F166-F206 HydrophobicContact CE2-CE2 4.01Å; F166-F206 AromaticContact CE2-CZ 3.68Å; F166-F206 HydrophobicContact CE2-CZ 3.68Å; F166-F206 HydrophobicContact CZ-CE1 4.48Å; F166-F206 AromaticContact CZ-CE2 3.36Å; F166-F206 HydrophobicContact CZ-CE2 3.36Å; F166-F206 AromaticContact CZ-CZ 3.34Å; F166-F206 HydrophobicContact CZ-CZ 3.34Å; F206-F252 HydrophobicContact CD1-CD1 4.01Å; F206-F252 AromaticContact CD1-CE1 3.62Å; F206-F252 HydrophobicContact CD1-CE1 3.62Å; F206-F252 HydrophobicContact CD1-CZ 4.38Å; F206-F252 HydrophobicContact CE1-CD1 4.28Å; F206-F252 AromaticContact CE1-CE1 3.66Å; F206-F252 HydrophobicContact CE1-CE1 3.66Å; F206-F252 AromaticContact CE1-CZ 3.96Å; F206-F252 HydrophobicContact CE1-CZ 3.96Å; F206-F255 HydrophobicContact CB-CB 4.1Å; F206-F255 WeakPolarHBondContact CB-O 3.24Å; F206-F255 HydrophobicContact CD2-CB 4.3Å; F206-F255 HydrophobicContact CG-CB 4.2Å; F206-D257 PolarHBondContact O-N 3.33Å; F206-D285 WeakPolarHBondContact CD2-OD2 3.29Å; F206-D285 PolarHBondContact N-OD2 2.95Å; F206-W290 HydrophobicContact CD2-CZ2 4.22Å; F206-W290 AromaticContact CD2-NE1 3.74Å; F206-W290 AromaticContact CE2-CE2 3.77Å; F206-W290 HydrophobicContact CE2-CH2 4.42Å; F206-W290 AromaticContact CE2-CZ2 3.49Å; F206-W290 HydrophobicContact CE2-CZ2 3.49Å; F206-W290 VanDerWaalsContact CE2-CZ2 3.49Å; F206-W290 AromaticContact CE2-NE1 3.76Å; F206-W290 HydrophobicContact CZ-CZ2 4.36Å
207F89.3Confident90.2Very high3 Ų332.4 Ų32.41%0.01318%0.177CC..BIsolated β-bridgetrans-133.6146.3179.1-75.2-89.3000111.8F41 P204 G205 T209 T212 D257 D259 L260 K262 V263 P282F41-F207 HydrophobicContact CE1-CB 3.91Å; F41-F207 HydrophobicContact CE1-CD1 4.42Å; F41-F207 HydrophobicContact CE1-CG 4.06Å; F41-F207 HydrophobicContact CZ-CB 3.51Å; F41-F207 AromaticContact CZ-CD2 4Å; F41-F207 HydrophobicContact CZ-CD2 4Å; F41-F207 AromaticContact CZ-CG 3.78Å; F41-F207 HydrophobicContact CZ-CG 3.78Å; P204-F207 HydrophobicContact CB-CD2 4Å; P204-F207 HydrophobicContact CB-CE2 4.09Å; G205-F207 WeakPolarHBondContact O-CD2 3.43Å; F207-T209 PolarHBondContact O-N 3.38Å; F207-T209 PolarHBondContact O-OG1 3.34Å; F207-T212 WeakPolarHBondContact O-CG2 3.07Å; F207-T212 PolarHBondContact O-OG1 3.03Å; F207-D257 CarbonylContact C-O 3.47Å; F207-D257 VanDerWaalsContact CA-O 3.31Å; F207-D257 WeakPolarHBondContact CA-O 3.31Å; F207-D257 HydrophobicContact CD1-CB 3.76Å; F207-D257 HydrophobicContact CE1-CB 3.73Å; F207-D257 HydrophobicContact CG-CB 4.42Å; F207-D257 HydrophobicContact CZ-CB 4.37Å; F207-D259 WeakPolarHBondContact CE1-O 3.34Å; F207-L260 HydrophobicContact CB-CD2 3.87Å; F207-L260 HydrophobicContact CD1-CD2 4.18Å; F207-L260 HydrophobicContact CG-CD2 4.45Å; F207-K262 HydrophobicContact CE1-CB 4.01Å; F207-K262 HydrophobicContact CE1-CD 4.23Å; F207-K262 HydrophobicContact CZ-CB 4.13Å; F207-K262 HydrophobicContact CZ-CD 4.5Å; F207-V263 HydrophobicContact CD1-CG2 4.02Å; F207-V263 HydrophobicContact CD2-CG2 3.71Å; F207-V263 HydrophobicContact CE1-CG2 3.81Å; F207-V263 HydrophobicContact CE2-CG2 3.5Å; F207-V263 VanDerWaalsContact CE2-CG2 3.5Å; F207-V263 HydrophobicContact CG-CG2 3.98Å; F207-V263 HydrophobicContact CZ-CG2 3.55Å; F207-P282 WeakPolarHBondContact CE2-O 3.49Å; F207-P282 HydrophobicContact CZ-CB 4.32Å
208K85.4Confident89.8Confident132 Ų13234.3 Ų34.357%0.57419%0.185SC*.SBendtrans-67.190.3-179.5-171179.7178.7-179.10112.5R256 D257 L260K208-R256 HydrophobicContact CB-CG 3.86Å; K208-D257 PolarHBondContact N-O 3.39Å; K208-L260 WeakPolarHBondContact O-CD2 3.13Å
209T84.7Confident89.5Confident22 Ų2239 Ų3914%0.13521%0.206CC..SBendtrans-134.1172.2175.9620000110.8F41 F207 V211 T212 D213 L260F41-T209 HydrophobicContact CD1-CG2 4.24Å; F41-T209 HydrophobicContact CD2-CG2 4.34Å; F41-T209 HydrophobicContact CE1-CG2 3.96Å; F41-T209 HydrophobicContact CE2-CG2 4.07Å; F41-T209 HydrophobicContact CG-CG2 4.43Å; F41-T209 HydrophobicContact CZ-CG2 3.88Å; F207-T209 PolarHBondContact O-N 3.38Å; F207-T209 PolarHBondContact O-OG1 3.34Å; T209-V211 PolarHBondContact O-N 2.94Å; T209-T212 PolarHBondContact N-OG1 3.16Å; T209-T212 CarbonylContact O-C 3.56Å; T209-T212 PolarHBondContact O-N 3.47Å; T209-T212 PolarHBondContact O-OG1 3.46Å; T209-D213 PolarHBondContact O-N 3.25Å; T209-L260 HydrophobicContact CG2-CD1 4.45Å; T209-L260 HydrophobicContact CG2-CD2 3.97Å
210S79Confident89.2Confident61 Ų6141.6 Ų41.643%0.42722%0.217SC..G310 helixtrans-57.6-33.8175.552.50000113T212 D213S210-T212 PolarHBondContact O-N 3.02Å; S210-D213 WeakPolarHBondContact O-CB 3.44Å; S210-D213 PolarHBondContact O-N 2.93Å
211V80.8Confident88.9Confident36 Ų3642.5 Ų42.522%0.21822%0.221CC..G310 helixtrans-62.1-23.5176.3-177.30000112S116 Y176 T209S116-V211 VanDerWaalsContact CB-CG1 3.45Å; S116-V211 WeakPolarHBondContact CB-O 3.45Å; S116-V211 WeakPolarHBondContact OG-CA 3.46Å; S116-V211 WeakPolarHBondContact OG-CG1 3.27Å; S116-V211 PolarHBondContact OG-O 2.8Å; Y176-V211 HydrophobicContact CE2-CG1 4.28Å; T209-V211 PolarHBondContact O-N 2.94Å
212T80.4Confident88.7Confident17 Ų1749.1 Ų49.110%0.10425%0.246CC..G310 helixtrans-112.613.6-179.259.70000112.9F207 T209 S210 T214 F252F207-T212 WeakPolarHBondContact O-CG2 3.07Å; F207-T212 PolarHBondContact O-OG1 3.03Å; T209-T212 PolarHBondContact N-OG1 3.16Å; T209-T212 CarbonylContact O-C 3.56Å; T209-T212 PolarHBondContact O-N 3.47Å; T209-T212 PolarHBondContact O-OG1 3.46Å; S210-T212 PolarHBondContact O-N 3.02Å; T212-T214 PolarHBondContact O-N 2.88Å; T212-F252 VanDerWaalsContact CB-CE1 3.45Å; T212-F252 HydrophobicContact CG2-CE1 3.76Å
213D85.1Confident88.5Confident65 Ų6552.3 Ų52.335%0.34827%0.268SS..  trans-70.6114.7-178.4-170-53.4000109.9T209 S210 V215 I216 L217T209-D213 PolarHBondContact O-N 3.25Å; S210-D213 WeakPolarHBondContact O-CB 3.44Å; S210-D213 PolarHBondContact O-N 2.93Å; D213-V215 VanDerWaalsContact C-N 3.26Å; D213-V215 PolarHBondContact O-N 3.31Å; D213-V215 WeakPolarHBondContact OD1-CA 3.47Å; D213-V215 VanDerWaalsContact OD1-CB 3.31Å; D213-V215 WeakPolarHBondContact OD1-CB 3.34Å; D213-V215 PolarHBondContact OD1-N 2.66Å; D213-I216 HydrophobicContact CB-CB 4.17Å; D213-I216 HydrophobicContact CB-CD1 3.9Å; D213-I216 HydrophobicContact CB-CG1 3.99Å; D213-I216 PolarHBondContact O-N 3.47Å; D213-I216 PolarHBondContact OD1-N 3.02Å; D213-L217 VanDerWaalsContact O-CG 3.28Å; D213-L217 WeakPolarHBondContact O-CG 3.32Å; D213-L217 PolarHBondContact O-N 3.3Å
214T83.8Confident88.4Confident19 Ų1952.3 Ų52.312%0.11727%0.268CS..Hα-helixtrans-67.3-27.8-174.460.30000112.5T212 K218 D249 F252T212-T214 PolarHBondContact O-N 2.88Å; T214-K218 VanDerWaalsContact O-CB 3.24Å; T214-K218 WeakPolarHBondContact O-CB 3.29Å; T214-K218 WeakPolarHBondContact O-CG 3.43Å; T214-K218 PolarHBondContact O-N 3.4Å; T214-D249 WeakPolarHBondContact CB-OD1 3.38Å; T214-D249 PolarHBondContact OG1-OD1 2.99Å; T214-F252 HydrophobicContact CG2-CB 3.52Å; T214-F252 HydrophobicContact CG2-CD2 3.66Å; T214-F252 HydrophobicContact CG2-CG 3.66Å
215V86.5Confident88.4Confident106 Ų10653 Ų5364%0.64227%0.27SS*.Hα-helixtrans-67.4-46.2176.7-178.40000109.7D213 K219D213-V215 VanDerWaalsContact C-N 3.26Å; D213-V215 PolarHBondContact O-N 3.31Å; D213-V215 WeakPolarHBondContact OD1-CA 3.47Å; D213-V215 VanDerWaalsContact OD1-CB 3.31Å; D213-V215 WeakPolarHBondContact OD1-CB 3.34Å; D213-V215 PolarHBondContact OD1-N 2.66Å; V215-K219 WeakPolarHBondContact O-CB 3.44Å; V215-K219 PolarHBondContact O-N 3.07Å
216I87.8Confident88.6Confident70 Ų7057.6 Ų57.636%0.35929%0.292SS..Hα-helixtrans-63.3-48.9177.2-61179.7000110T117 D213 K218 K219 H220T117-I216 HydrophobicContact CG2-CG2 4.24Å; D213-I216 HydrophobicContact CB-CB 4.17Å; D213-I216 HydrophobicContact CB-CD1 3.9Å; D213-I216 HydrophobicContact CB-CG1 3.99Å; D213-I216 PolarHBondContact O-N 3.47Å; D213-I216 PolarHBondContact OD1-N 3.02Å; I216-K218 PolarHBondContact O-N 3.38Å; I216-K219 PolarHBondContact O-N 2.89Å; I216-H220 PolarHBondContact O-CD2 3.49Å; I216-H220 VanDerWaalsContact O-CD2 3.3Å; I216-H220 PolarHBondContact O-N 3.34Å
217L88.7Confident88.9Confident19 Ų1961.6 Ų61.610%0.09931%0.306CS..Hα-helixtrans-61.2-45.6-178.7-69172.8000112.2T117 D213 K219 H220 F221 F252T117-L217 HydrophobicContact CG2-CD2 3.75Å; D213-L217 VanDerWaalsContact O-CG 3.28Å; D213-L217 WeakPolarHBondContact O-CG 3.32Å; D213-L217 PolarHBondContact O-N 3.3Å; L217-K219 PolarHBondContact O-N 3.44Å; L217-H220 PolarHBondContact O-N 2.8Å; L217-F221 WeakPolarHBondContact O-CB 3.31Å; L217-F221 PolarHBondContact O-N 2.88Å; L217-F252 HydrophobicContact CD1-CD2 4.36Å; L217-F252 HydrophobicContact CD1-CE1 4.36Å; L217-F252 HydrophobicContact CD1-CE2 3.41Å; L217-F252 VanDerWaalsContact CD1-CE2 3.41Å; L217-F252 HydrophobicContact CD1-CZ 3.4Å
218K90.5Very high89.2Confident44 Ų4462.1 Ų62.119%0.19131%0.309CS..Hα-helixtrans-62.4-42.5176.9-75.9-179.7174.3-161.70112.6T214 I216 H220 F221 R222 L245 L248 D249T214-K218 VanDerWaalsContact O-CB 3.24Å; T214-K218 WeakPolarHBondContact O-CB 3.29Å; T214-K218 WeakPolarHBondContact O-CG 3.43Å; T214-K218 PolarHBondContact O-N 3.4Å; I216-K218 PolarHBondContact O-N 3.38Å; K218-H220 VanDerWaalsContact C-N 3.34Å; K218-F221 PolarHBondContact O-N 3.13Å; K218-R222 WeakPolarHBondContact O-CG 3.18Å; K218-R222 PolarHBondContact O-N 2.73Å; K218-L245 HydrophobicContact CB-CD2 3.81Å; K218-L245 WeakPolarHBondContact CE-O 3.41Å; K218-L245 HydrophobicContact CG-CD2 3.74Å; K218-L248 HydrophobicContact CG-CD1 4.49Å; K218-D249 WeakPolarHBondContact CE-OD1 3.36Å; K218-D249 WeakPolarHBondContact CE-OD2 3.37Å; K218-D249 IonicContact NZ-OD1 3.37Å; K218-D249 PolarHBondContact NZ-OD1 3.22Å; K218-D249 IonicContact NZ-OD2 2.55Å; K218-D249 PolarHBondContact NZ-OD2 2.77Å
219K92.2Very high89.7Confident160 Ų16059.1 Ų59.170%0.69630%0.303SS*.Hα-helixtrans-60.3-46.1177-177.7-179.2177.2-1780110.8V215 I216 L217 R222 S223V215-K219 WeakPolarHBondContact O-CB 3.44Å; V215-K219 PolarHBondContact O-N 3.07Å; I216-K219 PolarHBondContact O-N 2.89Å; L217-K219 PolarHBondContact O-N 3.44Å; K219-R222 PolarHBondContact O-N 2.77Å; K219-S223 WeakPolarHBondContact O-CB 3.34Å; K219-S223 PolarHBondContact O-N 3.25Å
220H90.8Very high90.2Very high72 Ų7263.6 Ų63.633%0.33332%0.322SS..Hα-helixtrans-65.4-41.6176.3-84.5-81.4000112.3T117 I216 L217 K218 R222 S223 L224T117-H220 HydrophobicContact CG2-CB 3.93Å; T117-H220 VanDerWaalsContact CG2-CD2 3.49Å; T117-H220 WeakPolarHBondContact CG2-CD2 3.36Å; T117-H220 PolarHBondContact OG1-NE2 3.08Å; I216-H220 PolarHBondContact O-CD2 3.49Å; I216-H220 VanDerWaalsContact O-CD2 3.3Å; I216-H220 PolarHBondContact O-N 3.34Å; L217-H220 PolarHBondContact O-N 2.8Å; K218-H220 VanDerWaalsContact C-N 3.34Å; H220-R222 VanDerWaalsContact C-N 3.34Å; H220-R222 PolarHBondContact O-N 2.94Å; H220-S223 CarbonylContact O-C 3.57Å; H220-S223 WeakPolarHBondContact O-CB 3.36Å; H220-S223 PolarHBondContact O-N 2.81Å; H220-S223 VanDerWaalsContact O-N 3.16Å; H220-L224 WeakPolarHBondContact O-CG 3.43Å; H220-L224 PolarHBondContact O-N 3.23Å
221F92.4Very high91Very high20 Ų2065.5 Ų65.59%0.08833%0.328CS..Hα-helixtrans-61.2-41.5178.1-162.3-103000112.2W124 L217 K218 L224 W225 F240 L241 L245W124-F221 HydrophobicContact CE3-CE2 4.39Å; W124-F221 HydrophobicContact CE3-CZ 4.43Å; W124-F221 AromaticContact CH2-CE1 3.91Å; W124-F221 HydrophobicContact CH2-CE1 3.91Å; W124-F221 HydrophobicContact CH2-CE2 4.47Å; W124-F221 AromaticContact CH2-CZ 3.73Å; W124-F221 HydrophobicContact CH2-CZ 3.73Å; W124-F221 HydrophobicContact CZ3-CD1 4.25Å; W124-F221 HydrophobicContact CZ3-CD2 4.33Å; W124-F221 AromaticContact CZ3-CE1 3.74Å; W124-F221 HydrophobicContact CZ3-CE1 3.74Å; W124-F221 AromaticContact CZ3-CE2 3.84Å; W124-F221 HydrophobicContact CZ3-CE2 3.84Å; W124-F221 AromaticContact CZ3-CZ 3.5Å; W124-F221 HydrophobicContact CZ3-CZ 3.5Å; L217-F221 WeakPolarHBondContact O-CB 3.31Å; L217-F221 PolarHBondContact O-N 2.88Å; K218-F221 PolarHBondContact O-N 3.13Å; F221-L224 WeakPolarHBondContact O-CB 3.44Å; F221-L224 PolarHBondContact O-N 3.12Å; F221-W225 PolarHBondContact O-N 3.31Å; F221-F240 HydrophobicContact CZ-CE1 4.32Å; F221-L241 HydrophobicContact CD1-CD1 3.63Å; F221-L241 HydrophobicContact CE1-CD1 3.72Å; F221-L245 HydrophobicContact CB-CD2 4.11Å; F221-L245 HydrophobicContact CD1-CD2 3.81Å; F221-L245 HydrophobicContact CD1-CG 4.11Å; F221-L245 HydrophobicContact CG-CD2 4.37Å
222R94.2Very high91.6Very high139 Ų13964.9 Ų64.953%0.52532%0.323SS..Hα-helixtrans-63.3-45.7171-72.5177.9179.2171.4-2112.1K218 K219 H220 L224 W225 D226 L245K218-R222 WeakPolarHBondContact O-CG 3.18Å; K218-R222 PolarHBondContact O-N 2.73Å; K219-R222 PolarHBondContact O-N 2.77Å; H220-R222 VanDerWaalsContact C-N 3.34Å; H220-R222 PolarHBondContact O-N 2.94Å; R222-L224 PolarHBondContact O-N 3.22Å; R222-W225 WeakPolarHBondContact O-CA 3.11Å; R222-W225 WeakPolarHBondContact O-CB 3.45Å; R222-W225 PolarHBondContact O-N 2.94Å; R222-D226 PolarHBondContact O-N 3.21Å; R222-L245 HydrophobicContact CG-CD1 3.92Å; R222-L245 HydrophobicContact CG-CD2 4.22Å
223S94.6Very high92.3Very high66 Ų6665.9 Ų65.946%0.46233%0.326SS..Hα-helixtrans-60.9-33.2176.6-1790000112.9K219 H220 R227K219-S223 WeakPolarHBondContact O-CB 3.34Å; K219-S223 PolarHBondContact O-N 3.25Å; H220-S223 CarbonylContact O-C 3.57Å; H220-S223 WeakPolarHBondContact O-CB 3.36Å; H220-S223 PolarHBondContact O-N 2.81Å; H220-S223 VanDerWaalsContact O-N 3.16Å; S223-R227 WeakPolarHBondContact O-CG 2.86Å
224L94.4Very high92.8Very high5 Ų566.9 Ų66.93%0.02633%0.331CS..Hα-helixtrans-66.6-45.3172.8-71.4178.6000110.9P118 S119 W124 L125 H220 F221 R222 R227 L228P118-L224 HydrophobicContact CB-CD1 4.29Å; P118-L224 HydrophobicContact CB-CD2 4.02Å; S119-L224 WeakPolarHBondContact O-CD1 3.49Å; W124-L224 HydrophobicContact CE3-CB 4.1Å; L125-L224 HydrophobicContact CD2-CD1 4Å; L125-L224 HydrophobicContact CD2-CD2 3.95Å; H220-L224 WeakPolarHBondContact O-CG 3.43Å; H220-L224 PolarHBondContact O-N 3.23Å; F221-L224 WeakPolarHBondContact O-CB 3.44Å; F221-L224 PolarHBondContact O-N 3.12Å; R222-L224 PolarHBondContact O-N 3.22Å; L224-R227 WeakPolarHBondContact O-CG 3.46Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å
225W95.4Very high93.3Very high20 Ų2069.5 Ų69.58%0.07635%0.345CS..Hα-helixtrans-59.3-47.3175.3176.8-94.7000112.4W124 F221 R222 R227 L228 K233 G237 Y238 L241W124-W225 AromaticContact CH2-CE3 3.45Å; W124-W225 HydrophobicContact CH2-CE3 3.45Å; W124-W225 VanDerWaalsContact CH2-CE3 3.45Å; W124-W225 AromaticContact CH2-CZ3 3.99Å; W124-W225 HydrophobicContact CH2-CZ3 3.99Å; W124-W225 AromaticContact CZ2-CE3 3.59Å; W124-W225 HydrophobicContact CZ2-CE3 3.59Å; W124-W225 AromaticContact CZ2-CZ3 3.75Å; W124-W225 HydrophobicContact CZ2-CZ3 3.75Å; W124-W225 HydrophobicContact CZ3-CB 4.3Å; W124-W225 HydrophobicContact CZ3-CE3 4.14Å; F221-W225 PolarHBondContact O-N 3.31Å; R222-W225 WeakPolarHBondContact O-CA 3.11Å; R222-W225 WeakPolarHBondContact O-CB 3.45Å; R222-W225 PolarHBondContact O-N 2.94Å; W225-R227 VanDerWaalsContact C-N 3.26Å; W225-R227 PolarHBondContact O-N 3.43Å; W225-L228 HydrophobicContact CD2-CD1 4.42Å; W225-L228 HydrophobicContact CE3-CD1 3.79Å; W225-L228 HydrophobicContact CZ3-CD1 4.31Å; W225-L228 WeakPolarHBondContact O-CB 3.45Å; W225-L228 WeakPolarHBondContact O-CG 3.45Å; W225-L228 PolarHBondContact O-N 3.42Å; W225-K233 HydrophobicContact CD2-CG 4.35Å; W225-K233 HydrophobicContact CH2-CB 3.99Å; W225-K233 HydrophobicContact CH2-CG 4.15Å; W225-K233 WeakPolarHBondContact CH2-O 3.26Å; W225-K233 HydrophobicContact CZ2-CB 3.88Å; W225-K233 HydrophobicContact CZ2-CD 4.48Å; W225-K233 HydrophobicContact CZ2-CG 3.86Å; W225-K233 HydrophobicContact CZ3-CG 4.5Å; W225-K233 WeakPolarHBondContact O-CE 3.38Å; W225-G237 WeakPolarHBondContact CH2-O 3.43Å; W225-Y238 HydrophobicContact CZ2-CD2 4.49Å; W225-L241 HydrophobicContact CB-CD1 3.94Å; W225-L241 HydrophobicContact CB-CD2 4.23Å; W225-L241 HydrophobicContact CD2-CB 4.19Å; W225-L241 HydrophobicContact CD2-CD1 4.38Å; W225-L241 HydrophobicContact CD2-CD2 3.86Å; W225-L241 HydrophobicContact CD2-CG 4.36Å; W225-L241 HydrophobicContact CE3-CB 4.19Å; W225-L241 HydrophobicContact CG-CD1 4.12Å; W225-L241 HydrophobicContact CG-CD2 3.63Å; W225-L241 HydrophobicContact CG-CG 4.35Å; W225-L241 HydrophobicContact CZ3-CB 4.4Å
226D95.8Very high93.7Very high109 Ų10965.9 Ų65.958%0.58332%0.319SS*.Hα-helixtrans-60.4-37.1-173.3-67-26000112.2R222 L228 K233R222-D226 PolarHBondContact O-N 3.21Å; D226-L228 VanDerWaalsContact C-N 3.33Å; D226-L228 PolarHBondContact O-N 3.46Å; D226-K233 PolarHBondContact O-NZ 2.99Å
227R95.5Very high94Very high109 Ų10963 Ų6341%0.41131%0.307SS..THydrogen-bonded Turntrans-81-3.9178.170.4175.5-165.3177.49.1114.6W124 D129 S223 L224 W225W124-R227 PolarHBondContact O-NH2 2.85Å; D129-R227 IonicContact OD1-CZ 3.5Å; D129-R227 IonicContact OD1-NH1 2.75Å; D129-R227 PolarHBondContact OD1-NH1 2.91Å; D129-R227 IonicContact OD1-NH2 3.39Å; D129-R227 IonicContact OD2-CZ 3.7Å; D129-R227 IonicContact OD2-NH1 3.79Å; D129-R227 PolarHBondContact OD2-NH1 3.42Å; D129-R227 IonicContact OD2-NH2 2.95Å; D129-R227 PolarHBondContact OD2-NH2 3.49Å; S223-R227 WeakPolarHBondContact O-CG 2.86Å; L224-R227 WeakPolarHBondContact O-CG 3.46Å; W225-R227 VanDerWaalsContact C-N 3.26Å; W225-R227 PolarHBondContact O-N 3.43Å
228L95.9Very high94.2Very high13 Ų1368.7 Ų68.77%0.06833%0.328CS..SBendtrans-68.6142.9179-61.9177.5000111.4W124 L224 W225 D226 L232 K233W124-L228 HydrophobicContact CB-CD2 3.74Å; W124-L228 HydrophobicContact CD2-CD1 3.64Å; W124-L228 HydrophobicContact CD2-CD2 4.34Å; W124-L228 HydrophobicContact CD2-CG 4.49Å; W124-L228 HydrophobicContact CE3-CD1 4.21Å; W124-L228 HydrophobicContact CG-CD1 3.83Å; W124-L228 HydrophobicContact CG-CD2 3.74Å; W124-L228 HydrophobicContact CG-CG 4.37Å; W124-L228 HydrophobicContact CZ2-CD1 4.11Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; W225-L228 HydrophobicContact CD2-CD1 4.42Å; W225-L228 HydrophobicContact CE3-CD1 3.79Å; W225-L228 HydrophobicContact CZ3-CD1 4.31Å; W225-L228 WeakPolarHBondContact O-CB 3.45Å; W225-L228 WeakPolarHBondContact O-CG 3.45Å; W225-L228 PolarHBondContact O-N 3.42Å; D226-L228 VanDerWaalsContact C-N 3.33Å; D226-L228 PolarHBondContact O-N 3.46Å; L228-L232 HydrophobicContact CB-CB 4.49Å; L228-K233 HydrophobicContact CB-CD 4.5Å; L228-K233 HydrophobicContact CB-CG 3.9Å; L228-K233 HydrophobicContact CD1-CG 4.45Å; L228-K233 VanDerWaalsContact O-CE 3.22Å; L228-K233 WeakPolarHBondContact O-CE 3.42Å; L228-K233 PolarHBondContact O-NZ 2.88Å; L228-K233 VanDerWaalsContact O-NZ 3.13Å
229P95.8Very high94.2Very high70 Ų7071.4 Ų71.446%0.45535%0.348SS..  trans-49.9151.3159.3-27.937.2000112.7D231 L232 K233P229-D231 WeakPolarHBondContact CB-OD1 3.16Å; P229-L232 HydrophobicContact CG-CD1 4.47Å; P229-L232 PolarHBondContact O-N 3.37Å; P229-K233 PolarHBondContact O-N 3.01Å; P229-K233 VanDerWaalsContact O-N 3.13Å
230Q95.1Very high94.3Very high116 Ų11664.6 Ų64.654%0.54232%0.319SS..Hα-helixtrans-68.3-37.5-173.8-174.558.244.600112.7L232 K233 D234Q230-L232 VanDerWaalsContact C-N 3.35Å; Q230-L232 PolarHBondContact O-N 2.89Å; Q230-K233 WeakPolarHBondContact O-CB 3.24Å; Q230-K233 PolarHBondContact O-N 3.17Å; Q230-K233 VanDerWaalsContact O-N 3.11Å; Q230-D234 PolarHBondContact NE2-OD1 3.47Å; Q230-D234 PolarHBondContact O-N 3.27Å
231D95.1Very high94.3Very high101 Ų10161.5 Ų61.554%0.5431%0.305SS..Hα-helixtrans-54.7-47.7172.854-37.2000111.6P229 K233 D234 D235P229-D231 WeakPolarHBondContact CB-OD1 3.16Å; D231-K233 PolarHBondContact O-N 3.14Å; D231-D234 WeakPolarHBondContact O-CB 3.32Å; D231-D234 PolarHBondContact O-N 3.18Å; D231-D234 VanDerWaalsContact O-N 3.14Å; D231-D235 PolarHBondContact O-N 2.83Å
232L94.7Very high94.3Very high22 Ų2264.8 Ų64.812%0.11532%0.32CS..Hα-helixtrans-66.1-35.9175.2-71.1-177.8000112.7E123 L228 P229 Q230 D234 D235 Y236E123-L232 VanDerWaalsContact CD-CD2 3.4Å; E123-L232 HydrophobicContact CG-CD1 3.99Å; E123-L232 HydrophobicContact CG-CD2 3.81Å; L228-L232 HydrophobicContact CB-CB 4.49Å; P229-L232 HydrophobicContact CG-CD1 4.47Å; P229-L232 PolarHBondContact O-N 3.37Å; Q230-L232 VanDerWaalsContact C-N 3.35Å; Q230-L232 PolarHBondContact O-N 2.89Å; L232-D234 VanDerWaalsContact C-N 3.26Å; L232-D234 PolarHBondContact O-N 3.37Å; L232-D235 PolarHBondContact O-N 3.4Å; L232-Y236 VanDerWaalsContact O-CD2 3.29Å; L232-Y236 WeakPolarHBondContact O-CD2 3.39Å; L232-Y236 PolarHBondContact O-N 3.09Å; L232-Y236 VanDerWaalsContact O-N 3.1Å
233K94.9Very high94.1Very high39 Ų3960.2 Ų60.217%0.1731%0.308CS..Hα-helixtrans-63.6-35.8173.5-70.9173.7175.6159.30111.4W225 D226 L228 P229 Q230 D231 G237W225-K233 HydrophobicContact CD2-CG 4.35Å; W225-K233 HydrophobicContact CH2-CB 3.99Å; W225-K233 HydrophobicContact CH2-CG 4.15Å; W225-K233 WeakPolarHBondContact CH2-O 3.26Å; W225-K233 HydrophobicContact CZ2-CB 3.88Å; W225-K233 HydrophobicContact CZ2-CD 4.48Å; W225-K233 HydrophobicContact CZ2-CG 3.86Å; W225-K233 HydrophobicContact CZ3-CG 4.5Å; W225-K233 WeakPolarHBondContact O-CE 3.38Å; D226-K233 PolarHBondContact O-NZ 2.99Å; L228-K233 HydrophobicContact CB-CD 4.5Å; L228-K233 HydrophobicContact CB-CG 3.9Å; L228-K233 HydrophobicContact CD1-CG 4.45Å; L228-K233 VanDerWaalsContact O-CE 3.22Å; L228-K233 WeakPolarHBondContact O-CE 3.42Å; L228-K233 PolarHBondContact O-NZ 2.88Å; L228-K233 VanDerWaalsContact O-NZ 3.13Å; P229-K233 PolarHBondContact O-N 3.01Å; P229-K233 VanDerWaalsContact O-N 3.13Å; Q230-K233 WeakPolarHBondContact O-CB 3.24Å; Q230-K233 PolarHBondContact O-N 3.17Å; Q230-K233 VanDerWaalsContact O-N 3.11Å; D231-K233 PolarHBondContact O-N 3.14Å; K233-G237 VanDerWaalsContact O-CA 3.29Å; K233-G237 WeakPolarHBondContact O-CA 3.25Å; K233-G237 PolarHBondContact O-N 3Å
234D94.6Very high93.8Very high86 Ų8657.4 Ų57.446%0.4629%0.289SS..Hα-helixtrans-72.1-38.7178.7-65.7-23.2000111.6Q230 D231 L232Q230-D234 PolarHBondContact NE2-OD1 3.47Å; Q230-D234 PolarHBondContact O-N 3.27Å; D231-D234 WeakPolarHBondContact O-CB 3.32Å; D231-D234 PolarHBondContact O-N 3.18Å; D231-D234 VanDerWaalsContact O-N 3.14Å; L232-D234 VanDerWaalsContact C-N 3.26Å; L232-D234 PolarHBondContact O-N 3.37Å
235D94.8Very high93.5Very high74 Ų7457.7 Ų57.740%0.39629%0.291SS..Hα-helixtrans-64.4-44.1176.5-76-16.2000112.7D231 L232 K313 A314D231-D235 PolarHBondContact O-N 2.83Å; L232-D235 PolarHBondContact O-N 3.4Å; D235-K313 PolarHBondContact O-N 3.48Å; D235-A314 HydrophobicContact CB-CB 4.32Å; D235-A314 PolarHBondContact O-N 2.81Å
236Y94.3Very high93.1Very high29 Ų2962.9 Ų62.911%0.11432%0.316CS..Hα-helixtrans-79.8-39.2178-77.7-99.9000111.7P121 E123 W124 L232 F240 P312 K313P121-Y236 HydrophobicContact CB-CE1 3.92Å; P121-Y236 HydrophobicContact CG-CE1 3.95Å; E123-Y236 WeakPolarHBondContact OE2-CE2 3.31Å; E123-Y236 PolarHBondContact OE2-OH 3.24Å; W124-Y236 AromaticContact CD1-CE2 3.95Å; W124-Y236 AromaticContact CD1-CZ 3.94Å; W124-Y236 AromaticContact CE2-CD1 3.95Å; W124-Y236 AromaticContact CZ2-CD1 3.7Å; W124-Y236 HydrophobicContact CZ2-CD1 3.7Å; W124-Y236 HydrophobicContact CZ2-CE1 4.2Å; W124-Y236 AromaticContact CZ2-CG 3.89Å; W124-Y236 HydrophobicContact CZ2-CG 3.89Å; W124-Y236 AromaticContact NE1-CD1 3.66Å; W124-Y236 AromaticContact NE1-CD2 3.45Å; W124-Y236 AromaticContact NE1-CE1 3.5Å; W124-Y236 AromaticContact NE1-CE2 3.3Å; W124-Y236 VanDerWaalsContact NE1-CE2 3.3Å; W124-Y236 AromaticContact NE1-CG 3.62Å; W124-Y236 AromaticContact NE1-CZ 3.32Å; W124-Y236 VanDerWaalsContact NE1-CZ 3.32Å; L232-Y236 VanDerWaalsContact O-CD2 3.29Å; L232-Y236 WeakPolarHBondContact O-CD2 3.39Å; L232-Y236 PolarHBondContact O-N 3.09Å; L232-Y236 VanDerWaalsContact O-N 3.1Å; Y236-F240 AromaticContact CD1-CD1 3.67Å; Y236-F240 HydrophobicContact CD1-CD1 3.67Å; Y236-F240 HydrophobicContact CD1-CD2 4.02Å; Y236-F240 AromaticContact CD1-CE1 3.53Å; Y236-F240 HydrophobicContact CD1-CE1 3.53Å; Y236-F240 AromaticContact CD1-CE2 3.86Å; Y236-F240 HydrophobicContact CD1-CE2 3.86Å; Y236-F240 AromaticContact CD1-CG 3.93Å; Y236-F240 HydrophobicContact CD1-CG 3.93Å; Y236-F240 AromaticContact CD1-CZ 3.63Å; Y236-F240 HydrophobicContact CD1-CZ 3.63Å; Y236-F240 HydrophobicContact CE1-CE1 4.01Å; Y236-F240 HydrophobicContact CE1-CE2 4.19Å; Y236-F240 AromaticContact CE1-CZ 3.8Å; Y236-F240 HydrophobicContact CE1-CZ 3.8Å; Y236-F240 HydrophobicContact CG-CD1 4.42Å; Y236-F240 WeakPolarHBondContact O-CB 3.42Å; Y236-P312 HydrophobicContact CD1-CB 4.32Å; Y236-P312 HydrophobicContact CD1-CG 4.14Å; Y236-P312 HydrophobicContact CE1-CG 4.2Å; Y236-K313 PolarHBondContact O-N 3.23Å
237G94.3Very high92.6Very high9 Ų960 Ų609%0.09330%0.299CS..  trans74.2149.5-175.300000113.3W225 K233 T239 F240W225-G237 WeakPolarHBondContact CH2-O 3.43Å; K233-G237 VanDerWaalsContact O-CA 3.29Å; K233-G237 WeakPolarHBondContact O-CA 3.25Å; K233-G237 PolarHBondContact O-N 3Å; G237-T239 PolarHBondContact O-N 2.83Å; G237-F240 WeakPolarHBondContact O-CB 3.43Å; G237-F240 PolarHBondContact O-N 3.32Å
238Y92Very high91.9Very high139 Ų13956.9 Ų56.955%0.54529%0.29SS..Hα-helixtrans-62-30.9-177.5-174.8-103.1000113.3W225 F240 L241 E242W225-Y238 HydrophobicContact CZ2-CD2 4.49Å; Y238-F240 VanDerWaalsContact C-N 3.27Å; Y238-F240 PolarHBondContact O-N 2.62Å; Y238-L241 HydrophobicContact CD2-CD2 4.1Å; Y238-L241 HydrophobicContact CE2-CD2 3.87Å; Y238-L241 WeakPolarHBondContact O-CB 3.46Å; Y238-L241 PolarHBondContact O-N 2.81Å; Y238-L241 VanDerWaalsContact O-N 3.12Å; Y238-E242 HydrophobicContact CD1-CG 4.06Å; Y238-E242 HydrophobicContact CE1-CG 3.58Å; Y238-E242 WeakPolarHBondContact CE1-OE1 3.15Å; Y238-E242 PolarHBondContact O-N 2.72Å; Y238-E242 VanDerWaalsContact O-N 3.1Å; Y238-E242 PolarHBondContact OH-OE1 3.39Å
239T92.2Very high91Very high101 Ų10158.3 Ų58.362%0.6230%0.298SS*.Hα-helixtrans-60.9-34.7174.8-47.70000112.4G237 L241 E242 T243G237-T239 PolarHBondContact O-N 2.83Å; T239-L241 VanDerWaalsContact C-N 3.33Å; T239-L241 PolarHBondContact O-N 2.91Å; T239-E242 PolarHBondContact O-N 3.47Å; T239-T243 WeakPolarHBondContact O-CB 3.49Å; T239-T243 PolarHBondContact O-N 2.78Å; T239-T243 PolarHBondContact O-OG1 2.79Å; T239-T243 VanDerWaalsContact O-OG1 3.04Å
240F92.8Very high90.2Very high18 Ų1860 Ų608%0.07930%0.3CS..Hα-helixtrans-62.4-42.3175.2177.9-82.6000111.3P121 W124 F221 Y236 G237 Y238 G244 P310 P312P121-F240 HydrophobicContact CG-CE1 3.93Å; P121-F240 HydrophobicContact CG-CZ 3.95Å; W124-F240 AromaticContact CH2-CD1 3.89Å; W124-F240 HydrophobicContact CH2-CD1 3.89Å; W124-F240 AromaticContact CH2-CE1 3.77Å; W124-F240 HydrophobicContact CH2-CE1 3.77Å; W124-F240 AromaticContact CZ2-CD1 3.75Å; W124-F240 HydrophobicContact CZ2-CD1 3.75Å; W124-F240 AromaticContact CZ2-CE1 3.59Å; W124-F240 HydrophobicContact CZ2-CE1 3.59Å; F221-F240 HydrophobicContact CZ-CE1 4.32Å; Y236-F240 AromaticContact CD1-CD1 3.67Å; Y236-F240 HydrophobicContact CD1-CD1 3.67Å; Y236-F240 HydrophobicContact CD1-CD2 4.02Å; Y236-F240 AromaticContact CD1-CE1 3.53Å; Y236-F240 HydrophobicContact CD1-CE1 3.53Å; Y236-F240 AromaticContact CD1-CE2 3.86Å; Y236-F240 HydrophobicContact CD1-CE2 3.86Å; Y236-F240 AromaticContact CD1-CG 3.93Å; Y236-F240 HydrophobicContact CD1-CG 3.93Å; Y236-F240 AromaticContact CD1-CZ 3.63Å; Y236-F240 HydrophobicContact CD1-CZ 3.63Å; Y236-F240 HydrophobicContact CE1-CE1 4.01Å; Y236-F240 HydrophobicContact CE1-CE2 4.19Å; Y236-F240 AromaticContact CE1-CZ 3.8Å; Y236-F240 HydrophobicContact CE1-CZ 3.8Å; Y236-F240 HydrophobicContact CG-CD1 4.42Å; Y236-F240 WeakPolarHBondContact O-CB 3.42Å; G237-F240 WeakPolarHBondContact O-CB 3.43Å; G237-F240 PolarHBondContact O-N 3.32Å; Y238-F240 VanDerWaalsContact C-N 3.27Å; Y238-F240 PolarHBondContact O-N 2.62Å; F240-G244 PolarHBondContact O-N 3.23Å; F240-P310 HydrophobicContact CD2-CB 3.7Å; F240-P310 HydrophobicContact CD2-CG 3.86Å; F240-P310 HydrophobicContact CE1-CG 4.45Å; F240-P310 HydrophobicContact CE2-CB 3.93Å; F240-P310 HydrophobicContact CE2-CG 3.6Å; F240-P310 WeakPolarHBondContact CE2-O 3.14Å; F240-P310 HydrophobicContact CG-CB 4.28Å; F240-P310 HydrophobicContact CG-CG 4.42Å; F240-P310 HydrophobicContact CZ-CG 3.91Å; F240-P312 HydrophobicContact CD2-CG 4.26Å; F240-P312 HydrophobicContact CE2-CG 4.11Å
241L91.7Very high89.3Confident7 Ų758.5 Ų58.54%0.03729%0.289CS..Hα-helixtrans-60.7-51.7175.9173.166.9000110.8F221 W225 Y238 T239 G244 L245F221-L241 HydrophobicContact CD1-CD1 3.63Å; F221-L241 HydrophobicContact CE1-CD1 3.72Å; W225-L241 HydrophobicContact CB-CD1 3.94Å; W225-L241 HydrophobicContact CB-CD2 4.23Å; W225-L241 HydrophobicContact CD2-CB 4.19Å; W225-L241 HydrophobicContact CD2-CD1 4.38Å; W225-L241 HydrophobicContact CD2-CD2 3.86Å; W225-L241 HydrophobicContact CD2-CG 4.36Å; W225-L241 HydrophobicContact CE3-CB 4.19Å; W225-L241 HydrophobicContact CG-CD1 4.12Å; W225-L241 HydrophobicContact CG-CD2 3.63Å; W225-L241 HydrophobicContact CG-CG 4.35Å; W225-L241 HydrophobicContact CZ3-CB 4.4Å; Y238-L241 HydrophobicContact CD2-CD2 4.1Å; Y238-L241 HydrophobicContact CE2-CD2 3.87Å; Y238-L241 WeakPolarHBondContact O-CB 3.46Å; Y238-L241 PolarHBondContact O-N 2.81Å; Y238-L241 VanDerWaalsContact O-N 3.12Å; T239-L241 VanDerWaalsContact C-N 3.33Å; T239-L241 PolarHBondContact O-N 2.91Å; L241-G244 PolarHBondContact O-N 3.23Å; L241-L245 HydrophobicContact CD1-CD1 4.01Å; L241-L245 HydrophobicContact CD1-CG 4.23Å; L241-L245 HydrophobicContact CG-CD1 4.07Å; L241-L245 VanDerWaalsContact O-CG 3.27Å; L241-L245 WeakPolarHBondContact O-CG 3.44Å; L241-L245 PolarHBondContact O-N 3.35Å
242E91.8Very high88.2Confident88 Ų8854.6 Ų54.641%0.41127%0.267SS..Hα-helixtrans-62.2-50.5-178.1-68.8-167140.500111.8Y238 T239 G244 L245 E246Y238-E242 HydrophobicContact CD1-CG 4.06Å; Y238-E242 HydrophobicContact CE1-CG 3.58Å; Y238-E242 WeakPolarHBondContact CE1-OE1 3.15Å; Y238-E242 PolarHBondContact O-N 2.72Å; Y238-E242 VanDerWaalsContact O-N 3.1Å; Y238-E242 PolarHBondContact OH-OE1 3.39Å; T239-E242 PolarHBondContact O-N 3.47Å; E242-G244 VanDerWaalsContact C-N 3.29Å; E242-G244 PolarHBondContact O-N 3.27Å; E242-L245 PolarHBondContact O-N 3.39Å; E242-L245 VanDerWaalsContact O-N 3.15Å; E242-E246 WeakPolarHBondContact O-CG 3.48Å; E242-E246 PolarHBondContact O-N 3.06Å
243T90.3Very high87.2Confident44 Ų4459.7 Ų59.727%0.2729%0.288SS..Hα-helixtrans-61.2-39.3177.3-59.10000111.3T239 L245 E246 Q247 P310T239-T243 WeakPolarHBondContact O-CB 3.49Å; T239-T243 PolarHBondContact O-N 2.78Å; T239-T243 PolarHBondContact O-OG1 2.79Å; T239-T243 VanDerWaalsContact O-OG1 3.04Å; T243-L245 PolarHBondContact O-N 2.74Å; T243-E246 PolarHBondContact O-N 2.62Å; T243-Q247 HydrophobicContact CG2-CG 4.17Å; T243-Q247 WeakPolarHBondContact O-CB 3.45Å; T243-Q247 VanDerWaalsContact O-CG 3.26Å; T243-Q247 WeakPolarHBondContact O-CG 3.39Å; T243-Q247 PolarHBondContact O-N 3.44Å; T243-P310 HydrophobicContact CG2-CB 3.95Å
244G87.9Confident86.1Confident6 Ų664.5 Ų64.56%0.06231%0.311CS..Hα-helixtrans-60.9-43.9175.300000112.6F240 L241 E242 L248F240-G244 PolarHBondContact O-N 3.23Å; L241-G244 PolarHBondContact O-N 3.23Å; E242-G244 VanDerWaalsContact C-N 3.29Å; E242-G244 PolarHBondContact O-N 3.27Å; G244-L248 WeakPolarHBondContact O-CG 3.44Å; G244-L248 PolarHBondContact O-N 3.4Å
245L88.8Confident85Confident12 Ų1262.2 Ų62.26%0.06330%0.298CS..Hα-helixtrans-65.5-39.5176.7-68.9170.2000112.3K218 F221 R222 L241 E242 T243K218-L245 HydrophobicContact CB-CD2 3.81Å; K218-L245 WeakPolarHBondContact CE-O 3.41Å; K218-L245 HydrophobicContact CG-CD2 3.74Å; F221-L245 HydrophobicContact CB-CD2 4.11Å; F221-L245 HydrophobicContact CD1-CD2 3.81Å; F221-L245 HydrophobicContact CD1-CG 4.11Å; F221-L245 HydrophobicContact CG-CD2 4.37Å; R222-L245 HydrophobicContact CG-CD1 3.92Å; R222-L245 HydrophobicContact CG-CD2 4.22Å; L241-L245 HydrophobicContact CD1-CD1 4.01Å; L241-L245 HydrophobicContact CD1-CG 4.23Å; L241-L245 HydrophobicContact CG-CD1 4.07Å; L241-L245 VanDerWaalsContact O-CG 3.27Å; L241-L245 WeakPolarHBondContact O-CG 3.44Å; L241-L245 PolarHBondContact O-N 3.35Å; E242-L245 PolarHBondContact O-N 3.39Å; E242-L245 VanDerWaalsContact O-N 3.15Å; T243-L245 PolarHBondContact O-N 2.74Å
246E87.2Confident84.3Confident128 Ų12862.4 Ų62.460%0.59829%0.293SS*.Hα-helixtrans-67.1-47175.7-71.5177.7171.900111.8E242 T243 L248 D249 E250E242-E246 WeakPolarHBondContact O-CG 3.48Å; E242-E246 PolarHBondContact O-N 3.06Å; T243-E246 PolarHBondContact O-N 2.62Å; E246-L248 VanDerWaalsContact C-N 3.27Å; E246-L248 PolarHBondContact O-N 3.5Å; E246-D249 PolarHBondContact O-N 3.42Å; E246-D249 VanDerWaalsContact O-N 3.09Å; E246-E250 PolarHBondContact O-N 2.84Å
247Q84.1Confident83.8Confident50 Ų5061.9 Ų61.923%0.23429%0.292CS..Hα-helixtrans-62.8-32.7179.2-75.8-172.514.300112.9T243 D249 E250 R251 Y308T243-Q247 HydrophobicContact CG2-CG 4.17Å; T243-Q247 WeakPolarHBondContact O-CB 3.45Å; T243-Q247 VanDerWaalsContact O-CG 3.26Å; T243-Q247 WeakPolarHBondContact O-CG 3.39Å; T243-Q247 PolarHBondContact O-N 3.44Å; Q247-D249 VanDerWaalsContact C-N 3.34Å; Q247-D249 PolarHBondContact O-N 2.93Å; Q247-E250 PolarHBondContact O-N 3.34Å; Q247-R251 WeakPolarHBondContact O-CB 3.48Å; Q247-R251 VanDerWaalsContact O-CG 3.26Å; Q247-R251 WeakPolarHBondContact O-CG 3.27Å; Q247-R251 PolarHBondContact O-N 2.95Å; Q247-Y308 PolarHBondContact NE2-O 3.36Å; Q247-Y308 PolarHBondContact OE1-O 3.13Å
248L81.9Confident83.5Confident43 Ų4366 Ų6623%0.22532%0.319CS..Hα-helixtrans-55.7-50.9172.3-78.4169.6000110K218 G244 E246 E250 F252K218-L248 HydrophobicContact CG-CD1 4.49Å; G244-L248 WeakPolarHBondContact O-CG 3.44Å; G244-L248 PolarHBondContact O-N 3.4Å; E246-L248 VanDerWaalsContact C-N 3.27Å; E246-L248 PolarHBondContact O-N 3.5Å; L248-E250 PolarHBondContact O-N 3.4Å; L248-F252 HydrophobicContact CD2-CD2 4.48Å; L248-F252 HydrophobicContact CD2-CE2 4.01Å; L248-F252 WeakPolarHBondContact O-CB 3.03Å; L248-F252 WeakPolarHBondContact O-CD2 3.26Å; L248-F252 PolarHBondContact O-N 2.91Å
249D77.3Confident83.5Confident42 Ų4261.2 Ų61.223%0.22530%0.303CS..Hα-helixtrans-60.4-45.9179.5-87.7-6.9000112.5T214 K218 E246 Q247 F252 K253T214-D249 WeakPolarHBondContact CB-OD1 3.38Å; T214-D249 PolarHBondContact OG1-OD1 2.99Å; K218-D249 WeakPolarHBondContact CE-OD1 3.36Å; K218-D249 WeakPolarHBondContact CE-OD2 3.37Å; K218-D249 IonicContact NZ-OD1 3.37Å; K218-D249 PolarHBondContact NZ-OD1 3.22Å; K218-D249 IonicContact NZ-OD2 2.55Å; K218-D249 PolarHBondContact NZ-OD2 2.77Å; E246-D249 PolarHBondContact O-N 3.42Å; E246-D249 VanDerWaalsContact O-N 3.09Å; Q247-D249 VanDerWaalsContact C-N 3.34Å; Q247-D249 PolarHBondContact O-N 2.93Å; D249-F252 CarbonylContact O-C 3.58Å; D249-F252 PolarHBondContact O-N 3.27Å; D249-K253 VanDerWaalsContact O-CG 3.29Å; D249-K253 WeakPolarHBondContact O-CG 3.41Å; D249-K253 PolarHBondContact O-N 3.4Å
250E79.4Confident83.5Confident107 Ų10757.9 Ų57.950%0.528%0.281SS..Hα-helixtrans-66.6-45.9-177.1-68.9-53.7128.300112.2E246 Q247 L248 F252 K253 Q254E246-E250 PolarHBondContact O-N 2.84Å; Q247-E250 PolarHBondContact O-N 3.34Å; L248-E250 PolarHBondContact O-N 3.4Å; E250-F252 VanDerWaalsContact C-N 3.32Å; E250-F252 PolarHBondContact O-N 3.19Å; E250-K253 WeakPolarHBondContact O-CB 3.48Å; E250-K253 PolarHBondContact O-N 3.34Å; E250-K253 IonicContact OE1-NZ 2.62Å; E250-K253 PolarHBondContact OE1-NZ 2.95Å; E250-Q254 PolarHBondContact O-N 3.27Å
251R74.6Confident83.6Confident84 Ų8464.7 Ų64.732%0.31731%0.307SS..Hα-helixtrans-60.9-42.7175.6-69.8178.9-174.4-162.95.4111.2Q247 K253 Q254 F255 Y308Q247-R251 WeakPolarHBondContact O-CB 3.48Å; Q247-R251 VanDerWaalsContact O-CG 3.26Å; Q247-R251 WeakPolarHBondContact O-CG 3.27Å; Q247-R251 PolarHBondContact O-N 2.95Å; R251-K253 VanDerWaalsContact C-N 3.34Å; R251-K253 PolarHBondContact O-N 3.14Å; R251-Q254 PolarHBondContact O-N 3.36Å; R251-F255 WeakPolarHBondContact O-CD2 3.29Å; R251-F255 PolarHBondContact O-N 2.95Å; R251-F255 VanDerWaalsContact O-N 3.12Å; R251-Y308 VanDerWaalsContact NH2-C 3.35Å; R251-Y308 PolarHBondContact NH2-O 2.99Å
252F72.7Confident83.8Confident19 Ų1968.5 Ų68.58%0.08332%0.323CS..Hα-helixtrans-71.4-23.7175.4-81.4-73.5000112.8F206 T212 T214 L217 L248 D249 E250 R256F206-F252 HydrophobicContact CD1-CD1 4.01Å; F206-F252 AromaticContact CD1-CE1 3.62Å; F206-F252 HydrophobicContact CD1-CE1 3.62Å; F206-F252 HydrophobicContact CD1-CZ 4.38Å; F206-F252 HydrophobicContact CE1-CD1 4.28Å; F206-F252 AromaticContact CE1-CE1 3.66Å; F206-F252 HydrophobicContact CE1-CE1 3.66Å; F206-F252 AromaticContact CE1-CZ 3.96Å; F206-F252 HydrophobicContact CE1-CZ 3.96Å; T212-F252 VanDerWaalsContact CB-CE1 3.45Å; T212-F252 HydrophobicContact CG2-CE1 3.76Å; T214-F252 HydrophobicContact CG2-CB 3.52Å; T214-F252 HydrophobicContact CG2-CD2 3.66Å; T214-F252 HydrophobicContact CG2-CG 3.66Å; L217-F252 HydrophobicContact CD1-CD2 4.36Å; L217-F252 HydrophobicContact CD1-CE1 4.36Å; L217-F252 HydrophobicContact CD1-CE2 3.41Å; L217-F252 VanDerWaalsContact CD1-CE2 3.41Å; L217-F252 HydrophobicContact CD1-CZ 3.4Å; L248-F252 HydrophobicContact CD2-CD2 4.48Å; L248-F252 HydrophobicContact CD2-CE2 4.01Å; L248-F252 WeakPolarHBondContact O-CB 3.03Å; L248-F252 WeakPolarHBondContact O-CD2 3.26Å; L248-F252 PolarHBondContact O-N 2.91Å; D249-F252 CarbonylContact O-C 3.58Å; D249-F252 PolarHBondContact O-N 3.27Å; E250-F252 VanDerWaalsContact C-N 3.32Å; E250-F252 PolarHBondContact O-N 3.19Å; F252-R256 VanDerWaalsContact C-NH2 3.35Å; F252-R256 WeakPolarHBondContact O-CB 3.26Å; F252-R256 VanDerWaalsContact O-CZ 3.31Å; F252-R256 PolarHBondContact O-NE 3.49Å; F252-R256 PolarHBondContact O-NH2 3.06Å
253K73.1Confident84Confident128 Ų12864.3 Ų64.356%0.55730%0.303SS*.Hα-helixtrans-72.4-41.3170.2-76.5170.7-169.71680111.3D249 E250 R251D249-K253 VanDerWaalsContact O-CG 3.29Å; D249-K253 WeakPolarHBondContact O-CG 3.41Å; D249-K253 PolarHBondContact O-N 3.4Å; E250-K253 WeakPolarHBondContact O-CB 3.48Å; E250-K253 PolarHBondContact O-N 3.34Å; E250-K253 IonicContact OE1-NZ 2.62Å; E250-K253 PolarHBondContact OE1-NZ 2.95Å; R251-K253 VanDerWaalsContact C-N 3.34Å; R251-K253 PolarHBondContact O-N 3.14Å
254Q72.1Confident84.4Confident140 Ų14062.6 Ų62.665%0.65429%0.292SS*.Hα-helixtrans-74-40.1-172.9-169.3176.69.900113.8E250 R251E250-Q254 PolarHBondContact O-N 3.27Å; R251-Q254 PolarHBondContact O-N 3.36Å
255F72.5Confident84.9Confident38 Ų3866.9 Ų66.917%0.16731%0.311CS..Hα-helixtrans-104.5-11.2-171.4-66.5-72.9000115.1F206 R251 D257 W284 D285 L289F206-F255 HydrophobicContact CB-CB 4.1Å; F206-F255 WeakPolarHBondContact CB-O 3.24Å; F206-F255 HydrophobicContact CD2-CB 4.3Å; F206-F255 HydrophobicContact CG-CB 4.2Å; R251-F255 WeakPolarHBondContact O-CD2 3.29Å; R251-F255 PolarHBondContact O-N 2.95Å; R251-F255 VanDerWaalsContact O-N 3.12Å; F255-D257 PolarHBondContact O-N 2.81Å; F255-W284 AromaticContact CD1-CH2 3.79Å; F255-W284 HydrophobicContact CD1-CH2 3.79Å; F255-W284 AromaticContact CD1-CZ2 3.82Å; F255-W284 HydrophobicContact CD1-CZ2 3.82Å; F255-W284 AromaticContact CE1-CH2 3.76Å; F255-W284 HydrophobicContact CE1-CH2 3.76Å; F255-W284 HydrophobicContact CE1-CZ2 4.26Å; F255-D285 HydrophobicContact CD1-CB 4.31Å; F255-L289 HydrophobicContact CD1-CD2 4.3Å; F255-L289 HydrophobicContact CE1-CD2 3.57Å; F255-L289 HydrophobicContact CZ-CD2 3.99Å
256R78.8Confident85.3Confident78 Ų7867.6 Ų67.629%0.29432%0.316SS..  trans-75.9111.2-172.4176.2170.632.8171.9-8112.1K208 F252K208-R256 HydrophobicContact CB-CG 3.86Å; F252-R256 VanDerWaalsContact C-NH2 3.35Å; F252-R256 WeakPolarHBondContact O-CB 3.26Å; F252-R256 VanDerWaalsContact O-CZ 3.31Å; F252-R256 PolarHBondContact O-NE 3.49Å; F252-R256 PolarHBondContact O-NH2 3.06Å
257D85.5Confident85.9Confident19 Ų1961.5 Ų61.510%0.10229%0.288CS..BIsolated β-bridgetrans-80.1128.2169.8-159.4-35.2000110.3F206 F207 K208 F255 D259 K262F206-D257 PolarHBondContact O-N 3.33Å; F207-D257 CarbonylContact C-O 3.47Å; F207-D257 VanDerWaalsContact CA-O 3.31Å; F207-D257 WeakPolarHBondContact CA-O 3.31Å; F207-D257 HydrophobicContact CD1-CB 3.76Å; F207-D257 HydrophobicContact CE1-CB 3.73Å; F207-D257 HydrophobicContact CG-CB 4.42Å; F207-D257 HydrophobicContact CZ-CB 4.37Å; K208-D257 PolarHBondContact N-O 3.39Å; F255-D257 PolarHBondContact O-N 2.81Å; D257-D259 WeakPolarHBondContact OD1-CB 3.33Å; D257-D259 PolarHBondContact OD1-N 3.4Å; D257-K262 IonicContact OD1-NZ 2.75Å; D257-K262 PolarHBondContact OD1-NZ 3.04Å; D257-K262 WeakPolarHBondContact OD2-CD 3.5Å; D257-K262 IonicContact OD2-NZ 3.29Å; D257-K262 PolarHBondContact OD2-NZ 2.78Å
258S86Confident86.5Confident95 Ų9560 Ų6066%0.66428%0.281SS*.  trans-84.7-15.6177.4580000112.7L260S258-L260 PolarHBondContact O-N 2.84Å; S258-L260 VanDerWaalsContact O-N 3.12Å
259D92.1Very high87.3Confident38 Ų3859 Ų5920%0.20328%0.275CS..  trans-87.383.3-175.6-1690.5000112.1F207 D257 R261 K262F207-D259 WeakPolarHBondContact CE1-O 3.34Å; D257-D259 WeakPolarHBondContact OD1-CB 3.33Å; D257-D259 PolarHBondContact OD1-N 3.4Å; D259-R261 PolarHBondContact O-N 3.24Å; D259-R261 VanDerWaalsContact O-N 3.07Å; D259-R261 WeakPolarHBondContact OD1-CB 3.37Å; D259-R261 VanDerWaalsContact OD1-CG 3.27Å; D259-R261 WeakPolarHBondContact OD1-CG 3.35Å; D259-R261 IonicContact OD1-CZ 3.17Å; D259-R261 PolarHBondContact OD1-N 3.12Å; D259-R261 IonicContact OD1-NE 3.56Å; D259-R261 PolarHBondContact OD1-NE 2.76Å; D259-R261 IonicContact OD1-NH2 3.36Å; D259-R261 IonicContact OD2-CZ 2.96Å; D259-R261 IonicContact OD2-NE 3.51Å; D259-R261 PolarHBondContact OD2-NE 3.2Å; D259-R261 IonicContact OD2-NH2 2.59Å; D259-R261 PolarHBondContact OD2-NH2 3.38Å; D259-K262 HydrophobicContact CB-CD 4.4Å; D259-K262 HydrophobicContact CB-CG 4.47Å; D259-K262 PolarHBondContact O-N 3.47Å
260L92.8Very high88.3Confident31 Ų3157 Ų5716%0.16227%0.265CS..THydrogen-bonded Turntrans-60.6-17.8176.5-52.3-173000113.1F41 F207 K208 T209 S258 K262 V263 V264F41-L260 HydrophobicContact CD1-CB 4.19Å; F41-L260 HydrophobicContact CD1-CD2 4.22Å; F41-L260 HydrophobicContact CE1-CB 4.19Å; F41-L260 HydrophobicContact CE1-CD2 3.62Å; F41-L260 HydrophobicContact CE1-CG 4.38Å; F41-L260 HydrophobicContact CZ-CD2 4.48Å; F207-L260 HydrophobicContact CB-CD2 3.87Å; F207-L260 HydrophobicContact CD1-CD2 4.18Å; F207-L260 HydrophobicContact CG-CD2 4.45Å; K208-L260 WeakPolarHBondContact O-CD2 3.13Å; T209-L260 HydrophobicContact CG2-CD1 4.45Å; T209-L260 HydrophobicContact CG2-CD2 3.97Å; S258-L260 PolarHBondContact O-N 2.84Å; S258-L260 VanDerWaalsContact O-N 3.12Å; L260-K262 PolarHBondContact O-N 2.95Å; L260-V263 PolarHBondContact O-N 3.33Å; L260-V263 VanDerWaalsContact O-N 3.11Å; L260-V264 WeakPolarHBondContact O-CG2 3.29Å; L260-V264 PolarHBondContact O-N 3.18Å
261R94.9Very high89.2Confident162 Ų16252 Ų5261%0.61124%0.241SC*.Hα-helixtrans-61.1-28178.9-57172.4-65.4-177.83.3111.4D259 V263 V264 H265D259-R261 PolarHBondContact O-N 3.24Å; D259-R261 VanDerWaalsContact O-N 3.07Å; D259-R261 WeakPolarHBondContact OD1-CB 3.37Å; D259-R261 VanDerWaalsContact OD1-CG 3.27Å; D259-R261 WeakPolarHBondContact OD1-CG 3.35Å; D259-R261 IonicContact OD1-CZ 3.17Å; D259-R261 PolarHBondContact OD1-N 3.12Å; D259-R261 IonicContact OD1-NE 3.56Å; D259-R261 PolarHBondContact OD1-NE 2.76Å; D259-R261 IonicContact OD1-NH2 3.36Å; D259-R261 IonicContact OD2-CZ 2.96Å; D259-R261 IonicContact OD2-NE 3.51Å; D259-R261 PolarHBondContact OD2-NE 3.2Å; D259-R261 IonicContact OD2-NH2 2.59Å; D259-R261 PolarHBondContact OD2-NH2 3.38Å; R261-V263 VanDerWaalsContact C-N 3.3Å; R261-V263 PolarHBondContact O-N 3.13Å; R261-V264 PolarHBondContact O-N 3.34Å; R261-H265 VanDerWaalsContact O-CB 3.28Å; R261-H265 WeakPolarHBondContact O-CB 3.48Å; R261-H265 PolarHBondContact O-N 2.92Å
262K96.1Very high90.3Very high87 Ų8748 Ų4838%0.37823%0.226SC..Hα-helixtrans-59-42.3176.3-65.4175.6-175.4168.50111.8F207 D257 D259 L260 C266F207-K262 HydrophobicContact CE1-CB 4.01Å; F207-K262 HydrophobicContact CE1-CD 4.23Å; F207-K262 HydrophobicContact CZ-CB 4.13Å; F207-K262 HydrophobicContact CZ-CD 4.5Å; D257-K262 IonicContact OD1-NZ 2.75Å; D257-K262 PolarHBondContact OD1-NZ 3.04Å; D257-K262 WeakPolarHBondContact OD2-CD 3.5Å; D257-K262 IonicContact OD2-NZ 3.29Å; D257-K262 PolarHBondContact OD2-NZ 2.78Å; D259-K262 HydrophobicContact CB-CD 4.4Å; D259-K262 HydrophobicContact CB-CG 4.47Å; D259-K262 PolarHBondContact O-N 3.47Å; L260-K262 PolarHBondContact O-N 2.95Å; K262-C266 PolarHBondContact O-N 3.09Å; K262-C266 PolarHBondContact O-SG 2.99Å
263V97.1Very high91.5Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-77-44.2177.3-172.50000110.5F41 I202 P204 F207 L260 R261 H265 C266 M267 P282F41-V263 HydrophobicContact CD1-CB 3.78Å; F41-V263 HydrophobicContact CD1-CG1 3.95Å; F41-V263 HydrophobicContact CD1-CG2 4.18Å; F41-V263 HydrophobicContact CD2-CG1 4.14Å; F41-V263 HydrophobicContact CE1-CB 3.55Å; F41-V263 HydrophobicContact CE1-CG1 3.94Å; F41-V263 HydrophobicContact CE1-CG2 3.42Å; F41-V263 VanDerWaalsContact CE1-CG2 3.42Å; F41-V263 HydrophobicContact CE2-CG1 4.14Å; F41-V263 HydrophobicContact CE2-CG2 4.39Å; F41-V263 HydrophobicContact CG-CB 4.39Å; F41-V263 HydrophobicContact CG-CG1 4.04Å; F41-V263 HydrophobicContact CZ-CB 3.99Å; F41-V263 HydrophobicContact CZ-CG1 4.03Å; F41-V263 HydrophobicContact CZ-CG2 3.54Å; I202-V263 HydrophobicContact CG2-CG1 4.18Å; P204-V263 HydrophobicContact CB-CG2 4.17Å; P204-V263 HydrophobicContact CG-CG1 3.93Å; P204-V263 HydrophobicContact CG-CG2 4.44Å; F207-V263 HydrophobicContact CD1-CG2 4.02Å; F207-V263 HydrophobicContact CD2-CG2 3.71Å; F207-V263 HydrophobicContact CE1-CG2 3.81Å; F207-V263 HydrophobicContact CE2-CG2 3.5Å; F207-V263 VanDerWaalsContact CE2-CG2 3.5Å; F207-V263 HydrophobicContact CG-CG2 3.98Å; F207-V263 HydrophobicContact CZ-CG2 3.55Å; L260-V263 PolarHBondContact O-N 3.33Å; L260-V263 VanDerWaalsContact O-N 3.11Å; R261-V263 VanDerWaalsContact C-N 3.3Å; R261-V263 PolarHBondContact O-N 3.13Å; V263-H265 VanDerWaalsContact C-N 3.33Å; V263-H265 PolarHBondContact O-N 3.38Å; V263-C266 WeakPolarHBondContact O-CB 3.42Å; V263-C266 PolarHBondContact O-N 2.78Å; V263-M267 HydrophobicContact CG1-CE 4.21Å; V263-M267 PolarHBondContact O-N 3.25Å; V263-P282 HydrophobicContact CB-CG 4.22Å; V263-P282 HydrophobicContact CG1-CG 4.18Å; V263-P282 HydrophobicContact CG2-CB 3.94Å; V263-P282 HydrophobicContact CG2-CG 3.77Å
264V97.8Very high92.6Very high7 Ų743.2 Ų43.24%0.04221%0.209CC..Hα-helixtrans-59.1-42.3178.9174.70000111.9L45 H48 L260 R261 C266 M267 E268L45-V264 HydrophobicContact CB-CG1 4.43Å; L45-V264 HydrophobicContact CD1-CG1 4.1Å; H48-V264 HydrophobicContact CB-CG1 3.97Å; L260-V264 WeakPolarHBondContact O-CG2 3.29Å; L260-V264 PolarHBondContact O-N 3.18Å; R261-V264 PolarHBondContact O-N 3.34Å; V264-C266 VanDerWaalsContact C-N 3.34Å; V264-C266 PolarHBondContact O-N 2.59Å; V264-M267 HydrophobicContact CG2-CE 4.16Å; V264-M267 PolarHBondContact O-N 3.37Å; V264-E268 WeakPolarHBondContact O-CB 3.4Å; V264-E268 PolarHBondContact O-N 3.35Å
265H97.6Very high93.8Very high96 Ų9640 Ų4044%0.44419%0.194SC..Hα-helixtrans-67.5-32.7175.8-68.4173.1000112.6R261 V263 H269R261-H265 VanDerWaalsContact O-CB 3.28Å; R261-H265 WeakPolarHBondContact O-CB 3.48Å; R261-H265 PolarHBondContact O-N 2.92Å; V263-H265 VanDerWaalsContact C-N 3.33Å; V263-H265 PolarHBondContact O-N 3.38Å; H265-H269 WeakPolarHBondContact O-CB 3.25Å; H265-H269 PolarHBondContact O-N 2.76Å
266C98.2Very high94.9Very high27 Ų2738.9 Ų38.918%0.18219%0.191CC..Hα-helixtrans-66.3-41.9172.7-69.50000111.1I202 K262 V263 V264 H269 A270 Y280I202-C266 HydrophobicContact CD1-CB 4.39Å; K262-C266 PolarHBondContact O-N 3.09Å; K262-C266 PolarHBondContact O-SG 2.99Å; V263-C266 WeakPolarHBondContact O-CB 3.42Å; V263-C266 PolarHBondContact O-N 2.78Å; V264-C266 VanDerWaalsContact C-N 3.34Å; V264-C266 PolarHBondContact O-N 2.59Å; C266-H269 PolarHBondContact O-N 3.42Å; C266-A270 VanDerWaalsContact O-CB 3.26Å; C266-A270 WeakPolarHBondContact O-CB 3.5Å; C266-A270 PolarHBondContact O-N 3.28Å; C266-Y280 HydrophobicContact CB-CD1 3.84Å; C266-Y280 HydrophobicContact CB-CG 4.08Å
267M98.6Very high95.7Very high0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-66.3-44174.5-66.8-173.9-63.100112F41 L45 V110 V162 I202 V263 V264 H269 A270 I271F41-M267 HydrophobicContact CB-CE 3.81Å; L45-M267 HydrophobicContact CB-CE 3.85Å; L45-M267 HydrophobicContact CD1-CB 3.81Å; L45-M267 HydrophobicContact CD1-CE 4.4Å; L45-M267 HydrophobicContact CD2-CB 3.81Å; L45-M267 HydrophobicContact CD2-CE 3.91Å; L45-M267 HydrophobicContact CD2-CG 4.42Å; L45-M267 HydrophobicContact CD2-SD 3.86Å; L45-M267 HydrophobicContact CG-CB 4.42Å; L45-M267 HydrophobicContact CG-CE 4.27Å; V110-M267 HydrophobicContact CG1-SD 4.13Å; V162-M267 HydrophobicContact CG2-SD 3.89Å; I202-M267 HydrophobicContact CD1-CG 4.43Å; I202-M267 HydrophobicContact CG1-CG 4.01Å; V263-M267 HydrophobicContact CG1-CE 4.21Å; V263-M267 PolarHBondContact O-N 3.25Å; V264-M267 HydrophobicContact CG2-CE 4.16Å; V264-M267 PolarHBondContact O-N 3.37Å; M267-H269 PolarHBondContact O-N 3.02Å; M267-A270 WeakPolarHBondContact O-CB 3.35Å; M267-A270 PolarHBondContact O-N 3.17Å; M267-I271 VanDerWaalsContact O-CD1 3.28Å; M267-I271 WeakPolarHBondContact O-CD1 3.33Å; M267-I271 WeakPolarHBondContact O-CG1 3.41Å; M267-I271 PolarHBondContact O-N 3.07Å
268E98.3Very high96.1Very high19 Ų1946.5 Ų46.59%0.08922%0.219CC..Hα-helixtrans-56.7-50.4172.7174.8-85146.100110.7R23 L49 L52 V264 A270 I271 A272R23-E268 IonicContact CZ-OE1 3.43Å; R23-E268 IonicContact CZ-OE2 3.92Å; R23-E268 IonicContact NE-OE1 2.88Å; R23-E268 PolarHBondContact NE-OE1 2.92Å; R23-E268 IonicContact NH2-OE1 2.73Å; R23-E268 PolarHBondContact NH2-OE1 2.92Å; R23-E268 IonicContact NH2-OE2 2.78Å; R23-E268 PolarHBondContact NH2-OE2 3.37Å; L49-E268 HydrophobicContact CD2-CG 4.44Å; L52-E268 HydrophobicContact CD1-CG 3.76Å; V264-E268 WeakPolarHBondContact O-CB 3.4Å; V264-E268 PolarHBondContact O-N 3.35Å; E268-A270 VanDerWaalsContact C-N 3.29Å; E268-A270 PolarHBondContact O-N 3.2Å; E268-I271 CarbonylContact O-C 3.59Å; E268-I271 WeakPolarHBondContact O-CA 3.12Å; E268-I271 PolarHBondContact O-N 3.04Å; E268-A272 WeakPolarHBondContact O-CB 3.1Å; E268-A272 PolarHBondContact O-N 3.04Å; E268-A272 WeakPolarHBondContact OE1-CB 3.19Å
269H98.4Very high96.6Very high23 Ų2345.8 Ų45.811%0.10620%0.202CC..Hα-helixtrans-59.7-42.5178.5-175.8-81.6000111.5E20 H265 C266 M267 I271 A272 S273 Y280E20-H269 PolarHBondContact O-NE2 2.95Å; E20-H269 VanDerWaalsContact O-NE2 3.15Å; H265-H269 WeakPolarHBondContact O-CB 3.25Å; H265-H269 PolarHBondContact O-N 2.76Å; C266-H269 PolarHBondContact O-N 3.42Å; M267-H269 PolarHBondContact O-N 3.02Å; H269-I271 PolarHBondContact O-N 3.29Å; H269-A272 PolarHBondContact O-N 3.09Å; H269-S273 WeakPolarHBondContact O-CB 3.46Å; H269-S273 PolarHBondContact O-N 2.89Å; H269-Y280 HydrophobicContact CB-CE1 4.21Å; H269-Y280 AromaticContact ND1-CE1 3.42Å; H269-Y280 WeakPolarHBondContact ND1-CE1 3.35Å; H269-Y280 AromaticContact ND1-CZ 3.54Å; H269-Y280 PolarHBondContact ND1-OH 3.43Å
270A98.3Very high96.9Very high0 Ų044.2 Ų44.20%019%0.193CC..Hα-helixtrans-58.6-30.5174.100000112.5R158 V160 L200 I202 C266 M267 E268 Y280R158-A270 WeakPolarHBondContact CD-O 3.26Å; R158-A270 PolarHBondContact NH1-O 3.02Å; V160-A270 HydrophobicContact CG1-CB 4.28Å; V160-A270 HydrophobicContact CG2-CB 4.06Å; L200-A270 HydrophobicContact CB-CB 4.4Å; L200-A270 HydrophobicContact CD2-CB 3.68Å; L200-A270 WeakPolarHBondContact CD2-O 3.45Å; I202-A270 HydrophobicContact CD1-CB 4.27Å; C266-A270 VanDerWaalsContact O-CB 3.26Å; C266-A270 WeakPolarHBondContact O-CB 3.5Å; C266-A270 PolarHBondContact O-N 3.28Å; M267-A270 WeakPolarHBondContact O-CB 3.35Å; M267-A270 PolarHBondContact O-N 3.17Å; E268-A270 VanDerWaalsContact C-N 3.29Å; E268-A270 PolarHBondContact O-N 3.2Å; A270-Y280 WeakPolarHBondContact CA-OH 3.31Å; A270-Y280 HydrophobicContact CB-CE2 3.81Å
271I98.4Very high97Very high0 Ų043.9 Ų43.90%019%0.193CC..Hα-helixtrans-91.1-37.3-178.8-66.5160.1000112.8V32 L45 L49 F54 W107 A108 V110 R158 V160 M267 E268 H269V32-I271 HydrophobicContact CG1-CD1 4.13Å; V32-I271 HydrophobicContact CG2-CG2 3.86Å; L45-I271 HydrophobicContact CD1-CD1 4.36Å; L45-I271 HydrophobicContact CD2-CD1 4.09Å; L49-I271 HydrophobicContact CD1-CD1 3.67Å; F54-I271 HydrophobicContact CE1-CG2 4.1Å; F54-I271 HydrophobicContact CZ-CG2 4.29Å; W107-I271 PolarHBondContact NE1-O 2.63Å; A108-I271 HydrophobicContact CB-CG1 4.32Å; A108-I271 HydrophobicContact CB-CG2 4.39Å; V110-I271 HydrophobicContact CG2-CD1 3.66Å; V110-I271 HydrophobicContact CG2-CG1 4.31Å; R158-I271 PolarHBondContact NE-O 2.93Å; R158-I271 PolarHBondContact NH1-O 2.81Å; V160-I271 HydrophobicContact CG2-CG1 4.21Å; M267-I271 VanDerWaalsContact O-CD1 3.28Å; M267-I271 WeakPolarHBondContact O-CD1 3.33Å; M267-I271 WeakPolarHBondContact O-CG1 3.41Å; M267-I271 PolarHBondContact O-N 3.07Å; E268-I271 CarbonylContact O-C 3.59Å; E268-I271 WeakPolarHBondContact O-CA 3.12Å; E268-I271 PolarHBondContact O-N 3.04Å; H269-I271 PolarHBondContact O-N 3.29Å
272A98Very high97.1Very high0 Ų036.3 Ų36.30%017%0.165CC..Hα-helixtrans-107.1-23.5-166.200000113.8R23 V24 F54 E268 H269R23-A272 CarbonylContact C-O 3.52Å; R23-A272 WeakPolarHBondContact CA-O 3.38Å; V24-A272 PolarHBondContact N-O 2.97Å; F54-A272 HydrophobicContact CE2-CB 4.37Å; F54-A272 HydrophobicContact CZ-CB 3.94Å; E268-A272 WeakPolarHBondContact O-CB 3.1Å; E268-A272 PolarHBondContact O-N 3.04Å; E268-A272 WeakPolarHBondContact OE1-CB 3.19Å; H269-A272 PolarHBondContact O-N 3.09Å
273S97.6Very high96.9Very high0 Ų032.5 Ų32.50%015%0.15CC..BIsolated β-bridgetrans-70136.7-179.41800000111.8E20 K22 R158 H269 H275 P276E20-S273 PolarHBondContact O-OG 3.05Å; K22-S273 CarbonylContact O-C 3.46Å; K22-S273 WeakPolarHBondContact O-CA 3.49Å; R158-S273 PolarHBondContact NH1-O 3.47Å; R158-S273 PolarHBondContact NH2-O 3.36Å; H269-S273 WeakPolarHBondContact O-CB 3.46Å; H269-S273 PolarHBondContact O-N 2.89Å; S273-H275 PolarHBondContact O-N 2.87Å; S273-H275 VanDerWaalsContact OG-C 3.31Å; S273-H275 PolarHBondContact OG-N 3.37Å; S273-H275 PolarHBondContact OG-O 3.5Å; S273-P276 WeakPolarHBondContact O-CD 3.35Å
274V96.4Very high96.6Very high48 Ų4838.4 Ų38.429%0.29117%0.172SC..SBendtrans-62.8-33.1171.5179.10000110.4K22 V24 K198 P276K22-V274 HydrophobicContact CB-CB 4.09Å; K22-V274 HydrophobicContact CB-CG2 3.99Å; K22-V274 PolarHBondContact O-N 3.31Å; V24-V274 HydrophobicContact CG1-CG2 4.1Å; K198-V274 PolarHBondContact NZ-O 2.69Å; V274-P276 WeakPolarHBondContact O-CD 3.47Å
275H95.8Very high96.3Very high71 Ų7138 Ų3833%0.32917%0.17SC..SBendtrans-124.672.7179.8-53.2102.9000109.8K19 S273K19-H275 HydrophobicContact CD-CB 4.38Å; K19-H275 WeakPolarHBondContact CE-CD2 3.31Å; K19-H275 HydrophobicContact CG-CB 3.8Å; K19-H275 WeakPolarHBondContact CG-ND1 3.41Å; K19-H275 PolarHBondContact O-ND1 3.09Å; S273-H275 PolarHBondContact O-N 2.87Å; S273-H275 VanDerWaalsContact OG-C 3.31Å; S273-H275 PolarHBondContact OG-N 3.37Å; S273-H275 PolarHBondContact OG-O 3.5Å
276P96.8Very high96Very high16 Ų1633.5 Ų33.510%0.10415%0.149CC..  trans-71.7156.9-179.435.2-36.3000110.4K198 L200 S273 V274 Y280K198-P276 HydrophobicContact CD-CG 3.52Å; L200-P276 HydrophobicContact CD2-CB 3.43Å; L200-P276 VanDerWaalsContact CD2-CB 3.43Å; L200-P276 HydrophobicContact CD2-CG 3.66Å; S273-P276 WeakPolarHBondContact O-CD 3.35Å; V274-P276 WeakPolarHBondContact O-CD 3.47Å; P276-Y280 WeakPolarHBondContact CA-OH 3Å; P276-Y280 WeakPolarHBondContact CB-OH 3.28Å
277R95.3Very high95.8Very high93 Ų9337.7 Ų37.735%0.35117%0.165SC..  trans-72.3154.7168.8-55.3170.4-178.3-179.53.2109.7R16 E20 L200 Y280R16-R277 VanDerWaalsContact NH2-CD 3.26Å; E20-R277 VanDerWaalsContact CD-NE 3.28Å; E20-R277 WeakPolarHBondContact OE1-CG 3.33Å; E20-R277 IonicContact OE1-CZ 3.92Å; E20-R277 IonicContact OE1-NE 3.02Å; E20-R277 PolarHBondContact OE1-NE 3.32Å; E20-R277 IonicContact OE1-NH2 3.95Å; E20-R277 IonicContact OE2-CZ 3.2Å; E20-R277 IonicContact OE2-NE 2.86Å; E20-R277 PolarHBondContact OE2-NE 2.88Å; E20-R277 IonicContact OE2-NH2 2.71Å; E20-R277 PolarHBondContact OE2-NH2 2.89Å; L200-R277 VanDerWaalsContact CD2-O 3.3Å; L200-R277 WeakPolarHBondContact CD2-O 3.49Å; R277-Y280 HydrophobicContact CB-CD1 4.45Å; R277-Y280 HydrophobicContact CB-CD2 4.36Å; R277-Y280 HydrophobicContact CB-CE1 3.93Å; R277-Y280 HydrophobicContact CB-CE2 3.85Å; R277-Y280 HydrophobicContact CG-CE1 4.1Å; R277-Y280 PolarHBondContact N-OH 3.32Å; R277-Y280 WeakPolarHBondContact O-CE2 3.49Å; R277-Y280 PolarHBondContact O-OH 3.26Å
278Y94.8Very high95.5Very high164 Ų16445.3 Ų45.364%0.64320%0.198SC*.SBendtrans-82.2-27.6174.4-65.6-78.6000112.9L200 C201L200-Y278 WeakPolarHBondContact CA-O 3.39Å; C201-Y278 PolarHBondContact N-O 3.19Å
279R96.1Very high95.2Very high79 Ų7946.2 Ų46.230%0.29820%0.203SC..EExtended strand (participates in β ladder)trans-133.6140175.7-62-168.2-179.6-151.30.4111.2E184 D188 C201 E203E184-R279 IonicContact OE2-CZ 3.91Å; E184-R279 IonicContact OE2-NH1 3.32Å; E184-R279 PolarHBondContact OE2-NH1 3.29Å; E184-R279 IonicContact OE2-NH2 3.36Å; E184-R279 PolarHBondContact OE2-NH2 2.75Å; D188-R279 IonicContact OD1-CZ 2.84Å; D188-R279 IonicContact OD1-NH2 2.89Å; D188-R279 PolarHBondContact OD1-NH2 3.26Å; D188-R279 IonicContact OD2-NH2 2.8Å; D188-R279 PolarHBondContact OD2-NH2 3.24Å; C201-R279 HydrophobicContact CB-CG 4.28Å; C201-R279 CarbonylContact O-C 3.52Å; C201-R279 WeakPolarHBondContact O-CA 3.26Å; E203-R279 IonicContact OE1-NH1 3.18Å; E203-R279 PolarHBondContact OE1-NH1 3.3Å
280Y97.4Very high94.9Very high6 Ų646 Ų462%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-130.4127.1177-59.7-104.7000108.9L200 C201 I202 E203 C266 H269 A270 P276 R277 P282L200-Y280 HydrophobicContact CD2-CE2 4.16Å; C201-Y280 PolarHBondContact O-N 2.79Å; I202-Y280 CarbonylContact C-O 3.54Å; I202-Y280 WeakPolarHBondContact CA-O 3.33Å; I202-Y280 HydrophobicContact CD1-CD2 3.44Å; I202-Y280 VanDerWaalsContact CD1-CD2 3.44Å; I202-Y280 HydrophobicContact CD1-CE2 4.16Å; I202-Y280 HydrophobicContact CD1-CG 3.78Å; E203-Y280 PolarHBondContact N-O 2.62Å; C266-Y280 HydrophobicContact CB-CD1 3.84Å; C266-Y280 HydrophobicContact CB-CG 4.08Å; H269-Y280 HydrophobicContact CB-CE1 4.21Å; H269-Y280 AromaticContact ND1-CE1 3.42Å; H269-Y280 WeakPolarHBondContact ND1-CE1 3.35Å; H269-Y280 AromaticContact ND1-CZ 3.54Å; H269-Y280 PolarHBondContact ND1-OH 3.43Å; A270-Y280 WeakPolarHBondContact CA-OH 3.31Å; A270-Y280 HydrophobicContact CB-CE2 3.81Å; P276-Y280 WeakPolarHBondContact CA-OH 3Å; P276-Y280 WeakPolarHBondContact CB-OH 3.28Å; R277-Y280 HydrophobicContact CB-CD1 4.45Å; R277-Y280 HydrophobicContact CB-CD2 4.36Å; R277-Y280 HydrophobicContact CB-CE1 3.93Å; R277-Y280 HydrophobicContact CB-CE2 3.85Å; R277-Y280 HydrophobicContact CG-CE1 4.1Å; R277-Y280 PolarHBondContact N-OH 3.32Å; R277-Y280 WeakPolarHBondContact O-CE2 3.49Å; R277-Y280 PolarHBondContact O-OH 3.26Å; Y280-P282 VanDerWaalsContact C-CD 3.42Å; Y280-P282 WeakPolarHBondContact O-CD 3.34Å
281S96.3Very high94.7Very high23 Ų2347.3 Ų47.316%0.16121%0.208CC..  trans-118.976.5179.6-32.90000108.8E203 K287 L291E203-S281 WeakPolarHBondContact O-CA 3.01Å; E203-S281 PolarHBondContact OE2-OG 3.1Å; S281-K287 WeakPolarHBondContact O-CE 3.48Å; S281-K287 WeakPolarHBondContact O-CG 3.18Å; S281-L291 WeakPolarHBondContact OG-CD1 3.39Å
282P95.1Very high94.5Very high4 Ų450.2 Ų50.23%0.02623%0.227CC..  trans-68.7138.9178.527.3-31.4000110.4I202 P204 G205 F207 V263 Y280I202-P282 HydrophobicContact CG2-CG 3.95Å; P204-P282 HydrophobicContact CB-CG 4.16Å; P204-P282 HydrophobicContact CG-CG 4.23Å; G205-P282 PolarHBondContact N-O 3.42Å; F207-P282 WeakPolarHBondContact CE2-O 3.49Å; F207-P282 HydrophobicContact CZ-CB 4.32Å; V263-P282 HydrophobicContact CB-CG 4.22Å; V263-P282 HydrophobicContact CG1-CG 4.18Å; V263-P282 HydrophobicContact CG2-CB 3.94Å; V263-P282 HydrophobicContact CG2-CG 3.77Å; Y280-P282 VanDerWaalsContact C-CD 3.42Å; Y280-P282 WeakPolarHBondContact O-CD 3.34Å
283G93.1Very high94.3Very high6 Ų651 Ų516%0.06223%0.231CC..SBendtrans116.7142.3-172.700000111.3D285 K287G283-D285 WeakPolarHBondContact CA-OD1 3.17Å; G283-K287 WeakPolarHBondContact O-CG 3.36Å
284W91.4Very high94.2Very high124 Ų12452.4 Ų52.447%0.4724%0.241SC..Hα-helixtrans-74.3-39.8173.268.3-90.2000109.8F255 A286 K287 F288F255-W284 AromaticContact CD1-CH2 3.79Å; F255-W284 HydrophobicContact CD1-CH2 3.79Å; F255-W284 AromaticContact CD1-CZ2 3.82Å; F255-W284 HydrophobicContact CD1-CZ2 3.82Å; F255-W284 AromaticContact CE1-CH2 3.76Å; F255-W284 HydrophobicContact CE1-CH2 3.76Å; F255-W284 HydrophobicContact CE1-CZ2 4.26Å; W284-A286 VanDerWaalsContact C-N 3.33Å; W284-A286 PolarHBondContact O-N 2.87Å; W284-K287 PolarHBondContact O-N 3Å; W284-F288 HydrophobicContact CB-CD2 4.32Å; W284-F288 WeakPolarHBondContact O-CB 3.48Å; W284-F288 VanDerWaalsContact O-CD2 3.25Å; W284-F288 WeakPolarHBondContact O-CD2 3.34Å; W284-F288 PolarHBondContact O-N 2.92Å
285D90.4Very high94.1Very high0 Ų058 Ų580%026%0.258CS..Hα-helixtrans-59.6-43.4174.965.7-41.4000110.8G205 F206 F255 G283 K287 L289 W290G205-D285 VanDerWaalsContact CA-OD2 3.25Å; G205-D285 WeakPolarHBondContact CA-OD2 3.25Å; F206-D285 WeakPolarHBondContact CD2-OD2 3.29Å; F206-D285 PolarHBondContact N-OD2 2.95Å; F255-D285 HydrophobicContact CD1-CB 4.31Å; G283-D285 WeakPolarHBondContact CA-OD1 3.17Å; D285-K287 VanDerWaalsContact C-N 3.35Å; D285-K287 PolarHBondContact O-N 2.77Å; D285-L289 CarbonylContact O-C 3.56Å; D285-L289 WeakPolarHBondContact O-CA 3.35Å; D285-L289 VanDerWaalsContact O-CB 3.27Å; D285-L289 WeakPolarHBondContact O-CB 3.27Å; D285-L289 PolarHBondContact O-N 3.35Å; D285-W290 VanDerWaalsContact C-CD1 3.5Å; D285-W290 PolarHBondContact O-N 3.27Å; D285-W290 PolarHBondContact OD2-NE1 2.83Å
286A91.7Very high94Very high0 Ų058.6 Ų58.60%026%0.262CS..Iπ-helixtrans-55.8-49.4174.900000112.1V165 W284 L291V165-A286 HydrophobicContact CG1-CB 3.35Å; W284-A286 VanDerWaalsContact C-N 3.33Å; W284-A286 PolarHBondContact O-N 2.87Å; A286-L291 VanDerWaalsContact O-CB 3.24Å; A286-L291 WeakPolarHBondContact O-CB 3.36Å; A286-L291 WeakPolarHBondContact O-CD1 3.47Å; A286-L291 WeakPolarHBondContact O-CG 3.46Å; A286-L291 PolarHBondContact O-N 3.05Å; A286-L291 VanDerWaalsContact O-N 3.08Å
287K92.8Very high94Very high116 Ų11661 Ų6150%0.50428%0.278SS..Iπ-helixtrans-77.4-38.4-173.3-67.5175.5-174.6175.50113.9S281 G283 W284 D285 P292S281-K287 WeakPolarHBondContact O-CE 3.48Å; S281-K287 WeakPolarHBondContact O-CG 3.18Å; G283-K287 WeakPolarHBondContact O-CG 3.36Å; W284-K287 PolarHBondContact O-N 3Å; D285-K287 VanDerWaalsContact C-N 3.35Å; D285-K287 PolarHBondContact O-N 2.77Å; K287-P292 WeakPolarHBondContact O-CD 3.08Å
288F92.9Very high93.8Very high159 Ų15961.1 Ų61.170%0.69729%0.289SS*.Iπ-helixtrans-110.5-11.8-167.6-59.4-65.6000113.8W284W284-F288 HydrophobicContact CB-CD2 4.32Å; W284-F288 WeakPolarHBondContact O-CB 3.48Å; W284-F288 VanDerWaalsContact O-CD2 3.25Å; W284-F288 WeakPolarHBondContact O-CD2 3.34Å; W284-F288 PolarHBondContact O-N 2.92Å
289L91.8Very high93.7Very high39 Ų3962 Ų6220%0.20429%0.291CS..Iπ-helixtrans-119.2-67.2178.3-177.368.2000111.6F255 D285 P292 M293F255-L289 HydrophobicContact CD1-CD2 4.3Å; F255-L289 HydrophobicContact CE1-CD2 3.57Å; F255-L289 HydrophobicContact CZ-CD2 3.99Å; D285-L289 CarbonylContact O-C 3.56Å; D285-L289 WeakPolarHBondContact O-CA 3.35Å; D285-L289 VanDerWaalsContact O-CB 3.27Å; D285-L289 WeakPolarHBondContact O-CB 3.27Å; D285-L289 PolarHBondContact O-N 3.35Å; L289-P292 WeakPolarHBondContact O-CD 3.37Å; L289-M293 HydrophobicContact CD1-CE 3.93Å; L289-M293 WeakPolarHBondContact O-CB 3.11Å; L289-M293 PolarHBondContact O-N 3.48Å
290W93Very high93.5Very high19 Ų1961.3 Ų61.37%0.07229%0.293CS..Iπ-helixtrans-70.5-45.1-167.8-60115.9000113.5V165 F166 I169 P171 F206 D285 M293 S294 F305V165-W290 HydrophobicContact CB-CB 3.82Å; V165-W290 HydrophobicContact CB-CG 4.13Å; V165-W290 HydrophobicContact CG1-CB 4.14Å; V165-W290 HydrophobicContact CG2-CB 4.2Å; V165-W290 HydrophobicContact CG2-CG 3.95Å; F166-W290 HydrophobicContact CE1-CD2 4.13Å; F166-W290 HydrophobicContact CE1-CE3 4.05Å; F166-W290 HydrophobicContact CE1-CH2 4.29Å; F166-W290 HydrophobicContact CE1-CZ2 4.38Å; F166-W290 HydrophobicContact CE1-CZ3 4.12Å; F166-W290 HydrophobicContact CZ-CZ2 4.46Å; I169-W290 HydrophobicContact CG2-CB 4.31Å; I169-W290 HydrophobicContact CG2-CE3 4Å; P171-W290 HydrophobicContact CB-CH2 4.48Å; P171-W290 HydrophobicContact CB-CZ3 4.02Å; P171-W290 HydrophobicContact CG-CH2 4.42Å; P171-W290 HydrophobicContact CG-CZ3 4.02Å; F206-W290 HydrophobicContact CD2-CZ2 4.22Å; F206-W290 AromaticContact CD2-NE1 3.74Å; F206-W290 AromaticContact CE2-CE2 3.77Å; F206-W290 HydrophobicContact CE2-CH2 4.42Å; F206-W290 AromaticContact CE2-CZ2 3.49Å; F206-W290 HydrophobicContact CE2-CZ2 3.49Å; F206-W290 VanDerWaalsContact CE2-CZ2 3.49Å; F206-W290 AromaticContact CE2-NE1 3.76Å; F206-W290 HydrophobicContact CZ-CZ2 4.36Å; D285-W290 VanDerWaalsContact C-CD1 3.5Å; D285-W290 PolarHBondContact O-N 3.27Å; D285-W290 PolarHBondContact OD2-NE1 2.83Å; W290-M293 PolarHBondContact O-N 3.12Å; W290-S294 PolarHBondContact O-N 2.86Å; W290-F305 AromaticContact CZ3-CE1 3.91Å; W290-F305 HydrophobicContact CZ3-CE1 3.91Å; W290-F305 HydrophobicContact CZ3-CZ 4.22Å
291L94.1Very high93.2Very high27 Ų2761.5 Ų61.514%0.14130%0.295CS..Hα-helixtrans-65.6-50.1178-74.5171.4000112.3R168 S281 A286 M293 S294 Y295R168-L291 HydrophobicContact CB-CD2 4.23Å; R168-L291 HydrophobicContact CG-CD2 3.89Å; S281-L291 WeakPolarHBondContact OG-CD1 3.39Å; A286-L291 VanDerWaalsContact O-CB 3.24Å; A286-L291 WeakPolarHBondContact O-CB 3.36Å; A286-L291 WeakPolarHBondContact O-CD1 3.47Å; A286-L291 WeakPolarHBondContact O-CG 3.46Å; A286-L291 PolarHBondContact O-N 3.05Å; A286-L291 VanDerWaalsContact O-N 3.08Å; L291-M293 VanDerWaalsContact C-N 3.27Å; L291-M293 PolarHBondContact O-N 3.16Å; L291-S294 WeakPolarHBondContact O-CB 2.9Å; L291-S294 PolarHBondContact O-N 3.43Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3.33Å; L291-Y295 WeakPolarHBondContact O-CD2 3.49Å
292P94.7Very high93Very high61 Ų6164 Ų6440%0.39631%0.307SS..Hα-helixtrans-54-44.9173.5-28.436.4000112.6K287 L289 S294 Y295 M296K287-P292 WeakPolarHBondContact O-CD 3.08Å; L289-P292 WeakPolarHBondContact O-CD 3.37Å; P292-S294 VanDerWaalsContact C-N 3.28Å; P292-S294 PolarHBondContact O-N 3.3Å; P292-Y295 PolarHBondContact O-N 3.06Å; P292-Y295 VanDerWaalsContact O-N 3.13Å; P292-M296 PolarHBondContact O-N 3.39Å
293M93.4Very high92.7Very high15 Ų1565.7 Ų65.77%0.07433%0.325CS..Hα-helixtrans-62.7-33.5178.9-165.3176.5-71.600112.5I169 L289 W290 L291 Y295 M296 F304 F305I169-M293 HydrophobicContact CD1-CB 3.83Å; I169-M293 HydrophobicContact CD1-CG 3.52Å; I169-M293 HydrophobicContact CD1-SD 3.89Å; L289-M293 HydrophobicContact CD1-CE 3.93Å; L289-M293 WeakPolarHBondContact O-CB 3.11Å; L289-M293 PolarHBondContact O-N 3.48Å; W290-M293 PolarHBondContact O-N 3.12Å; L291-M293 VanDerWaalsContact C-N 3.27Å; L291-M293 PolarHBondContact O-N 3.16Å; M293-Y295 PolarHBondContact O-N 3.04Å; M293-M296 HydrophobicContact CG-SD 4.45Å; M293-M296 WeakPolarHBondContact O-CB 3.15Å; M293-M296 PolarHBondContact O-N 3.1Å; M293-M296 VanDerWaalsContact O-N 3.11Å; M293-F304 HydrophobicContact CE-CD1 3.69Å; M293-F304 HydrophobicContact CE-CD2 4.43Å; M293-F304 HydrophobicContact CE-CE1 3.83Å; M293-F304 HydrophobicContact CE-CG 4.03Å; M293-F304 HydrophobicContact CE-CZ 4.27Å; M293-F304 HydrophobicContact SD-CD1 4.02Å; M293-F304 HydrophobicContact SD-CE1 4.44Å; M293-F305 HydrophobicContact SD-CE1 3.76Å; M293-F305 HydrophobicContact SD-CE2 4.29Å; M293-F305 HydrophobicContact SD-CZ 3.44Å; M293-F305 WeakPolarHBondContact SD-CZ 3.46Å
294S94.4Very high92.6Very high30 Ų3069.1 Ų69.121%0.2134%0.338CS..Hα-helixtrans-62.6-21.8176.1740000114.7R168 W290 L291 P292R168-S294 WeakPolarHBondContact O-CB 3.24Å; W290-S294 PolarHBondContact O-N 2.86Å; L291-S294 WeakPolarHBondContact O-CB 2.9Å; L291-S294 PolarHBondContact O-N 3.43Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3.33Å; P292-S294 VanDerWaalsContact C-N 3.28Å; P292-S294 PolarHBondContact O-N 3.3Å
295Y94.8Very high92.4Very high165 Ų16564.3 Ų64.365%0.64732%0.321SS*.THydrogen-bonded Turntrans-99-4.7177.6-65-74.5000113R168 L291 P292 M293R168-Y295 PolarHBondContact NH2-OH 2.9Å; L291-Y295 WeakPolarHBondContact O-CD2 3.49Å; P292-Y295 PolarHBondContact O-N 3.06Å; P292-Y295 VanDerWaalsContact O-N 3.13Å; M293-Y295 PolarHBondContact O-N 3.04Å
296M94.2Very high92.3Very high84 Ų8469.5 Ų69.541%0.41435%0.348SS..SBendtrans-73.9152.4176.9-66.4-179.471.600110.5P292 M293 T298 L300P292-M296 PolarHBondContact O-N 3.39Å; M293-M296 HydrophobicContact CG-SD 4.45Å; M293-M296 WeakPolarHBondContact O-CB 3.15Å; M293-M296 PolarHBondContact O-N 3.1Å; M293-M296 VanDerWaalsContact O-N 3.11Å; M296-T298 PolarHBondContact O-N 3.33Å; M296-L300 HydrophobicContact CE-CB 3.87Å; M296-L300 HydrophobicContact CE-CD1 3.75Å; M296-L300 HydrophobicContact CE-CG 4.29Å
297P95.4Very high92.1Very high68 Ų6879 Ų7944%0.44238%0.384SS..  trans-50.1135.6167.5-27.533.4000111.9W299 L300 S301P297-W299 HydrophobicContact CB-CG 4.46Å; P297-W299 PolarHBondContact O-N 2.96Å; P297-W299 VanDerWaalsContact O-N 3.12Å; P297-L300 HydrophobicContact CB-CD1 4.45Å; P297-L300 HydrophobicContact CG-CD1 4.22Å; P297-L300 WeakPolarHBondContact O-CB 3.42Å; P297-L300 PolarHBondContact O-N 3.49Å; P297-S301 PolarHBondContact O-N 2.96Å
298T91.9Very high91.6Very high95 Ų9579.3 Ų79.358%0.58338%0.383SS*.Hα-helixtrans-53-38.5-174.5-53.50000113.2M296 L300 S301 D302M296-T298 PolarHBondContact O-N 3.33Å; T298-L300 VanDerWaalsContact C-N 3.25Å; T298-L300 PolarHBondContact O-N 3.32Å; T298-S301 WeakPolarHBondContact CA-OG 3.22Å; T298-S301 PolarHBondContact O-N 2.84Å; T298-S301 PolarHBondContact O-OG 2.99Å; T298-D302 WeakPolarHBondContact CG2-OD2 3.33Å; T298-D302 VanDerWaalsContact O-CB 3.24Å; T298-D302 WeakPolarHBondContact O-CB 3.44Å; T298-D302 PolarHBondContact O-N 3.48Å
299W92.9Very high91.2Very high183 Ų18373.6 Ų73.669%0.69336%0.362SS*.Hα-helixtrans-62.8-29.2178.869-94.4000113.6P297 G303P297-W299 HydrophobicContact CB-CG 4.46Å; P297-W299 PolarHBondContact O-N 2.96Å; P297-W299 VanDerWaalsContact O-N 3.12Å; W299-G303 PolarHBondContact O-N 2.91Å
300L92.5Very high91Very high63 Ų6372.9 Ų72.933%0.3336%0.36SS..Hα-helixtrans-75.8-45.9175.9-78.2167.1000111.4M296 P297 T298 D302 F304M296-L300 HydrophobicContact CE-CB 3.87Å; M296-L300 HydrophobicContact CE-CD1 3.75Å; M296-L300 HydrophobicContact CE-CG 4.29Å; P297-L300 HydrophobicContact CB-CD1 4.45Å; P297-L300 HydrophobicContact CG-CD1 4.22Å; P297-L300 WeakPolarHBondContact O-CB 3.42Å; P297-L300 PolarHBondContact O-N 3.49Å; T298-L300 VanDerWaalsContact C-N 3.25Å; T298-L300 PolarHBondContact O-N 3.32Å; L300-D302 VanDerWaalsContact C-N 3.34Å; L300-F304 PolarHBondContact O-N 2.97Å
301S91.4Very high90.8Very high11 Ų1177.7 Ų77.78%0.07738%0.382CS..Hα-helixtrans-63.9-42.7176.753.90000111.1P297 T298 F304 F305P297-S301 PolarHBondContact O-N 2.96Å; T298-S301 WeakPolarHBondContact CA-OG 3.22Å; T298-S301 PolarHBondContact O-N 2.84Å; T298-S301 PolarHBondContact O-OG 2.99Å; S301-F304 WeakPolarHBondContact O-CB 3.18Å; S301-F304 PolarHBondContact O-N 3.15Å; S301-F305 WeakPolarHBondContact O-CD2 3.42Å; S301-F305 WeakPolarHBondContact O-CG 2.86Å; S301-F305 PolarHBondContact O-N 3.32Å
302D90.1Very high90.7Very high74 Ų7478.5 Ų78.540%0.39639%0.389SS..Hα-helixtrans-68.2-42.3179.9-69.44.3000110.8T298 L300 F304 F305 L306T298-D302 WeakPolarHBondContact CG2-OD2 3.33Å; T298-D302 VanDerWaalsContact O-CB 3.24Å; T298-D302 WeakPolarHBondContact O-CB 3.44Å; T298-D302 PolarHBondContact O-N 3.48Å; L300-D302 VanDerWaalsContact C-N 3.34Å; D302-F304 VanDerWaalsContact C-N 3.27Å; D302-F304 PolarHBondContact O-N 3.29Å; D302-F305 PolarHBondContact O-N 3.07Å; D302-F305 VanDerWaalsContact O-N 3.17Å; D302-L306 VanDerWaalsContact O-CB 3.31Å; D302-L306 WeakPolarHBondContact O-CB 3.34Å; D302-L306 VanDerWaalsContact O-CG 3.24Å; D302-L306 WeakPolarHBondContact O-CG 3.49Å; D302-L306 PolarHBondContact O-N 3.47Å
303G90.5Very high90.5Very high40 Ų4083.4 Ų83.441%0.41240%0.404SS..Hα-helixtrans-57.7-39.9172.900000112.5W299 R307W299-G303 PolarHBondContact O-N 2.91Å; G303-R307 WeakPolarHBondContact O-CB 3.36Å; G303-R307 PolarHBondContact O-N 3.11Å; G303-R307 VanDerWaalsContact O-N 3.16Å
304F90.3Very high90.3Very high79 Ų7985.6 Ų85.635%0.34642%0.424SS..Hα-helixtrans-63.8-51172.7179.7-92.1000111.3M293 L300 S301 D302 L306 R307 Y308M293-F304 HydrophobicContact CE-CD1 3.69Å; M293-F304 HydrophobicContact CE-CD2 4.43Å; M293-F304 HydrophobicContact CE-CE1 3.83Å; M293-F304 HydrophobicContact CE-CG 4.03Å; M293-F304 HydrophobicContact CE-CZ 4.27Å; M293-F304 HydrophobicContact SD-CD1 4.02Å; M293-F304 HydrophobicContact SD-CE1 4.44Å; L300-F304 PolarHBondContact O-N 2.97Å; S301-F304 WeakPolarHBondContact O-CB 3.18Å; S301-F304 PolarHBondContact O-N 3.15Å; D302-F304 VanDerWaalsContact C-N 3.27Å; D302-F304 PolarHBondContact O-N 3.29Å; F304-L306 PolarHBondContact O-N 2.88Å; F304-R307 PolarHBondContact O-N 3.13Å; F304-Y308 HydrophobicContact CD1-CD2 4.37Å; F304-Y308 HydrophobicContact CD2-CD2 4.02Å; F304-Y308 AromaticContact CD2-CE2 3.64Å; F304-Y308 HydrophobicContact CD2-CE2 3.64Å; F304-Y308 HydrophobicContact CE1-CD2 4.2Å; F304-Y308 AromaticContact CE2-CD2 3.84Å; F304-Y308 HydrophobicContact CE2-CD2 3.84Å; F304-Y308 AromaticContact CE2-CE2 3.39Å; F304-Y308 HydrophobicContact CE2-CE2 3.39Å; F304-Y308 HydrophobicContact CG-CD2 4.29Å; F304-Y308 HydrophobicContact CG-CE2 4.34Å; F304-Y308 AromaticContact CZ-CD2 3.92Å; F304-Y308 HydrophobicContact CZ-CD2 3.92Å; F304-Y308 AromaticContact CZ-CE2 3.89Å; F304-Y308 HydrophobicContact CZ-CE2 3.89Å; F304-Y308 WeakPolarHBondContact O-CD2 3.48Å; F304-Y308 PolarHBondContact O-N 3.35Å
305F88.3Confident90Very high22 Ų2286.5 Ų86.510%0.09643%0.43CS..Hα-helixtrans-64-42.3-178.3-63.2-44.2000113.5I169 P171 W290 M293 S301 D302 R307 Y308 S309I169-F305 HydrophobicContact CD1-CE2 3.86Å; I169-F305 HydrophobicContact CD1-CZ 3.59Å; I169-F305 HydrophobicContact CG1-CE2 4.1Å; I169-F305 HydrophobicContact CG1-CZ 4.04Å; P171-F305 HydrophobicContact CB-CD1 3.81Å; P171-F305 HydrophobicContact CB-CE1 3.4Å; P171-F305 VanDerWaalsContact CB-CE1 3.4Å; P171-F305 HydrophobicContact CB-CE2 4.14Å; P171-F305 HydrophobicContact CB-CG 4.38Å; P171-F305 HydrophobicContact CB-CZ 3.58Å; W290-F305 AromaticContact CZ3-CE1 3.91Å; W290-F305 HydrophobicContact CZ3-CE1 3.91Å; W290-F305 HydrophobicContact CZ3-CZ 4.22Å; M293-F305 HydrophobicContact SD-CE1 3.76Å; M293-F305 HydrophobicContact SD-CE2 4.29Å; M293-F305 HydrophobicContact SD-CZ 3.44Å; M293-F305 WeakPolarHBondContact SD-CZ 3.46Å; S301-F305 WeakPolarHBondContact O-CD2 3.42Å; S301-F305 WeakPolarHBondContact O-CG 2.86Å; S301-F305 PolarHBondContact O-N 3.32Å; D302-F305 PolarHBondContact O-N 3.07Å; D302-F305 VanDerWaalsContact O-N 3.17Å; F305-R307 VanDerWaalsContact C-N 3.32Å; F305-R307 PolarHBondContact O-N 3.46Å; F305-Y308 PolarHBondContact O-N 2.55Å; F305-S309 VanDerWaalsContact O-CB 3.29Å; F305-S309 WeakPolarHBondContact O-CB 3.29Å; F305-S309 PolarHBondContact O-N 2.94Å; F305-S309 PolarHBondContact O-OG 3.14Å
306L87.7Confident89.6Confident110 Ų11085.6 Ų85.658%0.57644%0.442SS*.Hα-helixtrans-65.2-35.1178.1-69.4172.3000111.9D302 F304 Y308D302-L306 VanDerWaalsContact O-CB 3.31Å; D302-L306 WeakPolarHBondContact O-CB 3.34Å; D302-L306 VanDerWaalsContact O-CG 3.24Å; D302-L306 WeakPolarHBondContact O-CG 3.49Å; D302-L306 PolarHBondContact O-N 3.47Å; F304-L306 PolarHBondContact O-N 2.88Å; L306-Y308 VanDerWaalsContact C-N 3.3Å; L306-Y308 PolarHBondContact O-N 3.44Å
307R86.9Confident88.7Confident199 Ų19989.1 Ų89.175%0.75146%0.46SS*.Hα-helixtrans-63.6-34.2176.8-177.6176.3-177.6110.71.6113.1G303 F304 F305G303-R307 WeakPolarHBondContact O-CB 3.36Å; G303-R307 PolarHBondContact O-N 3.11Å; G303-R307 VanDerWaalsContact O-N 3.16Å; F304-R307 PolarHBondContact O-N 3.13Å; F305-R307 VanDerWaalsContact C-N 3.32Å; F305-R307 PolarHBondContact O-N 3.46Å
308Y82.8Confident88.3Confident123 Ų12390.2 Ų90.248%0.48246%0.461SS..Hα-helixtrans-104.2-2.6-174.6-66.8-72.3000114Q247 R251 F304 F305 L306Q247-Y308 PolarHBondContact NE2-O 3.36Å; Q247-Y308 PolarHBondContact OE1-O 3.13Å; R251-Y308 VanDerWaalsContact NH2-C 3.35Å; R251-Y308 PolarHBondContact NH2-O 2.99Å; F304-Y308 HydrophobicContact CD1-CD2 4.37Å; F304-Y308 HydrophobicContact CD2-CD2 4.02Å; F304-Y308 AromaticContact CD2-CE2 3.64Å; F304-Y308 HydrophobicContact CD2-CE2 3.64Å; F304-Y308 HydrophobicContact CE1-CD2 4.2Å; F304-Y308 AromaticContact CE2-CD2 3.84Å; F304-Y308 HydrophobicContact CE2-CD2 3.84Å; F304-Y308 AromaticContact CE2-CE2 3.39Å; F304-Y308 HydrophobicContact CE2-CE2 3.39Å; F304-Y308 HydrophobicContact CG-CD2 4.29Å; F304-Y308 HydrophobicContact CG-CE2 4.34Å; F304-Y308 AromaticContact CZ-CD2 3.92Å; F304-Y308 HydrophobicContact CZ-CD2 3.92Å; F304-Y308 AromaticContact CZ-CE2 3.89Å; F304-Y308 HydrophobicContact CZ-CE2 3.89Å; F304-Y308 WeakPolarHBondContact O-CD2 3.48Å; F304-Y308 PolarHBondContact O-N 3.35Å; F305-Y308 PolarHBondContact O-N 2.55Å; L306-Y308 VanDerWaalsContact C-N 3.3Å; L306-Y308 PolarHBondContact O-N 3.44Å
309S84.9Confident88.2Confident38 Ų3889.9 Ų89.927%0.26646%0.455SS..SBendtrans-89.9148.5178.5-62.80000111.1F305F305-S309 VanDerWaalsContact O-CB 3.29Å; F305-S309 WeakPolarHBondContact O-CB 3.29Å; F305-S309 PolarHBondContact O-N 2.94Å; F305-S309 PolarHBondContact O-OG 3.14Å
310P86.9Confident87.9Confident25 Ų2584.7 Ų84.716%0.16244%0.442CS..PPolyproline II helixtrans-60.3142.7171.826.7-31.5000109.1F240 T243F240-P310 HydrophobicContact CD2-CB 3.7Å; F240-P310 HydrophobicContact CD2-CG 3.86Å; F240-P310 HydrophobicContact CE1-CG 4.45Å; F240-P310 HydrophobicContact CE2-CB 3.93Å; F240-P310 HydrophobicContact CE2-CG 3.6Å; F240-P310 WeakPolarHBondContact CE2-O 3.14Å; F240-P310 HydrophobicContact CG-CB 4.28Å; F240-P310 HydrophobicContact CG-CG 4.42Å; F240-P310 HydrophobicContact CZ-CG 3.91Å; T243-P310 HydrophobicContact CG2-CB 3.95Å
311K88.9Confident87.6Confident120 Ų12086 Ų8652%0.52245%0.448SS..PPolyproline II helixtrans-92.4130.2178.3-70.1-172.1172.4-167.20110I317K311-I317 WeakPolarHBondContact CD-O 3.05Å; K311-I317 WeakPolarHBondContact CE-O 3.36Å; K311-I317 PolarHBondContact NZ-O 3.17Å; K311-I317 PolarHBondContact NZ-OXT 2.92Å
312P90.8Very high87.4Confident44 Ų4490.7 Ų90.729%0.28647%0.471SS..PPolyproline II helixtrans-55.9151.9168.7-25.535.7000111.2Y236 F240 A314 S315Y236-P312 HydrophobicContact CD1-CB 4.32Å; Y236-P312 HydrophobicContact CD1-CG 4.14Å; Y236-P312 HydrophobicContact CE1-CG 4.2Å; F240-P312 HydrophobicContact CD2-CG 4.26Å; F240-P312 HydrophobicContact CE2-CG 4.11Å; P312-A314 VanDerWaalsContact C-N 3.25Å; P312-A314 PolarHBondContact O-N 2.99Å; P312-S315 WeakPolarHBondContact O-CB 3.47Å; P312-S315 PolarHBondContact O-N 3.06Å
313K91.5Very high87.2Confident164 Ų16491.8 Ų91.871%0.71348%0.477SS*.THydrogen-bonded Turntrans-59.4-36.8175.3-177.3-179.1171.7-165.90112.2D235 Y236 S315D235-K313 PolarHBondContact O-N 3.48Å; Y236-K313 PolarHBondContact O-N 3.23Å; K313-S315 PolarHBondContact O-N 2.97Å
314A90.3Very high87Confident60 Ų6095.5 Ų95.550%0.49648%0.481SS..THydrogen-bonded Turntrans-82.712.4175.800000113.9D235 P312 V316D235-A314 HydrophobicContact CB-CB 4.32Å; D235-A314 PolarHBondContact O-N 2.81Å; P312-A314 VanDerWaalsContact C-N 3.25Å; P312-A314 PolarHBondContact O-N 2.99Å; A314-V316 PolarHBondContact O-N 2.85Å
315S87.9Confident86.7Confident49 Ų4996.8 Ų96.834%0.34349%0.491SS..  trans-60.1132.5179.2-175.30000112P312 K313 I317P312-S315 WeakPolarHBondContact O-CB 3.47Å; P312-S315 PolarHBondContact O-N 3.06Å; K313-S315 PolarHBondContact O-N 2.97Å; S315-I317 PolarHBondContact OG-N 3.24Å; S315-I317 PolarHBondContact OG-O 2.87Å
316V85.8Confident86.6Confident147 Ų147103 Ų10389%0.89152%0.524SS*.  trans-95.72.4173.7-60.80000113.4A314A314-V316 PolarHBondContact O-N 2.85Å
317I74.6Confident86.5Confident157 Ų157102.4 Ų102.481%0.80552%0.52SS*.  trans-119.50179.7-50.4172.1000109.1K311 S315K311-I317 WeakPolarHBondContact CD-O 3.05Å; K311-I317 WeakPolarHBondContact CE-O 3.36Å; K311-I317 PolarHBondContact NZ-O 3.17Å; K311-I317 PolarHBondContact NZ-OXT 2.92Å; S315-I317 PolarHBondContact OG-N 3.24Å; S315-I317 PolarHBondContact OG-O 2.87Å

Retrieved 317 of 317 residues in 235.8 ms (Link to these results)

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