A0A077Z1D3_TRITR Loading...

Trehalase

AlphaFold DB , UniProt , Accession A0A077Z1D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 529 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M90.2Very high95.3Very high99 Ų9967.2 Ų67.249%0.48835%0.351SS..  01480-65.6176.4-68.500107.9V31 F35 N36 P38M1-V31 HydrophobicContact CE-CG1 3.83Å; M1-V31 HydrophobicContact SD-CG1 3.89Å; M1-F35 HydrophobicContact CB-CB 3.9Å; M1-F35 HydrophobicContact CB-CD1 3.87Å; M1-F35 HydrophobicContact CB-CG 4.27Å; M1-F35 HydrophobicContact CE-CB 4.34Å; M1-F35 HydrophobicContact CE-CD1 4.34Å; M1-F35 HydrophobicContact CE-CG 4.23Å; M1-F35 HydrophobicContact SD-CB 4Å; M1-N36 WeakPolarHBondContact CB-O 3.41Å; M1-P38 HydrophobicContact CG-CG 3.76Å; M1-P38 HydrophobicContact SD-CG 4.46Å
2S95Very high95.5Very high1 Ų173.2 Ų73.21%0.00737%0.372CS..  trans-85.3153.716957.10000110.2F35 N36 S40 L93S2-F35 CarbonylContact O-C 3.54Å; S2-F35 VanDerWaalsContact O-CA 3.31Å; S2-F35 WeakPolarHBondContact O-CA 3.39Å; S2-N36 PolarHBondContact O-N 3.47Å; S2-N36 WeakPolarHBondContact OG-CB 3.17Å; S2-N36 PolarHBondContact OG-ND2 3.15Å; S2-N36 VanDerWaalsContact OG-ND2 3.13Å; S2-S40 PolarHBondContact OG-OG 3.25Å; S2-L93 WeakPolarHBondContact CA-O 3.44Å
3L97Very high95.6Very high25 Ų2568.4 Ų68.413%0.13135%0.35CS..BIsolated β-bridgetrans-80.6143.5176.1-65.7167000110.3H5 C7 T10 F35 L93L3-H5 WeakPolarHBondContact CB-O 3.28Å; L3-C7 HydrophobicContact CD1-CB 4.16Å; L3-T10 HydrophobicContact CD2-CG2 3.94Å; L3-F35 HydrophobicContact CD2-CD1 3.87Å; L3-F35 HydrophobicContact CD2-CE1 3.35Å; L3-F35 HydrophobicContact CD2-CZ 3.79Å; L3-F35 HydrophobicContact CG-CE1 4.35Å; L3-L93 HydrophobicContact CB-CB 4.47Å; L3-L93 HydrophobicContact CB-CD2 4.31Å; L3-L93 PolarHBondContact N-O 3.07Å
4K96.8Very high95.7Very high88 Ų8868.1 Ų68.138%0.38335%0.345SS..SBendtrans-84.3-22168.9-71.8171.8168.2179.50112.8D32 D33 Y34 F35 N36K4-D32 PolarHBondContact NZ-O 3.22Å; K4-D33 WeakPolarHBondContact CD-O 3.41Å; K4-Y34 PolarHBondContact N-O 3.34Å; K4-F35 WeakPolarHBondContact CE-O 3.41Å; K4-N36 VanDerWaalsContact CE-OD1 3.27Å; K4-N36 WeakPolarHBondContact CE-OD1 3.49Å; K4-N36 WeakPolarHBondContact CG-OD1 3.48Å
5H95.4Very high95.8Very high86 Ų8673.6 Ų73.640%0.39837%0.366SS..SBendtrans-133169.1-176.6-60.5-68.2000110.4L3 E9 Y34 L93L3-H5 WeakPolarHBondContact CB-O 3.28Å; H5-E9 HydrophobicContact CB-CB 4.16Å; H5-Y34 AromaticContact CD2-CD1 3.67Å; H5-Y34 AromaticContact CD2-CE1 3.89Å; H5-L93 WeakPolarHBondContact O-CD2 3.49Å
6S94.8Very high95.8Very high47 Ų4778 Ų7833%0.32939%0.385SS..  trans-60.4151.7176.868.30000111.4N8 E9 T10S6-N8 PolarHBondContact O-N 2.85Å; S6-N8 VanDerWaalsContact O-N 3.15Å; S6-E9 WeakPolarHBondContact CB-OE2 3.39Å; S6-E9 PolarHBondContact N-OE2 2.85Å; S6-E9 PolarHBondContact O-N 3.5Å; S6-E9 WeakPolarHBondContact OG-CB 3.4Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.42Å; S6-E9 PolarHBondContact OG-N 3.03Å; S6-E9 PolarHBondContact OG-OE2 3.45Å; S6-T10 PolarHBondContact O-N 3.2Å; S6-T10 PolarHBondContact O-OG1 3.45Å
7C93.5Very high95.8Very high68 Ų6876.4 Ų76.446%0.45938%0.378SS..Hα-helixtrans-53.3-39.3178.9-177.70000112.4L3 T10 L11L3-C7 HydrophobicContact CD1-CB 4.16Å; C7-T10 PolarHBondContact O-N 2.85Å; C7-L11 WeakPolarHBondContact O-CB 3.4Å; C7-L11 VanDerWaalsContact O-CG 3.27Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 3.45Å
8N96Very high95.8Very high132 Ų13274.4 Ų74.471%0.70638%0.38SS*.Hα-helixtrans-66.2-41.6178.4-76.3-18.1000113S6 K12S6-N8 PolarHBondContact O-N 2.85Å; S6-N8 VanDerWaalsContact O-N 3.15Å; N8-K12 VanDerWaalsContact O-CB 3.24Å; N8-K12 WeakPolarHBondContact O-CB 3.44Å; N8-K12 PolarHBondContact O-N 2.95Å
9E96.7Very high95.8Very high108 Ų10878 Ų7851%0.50540%0.401SS..Hα-helixtrans-65.3-46.6176.8-73165146.500110.8H5 S6 L11 K12 A13H5-E9 HydrophobicContact CB-CB 4.16Å; S6-E9 WeakPolarHBondContact CB-OE2 3.39Å; S6-E9 PolarHBondContact N-OE2 2.85Å; S6-E9 PolarHBondContact O-N 3.5Å; S6-E9 WeakPolarHBondContact OG-CB 3.4Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.42Å; S6-E9 PolarHBondContact OG-N 3.03Å; S6-E9 PolarHBondContact OG-OE2 3.45Å; E9-L11 PolarHBondContact O-N 2.95Å; E9-K12 PolarHBondContact O-N 3.47Å; E9-A13 WeakPolarHBondContact O-CB 3.12Å; E9-A13 PolarHBondContact O-N 3.3Å
10T96.8Very high95.8Very high7 Ų776.5 Ų76.54%0.04340%0.4CS..Hα-helixtrans-60.6-46.7177.6-57.50000111.5L3 S6 C7 K12 A13 F14 F30 Y34 F35L3-T10 HydrophobicContact CD2-CG2 3.94Å; S6-T10 PolarHBondContact O-N 3.2Å; S6-T10 PolarHBondContact O-OG1 3.45Å; C7-T10 PolarHBondContact O-N 2.85Å; T10-K12 PolarHBondContact O-N 3.49Å; T10-A13 PolarHBondContact O-N 3.49Å; T10-F14 WeakPolarHBondContact O-CB 3.34Å; T10-F14 PolarHBondContact O-N 3.11Å; T10-F30 HydrophobicContact CG2-CE1 4.37Å; T10-F30 HydrophobicContact CG2-CZ 3.93Å; T10-F30 WeakPolarHBondContact O-CZ 3.39Å; T10-Y34 HydrophobicContact CG2-CD1 4.04Å; T10-Y34 HydrophobicContact CG2-CG 4.24Å; T10-F35 HydrophobicContact CG2-CE2 4.12Å; T10-F35 HydrophobicContact CG2-CZ 4.08Å
11L96.5Very high95.6Very high78 Ų7875.2 Ų75.241%0.40839%0.393SS..Hα-helixtrans-64.2-41.8177.8-75.2173.8000112.1C7 E9 A13 F14 F15C7-L11 WeakPolarHBondContact O-CB 3.4Å; C7-L11 VanDerWaalsContact O-CG 3.27Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 3.45Å; E9-L11 PolarHBondContact O-N 2.95Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 2.99Å; L11-F14 PolarHBondContact O-N 3.34Å; L11-F15 HydrophobicContact CB-CE2 4.21Å; L11-F15 HydrophobicContact CD2-CE2 4.47Å; L11-F15 WeakPolarHBondContact O-CD2 3.44Å; L11-F15 WeakPolarHBondContact O-CG 3.46Å; L11-F15 PolarHBondContact O-N 2.96Å
12K97.5Very high95.8Very high139 Ų13976.9 Ų76.960%0.60440%0.404SS*.Hα-helixtrans-60.8-45.5176.5-177.2-177.9177.1-173.90111.1N8 E9 T10 F15 Q16N8-K12 VanDerWaalsContact O-CB 3.24Å; N8-K12 WeakPolarHBondContact O-CB 3.44Å; N8-K12 PolarHBondContact O-N 2.95Å; E9-K12 PolarHBondContact O-N 3.47Å; T10-K12 PolarHBondContact O-N 3.49Å; K12-F15 PolarHBondContact O-N 3.26Å; K12-Q16 VanDerWaalsContact O-CG 3.3Å; K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.33Å; K12-Q16 VanDerWaalsContact O-N 3.11Å
13A97.3Very high95.9Very high11 Ų1180.7 Ų80.79%0.09143%0.425CS..Hα-helixtrans-63.9-41.5176.900000111.8E9 T10 L11 F15 Q16 L17 F30 Y34E9-A13 WeakPolarHBondContact O-CB 3.12Å; E9-A13 PolarHBondContact O-N 3.3Å; T10-A13 PolarHBondContact O-N 3.49Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 2.99Å; A13-F15 PolarHBondContact O-N 2.95Å; A13-Q16 WeakPolarHBondContact O-CB 3.45Å; A13-Q16 PolarHBondContact O-N 3.4Å; A13-L17 PolarHBondContact O-N 3.39Å; A13-F30 HydrophobicContact CB-CE2 3.85Å; A13-Y34 HydrophobicContact CB-CD1 4.44Å; A13-Y34 HydrophobicContact CB-CE1 3.55Å; A13-Y34 HydrophobicContact CB-CE2 4.07Å; A13-Y34 WeakPolarHBondContact CB-OH 3.26Å
14F96.6Very high95.8Very high65 Ų6587.4 Ų87.429%0.28546%0.455SS..Hα-helixtrans-58.6-48.9175.4-177-103.6000111.7T10 L11 Q16 L17 I21 L27 F30T10-F14 WeakPolarHBondContact O-CB 3.34Å; T10-F14 PolarHBondContact O-N 3.11Å; L11-F14 PolarHBondContact O-N 3.34Å; F14-Q16 VanDerWaalsContact C-N 3.26Å; F14-Q16 PolarHBondContact O-N 3.07Å; F14-L17 WeakPolarHBondContact O-CB 3.26Å; F14-L17 PolarHBondContact O-N 3.46Å; F14-I21 HydrophobicContact CE2-CG2 4.13Å; F14-I21 HydrophobicContact CZ-CD1 4.16Å; F14-I21 HydrophobicContact CZ-CG2 4.36Å; F14-L27 HydrophobicContact CE2-CD1 4.27Å; F14-F30 HydrophobicContact CB-CE1 4.03Å; F14-F30 HydrophobicContact CB-CE2 4.09Å; F14-F30 HydrophobicContact CB-CZ 3.54Å; F14-F30 HydrophobicContact CD2-CD1 4.01Å; F14-F30 AromaticContact CD2-CE1 3.67Å; F14-F30 HydrophobicContact CD2-CE1 3.67Å; F14-F30 HydrophobicContact CD2-CZ 4.03Å; F14-F30 HydrophobicContact CG-CE1 4.3Å; F14-F30 HydrophobicContact CG-CZ 4.28Å
15F96.5Very high95.9Very high150 Ų15090.2 Ų90.266%0.65847%0.47SS*.Hα-helixtrans-67.3-25.1179.9-67.8-51.1000113.5L11 K12 A13 L17 G18L11-F15 HydrophobicContact CB-CE2 4.21Å; L11-F15 HydrophobicContact CD2-CE2 4.47Å; L11-F15 WeakPolarHBondContact O-CD2 3.44Å; L11-F15 WeakPolarHBondContact O-CG 3.46Å; L11-F15 PolarHBondContact O-N 2.96Å; K12-F15 PolarHBondContact O-N 3.26Å; A13-F15 PolarHBondContact O-N 2.95Å; F15-L17 VanDerWaalsContact C-N 3.26Å; F15-L17 PolarHBondContact O-N 2.99Å; F15-G18 PolarHBondContact O-N 2.87Å
16Q96.7Very high95.9Very high144 Ų14488.2 Ų88.267%0.67346%0.464SS*.Hα-helixtrans-69.6-21.4175.3-77.3174.3-14.200113.3K12 A13 F14 G18K12-Q16 VanDerWaalsContact O-CG 3.3Å; K12-Q16 WeakPolarHBondContact O-CG 3.35Å; K12-Q16 PolarHBondContact O-N 3.33Å; K12-Q16 VanDerWaalsContact O-N 3.11Å; A13-Q16 WeakPolarHBondContact O-CB 3.45Å; A13-Q16 PolarHBondContact O-N 3.4Å; F14-Q16 VanDerWaalsContact C-N 3.26Å; F14-Q16 PolarHBondContact O-N 3.07Å; Q16-G18 VanDerWaalsContact C-N 3.25Å; Q16-G18 PolarHBondContact O-N 3.34Å
17L96Very high96Very high51 Ų5189.3 Ų89.327%0.26747%0.465SS..THydrogen-bonded Turntrans-68.7-24.3176.3-65.3173.9000112.6A13 F14 F15 D19 A20 I21 V26 F30A13-L17 PolarHBondContact O-N 3.39Å; F14-L17 WeakPolarHBondContact O-CB 3.26Å; F14-L17 PolarHBondContact O-N 3.46Å; F15-L17 VanDerWaalsContact C-N 3.26Å; F15-L17 PolarHBondContact O-N 2.99Å; L17-D19 PolarHBondContact O-N 2.97Å; L17-A20 WeakPolarHBondContact O-CB 3.49Å; L17-A20 PolarHBondContact O-N 2.64Å; L17-A20 VanDerWaalsContact O-N 3.09Å; L17-I21 HydrophobicContact CB-CG2 3.44Å; L17-I21 VanDerWaalsContact CB-CG2 3.44Å; L17-I21 HydrophobicContact CD1-CG2 3.91Å; L17-I21 HydrophobicContact CG-CG2 4.33Å; L17-V26 HydrophobicContact CD1-CG1 4.4Å; L17-V26 HydrophobicContact CD2-CG1 4.03Å; L17-F30 HydrophobicContact CD1-CB 3.86Å; L17-F30 HydrophobicContact CD1-CD2 3.58Å; L17-F30 HydrophobicContact CD1-CE2 4.33Å; L17-F30 HydrophobicContact CD1-CG 3.76Å; L17-F30 HydrophobicContact CG-CD2 4.5Å
18G95.6Very high96.1Very high40 Ų4089 Ų8941%0.41246%0.464SS..G310 helixtrans53.9-132.8179.800000112.2F15 Q16 A20 I21F15-G18 PolarHBondContact O-N 2.87Å; Q16-G18 VanDerWaalsContact C-N 3.25Å; Q16-G18 PolarHBondContact O-N 3.34Å; G18-A20 PolarHBondContact O-N 3.09Å; G18-I21 VanDerWaalsContact O-CG1 3.3Å; G18-I21 WeakPolarHBondContact O-CG1 3.27Å; G18-I21 WeakPolarHBondContact O-CG2 3.48Å; G18-I21 PolarHBondContact O-N 3.07Å
19D95.4Very high96.2Very high143 Ų14386 Ų8677%0.76545%0.451SS*.G310 helixtrans-69.3-13.8-179.6-65.7-36.4000114.1L17 I21 N22L17-D19 PolarHBondContact O-N 2.97Å; D19-I21 PolarHBondContact O-N 3.48Å; D19-N22 WeakPolarHBondContact O-CB 3.5Å; D19-N22 PolarHBondContact O-N 3.18Å; D19-N22 PolarHBondContact O-ND2 3.08Å
20A95.6Very high96.2Very high47 Ų4781.6 Ų81.639%0.38843%0.43SS..G310 helixtrans-65.1-19.7179.400000112.6L17 G18 N22 N23 V26L17-A20 WeakPolarHBondContact O-CB 3.49Å; L17-A20 PolarHBondContact O-N 2.64Å; L17-A20 VanDerWaalsContact O-N 3.09Å; G18-A20 PolarHBondContact O-N 3.09Å; A20-N22 PolarHBondContact O-N 2.94Å; A20-N22 VanDerWaalsContact O-N 3.13Å; A20-N23 WeakPolarHBondContact O-CB 3.38Å; A20-N23 PolarHBondContact O-N 3.42Å; A20-V26 HydrophobicContact CB-CG1 4.17Å
21I92.7Very high96.2Very high51 Ų5183.3 Ų83.326%0.26244%0.44SS..G310 helixtrans-60.1-20.4174.869.2-177.3000113.3F14 L17 G18 D19 N23F14-I21 HydrophobicContact CE2-CG2 4.13Å; F14-I21 HydrophobicContact CZ-CD1 4.16Å; F14-I21 HydrophobicContact CZ-CG2 4.36Å; L17-I21 HydrophobicContact CB-CG2 3.44Å; L17-I21 VanDerWaalsContact CB-CG2 3.44Å; L17-I21 HydrophobicContact CD1-CG2 3.91Å; L17-I21 HydrophobicContact CG-CG2 4.33Å; G18-I21 VanDerWaalsContact O-CG1 3.3Å; G18-I21 WeakPolarHBondContact O-CG1 3.27Å; G18-I21 WeakPolarHBondContact O-CG2 3.48Å; G18-I21 PolarHBondContact O-N 3.07Å; D19-I21 PolarHBondContact O-N 3.48Å; I21-N23 PolarHBondContact O-N 3.42Å
22N93.9Very high96.2Very high133 Ų13384.3 Ų84.371%0.71145%0.446SS*.G310 helixtrans-74.9-10.4176.7-62.6-55000112.5D19 A20D19-N22 WeakPolarHBondContact O-CB 3.5Å; D19-N22 PolarHBondContact O-N 3.18Å; D19-N22 PolarHBondContact O-ND2 3.08Å; A20-N22 PolarHBondContact O-N 2.94Å; A20-N22 VanDerWaalsContact O-N 3.13Å
23N96.5Very high96.1Very high82 Ų8282.1 Ų82.144%0.43944%0.441SS..SBendtrans-87.3121169.1-176.6-36000109.2A20 I21 E25 V26 L27A20-N23 WeakPolarHBondContact O-CB 3.38Å; A20-N23 PolarHBondContact O-N 3.42Å; I21-N23 PolarHBondContact O-N 3.42Å; N23-E25 VanDerWaalsContact C-N 3.3Å; N23-E25 PolarHBondContact O-N 2.83Å; N23-E25 WeakPolarHBondContact OD1-CB 3.47Å; N23-E25 PolarHBondContact OD1-N 3.33Å; N23-V26 HydrophobicContact CB-CB 4.2Å; N23-V26 HydrophobicContact CB-CG2 3.93Å; N23-V26 PolarHBondContact O-N 3.11Å; N23-L27 PolarHBondContact O-N 3.4Å
24E96Very high96.2Very high165 Ų16584.4 Ų84.477%0.77145%0.447SS*.Hα-helixtrans-58.7-37.1-178.3-172.1175.1-176.100113.2L27 S28E24-L27 PolarHBondContact O-N 3.33Å; E24-S28 WeakPolarHBondContact O-CB 3.25Å; E24-S28 PolarHBondContact O-N 3.43Å
25E97Very high96.2Very high147 Ų14783.6 Ų83.669%0.68744%0.444SS*.Hα-helixtrans-66.2-44.1178.3-172.5177.6-171.900111.1N23 L27 S28 T29N23-E25 VanDerWaalsContact C-N 3.3Å; N23-E25 PolarHBondContact O-N 2.83Å; N23-E25 WeakPolarHBondContact OD1-CB 3.47Å; N23-E25 PolarHBondContact OD1-N 3.33Å; E25-L27 PolarHBondContact O-N 3.38Å; E25-S28 PolarHBondContact O-N 2.98Å; E25-T29 PolarHBondContact O-N 2.65Å; E25-T29 PolarHBondContact O-OG1 3.17Å; E25-T29 VanDerWaalsContact O-OG1 3.07Å
26V97.2Very high96.2Very high45 Ų4578.6 Ų78.627%0.27342%0.424SS..Hα-helixtrans-62.7-44.4176.7176.10000110.5L17 A20 N23 T29 F30L17-V26 HydrophobicContact CD1-CG1 4.4Å; L17-V26 HydrophobicContact CD2-CG1 4.03Å; A20-V26 HydrophobicContact CB-CG1 4.17Å; N23-V26 HydrophobicContact CB-CB 4.2Å; N23-V26 HydrophobicContact CB-CG2 3.93Å; N23-V26 PolarHBondContact O-N 3.11Å; V26-T29 PolarHBondContact O-N 3.37Å; V26-F30 WeakPolarHBondContact O-CB 3.44Å; V26-F30 PolarHBondContact O-N 3.19Å
27L96Very high96.1Very high70 Ų7076.1 Ų76.137%0.36642%0.421SS..Hα-helixtrans-64.9-42.4177.5-177.461000111.7F14 N23 E24 E25 F30 V31F14-L27 HydrophobicContact CE2-CD1 4.27Å; N23-L27 PolarHBondContact O-N 3.4Å; E24-L27 PolarHBondContact O-N 3.33Å; E25-L27 PolarHBondContact O-N 3.38Å; L27-F30 PolarHBondContact O-N 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.39Å; L27-V31 PolarHBondContact O-N 2.63Å
28S96.1Very high95.9Very high61 Ų6176.7 Ų76.743%0.42743%0.427SS..Hα-helixtrans-61-47.8176.3-169.30000111.1E24 E25 F30 V31 D32E24-S28 WeakPolarHBondContact O-CB 3.25Å; E24-S28 PolarHBondContact O-N 3.43Å; E25-S28 PolarHBondContact O-N 2.98Å; S28-F30 VanDerWaalsContact C-N 3.32Å; S28-F30 PolarHBondContact O-N 3.48Å; S28-V31 PolarHBondContact O-N 3.49Å; S28-D32 PolarHBondContact O-N 3.38Å
29T96.8Very high95.8Very high70 Ų7075.6 Ų75.643%0.42942%0.416SS..Hα-helixtrans-60.1-42.6176.1-60.10000111.3E25 V26 V31 D32 D33E25-T29 PolarHBondContact O-N 2.65Å; E25-T29 PolarHBondContact O-OG1 3.17Å; E25-T29 VanDerWaalsContact O-OG1 3.07Å; V26-T29 PolarHBondContact O-N 3.37Å; T29-V31 VanDerWaalsContact C-N 3.34Å; T29-V31 PolarHBondContact O-N 3.46Å; T29-D32 PolarHBondContact O-N 3.35Å; T29-D33 WeakPolarHBondContact O-CB 3.22Å; T29-D33 VanDerWaalsContact O-CG 3.3Å; T29-D33 PolarHBondContact O-N 3.44Å
30F97.5Very high95.7Very high14 Ų1470.5 Ų70.56%0.06139%0.391CS..Hα-helixtrans-60.2-44.1175.6178.6-93.4000112.2T10 A13 F14 L17 V26 L27 S28 D32 D33 Y34 F35T10-F30 HydrophobicContact CG2-CE1 4.37Å; T10-F30 HydrophobicContact CG2-CZ 3.93Å; T10-F30 WeakPolarHBondContact O-CZ 3.39Å; A13-F30 HydrophobicContact CB-CE2 3.85Å; F14-F30 HydrophobicContact CB-CE1 4.03Å; F14-F30 HydrophobicContact CB-CE2 4.09Å; F14-F30 HydrophobicContact CB-CZ 3.54Å; F14-F30 HydrophobicContact CD2-CD1 4.01Å; F14-F30 AromaticContact CD2-CE1 3.67Å; F14-F30 HydrophobicContact CD2-CE1 3.67Å; F14-F30 HydrophobicContact CD2-CZ 4.03Å; F14-F30 HydrophobicContact CG-CE1 4.3Å; F14-F30 HydrophobicContact CG-CZ 4.28Å; L17-F30 HydrophobicContact CD1-CB 3.86Å; L17-F30 HydrophobicContact CD1-CD2 3.58Å; L17-F30 HydrophobicContact CD1-CE2 4.33Å; L17-F30 HydrophobicContact CD1-CG 3.76Å; L17-F30 HydrophobicContact CG-CD2 4.5Å; V26-F30 WeakPolarHBondContact O-CB 3.44Å; V26-F30 PolarHBondContact O-N 3.19Å; L27-F30 PolarHBondContact O-N 3.25Å; S28-F30 VanDerWaalsContact C-N 3.32Å; S28-F30 PolarHBondContact O-N 3.48Å; F30-D32 VanDerWaalsContact C-N 3.35Å; F30-D33 PolarHBondContact O-N 2.56Å; F30-Y34 AromaticContact CD2-CD2 3.58Å; F30-Y34 HydrophobicContact CD2-CD2 3.58Å; F30-Y34 AromaticContact CD2-CE2 3.78Å; F30-Y34 HydrophobicContact CD2-CE2 3.78Å; F30-Y34 HydrophobicContact CD2-CG 4.41Å; F30-Y34 HydrophobicContact CE2-CD1 4.43Å; F30-Y34 AromaticContact CE2-CD2 3.43Å; F30-Y34 HydrophobicContact CE2-CD2 3.43Å; F30-Y34 VanDerWaalsContact CE2-CD2 3.43Å; F30-Y34 AromaticContact CE2-CE2 3.63Å; F30-Y34 HydrophobicContact CE2-CE2 3.63Å; F30-Y34 AromaticContact CE2-CG 3.88Å; F30-Y34 HydrophobicContact CE2-CG 3.88Å; F30-Y34 HydrophobicContact CG-CD2 4.25Å; F30-Y34 AromaticContact CZ-CD2 3.96Å; F30-Y34 HydrophobicContact CZ-CD2 3.96Å; F30-Y34 AromaticContact CZ-CG 3.98Å; F30-Y34 HydrophobicContact CZ-CG 3.98Å; F30-Y34 WeakPolarHBondContact O-CD2 3.39Å; F30-Y34 PolarHBondContact O-N 2.86Å; F30-F35 HydrophobicContact CE1-CE2 4.1Å
31V96.7Very high95.7Very high43 Ų4368.3 Ų68.326%0.26137%0.373SS..Hα-helixtrans-61-47.2176.6170.40000110.2M1 L27 S28 T29 D33 Y34 F35M1-V31 HydrophobicContact CE-CG1 3.83Å; M1-V31 HydrophobicContact SD-CG1 3.89Å; L27-V31 WeakPolarHBondContact O-CG2 3.39Å; L27-V31 PolarHBondContact O-N 2.63Å; S28-V31 PolarHBondContact O-N 3.49Å; T29-V31 VanDerWaalsContact C-N 3.34Å; T29-V31 PolarHBondContact O-N 3.46Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 2.94Å; V31-Y34 PolarHBondContact O-N 2.95Å; V31-F35 HydrophobicContact CG1-CD2 4.43Å; V31-F35 VanDerWaalsContact O-CB 3.32Å; V31-F35 WeakPolarHBondContact O-CB 3.5Å; V31-F35 PolarHBondContact O-N 3.2Å
32D96.2Very high95.9Very high99 Ų9966.8 Ų66.853%0.52937%0.365SS..Hα-helixtrans-63.4-35.7179.5-71.6-27000112.4K4 S28 T29 F30K4-D32 PolarHBondContact NZ-O 3.22Å; S28-D32 PolarHBondContact O-N 3.38Å; T29-D32 PolarHBondContact O-N 3.35Å; F30-D32 VanDerWaalsContact C-N 3.35Å
33D96.8Very high96Very high93 Ų9363.8 Ų63.850%0.49735%0.352SS..Hα-helixtrans-75.8-34.6-178.8-76.7-16000112.9K4 T29 F30 V31K4-D33 WeakPolarHBondContact CD-O 3.41Å; T29-D33 WeakPolarHBondContact O-CB 3.22Å; T29-D33 VanDerWaalsContact O-CG 3.3Å; T29-D33 PolarHBondContact O-N 3.44Å; F30-D33 PolarHBondContact O-N 2.56Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 2.94Å
34Y97.6Very high95.9Very high59 Ų5967 Ų6723%0.23136%0.364CS..Hα-helixtrans-108.5-11.9-170.6-73.8-95000115K4 H5 T10 A13 F30 V31K4-Y34 PolarHBondContact N-O 3.34Å; H5-Y34 AromaticContact CD2-CD1 3.67Å; H5-Y34 AromaticContact CD2-CE1 3.89Å; T10-Y34 HydrophobicContact CG2-CD1 4.04Å; T10-Y34 HydrophobicContact CG2-CG 4.24Å; A13-Y34 HydrophobicContact CB-CD1 4.44Å; A13-Y34 HydrophobicContact CB-CE1 3.55Å; A13-Y34 HydrophobicContact CB-CE2 4.07Å; A13-Y34 WeakPolarHBondContact CB-OH 3.26Å; F30-Y34 AromaticContact CD2-CD2 3.58Å; F30-Y34 HydrophobicContact CD2-CD2 3.58Å; F30-Y34 AromaticContact CD2-CE2 3.78Å; F30-Y34 HydrophobicContact CD2-CE2 3.78Å; F30-Y34 HydrophobicContact CD2-CG 4.41Å; F30-Y34 HydrophobicContact CE2-CD1 4.43Å; F30-Y34 AromaticContact CE2-CD2 3.43Å; F30-Y34 HydrophobicContact CE2-CD2 3.43Å; F30-Y34 VanDerWaalsContact CE2-CD2 3.43Å; F30-Y34 AromaticContact CE2-CE2 3.63Å; F30-Y34 HydrophobicContact CE2-CE2 3.63Å; F30-Y34 AromaticContact CE2-CG 3.88Å; F30-Y34 HydrophobicContact CE2-CG 3.88Å; F30-Y34 HydrophobicContact CG-CD2 4.25Å; F30-Y34 AromaticContact CZ-CD2 3.96Å; F30-Y34 HydrophobicContact CZ-CD2 3.96Å; F30-Y34 AromaticContact CZ-CG 3.98Å; F30-Y34 HydrophobicContact CZ-CG 3.98Å; F30-Y34 WeakPolarHBondContact O-CD2 3.39Å; F30-Y34 PolarHBondContact O-N 2.86Å; V31-Y34 PolarHBondContact O-N 2.95Å
35F97.7Very high95.9Very high49 Ų4960 Ų6022%0.21533%0.334CS..BIsolated β-bridgetrans-123.9146-180-62.6-94.8000111.5M1 S2 L3 K4 T10 F30 V31M1-F35 HydrophobicContact CB-CB 3.9Å; M1-F35 HydrophobicContact CB-CD1 3.87Å; M1-F35 HydrophobicContact CB-CG 4.27Å; M1-F35 HydrophobicContact CE-CB 4.34Å; M1-F35 HydrophobicContact CE-CD1 4.34Å; M1-F35 HydrophobicContact CE-CG 4.23Å; M1-F35 HydrophobicContact SD-CB 4Å; S2-F35 CarbonylContact O-C 3.54Å; S2-F35 VanDerWaalsContact O-CA 3.31Å; S2-F35 WeakPolarHBondContact O-CA 3.39Å; L3-F35 HydrophobicContact CD2-CD1 3.87Å; L3-F35 HydrophobicContact CD2-CE1 3.35Å; L3-F35 HydrophobicContact CD2-CZ 3.79Å; L3-F35 HydrophobicContact CG-CE1 4.35Å; K4-F35 WeakPolarHBondContact CE-O 3.41Å; T10-F35 HydrophobicContact CG2-CE2 4.12Å; T10-F35 HydrophobicContact CG2-CZ 4.08Å; F30-F35 HydrophobicContact CE1-CE2 4.1Å; V31-F35 HydrophobicContact CG1-CD2 4.43Å; V31-F35 VanDerWaalsContact O-CB 3.32Å; V31-F35 WeakPolarHBondContact O-CB 3.5Å; V31-F35 PolarHBondContact O-N 3.2Å
36N96.5Very high95.8Very high44 Ų4458.1 Ų58.124%0.23533%0.332CS..PPolyproline II helixtrans-84.5154.3168.7-62.1-61.6000110.8M1 S2 K4 S40M1-N36 WeakPolarHBondContact CB-O 3.41Å; S2-N36 PolarHBondContact O-N 3.47Å; S2-N36 WeakPolarHBondContact OG-CB 3.17Å; S2-N36 PolarHBondContact OG-ND2 3.15Å; S2-N36 VanDerWaalsContact OG-ND2 3.13Å; K4-N36 VanDerWaalsContact CE-OD1 3.27Å; K4-N36 WeakPolarHBondContact CE-OD1 3.49Å; K4-N36 WeakPolarHBondContact CG-OD1 3.48Å; N36-S40 WeakPolarHBondContact CB-OG 3.49Å
37P94.2Very high95.8Very high93 Ų9356 Ų5660%0.60432%0.32SS*.PPolyproline II helixtrans-53.3144.3175.4-27.134.9000112.3G39 S40P37-G39 PolarHBondContact O-N 2.74Å; P37-S40 VanDerWaalsContact O-CB 3.22Å; P37-S40 WeakPolarHBondContact O-CB 3.26Å; P37-S40 PolarHBondContact O-N 3.47Å; P37-S40 VanDerWaalsContact O-N 3.15Å; P37-S40 PolarHBondContact O-OG 2.91Å
38P92.1Very high95.7Very high62 Ų6259.9 Ų59.940%0.40334%0.336SS..THydrogen-bonded Turntrans-55131.1177.2-26.734.8000113M1 R111M1-P38 HydrophobicContact CG-CG 3.76Å; M1-P38 HydrophobicContact SD-CG 4.46Å; P38-R111 VanDerWaalsContact C-NH1 3.32Å; P38-R111 VanDerWaalsContact CB-CZ 3.42Å; P38-R111 PolarHBondContact O-NH1 2.91Å
39G92.2Very high95.7Very high18 Ų1858.4 Ų58.419%0.18632%0.323CS..THydrogen-bonded Turntrans88.8-2.1-17900000114.8P37 E41 L42P37-G39 PolarHBondContact O-N 2.74Å; G39-E41 PolarHBondContact O-N 3.44Å; G39-E41 VanDerWaalsContact O-N 3.16Å; G39-L42 PolarHBondContact O-N 2.95Å
40S94.3Very high95.8Very high35 Ų3557.4 Ų57.425%0.24531%0.311CS..THydrogen-bonded Turntrans-60.9-20.1174.9560000113.8S2 N36 P37 L42 K84S2-S40 PolarHBondContact OG-OG 3.25Å; N36-S40 WeakPolarHBondContact CB-OG 3.49Å; P37-S40 VanDerWaalsContact O-CB 3.22Å; P37-S40 WeakPolarHBondContact O-CB 3.26Å; P37-S40 PolarHBondContact O-N 3.47Å; P37-S40 VanDerWaalsContact O-N 3.15Å; P37-S40 PolarHBondContact O-OG 2.91Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-L42 PolarHBondContact O-N 3.23Å; S40-K84 WeakPolarHBondContact O-CD 3.37Å; S40-K84 WeakPolarHBondContact O-CE 3.29Å; S40-K84 PolarHBondContact O-NZ 3.31Å
41E95.5Very high95.6Very high2 Ų260 Ų601%0.00933%0.329CS..THydrogen-bonded Turntrans-72.9-10173.555.7-93.2-166.600115.3G39 K84 V87 Y94 L96 R156G39-E41 PolarHBondContact O-N 3.44Å; G39-E41 VanDerWaalsContact O-N 3.16Å; E41-K84 WeakPolarHBondContact O-CG 3.38Å; E41-K84 PolarHBondContact O-N 3.21Å; E41-K84 VanDerWaalsContact O-N 3.1Å; E41-V87 HydrophobicContact CB-CG2 3.88Å; E41-Y94 HydrophobicContact CB-CD1 3.79Å; E41-Y94 HydrophobicContact CB-CE1 3.95Å; E41-L96 HydrophobicContact CB-CB 4.44Å; E41-L96 HydrophobicContact CB-CD2 4.04Å; E41-L96 HydrophobicContact CG-CB 3.81Å; E41-L96 HydrophobicContact CG-CD2 3.52Å; E41-L96 HydrophobicContact CG-CG 4.23Å; E41-R156 IonicContact OE1-CZ 2.9Å; E41-R156 VanDerWaalsContact OE1-CZ 3.25Å; E41-R156 IonicContact OE1-NH1 3.48Å; E41-R156 PolarHBondContact OE1-NH1 3.18Å; E41-R156 IonicContact OE1-NH2 3.88Å; E41-R156 PolarHBondContact OE1-NH2 3.09Å
42L96.3Very high95.3Very high18 Ų1863 Ų639%0.09434%0.34CS..EExtended strand (participates in β ladder)trans-108.2156.3-178.8-65.2176.6000112.5G39 S40 R81 V83 L96 F103 R111G39-L42 PolarHBondContact O-N 2.95Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-L42 PolarHBondContact O-N 3.23Å; L42-R81 HydrophobicContact CD1-CB 4.18Å; L42-R81 HydrophobicContact CD1-CG 4Å; L42-R81 HydrophobicContact CD2-CB 4.24Å; L42-V83 HydrophobicContact CD2-CG2 4.2Å; L42-L96 HydrophobicContact CD2-CD2 3.51Å; L42-L96 HydrophobicContact CG-CD2 4.13Å; L42-F103 HydrophobicContact CD2-CE1 4.26Å; L42-F103 HydrophobicContact CD2-CZ 3.85Å; L42-R111 HydrophobicContact CD1-CB 4.13Å; L42-R111 VanDerWaalsContact CD1-O 3.28Å; L42-R111 WeakPolarHBondContact CD1-O 3.39Å
43V95.9Very high94.9Very high71 Ų7164.8 Ų64.843%0.4334%0.343SS..EExtended strand (participates in β ladder)trans-120.9137.4167.8-167.30000107.9R81 K82 K84V43-R81 CarbonylContact O-C 3.56Å; V43-R81 WeakPolarHBondContact O-CA 3.37Å; V43-K82 PolarHBondContact N-O 3.11Å; V43-K82 PolarHBondContact O-N 2.62Å; V43-K84 HydrophobicContact CG2-CD 4.29Å; V43-K84 HydrophobicContact CG2-CG 3.49Å; V43-K84 VanDerWaalsContact CG2-CG 3.49Å
44E95.7Very high94.5Very high148 Ų14860.6 Ų60.669%0.69232%0.321SS*.EExtended strand (participates in β ladder)trans-67.4142.4169.2-61-171.5159.300109.8R81E44-R81 IonicContact OE1-CZ 2.63Å; E44-R81 IonicContact OE1-NH2 2.63Å; E44-R81 PolarHBondContact OE1-NH2 3.02Å
45C95.2Very high93.9Very high20 Ų2063.2 Ų63.214%0.13534%0.339CS..  trans-128.3155.9178.446.70000111.9C80 R81C45-C80 HydrophobicContact CB-CB 4.27Å; C45-C80 WeakPolarHBondContact CB-SG 3.47Å; C45-C80 PolarHBondContact N-O 3.36Å; C45-C80 WeakPolarHBondContact O-CB 3.34Å; C45-C80 WeakPolarHBondContact SG-CB 3.44Å; C45-C80 CovalentContact SG-SG 2.05Å; C45-C80 PolarHBondContact SG-SG 3.16Å; C45-R81 VanDerWaalsContact SG-CA 3.52Å; C45-R81 PolarHBondContact SG-N 2.95Å
46T96.1Very high93.3Very high106 Ų10661.2 Ų61.265%0.6533%0.33SS*.  trans-103.1118.5161.9-610000106.5E48 L77T46-E48 PolarHBondContact O-N 2.97Å; T46-L77 HydrophobicContact CG2-CD2 3.91Å
47P96.8Very high92.7Very high2 Ų259.6 Ų59.61%0.01332%0.321CS..  trans-59.3132176.4-19.630.4000111.3D49 W50 C80 M130 T133P47-D49 PolarHBondContact O-N 3.44Å; P47-W50 HydrophobicContact CB-CB 4.09Å; P47-W50 HydrophobicContact CG-CB 4.4Å; P47-W50 WeakPolarHBondContact O-CB 3.28Å; P47-W50 PolarHBondContact O-N 3.26Å; P47-W50 VanDerWaalsContact O-N 3.11Å; P47-C80 HydrophobicContact CG-CB 3.91Å; P47-M130 HydrophobicContact CB-CE 3.41Å; P47-M130 VanDerWaalsContact CB-CE 3.41Å; P47-M130 HydrophobicContact CG-CE 3.63Å; P47-T133 HydrophobicContact CB-CG2 4.48Å; P47-T133 WeakPolarHBondContact CB-OG1 3.48Å
48E94.1Very high91.6Very high151 Ų15161.8 Ų61.871%0.70632%0.324SS*.THydrogen-bonded Turntrans-62.7-25.8-174.963.7-179.3-170.400114.1T46 S132T46-E48 PolarHBondContact O-N 2.97Å; E48-S132 WeakPolarHBondContact OE1-CB 3.49Å; E48-S132 PolarHBondContact OE1-OG 2.86Å
49D96.4Very high90.3Very high30 Ų3067.6 Ų67.616%0.1635%0.346CS..THydrogen-bonded Turntrans-102.47.2-179.160-7.2000112.8P47 M130 F131 S132 T133P47-D49 PolarHBondContact O-N 3.44Å; D49-M130 WeakPolarHBondContact OD2-CA 3.29Å; D49-F131 PolarHBondContact OD2-N 2.82Å; D49-F131 VanDerWaalsContact OD2-N 3.16Å; D49-S132 WeakPolarHBondContact OD2-CA 3.48Å; D49-S132 WeakPolarHBondContact OD2-CB 3.49Å; D49-S132 PolarHBondContact OD2-N 3.49Å; D49-T133 WeakPolarHBondContact OD1-CB 3.44Å; D49-T133 PolarHBondContact OD1-OG1 2.87Å; D49-T133 PolarHBondContact OD2-N 2.9Å
50W97Very high89.3Confident48 Ų4873 Ų7318%0.18236%0.364CS..  trans-75.8129.7170.1-170.593.5000109.8P47 Q52 H73 L77 M130P47-W50 HydrophobicContact CB-CB 4.09Å; P47-W50 HydrophobicContact CG-CB 4.4Å; P47-W50 WeakPolarHBondContact O-CB 3.28Å; P47-W50 PolarHBondContact O-N 3.26Å; P47-W50 VanDerWaalsContact O-N 3.11Å; W50-Q52 VanDerWaalsContact CH2-CA 3.47Å; W50-Q52 HydrophobicContact CH2-CB 3.91Å; W50-Q52 HydrophobicContact CH2-CG 4.17Å; W50-Q52 HydrophobicContact CZ3-CB 3.93Å; W50-H73 AromaticContact CD1-CE1 3.64Å; W50-H73 AromaticContact CD1-NE2 3.6Å; W50-H73 AromaticContact CE2-CD2 3.82Å; W50-H73 AromaticContact CE2-NE2 3.58Å; W50-H73 AromaticContact CZ2-CD2 3.96Å; W50-H73 AromaticContact NE1-CD2 3.49Å; W50-H73 PolarHBondContact NE1-CD2 2.96Å; W50-H73 AromaticContact NE1-CE1 3.54Å; W50-H73 AromaticContact NE1-CG 3.99Å; W50-H73 AromaticContact NE1-NE2 3.19Å; W50-H73 PolarHBondContact NE1-NE2 3.16Å; W50-H73 VanDerWaalsContact NE1-NE2 3.19Å; W50-H73 PolarHBondContact NE1-O 3.38Å; W50-H73 VanDerWaalsContact NE1-O 3.09Å; W50-L77 HydrophobicContact CB-CD2 4.25Å; W50-L77 HydrophobicContact CD2-CD1 4.11Å; W50-L77 HydrophobicContact CD2-CD2 3.66Å; W50-L77 HydrophobicContact CD2-CG 3.97Å; W50-L77 HydrophobicContact CE3-CD1 4.2Å; W50-L77 HydrophobicContact CE3-CD2 4.01Å; W50-L77 HydrophobicContact CE3-CG 4.45Å; W50-L77 HydrophobicContact CG-CD2 3.75Å; W50-L77 HydrophobicContact CG-CG 4.29Å; W50-L77 HydrophobicContact CH2-CD1 3.78Å; W50-L77 HydrophobicContact CZ2-CD1 3.7Å; W50-L77 HydrophobicContact CZ2-CG 4.16Å; W50-L77 HydrophobicContact CZ3-CD1 4.04Å; W50-M130 HydrophobicContact CB-CE 3.87Å; W50-M130 HydrophobicContact CG-CE 4.34Å
51T94.3Very high88.7Confident70 Ų7071.9 Ų71.943%0.42936%0.355SS..  trans-125.5145.6175.961.40000109.3F53 P54 H73T51-F53 VanDerWaalsContact C-N 3.33Å; T51-F53 PolarHBondContact O-N 3.38Å; T51-P54 WeakPolarHBondContact O-CD 3.4Å; T51-P54 WeakPolarHBondContact OG1-CB 3.22Å; T51-H73 PolarHBondContact O-NE2 3.43Å
52Q91Very high88.1Confident104 Ų10474.1 Ų74.149%0.48637%0.37SS..SBendtrans-65.9-35.9-178.5-170.9176.414.600113.3W50 P54 F70W50-Q52 VanDerWaalsContact CH2-CA 3.47Å; W50-Q52 HydrophobicContact CH2-CB 3.91Å; W50-Q52 HydrophobicContact CH2-CG 4.17Å; W50-Q52 HydrophobicContact CZ3-CB 3.93Å; Q52-P54 VanDerWaalsContact C-CD 3.49Å; Q52-P54 WeakPolarHBondContact O-CD 3.3Å; Q52-F70 HydrophobicContact CG-CE2 4.08Å; Q52-F70 HydrophobicContact CG-CZ 4.44Å; Q52-F70 WeakPolarHBondContact O-CE2 3.45Å
53F88Confident87.7Confident138 Ų13878.6 Ų78.661%0.60539%0.39SS*.SBendtrans-128.871.8-177.7-56-70.7000110.1T51 F70T51-F53 VanDerWaalsContact C-N 3.33Å; T51-F53 PolarHBondContact O-N 3.38Å; F53-F70 HydrophobicContact CE1-CE2 4.48Å
54P87.3Confident87.3Confident5 Ų578.4 Ų78.43%0.03239%0.39CS..  trans-69.8152.4174.630.3-33.9000110.4T51 Q52 F56 L57T51-P54 WeakPolarHBondContact O-CD 3.4Å; T51-P54 WeakPolarHBondContact OG1-CB 3.22Å; Q52-P54 VanDerWaalsContact C-CD 3.49Å; Q52-P54 WeakPolarHBondContact O-CD 3.3Å; P54-F56 HydrophobicContact CB-CD1 3.6Å; P54-F56 HydrophobicContact CB-CE1 3.52Å; P54-F56 HydrophobicContact CG-CD1 3.49Å; P54-F56 VanDerWaalsContact CG-CD1 3.49Å; P54-F56 HydrophobicContact CG-CE1 2.98Å; P54-F56 HydrophobicContact CG-CG 4.41Å; P54-F56 HydrophobicContact CG-CZ 3.61Å; P54-F56 PolarHBondContact O-N 2.71Å; P54-L57 HydrophobicContact CG-CD1 4.1Å; P54-L57 HydrophobicContact CG-CG 4.02Å; P54-L57 WeakPolarHBondContact O-CB 3.48Å; P54-L57 PolarHBondContact O-N 2.94Å
55D85.6Confident87Confident113 Ų11371.5 Ų71.560%0.60436%0.358SS*.G310 helixtrans-51.4-26.2-176.6-56.7-2.2000114.6L57D55-L57 PolarHBondContact O-N 3.48Å
56F83.9Confident86.8Confident7 Ų771.7 Ų71.73%0.03136%0.358CS..G310 helixtrans-72.1-16178.478.2-95.1000113.7P54 L69 H73 V127 M487 L491P54-F56 HydrophobicContact CB-CD1 3.6Å; P54-F56 HydrophobicContact CB-CE1 3.52Å; P54-F56 HydrophobicContact CG-CD1 3.49Å; P54-F56 VanDerWaalsContact CG-CD1 3.49Å; P54-F56 HydrophobicContact CG-CE1 2.98Å; P54-F56 HydrophobicContact CG-CG 4.41Å; P54-F56 HydrophobicContact CG-CZ 3.61Å; P54-F56 PolarHBondContact O-N 2.71Å; F56-L69 HydrophobicContact CD2-CD2 4Å; F56-L69 HydrophobicContact CD2-CG 4.4Å; F56-L69 HydrophobicContact CE2-CD1 4.19Å; F56-L69 HydrophobicContact CE2-CD2 4.08Å; F56-L69 HydrophobicContact CE2-CG 3.97Å; F56-H73 AromaticContact CE1-ND1 3.88Å; F56-H73 HydrophobicContact CE2-CB 4.5Å; F56-H73 HydrophobicContact CZ-CB 3.85Å; F56-H73 AromaticContact CZ-CG 3.61Å; F56-H73 AromaticContact CZ-ND1 3.55Å; F56-V127 VanDerWaalsContact CD1-O 3.29Å; F56-V127 WeakPolarHBondContact CD1-O 3.39Å; F56-M487 HydrophobicContact CE2-CE 4.02Å; F56-M487 HydrophobicContact CZ-CE 3.97Å; F56-L491 HydrophobicContact CB-CD1 4.21Å; F56-L491 HydrophobicContact CD2-CD1 4.18Å; F56-L491 HydrophobicContact CD2-CD2 4.48Å; F56-L491 HydrophobicContact CG-CD1 4.47Å
57L84.1Confident86.6Confident10 Ų1070.4 Ų70.45%0.05235%0.347CS..G310 helixtrans-93.9-10.7177.3-69.5-171.7000114.4P54 D55 E59 N66 L69 F70P54-L57 HydrophobicContact CG-CD1 4.1Å; P54-L57 HydrophobicContact CG-CG 4.02Å; P54-L57 WeakPolarHBondContact O-CB 3.48Å; P54-L57 PolarHBondContact O-N 2.94Å; D55-L57 PolarHBondContact O-N 3.48Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.28Å; L57-N66 PolarHBondContact O-ND2 3.13Å; L57-N66 VanDerWaalsContact O-ND2 3.14Å; L57-N66 PolarHBondContact O-OD1 3Å; L57-L69 HydrophobicContact CD2-CB 4.09Å; L57-L69 HydrophobicContact CD2-CD2 3.66Å; L57-L69 HydrophobicContact CD2-CG 3.55Å; L57-F70 HydrophobicContact CD1-CB 4.06Å; L57-F70 HydrophobicContact CD1-CD2 3.67Å; L57-F70 HydrophobicContact CD1-CG 4.36Å
58E72.4Confident86.5Confident139 Ų13970.4 Ų70.465%0.6535%0.347SS*.SBendtrans-69.486.9-179.9-69.3-168.4164.500111.1K60E58-K60 PolarHBondContact O-N 3.33Å
59E64.8Low86.5Confident185 Ų18563.2 Ų63.286%0.86431%0.313SS*.SBendtrans51.226.1172.1-63.1-170.7173.900116.6L57 L61L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.28Å; E59-L61 PolarHBondContact O-N 3.1Å
60K69.9Low86.4Confident132 Ų13264.7 Ų64.757%0.57432%0.318SS*.SBendtrans-67.7-27.2175.1-72-164.3178.6-179.40113.4E58E58-K60 PolarHBondContact O-N 3.33Å
61L81.8Confident86.3Confident10 Ų1066.2 Ų66.25%0.05233%0.327CS..SBendtrans-120.9143.1-177.8-59.1-178000110.8E59 L65 N66 L69 L490 A494E59-L61 PolarHBondContact O-N 3.1Å; L61-L65 HydrophobicContact CB-CB 4.02Å; L61-L65 HydrophobicContact CD1-CB 4.13Å; L61-N66 HydrophobicContact CB-CB 4.18Å; L61-N66 WeakPolarHBondContact O-CB 3.12Å; L61-L69 HydrophobicContact CD1-CB 4.16Å; L61-L69 HydrophobicContact CD1-CD2 3.73Å; L61-L69 HydrophobicContact CG-CD2 4.49Å; L61-L490 HydrophobicContact CD1-CB 4.5Å; L61-A494 HydrophobicContact CD2-CB 3.19Å
62P83.8Confident86.4Confident50 Ų5063 Ų6333%0.32531%0.308SS..  trans-70.1157.5169.832.9-37.9000110.8L65 N66 E498P62-L65 WeakPolarHBondContact O-CB 3.37Å; P62-L65 PolarHBondContact O-N 3.15Å; P62-N66 PolarHBondContact O-N 3.01Å; P62-E498 VanDerWaalsContact CG-CD 3.49Å; P62-E498 HydrophobicContact CG-CG 3.83Å
63Q86.7Confident86.6Confident111 Ų11158.1 Ų58.152%0.51929%0.285SS..THydrogen-bonded Turntrans-67.4143.9168.8-66-61.910.300111.8D67Q63-D67 VanDerWaalsContact CD-CG 3.47Å; Q63-D67 VanDerWaalsContact NE2-CG 3.33Å; Q63-D67 PolarHBondContact NE2-OD1 3.31Å; Q63-D67 PolarHBondContact OE1-OD1 2.83Å; Q63-D67 PolarHBondContact OE1-OD2 2.85Å; Q63-D67 VanDerWaalsContact OE1-OD2 3.13Å
64P88.5Confident87Confident67 Ų6753.7 Ų53.744%0.43527%0.269SS..THydrogen-bonded Turncis-89.79.75.437.1-38.6000115.3D67 W68 Y444P64-D67 PolarHBondContact O-N 3.49Å; P64-W68 PolarHBondContact O-N 2.91Å; P64-Y444 WeakPolarHBondContact CG-OH 3.42Å
65L90.1Very high87.4Confident3 Ų355.7 Ų55.72%0.01628%0.279CS..Hα-helixtrans-72.8-31.6-172.7-61.5-174.4000113.1L61 P62 D67 W68 L69 Y444 F497 L501L61-L65 HydrophobicContact CB-CB 4.02Å; L61-L65 HydrophobicContact CD1-CB 4.13Å; P62-L65 WeakPolarHBondContact O-CB 3.37Å; P62-L65 PolarHBondContact O-N 3.15Å; L65-D67 VanDerWaalsContact C-N 3.33Å; L65-W68 PolarHBondContact O-N 2.9Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 PolarHBondContact O-N 2.84Å; L65-Y444 HydrophobicContact CD2-CE2 4.37Å; L65-F497 HydrophobicContact CD1-CD1 3.72Å; L65-F497 HydrophobicContact CD1-CE1 3.98Å; L65-F497 HydrophobicContact CD2-CD1 4.13Å; L65-F497 HydrophobicContact CD2-CE1 3.49Å; L65-F497 VanDerWaalsContact CD2-CE1 3.49Å; L65-F497 HydrophobicContact CD2-CZ 4.24Å; L65-F497 HydrophobicContact CG-CE1 4.37Å; L65-L501 HydrophobicContact CD1-CD1 4.07Å; L65-L501 HydrophobicContact CD2-CD1 3.64Å; L65-L501 HydrophobicContact CG-CD1 4.18Å
66N90Very high87.9Confident24 Ų2450.3 Ų50.313%0.12825%0.25CS..Hα-helixtrans-65.2-40.1175.5-149.754.7000111.3L57 L61 P62 L69 F70L57-N66 PolarHBondContact O-ND2 3.13Å; L57-N66 VanDerWaalsContact O-ND2 3.14Å; L57-N66 PolarHBondContact O-OD1 3Å; L61-N66 HydrophobicContact CB-CB 4.18Å; L61-N66 WeakPolarHBondContact O-CB 3.12Å; P62-N66 PolarHBondContact O-N 3.01Å; N66-L69 PolarHBondContact O-N 3.29Å; N66-F70 WeakPolarHBondContact O-CB 3.42Å; N66-F70 PolarHBondContact O-N 3.43Å
67D91.8Very high88.5Confident79 Ų7952.5 Ų52.542%0.42226%0.262SS..Hα-helixtrans-61.7-44.7174.5-68.6-16.6000111.5Q63 P64 L65 L69 F70 E71Q63-D67 VanDerWaalsContact CD-CG 3.47Å; Q63-D67 VanDerWaalsContact NE2-CG 3.33Å; Q63-D67 PolarHBondContact NE2-OD1 3.31Å; Q63-D67 PolarHBondContact OE1-OD1 2.83Å; Q63-D67 PolarHBondContact OE1-OD2 2.85Å; Q63-D67 VanDerWaalsContact OE1-OD2 3.13Å; P64-D67 PolarHBondContact O-N 3.49Å; L65-D67 VanDerWaalsContact C-N 3.33Å; D67-L69 VanDerWaalsContact C-N 3.34Å; D67-L69 PolarHBondContact O-N 2.88Å; D67-F70 WeakPolarHBondContact O-CB 3.46Å; D67-F70 PolarHBondContact O-N 3.38Å; D67-E71 WeakPolarHBondContact O-CG 3.5Å; D67-E71 PolarHBondContact O-N 3.05Å
68W94.5Very high89.1Confident3 Ų355 Ų551%0.01128%0.28CS..Hα-helixtrans-62.3-42176.5-176.133.8000112.2P64 L65 F70 E71 L72 Y444 Y447 M453 T486 L490 F497P64-W68 PolarHBondContact O-N 2.91Å; L65-W68 PolarHBondContact O-N 2.9Å; W68-F70 VanDerWaalsContact C-N 3.33Å; W68-F70 PolarHBondContact O-N 2.86Å; W68-E71 PolarHBondContact O-N 3.42Å; W68-L72 HydrophobicContact CD2-CD1 4.23Å; W68-L72 HydrophobicContact CG-CD1 4.46Å; W68-L72 HydrophobicContact CZ2-CD1 4.39Å; W68-L72 WeakPolarHBondContact O-CG 3.47Å; W68-L72 PolarHBondContact O-N 2.99Å; W68-Y444 HydrophobicContact CB-CE2 4.41Å; W68-Y444 AromaticContact CD2-CD2 3.65Å; W68-Y444 HydrophobicContact CD2-CD2 3.65Å; W68-Y444 HydrophobicContact CD2-CE2 4.26Å; W68-Y444 AromaticContact CE3-CD2 3.41Å; W68-Y444 HydrophobicContact CE3-CD2 3.41Å; W68-Y444 VanDerWaalsContact CE3-CD2 3.41Å; W68-Y444 HydrophobicContact CE3-CE2 4.15Å; W68-Y444 HydrophobicContact CE3-CG 4.19Å; W68-Y444 HydrophobicContact CG-CD2 4.21Å; W68-Y444 HydrophobicContact CG-CE2 4.4Å; W68-Y444 HydrophobicContact CH2-CD2 4.2Å; W68-Y444 HydrophobicContact CH2-CG 4.4Å; W68-Y444 HydrophobicContact CZ2-CD2 4.39Å; W68-Y444 AromaticContact CZ3-CD2 3.72Å; W68-Y444 HydrophobicContact CZ3-CD2 3.72Å; W68-Y444 HydrophobicContact CZ3-CG 4.04Å; W68-Y447 AromaticContact CD1-CD1 3.47Å; W68-Y447 VanDerWaalsContact CD1-CD1 3.47Å; W68-Y447 AromaticContact CD1-CE1 3.23Å; W68-Y447 AromaticContact CD1-CG 3.99Å; W68-Y447 AromaticContact CD1-CZ 3.59Å; W68-Y447 HydrophobicContact CG-CD1 4.19Å; W68-Y447 HydrophobicContact CG-CE1 4.03Å; W68-Y447 AromaticContact NE1-CD1 3.43Å; W68-Y447 AromaticContact NE1-CD2 3.91Å; W68-Y447 AromaticContact NE1-CE1 3.67Å; W68-Y447 AromaticContact NE1-CG 3.52Å; W68-Y447 AromaticContact NE1-CZ 3.98Å; W68-M453 HydrophobicContact CZ2-CE 4.1Å; W68-M453 HydrophobicContact CZ2-SD 4.06Å; W68-T486 HydrophobicContact CH2-CG2 3.49Å; W68-T486 VanDerWaalsContact CH2-CG2 3.49Å; W68-T486 HydrophobicContact CZ2-CG2 3.64Å; W68-T486 HydrophobicContact CZ3-CG2 4.17Å; W68-L490 HydrophobicContact CD2-CD1 4.3Å; W68-L490 HydrophobicContact CE3-CD1 3.77Å; W68-L490 HydrophobicContact CE3-CD2 4.01Å; W68-L490 HydrophobicContact CE3-CG 4.41Å; W68-L490 HydrophobicContact CZ3-CD1 3.95Å; W68-L490 HydrophobicContact CZ3-CD2 3.83Å; W68-L490 HydrophobicContact CZ3-CG 4.21Å; W68-F497 HydrophobicContact CE3-CE1 4.45Å; W68-F497 AromaticContact CZ3-CE1 3.95Å; W68-F497 HydrophobicContact CZ3-CE1 3.95Å; W68-F497 HydrophobicContact CZ3-CZ 4.21Å
69L94.2Very high90.2Very high0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-63.8-38.3176.2-176.461.8000112.1F56 L57 L61 L65 N66 D67 L72 H73 M487 L490 L491F56-L69 HydrophobicContact CD2-CD2 4Å; F56-L69 HydrophobicContact CD2-CG 4.4Å; F56-L69 HydrophobicContact CE2-CD1 4.19Å; F56-L69 HydrophobicContact CE2-CD2 4.08Å; F56-L69 HydrophobicContact CE2-CG 3.97Å; L57-L69 HydrophobicContact CD2-CB 4.09Å; L57-L69 HydrophobicContact CD2-CD2 3.66Å; L57-L69 HydrophobicContact CD2-CG 3.55Å; L61-L69 HydrophobicContact CD1-CB 4.16Å; L61-L69 HydrophobicContact CD1-CD2 3.73Å; L61-L69 HydrophobicContact CG-CD2 4.49Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 PolarHBondContact O-N 2.84Å; N66-L69 PolarHBondContact O-N 3.29Å; D67-L69 VanDerWaalsContact C-N 3.34Å; D67-L69 PolarHBondContact O-N 2.88Å; L69-L72 PolarHBondContact O-N 3.47Å; L69-H73 PolarHBondContact O-N 3.35Å; L69-M487 HydrophobicContact CD1-CB 4.3Å; L69-M487 HydrophobicContact CD1-CE 4.13Å; L69-M487 HydrophobicContact CD1-CG 3.98Å; L69-L490 HydrophobicContact CB-CD1 4.43Å; L69-L490 HydrophobicContact CD1-CD1 4.11Å; L69-L491 HydrophobicContact CD2-CD2 3.66Å; L69-L491 HydrophobicContact CD2-CG 4.37Å
70F94.5Very high91.8Very high61 Ų6140 Ų4027%0.26821%0.21SC..Hα-helixtrans-62.6-42.7173.1172.1-96.4000111.8Q52 F53 L57 N66 D67 W68 H73 T74Q52-F70 HydrophobicContact CG-CE2 4.08Å; Q52-F70 HydrophobicContact CG-CZ 4.44Å; Q52-F70 WeakPolarHBondContact O-CE2 3.45Å; F53-F70 HydrophobicContact CE1-CE2 4.48Å; L57-F70 HydrophobicContact CD1-CB 4.06Å; L57-F70 HydrophobicContact CD1-CD2 3.67Å; L57-F70 HydrophobicContact CD1-CG 4.36Å; N66-F70 WeakPolarHBondContact O-CB 3.42Å; N66-F70 PolarHBondContact O-N 3.43Å; D67-F70 WeakPolarHBondContact O-CB 3.46Å; D67-F70 PolarHBondContact O-N 3.38Å; W68-F70 VanDerWaalsContact C-N 3.33Å; W68-F70 PolarHBondContact O-N 2.86Å; F70-H73 PolarHBondContact O-N 3.34Å; F70-T74 WeakPolarHBondContact O-CB 3.37Å; F70-T74 PolarHBondContact O-N 2.98Å; F70-T74 PolarHBondContact O-OG1 3.21Å
71E95Very high93.1Very high79 Ų7935.4 Ų35.437%0.36919%0.189SC..Hα-helixtrans-66.4-38.9176.8-70.9-171.2-120.600111.9D67 W68 H73 T74 I75 Y447 R451D67-E71 WeakPolarHBondContact O-CG 3.5Å; D67-E71 PolarHBondContact O-N 3.05Å; W68-E71 PolarHBondContact O-N 3.42Å; E71-H73 VanDerWaalsContact C-N 3.31Å; E71-H73 PolarHBondContact O-N 2.97Å; E71-T74 PolarHBondContact O-N 3.46Å; E71-I75 PolarHBondContact O-N 3.31Å; E71-I75 VanDerWaalsContact O-N 3.14Å; E71-Y447 WeakPolarHBondContact CB-OH 3.29Å; E71-Y447 PolarHBondContact OE1-OH 3.46Å; E71-Y447 PolarHBondContact OE2-OH 2.72Å; E71-R451 IonicContact OE1-CZ 2.72Å; E71-R451 IonicContact OE1-NH2 3.21Å; E71-R451 PolarHBondContact OE1-NH2 3.05Å; E71-R451 IonicContact OE2-CZ 3.58Å; E71-R451 IonicContact OE2-NH2 3.7Å; E71-R451 PolarHBondContact OE2-NH2 2.99Å
72L95.9Very high93.8Very high4 Ų438.8 Ų38.82%0.02120%0.204CC..Hα-helixtrans-63.4-34.1171.6-70.5172.6000112.6W68 L69 I75 M453 N483 T486 M487 L490W68-L72 HydrophobicContact CD2-CD1 4.23Å; W68-L72 HydrophobicContact CG-CD1 4.46Å; W68-L72 HydrophobicContact CZ2-CD1 4.39Å; W68-L72 WeakPolarHBondContact O-CG 3.47Å; W68-L72 PolarHBondContact O-N 2.99Å; L69-L72 PolarHBondContact O-N 3.47Å; L72-I75 WeakPolarHBondContact O-CG2 3.37Å; L72-M453 HydrophobicContact CD2-CE 3.97Å; L72-M453 HydrophobicContact CD2-CG 3.68Å; L72-M453 HydrophobicContact CD2-SD 3.92Å; L72-N483 HydrophobicContact CD2-CB 4.35Å; L72-T486 HydrophobicContact CD1-CG2 3.65Å; L72-M487 HydrophobicContact CB-CG 3.79Å; L72-M487 HydrophobicContact CB-SD 4.04Å; L72-M487 HydrophobicContact CD1-CG 4.02Å; L72-M487 HydrophobicContact CG-CG 4.49Å; L72-L490 HydrophobicContact CD1-CD1 3.72Å
73H95.9Very high94.5Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-73.6-37.2174.4-179.659.4000112.4W50 T51 F56 L69 F70 E71 I75 W76 S128 M487W50-H73 AromaticContact CD1-CE1 3.64Å; W50-H73 AromaticContact CD1-NE2 3.6Å; W50-H73 AromaticContact CE2-CD2 3.82Å; W50-H73 AromaticContact CE2-NE2 3.58Å; W50-H73 AromaticContact CZ2-CD2 3.96Å; W50-H73 AromaticContact NE1-CD2 3.49Å; W50-H73 PolarHBondContact NE1-CD2 2.96Å; W50-H73 AromaticContact NE1-CE1 3.54Å; W50-H73 AromaticContact NE1-CG 3.99Å; W50-H73 AromaticContact NE1-NE2 3.19Å; W50-H73 PolarHBondContact NE1-NE2 3.16Å; W50-H73 VanDerWaalsContact NE1-NE2 3.19Å; W50-H73 PolarHBondContact NE1-O 3.38Å; W50-H73 VanDerWaalsContact NE1-O 3.09Å; T51-H73 PolarHBondContact O-NE2 3.43Å; F56-H73 AromaticContact CE1-ND1 3.88Å; F56-H73 HydrophobicContact CE2-CB 4.5Å; F56-H73 HydrophobicContact CZ-CB 3.85Å; F56-H73 AromaticContact CZ-CG 3.61Å; F56-H73 AromaticContact CZ-ND1 3.55Å; L69-H73 PolarHBondContact O-N 3.35Å; F70-H73 PolarHBondContact O-N 3.34Å; E71-H73 VanDerWaalsContact C-N 3.31Å; E71-H73 PolarHBondContact O-N 2.97Å; H73-I75 PolarHBondContact O-N 3.49Å; H73-W76 AromaticContact ND1-CD1 3.76Å; H73-W76 PolarHBondContact O-N 3.22Å; H73-S128 WeakPolarHBondContact ND1-CB 3.43Å; H73-S128 PolarHBondContact ND1-OG 3.48Å; H73-M487 HydrophobicContact CB-CE 4.06Å
74T96.4Very high95Very high45 Ų4535.1 Ų35.128%0.27618%0.181SC..Hα-helixtrans-65.7-29.2179.8-60.60000111.7F70 E71 W76 L77F70-T74 WeakPolarHBondContact O-CB 3.37Å; F70-T74 PolarHBondContact O-N 2.98Å; F70-T74 PolarHBondContact O-OG1 3.21Å; E71-T74 PolarHBondContact O-N 3.46Å; T74-W76 PolarHBondContact O-N 3.43Å; T74-W76 VanDerWaalsContact O-N 3.07Å; T74-L77 HydrophobicContact CG2-CD1 4.4Å; T74-L77 WeakPolarHBondContact O-CB 3.26Å; T74-L77 PolarHBondContact O-N 3.28Å
75I95.7Very high95.4Very high48 Ų4836.7 Ų36.725%0.24618%0.183CC..Hα-helixtrans-58.5-24.4-180-153.769.4000113.3E71 L72 H73 L77 S78 L79 N483E71-I75 PolarHBondContact O-N 3.31Å; E71-I75 VanDerWaalsContact O-N 3.14Å; L72-I75 WeakPolarHBondContact O-CG2 3.37Å; H73-I75 PolarHBondContact O-N 3.49Å; I75-L77 PolarHBondContact O-N 2.89Å; I75-S78 PolarHBondContact O-N 3.49Å; I75-S78 VanDerWaalsContact O-N 3.07Å; I75-S78 PolarHBondContact O-OG 2.97Å; I75-L79 HydrophobicContact CG1-CD1 4.06Å; I75-L79 HydrophobicContact CG1-CG 4.32Å; I75-L79 HydrophobicContact CG2-CD1 4.36Å; I75-L79 WeakPolarHBondContact O-CG 3.29Å; I75-L79 PolarHBondContact O-N 3.43Å; I75-N483 HydrophobicContact CG2-CB 4.31Å; I75-N483 WeakPolarHBondContact CG2-ND2 3.48Å
76W96.9Very high95.7Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-62.4-30.1178.5-56.9135.4000112.3H73 T74 L79 C80 I104 T121 L125 S128 M130 N483 M487H73-W76 AromaticContact ND1-CD1 3.76Å; H73-W76 PolarHBondContact O-N 3.22Å; T74-W76 PolarHBondContact O-N 3.43Å; T74-W76 VanDerWaalsContact O-N 3.07Å; W76-L79 HydrophobicContact CE3-CD1 4.34Å; W76-L79 HydrophobicContact CZ3-CD1 4.33Å; W76-L79 PolarHBondContact O-N 2.89Å; W76-C80 WeakPolarHBondContact O-CB 3.44Å; W76-C80 PolarHBondContact O-N 2.76Å; W76-I104 HydrophobicContact CE3-CG2 3.75Å; W76-I104 HydrophobicContact CZ3-CG2 3.93Å; W76-T121 HydrophobicContact CH2-CG2 4.28Å; W76-T121 HydrophobicContact CZ3-CG2 3.86Å; W76-L125 HydrophobicContact CD2-CD2 3.99Å; W76-L125 HydrophobicContact CE3-CD2 4.48Å; W76-L125 HydrophobicContact CG-CD2 4.03Å; W76-S128 PolarHBondContact NE1-OG 2.92Å; W76-M130 HydrophobicContact CB-CE 4.31Å; W76-M130 HydrophobicContact CB-SD 4.26Å; W76-M130 HydrophobicContact CG-SD 4.15Å; W76-N483 HydrophobicContact CH2-CB 3.68Å; W76-N483 HydrophobicContact CZ2-CB 4.17Å; W76-N483 HydrophobicContact CZ3-CB 4.27Å; W76-M487 HydrophobicContact CZ2-SD 3.7Å
77L96.7Very high96.1Very high53 Ų5338.6 Ų38.628%0.27719%0.193SC..Hα-helixtrans-63.2-41.5173.7-62.4178.3000111.9T46 W50 T74 I75 L79T46-L77 HydrophobicContact CG2-CD2 3.91Å; W50-L77 HydrophobicContact CB-CD2 4.25Å; W50-L77 HydrophobicContact CD2-CD1 4.11Å; W50-L77 HydrophobicContact CD2-CD2 3.66Å; W50-L77 HydrophobicContact CD2-CG 3.97Å; W50-L77 HydrophobicContact CE3-CD1 4.2Å; W50-L77 HydrophobicContact CE3-CD2 4.01Å; W50-L77 HydrophobicContact CE3-CG 4.45Å; W50-L77 HydrophobicContact CG-CD2 3.75Å; W50-L77 HydrophobicContact CG-CG 4.29Å; W50-L77 HydrophobicContact CH2-CD1 3.78Å; W50-L77 HydrophobicContact CZ2-CD1 3.7Å; W50-L77 HydrophobicContact CZ2-CG 4.16Å; W50-L77 HydrophobicContact CZ3-CD1 4.04Å; T74-L77 HydrophobicContact CG2-CD1 4.4Å; T74-L77 WeakPolarHBondContact O-CB 3.26Å; T74-L77 PolarHBondContact O-N 3.28Å; I75-L77 PolarHBondContact O-N 2.89Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 2.88Å
78S94.9Very high96.2Very high61 Ų6136.7 Ų36.743%0.42719%0.191SC..Hα-helixtrans-76.9-22.5-177.872.40000112.8I75 R81I75-S78 PolarHBondContact O-N 3.49Å; I75-S78 VanDerWaalsContact O-N 3.07Å; I75-S78 PolarHBondContact O-OG 2.97Å; S78-R81 PolarHBondContact O-NH1 3.06Å; S78-R81 PolarHBondContact O-NH2 2.99Å
79L96.6Very high96.3Very high9 Ų940 Ų405%0.04722%0.22CC..Hα-helixtrans-99.2-7.9-177.9-60.7178.2000113.9I75 W76 L77 R81 I104 I105I75-L79 HydrophobicContact CG1-CD1 4.06Å; I75-L79 HydrophobicContact CG1-CG 4.32Å; I75-L79 HydrophobicContact CG2-CD1 4.36Å; I75-L79 WeakPolarHBondContact O-CG 3.29Å; I75-L79 PolarHBondContact O-N 3.43Å; W76-L79 HydrophobicContact CE3-CD1 4.34Å; W76-L79 HydrophobicContact CZ3-CD1 4.33Å; W76-L79 PolarHBondContact O-N 2.89Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 2.88Å; L79-R81 PolarHBondContact O-N 3.49Å; L79-I104 HydrophobicContact CB-CG2 3.64Å; L79-I104 HydrophobicContact CD1-CG2 4.28Å; L79-I104 WeakPolarHBondContact O-CA 3.4Å; L79-I105 HydrophobicContact CB-CG1 4.29Å; L79-I105 HydrophobicContact CD2-CG1 4.1Å; L79-I105 WeakPolarHBondContact O-CG1 3.39Å; L79-I105 PolarHBondContact O-N 3.42Å
80C97.7Very high96.5Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-71.5127.3178.2-172.40000111.4C45 P47 W76 I104C45-C80 HydrophobicContact CB-CB 4.27Å; C45-C80 WeakPolarHBondContact CB-SG 3.47Å; C45-C80 PolarHBondContact N-O 3.36Å; C45-C80 WeakPolarHBondContact O-CB 3.34Å; C45-C80 WeakPolarHBondContact SG-CB 3.44Å; C45-C80 CovalentContact SG-SG 2.05Å; C45-C80 PolarHBondContact SG-SG 3.16Å; P47-C80 HydrophobicContact CG-CB 3.91Å; W76-C80 WeakPolarHBondContact O-CB 3.44Å; W76-C80 PolarHBondContact O-N 2.76Å; C80-I104 HydrophobicContact CB-CD1 3.86Å
81R97.2Very high96.5Very high37 Ų3742 Ų4214%0.1423%0.232CC..EExtended strand (participates in β ladder)trans-131.1149.3173.1-61.8-66.3179.2-75.94.3111.3L42 V43 E44 C45 S78 L79 Q102 F103 I105L42-R81 HydrophobicContact CD1-CB 4.18Å; L42-R81 HydrophobicContact CD1-CG 4Å; L42-R81 HydrophobicContact CD2-CB 4.24Å; V43-R81 CarbonylContact O-C 3.56Å; V43-R81 WeakPolarHBondContact O-CA 3.37Å; E44-R81 IonicContact OE1-CZ 2.63Å; E44-R81 IonicContact OE1-NH2 2.63Å; E44-R81 PolarHBondContact OE1-NH2 3.02Å; C45-R81 VanDerWaalsContact SG-CA 3.52Å; C45-R81 PolarHBondContact SG-N 2.95Å; S78-R81 PolarHBondContact O-NH1 3.06Å; S78-R81 PolarHBondContact O-NH2 2.99Å; L79-R81 PolarHBondContact O-N 3.49Å; R81-Q102 CarbonylContact O-C 3.31Å; R81-Q102 WeakPolarHBondContact O-CA 3.47Å; R81-F103 HydrophobicContact CB-CE1 4.31Å; R81-F103 HydrophobicContact CB-CE2 4.39Å; R81-F103 HydrophobicContact CB-CZ 4.08Å; R81-F103 PolarHBondContact N-O 3.36Å; R81-F103 WeakPolarHBondContact O-CD1 3.24Å; R81-F103 PolarHBondContact O-N 3.08Å; R81-I105 HydrophobicContact CB-CG2 4.35Å; R81-I105 HydrophobicContact CG-CD1 4.2Å; R81-I105 HydrophobicContact CG-CG1 4.44Å; R81-I105 HydrophobicContact CG-CG2 3.93Å
82K97.4Very high96.5Very high80 Ų8044.7 Ų44.735%0.34824%0.244SC..EExtended strand (participates in β ladder)trans-120.3138.5166.3-173.5-179.6173.6-169.70109.1V43 E85 Q102V43-K82 PolarHBondContact N-O 3.11Å; V43-K82 PolarHBondContact O-N 2.62Å; K82-E85 WeakPolarHBondContact CE-OE1 3.47Å; K82-E85 IonicContact NZ-OE1 2.83Å; K82-E85 PolarHBondContact NZ-OE1 2.99Å; K82-Q102 HydrophobicContact CB-CB 4.5Å
83V97.6Very high96.6Very high1 Ų146.1 Ų46.11%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-73.5134.9172.1-1710000109.4L42 V87 L96 Y98 V99 F103L42-V83 HydrophobicContact CD2-CG2 4.2Å; V83-V87 HydrophobicContact CG1-CB 3.57Å; V83-V87 HydrophobicContact CG1-CG1 3.83Å; V83-V87 HydrophobicContact CG1-CG2 3.61Å; V83-L96 HydrophobicContact CB-CD2 4.44Å; V83-L96 HydrophobicContact CG1-CD2 3.79Å; V83-L96 HydrophobicContact CG2-CD2 3.96Å; V83-Y98 HydrophobicContact CB-CD2 4.32Å; V83-Y98 HydrophobicContact CG1-CD2 4.01Å; V83-V99 HydrophobicContact CG2-CG2 3.56Å; V83-F103 HydrophobicContact CG2-CE1 3.64Å; V83-F103 HydrophobicContact CG2-CZ 4.29Å
84K97.4Very high96.6Very high84 Ų8447.3 Ų47.337%0.36526%0.256SS..  trans-62.3141.6174.4-71179177.2179.10110.5S40 E41 V43 D86 V87S40-K84 WeakPolarHBondContact O-CD 3.37Å; S40-K84 WeakPolarHBondContact O-CE 3.29Å; S40-K84 PolarHBondContact O-NZ 3.31Å; E41-K84 WeakPolarHBondContact O-CG 3.38Å; E41-K84 PolarHBondContact O-N 3.21Å; E41-K84 VanDerWaalsContact O-N 3.1Å; V43-K84 HydrophobicContact CG2-CD 4.29Å; V43-K84 HydrophobicContact CG2-CG 3.49Å; V43-K84 VanDerWaalsContact CG2-CG 3.49Å; K84-D86 PolarHBondContact O-N 3.37Å; K84-D86 VanDerWaalsContact O-N 3.16Å; K84-V87 HydrophobicContact CB-CG2 4.26Å; K84-V87 WeakPolarHBondContact O-CB 3.41Å; K84-V87 PolarHBondContact O-N 2.87Å
85E96.8Very high96.6Very high100 Ų10046.2 Ų46.247%0.46725%0.251SS..Hα-helixtrans-58.5-29.3176.3-56-5815800112.3K82 V87 G88 A89 Y98K82-E85 WeakPolarHBondContact CE-OE1 3.47Å; K82-E85 IonicContact NZ-OE1 2.83Å; K82-E85 PolarHBondContact NZ-OE1 2.99Å; E85-V87 PolarHBondContact O-N 3.03Å; E85-G88 WeakPolarHBondContact O-CA 3.49Å; E85-G88 PolarHBondContact O-N 2.64Å; E85-A89 PolarHBondContact O-N 3.28Å; E85-Y98 WeakPolarHBondContact OE2-CE2 3.3Å; E85-Y98 PolarHBondContact OE2-OH 3.27Å
86D96.8Very high96.7Very high67 Ų6744 Ų4436%0.35824%0.239SC..Hα-helixtrans-60-30175.6-169.860.7000113.3K84 G88 A89 N90 Y94K84-D86 PolarHBondContact O-N 3.37Å; K84-D86 VanDerWaalsContact O-N 3.16Å; D86-G88 VanDerWaalsContact C-N 3.29Å; D86-G88 PolarHBondContact O-N 3.08Å; D86-A89 PolarHBondContact O-N 3.08Å; D86-N90 PolarHBondContact O-N 3.46Å; D86-N90 PolarHBondContact OD1-ND2 3.04Å; D86-Y94 WeakPolarHBondContact OD2-CE2 3.47Å; D86-Y94 VanDerWaalsContact OD2-CZ 3.31Å; D86-Y94 PolarHBondContact OD2-OH 3.26Å
87V97.5Very high96.8Very high0 Ų044 Ų440%024%0.239CC..Hα-helixtrans-65-37174.2-177.80000110.7E41 V83 K84 E85 Q91 Y94 L96 Y98E41-V87 HydrophobicContact CB-CG2 3.88Å; V83-V87 HydrophobicContact CG1-CB 3.57Å; V83-V87 HydrophobicContact CG1-CG1 3.83Å; V83-V87 HydrophobicContact CG1-CG2 3.61Å; K84-V87 HydrophobicContact CB-CG2 4.26Å; K84-V87 WeakPolarHBondContact O-CB 3.41Å; K84-V87 PolarHBondContact O-N 2.87Å; E85-V87 PolarHBondContact O-N 3.03Å; V87-Q91 WeakPolarHBondContact O-CA 3.34Å; V87-Q91 WeakPolarHBondContact O-CB 3.14Å; V87-Q91 PolarHBondContact O-N 3.45Å; V87-Y94 HydrophobicContact CB-CD2 4.21Å; V87-Y94 HydrophobicContact CB-CG 4.25Å; V87-Y94 HydrophobicContact CG1-CD2 4.25Å; V87-Y94 HydrophobicContact CG1-CG 3.98Å; V87-Y94 HydrophobicContact CG2-CD1 3.85Å; V87-Y94 HydrophobicContact CG2-CD2 4.18Å; V87-Y94 HydrophobicContact CG2-CE1 3.99Å; V87-Y94 HydrophobicContact CG2-CE2 4.31Å; V87-Y94 HydrophobicContact CG2-CG 3.96Å; V87-L96 WeakPolarHBondContact CG1-O 3.37Å; V87-Y98 HydrophobicContact CB-CD2 4.47Å
88G95.6Very high96.8Very high38 Ų3843.3 Ų43.339%0.39223%0.233SC..Hα-helixtrans-72.9-37.3175.400000112.4E85 D86E85-G88 WeakPolarHBondContact O-CA 3.49Å; E85-G88 PolarHBondContact O-N 2.64Å; D86-G88 VanDerWaalsContact C-N 3.29Å; D86-G88 PolarHBondContact O-N 3.08Å
89A96.7Very high97Very high73 Ų7340.4 Ų40.460%0.60321%0.213SC*.Hα-helixtrans-73-35.1-179.900000113.5E85 D86E85-A89 PolarHBondContact O-N 3.28Å; D86-A89 PolarHBondContact O-N 3.08Å
90N96.5Very high97Very high58 Ų5842 Ų4231%0.3122%0.224SC..THydrogen-bonded Turntrans-130.245.5-173-59.1-63.9000111.6D86 E92 L93 Y94D86-N90 PolarHBondContact O-N 3.46Å; D86-N90 PolarHBondContact OD1-ND2 3.04Å; N90-E92 WeakPolarHBondContact CA-OE2 3.42Å; N90-E92 PolarHBondContact O-N 3.17Å; N90-L93 HydrophobicContact CB-CD1 3.99Å; N90-L93 HydrophobicContact CB-CG 4.26Å; N90-L93 WeakPolarHBondContact O-CB 3.32Å; N90-L93 PolarHBondContact O-N 3.28Å; N90-Y94 HydrophobicContact CB-CE2 4.39Å; N90-Y94 VanDerWaalsContact O-CD2 3.25Å; N90-Y94 WeakPolarHBondContact O-CD2 3.33Å
91Q95.8Very high97Very high46 Ų4645.4 Ų45.422%0.21524%0.24CC..G310 helixtrans-50.6-28.2-172.2-179.662.384.300114.3V87 L93 Y94 L96V87-Q91 WeakPolarHBondContact O-CA 3.34Å; V87-Q91 WeakPolarHBondContact O-CB 3.14Å; V87-Q91 PolarHBondContact O-N 3.45Å; Q91-L93 VanDerWaalsContact C-N 3.26Å; Q91-L93 PolarHBondContact O-N 3.5Å; Q91-Y94 PolarHBondContact NE2-O 3.39Å; Q91-Y94 PolarHBondContact O-N 3.07Å; Q91-L96 PolarHBondContact NE2-O 2.85Å
92E94.9Very high97Very high135 Ų13545.5 Ų45.563%0.63124%0.241SC*.G310 helixtrans-65.9-21176.972.9-72.4172.400114.7N90 Y94N90-E92 WeakPolarHBondContact CA-OE2 3.42Å; N90-E92 PolarHBondContact O-N 3.17Å; E92-Y94 VanDerWaalsContact C-N 3.32Å
93L96.8Very high97Very high33 Ų3341.8 Ų41.817%0.17323%0.225CC..G310 helixtrans-84.9-11175.8-57-176.6000112.5S2 L3 H5 N90 Q91S2-L93 WeakPolarHBondContact CA-O 3.44Å; L3-L93 HydrophobicContact CB-CB 4.47Å; L3-L93 HydrophobicContact CB-CD2 4.31Å; L3-L93 PolarHBondContact N-O 3.07Å; H5-L93 WeakPolarHBondContact O-CD2 3.49Å; N90-L93 HydrophobicContact CB-CD1 3.99Å; N90-L93 HydrophobicContact CB-CG 4.26Å; N90-L93 WeakPolarHBondContact O-CB 3.32Å; N90-L93 PolarHBondContact O-N 3.28Å; Q91-L93 VanDerWaalsContact C-N 3.26Å; Q91-L93 PolarHBondContact O-N 3.5Å
94Y97Very high97.1Very high26 Ų2641.9 Ų41.910%0.10223%0.226CC..  trans-120.4135.1-169.2-65.1-82.2000111.7E41 D86 V87 N90 Q91 E92E41-Y94 HydrophobicContact CB-CD1 3.79Å; E41-Y94 HydrophobicContact CB-CE1 3.95Å; D86-Y94 WeakPolarHBondContact OD2-CE2 3.47Å; D86-Y94 VanDerWaalsContact OD2-CZ 3.31Å; D86-Y94 PolarHBondContact OD2-OH 3.26Å; V87-Y94 HydrophobicContact CB-CD2 4.21Å; V87-Y94 HydrophobicContact CB-CG 4.25Å; V87-Y94 HydrophobicContact CG1-CD2 4.25Å; V87-Y94 HydrophobicContact CG1-CG 3.98Å; V87-Y94 HydrophobicContact CG2-CD1 3.85Å; V87-Y94 HydrophobicContact CG2-CD2 4.18Å; V87-Y94 HydrophobicContact CG2-CE1 3.99Å; V87-Y94 HydrophobicContact CG2-CE2 4.31Å; V87-Y94 HydrophobicContact CG2-CG 3.96Å; N90-Y94 HydrophobicContact CB-CE2 4.39Å; N90-Y94 VanDerWaalsContact O-CD2 3.25Å; N90-Y94 WeakPolarHBondContact O-CD2 3.33Å; Q91-Y94 PolarHBondContact NE2-O 3.39Å; Q91-Y94 PolarHBondContact O-N 3.07Å; E92-Y94 VanDerWaalsContact C-N 3.32Å
95S96.2Very high97Very high22 Ų2238.2 Ų38.215%0.15421%0.21CC..SBendtrans-78.9-23.6164.767.70000112.5R156 V157S95-R156 CarbonylContact O-C 3.28Å; S95-R156 WeakPolarHBondContact O-CA 3.44Å; S95-R156 WeakPolarHBondContact O-CB 3.11Å; S95-R156 WeakPolarHBondContact O-CD 3.41Å; S95-R156 WeakPolarHBondContact OG-CD 3.19Å; S95-R156 PolarHBondContact OG-NH1 3.08Å; S95-V157 PolarHBondContact O-N 2.9Å
96L97.7Very high96.9Very high1 Ų133.6 Ų33.61%0.00519%0.189CC..BIsolated β-bridgetrans-73.2133.5176.2-17177.2000109.6E41 L42 V83 V87 Q91 E112 G155E41-L96 HydrophobicContact CB-CB 4.44Å; E41-L96 HydrophobicContact CB-CD2 4.04Å; E41-L96 HydrophobicContact CG-CB 3.81Å; E41-L96 HydrophobicContact CG-CD2 3.52Å; E41-L96 HydrophobicContact CG-CG 4.23Å; L42-L96 HydrophobicContact CD2-CD2 3.51Å; L42-L96 HydrophobicContact CG-CD2 4.13Å; V83-L96 HydrophobicContact CB-CD2 4.44Å; V83-L96 HydrophobicContact CG1-CD2 3.79Å; V83-L96 HydrophobicContact CG2-CD2 3.96Å; V87-L96 WeakPolarHBondContact CG1-O 3.37Å; Q91-L96 PolarHBondContact NE2-O 2.85Å; L96-E112 HydrophobicContact CD1-CB 3.73Å; L96-G155 CarbonylContact C-O 3.55Å; L96-G155 WeakPolarHBondContact CA-O 3.36Å; L96-G155 VanDerWaalsContact CD1-O 3.3Å; L96-G155 WeakPolarHBondContact CD1-O 3.28Å
97L98Very high96.7Very high0 Ų030.4 Ų30.40%017%0.172CC..PPolyproline II helixtrans-80.6131.7174.9-60.7175.9000109.4M144 Y148 P152 G155 V157 L160L97-M144 HydrophobicContact CB-CE 4.36Å; L97-M144 HydrophobicContact CB-SD 4.24Å; L97-M144 HydrophobicContact CD1-SD 3.9Å; L97-Y148 HydrophobicContact CD1-CE2 4.11Å; L97-Y148 HydrophobicContact CD2-CE2 4.3Å; L97-P152 HydrophobicContact CD1-CG 4.02Å; L97-G155 PolarHBondContact N-O 2.94Å; L97-V157 HydrophobicContact CD2-CB 4.47Å; L97-V157 HydrophobicContact CD2-CG1 3.64Å; L97-L160 HydrophobicContact CD1-CD2 3.79Å; L97-L160 HydrophobicContact CD1-CG 4.29Å; L97-L160 HydrophobicContact CD2-CD1 4.27Å
98Y98.2Very high96.2Very high38 Ų3832.6 Ų32.615%0.14920%0.195CC..PPolyproline II helixtrans-63.5139.8173.8-179.3-97.6000111.7V83 E85 V87 P100 Y143 M144V83-Y98 HydrophobicContact CB-CD2 4.32Å; V83-Y98 HydrophobicContact CG1-CD2 4.01Å; E85-Y98 WeakPolarHBondContact OE2-CE2 3.3Å; E85-Y98 PolarHBondContact OE2-OH 3.27Å; V87-Y98 HydrophobicContact CB-CD2 4.47Å; Y98-P100 HydrophobicContact CE1-CB 4.35Å; Y98-Y143 HydrophobicContact CD1-CE1 4.35Å; Y98-Y143 VanDerWaalsContact O-CE1 3.29Å; Y98-Y143 WeakPolarHBondContact O-CE1 3.43Å; Y98-M144 VanDerWaalsContact O-CE 3.23Å; Y98-M144 WeakPolarHBondContact O-CE 3.12Å
99V98.1Very high95.8Very high0 Ų036.2 Ų36.20%020%0.197CC..  trans-137.5143167.1-75.30000109.3V83 F103 F113 N140 Y143 M144V83-V99 HydrophobicContact CG2-CG2 3.56Å; V99-F103 HydrophobicContact CG2-CD1 4Å; V99-F103 HydrophobicContact CG2-CE1 4.09Å; V99-F113 HydrophobicContact CG1-CD1 4.38Å; V99-F113 HydrophobicContact CG1-CE1 3.59Å; V99-F113 HydrophobicContact CG1-CZ 4.08Å; V99-F113 HydrophobicContact CG2-CD1 4.44Å; V99-F113 HydrophobicContact CG2-CE1 4.27Å; V99-N140 HydrophobicContact CB-CB 3.95Å; V99-N140 HydrophobicContact CG1-CB 3.91Å; V99-N140 HydrophobicContact CG2-CB 4.46Å; V99-Y143 HydrophobicContact CG1-CD1 4.41Å; V99-M144 HydrophobicContact CG1-CE 3.66Å
100P97.2Very high95.4Very high44 Ų4433.9 Ų33.929%0.28617%0.173SC..SBendtrans-76.9-25.6-17027.4-34.4000114.7Y98 N140 Y143Y98-P100 HydrophobicContact CE1-CB 4.35Å; P100-N140 WeakPolarHBondContact CD-OD1 3.49Å; P100-Y143 HydrophobicContact CG-CD2 4.36Å; P100-Y143 HydrophobicContact CG-CG 4.33Å
101H98.1Very high95.2Very high71 Ų7135.5 Ų35.533%0.32917%0.174SC..SBendtrans-105.9159-178-54.4-75.8000111.9K139 N140H101-K139 VanDerWaalsContact CD2-CB 3.41Å; H101-K139 WeakPolarHBondContact CD2-CB 3.49Å; H101-K139 WeakPolarHBondContact NE2-CD 3.25Å; H101-N140 WeakPolarHBondContact CA-OD1 3.34Å; H101-N140 VanDerWaalsContact CB-OD1 3.29Å; H101-N140 WeakPolarHBondContact CB-OD1 3.34Å; H101-N140 PolarHBondContact CD2-OD1 3.29Å; H101-N140 PolarHBondContact N-OD1 2.8Å; H101-N140 PolarHBondContact O-ND2 3.48Å
102Q97.5Very high95.1Very high38 Ų3833.8 Ų33.818%0.17817%0.166CC..  trans-61.3158.7167.171.7-173.81600111.4R81 K82 T133 N140R81-Q102 CarbonylContact O-C 3.31Å; R81-Q102 WeakPolarHBondContact O-CA 3.47Å; K82-Q102 HydrophobicContact CB-CB 4.5Å; Q102-T133 PolarHBondContact NE2-OG1 2.05Å; Q102-N140 PolarHBondContact O-ND2 2.63Å
103F97.7Very high95.1Very high2 Ų227.6 Ų27.61%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-149.8161.9178.361.9-79.3000111L42 R81 V83 V99 I105 F113 M137L42-F103 HydrophobicContact CD2-CE1 4.26Å; L42-F103 HydrophobicContact CD2-CZ 3.85Å; R81-F103 HydrophobicContact CB-CE1 4.31Å; R81-F103 HydrophobicContact CB-CE2 4.39Å; R81-F103 HydrophobicContact CB-CZ 4.08Å; R81-F103 PolarHBondContact N-O 3.36Å; R81-F103 WeakPolarHBondContact O-CD1 3.24Å; R81-F103 PolarHBondContact O-N 3.08Å; V83-F103 HydrophobicContact CG2-CE1 3.64Å; V83-F103 HydrophobicContact CG2-CZ 4.29Å; V99-F103 HydrophobicContact CG2-CD1 4Å; V99-F103 HydrophobicContact CG2-CE1 4.09Å; F103-I105 HydrophobicContact CD2-CG2 4.06Å; F103-I105 HydrophobicContact CE2-CG2 3.51Å; F103-I105 HydrophobicContact CZ-CG2 4.4Å; F103-F113 HydrophobicContact CD2-CB 3.77Å; F103-F113 HydrophobicContact CE2-CB 4.1Å; F103-F113 HydrophobicContact CE2-CD1 4.45Å; F103-F113 HydrophobicContact CG-CB 4.43Å; F103-M137 HydrophobicContact CB-CG 3.95Å; F103-M137 HydrophobicContact CB-SD 4.48Å
104I97.7Very high95.1Very high3 Ų327.3 Ų27.32%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-98.3122.7175.1-56.2-53.6000108.6W76 L79 C80 T121 L125 T133 M137W76-I104 HydrophobicContact CE3-CG2 3.75Å; W76-I104 HydrophobicContact CZ3-CG2 3.93Å; L79-I104 HydrophobicContact CB-CG2 3.64Å; L79-I104 HydrophobicContact CD1-CG2 4.28Å; L79-I104 WeakPolarHBondContact O-CA 3.4Å; C80-I104 HydrophobicContact CB-CD1 3.86Å; I104-T121 HydrophobicContact CB-CG2 3.61Å; I104-T121 HydrophobicContact CG1-CG2 4.3Å; I104-T121 HydrophobicContact CG2-CG2 3.45Å; I104-T121 VanDerWaalsContact CG2-CG2 3.45Å; I104-L125 HydrophobicContact CG1-CD1 4.03Å; I104-L125 HydrophobicContact CG1-CD2 4.2Å; I104-T133 HydrophobicContact CD1-CG2 4.43Å; I104-T133 HydrophobicContact CG1-CG2 4.41Å; I104-M137 HydrophobicContact CB-CE 4.22Å; I104-M137 HydrophobicContact CB-SD 4Å; I104-M137 HydrophobicContact CG1-SD 3.8Å; I104-M137 PolarHBondContact N-SD 2.99Å
105I96.5Very high95.2Very high7 Ų726 Ų264%0.03613%0.129CC..  trans-77.2159.3173.461.3175.8000111.1L79 R81 F103L79-I105 HydrophobicContact CB-CG1 4.29Å; L79-I105 HydrophobicContact CD2-CG1 4.1Å; L79-I105 WeakPolarHBondContact O-CG1 3.39Å; L79-I105 PolarHBondContact O-N 3.42Å; R81-I105 HydrophobicContact CB-CG2 4.35Å; R81-I105 HydrophobicContact CG-CD1 4.2Å; R81-I105 HydrophobicContact CG-CG1 4.44Å; R81-I105 HydrophobicContact CG-CG2 3.93Å; F103-I105 HydrophobicContact CD2-CG2 4.06Å; F103-I105 HydrophobicContact CE2-CG2 3.51Å; F103-I105 HydrophobicContact CZ-CG2 4.4Å
106P94.9Very high95.3Very high3 Ų325.2 Ų25.22%0.01912%0.123CC..  trans-60.7-49.4173.1-21.332000112.4F110 E112 Y114 D117 F479 G480P106-F110 HydrophobicContact CB-CB 4.15Å; P106-F110 HydrophobicContact CB-CD2 4.41Å; P106-F110 HydrophobicContact CG-CB 4.03Å; P106-E112 WeakPolarHBondContact CD-O 3.25Å; P106-Y114 HydrophobicContact CG-CD2 3.69Å; P106-Y114 HydrophobicContact CG-CE2 4.47Å; P106-Y114 HydrophobicContact CG-CG 4.36Å; P106-D117 HydrophobicContact CG-CB 4.46Å; P106-F479 HydrophobicContact CB-CD1 4.16Å; P106-F479 HydrophobicContact CB-CD2 4.32Å; P106-F479 HydrophobicContact CB-CE1 3.61Å; P106-F479 HydrophobicContact CB-CE2 3.78Å; P106-F479 HydrophobicContact CB-CZ 3.41Å; P106-F479 VanDerWaalsContact CB-CZ 3.41Å; P106-F479 HydrophobicContact CG-CZ 4.45Å; P106-F479 CarbonylContact O-C 3.53Å; P106-F479 VanDerWaalsContact O-CA 3.23Å; P106-F479 WeakPolarHBondContact O-CA 3.31Å; P106-G480 PolarHBondContact O-N 3.41Å
107G92.4Very high95.3Very high1 Ų125.7 Ų25.71%0.0113%0.125CC..BIsolated β-bridgetrans136.4167.2-179.400000113.4R109 F110 T477G107-R109 PolarHBondContact O-N 3.02Å; G107-F110 WeakPolarHBondContact O-CB 3.41Å; G107-F110 WeakPolarHBondContact O-CD2 3.33Å; G107-F110 PolarHBondContact O-N 3.06Å; G107-T477 CarbonylContact C-O 3.51Å; G107-T477 VanDerWaalsContact C-O 3.31Å; G107-T477 WeakPolarHBondContact CA-O 3.46Å
108G87.8Confident95.3Very high46 Ų4625.9 Ų25.947%0.47413%0.127SC..THydrogen-bonded Turntrans59.5-126.8179.300000113F110 T477G108-F110 PolarHBondContact O-N 3.34Å; G108-T477 PolarHBondContact N-O 2.87Å; G108-T477 VanDerWaalsContact N-O 3.11Å
109R85.9Confident95.3Very high114 Ų11424.1 Ų24.143%0.4312%0.12SC..THydrogen-bonded Turntrans-66.2-22.3-179.572.9179.1-75176.3-4.2114.1G107 R111 Y473 Q476G107-R109 PolarHBondContact O-N 3.02Å; R109-R111 PolarHBondContact O-N 3.31Å; R109-Y473 VanDerWaalsContact NH1-CB 3.27Å; R109-Q476 HydrophobicContact CG-CG 4.13Å
110F89Confident95.4Very high23 Ų2324.1 Ų24.110%0.10112%0.12CC..BIsolated β-bridgetrans-79.597.5-173.7-60.6-60.8000110.3P106 G107 G108 Y114 Y473 Q476 F479P106-F110 HydrophobicContact CB-CB 4.15Å; P106-F110 HydrophobicContact CB-CD2 4.41Å; P106-F110 HydrophobicContact CG-CB 4.03Å; G107-F110 WeakPolarHBondContact O-CB 3.41Å; G107-F110 WeakPolarHBondContact O-CD2 3.33Å; G107-F110 PolarHBondContact O-N 3.06Å; G108-F110 PolarHBondContact O-N 3.34Å; F110-Y114 HydrophobicContact CB-CD2 4.37Å; F110-Y114 HydrophobicContact CB-CE2 3.77Å; F110-Y114 AromaticContact CD1-CE2 3.65Å; F110-Y114 HydrophobicContact CD1-CE2 3.65Å; F110-Y114 AromaticContact CD1-CZ 3.6Å; F110-Y114 WeakPolarHBondContact CD1-OH 3.37Å; F110-Y114 HydrophobicContact CG-CE2 4.03Å; F110-Y473 HydrophobicContact CE2-CE2 4.23Å; F110-Y473 AromaticContact CZ-CE2 3.82Å; F110-Y473 HydrophobicContact CZ-CE2 3.82Å; F110-Y473 AromaticContact CZ-CZ 3.76Å; F110-Q476 HydrophobicContact CD2-CB 4.4Å; F110-Q476 HydrophobicContact CD2-CG 4.09Å; F110-Q476 HydrophobicContact CE2-CB 4.14Å; F110-Q476 HydrophobicContact CE2-CG 3.59Å; F110-Q476 HydrophobicContact CZ-CG 4.38Å; F110-F479 AromaticContact CD2-CE2 3.69Å; F110-F479 HydrophobicContact CD2-CE2 3.69Å; F110-F479 HydrophobicContact CD2-CZ 4.19Å; F110-F479 AromaticContact CE2-CE2 3.78Å; F110-F479 HydrophobicContact CE2-CE2 3.78Å; F110-F479 HydrophobicContact CE2-CZ 4.25Å
111R91.1Very high95.4Very high92 Ų9222.1 Ų22.135%0.34711%0.107SC..  trans-110.335-172.3-68.9176.9-73.4-157.3-8.6111.6P38 L42 R109P38-R111 VanDerWaalsContact C-NH1 3.32Å; P38-R111 VanDerWaalsContact CB-CZ 3.42Å; P38-R111 PolarHBondContact O-NH1 2.91Å; L42-R111 HydrophobicContact CD1-CB 4.13Å; L42-R111 VanDerWaalsContact CD1-O 3.28Å; L42-R111 WeakPolarHBondContact CD1-O 3.39Å; R109-R111 PolarHBondContact O-N 3.31Å
112E94Very high95.4Very high10 Ų1018.7 Ų18.75%0.0479%0.091CC..SBendtrans-148.4163.7175.949.3-76.5146.600107.9L96 P106 Y114 R156 F159L96-E112 HydrophobicContact CD1-CB 3.73Å; P106-E112 WeakPolarHBondContact CD-O 3.25Å; E112-Y114 HydrophobicContact CG-CD2 4.31Å; E112-Y114 HydrophobicContact CG-CE2 3.61Å; E112-Y114 WeakPolarHBondContact O-CD2 3.33Å; E112-Y114 VanDerWaalsContact OE1-CE2 3.26Å; E112-Y114 WeakPolarHBondContact OE1-CE2 3.41Å; E112-Y114 PolarHBondContact OE1-OH 2.98Å; E112-R156 HydrophobicContact CB-CG 4.34Å; E112-R156 HydrophobicContact CG-CG 3.95Å; E112-R156 IonicContact OE2-CZ 3.63Å; E112-R156 IonicContact OE2-NE 3.92Å; E112-R156 PolarHBondContact OE2-NE 3.35Å; E112-R156 IonicContact OE2-NH2 3.38Å; E112-R156 PolarHBondContact OE2-NH2 3.17Å; E112-R156 VanDerWaalsContact OE2-NH2 3.08Å; E112-F159 HydrophobicContact CG-CE2 4.43Å
113F95.5Very high95.4Very high5 Ų518 Ų182%0.0229%0.087CC..  trans-68.9145.5167.862.7-93.5000108.9V99 F103 L141 M144 G154 G155V99-F113 HydrophobicContact CG1-CD1 4.38Å; V99-F113 HydrophobicContact CG1-CE1 3.59Å; V99-F113 HydrophobicContact CG1-CZ 4.08Å; V99-F113 HydrophobicContact CG2-CD1 4.44Å; V99-F113 HydrophobicContact CG2-CE1 4.27Å; F103-F113 HydrophobicContact CD2-CB 3.77Å; F103-F113 HydrophobicContact CE2-CB 4.1Å; F103-F113 HydrophobicContact CE2-CD1 4.45Å; F103-F113 HydrophobicContact CG-CB 4.43Å; F113-L141 HydrophobicContact CD2-CD2 4.38Å; F113-M144 HydrophobicContact CE2-CG 4.08Å; F113-M144 HydrophobicContact CZ-CG 3.71Å; F113-M144 HydrophobicContact CZ-SD 3.73Å; F113-G154 CarbonylContact O-C 3.15Å; F113-G154 WeakPolarHBondContact O-CA 3.49Å; F113-G155 PolarHBondContact O-N 3.21Å
114Y97.7Very high95.4Very high27 Ų2717.9 Ų17.911%0.1069%0.087CC..BIsolated β-bridgetrans-119.2138.6170.2-77.6-98.3000108.7P106 F110 E112 D117 T118 N153 F159P106-Y114 HydrophobicContact CG-CD2 3.69Å; P106-Y114 HydrophobicContact CG-CE2 4.47Å; P106-Y114 HydrophobicContact CG-CG 4.36Å; F110-Y114 HydrophobicContact CB-CD2 4.37Å; F110-Y114 HydrophobicContact CB-CE2 3.77Å; F110-Y114 AromaticContact CD1-CE2 3.65Å; F110-Y114 HydrophobicContact CD1-CE2 3.65Å; F110-Y114 AromaticContact CD1-CZ 3.6Å; F110-Y114 WeakPolarHBondContact CD1-OH 3.37Å; F110-Y114 HydrophobicContact CG-CE2 4.03Å; E112-Y114 HydrophobicContact CG-CD2 4.31Å; E112-Y114 HydrophobicContact CG-CE2 3.61Å; E112-Y114 WeakPolarHBondContact O-CD2 3.33Å; E112-Y114 VanDerWaalsContact OE1-CE2 3.26Å; E112-Y114 WeakPolarHBondContact OE1-CE2 3.41Å; E112-Y114 PolarHBondContact OE1-OH 2.98Å; Y114-D117 VanDerWaalsContact CB-OD2 3.29Å; Y114-D117 WeakPolarHBondContact CB-OD2 3.45Å; Y114-T118 WeakPolarHBondContact O-CB 3.48Å; Y114-T118 PolarHBondContact O-N 3.23Å; Y114-T118 VanDerWaalsContact O-N 3.12Å; Y114-T118 PolarHBondContact O-OG1 3.35Å; Y114-N153 CarbonylContact C-O 3.49Å; Y114-N153 WeakPolarHBondContact CA-O 3.37Å; Y114-N153 VanDerWaalsContact CD1-OD1 3.3Å; Y114-N153 WeakPolarHBondContact CD1-OD1 3.42Å; Y114-N153 WeakPolarHBondContact CE1-OD1 3.19Å; Y114-F159 HydrophobicContact CE1-CE2 4.16Å; Y114-F159 AromaticContact CE1-CZ 3.99Å; Y114-F159 HydrophobicContact CE1-CZ 3.99Å
115Y98.6Very high95.3Very high0 Ų017.8 Ų17.80%09%0.086CC..Hα-helixtrans-65.1-63.1-164.6177.1-162.9000112.4D117 T118 L141 I151 N153 Q164 P166 L167 F168 M171 E195Y115-D117 PolarHBondContact O-N 3.45Å; Y115-T118 VanDerWaalsContact O-CB 3.26Å; Y115-T118 WeakPolarHBondContact O-CB 3.09Å; Y115-T118 PolarHBondContact O-N 3.13Å; Y115-L141 HydrophobicContact CD2-CD1 4.23Å; Y115-L141 HydrophobicContact CD2-CD2 4.4Å; Y115-L141 HydrophobicContact CE2-CD1 4.26Å; Y115-I151 HydrophobicContact CD1-CB 3.66Å; Y115-I151 HydrophobicContact CD1-CG2 3.63Å; Y115-I151 HydrophobicContact CD2-CB 4.12Å; Y115-I151 HydrophobicContact CD2-CD1 3.97Å; Y115-I151 HydrophobicContact CD2-CG2 3.55Å; Y115-I151 HydrophobicContact CE1-CB 3.69Å; Y115-I151 HydrophobicContact CE1-CD1 4.05Å; Y115-I151 HydrophobicContact CE1-CG1 4.4Å; Y115-I151 HydrophobicContact CE1-CG2 4.11Å; Y115-I151 HydrophobicContact CE2-CB 4.21Å; Y115-I151 HydrophobicContact CE2-CD1 3.4Å; Y115-I151 HydrophobicContact CE2-CG1 4.39Å; Y115-I151 HydrophobicContact CE2-CG2 4.11Å; Y115-I151 HydrophobicContact CG-CB 3.89Å; Y115-I151 HydrophobicContact CG-CG2 3.33Å; Y115-I151 VanDerWaalsContact CZ-CD1 3.42Å; Y115-N153 PolarHBondContact N-O 2.6Å; Y115-Q164 HydrophobicContact CD1-CB 3.97Å; Y115-Q164 HydrophobicContact CG-CB 4.33Å; Y115-Q164 VanDerWaalsContact N-OE1 3.11Å; Y115-P166 HydrophobicContact CE1-CB 4.5Å; Y115-P166 VanDerWaalsContact OH-CA 3.32Å; Y115-P166 WeakPolarHBondContact OH-CA 3.37Å; Y115-L167 PolarHBondContact OH-N 2.75Å; Y115-F168 HydrophobicContact CE2-CB 3.86Å; Y115-F168 WeakPolarHBondContact OH-CB 3.43Å; Y115-F168 PolarHBondContact OH-N 3.03Å; Y115-M171 HydrophobicContact CD2-CE 4.26Å; Y115-M171 HydrophobicContact CE2-CE 4.09Å; Y115-E195 WeakPolarHBondContact CE1-OE1 3.41Å; Y115-E195 PolarHBondContact OH-OE1 3.06Å; Y115-E195 PolarHBondContact OH-OE2 2.72Å; Y115-E195 VanDerWaalsContact OH-OE2 3.1Å
116W98.2Very high95.3Very high5 Ų518.3 Ų18.32%0.0199%0.089CC..Hα-helixtrans-72-31.7-175.376.9-30.5000112.1T118 F119 W120 Q164 P165 L167 G258 W259 W403 W481W116-T118 PolarHBondContact O-N 3.29Å; W116-F119 VanDerWaalsContact O-CB 3.3Å; W116-F119 WeakPolarHBondContact O-CB 3.43Å; W116-F119 PolarHBondContact O-N 3.5Å; W116-W120 HydrophobicContact CB-CZ3 4.17Å; W116-W120 HydrophobicContact CD2-CH2 4.41Å; W116-W120 HydrophobicContact CD2-CZ3 4.03Å; W116-W120 AromaticContact CE3-CH2 3.89Å; W116-W120 HydrophobicContact CE3-CH2 3.89Å; W116-W120 AromaticContact CE3-CZ3 3.98Å; W116-W120 HydrophobicContact CE3-CZ3 3.98Å; W116-W120 HydrophobicContact CG-CZ3 4.14Å; W116-W120 HydrophobicContact CZ3-CH2 4.5Å; W116-W120 WeakPolarHBondContact O-CZ3 3.39Å; W116-Q164 HydrophobicContact CB-CB 4.47Å; W116-Q164 VanDerWaalsContact CD1-NE2 3.31Å; W116-Q164 HydrophobicContact CG-CG 4.47Å; W116-P165 HydrophobicContact CB-CB 4.06Å; W116-P165 HydrophobicContact CB-CG 4.37Å; W116-P165 HydrophobicContact CD2-CB 4.28Å; W116-P165 HydrophobicContact CD2-CG 3.82Å; W116-P165 HydrophobicContact CE3-CB 3.73Å; W116-P165 HydrophobicContact CE3-CG 3.37Å; W116-P165 HydrophobicContact CG-CB 4.44Å; W116-P165 HydrophobicContact CG-CG 4.25Å; W116-P165 HydrophobicContact CZ3-CG 3.88Å; W116-L167 HydrophobicContact CB-CD1 4.25Å; W116-G258 VanDerWaalsContact CH2-O 3.32Å; W116-G258 WeakPolarHBondContact CH2-O 3.49Å; W116-G258 WeakPolarHBondContact CZ2-O 3.5Å; W116-W259 AromaticContact CH2-CD1 3.7Å; W116-W259 AromaticContact CH2-NE1 3.76Å; W116-W403 AromaticContact CH2-CH2 3.43Å; W116-W403 HydrophobicContact CH2-CH2 3.43Å; W116-W403 VanDerWaalsContact CH2-CH2 3.43Å; W116-W403 HydrophobicContact CH2-CZ2 4.01Å; W116-W403 AromaticContact CH2-CZ3 3.93Å; W116-W403 HydrophobicContact CH2-CZ3 3.93Å; W116-W403 AromaticContact CZ2-CH2 3.48Å; W116-W403 HydrophobicContact CZ2-CH2 3.48Å; W116-W403 VanDerWaalsContact CZ2-CH2 3.48Å; W116-W403 AromaticContact CZ2-CZ2 3.68Å; W116-W403 HydrophobicContact CZ2-CZ2 3.68Å; W116-W403 HydrophobicContact CZ2-CZ3 4.4Å; W116-W481 AromaticContact CE2-CZ3 3.95Å; W116-W481 HydrophobicContact CZ2-CH2 4.49Å; W116-W481 AromaticContact CZ2-CZ3 3.89Å; W116-W481 HydrophobicContact CZ2-CZ3 3.89Å; W116-W481 AromaticContact NE1-CZ3 3.84Å
117D97.6Very high95.2Very high10 Ų1019.7 Ų19.75%0.05310%0.097CC..Hα-helixtrans-54.4-40.3173.7-63-115000111.3P106 Y114 Y115 F119 W120 T121 W481P106-D117 HydrophobicContact CG-CB 4.46Å; Y114-D117 VanDerWaalsContact CB-OD2 3.29Å; Y114-D117 WeakPolarHBondContact CB-OD2 3.45Å; Y115-D117 PolarHBondContact O-N 3.45Å; D117-F119 PolarHBondContact O-N 3.43Å; D117-F119 VanDerWaalsContact O-N 3.08Å; D117-W120 PolarHBondContact O-N 3.05Å; D117-T121 PolarHBondContact O-N 2.93Å; D117-T121 PolarHBondContact O-OG1 2.89Å; D117-W481 HydrophobicContact CB-CE3 4.39Å; D117-W481 WeakPolarHBondContact OD1-CZ3 3.38Å
118T98.3Very high95.3Very high5 Ų519.7 Ų19.73%0.03110%0.097CC..Hα-helixtrans-53.5-31.4178.5-680000111.5Y114 Y115 W116 F122 M137 L141 M171Y114-T118 WeakPolarHBondContact O-CB 3.48Å; Y114-T118 PolarHBondContact O-N 3.23Å; Y114-T118 VanDerWaalsContact O-N 3.12Å; Y114-T118 PolarHBondContact O-OG1 3.35Å; Y115-T118 VanDerWaalsContact O-CB 3.26Å; Y115-T118 WeakPolarHBondContact O-CB 3.09Å; Y115-T118 PolarHBondContact O-N 3.13Å; W116-T118 PolarHBondContact O-N 3.29Å; T118-F122 WeakPolarHBondContact O-CB 3.31Å; T118-F122 PolarHBondContact O-N 3.15Å; T118-M137 HydrophobicContact CG2-CE 3.67Å; T118-L141 HydrophobicContact CG2-CD1 4.02Å; T118-M171 HydrophobicContact CG2-CE 4.06Å; T118-M171 HydrophobicContact CG2-SD 3.9Å
119F98.5Very high95.6Very high0 Ų020.5 Ų20.50%09%0.091CC..Hα-helixtrans-63.1-49.3-178.9177-118.9000111.8W116 D117 F122 K123 L167 R170 M171 E174 Y362W116-F119 VanDerWaalsContact O-CB 3.3Å; W116-F119 WeakPolarHBondContact O-CB 3.43Å; W116-F119 PolarHBondContact O-N 3.5Å; D117-F119 PolarHBondContact O-N 3.43Å; D117-F119 VanDerWaalsContact O-N 3.08Å; F119-F122 HydrophobicContact CD2-CD1 4.35Å; F119-F122 WeakPolarHBondContact O-CB 3.33Å; F119-F122 PolarHBondContact O-N 3.44Å; F119-K123 HydrophobicContact CE1-CD 3.97Å; F119-K123 HydrophobicContact CE2-CD 4.45Å; F119-K123 HydrophobicContact CE2-CG 4.3Å; F119-K123 HydrophobicContact CZ-CD 3.87Å; F119-K123 HydrophobicContact CZ-CG 4.2Å; F119-K123 WeakPolarHBondContact O-CG 3.47Å; F119-K123 PolarHBondContact O-N 3.1Å; F119-L167 HydrophobicContact CB-CB 4.11Å; F119-L167 HydrophobicContact CB-CD1 3.82Å; F119-L167 HydrophobicContact CD1-CD1 3.81Å; F119-L167 HydrophobicContact CG-CB 4.25Å; F119-L167 HydrophobicContact CG-CD1 3.94Å; F119-R170 HydrophobicContact CD2-CG 4.45Å; F119-R170 HydrophobicContact CE2-CB 4.44Å; F119-R170 HydrophobicContact CE2-CG 3.63Å; F119-R170 HydrophobicContact CZ-CG 3.8Å; F119-M171 HydrophobicContact CB-CE 3.73Å; F119-M171 HydrophobicContact CB-CG 4.35Å; F119-M171 HydrophobicContact CD2-CG 3.65Å; F119-M171 HydrophobicContact CG-CG 4.48Å; F119-E174 WeakPolarHBondContact CZ-OE1 3.37Å; F119-Y362 WeakPolarHBondContact CE1-OH 3.47Å; F119-Y362 WeakPolarHBondContact CZ-OH 3.35Å
120W98.5Very high96.2Very high0 Ų015.1 Ų15.10%07%0.07CC..Hα-helixtrans-75.2-35.4-177.7-66.8-78.2000112W116 D117 F122 K123 G124 L167 P411 H414 M415 W481 G484 V485W116-W120 HydrophobicContact CB-CZ3 4.17Å; W116-W120 HydrophobicContact CD2-CH2 4.41Å; W116-W120 HydrophobicContact CD2-CZ3 4.03Å; W116-W120 AromaticContact CE3-CH2 3.89Å; W116-W120 HydrophobicContact CE3-CH2 3.89Å; W116-W120 AromaticContact CE3-CZ3 3.98Å; W116-W120 HydrophobicContact CE3-CZ3 3.98Å; W116-W120 HydrophobicContact CG-CZ3 4.14Å; W116-W120 HydrophobicContact CZ3-CH2 4.5Å; W116-W120 WeakPolarHBondContact O-CZ3 3.39Å; D117-W120 PolarHBondContact O-N 3.05Å; W120-F122 VanDerWaalsContact C-N 3.32Å; W120-F122 PolarHBondContact O-N 3.08Å; W120-K123 WeakPolarHBondContact O-CB 3.42Å; W120-K123 PolarHBondContact O-N 3.24Å; W120-G124 PolarHBondContact O-N 3.09Å; W120-G124 VanDerWaalsContact O-N 3.13Å; W120-L167 HydrophobicContact CH2-CD1 3.63Å; W120-L167 HydrophobicContact CZ2-CD1 4.18Å; W120-L167 HydrophobicContact CZ3-CD1 4.08Å; W120-P411 HydrophobicContact CD2-CB 3.97Å; W120-P411 HydrophobicContact CD2-CG 3.88Å; W120-P411 VanDerWaalsContact CE2-CA 3.47Å; W120-P411 HydrophobicContact CE3-CB 3.98Å; W120-P411 HydrophobicContact CE3-CG 3.67Å; W120-P411 HydrophobicContact CH2-CB 3.49Å; W120-P411 VanDerWaalsContact CH2-CB 3.49Å; W120-P411 HydrophobicContact CH2-CG 4.06Å; W120-P411 HydrophobicContact CZ2-CB 3.45Å; W120-P411 VanDerWaalsContact CZ2-CB 3.45Å; W120-P411 HydrophobicContact CZ2-CG 4.23Å; W120-P411 HydrophobicContact CZ3-CB 3.73Å; W120-P411 HydrophobicContact CZ3-CG 3.75Å; W120-H414 AromaticContact CD1-CG 3.79Å; W120-H414 AromaticContact CD1-ND1 3.94Å; W120-H414 AromaticContact NE1-CG 3.46Å; W120-H414 AromaticContact NE1-ND1 3.28Å; W120-H414 PolarHBondContact NE1-ND1 3.49Å; W120-M415 HydrophobicContact CH2-CE 4.48Å; W120-M415 HydrophobicContact CZ2-CE 4.13Å; W120-M415 HydrophobicContact CZ2-CG 4.37Å; W120-M415 HydrophobicContact CZ2-SD 4.31Å; W120-W481 HydrophobicContact CB-CB 3.59Å; W120-W481 HydrophobicContact CE3-CB 4.43Å; W120-W481 HydrophobicContact CE3-CE3 4.41Å; W120-W481 HydrophobicContact CG-CB 4.26Å; W120-G484 WeakPolarHBondContact O-CA 3.13Å; W120-V485 HydrophobicContact CB-CG2 4.15Å; W120-V485 HydrophobicContact CG-CG2 3.94Å
121T98.3Very high96.5Very high2 Ų217 Ų171%0.0128%0.079CC..Hα-helixtrans-57.9-47.2169.2-58.40000110.7W76 I104 D117 K123 G124 L125 M137 G480W76-T121 HydrophobicContact CH2-CG2 4.28Å; W76-T121 HydrophobicContact CZ3-CG2 3.86Å; I104-T121 HydrophobicContact CB-CG2 3.61Å; I104-T121 HydrophobicContact CG1-CG2 4.3Å; I104-T121 HydrophobicContact CG2-CG2 3.45Å; I104-T121 VanDerWaalsContact CG2-CG2 3.45Å; D117-T121 PolarHBondContact O-N 2.93Å; D117-T121 PolarHBondContact O-OG1 2.89Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-K123 PolarHBondContact O-N 3.35Å; T121-G124 WeakPolarHBondContact O-CA 3.45Å; T121-G124 PolarHBondContact O-N 2.85Å; T121-L125 WeakPolarHBondContact O-CG 3.39Å; T121-L125 PolarHBondContact O-N 3.1Å; T121-M137 HydrophobicContact CG2-CE 4.21Å; T121-G480 WeakPolarHBondContact OG1-CA 3.21Å
122F97.8Very high96.8Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-56.1-42.8174.2158.5-91.8000112.5T118 F119 W120 G124 L125 L126 A134 I138 M171 E174 Y175T118-F122 WeakPolarHBondContact O-CB 3.31Å; T118-F122 PolarHBondContact O-N 3.15Å; F119-F122 HydrophobicContact CD2-CD1 4.35Å; F119-F122 WeakPolarHBondContact O-CB 3.33Å; F119-F122 PolarHBondContact O-N 3.44Å; W120-F122 VanDerWaalsContact C-N 3.32Å; W120-F122 PolarHBondContact O-N 3.08Å; F122-G124 VanDerWaalsContact C-N 3.28Å; F122-G124 PolarHBondContact O-N 3.17Å; F122-L125 WeakPolarHBondContact O-CB 3.48Å; F122-L125 PolarHBondContact O-N 3.12Å; F122-L125 VanDerWaalsContact O-N 3.09Å; F122-L126 HydrophobicContact CD1-CD1 4.34Å; F122-L126 HydrophobicContact CD2-CG 4.46Å; F122-L126 HydrophobicContact CE1-CD1 3.5Å; F122-L126 HydrophobicContact CE1-CG 4.03Å; F122-L126 HydrophobicContact CE2-CD1 4.14Å; F122-L126 HydrophobicContact CE2-CD2 3.91Å; F122-L126 HydrophobicContact CE2-CG 3.95Å; F122-L126 HydrophobicContact CZ-CD1 3.4Å; F122-L126 HydrophobicContact CZ-CD2 3.96Å; F122-L126 HydrophobicContact CZ-CG 3.73Å; F122-L126 PolarHBondContact O-N 3.09Å; F122-A134 HydrophobicContact CD2-CB 3.76Å; F122-A134 HydrophobicContact CE2-CB 3.9Å; F122-I138 HydrophobicContact CD2-CD1 4.23Å; F122-I138 HydrophobicContact CD2-CG1 4.45Å; F122-I138 HydrophobicContact CE2-CD1 3.65Å; F122-I138 HydrophobicContact CE2-CG1 4.35Å; F122-I138 HydrophobicContact CZ-CD1 4.27Å; F122-M171 HydrophobicContact CD1-CB 4.49Å; F122-M171 HydrophobicContact CD1-CG 4.31Å; F122-M171 HydrophobicContact CE1-CB 4.44Å; F122-M171 VanDerWaalsContact CZ-O 3.31Å; F122-M171 WeakPolarHBondContact CZ-O 3.48Å; F122-E174 HydrophobicContact CE1-CB 3.85Å; F122-E174 HydrophobicContact CZ-CB 4.22Å; F122-Y175 HydrophobicContact CE2-CD2 4.06Å
123K97.4Very high97Very high23 Ų2314.7 Ų14.710%0.18%0.077CC..Hα-helixtrans-59.2-41.4174.7-68.1-168.879.1830111.8F119 W120 T121 L125 L126 V127 E174 H414F119-K123 HydrophobicContact CE1-CD 3.97Å; F119-K123 HydrophobicContact CE2-CD 4.45Å; F119-K123 HydrophobicContact CE2-CG 4.3Å; F119-K123 HydrophobicContact CZ-CD 3.87Å; F119-K123 HydrophobicContact CZ-CG 4.2Å; F119-K123 WeakPolarHBondContact O-CG 3.47Å; F119-K123 PolarHBondContact O-N 3.1Å; W120-K123 WeakPolarHBondContact O-CB 3.42Å; W120-K123 PolarHBondContact O-N 3.24Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-K123 PolarHBondContact O-N 3.35Å; K123-L125 VanDerWaalsContact C-N 3.32Å; K123-L125 PolarHBondContact O-N 3.36Å; K123-L126 PolarHBondContact O-N 3.38Å; K123-V127 WeakPolarHBondContact O-CG2 3.5Å; K123-V127 PolarHBondContact O-N 3.32Å; K123-E174 IonicContact NZ-OE1 2.6Å; K123-E174 PolarHBondContact NZ-OE1 2.66Å; K123-E174 IonicContact NZ-OE2 3.89Å; K123-E174 PolarHBondContact NZ-OE2 3.38Å; K123-H414 WeakPolarHBondContact CD-NE2 3.39Å; K123-H414 WeakPolarHBondContact CE-NE2 3.22Å
124G97Very high97.2Very high0 Ų014.4 Ų14.40%08%0.076CC..Hα-helixtrans-60.6-39.4173.700000113.3W120 T121 F122 V127 S128W120-G124 PolarHBondContact O-N 3.09Å; W120-G124 VanDerWaalsContact O-N 3.13Å; T121-G124 WeakPolarHBondContact O-CA 3.45Å; T121-G124 PolarHBondContact O-N 2.85Å; F122-G124 VanDerWaalsContact C-N 3.28Å; F122-G124 PolarHBondContact O-N 3.17Å; G124-V127 PolarHBondContact O-N 3.1Å; G124-S128 VanDerWaalsContact O-CB 3.32Å; G124-S128 WeakPolarHBondContact O-CB 3.43Å; G124-S128 PolarHBondContact O-N 3.3Å; G124-S128 PolarHBondContact O-OG 2.93Å
125L97.5Very high97.2Very high0 Ų016.6 Ų16.60%08%0.084CC..Hα-helixtrans-67.7-40.9176.2-64177.9000112.6W76 I104 T121 F122 K123 V127 S128 N129 M130 T133 A134 M137W76-L125 HydrophobicContact CD2-CD2 3.99Å; W76-L125 HydrophobicContact CE3-CD2 4.48Å; W76-L125 HydrophobicContact CG-CD2 4.03Å; I104-L125 HydrophobicContact CG1-CD1 4.03Å; I104-L125 HydrophobicContact CG1-CD2 4.2Å; T121-L125 WeakPolarHBondContact O-CG 3.39Å; T121-L125 PolarHBondContact O-N 3.1Å; F122-L125 WeakPolarHBondContact O-CB 3.48Å; F122-L125 PolarHBondContact O-N 3.12Å; F122-L125 VanDerWaalsContact O-N 3.09Å; K123-L125 VanDerWaalsContact C-N 3.32Å; K123-L125 PolarHBondContact O-N 3.36Å; L125-V127 VanDerWaalsContact C-N 3.35Å; L125-S128 CarbonylContact O-C 3.43Å; L125-S128 WeakPolarHBondContact O-CA 3.35Å; L125-S128 WeakPolarHBondContact O-CB 3.42Å; L125-S128 PolarHBondContact O-N 2.92Å; L125-N129 PolarHBondContact O-N 3.24Å; L125-M130 HydrophobicContact CB-CB 4.22Å; L125-M130 HydrophobicContact CD2-CB 4.16Å; L125-M130 HydrophobicContact CD2-CE 4Å; L125-M130 HydrophobicContact CD2-SD 3.72Å; L125-M130 PolarHBondContact O-N 3.03Å; L125-T133 HydrophobicContact CD1-CG2 3.91Å; L125-A134 HydrophobicContact CB-CB 4.25Å; L125-M137 HydrophobicContact CD1-SD 3.54Å; L125-M137 VanDerWaalsContact CD1-SD 3.54Å
126L95.9Very high97.2Very high19 Ų1917 Ų1710%0.0999%0.088CC..Hα-helixtrans-60.5-46.3174.5-70-172.5000111.5F122 K123 S128 N129 F131 A134 E174 Y175 V178F122-L126 HydrophobicContact CD1-CD1 4.34Å; F122-L126 HydrophobicContact CD2-CG 4.46Å; F122-L126 HydrophobicContact CE1-CD1 3.5Å; F122-L126 HydrophobicContact CE1-CG 4.03Å; F122-L126 HydrophobicContact CE2-CD1 4.14Å; F122-L126 HydrophobicContact CE2-CD2 3.91Å; F122-L126 HydrophobicContact CE2-CG 3.95Å; F122-L126 HydrophobicContact CZ-CD1 3.4Å; F122-L126 HydrophobicContact CZ-CD2 3.96Å; F122-L126 HydrophobicContact CZ-CG 3.73Å; F122-L126 PolarHBondContact O-N 3.09Å; K123-L126 PolarHBondContact O-N 3.38Å; L126-S128 PolarHBondContact O-N 2.94Å; L126-N129 PolarHBondContact O-N 3.07Å; L126-N129 VanDerWaalsContact O-N 3.1Å; L126-F131 HydrophobicContact CD2-CD1 3.87Å; L126-F131 HydrophobicContact CD2-CE1 4.06Å; L126-A134 HydrophobicContact CD2-CB 4.24Å; L126-E174 HydrophobicContact CD1-CB 4.5Å; L126-Y175 HydrophobicContact CD2-CD2 4.11Å; L126-V178 HydrophobicContact CD1-CG2 4.26Å
127V93.2Very high97.2Very high31 Ų3117 Ų1719%0.1889%0.088CC..Hα-helixtrans-58.9-34173.5161.50000111.2F56 K123 G124 L125 N129 M487 L491F56-V127 VanDerWaalsContact CD1-O 3.29Å; F56-V127 WeakPolarHBondContact CD1-O 3.39Å; K123-V127 WeakPolarHBondContact O-CG2 3.5Å; K123-V127 PolarHBondContact O-N 3.32Å; G124-V127 PolarHBondContact O-N 3.1Å; L125-V127 VanDerWaalsContact C-N 3.35Å; V127-N129 PolarHBondContact O-N 3.01Å; V127-M487 HydrophobicContact CG1-CB 4.13Å; V127-M487 HydrophobicContact CG1-CE 4.36Å; V127-L491 HydrophobicContact CB-CD1 4.44Å; V127-L491 HydrophobicContact CG1-CD1 3.26Å; V127-L491 HydrophobicContact CG1-CG 4.23Å
128S94.6Very high97.2Very high2 Ų216.5 Ų16.51%0.0149%0.086CC..THydrogen-bonded Turntrans-79.44179.4-59.80000114.5H73 W76 G124 L125 L126 M130 M487H73-S128 WeakPolarHBondContact ND1-CB 3.43Å; H73-S128 PolarHBondContact ND1-OG 3.48Å; W76-S128 PolarHBondContact NE1-OG 2.92Å; G124-S128 VanDerWaalsContact O-CB 3.32Å; G124-S128 WeakPolarHBondContact O-CB 3.43Å; G124-S128 PolarHBondContact O-N 3.3Å; G124-S128 PolarHBondContact O-OG 2.93Å; L125-S128 CarbonylContact O-C 3.43Å; L125-S128 WeakPolarHBondContact O-CA 3.35Å; L125-S128 WeakPolarHBondContact O-CB 3.42Å; L125-S128 PolarHBondContact O-N 2.92Å; L126-S128 PolarHBondContact O-N 2.94Å; S128-M130 PolarHBondContact O-N 3.37Å; S128-M487 WeakPolarHBondContact OG-CE 3.38Å
129N93.9Very high97.3Very high63 Ų6318.1 Ų18.134%0.3379%0.093SC..THydrogen-bonded Turntrans5621-169.8-66.1-22.3000114.4L125 L126 V127 F131L125-N129 PolarHBondContact O-N 3.24Å; L126-N129 PolarHBondContact O-N 3.07Å; L126-N129 VanDerWaalsContact O-N 3.1Å; V127-N129 PolarHBondContact O-N 3.01Å; N129-F131 VanDerWaalsContact C-N 3.25Å; N129-F131 HydrophobicContact CB-CE2 3.98Å; N129-F131 HydrophobicContact CB-CZ 4.41Å; N129-F131 WeakPolarHBondContact O-CD2 3.23Å; N129-F131 PolarHBondContact O-N 3.03Å
130M96.8Very high97.3Very high0 Ų018.3 Ų18.30%09%0.094CC..  trans-88.660.6-179.3-62.717669.600110.9P47 D49 W50 W76 L125 S128 A134P47-M130 HydrophobicContact CB-CE 3.41Å; P47-M130 VanDerWaalsContact CB-CE 3.41Å; P47-M130 HydrophobicContact CG-CE 3.63Å; D49-M130 WeakPolarHBondContact OD2-CA 3.29Å; W50-M130 HydrophobicContact CB-CE 3.87Å; W50-M130 HydrophobicContact CG-CE 4.34Å; W76-M130 HydrophobicContact CB-CE 4.31Å; W76-M130 HydrophobicContact CB-SD 4.26Å; W76-M130 HydrophobicContact CG-SD 4.15Å; L125-M130 HydrophobicContact CB-CB 4.22Å; L125-M130 HydrophobicContact CD2-CB 4.16Å; L125-M130 HydrophobicContact CD2-CE 4Å; L125-M130 HydrophobicContact CD2-SD 3.72Å; L125-M130 PolarHBondContact O-N 3.03Å; S128-M130 PolarHBondContact O-N 3.37Å; M130-A134 WeakPolarHBondContact O-CB 3.42Å; M130-A134 PolarHBondContact O-N 3.43Å
131F96.9Very high97.3Very high64 Ų6418.4 Ų18.428%0.2819%0.094SC..Hα-helixtrans-68.7-32.5-172.9-58.3-64.3000113.9D49 L126 N129 R135 Y175 V178 T179D49-F131 PolarHBondContact OD2-N 2.82Å; D49-F131 VanDerWaalsContact OD2-N 3.16Å; L126-F131 HydrophobicContact CD2-CD1 3.87Å; L126-F131 HydrophobicContact CD2-CE1 4.06Å; N129-F131 VanDerWaalsContact C-N 3.25Å; N129-F131 HydrophobicContact CB-CE2 3.98Å; N129-F131 HydrophobicContact CB-CZ 4.41Å; N129-F131 WeakPolarHBondContact O-CD2 3.23Å; N129-F131 PolarHBondContact O-N 3.03Å; F131-R135 VanDerWaalsContact O-CB 3.26Å; F131-R135 WeakPolarHBondContact O-CB 3.42Å; F131-R135 PolarHBondContact O-N 3.19Å; F131-Y175 HydrophobicContact CB-CE2 4.38Å; F131-Y175 WeakPolarHBondContact O-CE2 3.18Å; F131-Y175 PolarHBondContact O-OH 2.8Å; F131-V178 HydrophobicContact CE1-CG1 3.72Å; F131-V178 HydrophobicContact CZ-CG1 4.23Å; F131-T179 HydrophobicContact CD1-CG2 3.88Å; F131-T179 HydrophobicContact CE1-CG2 4.36Å; F131-T179 HydrophobicContact CG-CG2 4.36Å
132S97.5Very high97.3Very high51 Ų5118.5 Ų18.536%0.35710%0.095SC..Hα-helixtrans-70.3-44.7178.1-1690000110.6E48 D49 A134 R135 G136E48-S132 WeakPolarHBondContact OE1-CB 3.49Å; E48-S132 PolarHBondContact OE1-OG 2.86Å; D49-S132 WeakPolarHBondContact OD2-CA 3.48Å; D49-S132 WeakPolarHBondContact OD2-CB 3.49Å; D49-S132 PolarHBondContact OD2-N 3.49Å; S132-A134 PolarHBondContact O-N 3.18Å; S132-R135 WeakPolarHBondContact O-CB 3.34Å; S132-R135 PolarHBondContact O-N 3.41Å; S132-G136 PolarHBondContact O-N 3.17Å
133T98.1Very high97.4Very high1 Ų121.9 Ų21.91%0.00611%0.108CC..Hα-helixtrans-62.9-45176.2-63.60000111.4P47 D49 Q102 I104 L125 R135 G136 M137P47-T133 HydrophobicContact CB-CG2 4.48Å; P47-T133 WeakPolarHBondContact CB-OG1 3.48Å; D49-T133 WeakPolarHBondContact OD1-CB 3.44Å; D49-T133 PolarHBondContact OD1-OG1 2.87Å; D49-T133 PolarHBondContact OD2-N 2.9Å; Q102-T133 PolarHBondContact NE2-OG1 2.05Å; I104-T133 HydrophobicContact CD1-CG2 4.43Å; I104-T133 HydrophobicContact CG1-CG2 4.41Å; L125-T133 HydrophobicContact CD1-CG2 3.91Å; T133-R135 VanDerWaalsContact C-N 3.33Å; T133-R135 PolarHBondContact O-N 3.49Å; T133-G136 PolarHBondContact O-N 2.92Å; T133-M137 HydrophobicContact CG2-SD 4.44Å; T133-M137 WeakPolarHBondContact O-CG 3.36Å; T133-M137 PolarHBondContact O-N 2.87Å
134A98.1Very high97.4Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-57.8-44.7174.100000112.1F122 L125 L126 M130 S132 M137 I138 Y175F122-A134 HydrophobicContact CD2-CB 3.76Å; F122-A134 HydrophobicContact CE2-CB 3.9Å; L125-A134 HydrophobicContact CB-CB 4.25Å; L126-A134 HydrophobicContact CD2-CB 4.24Å; M130-A134 WeakPolarHBondContact O-CB 3.42Å; M130-A134 PolarHBondContact O-N 3.43Å; S132-A134 PolarHBondContact O-N 3.18Å; A134-M137 PolarHBondContact O-N 2.99Å; A134-I138 WeakPolarHBondContact O-CG1 3.44Å; A134-I138 PolarHBondContact O-N 3.16Å; A134-I138 VanDerWaalsContact O-N 3.12Å; A134-Y175 HydrophobicContact CB-CD2 4.41Å; A134-Y175 HydrophobicContact CB-CE2 4.41Å
135R98.3Very high97.5Very high72 Ų7220.8 Ų20.827%0.27210%0.104SC..Hα-helixtrans-61.7-44.3176.9-167.6-178.7-176-94.5-4.3112.1F131 S132 T133 M137 I138 K139 Y175 F184 E187F131-R135 VanDerWaalsContact O-CB 3.26Å; F131-R135 WeakPolarHBondContact O-CB 3.42Å; F131-R135 PolarHBondContact O-N 3.19Å; S132-R135 WeakPolarHBondContact O-CB 3.34Å; S132-R135 PolarHBondContact O-N 3.41Å; T133-R135 VanDerWaalsContact C-N 3.33Å; T133-R135 PolarHBondContact O-N 3.49Å; R135-M137 PolarHBondContact O-N 3.09Å; R135-I138 PolarHBondContact O-N 2.96Å; R135-K139 PolarHBondContact O-N 2.84Å; R135-Y175 HydrophobicContact CB-CE2 3.99Å; R135-Y175 HydrophobicContact CG-CE1 4.47Å; R135-F184 HydrophobicContact CB-CZ 4.44Å; R135-F184 HydrophobicContact CG-CD1 4.35Å; R135-F184 HydrophobicContact CG-CD2 4.22Å; R135-F184 HydrophobicContact CG-CE1 3.83Å; R135-F184 HydrophobicContact CG-CE2 3.7Å; R135-F184 HydrophobicContact CG-CZ 3.45Å; R135-F184 VanDerWaalsContact CG-CZ 3.45Å; R135-E187 IonicContact NH2-OE2 3.29Å; R135-E187 PolarHBondContact NH2-OE2 3.39Å
136G98.3Very high97.5Very high8 Ų825.1 Ų25.18%0.08213%0.127CC..Hα-helixtrans-60.4-42176.600000112.7S132 T133 K139 N140S132-G136 PolarHBondContact O-N 3.17Å; T133-G136 PolarHBondContact O-N 2.92Å; G136-K139 WeakPolarHBondContact O-CB 3.45Å; G136-K139 PolarHBondContact O-N 3.17Å; G136-N140 PolarHBondContact O-N 2.5Å
137M98.6Very high97.6Very high5 Ų529.1 Ų29.13%0.02515%0.146CC..Hα-helixtrans-63.9-42.2176.1-72.7177.757.600112.2F103 I104 T118 T121 L125 T133 A134 R135 K139 N140 L141F103-M137 HydrophobicContact CB-CG 3.95Å; F103-M137 HydrophobicContact CB-SD 4.48Å; I104-M137 HydrophobicContact CB-CE 4.22Å; I104-M137 HydrophobicContact CB-SD 4Å; I104-M137 HydrophobicContact CG1-SD 3.8Å; I104-M137 PolarHBondContact N-SD 2.99Å; T118-M137 HydrophobicContact CG2-CE 3.67Å; T121-M137 HydrophobicContact CG2-CE 4.21Å; L125-M137 HydrophobicContact CD1-SD 3.54Å; L125-M137 VanDerWaalsContact CD1-SD 3.54Å; T133-M137 HydrophobicContact CG2-SD 4.44Å; T133-M137 WeakPolarHBondContact O-CG 3.36Å; T133-M137 PolarHBondContact O-N 2.87Å; A134-M137 PolarHBondContact O-N 2.99Å; R135-M137 PolarHBondContact O-N 3.09Å; M137-K139 VanDerWaalsContact C-N 3.32Å; M137-K139 PolarHBondContact O-N 3.28Å; M137-N140 WeakPolarHBondContact O-CB 3.2Å; M137-N140 PolarHBondContact O-N 3.45Å; M137-L141 WeakPolarHBondContact O-CG 3.18Å; M137-L141 PolarHBondContact O-N 2.96Å; M137-L141 VanDerWaalsContact O-N 3.17Å
138I98.8Very high97.8Very high1 Ų131.2 Ų31.21%0.00515%0.151CC..Hα-helixtrans-61.3-42.3173.5-66.7173.8000110.7F122 A134 R135 N140 L141 A142 F168 M171 V172 Y175 F184 L188F122-I138 HydrophobicContact CD2-CD1 4.23Å; F122-I138 HydrophobicContact CD2-CG1 4.45Å; F122-I138 HydrophobicContact CE2-CD1 3.65Å; F122-I138 HydrophobicContact CE2-CG1 4.35Å; F122-I138 HydrophobicContact CZ-CD1 4.27Å; A134-I138 WeakPolarHBondContact O-CG1 3.44Å; A134-I138 PolarHBondContact O-N 3.16Å; A134-I138 VanDerWaalsContact O-N 3.12Å; R135-I138 PolarHBondContact O-N 2.96Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.1Å; I138-L141 WeakPolarHBondContact O-CB 3.49Å; I138-L141 PolarHBondContact O-N 2.85Å; I138-L141 VanDerWaalsContact O-N 3.16Å; I138-A142 PolarHBondContact O-N 3.1Å; I138-F168 HydrophobicContact CG2-CE2 3.77Å; I138-M171 HydrophobicContact CD1-CB 4.21Å; I138-M171 HydrophobicContact CG1-CB 4.16Å; I138-V172 HydrophobicContact CG2-CG2 3.67Å; I138-Y175 HydrophobicContact CD1-CD2 4.31Å; I138-Y175 HydrophobicContact CD1-CG 4.12Å; I138-F184 HydrophobicContact CB-CE1 4.3Å; I138-F184 HydrophobicContact CB-CZ 4.02Å; I138-F184 HydrophobicContact CD1-CE1 4.13Å; I138-F184 HydrophobicContact CG2-CE1 3.97Å; I138-F184 HydrophobicContact CG2-CZ 3.76Å; I138-L188 HydrophobicContact CG2-CD1 3.28Å
139K98.7Very high98Very high38 Ų3832 Ų3217%0.16516%0.16CC..Hα-helixtrans-63.1-35.9176.4-75.5-165.6171.3-148.10113H101 R135 G136 M137 L141 A142 Y143 F184 E187H101-K139 VanDerWaalsContact CD2-CB 3.41Å; H101-K139 WeakPolarHBondContact CD2-CB 3.49Å; H101-K139 WeakPolarHBondContact NE2-CD 3.25Å; R135-K139 PolarHBondContact O-N 2.84Å; G136-K139 WeakPolarHBondContact O-CB 3.45Å; G136-K139 PolarHBondContact O-N 3.17Å; M137-K139 VanDerWaalsContact C-N 3.32Å; M137-K139 PolarHBondContact O-N 3.28Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 2.75Å; K139-A142 PolarHBondContact O-N 3.35Å; K139-Y143 WeakPolarHBondContact O-CB 3.12Å; K139-Y143 PolarHBondContact O-N 3.37Å; K139-F184 HydrophobicContact CD-CE2 4.29Å; K139-F184 VanDerWaalsContact CE-CE2 3.49Å; K139-F184 HydrophobicContact CG-CE2 3.78Å; K139-F184 HydrophobicContact CG-CZ 4.14Å; K139-E187 VanDerWaalsContact CE-OE1 3.25Å; K139-E187 WeakPolarHBondContact CE-OE1 3.45Å; K139-E187 VanDerWaalsContact NZ-CD 3.35Å; K139-E187 IonicContact NZ-OE1 2.95Å; K139-E187 PolarHBondContact NZ-OE1 3.07Å; K139-E187 IonicContact NZ-OE2 3.75Å; K139-E187 PolarHBondContact NZ-OE2 2.83Å
140N98.7Very high98.2Very high4 Ų429.9 Ų29.92%0.02115%0.147CC..Hα-helixtrans-62.2-40.6173.2-73.3-14.6000112V99 P100 H101 Q102 G136 M137 I138 Y143 M144V99-N140 HydrophobicContact CB-CB 3.95Å; V99-N140 HydrophobicContact CG1-CB 3.91Å; V99-N140 HydrophobicContact CG2-CB 4.46Å; P100-N140 WeakPolarHBondContact CD-OD1 3.49Å; H101-N140 WeakPolarHBondContact CA-OD1 3.34Å; H101-N140 VanDerWaalsContact CB-OD1 3.29Å; H101-N140 WeakPolarHBondContact CB-OD1 3.34Å; H101-N140 PolarHBondContact CD2-OD1 3.29Å; H101-N140 PolarHBondContact N-OD1 2.8Å; H101-N140 PolarHBondContact O-ND2 3.48Å; Q102-N140 PolarHBondContact O-ND2 2.63Å; G136-N140 PolarHBondContact O-N 2.5Å; M137-N140 WeakPolarHBondContact O-CB 3.2Å; M137-N140 PolarHBondContact O-N 3.45Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.1Å; N140-Y143 WeakPolarHBondContact O-CB 3.41Å; N140-Y143 PolarHBondContact O-N 3.45Å; N140-M144 WeakPolarHBondContact O-CG 3.46Å; N140-M144 PolarHBondContact O-N 3.31Å; N140-M144 VanDerWaalsContact O-N 3.08Å
141L98.8Very high98.3Very high2 Ų229.9 Ų29.91%0.0115%0.147CC..Hα-helixtrans-65.9-43.2175.1-61.9-174.8000111.7F113 Y115 T118 M137 I138 K139 Y143 M144 V145 I151 F168 M171F113-L141 HydrophobicContact CD2-CD2 4.38Å; Y115-L141 HydrophobicContact CD2-CD1 4.23Å; Y115-L141 HydrophobicContact CD2-CD2 4.4Å; Y115-L141 HydrophobicContact CE2-CD1 4.26Å; T118-L141 HydrophobicContact CG2-CD1 4.02Å; M137-L141 WeakPolarHBondContact O-CG 3.18Å; M137-L141 PolarHBondContact O-N 2.96Å; M137-L141 VanDerWaalsContact O-N 3.17Å; I138-L141 WeakPolarHBondContact O-CB 3.49Å; I138-L141 PolarHBondContact O-N 2.85Å; I138-L141 VanDerWaalsContact O-N 3.16Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 2.75Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 2.95Å; L141-M144 WeakPolarHBondContact O-CB 3.39Å; L141-M144 PolarHBondContact O-N 2.87Å; L141-M144 VanDerWaalsContact O-N 3.15Å; L141-V145 PolarHBondContact O-N 2.82Å; L141-V145 VanDerWaalsContact O-N 3.1Å; L141-I151 HydrophobicContact CB-CD1 3.78Å; L141-I151 HydrophobicContact CB-CG1 4.35Å; L141-I151 HydrophobicContact CD1-CD1 4.36Å; L141-I151 HydrophobicContact CD2-CD1 4.5Å; L141-I151 HydrophobicContact CD2-CG2 3.83Å; L141-I151 HydrophobicContact CG-CD1 4.43Å; L141-F168 HydrophobicContact CB-CD2 3.78Å; L141-F168 HydrophobicContact CB-CE2 3.91Å; L141-F168 HydrophobicContact CD1-CD2 4.05Å; L141-M171 HydrophobicContact CD1-CE 3.77Å; L141-M171 HydrophobicContact CD1-SD 3.39Å; L141-M171 WeakPolarHBondContact CD1-SD 3.36Å
142A98.8Very high98.4Very high4 Ų426.9 Ų26.93%0.03313%0.134CC..Hα-helixtrans-58.9-43.517400000111.7I138 K139 M144 V145 D146 F168 L188 A191I138-A142 PolarHBondContact O-N 3.1Å; K139-A142 PolarHBondContact O-N 3.35Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3.23Å; A142-V145 WeakPolarHBondContact O-CA 3.19Å; A142-V145 WeakPolarHBondContact O-CB 3.3Å; A142-V145 PolarHBondContact O-N 3.37Å; A142-D146 PolarHBondContact O-N 2.03Å; A142-F168 HydrophobicContact CB-CE2 4.34Å; A142-F168 HydrophobicContact CB-CZ 3.85Å; A142-L188 HydrophobicContact CB-CD2 3.69Å; A142-A191 HydrophobicContact CB-CB 3.96Å
143Y98.6Very high98.4Very high72 Ų7224.7 Ų24.728%0.28212%0.118SC..Hα-helixtrans-58.5-39.8175.4-179.1-95.9000112Y98 V99 P100 K139 N140 L141 D146 M147Y98-Y143 HydrophobicContact CD1-CE1 4.35Å; Y98-Y143 VanDerWaalsContact O-CE1 3.29Å; Y98-Y143 WeakPolarHBondContact O-CE1 3.43Å; V99-Y143 HydrophobicContact CG1-CD1 4.41Å; P100-Y143 HydrophobicContact CG-CD2 4.36Å; P100-Y143 HydrophobicContact CG-CG 4.33Å; K139-Y143 WeakPolarHBondContact O-CB 3.12Å; K139-Y143 PolarHBondContact O-N 3.37Å; N140-Y143 WeakPolarHBondContact O-CB 3.41Å; N140-Y143 PolarHBondContact O-N 3.45Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 2.95Å; Y143-D146 PolarHBondContact O-N 3.47Å; Y143-M147 HydrophobicContact CD1-CG 4.21Å; Y143-M147 HydrophobicContact CD2-CG 4.5Å; Y143-M147 HydrophobicContact CE1-CG 3.78Å; Y143-M147 HydrophobicContact CE2-CG 4.12Å; Y143-M147 HydrophobicContact CE2-SD 4.34Å; Y143-M147 VanDerWaalsContact O-CG 3.29Å; Y143-M147 WeakPolarHBondContact O-CG 3.11Å; Y143-M147 PolarHBondContact O-N 3.48Å
144M98.7Very high98.4Very high0 Ų024.6 Ų24.60%012%0.118CC..Hα-helixtrans-62.6-41.7173-68.7-65.9101.100112.5L97 Y98 V99 F113 N140 L141 A142 D146 M147 Y148 F150 P152L97-M144 HydrophobicContact CB-CE 4.36Å; L97-M144 HydrophobicContact CB-SD 4.24Å; L97-M144 HydrophobicContact CD1-SD 3.9Å; Y98-M144 VanDerWaalsContact O-CE 3.23Å; Y98-M144 WeakPolarHBondContact O-CE 3.12Å; V99-M144 HydrophobicContact CG1-CE 3.66Å; F113-M144 HydrophobicContact CE2-CG 4.08Å; F113-M144 HydrophobicContact CZ-CG 3.71Å; F113-M144 HydrophobicContact CZ-SD 3.73Å; N140-M144 WeakPolarHBondContact O-CG 3.46Å; N140-M144 PolarHBondContact O-N 3.31Å; N140-M144 VanDerWaalsContact O-N 3.08Å; L141-M144 WeakPolarHBondContact O-CB 3.39Å; L141-M144 PolarHBondContact O-N 2.87Å; L141-M144 VanDerWaalsContact O-N 3.15Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3.23Å; M144-D146 VanDerWaalsContact C-N 3.32Å; M144-D146 PolarHBondContact O-N 3.35Å; M144-M147 PolarHBondContact O-N 3.36Å; M144-Y148 HydrophobicContact CE-CD2 4.45Å; M144-Y148 HydrophobicContact CE-CE2 3.96Å; M144-Y148 WeakPolarHBondContact O-CB 3.37Å; M144-Y148 PolarHBondContact O-N 3.38Å; M144-Y148 HydrophobicContact SD-CD2 3.93Å; M144-Y148 HydrophobicContact SD-CE2 3.81Å; M144-F150 CarbonylContact C-O 3.57Å; M144-P152 HydrophobicContact SD-CG 4.27Å
145V98.8Very high98.3Very high0 Ų024.6 Ų24.60%012%0.118CC..Hα-helixtrans-64.2-38.6175.5179.40000111.4L141 A142 G149 I151 A191 K194 E195L141-V145 PolarHBondContact O-N 2.82Å; L141-V145 VanDerWaalsContact O-N 3.1Å; A142-V145 WeakPolarHBondContact O-CA 3.19Å; A142-V145 WeakPolarHBondContact O-CB 3.3Å; A142-V145 PolarHBondContact O-N 3.37Å; V145-G149 WeakPolarHBondContact O-CA 3.09Å; V145-G149 PolarHBondContact O-N 2.72Å; V145-I151 HydrophobicContact CG2-CD1 4Å; V145-I151 HydrophobicContact CG2-CG1 3.45Å; V145-I151 VanDerWaalsContact CG2-CG1 3.45Å; V145-A191 HydrophobicContact CB-CB 4.31Å; V145-A191 HydrophobicContact CG1-CB 4.31Å; V145-A191 WeakPolarHBondContact CG1-O 3.23Å; V145-K194 HydrophobicContact CG1-CB 3.8Å; V145-K194 HydrophobicContact CG1-CD 3.89Å; V145-K194 HydrophobicContact CG1-CG 3.89Å; V145-K194 WeakPolarHBondContact O-CE 3.49Å; V145-K194 PolarHBondContact O-NZ 3.49Å; V145-E195 HydrophobicContact CG1-CB 4.23Å; V145-E195 HydrophobicContact CG2-CB 4.05Å; V145-E195 HydrophobicContact CG2-CG 4.33Å
146D98.4Very high98.3Very high90 Ų9021.7 Ų21.748%0.48111%0.107SC..Hα-helixtrans-65.1-45.6178-72.8-24.8000111.5A142 Y143 M144 K194A142-D146 PolarHBondContact O-N 2.03Å; Y143-D146 PolarHBondContact O-N 3.47Å; M144-D146 VanDerWaalsContact C-N 3.32Å; M144-D146 PolarHBondContact O-N 3.35Å; D146-K194 PolarHBondContact O-NZ 3.13Å
147M97.3Very high98.2Very high104 Ų10424 Ų2451%0.51212%0.119SC..Hα-helixtrans-74.4-41.2-178.2-65.1-55.4-65.600113.8Y143 M144Y143-M147 HydrophobicContact CD1-CG 4.21Å; Y143-M147 HydrophobicContact CD2-CG 4.5Å; Y143-M147 HydrophobicContact CE1-CG 3.78Å; Y143-M147 HydrophobicContact CE2-CG 4.12Å; Y143-M147 HydrophobicContact CE2-SD 4.34Å; Y143-M147 VanDerWaalsContact O-CG 3.29Å; Y143-M147 WeakPolarHBondContact O-CG 3.11Å; Y143-M147 PolarHBondContact O-N 3.48Å; M144-M147 PolarHBondContact O-N 3.36Å
148Y97.7Very high98Very high75 Ų7525.9 Ų25.929%0.29413%0.127SC..Hα-helixtrans-119.1-7.4-168.5-56-67.3000114.2L97 M144 F150 L160L97-Y148 HydrophobicContact CD1-CE2 4.11Å; L97-Y148 HydrophobicContact CD2-CE2 4.3Å; M144-Y148 HydrophobicContact CE-CD2 4.45Å; M144-Y148 HydrophobicContact CE-CE2 3.96Å; M144-Y148 WeakPolarHBondContact O-CB 3.37Å; M144-Y148 PolarHBondContact O-N 3.38Å; M144-Y148 HydrophobicContact SD-CD2 3.93Å; M144-Y148 HydrophobicContact SD-CE2 3.81Å; Y148-F150 VanDerWaalsContact C-N 3.27Å; Y148-F150 WeakPolarHBondContact O-CD1 2.9Å; Y148-F150 PolarHBondContact O-N 3.18Å; Y148-L160 HydrophobicContact CD1-CD1 4.01Å; Y148-L160 HydrophobicContact CD1-CD2 3.61Å; Y148-L160 HydrophobicContact CD1-CG 4.45Å; Y148-L160 HydrophobicContact CD2-CD2 3.76Å; Y148-L160 HydrophobicContact CE1-CD1 3.73Å; Y148-L160 HydrophobicContact CE1-CD2 3.92Å; Y148-L160 HydrophobicContact CE2-CD2 4.07Å; Y148-L160 HydrophobicContact CG-CD2 3.53Å
149G97.9Very high98Very high18 Ų1826.1 Ų26.119%0.18613%0.127CC..SBendtrans85.1-8.3179.500000114.9V145V145-G149 WeakPolarHBondContact O-CA 3.09Å; V145-G149 PolarHBondContact O-N 2.72Å
150F98.5Very high97.9Very high19 Ų1926.5 Ų26.58%0.08313%0.131CC..SBendtrans-157.8170.7177.769.8-78.5000109.6M144 Y148 P152 L160 F198M144-F150 CarbonylContact C-O 3.57Å; Y148-F150 VanDerWaalsContact C-N 3.27Å; Y148-F150 WeakPolarHBondContact O-CD1 2.9Å; Y148-F150 PolarHBondContact O-N 3.18Å; F150-P152 HydrophobicContact CE2-CB 4.28Å; F150-L160 WeakPolarHBondContact CZ-O 3.34Å; F150-F198 HydrophobicContact CB-CB 4.06Å; F150-F198 HydrophobicContact CB-CD1 3.54Å; F150-F198 HydrophobicContact CB-CD2 3.73Å; F150-F198 HydrophobicContact CB-CE1 3.82Å; F150-F198 HydrophobicContact CB-CE2 3.98Å; F150-F198 HydrophobicContact CB-CG 3.49Å; F150-F198 VanDerWaalsContact CB-CG 3.49Å; F150-F198 HydrophobicContact CB-CZ 4.02Å; F150-F198 AromaticContact CD1-CD2 3.93Å; F150-F198 HydrophobicContact CD1-CD2 3.93Å; F150-F198 AromaticContact CD1-CE2 3.7Å; F150-F198 HydrophobicContact CD1-CE2 3.7Å; F150-F198 HydrophobicContact CD1-CZ 4.17Å; F150-F198 HydrophobicContact CD2-CE1 4.17Å; F150-F198 HydrophobicContact CD2-CE2 4.29Å; F150-F198 AromaticContact CD2-CZ 3.92Å; F150-F198 HydrophobicContact CD2-CZ 3.92Å; F150-F198 HydrophobicContact CE1-CE2 4.28Å; F150-F198 HydrophobicContact CE2-CZ 4.46Å; F150-F198 HydrophobicContact CG-CD1 4.23Å; F150-F198 AromaticContact CG-CD2 3.95Å; F150-F198 HydrophobicContact CG-CD2 3.95Å; F150-F198 HydrophobicContact CG-CE1 4.04Å; F150-F198 AromaticContact CG-CE2 3.72Å; F150-F198 HydrophobicContact CG-CE2 3.72Å; F150-F198 HydrophobicContact CG-CG 4.19Å; F150-F198 AromaticContact CG-CZ 3.77Å; F150-F198 HydrophobicContact CG-CZ 3.77Å
151I98.8Very high97.8Very high0 Ų030.9 Ų30.90%015%0.15CC..  trans-92118174.8-57.9165.5000108.5Y115 L141 V145 S163 F168Y115-I151 HydrophobicContact CD1-CB 3.66Å; Y115-I151 HydrophobicContact CD1-CG2 3.63Å; Y115-I151 HydrophobicContact CD2-CB 4.12Å; Y115-I151 HydrophobicContact CD2-CD1 3.97Å; Y115-I151 HydrophobicContact CD2-CG2 3.55Å; Y115-I151 HydrophobicContact CE1-CB 3.69Å; Y115-I151 HydrophobicContact CE1-CD1 4.05Å; Y115-I151 HydrophobicContact CE1-CG1 4.4Å; Y115-I151 HydrophobicContact CE1-CG2 4.11Å; Y115-I151 HydrophobicContact CE2-CB 4.21Å; Y115-I151 HydrophobicContact CE2-CD1 3.4Å; Y115-I151 HydrophobicContact CE2-CG1 4.39Å; Y115-I151 HydrophobicContact CE2-CG2 4.11Å; Y115-I151 HydrophobicContact CG-CB 3.89Å; Y115-I151 HydrophobicContact CG-CG2 3.33Å; Y115-I151 VanDerWaalsContact CZ-CD1 3.42Å; L141-I151 HydrophobicContact CB-CD1 3.78Å; L141-I151 HydrophobicContact CB-CG1 4.35Å; L141-I151 HydrophobicContact CD1-CD1 4.36Å; L141-I151 HydrophobicContact CD2-CD1 4.5Å; L141-I151 HydrophobicContact CD2-CG2 3.83Å; L141-I151 HydrophobicContact CG-CD1 4.43Å; V145-I151 HydrophobicContact CG2-CD1 4Å; V145-I151 HydrophobicContact CG2-CG1 3.45Å; V145-I151 VanDerWaalsContact CG2-CG1 3.45Å; I151-S163 WeakPolarHBondContact O-CA 3.3Å; I151-S163 WeakPolarHBondContact O-CB 3.42Å; I151-S163 PolarHBondContact O-OG 2.87Å; I151-F168 HydrophobicContact CD1-CB 3.49Å; I151-F168 VanDerWaalsContact CD1-CB 3.49Å; I151-F168 HydrophobicContact CD1-CD1 4.13Å; I151-F168 HydrophobicContact CD1-CD2 4.09Å; I151-F168 HydrophobicContact CD1-CG 3.66Å
152P98.6Very high97.8Very high0 Ų030.8 Ų30.80%015%0.15CC..  trans-66.9159.4177.329.5-34.5000111.2L97 M144 F150 G154 F159 L160 R162L97-P152 HydrophobicContact CD1-CG 4.02Å; M144-P152 HydrophobicContact SD-CG 4.27Å; F150-P152 HydrophobicContact CE2-CB 4.28Å; P152-G154 WeakPolarHBondContact CG-O 2.95Å; P152-G154 PolarHBondContact O-N 3.49Å; P152-G154 VanDerWaalsContact O-N 3.14Å; P152-F159 HydrophobicContact CB-CB 4.01Å; P152-L160 HydrophobicContact CB-CD2 4.28Å; P152-L160 HydrophobicContact CG-CD2 4.35Å; P152-R162 CarbonylContact C-O 3.55Å; P152-R162 WeakPolarHBondContact CA-O 3.32Å
153N97.9Very high97.7Very high5 Ų530.6 Ų30.63%0.02715%0.148CC..SBendtrans-44.8-47.6175.7176.4-46.8000111.5Y114 Y115 F159 R162 S163 Q164 A255Y114-N153 CarbonylContact C-O 3.49Å; Y114-N153 WeakPolarHBondContact CA-O 3.37Å; Y114-N153 VanDerWaalsContact CD1-OD1 3.3Å; Y114-N153 WeakPolarHBondContact CD1-OD1 3.42Å; Y114-N153 WeakPolarHBondContact CE1-OD1 3.19Å; Y115-N153 PolarHBondContact N-O 2.6Å; N153-F159 HydrophobicContact CB-CB 4.14Å; N153-F159 HydrophobicContact CB-CD1 3.84Å; N153-F159 HydrophobicContact CB-CE1 4.43Å; N153-F159 HydrophobicContact CB-CG 4.04Å; N153-R162 HydrophobicContact CB-CG 4.05Å; N153-R162 PolarHBondContact N-O 3.46Å; N153-S163 WeakPolarHBondContact CB-O 3.35Å; N153-Q164 HydrophobicContact CB-CG 4.25Å; N153-Q164 PolarHBondContact O-OE1 3.33Å; N153-Q164 PolarHBondContact OD1-NE2 3.46Å; N153-A255 PolarHBondContact ND2-O 3.08Å
154G97.3Very high97.7Very high0 Ų027.4 Ų27.40%014%0.136CC..BIsolated β-bridgetrans-148.9-178.9168.800000112.8F113 P152 R156 F159F113-G154 CarbonylContact O-C 3.15Å; F113-G154 WeakPolarHBondContact O-CA 3.49Å; P152-G154 WeakPolarHBondContact CG-O 2.95Å; P152-G154 PolarHBondContact O-N 3.49Å; P152-G154 VanDerWaalsContact O-N 3.14Å; G154-R156 PolarHBondContact O-N 3.41Å; G154-F159 VanDerWaalsContact C-CD2 3.48Å; G154-F159 WeakPolarHBondContact O-CB 3.41Å; G154-F159 WeakPolarHBondContact O-CD2 3.47Å
155G97.2Very high97.7Very high0 Ų027.5 Ų27.50%014%0.136CC..SBendtrans-73.942.2-174.100000115.8L96 L97 F113L96-G155 CarbonylContact C-O 3.55Å; L96-G155 WeakPolarHBondContact CA-O 3.36Å; L96-G155 VanDerWaalsContact CD1-O 3.3Å; L96-G155 WeakPolarHBondContact CD1-O 3.28Å; L97-G155 PolarHBondContact N-O 2.94Å; F113-G155 PolarHBondContact O-N 3.21Å
156R97Very high97.7Very high11 Ų1127.5 Ų27.54%0.04214%0.136CC..BIsolated β-bridgetrans-130.7147.4179.9-60.6-93.3-176.2-163-9.4112.4E41 S95 E112 G154 Y158 F159E41-R156 IonicContact OE1-CZ 2.9Å; E41-R156 VanDerWaalsContact OE1-CZ 3.25Å; E41-R156 IonicContact OE1-NH1 3.48Å; E41-R156 PolarHBondContact OE1-NH1 3.18Å; E41-R156 IonicContact OE1-NH2 3.88Å; E41-R156 PolarHBondContact OE1-NH2 3.09Å; S95-R156 CarbonylContact O-C 3.28Å; S95-R156 WeakPolarHBondContact O-CA 3.44Å; S95-R156 WeakPolarHBondContact O-CB 3.11Å; S95-R156 WeakPolarHBondContact O-CD 3.41Å; S95-R156 WeakPolarHBondContact OG-CD 3.19Å; S95-R156 PolarHBondContact OG-NH1 3.08Å; E112-R156 HydrophobicContact CB-CG 4.34Å; E112-R156 HydrophobicContact CG-CG 3.95Å; E112-R156 IonicContact OE2-CZ 3.63Å; E112-R156 IonicContact OE2-NE 3.92Å; E112-R156 PolarHBondContact OE2-NE 3.35Å; E112-R156 IonicContact OE2-NH2 3.38Å; E112-R156 PolarHBondContact OE2-NH2 3.17Å; E112-R156 VanDerWaalsContact OE2-NH2 3.08Å; G154-R156 PolarHBondContact O-N 3.41Å; R156-Y158 HydrophobicContact CB-CD1 4.05Å; R156-Y158 HydrophobicContact CB-CD2 4.01Å; R156-Y158 HydrophobicContact CB-CE1 3.66Å; R156-Y158 HydrophobicContact CB-CE2 3.59Å; R156-Y158 HydrophobicContact CB-CG 4.22Å; R156-Y158 VanDerWaalsContact CB-CZ 3.42Å; R156-Y158 WeakPolarHBondContact CD-OH 3.38Å; R156-Y158 HydrophobicContact CG-CE1 3.99Å; R156-Y158 HydrophobicContact CG-CE2 3.98Å; R156-Y158 VanDerWaalsContact CG-OH 3.31Å; R156-Y158 WeakPolarHBondContact CG-OH 3.42Å; R156-Y158 PolarHBondContact O-N 3.44Å; R156-F159 HydrophobicContact CB-CD2 3.61Å; R156-F159 HydrophobicContact CB-CE2 4.02Å; R156-F159 HydrophobicContact CB-CG 4.46Å; R156-F159 HydrophobicContact CG-CD2 4.13Å; R156-F159 HydrophobicContact CG-CE2 4.08Å; R156-F159 WeakPolarHBondContact O-CA 3.37Å; R156-F159 WeakPolarHBondContact O-CB 3.32Å; R156-F159 PolarHBondContact O-N 2.82Å
157V96.8Very high97.8Very high56 Ų5623.2 Ų23.234%0.33911%0.113SC..G310 helixtrans-55-36.3179.7-62.60000112.9S95 L97 F159 L160S95-V157 PolarHBondContact O-N 2.9Å; L97-V157 HydrophobicContact CD2-CB 4.47Å; L97-V157 HydrophobicContact CD2-CG1 3.64Å; V157-F159 PolarHBondContact O-N 3.18Å; V157-L160 VanDerWaalsContact O-CB 3.31Å; V157-L160 WeakPolarHBondContact O-CB 3.46Å; V157-L160 WeakPolarHBondContact O-CG 3.15Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-L160 VanDerWaalsContact O-N 3.13Å
158Y95.8Very high97.8Very high45 Ų4518.2 Ų18.218%0.1769%0.089CC..G310 helixtrans-74.3-7.6178.350.7-105.8000113.9R156 R162 P225 E226R156-Y158 HydrophobicContact CB-CD1 4.05Å; R156-Y158 HydrophobicContact CB-CD2 4.01Å; R156-Y158 HydrophobicContact CB-CE1 3.66Å; R156-Y158 HydrophobicContact CB-CE2 3.59Å; R156-Y158 HydrophobicContact CB-CG 4.22Å; R156-Y158 VanDerWaalsContact CB-CZ 3.42Å; R156-Y158 WeakPolarHBondContact CD-OH 3.38Å; R156-Y158 HydrophobicContact CG-CE1 3.99Å; R156-Y158 HydrophobicContact CG-CE2 3.98Å; R156-Y158 VanDerWaalsContact CG-OH 3.31Å; R156-Y158 WeakPolarHBondContact CG-OH 3.42Å; R156-Y158 PolarHBondContact O-N 3.44Å; Y158-R162 PolarHBondContact O-NH1 3.36Å; Y158-P225 HydrophobicContact CD1-CB 4.3Å; Y158-P225 HydrophobicContact CG-CB 4.23Å; Y158-P225 HydrophobicContact CG-CG 4.42Å; Y158-E226 HydrophobicContact CD2-CB 4.42Å; Y158-E226 WeakPolarHBondContact CD2-OE2 3.17Å; Y158-E226 HydrophobicContact CE2-CB 3.87Å; Y158-E226 HydrophobicContact CE2-CG 4.33Å
159F97.5Very high97.9Very high5 Ų514.7 Ų14.72%0.0228%0.075CC..G310 helixtrans-89.6-8.1169.4-64.9-48.5000113.2E112 Y114 P152 N153 G154 R156 V157 F161 R162E112-F159 HydrophobicContact CG-CE2 4.43Å; Y114-F159 HydrophobicContact CE1-CE2 4.16Å; Y114-F159 AromaticContact CE1-CZ 3.99Å; Y114-F159 HydrophobicContact CE1-CZ 3.99Å; P152-F159 HydrophobicContact CB-CB 4.01Å; N153-F159 HydrophobicContact CB-CB 4.14Å; N153-F159 HydrophobicContact CB-CD1 3.84Å; N153-F159 HydrophobicContact CB-CE1 4.43Å; N153-F159 HydrophobicContact CB-CG 4.04Å; G154-F159 VanDerWaalsContact C-CD2 3.48Å; G154-F159 WeakPolarHBondContact O-CB 3.41Å; G154-F159 WeakPolarHBondContact O-CD2 3.47Å; R156-F159 HydrophobicContact CB-CD2 3.61Å; R156-F159 HydrophobicContact CB-CE2 4.02Å; R156-F159 HydrophobicContact CB-CG 4.46Å; R156-F159 HydrophobicContact CG-CD2 4.13Å; R156-F159 HydrophobicContact CG-CE2 4.08Å; R156-F159 WeakPolarHBondContact O-CA 3.37Å; R156-F159 WeakPolarHBondContact O-CB 3.32Å; R156-F159 PolarHBondContact O-N 2.82Å; V157-F159 PolarHBondContact O-N 3.18Å; F159-F161 PolarHBondContact O-N 3.41Å; F159-R162 VanDerWaalsContact CD1-CZ 3.48Å; F159-R162 VanDerWaalsContact CE1-NH2 3.26Å; F159-R162 PolarHBondContact O-N 2.89Å
160L97.3Very high97.9Very high47 Ų4715 Ų1525%0.2467%0.07CC..THydrogen-bonded Turntrans-66.35.4179.6-65.1177.8000115.2L97 Y148 F150 P152 V157L97-L160 HydrophobicContact CD1-CD2 3.79Å; L97-L160 HydrophobicContact CD1-CG 4.29Å; L97-L160 HydrophobicContact CD2-CD1 4.27Å; Y148-L160 HydrophobicContact CD1-CD1 4.01Å; Y148-L160 HydrophobicContact CD1-CD2 3.61Å; Y148-L160 HydrophobicContact CD1-CG 4.45Å; Y148-L160 HydrophobicContact CD2-CD2 3.76Å; Y148-L160 HydrophobicContact CE1-CD1 3.73Å; Y148-L160 HydrophobicContact CE1-CD2 3.92Å; Y148-L160 HydrophobicContact CE2-CD2 4.07Å; Y148-L160 HydrophobicContact CG-CD2 3.53Å; F150-L160 WeakPolarHBondContact CZ-O 3.34Å; P152-L160 HydrophobicContact CB-CD2 4.28Å; P152-L160 HydrophobicContact CG-CD2 4.35Å; V157-L160 VanDerWaalsContact O-CB 3.31Å; V157-L160 WeakPolarHBondContact O-CB 3.46Å; V157-L160 WeakPolarHBondContact O-CG 3.15Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-L160 VanDerWaalsContact O-N 3.13Å
161F96.6Very high97.9Very high95 Ų9514 Ų1442%0.4177%0.066SC..THydrogen-bonded Turntrans-102.5-9.5172.6-63.7-84.1000113.6F159 S218 D219 M220F159-F161 PolarHBondContact O-N 3.41Å; F161-S218 PolarHBondContact O-OG 3.35Å; F161-D219 PolarHBondContact O-N 3.39Å; F161-M220 HydrophobicContact CB-CB 3.9Å; F161-M220 HydrophobicContact CG-CB 4.23Å
162R97.6Very high97.9Very high0 Ų014 Ų140%07%0.066CC..  trans-148.5140.4-172.959.8-175.1172.8-68.86.1112P152 N153 Y158 F159 E226 A252 E256P152-R162 CarbonylContact C-O 3.55Å; P152-R162 WeakPolarHBondContact CA-O 3.32Å; N153-R162 HydrophobicContact CB-CG 4.05Å; N153-R162 PolarHBondContact N-O 3.46Å; Y158-R162 PolarHBondContact O-NH1 3.36Å; F159-R162 VanDerWaalsContact CD1-CZ 3.48Å; F159-R162 VanDerWaalsContact CE1-NH2 3.26Å; F159-R162 PolarHBondContact O-N 2.89Å; R162-E226 IonicContact CZ-OE1 2.87Å; R162-E226 IonicContact NH2-OE1 2.82Å; R162-E226 PolarHBondContact NH2-OE1 2.82Å; R162-E226 IonicContact NH2-OE2 3.71Å; R162-E226 PolarHBondContact NH2-OE2 2.82Å; R162-A252 WeakPolarHBondContact CD-O 3.36Å; R162-E256 WeakPolarHBondContact CA-OE1 3.4Å; R162-E256 HydrophobicContact CB-CB 3.92Å; R162-E256 HydrophobicContact CB-CG 3.92Å
163S98.5Very high97.9Very high0 Ų016.5 Ų16.50%08%0.076CC..  trans-89.3-151.7171.5-166.10000111.2I151 N153 E256I151-S163 WeakPolarHBondContact O-CA 3.3Å; I151-S163 WeakPolarHBondContact O-CB 3.42Å; I151-S163 PolarHBondContact O-OG 2.87Å; N153-S163 WeakPolarHBondContact CB-O 3.35Å; S163-E256 PolarHBondContact N-OE1 3.47Å; S163-E256 WeakPolarHBondContact O-CG 3.5Å
164Q98.4Very high97.9Very high6 Ų617.1 Ų17.13%0.0288%0.079CC..  trans-151177170.6-111.2-175.4-700108.6Y115 W116 N153 W199 E256Y115-Q164 HydrophobicContact CD1-CB 3.97Å; Y115-Q164 HydrophobicContact CG-CB 4.33Å; Y115-Q164 VanDerWaalsContact N-OE1 3.11Å; W116-Q164 HydrophobicContact CB-CB 4.47Å; W116-Q164 VanDerWaalsContact CD1-NE2 3.31Å; W116-Q164 HydrophobicContact CG-CG 4.47Å; N153-Q164 HydrophobicContact CB-CG 4.25Å; N153-Q164 PolarHBondContact O-OE1 3.33Å; N153-Q164 PolarHBondContact OD1-NE2 3.46Å; Q164-W199 VanDerWaalsContact O-CZ2 3.31Å; Q164-W199 WeakPolarHBondContact O-CZ2 3.5Å; Q164-E256 WeakPolarHBondContact CA-O 3.49Å
165P98.8Very high98Very high1 Ų117.7 Ų17.71%0.0068%0.081CC..SBendtrans-49.6123.9179.1-33.640.8000113.4W116 L167 Y216 T257 F292W116-P165 HydrophobicContact CB-CB 4.06Å; W116-P165 HydrophobicContact CB-CG 4.37Å; W116-P165 HydrophobicContact CD2-CB 4.28Å; W116-P165 HydrophobicContact CD2-CG 3.82Å; W116-P165 HydrophobicContact CE3-CB 3.73Å; W116-P165 HydrophobicContact CE3-CG 3.37Å; W116-P165 HydrophobicContact CG-CB 4.44Å; W116-P165 HydrophobicContact CG-CG 4.25Å; W116-P165 HydrophobicContact CZ3-CG 3.88Å; P165-L167 PolarHBondContact O-N 2.79Å; P165-Y216 WeakPolarHBondContact CG-OH 3.47Å; P165-T257 WeakPolarHBondContact CG-O 3.38Å; P165-F292 HydrophobicContact CB-CD2 4.05Å; P165-F292 HydrophobicContact CB-CE2 3.81Å
166P98.8Very high98Very high0 Ų017.9 Ų17.90%08%0.082CC..  trans-82.891.1-162.530.4-35.2000112.9Y115 W199 L289 F292 M293 N296Y115-P166 HydrophobicContact CE1-CB 4.5Å; Y115-P166 VanDerWaalsContact OH-CA 3.32Å; Y115-P166 WeakPolarHBondContact OH-CA 3.37Å; P166-W199 HydrophobicContact CB-CZ2 3.9Å; P166-W199 HydrophobicContact CG-CD2 4.35Å; P166-W199 HydrophobicContact CG-CZ2 3.94Å; P166-L289 HydrophobicContact CG-CD1 4.09Å; P166-F292 HydrophobicContact CG-CB 4.18Å; P166-M293 HydrophobicContact CG-SD 3.79Å; P166-N296 PolarHBondContact O-ND2 3.38Å
167L98.8Very high98Very high0 Ų020.5 Ų20.50%010%0.102CC..  trans-108.24.3-176.5-65.9173.8000114.2Y115 W116 F119 W120 P165 I169 R170 M171 F292 M295Y115-L167 PolarHBondContact OH-N 2.75Å; W116-L167 HydrophobicContact CB-CD1 4.25Å; F119-L167 HydrophobicContact CB-CB 4.11Å; F119-L167 HydrophobicContact CB-CD1 3.82Å; F119-L167 HydrophobicContact CD1-CD1 3.81Å; F119-L167 HydrophobicContact CG-CB 4.25Å; F119-L167 HydrophobicContact CG-CD1 3.94Å; W120-L167 HydrophobicContact CH2-CD1 3.63Å; W120-L167 HydrophobicContact CZ2-CD1 4.18Å; W120-L167 HydrophobicContact CZ3-CD1 4.08Å; P165-L167 PolarHBondContact O-N 2.79Å; L167-I169 PolarHBondContact O-N 2.9Å; L167-R170 WeakPolarHBondContact O-CB 3.38Å; L167-R170 PolarHBondContact O-N 2.98Å; L167-R170 VanDerWaalsContact O-N 3.13Å; L167-M171 HydrophobicContact CB-CE 4.18Å; L167-M171 WeakPolarHBondContact O-CG 3.43Å; L167-M171 PolarHBondContact O-N 2.99Å; L167-F292 HydrophobicContact CD2-CD1 4.08Å; L167-F292 HydrophobicContact CD2-CE1 4.21Å; L167-M295 HydrophobicContact CD2-CE 4.05Å
168F98.9Very high98Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-58.2-48.2-179.2174.1-126.6000113.2Y115 I138 L141 A142 I151 R170 M171 V172 A191 M192 E195Y115-F168 HydrophobicContact CE2-CB 3.86Å; Y115-F168 WeakPolarHBondContact OH-CB 3.43Å; Y115-F168 PolarHBondContact OH-N 3.03Å; I138-F168 HydrophobicContact CG2-CE2 3.77Å; L141-F168 HydrophobicContact CB-CD2 3.78Å; L141-F168 HydrophobicContact CB-CE2 3.91Å; L141-F168 HydrophobicContact CD1-CD2 4.05Å; A142-F168 HydrophobicContact CB-CE2 4.34Å; A142-F168 HydrophobicContact CB-CZ 3.85Å; I151-F168 HydrophobicContact CD1-CB 3.49Å; I151-F168 VanDerWaalsContact CD1-CB 3.49Å; I151-F168 HydrophobicContact CD1-CD1 4.13Å; I151-F168 HydrophobicContact CD1-CD2 4.09Å; I151-F168 HydrophobicContact CD1-CG 3.66Å; F168-R170 PolarHBondContact O-N 2.56Å; F168-M171 WeakPolarHBondContact O-CB 3.04Å; F168-M171 PolarHBondContact O-N 3.18Å; F168-M171 VanDerWaalsContact O-N 3.09Å; F168-V172 HydrophobicContact CD2-CG2 4.38Å; F168-V172 HydrophobicContact CE2-CG2 4.02Å; F168-V172 HydrophobicContact CZ-CG2 4.26Å; F168-V172 PolarHBondContact O-N 3.02Å; F168-A191 HydrophobicContact CE1-CB 4.07Å; F168-A191 HydrophobicContact CZ-CB 4.25Å; F168-M192 HydrophobicContact CD1-CG 3.97Å; F168-M192 HydrophobicContact CE1-CB 4.3Å; F168-M192 HydrophobicContact CE1-CG 3.55Å; F168-M192 HydrophobicContact CZ-CG 4.2Å; F168-E195 WeakPolarHBondContact CB-OE2 3.36Å
169I98.9Very high98Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-60.8-36.6177.5-64.4160.6000110.8L167 V172 Y173 M192 F196 N296 L299 L300L167-I169 PolarHBondContact O-N 2.9Å; I169-V172 PolarHBondContact O-N 3.21Å; I169-Y173 WeakPolarHBondContact O-CB 3.26Å; I169-Y173 PolarHBondContact O-N 2.69Å; I169-M192 HydrophobicContact CB-SD 4.35Å; I169-M192 HydrophobicContact CG1-CB 3.89Å; I169-M192 HydrophobicContact CG1-CG 3.88Å; I169-M192 HydrophobicContact CG1-SD 4.12Å; I169-M192 HydrophobicContact CG2-SD 4.21Å; I169-F196 HydrophobicContact CD1-CB 4.47Å; I169-F196 HydrophobicContact CD1-CD2 4.35Å; I169-N296 HydrophobicContact CD1-CB 3.71Å; I169-L299 HydrophobicContact CG2-CB 3.61Å; I169-L299 HydrophobicContact CG2-CD1 4.24Å; I169-L300 HydrophobicContact CD1-CD1 3.73Å; I169-L300 HydrophobicContact CD1-CD2 4.26Å; I169-L300 HydrophobicContact CD1-CG 3.86Å; I169-L300 HydrophobicContact CG1-CD2 4.45Å; I169-L300 HydrophobicContact CG1-CG 4.44Å; I169-L300 HydrophobicContact CG2-CG 4.24Å
170R98.6Very high98Very high24 Ų2424.4 Ų24.49%0.09114%0.14CC..Hα-helixtrans-67.1-40.2175.4-179.362.5-174.5-136.8-2111.8F119 L167 F168 Y173 E174 M295 L299 Y362 E418F119-R170 HydrophobicContact CD2-CG 4.45Å; F119-R170 HydrophobicContact CE2-CB 4.44Å; F119-R170 HydrophobicContact CE2-CG 3.63Å; F119-R170 HydrophobicContact CZ-CG 3.8Å; L167-R170 WeakPolarHBondContact O-CB 3.38Å; L167-R170 PolarHBondContact O-N 2.98Å; L167-R170 VanDerWaalsContact O-N 3.13Å; F168-R170 PolarHBondContact O-N 2.56Å; R170-Y173 PolarHBondContact O-N 2.98Å; R170-E174 HydrophobicContact CG-CG 4.47Å; R170-E174 IonicContact CZ-OE1 2.71Å; R170-E174 IonicContact NE-OE1 3.76Å; R170-E174 PolarHBondContact NE-OE1 3.3Å; R170-E174 IonicContact NH2-OE1 3.26Å; R170-E174 PolarHBondContact NH2-OE1 3.47Å; R170-E174 WeakPolarHBondContact O-CB 3.38Å; R170-E174 WeakPolarHBondContact O-CG 3.31Å; R170-E174 PolarHBondContact O-N 2.74Å; R170-M295 HydrophobicContact CB-CE 4.01Å; R170-M295 HydrophobicContact CG-CE 4.21Å; R170-L299 HydrophobicContact CB-CD1 4.08Å; R170-Y362 PolarHBondContact NE-OH 2.81Å; R170-E418 IonicContact NH2-OE1 3.19Å; R170-E418 PolarHBondContact NH2-OE1 2.68Å
171M98.8Very high97.9Very high0 Ų024.4 Ų24.40%014%0.14CC..Hα-helixtrans-59.4-48.6174.5-67.1172.2-149.100111.3Y115 T118 F119 F122 I138 L141 L167 F168 Y173 E174 Y175Y115-M171 HydrophobicContact CD2-CE 4.26Å; Y115-M171 HydrophobicContact CE2-CE 4.09Å; T118-M171 HydrophobicContact CG2-CE 4.06Å; T118-M171 HydrophobicContact CG2-SD 3.9Å; F119-M171 HydrophobicContact CB-CE 3.73Å; F119-M171 HydrophobicContact CB-CG 4.35Å; F119-M171 HydrophobicContact CD2-CG 3.65Å; F119-M171 HydrophobicContact CG-CG 4.48Å; F122-M171 HydrophobicContact CD1-CB 4.49Å; F122-M171 HydrophobicContact CD1-CG 4.31Å; F122-M171 HydrophobicContact CE1-CB 4.44Å; F122-M171 VanDerWaalsContact CZ-O 3.31Å; F122-M171 WeakPolarHBondContact CZ-O 3.48Å; I138-M171 HydrophobicContact CD1-CB 4.21Å; I138-M171 HydrophobicContact CG1-CB 4.16Å; L141-M171 HydrophobicContact CD1-CE 3.77Å; L141-M171 HydrophobicContact CD1-SD 3.39Å; L141-M171 WeakPolarHBondContact CD1-SD 3.36Å; L167-M171 HydrophobicContact CB-CE 4.18Å; L167-M171 WeakPolarHBondContact O-CG 3.43Å; L167-M171 PolarHBondContact O-N 2.99Å; F168-M171 WeakPolarHBondContact O-CB 3.04Å; F168-M171 PolarHBondContact O-N 3.18Å; F168-M171 VanDerWaalsContact O-N 3.09Å; M171-Y173 PolarHBondContact O-N 3.36Å; M171-E174 PolarHBondContact O-N 3.14Å; M171-Y175 WeakPolarHBondContact O-CB 3.44Å; M171-Y175 PolarHBondContact O-N 3.22Å
172V98.7Very high97.9Very high0 Ų023.1 Ų23.10%014%0.135CC..Hα-helixtrans-60.4-47.5177.6178.70000110.4I138 F168 I169 E174 Y175 V176 A185 L188 M192I138-V172 HydrophobicContact CG2-CG2 3.67Å; F168-V172 HydrophobicContact CD2-CG2 4.38Å; F168-V172 HydrophobicContact CE2-CG2 4.02Å; F168-V172 HydrophobicContact CZ-CG2 4.26Å; F168-V172 PolarHBondContact O-N 3.02Å; I169-V172 PolarHBondContact O-N 3.21Å; V172-E174 PolarHBondContact O-N 3.08Å; V172-Y175 PolarHBondContact O-N 3.49Å; V172-V176 HydrophobicContact CG1-CG2 4.19Å; V172-V176 WeakPolarHBondContact O-CB 3.49Å; V172-V176 WeakPolarHBondContact O-CG2 3.49Å; V172-V176 PolarHBondContact O-N 3.02Å; V172-A185 HydrophobicContact CG1-CB 4.45Å; V172-L188 HydrophobicContact CG2-CD1 3.92Å; V172-M192 HydrophobicContact CB-SD 3.69Å; V172-M192 HydrophobicContact CG1-CE 3.94Å; V172-M192 HydrophobicContact CG1-SD 3.77Å; V172-M192 HydrophobicContact CG2-CG 4.31Å; V172-M192 HydrophobicContact CG2-SD 3.82Å
173Y98.5Very high97.9Very high51 Ų5129.5 Ų29.520%0.217%0.169CC..Hα-helixtrans-59.5-44.8178.7-178.8-89.4000112.5I169 R170 M171 S177 L299 E302 L303I169-Y173 WeakPolarHBondContact O-CB 3.26Å; I169-Y173 PolarHBondContact O-N 2.69Å; R170-Y173 PolarHBondContact O-N 2.98Å; M171-Y173 PolarHBondContact O-N 3.36Å; Y173-S177 WeakPolarHBondContact CE1-OG 3.48Å; Y173-S177 VanDerWaalsContact O-CB 3.3Å; Y173-S177 WeakPolarHBondContact O-CB 3.32Å; Y173-S177 PolarHBondContact O-N 3.18Å; Y173-S177 PolarHBondContact O-OG 3.37Å; Y173-L299 HydrophobicContact CD1-CD2 4.01Å; Y173-L299 HydrophobicContact CD2-CD2 3.75Å; Y173-L299 HydrophobicContact CE1-CD2 4.25Å; Y173-L299 HydrophobicContact CE2-CD2 3.99Å; Y173-L299 HydrophobicContact CG-CD1 4.39Å; Y173-L299 HydrophobicContact CG-CD2 3.77Å; Y173-E302 VanDerWaalsContact CE2-OE2 3.28Å; Y173-E302 WeakPolarHBondContact CE2-OE2 3.49Å; Y173-E302 PolarHBondContact OH-OE2 3.23Å; Y173-L303 HydrophobicContact CD2-CD2 4.02Å; Y173-L303 HydrophobicContact CD2-CG 4.12Å
174E97.9Very high97.9Very high18 Ų1829.5 Ų29.58%0.08417%0.169CC..Hα-helixtrans-66.2-41.9178.1-75.7-160.6-172.400112.1F119 F122 K123 L126 R170 M171 V172 V176 S177 V178F119-E174 WeakPolarHBondContact CZ-OE1 3.37Å; F122-E174 HydrophobicContact CE1-CB 3.85Å; F122-E174 HydrophobicContact CZ-CB 4.22Å; K123-E174 IonicContact NZ-OE1 2.6Å; K123-E174 PolarHBondContact NZ-OE1 2.66Å; K123-E174 IonicContact NZ-OE2 3.89Å; K123-E174 PolarHBondContact NZ-OE2 3.38Å; L126-E174 HydrophobicContact CD1-CB 4.5Å; R170-E174 HydrophobicContact CG-CG 4.47Å; R170-E174 IonicContact CZ-OE1 2.71Å; R170-E174 IonicContact NE-OE1 3.76Å; R170-E174 PolarHBondContact NE-OE1 3.3Å; R170-E174 IonicContact NH2-OE1 3.26Å; R170-E174 PolarHBondContact NH2-OE1 3.47Å; R170-E174 WeakPolarHBondContact O-CB 3.38Å; R170-E174 WeakPolarHBondContact O-CG 3.31Å; R170-E174 PolarHBondContact O-N 2.74Å; M171-E174 PolarHBondContact O-N 3.14Å; V172-E174 PolarHBondContact O-N 3.08Å; E174-V176 PolarHBondContact O-N 3.05Å; E174-S177 PolarHBondContact O-N 3.47Å; E174-V178 WeakPolarHBondContact O-CG2 3.08Å; E174-V178 PolarHBondContact O-N 2.83Å; E174-V178 VanDerWaalsContact O-N 3.15Å
175Y98.5Very high97.8Very high13 Ų1329.2 Ų29.25%0.05117%0.168CC..Hα-helixtrans-56.8-54176.5-177.3-94000110.6F122 L126 F131 A134 R135 I138 M171 V172 S177 V178 T179 D181 F184F122-Y175 HydrophobicContact CE2-CD2 4.06Å; L126-Y175 HydrophobicContact CD2-CD2 4.11Å; F131-Y175 HydrophobicContact CB-CE2 4.38Å; F131-Y175 WeakPolarHBondContact O-CE2 3.18Å; F131-Y175 PolarHBondContact O-OH 2.8Å; A134-Y175 HydrophobicContact CB-CD2 4.41Å; A134-Y175 HydrophobicContact CB-CE2 4.41Å; R135-Y175 HydrophobicContact CB-CE2 3.99Å; R135-Y175 HydrophobicContact CG-CE1 4.47Å; I138-Y175 HydrophobicContact CD1-CD2 4.31Å; I138-Y175 HydrophobicContact CD1-CG 4.12Å; M171-Y175 WeakPolarHBondContact O-CB 3.44Å; M171-Y175 PolarHBondContact O-N 3.22Å; V172-Y175 PolarHBondContact O-N 3.49Å; Y175-S177 VanDerWaalsContact C-N 3.27Å; Y175-S177 PolarHBondContact O-N 2.75Å; Y175-V178 PolarHBondContact O-N 2.93Å; Y175-V178 VanDerWaalsContact O-N 3.1Å; Y175-T179 HydrophobicContact CD1-CG2 4.31Å; Y175-T179 HydrophobicContact CD2-CG2 4.3Å; Y175-T179 HydrophobicContact CE1-CG2 3.98Å; Y175-T179 WeakPolarHBondContact CE1-OG1 3.4Å; Y175-T179 HydrophobicContact CE2-CG2 3.96Å; Y175-T179 HydrophobicContact CG-CG2 4.48Å; Y175-T179 WeakPolarHBondContact O-CG2 3.3Å; Y175-T179 PolarHBondContact O-N 3.06Å; Y175-T179 PolarHBondContact O-OG1 3.28Å; Y175-D181 HydrophobicContact CE1-CB 4.18Å; Y175-F184 AromaticContact CD1-CD1 3.5Å; Y175-F184 HydrophobicContact CD1-CD1 3.5Å; Y175-F184 VanDerWaalsContact CD1-CD1 3.5Å; Y175-F184 AromaticContact CD1-CE1 3.79Å; Y175-F184 HydrophobicContact CD1-CE1 3.79Å; Y175-F184 AromaticContact CE1-CD1 3.55Å; Y175-F184 HydrophobicContact CE1-CD1 3.55Å; Y175-F184 AromaticContact CE1-CE1 3.93Å; Y175-F184 HydrophobicContact CE1-CE1 3.93Å; Y175-F184 HydrophobicContact CE1-CG 4.38Å; Y175-F184 HydrophobicContact CG-CD1 4.44Å; Y175-F184 HydrophobicContact CG-CE1 4.32Å
176V97.8Very high97.8Very high3 Ų332.3 Ų32.32%0.01819%0.186CC..Hα-helixtrans-64.2-34-178.3177.50000111.4V172 E174 V178 G180 D181 F182 A185V172-V176 HydrophobicContact CG1-CG2 4.19Å; V172-V176 WeakPolarHBondContact O-CB 3.49Å; V172-V176 WeakPolarHBondContact O-CG2 3.49Å; V172-V176 PolarHBondContact O-N 3.02Å; E174-V176 PolarHBondContact O-N 3.05Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.19Å; V176-G180 VanDerWaalsContact O-CA 3.26Å; V176-G180 WeakPolarHBondContact O-CA 3.2Å; V176-G180 PolarHBondContact O-N 3.13Å; V176-D181 WeakPolarHBondContact CG2-O 3.42Å; V176-F182 HydrophobicContact CG1-CD1 3.56Å; V176-F182 HydrophobicContact CG1-CD2 4.33Å; V176-F182 HydrophobicContact CG1-CE1 3.38Å; V176-F182 HydrophobicContact CG1-CE2 4.22Å; V176-F182 HydrophobicContact CG1-CG 4.01Å; V176-F182 HydrophobicContact CG1-CZ 3.73Å; V176-A185 HydrophobicContact CG1-CB 4.49Å; V176-A185 HydrophobicContact CG2-CB 3.74Å
177S96.6Very high97.8Very high67 Ų6737 Ų3747%0.46921%0.208SC..Hα-helixtrans-66.2-30.5177.1-63.10000112.7Y173 E174 Y175Y173-S177 WeakPolarHBondContact CE1-OG 3.48Å; Y173-S177 VanDerWaalsContact O-CB 3.3Å; Y173-S177 WeakPolarHBondContact O-CB 3.32Å; Y173-S177 PolarHBondContact O-N 3.18Å; Y173-S177 PolarHBondContact O-OG 3.37Å; E174-S177 PolarHBondContact O-N 3.47Å; Y175-S177 VanDerWaalsContact C-N 3.27Å; Y175-S177 PolarHBondContact O-N 2.75Å
178V96.1Very high97.8Very high88 Ų8837.4 Ų37.453%0.53321%0.21SC..Hα-helixtrans-87.7-40.5178.4175.50000111.7L126 F131 E174 Y175 V176L126-V178 HydrophobicContact CD1-CG2 4.26Å; F131-V178 HydrophobicContact CE1-CG1 3.72Å; F131-V178 HydrophobicContact CZ-CG1 4.23Å; E174-V178 WeakPolarHBondContact O-CG2 3.08Å; E174-V178 PolarHBondContact O-N 2.83Å; E174-V178 VanDerWaalsContact O-N 3.15Å; Y175-V178 PolarHBondContact O-N 2.93Å; Y175-V178 VanDerWaalsContact O-N 3.1Å; V176-V178 VanDerWaalsContact C-N 3.27Å; V176-V178 PolarHBondContact O-N 3.19Å
179T96.8Very high97.8Very high54 Ų5437.9 Ų37.933%0.33121%0.213SC..Hα-helixtrans-94.3-22.2-173.163.30000114.3F131 Y175 D181F131-T179 HydrophobicContact CD1-CG2 3.88Å; F131-T179 HydrophobicContact CE1-CG2 4.36Å; F131-T179 HydrophobicContact CG-CG2 4.36Å; Y175-T179 HydrophobicContact CD1-CG2 4.31Å; Y175-T179 HydrophobicContact CD2-CG2 4.3Å; Y175-T179 HydrophobicContact CE1-CG2 3.98Å; Y175-T179 WeakPolarHBondContact CE1-OG1 3.4Å; Y175-T179 HydrophobicContact CE2-CG2 3.96Å; Y175-T179 HydrophobicContact CG-CG2 4.48Å; Y175-T179 WeakPolarHBondContact O-CG2 3.3Å; Y175-T179 PolarHBondContact O-N 3.06Å; Y175-T179 PolarHBondContact O-OG1 3.28Å; T179-D181 PolarHBondContact O-N 3.45Å; T179-D181 WeakPolarHBondContact OG1-CB 3.47Å; T179-D181 PolarHBondContact OG1-N 3.2Å
180G96.5Very high97.8Very high45 Ų4541.8 Ų41.846%0.46424%0.238SC..  trans73.47.7-170.500000114.6V176 F182V176-G180 VanDerWaalsContact O-CA 3.26Å; V176-G180 WeakPolarHBondContact O-CA 3.2Å; V176-G180 PolarHBondContact O-N 3.13Å; G180-F182 WeakPolarHBondContact O-CD2 3.43Å; G180-F182 PolarHBondContact O-N 3.42Å
181D96.9Very high97.8Very high47 Ų4740.9 Ų40.925%0.25124%0.235SC..  trans-7875.8-174.7-172.3-4.2000112.5Y175 V176 T179 D183 F184 A185Y175-D181 HydrophobicContact CE1-CB 4.18Å; V176-D181 WeakPolarHBondContact CG2-O 3.42Å; T179-D181 PolarHBondContact O-N 3.45Å; T179-D181 WeakPolarHBondContact OG1-CB 3.47Å; T179-D181 PolarHBondContact OG1-N 3.2Å; D181-D183 VanDerWaalsContact C-N 3.27Å; D181-D183 PolarHBondContact O-N 2.79Å; D181-D183 PolarHBondContact OD1-N 3.38Å; D181-F184 HydrophobicContact CB-CB 4.24Å; D181-F184 PolarHBondContact O-N 2.78Å; D181-F184 WeakPolarHBondContact OD1-CB 3.47Å; D181-F184 PolarHBondContact OD1-N 2.94Å; D181-F184 VanDerWaalsContact OD2-CB 3.27Å; D181-F184 WeakPolarHBondContact OD2-CB 3.46Å; D181-A185 PolarHBondContact O-N 3.02Å
182F96.3Very high97.8Very high68 Ų6840.9 Ų40.930%0.29824%0.235SC..Hα-helixtrans-70.6-20.4177.2-74.1-73.9000113.9V176 G180 F184 A185 T186 K306V176-F182 HydrophobicContact CG1-CD1 3.56Å; V176-F182 HydrophobicContact CG1-CD2 4.33Å; V176-F182 HydrophobicContact CG1-CE1 3.38Å; V176-F182 HydrophobicContact CG1-CE2 4.22Å; V176-F182 HydrophobicContact CG1-CG 4.01Å; V176-F182 HydrophobicContact CG1-CZ 3.73Å; G180-F182 WeakPolarHBondContact O-CD2 3.43Å; G180-F182 PolarHBondContact O-N 3.42Å; F182-F184 VanDerWaalsContact C-N 3.33Å; F182-A185 WeakPolarHBondContact O-CB 3.37Å; F182-A185 PolarHBondContact O-N 3.14Å; F182-T186 PolarHBondContact O-N 2.82Å; F182-T186 PolarHBondContact O-OG1 3.25Å; F182-K306 HydrophobicContact CD1-CB 4.2Å; F182-K306 HydrophobicContact CD1-CD 4.33Å; F182-K306 HydrophobicContact CE1-CB 3.94Å; F182-K306 HydrophobicContact CE1-CD 3.29Å; F182-K306 HydrophobicContact CE1-CG 4.26Å; F182-K306 HydrophobicContact CZ-CD 3.5Å; F182-K306 VanDerWaalsContact CZ-CD 3.5Å
183D97.3Very high97.8Very high134 Ų13442.1 Ų42.172%0.71724%0.242SC*.Hα-helixtrans-66.7-40.3173.9-71.6-18.8000110D181 T186 E187D181-D183 VanDerWaalsContact C-N 3.27Å; D181-D183 PolarHBondContact O-N 2.79Å; D181-D183 PolarHBondContact OD1-N 3.38Å; D183-T186 WeakPolarHBondContact O-CB 3.46Å; D183-T186 PolarHBondContact O-N 3.43Å; D183-E187 PolarHBondContact O-N 2.82Å
184F97.8Very high97.8Very high1 Ų143.7 Ų43.70%0.00425%0.249CC..Hα-helixtrans-64.4-38.2172.2-175.8-123.9000113.1R135 I138 K139 Y175 D181 F182 T186 E187 L188R135-F184 HydrophobicContact CB-CZ 4.44Å; R135-F184 HydrophobicContact CG-CD1 4.35Å; R135-F184 HydrophobicContact CG-CD2 4.22Å; R135-F184 HydrophobicContact CG-CE1 3.83Å; R135-F184 HydrophobicContact CG-CE2 3.7Å; R135-F184 HydrophobicContact CG-CZ 3.45Å; R135-F184 VanDerWaalsContact CG-CZ 3.45Å; I138-F184 HydrophobicContact CB-CE1 4.3Å; I138-F184 HydrophobicContact CB-CZ 4.02Å; I138-F184 HydrophobicContact CD1-CE1 4.13Å; I138-F184 HydrophobicContact CG2-CE1 3.97Å; I138-F184 HydrophobicContact CG2-CZ 3.76Å; K139-F184 HydrophobicContact CD-CE2 4.29Å; K139-F184 VanDerWaalsContact CE-CE2 3.49Å; K139-F184 HydrophobicContact CG-CE2 3.78Å; K139-F184 HydrophobicContact CG-CZ 4.14Å; Y175-F184 AromaticContact CD1-CD1 3.5Å; Y175-F184 HydrophobicContact CD1-CD1 3.5Å; Y175-F184 VanDerWaalsContact CD1-CD1 3.5Å; Y175-F184 AromaticContact CD1-CE1 3.79Å; Y175-F184 HydrophobicContact CD1-CE1 3.79Å; Y175-F184 AromaticContact CE1-CD1 3.55Å; Y175-F184 HydrophobicContact CE1-CD1 3.55Å; Y175-F184 AromaticContact CE1-CE1 3.93Å; Y175-F184 HydrophobicContact CE1-CE1 3.93Å; Y175-F184 HydrophobicContact CE1-CG 4.38Å; Y175-F184 HydrophobicContact CG-CD1 4.44Å; Y175-F184 HydrophobicContact CG-CE1 4.32Å; D181-F184 HydrophobicContact CB-CB 4.24Å; D181-F184 PolarHBondContact O-N 2.78Å; D181-F184 WeakPolarHBondContact OD1-CB 3.47Å; D181-F184 PolarHBondContact OD1-N 2.94Å; D181-F184 VanDerWaalsContact OD2-CB 3.27Å; D181-F184 WeakPolarHBondContact OD2-CB 3.46Å; F182-F184 VanDerWaalsContact C-N 3.33Å; F184-T186 VanDerWaalsContact C-N 3.27Å; F184-T186 PolarHBondContact O-N 3.07Å; F184-E187 WeakPolarHBondContact O-CB 3.44Å; F184-E187 PolarHBondContact O-N 3.43Å; F184-L188 HydrophobicContact CD1-CD1 4.34Å; F184-L188 HydrophobicContact CD2-CD1 4.15Å; F184-L188 HydrophobicContact CD2-CG 4.2Å; F184-L188 HydrophobicContact CE1-CD1 3.77Å; F184-L188 HydrophobicContact CE2-CD1 3.52Å; F184-L188 HydrophobicContact CE2-CD2 4.3Å; F184-L188 HydrophobicContact CE2-CG 3.89Å; F184-L188 HydrophobicContact CZ-CD1 3.34Å; F184-L188 HydrophobicContact CZ-CG 4.22Å; F184-L188 WeakPolarHBondContact O-CG 3.21Å; F184-L188 PolarHBondContact O-N 2.87Å; F184-L188 VanDerWaalsContact O-N 3.11Å
185A97.7Very high97.8Very high0 Ų042.9 Ų42.90%025%0.246CC..Hα-helixtrans-60.9-39.6172.200000112V172 V176 D181 F182 L188 M189 L303V172-A185 HydrophobicContact CG1-CB 4.45Å; V176-A185 HydrophobicContact CG1-CB 4.49Å; V176-A185 HydrophobicContact CG2-CB 3.74Å; D181-A185 PolarHBondContact O-N 3.02Å; F182-A185 WeakPolarHBondContact O-CB 3.37Å; F182-A185 PolarHBondContact O-N 3.14Å; A185-L188 PolarHBondContact O-N 2.83Å; A185-M189 PolarHBondContact O-N 3.05Å; A185-M189 VanDerWaalsContact O-N 3.08Å; A185-L303 HydrophobicContact CB-CD2 4.36Å
186T98.4Very high97.9Very high65 Ų6542.4 Ų42.440%0.39924%0.244SC..Hα-helixtrans-66.8-45.1177.7-55.90000110.9F182 D183 F184 L188 M189 I307F182-T186 PolarHBondContact O-N 2.82Å; F182-T186 PolarHBondContact O-OG1 3.25Å; D183-T186 WeakPolarHBondContact O-CB 3.46Å; D183-T186 PolarHBondContact O-N 3.43Å; F184-T186 VanDerWaalsContact C-N 3.27Å; F184-T186 PolarHBondContact O-N 3.07Å; T186-L188 VanDerWaalsContact C-N 3.27Å; T186-L188 PolarHBondContact O-N 3.29Å; T186-M189 PolarHBondContact O-N 3.35Å; T186-I307 VanDerWaalsContact OG1-CG2 3.28Å; T186-I307 WeakPolarHBondContact OG1-CG2 3.48Å
187E98.3Very high97.9Very high99 Ų9943.9 Ų43.946%0.46325%0.252SS..Hα-helixtrans-53.2-45.2175-173.4-170.2156.200111.1R135 K139 D183 F184 P190R135-E187 IonicContact NH2-OE2 3.29Å; R135-E187 PolarHBondContact NH2-OE2 3.39Å; K139-E187 VanDerWaalsContact CE-OE1 3.25Å; K139-E187 WeakPolarHBondContact CE-OE1 3.45Å; K139-E187 VanDerWaalsContact NZ-CD 3.35Å; K139-E187 IonicContact NZ-OE1 2.95Å; K139-E187 PolarHBondContact NZ-OE1 3.07Å; K139-E187 IonicContact NZ-OE2 3.75Å; K139-E187 PolarHBondContact NZ-OE2 2.83Å; D183-E187 PolarHBondContact O-N 2.82Å; F184-E187 WeakPolarHBondContact O-CB 3.44Å; F184-E187 PolarHBondContact O-N 3.43Å; E187-P190 WeakPolarHBondContact O-CD 3.37Å
188L98.5Very high98Very high8 Ų841.6 Ų41.64%0.04223%0.233CC..Hα-helixtrans-91.3-4.5-173.3-61.7-172.5000115.1I138 A142 V172 F184 A185 T186 P190 A191 M192I138-L188 HydrophobicContact CG2-CD1 3.28Å; A142-L188 HydrophobicContact CB-CD2 3.69Å; V172-L188 HydrophobicContact CG2-CD1 3.92Å; F184-L188 HydrophobicContact CD1-CD1 4.34Å; F184-L188 HydrophobicContact CD2-CD1 4.15Å; F184-L188 HydrophobicContact CD2-CG 4.2Å; F184-L188 HydrophobicContact CE1-CD1 3.77Å; F184-L188 HydrophobicContact CE2-CD1 3.52Å; F184-L188 HydrophobicContact CE2-CD2 4.3Å; F184-L188 HydrophobicContact CE2-CG 3.89Å; F184-L188 HydrophobicContact CZ-CD1 3.34Å; F184-L188 HydrophobicContact CZ-CG 4.22Å; F184-L188 WeakPolarHBondContact O-CG 3.21Å; F184-L188 PolarHBondContact O-N 2.87Å; F184-L188 VanDerWaalsContact O-N 3.11Å; A185-L188 PolarHBondContact O-N 2.83Å; T186-L188 VanDerWaalsContact C-N 3.27Å; T186-L188 PolarHBondContact O-N 3.29Å; L188-P190 VanDerWaalsContact C-CD 3.46Å; L188-P190 VanDerWaalsContact C-N 3.34Å; L188-A191 PolarHBondContact O-N 2.75Å; L188-A191 VanDerWaalsContact O-N 3.13Å; L188-M192 PolarHBondContact O-N 3.5Å
189M98.7Very high98.1Very high10 Ų1037.4 Ų37.45%0.04921%0.208CC..Hα-helixtrans-53.5-44.4-178.9-169.160.968.500113A185 T186 A191 M192 E193 L300 L303 N304 I307A185-M189 PolarHBondContact O-N 3.05Å; A185-M189 VanDerWaalsContact O-N 3.08Å; T186-M189 PolarHBondContact O-N 3.35Å; M189-A191 VanDerWaalsContact C-N 3.35Å; M189-A191 PolarHBondContact O-N 3.35Å; M189-M192 HydrophobicContact CB-CE 4.4Å; M189-M192 HydrophobicContact CE-CE 3.89Å; M189-M192 PolarHBondContact O-N 3.17Å; M189-M192 HydrophobicContact SD-CE 3.87Å; M189-E193 HydrophobicContact CG-CG 4.34Å; M189-E193 WeakPolarHBondContact O-CG 3.25Å; M189-E193 PolarHBondContact O-N 3.15Å; M189-E193 HydrophobicContact SD-CG 4.27Å; M189-L300 HydrophobicContact SD-CD2 3.91Å; M189-L303 HydrophobicContact CE-CB 3.7Å; M189-N304 PolarHBondContact SD-ND2 3.47Å; M189-I307 HydrophobicContact CB-CD1 4.46Å; M189-I307 HydrophobicContact CE-CD1 3.67Å; M189-I307 HydrophobicContact CG-CD1 4.26Å
190P98.6Very high98.2Very high83 Ų8335.9 Ų35.954%0.53920%0.197SC..Hα-helixtrans-59.3-42.2177.7-24.536000113.3E187 L188 K194E187-P190 WeakPolarHBondContact O-CD 3.37Å; L188-P190 VanDerWaalsContact C-CD 3.46Å; L188-P190 VanDerWaalsContact C-N 3.34Å; P190-K194 VanDerWaalsContact O-CB 3.22Å; P190-K194 WeakPolarHBondContact O-CB 3.4Å; P190-K194 PolarHBondContact O-N 2.88Å
191A98.8Very high98.3Very high4 Ų442.5 Ų42.53%0.03321%0.208CC..Hα-helixtrans-66.3-43.9177.700000111.2A142 V145 F168 L188 M189 E193 K194 E195A142-A191 HydrophobicContact CB-CB 3.96Å; V145-A191 HydrophobicContact CB-CB 4.31Å; V145-A191 HydrophobicContact CG1-CB 4.31Å; V145-A191 WeakPolarHBondContact CG1-O 3.23Å; F168-A191 HydrophobicContact CE1-CB 4.07Å; F168-A191 HydrophobicContact CZ-CB 4.25Å; L188-A191 PolarHBondContact O-N 2.75Å; L188-A191 VanDerWaalsContact O-N 3.13Å; M189-A191 VanDerWaalsContact C-N 3.35Å; M189-A191 PolarHBondContact O-N 3.35Å; A191-E193 PolarHBondContact O-N 3Å; A191-K194 PolarHBondContact O-N 3.16Å; A191-E195 PolarHBondContact O-N 2.69Å
192M98.9Very high98.3Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-59.9-45.1177.2-75.2-169.4-69.500112.3F168 I169 V172 L188 M189 F196 L300 L303F168-M192 HydrophobicContact CD1-CG 3.97Å; F168-M192 HydrophobicContact CE1-CB 4.3Å; F168-M192 HydrophobicContact CE1-CG 3.55Å; F168-M192 HydrophobicContact CZ-CG 4.2Å; I169-M192 HydrophobicContact CB-SD 4.35Å; I169-M192 HydrophobicContact CG1-CB 3.89Å; I169-M192 HydrophobicContact CG1-CG 3.88Å; I169-M192 HydrophobicContact CG1-SD 4.12Å; I169-M192 HydrophobicContact CG2-SD 4.21Å; V172-M192 HydrophobicContact CB-SD 3.69Å; V172-M192 HydrophobicContact CG1-CE 3.94Å; V172-M192 HydrophobicContact CG1-SD 3.77Å; V172-M192 HydrophobicContact CG2-CG 4.31Å; V172-M192 HydrophobicContact CG2-SD 3.82Å; L188-M192 PolarHBondContact O-N 3.5Å; M189-M192 HydrophobicContact CB-CE 4.4Å; M189-M192 HydrophobicContact CE-CE 3.89Å; M189-M192 PolarHBondContact O-N 3.17Å; M189-M192 HydrophobicContact SD-CE 3.87Å; M192-F196 PolarHBondContact O-N 3.05Å; M192-L300 HydrophobicContact CB-CD2 3.83Å; M192-L303 HydrophobicContact CE-CD1 4Å; M192-L303 HydrophobicContact SD-CD1 4.04Å
193E98.8Very high98.4Very high27 Ų2740.8 Ų40.813%0.12620%0.202CC..Hα-helixtrans-66.5-38.8176.6-66.8-169.8156.800112.1M189 A191 F196 D197 L300 K312 Y316M189-E193 HydrophobicContact CG-CG 4.34Å; M189-E193 WeakPolarHBondContact O-CG 3.25Å; M189-E193 PolarHBondContact O-N 3.15Å; M189-E193 HydrophobicContact SD-CG 4.27Å; A191-E193 PolarHBondContact O-N 3Å; E193-F196 PolarHBondContact O-N 3.07Å; E193-D197 WeakPolarHBondContact O-CB 3.5Å; E193-D197 PolarHBondContact O-N 3.25Å; E193-L300 HydrophobicContact CG-CD2 4.4Å; E193-K312 WeakPolarHBondContact OE1-CD 3.5Å; E193-K312 IonicContact OE1-NZ 3.07Å; E193-K312 PolarHBondContact OE1-NZ 3.06Å; E193-K312 IonicContact OE2-NZ 2.64Å; E193-K312 PolarHBondContact OE2-NZ 3.27Å; E193-Y316 WeakPolarHBondContact CB-OH 2.99Å; E193-Y316 HydrophobicContact CG-CE2 4.01Å; E193-Y316 VanDerWaalsContact CG-OH 3.26Å; E193-Y316 WeakPolarHBondContact CG-OH 3.32Å; E193-Y316 WeakPolarHBondContact OE1-CE2 3.34Å
194K98.9Very high98.5Very high84 Ų8436 Ų3637%0.36518%0.179SC..Hα-helixtrans-64.7-42.6179.9-173.3176.8-176.8-157.40111.9V145 D146 P190 A191 D197 F198V145-K194 HydrophobicContact CG1-CB 3.8Å; V145-K194 HydrophobicContact CG1-CD 3.89Å; V145-K194 HydrophobicContact CG1-CG 3.89Å; V145-K194 WeakPolarHBondContact O-CE 3.49Å; V145-K194 PolarHBondContact O-NZ 3.49Å; D146-K194 PolarHBondContact O-NZ 3.13Å; P190-K194 VanDerWaalsContact O-CB 3.22Å; P190-K194 WeakPolarHBondContact O-CB 3.4Å; P190-K194 PolarHBondContact O-N 2.88Å; A191-K194 PolarHBondContact O-N 3.16Å; K194-D197 PolarHBondContact O-N 2.99Å; K194-F198 PolarHBondContact O-N 2.84Å
195E98.9Very high98.5Very high1 Ų137.9 Ų37.91%0.00519%0.188CC..Hα-helixtrans-65.8-43.2175.1-165.5-159.8-173.100111.5Y115 V145 F168 A191 D197 F198 W199Y115-E195 WeakPolarHBondContact CE1-OE1 3.41Å; Y115-E195 PolarHBondContact OH-OE1 3.06Å; Y115-E195 PolarHBondContact OH-OE2 2.72Å; Y115-E195 VanDerWaalsContact OH-OE2 3.1Å; V145-E195 HydrophobicContact CG1-CB 4.23Å; V145-E195 HydrophobicContact CG2-CB 4.05Å; V145-E195 HydrophobicContact CG2-CG 4.33Å; F168-E195 WeakPolarHBondContact CB-OE2 3.36Å; A191-E195 PolarHBondContact O-N 2.69Å; E195-D197 PolarHBondContact O-N 3Å; E195-F198 WeakPolarHBondContact O-CB 3.31Å; E195-F198 PolarHBondContact O-N 3.14Å; E195-W199 VanDerWaalsContact O-CD1 3.22Å; E195-W199 PolarHBondContact O-N 3.45Å
196F98.9Very high98.5Very high2 Ų243.3 Ų43.31%0.00921%0.214CC..Hα-helixtrans-58.1-40.7175.6-168.6-89.4000111.7I169 M192 E193 W199 L200 M293 N296 A297 L300 Y316 Y319I169-F196 HydrophobicContact CD1-CB 4.47Å; I169-F196 HydrophobicContact CD1-CD2 4.35Å; M192-F196 PolarHBondContact O-N 3.05Å; E193-F196 PolarHBondContact O-N 3.07Å; F196-W199 PolarHBondContact O-N 3.37Å; F196-L200 HydrophobicContact CD1-CD1 3.72Å; F196-L200 HydrophobicContact CD1-CG 4.04Å; F196-L200 HydrophobicContact CE1-CD1 3.63Å; F196-L200 HydrophobicContact CE1-CD2 4.24Å; F196-L200 HydrophobicContact CE1-CG 3.86Å; F196-L200 PolarHBondContact O-N 2.93Å; F196-L200 VanDerWaalsContact O-N 3.08Å; F196-M293 HydrophobicContact CD2-CE 3.64Å; F196-M293 HydrophobicContact CE2-CE 3.48Å; F196-M293 VanDerWaalsContact CE2-CE 3.48Å; F196-M293 HydrophobicContact CG-CE 4.27Å; F196-M293 HydrophobicContact CZ-CE 4Å; F196-N296 HydrophobicContact CD2-CB 3.93Å; F196-N296 HydrophobicContact CE2-CB 3.95Å; F196-A297 HydrophobicContact CE2-CB 4.06Å; F196-A297 HydrophobicContact CZ-CB 3.92Å; F196-L300 HydrophobicContact CB-CD1 3.85Å; F196-L300 HydrophobicContact CD1-CD1 4.47Å; F196-L300 HydrophobicContact CD2-CD1 3.8Å; F196-L300 HydrophobicContact CE2-CD1 4.49Å; F196-L300 HydrophobicContact CG-CD1 3.78Å; F196-Y316 AromaticContact CD1-CE1 3.97Å; F196-Y316 HydrophobicContact CD1-CE1 3.97Å; F196-Y316 HydrophobicContact CE1-CD1 4.47Å; F196-Y316 HydrophobicContact CE1-CE1 4.22Å; F196-Y316 HydrophobicContact CG-CE1 4.49Å; F196-Y319 AromaticContact CE1-CD2 3.79Å; F196-Y319 HydrophobicContact CE1-CD2 3.79Å; F196-Y319 HydrophobicContact CE1-CE2 4.26Å; F196-Y319 HydrophobicContact CZ-CD2 4.38Å
197D98.7Very high98.4Very high35 Ų3541.9 Ų41.919%0.18721%0.205CC..Hα-helixtrans-65.5-33.7175.3-92.918.6000112.8E193 K194 E195 L200 R201E193-D197 WeakPolarHBondContact O-CB 3.5Å; E193-D197 PolarHBondContact O-N 3.25Å; K194-D197 PolarHBondContact O-N 2.99Å; E195-D197 PolarHBondContact O-N 3Å; D197-L200 PolarHBondContact O-N 3.41Å; D197-R201 WeakPolarHBondContact O-CB 3.23Å; D197-R201 VanDerWaalsContact O-CG 3.25Å; D197-R201 WeakPolarHBondContact O-CG 3.31Å; D197-R201 PolarHBondContact O-N 2.82Å; D197-R201 IonicContact OD2-CZ 2.76Å; D197-R201 IonicContact OD2-NE 3.9Å; D197-R201 IonicContact OD2-NH2 3.87Å; D197-R201 PolarHBondContact OD2-NH2 3.2Å
198F98.6Very high98.3Very high18 Ų1838.3 Ų38.38%0.07919%0.19CC..Hα-helixtrans-58.3-48.2170.7160.9-95.2000111.1F150 K194 E195 L200 R201 N202 R203F150-F198 HydrophobicContact CB-CB 4.06Å; F150-F198 HydrophobicContact CB-CD1 3.54Å; F150-F198 HydrophobicContact CB-CD2 3.73Å; F150-F198 HydrophobicContact CB-CE1 3.82Å; F150-F198 HydrophobicContact CB-CE2 3.98Å; F150-F198 HydrophobicContact CB-CG 3.49Å; F150-F198 VanDerWaalsContact CB-CG 3.49Å; F150-F198 HydrophobicContact CB-CZ 4.02Å; F150-F198 AromaticContact CD1-CD2 3.93Å; F150-F198 HydrophobicContact CD1-CD2 3.93Å; F150-F198 AromaticContact CD1-CE2 3.7Å; F150-F198 HydrophobicContact CD1-CE2 3.7Å; F150-F198 HydrophobicContact CD1-CZ 4.17Å; F150-F198 HydrophobicContact CD2-CE1 4.17Å; F150-F198 HydrophobicContact CD2-CE2 4.29Å; F150-F198 AromaticContact CD2-CZ 3.92Å; F150-F198 HydrophobicContact CD2-CZ 3.92Å; F150-F198 HydrophobicContact CE1-CE2 4.28Å; F150-F198 HydrophobicContact CE2-CZ 4.46Å; F150-F198 HydrophobicContact CG-CD1 4.23Å; F150-F198 AromaticContact CG-CD2 3.95Å; F150-F198 HydrophobicContact CG-CD2 3.95Å; F150-F198 HydrophobicContact CG-CE1 4.04Å; F150-F198 AromaticContact CG-CE2 3.72Å; F150-F198 HydrophobicContact CG-CE2 3.72Å; F150-F198 HydrophobicContact CG-CG 4.19Å; F150-F198 AromaticContact CG-CZ 3.77Å; F150-F198 HydrophobicContact CG-CZ 3.77Å; K194-F198 PolarHBondContact O-N 2.84Å; E195-F198 WeakPolarHBondContact O-CB 3.31Å; E195-F198 PolarHBondContact O-N 3.14Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.1Å; F198-R201 PolarHBondContact O-N 2.91Å; F198-N202 HydrophobicContact CD2-CB 3.96Å; F198-N202 HydrophobicContact CE2-CB 3.82Å; F198-N202 HydrophobicContact CZ-CB 4.35Å; F198-N202 VanDerWaalsContact O-CB 3.28Å; F198-N202 WeakPolarHBondContact O-CB 3.21Å; F198-N202 PolarHBondContact O-N 3.42Å; F198-N202 PolarHBondContact O-OD1 3.36Å; F198-R203 HydrophobicContact CE1-CG 4.28Å; F198-R203 HydrophobicContact CZ-CG 4.5Å
199W98.7Very high98.1Very high1 Ų145.9 Ų45.90%0.00423%0.23CC..Hα-helixtrans-62.5-41.2178.2-71.696.7000112Q164 P166 E195 F196 R201 R203 S204 F214 Y216 L289 M293Q164-W199 VanDerWaalsContact O-CZ2 3.31Å; Q164-W199 WeakPolarHBondContact O-CZ2 3.5Å; P166-W199 HydrophobicContact CB-CZ2 3.9Å; P166-W199 HydrophobicContact CG-CD2 4.35Å; P166-W199 HydrophobicContact CG-CZ2 3.94Å; E195-W199 VanDerWaalsContact O-CD1 3.22Å; E195-W199 PolarHBondContact O-N 3.45Å; F196-W199 PolarHBondContact O-N 3.37Å; W199-R201 VanDerWaalsContact C-N 3.35Å; W199-R201 PolarHBondContact O-N 3.27Å; W199-R203 HydrophobicContact CD2-CB 4.47Å; W199-R203 HydrophobicContact CD2-CG 4.36Å; W199-R203 HydrophobicContact CE3-CB 3.54Å; W199-R203 HydrophobicContact CE3-CG 3.58Å; W199-R203 HydrophobicContact CZ3-CB 4.01Å; W199-R203 HydrophobicContact CZ3-CG 3.75Å; W199-R203 CarbonylContact O-C 3.58Å; W199-R203 WeakPolarHBondContact O-CA 3.24Å; W199-R203 PolarHBondContact O-N 3.35Å; W199-R203 VanDerWaalsContact O-N 3.09Å; W199-S204 PolarHBondContact O-N 3.27Å; W199-F214 HydrophobicContact CB-CD1 4.24Å; W199-F214 HydrophobicContact CB-CE1 4.16Å; W199-Y216 HydrophobicContact CH2-CD1 4.03Å; W199-Y216 AromaticContact CH2-CE1 3.77Å; W199-Y216 HydrophobicContact CH2-CE1 3.77Å; W199-Y216 HydrophobicContact CZ3-CD1 4.12Å; W199-Y216 HydrophobicContact CZ3-CE1 4.07Å; W199-L289 HydrophobicContact CE3-CD1 3.92Å; W199-L289 HydrophobicContact CE3-CD2 4.44Å; W199-L289 HydrophobicContact CH2-CD1 3.98Å; W199-L289 HydrophobicContact CZ3-CD1 3.54Å; W199-L289 HydrophobicContact CZ3-CD2 3.91Å; W199-L289 HydrophobicContact CZ3-CG 4.35Å; W199-M293 HydrophobicContact CB-CE 3.38Å; W199-M293 HydrophobicContact CB-SD 3.72Å; W199-M293 HydrophobicContact CD2-SD 4.03Å; W199-M293 HydrophobicContact CG-CE 3.93Å; W199-M293 HydrophobicContact CG-SD 3.62Å
200L98.4Very high97.9Very high21 Ų2149.5 Ų49.511%0.1125%0.249CC..Hα-helixtrans-61.3-39175.2-75.6176.1000113F196 D197 F198 S204 W211 Y212 F214 Y319F196-L200 HydrophobicContact CD1-CD1 3.72Å; F196-L200 HydrophobicContact CD1-CG 4.04Å; F196-L200 HydrophobicContact CE1-CD1 3.63Å; F196-L200 HydrophobicContact CE1-CD2 4.24Å; F196-L200 HydrophobicContact CE1-CG 3.86Å; F196-L200 PolarHBondContact O-N 2.93Å; F196-L200 VanDerWaalsContact O-N 3.08Å; D197-L200 PolarHBondContact O-N 3.41Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.1Å; L200-S204 WeakPolarHBondContact O-CB 3.37Å; L200-S204 PolarHBondContact O-OG 2.83Å; L200-W211 HydrophobicContact CD2-CH2 4.33Å; L200-W211 HydrophobicContact CD2-CZ2 3.96Å; L200-Y212 HydrophobicContact CD2-CD2 4.11Å; L200-F214 HydrophobicContact CD2-CE1 4.1Å; L200-F214 HydrophobicContact CD2-CZ 3.87Å; L200-Y319 HydrophobicContact CD1-CE2 4Å
201R97.9Very high97.8Very high185 Ų18546.6 Ų46.670%0.69823%0.228SC*.Hα-helixtrans-87.8-36-174.7-67.5172.5-164.6171.17.5113.1D197 F198 W199D197-R201 WeakPolarHBondContact O-CB 3.23Å; D197-R201 VanDerWaalsContact O-CG 3.25Å; D197-R201 WeakPolarHBondContact O-CG 3.31Å; D197-R201 PolarHBondContact O-N 2.82Å; D197-R201 IonicContact OD2-CZ 2.76Å; D197-R201 IonicContact OD2-NE 3.9Å; D197-R201 IonicContact OD2-NH2 3.87Å; D197-R201 PolarHBondContact OD2-NH2 3.2Å; F198-R201 PolarHBondContact O-N 2.91Å; W199-R201 VanDerWaalsContact C-N 3.35Å; W199-R201 PolarHBondContact O-N 3.27Å
202N98Very high97.8Very high75 Ų7550.2 Ų50.240%0.40124%0.241SC..Hα-helixtrans-110.6-17.9-165.9-64.766.1000113.8F198F198-N202 HydrophobicContact CD2-CB 3.96Å; F198-N202 HydrophobicContact CE2-CB 3.82Å; F198-N202 HydrophobicContact CZ-CB 4.35Å; F198-N202 VanDerWaalsContact O-CB 3.28Å; F198-N202 WeakPolarHBondContact O-CB 3.21Å; F198-N202 PolarHBondContact O-N 3.42Å; F198-N202 PolarHBondContact O-OD1 3.36Å
203R98Very high97.8Very high4 Ų450.2 Ų50.22%0.01524%0.241CC..THydrogen-bonded Turntrans-126.9-1.1-173.7-61-64.6-178.8-91.2-0.2114F198 W199 F214 R215 K217 D219 E256F198-R203 HydrophobicContact CE1-CG 4.28Å; F198-R203 HydrophobicContact CZ-CG 4.5Å; W199-R203 HydrophobicContact CD2-CB 4.47Å; W199-R203 HydrophobicContact CD2-CG 4.36Å; W199-R203 HydrophobicContact CE3-CB 3.54Å; W199-R203 HydrophobicContact CE3-CG 3.58Å; W199-R203 HydrophobicContact CZ3-CB 4.01Å; W199-R203 HydrophobicContact CZ3-CG 3.75Å; W199-R203 CarbonylContact O-C 3.58Å; W199-R203 WeakPolarHBondContact O-CA 3.24Å; W199-R203 PolarHBondContact O-N 3.35Å; W199-R203 VanDerWaalsContact O-N 3.09Å; R203-F214 WeakPolarHBondContact O-CA 3.23Å; R203-R215 WeakPolarHBondContact CD-O 3.31Å; R203-R215 PolarHBondContact O-N 2.93Å; R203-K217 PolarHBondContact NE-O 3.49Å; R203-K217 PolarHBondContact NH1-O 3.29Å; R203-K217 VanDerWaalsContact NH1-O 3.11Å; R203-K217 PolarHBondContact NH2-O 3.36Å; R203-D219 IonicContact NH1-OD2 3.85Å; R203-E256 IonicContact CZ-OE1 2.8Å; R203-E256 VanDerWaalsContact CZ-OE1 3.29Å; R203-E256 IonicContact CZ-OE2 2.74Å; R203-E256 IonicContact NE-OE1 3.98Å; R203-E256 PolarHBondContact NE-OE1 3.27Å; R203-E256 IonicContact NE-OE2 3.61Å; R203-E256 PolarHBondContact NE-OE2 2.81Å; R203-E256 VanDerWaalsContact NE-OE2 3.15Å; R203-E256 IonicContact NH2-OE1 2.66Å; R203-E256 PolarHBondContact NH2-OE1 3.13Å; R203-E256 IonicContact NH2-OE2 2.87Å
204S98.3Very high97.8Very high32 Ų3249.1 Ų49.122%0.22424%0.236CC..EExtended strand (participates in β ladder)trans-80.6154.717970.80000113.4W199 L200 S213W199-S204 PolarHBondContact O-N 3.27Å; L200-S204 WeakPolarHBondContact O-CB 3.37Å; L200-S204 PolarHBondContact O-OG 2.83Å; S204-S213 CarbonylContact C-O 3.52Å; S204-S213 VanDerWaalsContact CA-O 3.31Å; S204-S213 WeakPolarHBondContact CA-O 3.32Å
205I98.2Very high97.7Very high41 Ų4147.3 Ų47.321%0.2123%0.227CC..EExtended strand (participates in β ladder)trans-153148.7172.9-173168000109.6V207 S213 V285 L344I205-V207 HydrophobicContact CG2-CG2 4.12Å; I205-S213 PolarHBondContact N-O 2.73Å; I205-S213 PolarHBondContact O-N 3.01Å; I205-V285 HydrophobicContact CG2-CG2 4.43Å; I205-L344 HydrophobicContact CD1-CD1 4.1Å; I205-L344 HydrophobicContact CD1-CD2 4.5Å
206H97.2Very high97.7Very high115 Ų11547.4 Ų47.453%0.53223%0.227SC..EExtended strand (participates in β ladder)trans-87107.1168-71.2-77.1000110.2Y212H206-Y212 AromaticContact CD2-CE1 3.77Å; H206-Y212 AromaticContact CE1-CD1 3.76Å; H206-Y212 AromaticContact CE1-CE1 3.5Å; H206-Y212 AromaticContact NE2-CD1 3.7Å; H206-Y212 AromaticContact NE2-CE1 3.09Å; H206-Y212 WeakPolarHBondContact NE2-CE1 3.47Å; H206-Y212 AromaticContact NE2-CZ 3.79Å
207V97.5Very high97.7Very high34 Ų3450.2 Ų50.221%0.20624%0.239CC..EExtended strand (participates in β ladder)trans-87.7-32167.7-176.80000110.4I205 S213 V285 V330 Y342 L344I205-V207 HydrophobicContact CG2-CG2 4.12Å; V207-S213 WeakPolarHBondContact CG2-OG 3.43Å; V207-V285 HydrophobicContact CG2-CG2 3.97Å; V207-V330 HydrophobicContact CB-CG2 4.3Å; V207-V330 HydrophobicContact CG1-CG1 4.09Å; V207-V330 HydrophobicContact CG1-CG2 4.2Å; V207-Y342 HydrophobicContact CG1-CD1 3.89Å; V207-Y342 HydrophobicContact CG1-CE1 3.65Å; V207-L344 HydrophobicContact CG2-CD2 4.02Å
208V95.5Very high97.6Very high25 Ų2548.5 Ų48.515%0.15223%0.23CC..EExtended strand (participates in β ladder)trans-140.8155.9-176.3-57.40000110L210 V326 Y329 V330V208-L210 HydrophobicContact CG2-CB 4.02Å; V208-L210 HydrophobicContact CG2-CD1 4Å; V208-L210 HydrophobicContact CG2-CG 4.09Å; V208-L210 PolarHBondContact O-N 2.81Å; V208-V326 HydrophobicContact CG2-CG2 4.43Å; V208-Y329 HydrophobicContact CB-CD1 4.24Å; V208-Y329 HydrophobicContact CB-CE1 4.22Å; V208-Y329 HydrophobicContact CG1-CD1 3.54Å; V208-Y329 HydrophobicContact CG1-CE1 3.47Å; V208-Y329 VanDerWaalsContact CG1-CE1 3.47Å; V208-Y329 HydrophobicContact CG2-CD1 4.38Å; V208-V330 HydrophobicContact CG1-CG2 3.79Å; V208-V330 HydrophobicContact CG2-CG2 4.03Å
209D95.2Very high97.3Very high167 Ų16752 Ų5289%0.89325%0.249SC*.THydrogen-bonded Turntrans-81.462.6178.3-166.723.6000111.4
210L93.6Very high97.1Very high86 Ų8652.1 Ų52.145%0.4525%0.25SS..THydrogen-bonded Turntrans-133.1-58.7175.2-65.5173.4000110V208 V326 Y329V208-L210 HydrophobicContact CG2-CB 4.02Å; V208-L210 HydrophobicContact CG2-CD1 4Å; V208-L210 HydrophobicContact CG2-CG 4.09Å; V208-L210 PolarHBondContact O-N 2.81Å; L210-V326 HydrophobicContact CB-CG2 4.07Å; L210-Y329 HydrophobicContact CD1-CD2 4.45Å; L210-Y329 HydrophobicContact CD1-CG 4.28Å
211W97.1Very high97Very high22 Ų2258.5 Ų58.58%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-165.8-167.8178-164.248.7000109.5L200 F214 Y319 L322 A323 V326L200-W211 HydrophobicContact CD2-CH2 4.33Å; L200-W211 HydrophobicContact CD2-CZ2 3.96Å; W211-F214 HydrophobicContact CZ3-CE2 4.38Å; W211-Y319 HydrophobicContact CH2-CD2 4.47Å; W211-Y319 HydrophobicContact CH2-CG 4.04Å; W211-Y319 AromaticContact CZ2-CD1 3.76Å; W211-Y319 HydrophobicContact CZ2-CD1 3.76Å; W211-Y319 HydrophobicContact CZ2-CD2 4.07Å; W211-Y319 HydrophobicContact CZ2-CE1 4.32Å; W211-Y319 AromaticContact CZ2-CG 3.62Å; W211-Y319 HydrophobicContact CZ2-CG 3.62Å; W211-L322 HydrophobicContact CB-CB 3.89Å; W211-L322 HydrophobicContact CB-CD1 4.24Å; W211-L322 HydrophobicContact CB-CG 4.48Å; W211-L322 HydrophobicContact CD2-CB 3.75Å; W211-L322 HydrophobicContact CD2-CD1 4.18Å; W211-L322 HydrophobicContact CE3-CB 3.86Å; W211-L322 HydrophobicContact CG-CB 3.81Å; W211-L322 HydrophobicContact CG-CD1 3.8Å; W211-L322 HydrophobicContact CG-CG 4.39Å; W211-A323 HydrophobicContact CE3-CB 4.09Å; W211-A323 HydrophobicContact CZ3-CB 3.54Å; W211-V326 HydrophobicContact CB-CG2 3.83Å
212Y98.1Very high97Very high80 Ų8054.1 Ų54.131%0.31426%0.261SS..EExtended strand (participates in β ladder)trans-75.1140.6178.5-60-66.1000112.7L200 H206L200-Y212 HydrophobicContact CD2-CD2 4.11Å; H206-Y212 AromaticContact CD2-CE1 3.77Å; H206-Y212 AromaticContact CE1-CD1 3.76Å; H206-Y212 AromaticContact CE1-CE1 3.5Å; H206-Y212 AromaticContact NE2-CD1 3.7Å; H206-Y212 AromaticContact NE2-CE1 3.09Å; H206-Y212 WeakPolarHBondContact NE2-CE1 3.47Å; H206-Y212 AromaticContact NE2-CZ 3.79Å
213S98.7Very high97Very high0 Ų050.9 Ų50.90%025%0.245CC..EExtended strand (participates in β ladder)trans-98.6165.1150.9-53.60000109.3S204 I205 V207 N290 V326S204-S213 CarbonylContact C-O 3.52Å; S204-S213 VanDerWaalsContact CA-O 3.31Å; S204-S213 WeakPolarHBondContact CA-O 3.32Å; I205-S213 PolarHBondContact N-O 2.73Å; I205-S213 PolarHBondContact O-N 3.01Å; V207-S213 WeakPolarHBondContact CG2-OG 3.43Å; S213-N290 VanDerWaalsContact CA-OD1 3.24Å; S213-N290 WeakPolarHBondContact CA-OD1 3.36Å; S213-V326 WeakPolarHBondContact OG-CG1 3.45Å
214F98.8Very high97Very high3 Ų350.8 Ų50.81%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-121144.2-179.2-58.2-92000111W199 L200 R203 W211 V285 L289 N290 M293W199-F214 HydrophobicContact CB-CD1 4.24Å; W199-F214 HydrophobicContact CB-CE1 4.16Å; L200-F214 HydrophobicContact CD2-CE1 4.1Å; L200-F214 HydrophobicContact CD2-CZ 3.87Å; R203-F214 WeakPolarHBondContact O-CA 3.23Å; W211-F214 HydrophobicContact CZ3-CE2 4.38Å; F214-V285 WeakPolarHBondContact O-CG1 3.45Å; F214-L289 HydrophobicContact CB-CD2 3.76Å; F214-L289 HydrophobicContact CB-CG 3.9Å; F214-N290 PolarHBondContact N-OD1 3.21Å; F214-N290 PolarHBondContact O-ND2 3.33Å; F214-M293 HydrophobicContact CB-CG 4.3Å; F214-M293 HydrophobicContact CD1-CE 4.39Å; F214-M293 HydrophobicContact CD1-CG 4.07Å; F214-M293 HydrophobicContact CD2-CB 3.67Å; F214-M293 HydrophobicContact CD2-CG 3.68Å; F214-M293 HydrophobicContact CE1-CE 3.85Å; F214-M293 HydrophobicContact CE1-CG 4.3Å; F214-M293 HydrophobicContact CE2-CB 3.63Å; F214-M293 HydrophobicContact CE2-CE 4.47Å; F214-M293 HydrophobicContact CE2-CG 3.95Å; F214-M293 HydrophobicContact CG-CB 4.28Å; F214-M293 HydrophobicContact CG-CG 3.74Å; F214-M293 HydrophobicContact CZ-CB 4.18Å; F214-M293 HydrophobicContact CZ-CE 3.9Å; F214-M293 HydrophobicContact CZ-CG 4.25Å
215R98.4Very high96.9Very high47 Ų4752.2 Ų52.218%0.17725%0.253CS..  trans-136151.3172.463.2170.9176.7-172.9-6110.9R203 K217 W282R203-R215 WeakPolarHBondContact CD-O 3.31Å; R203-R215 PolarHBondContact O-N 2.93Å; R215-K217 HydrophobicContact CG-CB 4.44Å; R215-W282 WeakPolarHBondContact CD-O 3.28Å; R215-W282 PolarHBondContact NH1-O 3.09Å
216Y98.7Very high96.7Very high2 Ų252.6 Ų52.61%0.00825%0.254CS..  trans-71.4128.2168-60.3-68.8000109.7P165 W199 E256 T257 P286 L289P165-Y216 WeakPolarHBondContact CG-OH 3.47Å; W199-Y216 HydrophobicContact CH2-CD1 4.03Å; W199-Y216 AromaticContact CH2-CE1 3.77Å; W199-Y216 HydrophobicContact CH2-CE1 3.77Å; W199-Y216 HydrophobicContact CZ3-CD1 4.12Å; W199-Y216 HydrophobicContact CZ3-CE1 4.07Å; Y216-E256 WeakPolarHBondContact CA-OE2 3.1Å; Y216-E256 HydrophobicContact CD1-CB 4.22Å; Y216-E256 HydrophobicContact CD1-CG 3.8Å; Y216-E256 WeakPolarHBondContact CD1-O 3.25Å; Y216-E256 WeakPolarHBondContact CE1-O 3.24Å; Y216-T257 HydrophobicContact CD2-CG2 3.31Å; Y216-T257 HydrophobicContact CE2-CG2 3.98Å; Y216-T257 HydrophobicContact CG-CG2 3.68Å; Y216-P286 HydrophobicContact CD2-CG 3.73Å; Y216-P286 HydrophobicContact CE2-CG 3.7Å; Y216-L289 HydrophobicContact CD1-CD2 4.05Å; Y216-L289 HydrophobicContact CD2-CD2 4.14Å; Y216-L289 HydrophobicContact CE1-CD1 3.91Å; Y216-L289 HydrophobicContact CE1-CD2 3.92Å; Y216-L289 HydrophobicContact CE1-CG 4.34Å; Y216-L289 HydrophobicContact CE2-CB 3.9Å; Y216-L289 HydrophobicContact CE2-CD2 4.01Å; Y216-L289 HydrophobicContact CE2-CG 4.4Å; Y216-L289 HydrophobicContact CG-CD2 4.17Å
217K98Very high96.7Very high61 Ų6147.3 Ų47.327%0.26523%0.23SC..  trans-157.871.7-171.3-163.4-161.3177.9-156.90110.6R203 R215 E256 W282R203-K217 PolarHBondContact NE-O 3.49Å; R203-K217 PolarHBondContact NH1-O 3.29Å; R203-K217 VanDerWaalsContact NH1-O 3.11Å; R203-K217 PolarHBondContact NH2-O 3.36Å; R215-K217 HydrophobicContact CG-CB 4.44Å; K217-E256 PolarHBondContact N-OE2 3.16Å; K217-W282 HydrophobicContact CG-CD2 3.93Å; K217-W282 HydrophobicContact CG-CG 4.03Å; K217-W282 HydrophobicContact CG-CZ2 4.03Å
218S96.9Very high96.6Very high0 Ų052.1 Ų52.10%025%0.245CC..  trans-55.2141.5171.4176.70000111.2F161 M220 S253 E256 W282F161-S218 PolarHBondContact O-OG 3.35Å; S218-M220 VanDerWaalsContact C-N 3.27Å; S218-M220 WeakPolarHBondContact OG-CB 3.21Å; S218-M220 PolarHBondContact OG-N 3.36Å; S218-S253 WeakPolarHBondContact CB-OG 3.33Å; S218-S253 PolarHBondContact N-OG 2.82Å; S218-E256 PolarHBondContact N-OE2 3.28Å; S218-W282 WeakPolarHBondContact O-CZ2 3.38Å
219D92.1Very high96.7Very high90 Ų9057.7 Ų57.748%0.48126%0.263SS..  trans-86.2-0.3178.4-66.8-54.8000112.9F161 R203F161-D219 PolarHBondContact O-N 3.39Å; R203-D219 IonicContact NH1-OD2 3.85Å
220M95.6Very high96.7Very high4 Ų452.2 Ų52.22%0.0223%0.232CC..  trans-69.5128.7-178.9-170.3165.9-162.600112.3F161 S218 M222 P223 R224 P225 A249 A252F161-M220 HydrophobicContact CB-CB 3.9Å; F161-M220 HydrophobicContact CG-CB 4.23Å; S218-M220 VanDerWaalsContact C-N 3.27Å; S218-M220 WeakPolarHBondContact OG-CB 3.21Å; S218-M220 PolarHBondContact OG-N 3.36Å; M220-M222 HydrophobicContact CE-CG 3.62Å; M220-M222 HydrophobicContact CE-SD 4.42Å; M220-M222 HydrophobicContact CG-CG 4.02Å; M220-P223 WeakPolarHBondContact CE-O 3.42Å; M220-R224 HydrophobicContact SD-CG 4.32Å; M220-P225 HydrophobicContact CE-CG 4.37Å; M220-A249 WeakPolarHBondContact O-CA 3.37Å; M220-A249 WeakPolarHBondContact O-CB 3.29Å; M220-A252 HydrophobicContact CB-CB 3.77Å; M220-A252 HydrophobicContact CG-CB 4.2Å; M220-A252 HydrophobicContact SD-CB 4.01Å
221R96.1Very high96.8Very high155 Ų15548.2 Ų48.259%0.58521%0.212SC*.  trans-124.329.9179.2-63.1-171.5-177.4-157.13112.9E245R221-E245 HydrophobicContact CB-CB 4.18Å; R221-E245 HydrophobicContact CB-CG 4.43Å; R221-E245 WeakPolarHBondContact O-CG 3.49Å
222M96.9Very high96.8Very high93 Ų9350.3 Ų50.346%0.45822%0.223SC..SBendtrans-140.8160.4-178.862.7-175.9-75.200108.7M220 R224M220-M222 HydrophobicContact CE-CG 3.62Å; M220-M222 HydrophobicContact CE-SD 4.42Å; M220-M222 HydrophobicContact CG-CG 4.02Å; M222-R224 PolarHBondContact O-N 3.13Å
223P97.7Very high96.7Very high8 Ų851.2 Ų51.25%0.05223%0.231CC..  trans-53.3138.8173.8-19.128000110.6M220 P225 Y228 D231 I232 W248M220-P223 WeakPolarHBondContact CE-O 3.42Å; P223-P225 WeakPolarHBondContact O-CD 3.4Å; P223-Y228 HydrophobicContact CB-CD2 3.69Å; P223-Y228 HydrophobicContact CB-CE2 3.93Å; P223-Y228 HydrophobicContact CB-CG 4.33Å; P223-Y228 HydrophobicContact CG-CD2 4.21Å; P223-Y228 HydrophobicContact CG-CE2 3.92Å; P223-D231 HydrophobicContact CB-CB 3.72Å; P223-I232 HydrophobicContact CB-CD1 4.4Å; P223-I232 HydrophobicContact CB-CG1 4.25Å; P223-I232 HydrophobicContact CG-CD1 3.49Å; P223-I232 VanDerWaalsContact CG-CD1 3.49Å; P223-I232 HydrophobicContact CG-CG1 3.86Å; P223-W248 HydrophobicContact CG-CD2 4.11Å; P223-W248 HydrophobicContact CG-CH2 4.24Å; P223-W248 HydrophobicContact CG-CZ2 3.67Å
224R97.8Very high96.5Very high2 Ų253.3 Ų53.31%0.00824%0.241CC..  trans-59.3121.8173.9-72176.9-59.6147.61110M220 M222 E226 S227 Y228 D231 E472M220-R224 HydrophobicContact SD-CG 4.32Å; M222-R224 PolarHBondContact O-N 3.13Å; R224-E226 WeakPolarHBondContact CD-OE1 3.4Å; R224-E226 PolarHBondContact O-N 3.29Å; R224-S227 PolarHBondContact NH1-OG 2.94Å; R224-S227 VanDerWaalsContact NH2-CB 3.35Å; R224-S227 CarbonylContact O-C 3.4Å; R224-S227 PolarHBondContact O-N 2.92Å; R224-Y228 WeakPolarHBondContact O-CA 3.31Å; R224-Y228 PolarHBondContact O-N 3.06Å; R224-D231 VanDerWaalsContact CB-OD2 3.25Å; R224-D231 WeakPolarHBondContact CB-OD2 3.42Å; R224-D231 VanDerWaalsContact CG-OD2 3.24Å; R224-D231 WeakPolarHBondContact CG-OD2 3.35Å; R224-D231 IonicContact CZ-OD1 2.79Å; R224-D231 IonicContact CZ-OD2 3.19Å; R224-D231 PolarHBondContact N-OD2 2.97Å; R224-D231 IonicContact NE-OD1 3.9Å; R224-D231 PolarHBondContact NE-OD1 2.69Å; R224-D231 IonicContact NE-OD2 3.08Å; R224-D231 PolarHBondContact NE-OD2 2.9Å; R224-D231 IonicContact NH2-OD1 3.21Å; R224-D231 PolarHBondContact NH2-OD1 2.97Å; R224-E472 IonicContact CZ-OE1 2.9Å; R224-E472 IonicContact CZ-OE2 3.03Å; R224-E472 IonicContact NH1-OE1 3.63Å; R224-E472 PolarHBondContact NH1-OE1 3.24Å; R224-E472 VanDerWaalsContact NH1-OE1 3.08Å; R224-E472 IonicContact NH1-OE2 3.15Å; R224-E472 IonicContact NH2-OE1 2.69Å; R224-E472 IonicContact NH2-OE2 2.98Å; R224-E472 PolarHBondContact NH2-OE2 3.2Å
225P96.3Very high96.3Very high62 Ų6253.3 Ų53.340%0.40324%0.241SC..G310 helixtrans-55.6-32.9178.3-31.837.4000114.2Y158 M220 P223 S227Y158-P225 HydrophobicContact CD1-CB 4.3Å; Y158-P225 HydrophobicContact CG-CB 4.23Å; Y158-P225 HydrophobicContact CG-CG 4.42Å; M220-P225 HydrophobicContact CE-CG 4.37Å; P223-P225 WeakPolarHBondContact O-CD 3.4Å; P225-S227 VanDerWaalsContact C-N 3.31Å
226E94.9Very high96.2Very high49 Ų4958.2 Ų58.223%0.22927%0.266CS..G310 helixtrans-76.4-16.4179.377.3-75.4-177.700114.4Y158 R162 R224Y158-E226 HydrophobicContact CD2-CB 4.42Å; Y158-E226 WeakPolarHBondContact CD2-OE2 3.17Å; Y158-E226 HydrophobicContact CE2-CB 3.87Å; Y158-E226 HydrophobicContact CE2-CG 4.33Å; R162-E226 IonicContact CZ-OE1 2.87Å; R162-E226 IonicContact NH2-OE1 2.82Å; R162-E226 PolarHBondContact NH2-OE1 2.82Å; R162-E226 IonicContact NH2-OE2 3.71Å; R162-E226 PolarHBondContact NH2-OE2 2.82Å; R224-E226 WeakPolarHBondContact CD-OE1 3.4Å; R224-E226 PolarHBondContact O-N 3.29Å
227S96.1Very high95.9Very high4 Ų463.8 Ų63.83%0.02829%0.292CS..G310 helixtrans-138.542.1179.4-49.60000110.3R224 P225 R229 E230 D231 E472R224-S227 PolarHBondContact NH1-OG 2.94Å; R224-S227 VanDerWaalsContact NH2-CB 3.35Å; R224-S227 CarbonylContact O-C 3.4Å; R224-S227 PolarHBondContact O-N 2.92Å; P225-S227 VanDerWaalsContact C-N 3.31Å; S227-R229 PolarHBondContact O-N 3.41Å; S227-E230 VanDerWaalsContact CA-OE2 3.31Å; S227-E230 WeakPolarHBondContact CA-OE2 3.41Å; S227-E230 PolarHBondContact O-N 3.11Å; S227-D231 WeakPolarHBondContact O-CB 3.49Å; S227-D231 PolarHBondContact O-N 3.49Å; S227-E472 PolarHBondContact OG-OE1 3.49Å
228Y96.8Very high95.7Very high134 Ų13462 Ų6253%0.52529%0.285SS..Hα-helixtrans-63.4-42.8-167.2-178-88.3000111.8P223 R224 I232P223-Y228 HydrophobicContact CB-CD2 3.69Å; P223-Y228 HydrophobicContact CB-CE2 3.93Å; P223-Y228 HydrophobicContact CB-CG 4.33Å; P223-Y228 HydrophobicContact CG-CD2 4.21Å; P223-Y228 HydrophobicContact CG-CE2 3.92Å; R224-Y228 WeakPolarHBondContact O-CA 3.31Å; R224-Y228 PolarHBondContact O-N 3.06Å; Y228-I232 HydrophobicContact CD1-CG1 4.03Å; Y228-I232 HydrophobicContact CE1-CD1 4.33Å; Y228-I232 HydrophobicContact CE1-CG1 3.67Å; Y228-I232 WeakPolarHBondContact O-CB 3.36Å; Y228-I232 VanDerWaalsContact O-CG1 3.24Å; Y228-I232 WeakPolarHBondContact O-CG1 3.34Å; Y228-I232 PolarHBondContact O-N 3.44Å
229R96.2Very high95.6Very high143 Ų14367.8 Ų67.854%0.5433%0.326SS..Hα-helixtrans-63.8-49.6-179.6-179.1-175.366.3861.5110.4S227 D231 I232 E233S227-R229 PolarHBondContact O-N 3.41Å; R229-D231 VanDerWaalsContact C-N 3.33Å; R229-D231 PolarHBondContact O-N 3.34Å; R229-I232 PolarHBondContact O-N 3.34Å; R229-E233 HydrophobicContact CG-CG 4.44Å; R229-E233 VanDerWaalsContact CG-OE1 3.23Å; R229-E233 WeakPolarHBondContact CG-OE1 3.3Å; R229-E233 IonicContact CZ-OE1 3.79Å; R229-E233 IonicContact NH1-OE1 2.83Å; R229-E233 PolarHBondContact NH1-OE1 3.48Å; R229-E233 IonicContact NH1-OE2 3.18Å; R229-E233 PolarHBondContact NH1-OE2 3.36Å; R229-E233 WeakPolarHBondContact O-CB 3.36Å; R229-E233 WeakPolarHBondContact O-CG 3.46Å; R229-E233 PolarHBondContact O-N 2.9Å
230E95.7Very high95.9Very high51 Ų5165.8 Ų65.824%0.23832%0.318CS..Hα-helixtrans-58.6-45.1-179.4-64.771.5-158.500111S227 M234S227-E230 VanDerWaalsContact CA-OE2 3.31Å; S227-E230 WeakPolarHBondContact CA-OE2 3.41Å; S227-E230 PolarHBondContact O-N 3.11Å; E230-M234 WeakPolarHBondContact O-CB 3.46Å; E230-M234 PolarHBondContact O-N 3.38Å
231D97Very high95.9Very high3 Ų370.2 Ų70.22%0.01634%0.339CS..Hα-helixtrans-70.9-30.9-179.8-78.812.3000113.1P223 R224 S227 R229 W248P223-D231 HydrophobicContact CB-CB 3.72Å; R224-D231 VanDerWaalsContact CB-OD2 3.25Å; R224-D231 WeakPolarHBondContact CB-OD2 3.42Å; R224-D231 VanDerWaalsContact CG-OD2 3.24Å; R224-D231 WeakPolarHBondContact CG-OD2 3.35Å; R224-D231 IonicContact CZ-OD1 2.79Å; R224-D231 IonicContact CZ-OD2 3.19Å; R224-D231 PolarHBondContact N-OD2 2.97Å; R224-D231 IonicContact NE-OD1 3.9Å; R224-D231 PolarHBondContact NE-OD1 2.69Å; R224-D231 IonicContact NE-OD2 3.08Å; R224-D231 PolarHBondContact NE-OD2 2.9Å; R224-D231 IonicContact NH2-OD1 3.21Å; R224-D231 PolarHBondContact NH2-OD1 2.97Å; S227-D231 WeakPolarHBondContact O-CB 3.49Å; S227-D231 PolarHBondContact O-N 3.49Å; R229-D231 VanDerWaalsContact C-N 3.33Å; R229-D231 PolarHBondContact O-N 3.34Å; D231-W248 PolarHBondContact O-NE1 2.88Å
232I96.8Very high96Very high65 Ų6566 Ų6633%0.33334%0.337SS..Hα-helixtrans-71-49.7173-73-70.3000110.6P223 Y228 R229 M234 V235 E236 W248P223-I232 HydrophobicContact CB-CD1 4.4Å; P223-I232 HydrophobicContact CB-CG1 4.25Å; P223-I232 HydrophobicContact CG-CD1 3.49Å; P223-I232 VanDerWaalsContact CG-CD1 3.49Å; P223-I232 HydrophobicContact CG-CG1 3.86Å; Y228-I232 HydrophobicContact CD1-CG1 4.03Å; Y228-I232 HydrophobicContact CE1-CD1 4.33Å; Y228-I232 HydrophobicContact CE1-CG1 3.67Å; Y228-I232 WeakPolarHBondContact O-CB 3.36Å; Y228-I232 VanDerWaalsContact O-CG1 3.24Å; Y228-I232 WeakPolarHBondContact O-CG1 3.34Å; Y228-I232 PolarHBondContact O-N 3.44Å; R229-I232 PolarHBondContact O-N 3.34Å; I232-M234 PolarHBondContact O-N 2.89Å; I232-V235 WeakPolarHBondContact O-CG2 3.09Å; I232-V235 PolarHBondContact O-N 2.79Å; I232-V235 VanDerWaalsContact O-N 3.12Å; I232-E236 PolarHBondContact O-N 3.28Å; I232-W248 HydrophobicContact CD1-CZ2 4.03Å
233E96Very high95.9Very high99 Ų9968.1 Ų68.146%0.46334%0.344SS..Hα-helixtrans-57.6-38.3177.4-72.8173-172.500110.9R229 V235 E236R229-E233 HydrophobicContact CG-CG 4.44Å; R229-E233 VanDerWaalsContact CG-OE1 3.23Å; R229-E233 WeakPolarHBondContact CG-OE1 3.3Å; R229-E233 IonicContact CZ-OE1 3.79Å; R229-E233 IonicContact NH1-OE1 2.83Å; R229-E233 PolarHBondContact NH1-OE1 3.48Å; R229-E233 IonicContact NH1-OE2 3.18Å; R229-E233 PolarHBondContact NH1-OE2 3.36Å; R229-E233 WeakPolarHBondContact O-CB 3.36Å; R229-E233 WeakPolarHBondContact O-CG 3.46Å; R229-E233 PolarHBondContact O-N 2.9Å; E233-V235 PolarHBondContact O-N 3.15Å; E233-E236 PolarHBondContact O-N 3.4Å
234M93.4Very high95.9Very high45 Ų4571.3 Ų71.322%0.22236%0.355CS..Hα-helixtrans-58.7-32.2178.9-169.359.259.800113.3E230 I232 H237 I251 M276 K277E230-M234 WeakPolarHBondContact O-CB 3.46Å; E230-M234 PolarHBondContact O-N 3.38Å; I232-M234 PolarHBondContact O-N 2.89Å; M234-H237 PolarHBondContact O-CE1 2.89Å; M234-H237 PolarHBondContact O-ND1 3.36Å; M234-I251 HydrophobicContact CB-CD1 4.41Å; M234-I251 HydrophobicContact CG-CD1 3.99Å; M234-M276 HydrophobicContact CE-CB 4.15Å; M234-M276 HydrophobicContact CE-CG 3.55Å; M234-M276 HydrophobicContact SD-CG 4.11Å; M234-K277 HydrophobicContact SD-CG 3.8Å
235V95.7Very high95.9Very high2 Ų274 Ų741%0.01237%0.367CS..Hα-helixtrans-110.36.1-174.6-54.90000114I232 E233 H237 I238 R244 T247 W248I232-V235 WeakPolarHBondContact O-CG2 3.09Å; I232-V235 PolarHBondContact O-N 2.79Å; I232-V235 VanDerWaalsContact O-N 3.12Å; E233-V235 PolarHBondContact O-N 3.15Å; V235-H237 PolarHBondContact O-N 2.95Å; V235-I238 HydrophobicContact CB-CD1 4.13Å; V235-I238 HydrophobicContact CG1-CD1 4.2Å; V235-I238 WeakPolarHBondContact O-CB 3.22Å; V235-I238 PolarHBondContact O-N 3.44Å; V235-R244 HydrophobicContact CB-CB 4.36Å; V235-R244 HydrophobicContact CB-CG 4.02Å; V235-R244 HydrophobicContact CG2-CB 4.2Å; V235-R244 HydrophobicContact CG2-CG 3.96Å; V235-T247 HydrophobicContact CG1-CG2 3.68Å; V235-W248 HydrophobicContact CG2-CZ2 3.5Å; V235-W248 VanDerWaalsContact CG2-CZ2 3.5Å
236E95Very high95.9Very high150 Ų15076.6 Ų76.670%0.70137%0.369SS*.THydrogen-bonded Turntrans-55.2-41.3-176.8-170.9178.1-162.600112.1I232 E233 I238I232-E236 PolarHBondContact O-N 3.28Å; E233-E236 PolarHBondContact O-N 3.4Å; E236-I238 PolarHBondContact O-N 3.42Å
237H92.7Very high96Very high119 Ų11975 Ų7555%0.55136%0.363SS*.THydrogen-bonded Turntrans-70.2-9177.470.1-77.9000114.9M234 V235M234-H237 PolarHBondContact O-CE1 2.89Å; M234-H237 PolarHBondContact O-ND1 3.36Å; V235-H237 PolarHBondContact O-N 2.95Å
238I94.9Very high96.1Very high25 Ų2575.6 Ų75.613%0.12836%0.364CS..  trans-96119.2-179.3-57179.1000108.1V235 E236 K243 R244V235-I238 HydrophobicContact CB-CD1 4.13Å; V235-I238 HydrophobicContact CG1-CD1 4.2Å; V235-I238 WeakPolarHBondContact O-CB 3.22Å; V235-I238 PolarHBondContact O-N 3.44Å; E236-I238 PolarHBondContact O-N 3.42Å; I238-K243 HydrophobicContact CG2-CB 3.46Å; I238-K243 VanDerWaalsContact CG2-CB 3.46Å; I238-K243 HydrophobicContact CG2-CD 4.4Å; I238-R244 HydrophobicContact CB-CG 4.1Å; I238-R244 HydrophobicContact CG2-CG 3.95Å; I238-R244 PolarHBondContact O-NE 3.11Å; I238-R244 PolarHBondContact O-NH2 3.44Å
239S94.5Very high96.2Very high121 Ų12169.2 Ų69.285%0.84634%0.339SS*.  trans-83.8-27.2179.555.80000114.2
240S96.9Very high96.3Very high47 Ų4762.4 Ų62.433%0.32931%0.314SS..  trans-82.5119.5-177.2172.20000111.3A242 K243 R244S240-A242 VanDerWaalsContact C-N 3.3Å; S240-A242 PolarHBondContact O-N 2.99Å; S240-K243 PolarHBondContact O-N 2.91Å; S240-K243 PolarHBondContact OG-N 3.42Å; S240-R244 WeakPolarHBondContact O-CG 3.39Å; S240-R244 PolarHBondContact O-N 2.76Å
241Q96.7Very high96.4Very high98 Ų9860 Ų6046%0.45830%0.302SS..Hα-helixtrans-54.1-44.7175.3-178.559.822.600112.2K243 R244 E245Q241-K243 VanDerWaalsContact C-N 3.27Å; Q241-K243 PolarHBondContact O-N 3.29Å; Q241-R244 WeakPolarHBondContact O-CB 3.3Å; Q241-R244 PolarHBondContact O-N 2.96Å; Q241-E245 HydrophobicContact CG-CG 4.45Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.38Å; Q241-E245 PolarHBondContact NE2-OE1 3.27Å; Q241-E245 WeakPolarHBondContact O-CG 3.45Å; Q241-E245 PolarHBondContact O-N 3.24Å
242A97.3Very high96.5Very high65 Ų6559.8 Ų59.854%0.53730%0.302SS..Hα-helixtrans-60-36.5177.500000112.9S240 W246S240-A242 VanDerWaalsContact C-N 3.3Å; S240-A242 PolarHBondContact O-N 2.99Å; A242-W246 WeakPolarHBondContact O-CB 3.3Å; A242-W246 PolarHBondContact O-N 3.45Å
243K96.3Very high96.5Very high138 Ų13856.7 Ų56.760%0.629%0.286SS*.Hα-helixtrans-71.9-36.2174.3-69.9-175.4-179.8-179.90112I238 S240 Q241 W246 T247I238-K243 HydrophobicContact CG2-CB 3.46Å; I238-K243 VanDerWaalsContact CG2-CB 3.46Å; I238-K243 HydrophobicContact CG2-CD 4.4Å; S240-K243 PolarHBondContact O-N 2.91Å; S240-K243 PolarHBondContact OG-N 3.42Å; Q241-K243 VanDerWaalsContact C-N 3.27Å; Q241-K243 PolarHBondContact O-N 3.29Å; K243-W246 PolarHBondContact O-N 3.12Å; K243-T247 PolarHBondContact O-N 3.25Å; K243-T247 PolarHBondContact O-OG1 3.24Å
244R97.4Very high96.7Very high75 Ų7552 Ų5228%0.28326%0.264SS..Hα-helixtrans-61.2-50.6173.6-64.2-175.6173.3-179.7-4.7110.9V235 I238 S240 Q241 W246 T247 W248V235-R244 HydrophobicContact CB-CB 4.36Å; V235-R244 HydrophobicContact CB-CG 4.02Å; V235-R244 HydrophobicContact CG2-CB 4.2Å; V235-R244 HydrophobicContact CG2-CG 3.96Å; I238-R244 HydrophobicContact CB-CG 4.1Å; I238-R244 HydrophobicContact CG2-CG 3.95Å; I238-R244 PolarHBondContact O-NE 3.11Å; I238-R244 PolarHBondContact O-NH2 3.44Å; S240-R244 WeakPolarHBondContact O-CG 3.39Å; S240-R244 PolarHBondContact O-N 2.76Å; Q241-R244 WeakPolarHBondContact O-CB 3.3Å; Q241-R244 PolarHBondContact O-N 2.96Å; R244-W246 VanDerWaalsContact C-N 3.3Å; R244-W246 PolarHBondContact O-N 2.98Å; R244-T247 PolarHBondContact O-N 2.81Å; R244-T247 VanDerWaalsContact O-N 3.1Å; R244-W248 HydrophobicContact CB-CE3 4.29Å; R244-W248 HydrophobicContact CB-CH2 3.79Å; R244-W248 HydrophobicContact CB-CZ2 4.02Å; R244-W248 HydrophobicContact CB-CZ3 3.93Å; R244-W248 PolarHBondContact O-N 3.5Å
245E97.7Very high96.9Very high58 Ų5849.9 Ų49.927%0.27125%0.254SS..Hα-helixtrans-57.7-42.8176.3-70.4178-169.200112.4R221 Q241 W248 A249R221-E245 HydrophobicContact CB-CB 4.18Å; R221-E245 HydrophobicContact CB-CG 4.43Å; R221-E245 WeakPolarHBondContact O-CG 3.49Å; Q241-E245 HydrophobicContact CG-CG 4.45Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.38Å; Q241-E245 PolarHBondContact NE2-OE1 3.27Å; Q241-E245 WeakPolarHBondContact O-CG 3.45Å; Q241-E245 PolarHBondContact O-N 3.24Å; E245-W248 HydrophobicContact CG-CE3 4.22Å; E245-W248 HydrophobicContact CG-CZ3 4.12Å; E245-W248 PolarHBondContact O-N 2.82Å; E245-A249 WeakPolarHBondContact O-CB 3.18Å; E245-A249 PolarHBondContact O-N 3.47Å
246W96.8Very high97Very high118 Ų11849.8 Ų49.845%0.44725%0.253SS..Hα-helixtrans-60.7-46.3174.7-176.590.8000111.6A242 K243 R244 A249 Q250 R280A242-W246 WeakPolarHBondContact O-CB 3.3Å; A242-W246 PolarHBondContact O-N 3.45Å; K243-W246 PolarHBondContact O-N 3.12Å; R244-W246 VanDerWaalsContact C-N 3.3Å; R244-W246 PolarHBondContact O-N 2.98Å; W246-A249 WeakPolarHBondContact O-CB 3.37Å; W246-A249 PolarHBondContact O-N 3.39Å; W246-Q250 HydrophobicContact CD2-CG 4.02Å; W246-Q250 HydrophobicContact CE3-CG 3.8Å; W246-Q250 HydrophobicContact CH2-CG 3.53Å; W246-Q250 HydrophobicContact CZ2-CG 3.77Å; W246-Q250 HydrophobicContact CZ3-CG 3.54Å; W246-Q250 WeakPolarHBondContact O-CG 3.23Å; W246-Q250 PolarHBondContact O-N 3.22Å; W246-Q250 VanDerWaalsContact O-N 3.09Å; W246-R280 HydrophobicContact CH2-CB 4.29Å
247T96.9Very high97.2Very high15 Ų1542.7 Ų42.79%0.09222%0.22CC..Hα-helixtrans-63.2-46.7178.6-60.30000111.5V235 K243 R244 A249 Q250 I251V235-T247 HydrophobicContact CG1-CG2 3.68Å; K243-T247 PolarHBondContact O-N 3.25Å; K243-T247 PolarHBondContact O-OG1 3.24Å; R244-T247 PolarHBondContact O-N 2.81Å; R244-T247 VanDerWaalsContact O-N 3.1Å; T247-A249 PolarHBondContact O-N 3.27Å; T247-Q250 WeakPolarHBondContact O-CB 3.46Å; T247-Q250 PolarHBondContact O-N 2.87Å; T247-I251 HydrophobicContact CG2-CD1 3.95Å; T247-I251 HydrophobicContact CG2-CG1 4.38Å; T247-I251 WeakPolarHBondContact O-CG1 3.3Å; T247-I251 PolarHBondContact O-N 3.17Å
248W98Very high97.4Very high16 Ų1637 Ų376%0.06119%0.194CC..Hα-helixtrans-58.3-37.9176-64.3-41.2000112.2P223 D231 I232 V235 R244 E245 Q250 I251 A252P223-W248 HydrophobicContact CG-CD2 4.11Å; P223-W248 HydrophobicContact CG-CH2 4.24Å; P223-W248 HydrophobicContact CG-CZ2 3.67Å; D231-W248 PolarHBondContact O-NE1 2.88Å; I232-W248 HydrophobicContact CD1-CZ2 4.03Å; V235-W248 HydrophobicContact CG2-CZ2 3.5Å; V235-W248 VanDerWaalsContact CG2-CZ2 3.5Å; R244-W248 HydrophobicContact CB-CE3 4.29Å; R244-W248 HydrophobicContact CB-CH2 3.79Å; R244-W248 HydrophobicContact CB-CZ2 4.02Å; R244-W248 HydrophobicContact CB-CZ3 3.93Å; R244-W248 PolarHBondContact O-N 3.5Å; E245-W248 HydrophobicContact CG-CE3 4.22Å; E245-W248 HydrophobicContact CG-CZ3 4.12Å; E245-W248 PolarHBondContact O-N 2.82Å; W248-Q250 PolarHBondContact O-N 3.44Å; W248-I251 PolarHBondContact O-N 2.89Å; W248-A252 WeakPolarHBondContact O-CB 3.35Å; W248-A252 PolarHBondContact O-N 2.94Å
249A98Very high97.6Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-65.7-37175.100000113.2M220 E245 W246 T247 S253 W282M220-A249 WeakPolarHBondContact O-CA 3.37Å; M220-A249 WeakPolarHBondContact O-CB 3.29Å; E245-A249 WeakPolarHBondContact O-CB 3.18Å; E245-A249 PolarHBondContact O-N 3.47Å; W246-A249 WeakPolarHBondContact O-CB 3.37Å; W246-A249 PolarHBondContact O-N 3.39Å; T247-A249 PolarHBondContact O-N 3.27Å; A249-S253 VanDerWaalsContact O-CB 3.31Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.01Å; A249-S253 PolarHBondContact O-OG 3.45Å; A249-W282 HydrophobicContact CB-CH2 3.87Å; A249-W282 HydrophobicContact CB-CZ2 3.52Å
250Q98.3Very high97.7Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-64.2-43.1172.6-58.4-46.1-56.400111.6W246 T247 W248 S253 G254 I279 T281 W282W246-Q250 HydrophobicContact CD2-CG 4.02Å; W246-Q250 HydrophobicContact CE3-CG 3.8Å; W246-Q250 HydrophobicContact CH2-CG 3.53Å; W246-Q250 HydrophobicContact CZ2-CG 3.77Å; W246-Q250 HydrophobicContact CZ3-CG 3.54Å; W246-Q250 WeakPolarHBondContact O-CG 3.23Å; W246-Q250 PolarHBondContact O-N 3.22Å; W246-Q250 VanDerWaalsContact O-N 3.09Å; T247-Q250 WeakPolarHBondContact O-CB 3.46Å; T247-Q250 PolarHBondContact O-N 2.87Å; W248-Q250 PolarHBondContact O-N 3.44Å; Q250-S253 PolarHBondContact O-N 3.13Å; Q250-G254 PolarHBondContact O-N 2.99Å; Q250-I279 HydrophobicContact CB-CG1 4.23Å; Q250-I279 HydrophobicContact CB-CG2 3.92Å; Q250-T281 PolarHBondContact O-OG1 2.9Å; Q250-W282 VanDerWaalsContact NE2-CD2 3.27Å
251I98Very high97.7Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-63.2-52.2178.8-63.6173000110.7M234 T247 W248 S253 G254 A255 F261 M276 I279M234-I251 HydrophobicContact CB-CD1 4.41Å; M234-I251 HydrophobicContact CG-CD1 3.99Å; T247-I251 HydrophobicContact CG2-CD1 3.95Å; T247-I251 HydrophobicContact CG2-CG1 4.38Å; T247-I251 WeakPolarHBondContact O-CG1 3.3Å; T247-I251 PolarHBondContact O-N 3.17Å; W248-I251 PolarHBondContact O-N 2.89Å; I251-S253 PolarHBondContact O-N 3.36Å; I251-G254 WeakPolarHBondContact O-CA 2.98Å; I251-G254 PolarHBondContact O-N 3.42Å; I251-A255 PolarHBondContact O-N 3.12Å; I251-A255 VanDerWaalsContact O-N 3.1Å; I251-F261 HydrophobicContact CG2-CE1 3.95Å; I251-F261 HydrophobicContact CG2-CZ 3.64Å; I251-M276 HydrophobicContact CB-CE 4.38Å; I251-M276 HydrophobicContact CD1-CE 4.29Å; I251-M276 HydrophobicContact CG1-CE 3.77Å; I251-M276 HydrophobicContact CG2-CE 3.98Å; I251-I279 HydrophobicContact CG1-CD1 4.42Å; I251-I279 HydrophobicContact CG1-CG2 3.97Å
252A98.2Very high97.8Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-60.9-32.3177.900000112.2R162 M220 W248 A255 E256R162-A252 WeakPolarHBondContact CD-O 3.36Å; M220-A252 HydrophobicContact CB-CB 3.77Å; M220-A252 HydrophobicContact CG-CB 4.2Å; M220-A252 HydrophobicContact SD-CB 4.01Å; W248-A252 WeakPolarHBondContact O-CB 3.35Å; W248-A252 PolarHBondContact O-N 2.94Å; A252-A255 PolarHBondContact O-N 3.3Å; A252-E256 PolarHBondContact O-N 3.48Å; A252-E256 VanDerWaalsContact O-N 3.14Å
253S98.6Very high97.9Very high0 Ų021.9 Ų21.90%09%0.094CC..Hα-helixtrans-73.4-30.5172.7-55.20000112.5S218 A249 Q250 I251 A255 E256 T257 W282S218-S253 WeakPolarHBondContact CB-OG 3.33Å; S218-S253 PolarHBondContact N-OG 2.82Å; A249-S253 VanDerWaalsContact O-CB 3.31Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.01Å; A249-S253 PolarHBondContact O-OG 3.45Å; Q250-S253 PolarHBondContact O-N 3.13Å; I251-S253 PolarHBondContact O-N 3.36Å; S253-A255 VanDerWaalsContact C-N 3.31Å; S253-E256 WeakPolarHBondContact O-CB 3.26Å; S253-E256 PolarHBondContact O-N 2.99Å; S253-T257 WeakPolarHBondContact O-CG2 3.36Å; S253-T257 PolarHBondContact O-N 2.88Å; S253-W282 VanDerWaalsContact OG-CD1 3.29Å; S253-W282 PolarHBondContact OG-NE1 3.15Å
254G98.3Very high98Very high0 Ų015.3 Ų15.30%07%0.065CC..Hα-helixtrans-59-42.2170.100000111.9Q250 I251 T257Q250-G254 PolarHBondContact O-N 2.99Å; I251-G254 WeakPolarHBondContact O-CA 2.98Å; I251-G254 PolarHBondContact O-N 3.42Å; G254-T257 WeakPolarHBondContact O-CG2 3.16Å; G254-T257 PolarHBondContact O-N 3.17Å; G254-T257 PolarHBondContact O-OG1 3.47Å
255A98.1Very high98Very high1 Ų111.8 Ų11.81%0.0085%0.052CC..Hα-helixtrans-68.2-32.2172.700000113.1N153 I251 A252 S253 T257 G258 D260N153-A255 PolarHBondContact ND2-O 3.08Å; I251-A255 PolarHBondContact O-N 3.12Å; I251-A255 VanDerWaalsContact O-N 3.1Å; A252-A255 PolarHBondContact O-N 3.3Å; S253-A255 VanDerWaalsContact C-N 3.31Å; A255-T257 PolarHBondContact O-N 2.85Å; A255-G258 PolarHBondContact O-N 3.47Å; A255-D260 HydrophobicContact CB-CB 4.2Å
256E98.7Very high98.1Very high0 Ų09 Ų90%04%0.039CC..Hα-helixtrans-62.4-24.7173.3-162.9176.5-135.400112.4R162 S163 Q164 R203 Y216 K217 S218 A252 S253 G258R162-E256 WeakPolarHBondContact CA-OE1 3.4Å; R162-E256 HydrophobicContact CB-CB 3.92Å; R162-E256 HydrophobicContact CB-CG 3.92Å; S163-E256 PolarHBondContact N-OE1 3.47Å; S163-E256 WeakPolarHBondContact O-CG 3.5Å; Q164-E256 WeakPolarHBondContact CA-O 3.49Å; R203-E256 IonicContact CZ-OE1 2.8Å; R203-E256 VanDerWaalsContact CZ-OE1 3.29Å; R203-E256 IonicContact CZ-OE2 2.74Å; R203-E256 IonicContact NE-OE1 3.98Å; R203-E256 PolarHBondContact NE-OE1 3.27Å; R203-E256 IonicContact NE-OE2 3.61Å; R203-E256 PolarHBondContact NE-OE2 2.81Å; R203-E256 VanDerWaalsContact NE-OE2 3.15Å; R203-E256 IonicContact NH2-OE1 2.66Å; R203-E256 PolarHBondContact NH2-OE1 3.13Å; R203-E256 IonicContact NH2-OE2 2.87Å; Y216-E256 WeakPolarHBondContact CA-OE2 3.1Å; Y216-E256 HydrophobicContact CD1-CB 4.22Å; Y216-E256 HydrophobicContact CD1-CG 3.8Å; Y216-E256 WeakPolarHBondContact CD1-O 3.25Å; Y216-E256 WeakPolarHBondContact CE1-O 3.24Å; K217-E256 PolarHBondContact N-OE2 3.16Å; S218-E256 PolarHBondContact N-OE2 3.28Å; A252-E256 PolarHBondContact O-N 3.48Å; A252-E256 VanDerWaalsContact O-N 3.14Å; S253-E256 WeakPolarHBondContact O-CB 3.26Å; S253-E256 PolarHBondContact O-N 2.99Å; E256-G258 PolarHBondContact O-N 2.85Å
257T98.7Very high98.1Very high0 Ų04.4 Ų4.40%03%0.025CC..THydrogen-bonded Turntrans-77.6-12.4-179.788.70000113P165 Y216 S253 G254 A255 W259 W265 T281P165-T257 WeakPolarHBondContact CG-O 3.38Å; Y216-T257 HydrophobicContact CD2-CG2 3.31Å; Y216-T257 HydrophobicContact CE2-CG2 3.98Å; Y216-T257 HydrophobicContact CG-CG2 3.68Å; S253-T257 WeakPolarHBondContact O-CG2 3.36Å; S253-T257 PolarHBondContact O-N 2.88Å; G254-T257 WeakPolarHBondContact O-CG2 3.16Å; G254-T257 PolarHBondContact O-N 3.17Å; G254-T257 PolarHBondContact O-OG1 3.47Å; A255-T257 PolarHBondContact O-N 2.85Å; T257-W259 PolarHBondContact O-N 2.78Å; T257-W259 WeakPolarHBondContact OG1-CA 3.35Å; T257-W259 WeakPolarHBondContact OG1-CB 2.96Å; T257-W259 PolarHBondContact OG1-N 3.02Å; T257-W265 VanDerWaalsContact CB-CZ2 3.48Å; T257-W265 HydrophobicContact CG2-CD2 4.31Å; T257-W265 HydrophobicContact CG2-CH2 4.06Å; T257-W265 HydrophobicContact CG2-CZ2 3.58Å; T257-W265 VanDerWaalsContact OG1-CZ2 3.27Å; T257-W265 WeakPolarHBondContact OG1-CZ2 3.34Å; T257-W265 PolarHBondContact OG1-NE1 3.2Å; T257-T281 HydrophobicContact CG2-CG2 3.76Å
258G97.9Very high98Very high1 Ų16 Ų61%0.013%0.029CC..THydrogen-bonded Turntrans68.88.6-164.900000114.2W116 A255 E256 W403W116-G258 VanDerWaalsContact CH2-O 3.32Å; W116-G258 WeakPolarHBondContact CH2-O 3.49Å; W116-G258 WeakPolarHBondContact CZ2-O 3.5Å; A255-G258 PolarHBondContact O-N 3.47Å; E256-G258 PolarHBondContact O-N 2.85Å; G258-W403 WeakPolarHBondContact O-CZ2 3.47Å; G258-W403 PolarHBondContact O-NE1 3.23Å
259W98.3Very high97.8Very high1 Ų110.2 Ų10.20%0.0045%0.05CC..  trans-121.152-179.4-69.949.2000110.6W116 T257 F261 S262 W265 Y354 I355 T394 W403 L412W116-W259 AromaticContact CH2-CD1 3.7Å; W116-W259 AromaticContact CH2-NE1 3.76Å; T257-W259 PolarHBondContact O-N 2.78Å; T257-W259 WeakPolarHBondContact OG1-CA 3.35Å; T257-W259 WeakPolarHBondContact OG1-CB 2.96Å; T257-W259 PolarHBondContact OG1-N 3.02Å; W259-F261 CarbonylContact O-C 3.6Å; W259-F261 VanDerWaalsContact O-C 3.28Å; W259-F261 WeakPolarHBondContact O-CA 3.36Å; W259-S262 PolarHBondContact O-N 2.91Å; W259-W265 HydrophobicContact CB-CZ2 4.3Å; W259-W265 PolarHBondContact O-NE1 2.9Å; W259-Y354 HydrophobicContact CZ3-CD1 4.44Å; W259-I355 HydrophobicContact CH2-CG2 3.77Å; W259-I355 HydrophobicContact CZ2-CG2 4.34Å; W259-T394 HydrophobicContact CE3-CG2 4Å; W259-T394 HydrophobicContact CH2-CG2 3.61Å; W259-T394 HydrophobicContact CZ3-CG2 3.24Å; W259-W403 VanDerWaalsContact C-CD1 3.43Å; W259-W403 VanDerWaalsContact CA-CD1 3.46Å; W259-W403 HydrophobicContact CB-CB 4.07Å; W259-W403 HydrophobicContact CB-CD2 4.1Å; W259-W403 HydrophobicContact CB-CE3 4.49Å; W259-W403 HydrophobicContact CB-CG 3.89Å; W259-W403 HydrophobicContact CD2-CB 4.17Å; W259-W403 HydrophobicContact CD2-CD2 4.06Å; W259-W403 AromaticContact CD2-CE3 3.6Å; W259-W403 HydrophobicContact CD2-CE3 3.6Å; W259-W403 HydrophobicContact CD2-CG 4.31Å; W259-W403 HydrophobicContact CD2-CZ3 4.33Å; W259-W403 AromaticContact CE2-CE3 3.79Å; W259-W403 HydrophobicContact CE3-CB 3.75Å; W259-W403 HydrophobicContact CE3-CD2 4.44Å; W259-W403 HydrophobicContact CE3-CE3 4.05Å; W259-W403 HydrophobicContact CE3-CG 4.37Å; W259-W403 HydrophobicContact CG-CB 4.34Å; W259-W403 AromaticContact CG-CD2 3.89Å; W259-W403 HydrophobicContact CG-CD2 3.89Å; W259-W403 AromaticContact CG-CE3 3.8Å; W259-W403 HydrophobicContact CG-CE3 3.8Å; W259-W403 HydrophobicContact CG-CG 4.14Å; W259-W403 HydrophobicContact CG-CZ3 4.41Å; W259-W403 HydrophobicContact CZ2-CE3 4.39Å; W259-W403 AromaticContact NE1-CZ3 3.97Å; W259-L412 HydrophobicContact CH2-CD1 3.66Å; W259-L412 HydrophobicContact CH2-CD2 4.48Å; W259-L412 HydrophobicContact CZ2-CD1 3.38Å; W259-L412 HydrophobicContact CZ2-CD2 3.51Å; W259-L412 HydrophobicContact CZ2-CG 4.09Å
260D96.6Very high97.6Very high31 Ų3115.2 Ų15.217%0.1668%0.083CC..SBendtrans-88.8102.2177.247.2-47.7000111.3A255 Q402A255-D260 HydrophobicContact CB-CB 4.2Å; D260-Q402 WeakPolarHBondContact O-CG 3.45Å; D260-Q402 PolarHBondContact O-NE2 3.04Å
261F97.8Very high97.3Very high6 Ų621 Ų213%0.02612%0.121CC..SBendcis-115.8166.7-8.5-57-71.8000112.8I251 W259 F266 M276 I279 E401 W403I251-F261 HydrophobicContact CG2-CE1 3.95Å; I251-F261 HydrophobicContact CG2-CZ 3.64Å; W259-F261 CarbonylContact O-C 3.6Å; W259-F261 VanDerWaalsContact O-C 3.28Å; W259-F261 WeakPolarHBondContact O-CA 3.36Å; F261-F266 HydrophobicContact CB-CE1 4.28Å; F261-F266 HydrophobicContact CB-CZ 3.79Å; F261-M276 HydrophobicContact CB-CE 4.46Å; F261-M276 HydrophobicContact CB-SD 3.9Å; F261-M276 HydrophobicContact CD1-CE 3.42Å; F261-M276 VanDerWaalsContact CD1-CE 3.42Å; F261-M276 HydrophobicContact CD1-SD 3.78Å; F261-M276 HydrophobicContact CD2-CE 3.48Å; F261-M276 VanDerWaalsContact CD2-CE 3.48Å; F261-M276 HydrophobicContact CD2-SD 3.92Å; F261-M276 HydrophobicContact CE1-CE 3.38Å; F261-M276 HydrophobicContact CE1-SD 4.34Å; F261-M276 HydrophobicContact CE2-CE 3.42Å; F261-M276 VanDerWaalsContact CE2-CE 3.42Å; F261-M276 HydrophobicContact CE2-SD 4.46Å; F261-M276 HydrophobicContact CG-CE 3.49Å; F261-M276 VanDerWaalsContact CG-CE 3.49Å; F261-M276 HydrophobicContact CG-SD 3.56Å; F261-M276 VanDerWaalsContact CG-SD 3.56Å; F261-M276 HydrophobicContact CZ-CE 3.37Å; F261-I279 HydrophobicContact CD1-CD1 4.03Å; F261-I279 HydrophobicContact CE1-CD1 4.25Å; F261-E401 HydrophobicContact CB-CB 4.26Å; F261-E401 HydrophobicContact CB-CG 4.02Å; F261-E401 WeakPolarHBondContact O-CB 3.31Å; F261-W403 WeakPolarHBondContact O-CB 3.31Å; F261-W403 PolarHBondContact O-N 3.4Å
262S98.6Very high97.1Very high0 Ų024 Ų240%014%0.137CC..  trans-147.8142.4-178.6-173.50000110W259 R264 W265 F266 W403W259-S262 PolarHBondContact O-N 2.91Å; S262-R264 PolarHBondContact O-N 2.92Å; S262-R264 VanDerWaalsContact OG-CB 3.3Å; S262-R264 WeakPolarHBondContact OG-CB 3.27Å; S262-R264 PolarHBondContact OG-N 3.24Å; S262-W265 PolarHBondContact O-N 3.35Å; S262-F266 WeakPolarHBondContact O-CD1 3.31Å; S262-F266 WeakPolarHBondContact O-CE1 3.21Å; S262-F266 WeakPolarHBondContact O-CZ 3.41Å; S262-W403 WeakPolarHBondContact CB-O 3.28Å; S262-W403 PolarHBondContact OG-O 3.43Å
263S98.2Very high96.9Very high0 Ų025.3 Ų25.30%015%0.147CC..G310 helixtrans-54-20.7167.171.70000112.9W265 F266 Y354 I397 D404S263-W265 PolarHBondContact O-N 3.13Å; S263-F266 VanDerWaalsContact CA-CD2 3.42Å; S263-F266 PolarHBondContact O-N 2.83Å; S263-F266 VanDerWaalsContact O-N 3.11Å; S263-Y354 PolarHBondContact O-OH 2.98Å; S263-Y354 WeakPolarHBondContact OG-CE1 3.3Å; S263-Y354 PolarHBondContact OG-OH 3.35Å; S263-I397 WeakPolarHBondContact OG-CB 3.39Å; S263-I397 WeakPolarHBondContact OG-CD1 3.4Å; S263-D404 WeakPolarHBondContact CA-OD2 3.44Å; S263-D404 WeakPolarHBondContact CB-OD2 3.49Å; S263-D404 PolarHBondContact N-OD2 3.31Å; S263-D404 VanDerWaalsContact OG-CG 3.27Å; S263-D404 PolarHBondContact OG-OD1 2.86Å; S263-D404 PolarHBondContact OG-OD2 3.25Å; S263-D404 VanDerWaalsContact OG-OD2 3.11Å
264R98.4Very high96.8Very high0 Ų028.1 Ų28.10%016%0.16CC..G310 helixtrans-49-41.7171.4-170.7175.8178.6-158.7-6.9111.6S262 R268 I284 D288 D341 Y354 S356S262-R264 PolarHBondContact O-N 2.92Å; S262-R264 VanDerWaalsContact OG-CB 3.3Å; S262-R264 WeakPolarHBondContact OG-CB 3.27Å; S262-R264 PolarHBondContact OG-N 3.24Å; R264-R268 PolarHBondContact O-NH2 2.94Å; R264-I284 WeakPolarHBondContact O-CD1 3.37Å; R264-D288 IonicContact CZ-OD1 2.69Å; R264-D288 IonicContact CZ-OD2 3.43Å; R264-D288 IonicContact NH1-OD1 3.3Å; R264-D288 IonicContact NH1-OD2 2.71Å; R264-D288 PolarHBondContact NH1-OD2 2.62Å; R264-D288 IonicContact NH2-OD1 3.2Å; R264-D288 PolarHBondContact NH2-OD1 2.92Å; R264-D288 IonicContact NH2-OD2 2.75Å; R264-D288 PolarHBondContact NH2-OD2 3.43Å; R264-D341 WeakPolarHBondContact CG-OD2 3.3Å; R264-D341 IonicContact CZ-OD1 2.83Å; R264-D341 IonicContact CZ-OD2 3.69Å; R264-D341 IonicContact NE-OD1 3.63Å; R264-D341 IonicContact NE-OD2 3.78Å; R264-D341 PolarHBondContact NE-OD2 3.3Å; R264-D341 IonicContact NH2-OD1 2.77Å; R264-D341 PolarHBondContact NH2-OD1 3.48Å; R264-D341 IonicContact NH2-OD2 3.41Å; R264-D341 PolarHBondContact NH2-OD2 3.49Å; R264-Y354 WeakPolarHBondContact CA-OH 3.24Å; R264-Y354 HydrophobicContact CB-CD1 3.96Å; R264-Y354 HydrophobicContact CB-CD2 4.43Å; R264-Y354 HydrophobicContact CB-CE1 3.68Å; R264-Y354 HydrophobicContact CB-CE2 4.15Å; R264-Y354 HydrophobicContact CB-CG 4.35Å; R264-Y354 HydrophobicContact CG-CD1 4.36Å; R264-Y354 HydrophobicContact CG-CD2 4.17Å; R264-Y354 HydrophobicContact CG-CE1 4.43Å; R264-Y354 HydrophobicContact CG-CE2 4.21Å; R264-Y354 HydrophobicContact CG-CG 4.26Å; R264-Y354 PolarHBondContact N-OH 3.38Å; R264-Y354 VanDerWaalsContact N-OH 3.08Å; R264-S356 VanDerWaalsContact CZ-OG 3.25Å; R264-S356 PolarHBondContact NE-OG 3.01Å
265W98.7Very high96.7Very high1 Ų134.1 Ų34.10%0.00418%0.183CC..G310 helixtrans-92.2-1.9-175-46.8126000114.6T257 W259 S262 S263 I279 R280 T281 I284 P286T257-W265 VanDerWaalsContact CB-CZ2 3.48Å; T257-W265 HydrophobicContact CG2-CD2 4.31Å; T257-W265 HydrophobicContact CG2-CH2 4.06Å; T257-W265 HydrophobicContact CG2-CZ2 3.58Å; T257-W265 VanDerWaalsContact OG1-CZ2 3.27Å; T257-W265 WeakPolarHBondContact OG1-CZ2 3.34Å; T257-W265 PolarHBondContact OG1-NE1 3.2Å; W259-W265 HydrophobicContact CB-CZ2 4.3Å; W259-W265 PolarHBondContact O-NE1 2.9Å; S262-W265 PolarHBondContact O-N 3.35Å; S263-W265 PolarHBondContact O-N 3.13Å; W265-I279 HydrophobicContact CB-CG1 4.23Å; W265-R280 WeakPolarHBondContact O-CG 3.37Å; W265-R280 PolarHBondContact O-N 3.49Å; W265-T281 HydrophobicContact CD2-CG2 4.29Å; W265-T281 HydrophobicContact CE3-CG2 4.22Å; W265-I284 HydrophobicContact CE3-CB 4.21Å; W265-I284 HydrophobicContact CE3-CD1 3.88Å; W265-I284 HydrophobicContact CE3-CG2 4.08Å; W265-I284 HydrophobicContact CZ3-CB 4.21Å; W265-I284 HydrophobicContact CZ3-CG2 3.71Å; W265-P286 HydrophobicContact CH2-CB 3.73Å; W265-P286 HydrophobicContact CH2-CG 4.24Å; W265-P286 HydrophobicContact CZ3-CB 3.95Å; W265-P286 HydrophobicContact CZ3-CG 4.43Å
266F98Very high96.6Very high0 Ų034.7 Ų34.70%019%0.185CC..BIsolated β-bridgetrans-98.1158.2-171.9-57.8-14000111.4F261 S262 S263 F274 R275 M276 I279 E401F261-F266 HydrophobicContact CB-CE1 4.28Å; F261-F266 HydrophobicContact CB-CZ 3.79Å; S262-F266 WeakPolarHBondContact O-CD1 3.31Å; S262-F266 WeakPolarHBondContact O-CE1 3.21Å; S262-F266 WeakPolarHBondContact O-CZ 3.41Å; S263-F266 VanDerWaalsContact CA-CD2 3.42Å; S263-F266 PolarHBondContact O-N 2.83Å; S263-F266 VanDerWaalsContact O-N 3.11Å; F266-F274 VanDerWaalsContact CD2-C 3.45Å; F266-F274 WeakPolarHBondContact CD2-O 3.27Å; F266-R275 WeakPolarHBondContact CG-O 3.08Å; F266-M276 HydrophobicContact CE1-CB 4.32Å; F266-M276 HydrophobicContact CE1-SD 3.4Å; F266-M276 WeakPolarHBondContact CE1-SD 3.22Å; F266-M276 HydrophobicContact CE2-CB 4.24Å; F266-M276 VanDerWaalsContact CZ-CA 3.48Å; F266-M276 HydrophobicContact CZ-CB 3.82Å; F266-M276 HydrophobicContact CZ-CG 4.28Å; F266-M276 HydrophobicContact CZ-SD 3.5Å; F266-M276 VanDerWaalsContact CZ-SD 3.5Å; F266-I279 HydrophobicContact CD1-CB 3.89Å; F266-I279 HydrophobicContact CD1-CG1 4.13Å; F266-I279 HydrophobicContact CE1-CB 4Å; F266-I279 HydrophobicContact CE1-CD1 4.17Å; F266-I279 HydrophobicContact CE1-CG1 4.09Å; F266-E401 HydrophobicContact CE2-CG 3.67Å; F266-E401 HydrophobicContact CZ-CG 3.83Å
267S96.9Very high96.3Very high21 Ų2140.7 Ų40.715%0.14721%0.211CC..  trans-63.7147.1171.8-173.90000110.7M269 A273 F274 S278S267-M269 PolarHBondContact OG-N 3.18Å; S267-M269 VanDerWaalsContact OG-N 3.15Å; S267-A273 CarbonylContact O-C 3.42Å; S267-A273 VanDerWaalsContact O-CA 3.31Å; S267-A273 WeakPolarHBondContact O-CA 3.42Å; S267-F274 PolarHBondContact O-N 3.08Å; S267-S278 PolarHBondContact N-O 2.73Å; S267-S278 VanDerWaalsContact N-O 3.09Å; S267-S278 PolarHBondContact N-OG 3.21Å
268R95.1Very high96.2Very high47 Ų4741.6 Ų41.618%0.17722%0.218CC..SBendtrans-93.7-0.4172.8-66.1165.1-176.575.125112.2R264 F274R264-R268 PolarHBondContact O-NH2 2.94Å; R268-F274 HydrophobicContact CB-CE1 4.41Å; R268-F274 HydrophobicContact CB-CZ 4.2Å; R268-F274 HydrophobicContact CG-CD1 4.41Å; R268-F274 HydrophobicContact CG-CE1 3.62Å; R268-F274 HydrophobicContact CG-CZ 3.84Å
269M93.6Very high96.2Very high105 Ų10541.8 Ų41.852%0.51722%0.218SC..SBendtrans-99.8141.3-174.7-60-63.2-67.500111.5S267 A273S267-M269 PolarHBondContact OG-N 3.18Å; S267-M269 VanDerWaalsContact OG-N 3.15Å; M269-A273 WeakPolarHBondContact O-CA 3.19Å; M269-A273 PolarHBondContact O-N 3.07Å; M269-A273 VanDerWaalsContact O-N 3.16Å
270P93.8Very high96.1Very high105 Ų10542.7 Ų42.768%0.68222%0.222SC*.SBendtrans-55.3154.8167.2-23.734000112.4
271P93.6Very high96.2Very high123 Ų12341.2 Ų41.280%0.79921%0.214SC*.SBendcis-84.1-17.5232.5-35.1000114.3
272N92.5Very high96.2Very high62 Ų6243 Ų4333%0.33222%0.22SC..SBendtrans-100.829.3-172.1-66.1-37.5000113.3F274 R275 S278N272-F274 PolarHBondContact O-N 3.18Å; N272-R275 PolarHBondContact O-N 3.14Å; N272-R275 VanDerWaalsContact O-N 3.08Å; N272-S278 WeakPolarHBondContact O-CB 3.38Å; N272-S278 PolarHBondContact O-OG 3.36Å
273A95.7Very high96.2Very high27 Ų2743.4 Ų43.422%0.22322%0.224CC..THydrogen-bonded Turntrans-54.5128.4-177.600000110.9S267 M269 R275S267-A273 CarbonylContact O-C 3.42Å; S267-A273 VanDerWaalsContact O-CA 3.31Å; S267-A273 WeakPolarHBondContact O-CA 3.42Å; M269-A273 WeakPolarHBondContact O-CA 3.19Å; M269-A273 PolarHBondContact O-N 3.07Å; M269-A273 VanDerWaalsContact O-N 3.16Å; A273-R275 PolarHBondContact O-N 2.94Å
274F96.5Very high96.2Very high60 Ų6043.5 Ų43.526%0.26322%0.224SC..THydrogen-bonded Turntrans57.528.3-180-47.3-75.9000114.4F266 S267 R268 N272 I397F266-F274 VanDerWaalsContact CD2-C 3.45Å; F266-F274 WeakPolarHBondContact CD2-O 3.27Å; S267-F274 PolarHBondContact O-N 3.08Å; R268-F274 HydrophobicContact CB-CE1 4.41Å; R268-F274 HydrophobicContact CB-CZ 4.2Å; R268-F274 HydrophobicContact CG-CD1 4.41Å; R268-F274 HydrophobicContact CG-CE1 3.62Å; R268-F274 HydrophobicContact CG-CZ 3.84Å; N272-F274 PolarHBondContact O-N 3.18Å; F274-I397 HydrophobicContact CB-CG2 3.91Å; F274-I397 HydrophobicContact CD1-CD1 3.75Å; F274-I397 HydrophobicContact CD1-CG1 4.5Å; F274-I397 HydrophobicContact CD1-CG2 4.16Å; F274-I397 HydrophobicContact CE1-CD1 3.6Å; F274-I397 HydrophobicContact CE1-CG1 4.49Å; F274-I397 HydrophobicContact CG-CG2 4.07Å; F274-I397 HydrophobicContact CZ-CD1 4.4Å
275R95.6Very high96.3Very high126 Ų12643.5 Ų43.548%0.47522%0.224SC..SBendtrans-116.7147.4173.4-58.1-59.6-179.1-146-5.5111.7F266 N272 A273 K277 S278 S399F266-R275 WeakPolarHBondContact CG-O 3.08Å; N272-R275 PolarHBondContact O-N 3.14Å; N272-R275 VanDerWaalsContact O-N 3.08Å; A273-R275 PolarHBondContact O-N 2.94Å; R275-K277 PolarHBondContact O-N 2.74Å; R275-K277 VanDerWaalsContact O-N 3.12Å; R275-S278 WeakPolarHBondContact O-CB 3.4Å; R275-S278 PolarHBondContact O-N 2.9Å; R275-S278 PolarHBondContact O-OG 2.95Å; R275-S399 PolarHBondContact NH1-O 3.45Å
276M94.6Very high96.3Very high13 Ų1343.4 Ų43.46%0.06422%0.224CC..G310 helixtrans-52.5-34.4-179.7-17557.1175.400114M234 I251 F261 F266 S278 I279M234-M276 HydrophobicContact CE-CB 4.15Å; M234-M276 HydrophobicContact CE-CG 3.55Å; M234-M276 HydrophobicContact SD-CG 4.11Å; I251-M276 HydrophobicContact CB-CE 4.38Å; I251-M276 HydrophobicContact CD1-CE 4.29Å; I251-M276 HydrophobicContact CG1-CE 3.77Å; I251-M276 HydrophobicContact CG2-CE 3.98Å; F261-M276 HydrophobicContact CB-CE 4.46Å; F261-M276 HydrophobicContact CB-SD 3.9Å; F261-M276 HydrophobicContact CD1-CE 3.42Å; F261-M276 VanDerWaalsContact CD1-CE 3.42Å; F261-M276 HydrophobicContact CD1-SD 3.78Å; F261-M276 HydrophobicContact CD2-CE 3.48Å; F261-M276 VanDerWaalsContact CD2-CE 3.48Å; F261-M276 HydrophobicContact CD2-SD 3.92Å; F261-M276 HydrophobicContact CE1-CE 3.38Å; F261-M276 HydrophobicContact CE1-SD 4.34Å; F261-M276 HydrophobicContact CE2-CE 3.42Å; F261-M276 VanDerWaalsContact CE2-CE 3.42Å; F261-M276 HydrophobicContact CE2-SD 4.46Å; F261-M276 HydrophobicContact CG-CE 3.49Å; F261-M276 VanDerWaalsContact CG-CE 3.49Å; F261-M276 HydrophobicContact CG-SD 3.56Å; F261-M276 VanDerWaalsContact CG-SD 3.56Å; F261-M276 HydrophobicContact CZ-CE 3.37Å; F266-M276 HydrophobicContact CE1-CB 4.32Å; F266-M276 HydrophobicContact CE1-SD 3.4Å; F266-M276 WeakPolarHBondContact CE1-SD 3.22Å; F266-M276 HydrophobicContact CE2-CB 4.24Å; F266-M276 VanDerWaalsContact CZ-CA 3.48Å; F266-M276 HydrophobicContact CZ-CB 3.82Å; F266-M276 HydrophobicContact CZ-CG 4.28Å; F266-M276 HydrophobicContact CZ-SD 3.5Å; F266-M276 VanDerWaalsContact CZ-SD 3.5Å; M276-S278 PolarHBondContact O-N 2.86Å; M276-I279 HydrophobicContact CE-CD1 3.86Å; M276-I279 VanDerWaalsContact O-CB 3.32Å; M276-I279 WeakPolarHBondContact O-CB 3.29Å; M276-I279 VanDerWaalsContact O-CG2 3.29Å; M276-I279 WeakPolarHBondContact O-CG2 3.21Å; M276-I279 PolarHBondContact O-N 2.89Å; M276-I279 HydrophobicContact SD-CB 4.16Å; M276-I279 HydrophobicContact SD-CD1 3.8Å; M276-I279 HydrophobicContact SD-CG2 4.48Å
277K93.7Very high96.3Very high126 Ų12643.4 Ų43.455%0.54822%0.224SC..G310 helixtrans-56.8-12.9173.1-66.3-172.2-176.5-172.60114.7M234 R275M234-K277 HydrophobicContact SD-CG 3.8Å; R275-K277 PolarHBondContact O-N 2.74Å; R275-K277 VanDerWaalsContact O-N 3.12Å
278S95.9Very high96.4Very high19 Ų1942.7 Ų42.713%0.13322%0.218CC..G310 helixtrans-113.216.7178.975.40000113.8S267 N272 R275 M276 R280S267-S278 PolarHBondContact N-O 2.73Å; S267-S278 VanDerWaalsContact N-O 3.09Å; S267-S278 PolarHBondContact N-OG 3.21Å; N272-S278 WeakPolarHBondContact O-CB 3.38Å; N272-S278 PolarHBondContact O-OG 3.36Å; R275-S278 WeakPolarHBondContact O-CB 3.4Å; R275-S278 PolarHBondContact O-N 2.9Å; R275-S278 PolarHBondContact O-OG 2.95Å; M276-S278 PolarHBondContact O-N 2.86Å; S278-R280 PolarHBondContact O-N 3.49Å
279I97.6Very high96.6Very high4 Ų440.4 Ų40.42%0.02121%0.209CC..BIsolated β-bridgetrans-55.1133.4177.5-169168.8000111.4Q250 I251 F261 W265 F266 M276 T281Q250-I279 HydrophobicContact CB-CG1 4.23Å; Q250-I279 HydrophobicContact CB-CG2 3.92Å; I251-I279 HydrophobicContact CG1-CD1 4.42Å; I251-I279 HydrophobicContact CG1-CG2 3.97Å; F261-I279 HydrophobicContact CD1-CD1 4.03Å; F261-I279 HydrophobicContact CE1-CD1 4.25Å; W265-I279 HydrophobicContact CB-CG1 4.23Å; F266-I279 HydrophobicContact CD1-CB 3.89Å; F266-I279 HydrophobicContact CD1-CG1 4.13Å; F266-I279 HydrophobicContact CE1-CB 4Å; F266-I279 HydrophobicContact CE1-CD1 4.17Å; F266-I279 HydrophobicContact CE1-CG1 4.09Å; M276-I279 HydrophobicContact CE-CD1 3.86Å; M276-I279 VanDerWaalsContact O-CB 3.32Å; M276-I279 WeakPolarHBondContact O-CB 3.29Å; M276-I279 VanDerWaalsContact O-CG2 3.29Å; M276-I279 WeakPolarHBondContact O-CG2 3.21Å; M276-I279 PolarHBondContact O-N 2.89Å; M276-I279 HydrophobicContact SD-CB 4.16Å; M276-I279 HydrophobicContact SD-CD1 3.8Å; M276-I279 HydrophobicContact SD-CG2 4.48Å; I279-T281 WeakPolarHBondContact CG1-OG1 3.45Å
280R97.7Very high96.8Very high20 Ų2035.8 Ų35.88%0.07519%0.187CC..  trans-149.740.4-173.358.6-178.3-72.4-121.9-0.4112.3W246 W265 S278 W282 S283 D343 D345 R346W246-R280 HydrophobicContact CH2-CB 4.29Å; W265-R280 WeakPolarHBondContact O-CG 3.37Å; W265-R280 PolarHBondContact O-N 3.49Å; S278-R280 PolarHBondContact O-N 3.49Å; R280-W282 PolarHBondContact O-N 2.8Å; R280-W282 VanDerWaalsContact O-N 3.09Å; R280-S283 VanDerWaalsContact O-CB 3.28Å; R280-S283 WeakPolarHBondContact O-CB 3.19Å; R280-S283 PolarHBondContact O-N 3.36Å; R280-S283 PolarHBondContact O-OG 3.49Å; R280-D343 IonicContact CZ-OD1 3.63Å; R280-D343 IonicContact CZ-OD2 3.5Å; R280-D343 IonicContact NH1-OD1 3.62Å; R280-D343 IonicContact NH1-OD2 2.73Å; R280-D343 PolarHBondContact NH1-OD2 3.37Å; R280-D343 IonicContact NH2-OD1 2.76Å; R280-D343 PolarHBondContact NH2-OD1 3.43Å; R280-D343 IonicContact NH2-OD2 3.39Å; R280-D343 PolarHBondContact NH2-OD2 2.9Å; R280-D345 IonicContact CZ-OD2 3.51Å; R280-D345 IonicContact NE-OD2 3.67Å; R280-D345 VanDerWaalsContact NH2-CB 3.34Å; R280-D345 VanDerWaalsContact NH2-CG 3.27Å; R280-D345 IonicContact NH2-OD2 2.65Å; R280-D345 PolarHBondContact NH2-OD2 2.93Å; R280-R346 VanDerWaalsContact NH1-NH1 3.12Å
281T98.6Very high97.1Very high1 Ų130.8 Ų30.81%0.00615%0.154CC..G310 helixtrans-46.8-40.5-173.9-41.40000113.9Q250 T257 W265 I279 S283 I284Q250-T281 PolarHBondContact O-OG1 2.9Å; T257-T281 HydrophobicContact CG2-CG2 3.76Å; W265-T281 HydrophobicContact CD2-CG2 4.29Å; W265-T281 HydrophobicContact CE3-CG2 4.22Å; I279-T281 WeakPolarHBondContact CG1-OG1 3.45Å; T281-S283 PolarHBondContact O-N 2.97Å; T281-S283 VanDerWaalsContact O-N 3.11Å; T281-I284 PolarHBondContact O-N 3.31Å; T281-I284 VanDerWaalsContact O-N 3.1Å
282W97.9Very high97.3Very high42 Ų4225 Ų2516%0.15912%0.117CC..G310 helixtrans-62.2-20.9178.6-72.45.3000114.3R215 K217 S218 A249 Q250 S253 R280 I284R215-W282 WeakPolarHBondContact CD-O 3.28Å; R215-W282 PolarHBondContact NH1-O 3.09Å; K217-W282 HydrophobicContact CG-CD2 3.93Å; K217-W282 HydrophobicContact CG-CG 4.03Å; K217-W282 HydrophobicContact CG-CZ2 4.03Å; S218-W282 WeakPolarHBondContact O-CZ2 3.38Å; A249-W282 HydrophobicContact CB-CH2 3.87Å; A249-W282 HydrophobicContact CB-CZ2 3.52Å; Q250-W282 VanDerWaalsContact NE2-CD2 3.27Å; S253-W282 VanDerWaalsContact OG-CD1 3.29Å; S253-W282 PolarHBondContact OG-NE1 3.15Å; R280-W282 PolarHBondContact O-N 2.8Å; R280-W282 VanDerWaalsContact O-N 3.09Å; W282-I284 VanDerWaalsContact C-N 3.28Å
283S98.1Very high97.6Very high10 Ų1022.2 Ų22.27%0.0710%0.101CC..G310 helixtrans-87-1.3-178.2-390000112.2R280 T281 L344 D345R280-S283 VanDerWaalsContact O-CB 3.28Å; R280-S283 WeakPolarHBondContact O-CB 3.19Å; R280-S283 PolarHBondContact O-N 3.36Å; R280-S283 PolarHBondContact O-OG 3.49Å; T281-S283 PolarHBondContact O-N 2.97Å; T281-S283 VanDerWaalsContact O-N 3.11Å; S283-L344 WeakPolarHBondContact O-CB 3.48Å; S283-L344 PolarHBondContact O-N 3.39Å; S283-D345 WeakPolarHBondContact CB-OD2 3.38Å; S283-D345 PolarHBondContact OG-OD2 2.85Å
284I98.8Very high97.8Very high1 Ų120.9 Ų20.91%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-118125.8-173.8-60.8167.6000108.4R264 W265 T281 W282 P286 D341 Y342 I350R264-I284 WeakPolarHBondContact O-CD1 3.37Å; W265-I284 HydrophobicContact CE3-CB 4.21Å; W265-I284 HydrophobicContact CE3-CD1 3.88Å; W265-I284 HydrophobicContact CE3-CG2 4.08Å; W265-I284 HydrophobicContact CZ3-CB 4.21Å; W265-I284 HydrophobicContact CZ3-CG2 3.71Å; T281-I284 PolarHBondContact O-N 3.31Å; T281-I284 VanDerWaalsContact O-N 3.1Å; W282-I284 VanDerWaalsContact C-N 3.28Å; I284-P286 WeakPolarHBondContact O-CD 3.48Å; I284-D341 HydrophobicContact CG2-CB 3.76Å; I284-Y342 WeakPolarHBondContact CA-O 3.42Å; I284-I350 HydrophobicContact CD1-CD1 4.18Å; I284-I350 HydrophobicContact CG1-CD1 3.96Å; I284-I350 HydrophobicContact CG2-CD1 3.95Å
285V98.8Very high97.9Very high0 Ų018 Ų180%08%0.078CC..EExtended strand (participates in β ladder)trans-97.6110.1169.6-179.90000106.2I205 V207 F214 N290 H331 D341 Y342 L344I205-V285 HydrophobicContact CG2-CG2 4.43Å; V207-V285 HydrophobicContact CG2-CG2 3.97Å; F214-V285 WeakPolarHBondContact O-CG1 3.45Å; V285-N290 WeakPolarHBondContact CG1-ND2 3.48Å; V285-H331 PolarHBondContact O-CE1 3.44Å; V285-H331 VanDerWaalsContact O-CE1 3.26Å; V285-D341 WeakPolarHBondContact O-CA 3.44Å; V285-Y342 PolarHBondContact N-O 3.49Å; V285-Y342 PolarHBondContact O-N 2.87Å; V285-L344 HydrophobicContact CG2-CD1 3.92Å; V285-L344 HydrophobicContact CG2-CD2 3.68Å; V285-L344 HydrophobicContact CG2-CG 3.79Å
286P98.8Very high98Very high0 Ų012.1 Ų12.10%06%0.056CC..  trans-91.9138.5-168.632.9-29.6000112.3Y216 W265 I284 D288 L289 N290 D341Y216-P286 HydrophobicContact CD2-CG 3.73Å; Y216-P286 HydrophobicContact CE2-CG 3.7Å; W265-P286 HydrophobicContact CH2-CB 3.73Å; W265-P286 HydrophobicContact CH2-CG 4.24Å; W265-P286 HydrophobicContact CZ3-CB 3.95Å; W265-P286 HydrophobicContact CZ3-CG 4.43Å; I284-P286 WeakPolarHBondContact O-CD 3.48Å; P286-D288 VanDerWaalsContact C-N 3.35Å; P286-D288 WeakPolarHBondContact CB-OD1 3.34Å; P286-D288 PolarHBondContact O-N 2.87Å; P286-L289 HydrophobicContact CG-CB 3.84Å; P286-L289 HydrophobicContact CG-CD2 4.34Å; P286-N290 PolarHBondContact O-N 2.8Å; P286-N290 PolarHBondContact O-ND2 3.46Å; P286-D341 WeakPolarHBondContact CA-OD1 3.32Å
287A98.7Very high98.2Very high0 Ų011.5 Ų11.50%05%0.053CC..Hα-helixtrans-65.2-37.5-173.400000112.6N290 S291 H331 W339 D341 P360A287-N290 PolarHBondContact O-N 3.1Å; A287-S291 VanDerWaalsContact O-CB 3.25Å; A287-S291 WeakPolarHBondContact O-CB 3.29Å; A287-S291 PolarHBondContact O-N 3.01Å; A287-H331 HydrophobicContact CB-CB 4.22Å; A287-W339 HydrophobicContact CB-CB 3.94Å; A287-D341 PolarHBondContact N-OD1 2.92Å; A287-P360 HydrophobicContact CB-CG 4.38Å
288D98.7Very high98.5Very high5 Ų57.6 Ų7.63%0.0274%0.035CC..Hα-helixtrans-63.7-48.6178.253.4-4.6000112.7R264 P286 N290 S291 F292 V359R264-D288 IonicContact CZ-OD1 2.69Å; R264-D288 IonicContact CZ-OD2 3.43Å; R264-D288 IonicContact NH1-OD1 3.3Å; R264-D288 IonicContact NH1-OD2 2.71Å; R264-D288 PolarHBondContact NH1-OD2 2.62Å; R264-D288 IonicContact NH2-OD1 3.2Å; R264-D288 PolarHBondContact NH2-OD1 2.92Å; R264-D288 IonicContact NH2-OD2 2.75Å; R264-D288 PolarHBondContact NH2-OD2 3.43Å; P286-D288 VanDerWaalsContact C-N 3.35Å; P286-D288 WeakPolarHBondContact CB-OD1 3.34Å; P286-D288 PolarHBondContact O-N 2.87Å; D288-N290 VanDerWaalsContact C-N 3.32Å; D288-N290 PolarHBondContact O-N 3.44Å; D288-S291 CarbonylContact O-C 3.46Å; D288-S291 WeakPolarHBondContact O-CA 3.41Å; D288-S291 VanDerWaalsContact O-CB 3.28Å; D288-S291 WeakPolarHBondContact O-CB 3.44Å; D288-S291 PolarHBondContact O-N 3.14Å; D288-S291 VanDerWaalsContact O-N 3.11Å; D288-F292 HydrophobicContact CB-CE2 4.06Å; D288-F292 HydrophobicContact CB-CZ 4.35Å; D288-F292 VanDerWaalsContact O-CD2 3.23Å; D288-F292 WeakPolarHBondContact O-CD2 3.41Å; D288-F292 VanDerWaalsContact O-CG 3.31Å; D288-F292 WeakPolarHBondContact O-CG 3.43Å; D288-F292 PolarHBondContact O-N 2.94Å; D288-V359 HydrophobicContact CB-CB 4.11Å; D288-V359 HydrophobicContact CB-CG1 3.73Å
289L98.9Very high98.6Very high0 Ų06.7 Ų6.70%03%0.028CC..Hα-helixtrans-57.6-45.7176.2178.157.3000111.7P166 W199 F214 Y216 P286 S291 F292 M293P166-L289 HydrophobicContact CG-CD1 4.09Å; W199-L289 HydrophobicContact CE3-CD1 3.92Å; W199-L289 HydrophobicContact CE3-CD2 4.44Å; W199-L289 HydrophobicContact CH2-CD1 3.98Å; W199-L289 HydrophobicContact CZ3-CD1 3.54Å; W199-L289 HydrophobicContact CZ3-CD2 3.91Å; W199-L289 HydrophobicContact CZ3-CG 4.35Å; F214-L289 HydrophobicContact CB-CD2 3.76Å; F214-L289 HydrophobicContact CB-CG 3.9Å; Y216-L289 HydrophobicContact CD1-CD2 4.05Å; Y216-L289 HydrophobicContact CD2-CD2 4.14Å; Y216-L289 HydrophobicContact CE1-CD1 3.91Å; Y216-L289 HydrophobicContact CE1-CD2 3.92Å; Y216-L289 HydrophobicContact CE1-CG 4.34Å; Y216-L289 HydrophobicContact CE2-CB 3.9Å; Y216-L289 HydrophobicContact CE2-CD2 4.01Å; Y216-L289 HydrophobicContact CE2-CG 4.4Å; Y216-L289 HydrophobicContact CG-CD2 4.17Å; P286-L289 HydrophobicContact CG-CB 3.84Å; P286-L289 HydrophobicContact CG-CD2 4.34Å; L289-S291 VanDerWaalsContact C-N 3.26Å; L289-S291 PolarHBondContact O-N 3.38Å; L289-F292 PolarHBondContact O-N 3.41Å; L289-M293 HydrophobicContact CD1-CG 4.2Å; L289-M293 WeakPolarHBondContact O-CG 3.36Å; L289-M293 PolarHBondContact O-N 3.31Å
290N98.9Very high98.7Very high8 Ų86.5 Ų6.54%0.0433%0.027CC..Hα-helixtrans-67-32.2179.7-74.6-89.1000111.5S213 F214 V285 P286 A287 D288 C294 L327S213-N290 VanDerWaalsContact CA-OD1 3.24Å; S213-N290 WeakPolarHBondContact CA-OD1 3.36Å; F214-N290 PolarHBondContact N-OD1 3.21Å; F214-N290 PolarHBondContact O-ND2 3.33Å; V285-N290 WeakPolarHBondContact CG1-ND2 3.48Å; P286-N290 PolarHBondContact O-N 2.8Å; P286-N290 PolarHBondContact O-ND2 3.46Å; A287-N290 PolarHBondContact O-N 3.1Å; D288-N290 VanDerWaalsContact C-N 3.32Å; D288-N290 PolarHBondContact O-N 3.44Å; N290-C294 VanDerWaalsContact O-CB 3.32Å; N290-C294 WeakPolarHBondContact O-CB 3.26Å; N290-C294 PolarHBondContact O-N 3.5Å; N290-L327 HydrophobicContact CB-CD1 3.98Å
291S98.8Very high98.7Very high0 Ų05.7 Ų5.70%03%0.025CC..Hα-helixtrans-65.4-45170142.10000112.1A287 D288 L289 C294 M295 S363A287-S291 VanDerWaalsContact O-CB 3.25Å; A287-S291 WeakPolarHBondContact O-CB 3.29Å; A287-S291 PolarHBondContact O-N 3.01Å; D288-S291 CarbonylContact O-C 3.46Å; D288-S291 WeakPolarHBondContact O-CA 3.41Å; D288-S291 VanDerWaalsContact O-CB 3.28Å; D288-S291 WeakPolarHBondContact O-CB 3.44Å; D288-S291 PolarHBondContact O-N 3.14Å; D288-S291 VanDerWaalsContact O-N 3.11Å; L289-S291 VanDerWaalsContact C-N 3.26Å; L289-S291 PolarHBondContact O-N 3.38Å; S291-C294 PolarHBondContact O-N 3.43Å; S291-M295 PolarHBondContact O-N 3.23Å; S291-S363 VanDerWaalsContact O-CB 3.32Å; S291-S363 WeakPolarHBondContact O-CB 3.4Å; S291-S363 WeakPolarHBondContact OG-CB 3.47Å; S291-S363 PolarHBondContact OG-OG 3.2Å; S291-S363 VanDerWaalsContact OG-OG 3.09Å
292F98.9Very high98.7Very high2 Ų28.6 Ų8.61%0.0094%0.039CC..Hα-helixtrans-63.3-44.7175.7-60.4-41.1000111.9P165 P166 L167 D288 L289 C294 M295 N296 V359 Y362 M415P165-F292 HydrophobicContact CB-CD2 4.05Å; P165-F292 HydrophobicContact CB-CE2 3.81Å; P166-F292 HydrophobicContact CG-CB 4.18Å; L167-F292 HydrophobicContact CD2-CD1 4.08Å; L167-F292 HydrophobicContact CD2-CE1 4.21Å; D288-F292 HydrophobicContact CB-CE2 4.06Å; D288-F292 HydrophobicContact CB-CZ 4.35Å; D288-F292 VanDerWaalsContact O-CD2 3.23Å; D288-F292 WeakPolarHBondContact O-CD2 3.41Å; D288-F292 VanDerWaalsContact O-CG 3.31Å; D288-F292 WeakPolarHBondContact O-CG 3.43Å; D288-F292 PolarHBondContact O-N 2.94Å; L289-F292 PolarHBondContact O-N 3.41Å; F292-C294 VanDerWaalsContact C-N 3.31Å; F292-C294 PolarHBondContact O-N 3.48Å; F292-M295 HydrophobicContact CD1-CE 4.29Å; F292-M295 WeakPolarHBondContact O-CB 3.45Å; F292-M295 PolarHBondContact O-N 3.26Å; F292-N296 WeakPolarHBondContact O-CB 3.43Å; F292-N296 PolarHBondContact O-N 2.82Å; F292-N296 PolarHBondContact O-OD1 2.88Å; F292-V359 HydrophobicContact CE1-CG1 3.98Å; F292-V359 HydrophobicContact CZ-CG1 3.87Å; F292-Y362 HydrophobicContact CE1-CD1 4.32Å; F292-M415 HydrophobicContact CE1-SD 3.72Å; F292-M415 HydrophobicContact CZ-CE 4.32Å; F292-M415 HydrophobicContact CZ-SD 3.69Å
293M98.9Very high98.7Very high2 Ų26.7 Ų6.71%0.013%0.032CC..Hα-helixtrans-63.8-37.8177.1-70.1-53.3-59.400112.4P166 F196 W199 F214 L289 N296 A297P166-M293 HydrophobicContact CG-SD 3.79Å; F196-M293 HydrophobicContact CD2-CE 3.64Å; F196-M293 HydrophobicContact CE2-CE 3.48Å; F196-M293 VanDerWaalsContact CE2-CE 3.48Å; F196-M293 HydrophobicContact CG-CE 4.27Å; F196-M293 HydrophobicContact CZ-CE 4Å; W199-M293 HydrophobicContact CB-CE 3.38Å; W199-M293 HydrophobicContact CB-SD 3.72Å; W199-M293 HydrophobicContact CD2-SD 4.03Å; W199-M293 HydrophobicContact CG-CE 3.93Å; W199-M293 HydrophobicContact CG-SD 3.62Å; F214-M293 HydrophobicContact CB-CG 4.3Å; F214-M293 HydrophobicContact CD1-CE 4.39Å; F214-M293 HydrophobicContact CD1-CG 4.07Å; F214-M293 HydrophobicContact CD2-CB 3.67Å; F214-M293 HydrophobicContact CD2-CG 3.68Å; F214-M293 HydrophobicContact CE1-CE 3.85Å; F214-M293 HydrophobicContact CE1-CG 4.3Å; F214-M293 HydrophobicContact CE2-CB 3.63Å; F214-M293 HydrophobicContact CE2-CE 4.47Å; F214-M293 HydrophobicContact CE2-CG 3.95Å; F214-M293 HydrophobicContact CG-CB 4.28Å; F214-M293 HydrophobicContact CG-CG 3.74Å; F214-M293 HydrophobicContact CZ-CB 4.18Å; F214-M293 HydrophobicContact CZ-CE 3.9Å; F214-M293 HydrophobicContact CZ-CG 4.25Å; L289-M293 HydrophobicContact CD1-CG 4.2Å; L289-M293 WeakPolarHBondContact O-CG 3.36Å; L289-M293 PolarHBondContact O-N 3.31Å; M293-N296 PolarHBondContact O-N 3.02Å; M293-A297 PolarHBondContact O-N 2.83Å; M293-A297 VanDerWaalsContact O-N 3.08Å
294C98.9Very high98.8Very high0 Ų06.2 Ų6.20%03%0.028CC..Hα-helixtrans-63.8-45.3172.5176.20000112.2N290 S291 F292 N296 A297 R298 A323 C365N290-C294 VanDerWaalsContact O-CB 3.32Å; N290-C294 WeakPolarHBondContact O-CB 3.26Å; N290-C294 PolarHBondContact O-N 3.5Å; S291-C294 PolarHBondContact O-N 3.43Å; F292-C294 VanDerWaalsContact C-N 3.31Å; F292-C294 PolarHBondContact O-N 3.48Å; C294-N296 VanDerWaalsContact C-N 3.34Å; C294-N296 PolarHBondContact O-N 3.23Å; C294-A297 PolarHBondContact O-N 2.87Å; C294-R298 PolarHBondContact O-N 3.05Å; C294-R298 VanDerWaalsContact O-N 3.17Å; C294-A323 HydrophobicContact CB-CB 3.64Å; C294-C365 HydrophobicContact CB-CB 3.8Å; C294-C365 WeakPolarHBondContact CB-SG 3.49Å; C294-C365 WeakPolarHBondContact SG-CB 3.32Å; C294-C365 CovalentContact SG-SG 2.03Å; C294-C365 PolarHBondContact SG-SG 2.75Å
295M98.8Very high98.7Very high0 Ų011.7 Ų11.70%05%0.052CC..Hα-helixtrans-59.3-45.8175179.617764.800111L167 R170 S291 F292 A297 R298 L299 Y362 C365L167-M295 HydrophobicContact CD2-CE 4.05Å; R170-M295 HydrophobicContact CB-CE 4.01Å; R170-M295 HydrophobicContact CG-CE 4.21Å; S291-M295 PolarHBondContact O-N 3.23Å; F292-M295 HydrophobicContact CD1-CE 4.29Å; F292-M295 WeakPolarHBondContact O-CB 3.45Å; F292-M295 PolarHBondContact O-N 3.26Å; M295-A297 VanDerWaalsContact C-N 3.31Å; M295-A297 PolarHBondContact O-N 3.37Å; M295-R298 WeakPolarHBondContact O-CB 3.35Å; M295-R298 PolarHBondContact O-N 2.98Å; M295-L299 HydrophobicContact CG-CD1 3.83Å; M295-L299 HydrophobicContact CG-CG 4.04Å; M295-L299 WeakPolarHBondContact O-CG 3.48Å; M295-L299 PolarHBondContact O-N 2.81Å; M295-L299 HydrophobicContact SD-CD1 4.36Å; M295-Y362 HydrophobicContact CE-CE1 4.08Å; M295-Y362 HydrophobicContact SD-CE1 4.11Å; M295-C365 PolarHBondContact N-SG 2.99Å
296N98.9Very high98.6Very high1 Ų117.6 Ų17.61%0.0058%0.078CC..Hα-helixtrans-60.2-40.4-179.7-73.1-8.5000112P166 I169 F196 F292 M293 C294 R298 L299 L300P166-N296 PolarHBondContact O-ND2 3.38Å; I169-N296 HydrophobicContact CD1-CB 3.71Å; F196-N296 HydrophobicContact CD2-CB 3.93Å; F196-N296 HydrophobicContact CE2-CB 3.95Å; F292-N296 WeakPolarHBondContact O-CB 3.43Å; F292-N296 PolarHBondContact O-N 2.82Å; F292-N296 PolarHBondContact O-OD1 2.88Å; M293-N296 PolarHBondContact O-N 3.02Å; C294-N296 VanDerWaalsContact C-N 3.34Å; C294-N296 PolarHBondContact O-N 3.23Å; N296-R298 PolarHBondContact O-N 2.79Å; N296-L299 PolarHBondContact O-N 3.03Å; N296-L300 WeakPolarHBondContact O-CB 3.33Å; N296-L300 WeakPolarHBondContact O-CG 3.34Å; N296-L300 PolarHBondContact O-N 2.85Å
297A98.9Very high98.5Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-61.4-43.9173.500000111.8F196 M293 C294 M295 A301 F320F196-A297 HydrophobicContact CE2-CB 4.06Å; F196-A297 HydrophobicContact CZ-CB 3.92Å; M293-A297 PolarHBondContact O-N 2.83Å; M293-A297 VanDerWaalsContact O-N 3.08Å; C294-A297 PolarHBondContact O-N 2.87Å; M295-A297 VanDerWaalsContact C-N 3.31Å; M295-A297 PolarHBondContact O-N 3.37Å; A297-A301 WeakPolarHBondContact O-CB 3.42Å; A297-A301 PolarHBondContact O-N 3.38Å; A297-F320 HydrophobicContact CB-CB 4.03Å
298R98.7Very high98.4Very high44 Ų4422.5 Ų22.517%0.16612%0.116CC..Hα-helixtrans-61.4-48.8176.3-178.6172.757.374.5-1.4111.8C294 M295 N296 A301 E302 F320 S363C294-R298 PolarHBondContact O-N 3.05Å; C294-R298 VanDerWaalsContact O-N 3.17Å; M295-R298 WeakPolarHBondContact O-CB 3.35Å; M295-R298 PolarHBondContact O-N 2.98Å; N296-R298 PolarHBondContact O-N 2.79Å; R298-A301 WeakPolarHBondContact O-CB 3.35Å; R298-A301 PolarHBondContact O-N 2.9Å; R298-E302 VanDerWaalsContact CG-OE1 3.24Å; R298-E302 WeakPolarHBondContact CG-OE1 3.18Å; R298-E302 IonicContact CZ-OE1 3.38Å; R298-E302 IonicContact NH1-OE1 3.08Å; R298-E302 PolarHBondContact NH1-OE1 3.01Å; R298-E302 IonicContact NH1-OE2 3.17Å; R298-E302 WeakPolarHBondContact O-CG 3.47Å; R298-E302 PolarHBondContact O-N 2.85Å; R298-F320 HydrophobicContact CB-CB 4.42Å; R298-F320 HydrophobicContact CB-CD1 4.44Å; R298-F320 HydrophobicContact CB-CD2 3.64Å; R298-F320 HydrophobicContact CB-CE2 3.95Å; R298-F320 HydrophobicContact CB-CG 3.91Å; R298-F320 HydrophobicContact CB-CZ 4.47Å; R298-F320 HydrophobicContact CG-CD2 4.38Å; R298-F320 HydrophobicContact CG-CE1 4.49Å; R298-F320 HydrophobicContact CG-CE2 4.32Å; R298-F320 HydrophobicContact CG-CG 4.48Å; R298-F320 HydrophobicContact CG-CZ 4.38Å; R298-S363 PolarHBondContact NH2-O 3.23Å
299L98.8Very high98.3Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-66-39.1-177.9-63.5-177.7000111.9I169 R170 Y173 M295 N296 A301 E302 L303I169-L299 HydrophobicContact CG2-CB 3.61Å; I169-L299 HydrophobicContact CG2-CD1 4.24Å; R170-L299 HydrophobicContact CB-CD1 4.08Å; Y173-L299 HydrophobicContact CD1-CD2 4.01Å; Y173-L299 HydrophobicContact CD2-CD2 3.75Å; Y173-L299 HydrophobicContact CE1-CD2 4.25Å; Y173-L299 HydrophobicContact CE2-CD2 3.99Å; Y173-L299 HydrophobicContact CG-CD1 4.39Å; Y173-L299 HydrophobicContact CG-CD2 3.77Å; M295-L299 HydrophobicContact CG-CD1 3.83Å; M295-L299 HydrophobicContact CG-CG 4.04Å; M295-L299 WeakPolarHBondContact O-CG 3.48Å; M295-L299 PolarHBondContact O-N 2.81Å; M295-L299 HydrophobicContact SD-CD1 4.36Å; N296-L299 PolarHBondContact O-N 3.03Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-A301 PolarHBondContact O-N 3.44Å; L299-E302 PolarHBondContact O-N 3.17Å; L299-L303 WeakPolarHBondContact O-CB 3.41Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 3.41Å
300L98.9Very high98.3Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-61.4-41.2172.7-80.1171.2000111.9I169 M189 M192 E193 F196 N296 N304 Y316I169-L300 HydrophobicContact CD1-CD1 3.73Å; I169-L300 HydrophobicContact CD1-CD2 4.26Å; I169-L300 HydrophobicContact CD1-CG 3.86Å; I169-L300 HydrophobicContact CG1-CD2 4.45Å; I169-L300 HydrophobicContact CG1-CG 4.44Å; I169-L300 HydrophobicContact CG2-CG 4.24Å; M189-L300 HydrophobicContact SD-CD2 3.91Å; M192-L300 HydrophobicContact CB-CD2 3.83Å; E193-L300 HydrophobicContact CG-CD2 4.4Å; F196-L300 HydrophobicContact CB-CD1 3.85Å; F196-L300 HydrophobicContact CD1-CD1 4.47Å; F196-L300 HydrophobicContact CD2-CD1 3.8Å; F196-L300 HydrophobicContact CE2-CD1 4.49Å; F196-L300 HydrophobicContact CG-CD1 3.78Å; N296-L300 WeakPolarHBondContact O-CB 3.33Å; N296-L300 WeakPolarHBondContact O-CG 3.34Å; N296-L300 PolarHBondContact O-N 2.85Å; L300-N304 VanDerWaalsContact O-CB 3.26Å; L300-N304 WeakPolarHBondContact O-CB 3.43Å; L300-N304 PolarHBondContact O-N 3.02Å; L300-N304 PolarHBondContact O-ND2 3.03Å; L300-Y316 HydrophobicContact CB-CD1 3.98Å; L300-Y316 HydrophobicContact CB-CD2 3.9Å; L300-Y316 HydrophobicContact CB-CE1 4.46Å; L300-Y316 HydrophobicContact CB-CE2 4.4Å; L300-Y316 HydrophobicContact CB-CG 3.7Å; L300-Y316 HydrophobicContact CD1-CD1 3.85Å; L300-Y316 HydrophobicContact CD1-CE1 3.65Å; L300-Y316 HydrophobicContact CD1-CG 4.39Å
301A98.8Very high98.3Very high4 Ų435.8 Ų35.83%0.03319%0.187CC..Hα-helixtrans-62.8-47.717600000111.2A297 R298 L299 K305 W313 D317A297-A301 WeakPolarHBondContact O-CB 3.42Å; A297-A301 PolarHBondContact O-N 3.38Å; R298-A301 WeakPolarHBondContact O-CB 3.35Å; R298-A301 PolarHBondContact O-N 2.9Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-A301 PolarHBondContact O-N 3.44Å; A301-K305 WeakPolarHBondContact O-CB 3.48Å; A301-K305 PolarHBondContact O-N 2.77Å; A301-W313 VanDerWaalsContact O-CD1 3.3Å; A301-D317 HydrophobicContact CB-CB 4.13Å
302E98.4Very high98.3Very high62 Ų6238.8 Ų38.829%0.2920%0.2SC..Hα-helixtrans-60.8-47.6179.2-72.3175-15700112.2Y173 R298 L299 K305 K306Y173-E302 VanDerWaalsContact CE2-OE2 3.28Å; Y173-E302 WeakPolarHBondContact CE2-OE2 3.49Å; Y173-E302 PolarHBondContact OH-OE2 3.23Å; R298-E302 VanDerWaalsContact CG-OE1 3.24Å; R298-E302 WeakPolarHBondContact CG-OE1 3.18Å; R298-E302 IonicContact CZ-OE1 3.38Å; R298-E302 IonicContact NH1-OE1 3.08Å; R298-E302 PolarHBondContact NH1-OE1 3.01Å; R298-E302 IonicContact NH1-OE2 3.17Å; R298-E302 WeakPolarHBondContact O-CG 3.47Å; R298-E302 PolarHBondContact O-N 2.85Å; L299-E302 PolarHBondContact O-N 3.17Å; E302-K305 PolarHBondContact O-N 2.75Å; E302-K306 WeakPolarHBondContact O-CG 3.42Å; E302-K306 PolarHBondContact O-N 3.32Å; E302-K306 VanDerWaalsContact O-N 3.07Å
303L98.4Very high98.2Very high1 Ų142.6 Ų42.61%0.00521%0.214CC..Hα-helixtrans-66-46.3179.3-69.2171.6000111.5Y173 A185 M189 M192 L299 K305 K306 I307Y173-L303 HydrophobicContact CD2-CD2 4.02Å; Y173-L303 HydrophobicContact CD2-CG 4.12Å; A185-L303 HydrophobicContact CB-CD2 4.36Å; M189-L303 HydrophobicContact CE-CB 3.7Å; M192-L303 HydrophobicContact CE-CD1 4Å; M192-L303 HydrophobicContact SD-CD1 4.04Å; L299-L303 WeakPolarHBondContact O-CB 3.41Å; L299-L303 WeakPolarHBondContact O-CG 3.3Å; L299-L303 PolarHBondContact O-N 3.41Å; L303-K305 VanDerWaalsContact C-N 3.27Å; L303-K305 PolarHBondContact O-N 2.71Å; L303-K306 PolarHBondContact O-N 3.28Å; L303-K306 VanDerWaalsContact O-N 3.09Å; L303-I307 WeakPolarHBondContact O-CG1 3.35Å; L303-I307 PolarHBondContact O-N 3.07Å
304N98.4Very high98.2Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-58.4-40.2176.4-86.7-71.4000112.1M189 L300 I307 G308 N309 K312 W313M189-N304 PolarHBondContact SD-ND2 3.47Å; L300-N304 VanDerWaalsContact O-CB 3.26Å; L300-N304 WeakPolarHBondContact O-CB 3.43Å; L300-N304 PolarHBondContact O-N 3.02Å; L300-N304 PolarHBondContact O-ND2 3.03Å; N304-I307 WeakPolarHBondContact O-CG1 3.12Å; N304-I307 PolarHBondContact O-N 3.45Å; N304-G308 PolarHBondContact O-N 3.19Å; N304-N309 HydrophobicContact CB-CB 4.25Å; N304-N309 PolarHBondContact O-N 3.44Å; N304-N309 WeakPolarHBondContact OD1-CB 3.31Å; N304-N309 PolarHBondContact OD1-ND2 2.93Å; N304-K312 HydrophobicContact CB-CB 4.07Å; N304-K312 WeakPolarHBondContact OD1-CB 3.31Å; N304-W313 HydrophobicContact CB-CB 4.26Å
305K98.1Very high98.2Very high117 Ų11751.9 Ų51.951%0.50926%0.257SS..Hα-helixtrans-62.3-43.8175.4-171.2175.9-176.7173.80111.7A301 E302 L303 G308 W313A301-K305 WeakPolarHBondContact O-CB 3.48Å; A301-K305 PolarHBondContact O-N 2.77Å; E302-K305 PolarHBondContact O-N 2.75Å; L303-K305 VanDerWaalsContact C-N 3.27Å; L303-K305 PolarHBondContact O-N 2.71Å; K305-G308 PolarHBondContact O-N 3.02Å; K305-W313 HydrophobicContact CB-CB 4.06Å; K305-W313 HydrophobicContact CB-CG 3.81Å; K305-W313 HydrophobicContact CD-CD2 4.35Å; K305-W313 HydrophobicContact CD-CG 4.36Å; K305-W313 HydrophobicContact CG-CD2 4.45Å; K305-W313 HydrophobicContact CG-CG 4.23Å
306K96.5Very high98.2Very high124 Ų12452 Ų5254%0.53926%0.257SS..Hα-helixtrans-66.4-35.2-179.4-74.9-168177.7-170.10113F182 E302 L303 G308F182-K306 HydrophobicContact CD1-CB 4.2Å; F182-K306 HydrophobicContact CD1-CD 4.33Å; F182-K306 HydrophobicContact CE1-CB 3.94Å; F182-K306 HydrophobicContact CE1-CD 3.29Å; F182-K306 HydrophobicContact CE1-CG 4.26Å; F182-K306 HydrophobicContact CZ-CD 3.5Å; F182-K306 VanDerWaalsContact CZ-CD 3.5Å; E302-K306 WeakPolarHBondContact O-CG 3.42Å; E302-K306 PolarHBondContact O-N 3.32Å; E302-K306 VanDerWaalsContact O-N 3.07Å; L303-K306 PolarHBondContact O-N 3.28Å; L303-K306 VanDerWaalsContact O-N 3.09Å; K306-G308 VanDerWaalsContact C-N 3.28Å; K306-G308 PolarHBondContact O-N 3.4Å
307I96.1Very high98.2Very high49 Ų4953.7 Ų53.725%0.25127%0.266SS..THydrogen-bonded Turntrans-85.83.3176.970.6171.3000113.3T186 M189 L303 N304 N309T186-I307 VanDerWaalsContact OG1-CG2 3.28Å; T186-I307 WeakPolarHBondContact OG1-CG2 3.48Å; M189-I307 HydrophobicContact CB-CD1 4.46Å; M189-I307 HydrophobicContact CE-CD1 3.67Å; M189-I307 HydrophobicContact CG-CD1 4.26Å; L303-I307 WeakPolarHBondContact O-CG1 3.35Å; L303-I307 PolarHBondContact O-N 3.07Å; N304-I307 WeakPolarHBondContact O-CG1 3.12Å; N304-I307 PolarHBondContact O-N 3.45Å; I307-N309 HydrophobicContact CD1-CB 4.47Å; I307-N309 HydrophobicContact CG1-CB 4.23Å
308G96.6Very high98.2Very high54 Ų5458.6 Ų58.656%0.55729%0.289SS*.THydrogen-bonded Turntrans84.29.517600000115.8N304 K305 K306 L310N304-G308 PolarHBondContact O-N 3.19Å; K305-G308 PolarHBondContact O-N 3.02Å; K306-G308 VanDerWaalsContact C-N 3.28Å; K306-G308 PolarHBondContact O-N 3.4Å; G308-L310 PolarHBondContact O-N 2.91Å; G308-L310 VanDerWaalsContact O-N 3.15Å
309N97.5Very high98.2Very high59 Ų5959.1 Ų59.132%0.31629%0.291SS..  trans-87.176.9177.5-168.3-8.6000111.4N304 I307 D311 K312 W313N304-N309 HydrophobicContact CB-CB 4.25Å; N304-N309 PolarHBondContact O-N 3.44Å; N304-N309 WeakPolarHBondContact OD1-CB 3.31Å; N304-N309 PolarHBondContact OD1-ND2 2.93Å; I307-N309 HydrophobicContact CD1-CB 4.47Å; I307-N309 HydrophobicContact CG1-CB 4.23Å; N309-D311 PolarHBondContact O-N 2.96Å; N309-K312 HydrophobicContact CB-CB 4.42Å; N309-K312 WeakPolarHBondContact ND2-CG 3.4Å; N309-K312 PolarHBondContact O-N 3.45Å; N309-K312 WeakPolarHBondContact OD1-CG 3.45Å; N309-K312 PolarHBondContact OD1-N 2.9Å; N309-W313 PolarHBondContact O-N 3.41Å
310L98.1Very high98.2Very high99 Ų9960.6 Ų60.652%0.51830%0.298SS..Hα-helixtrans-66.3-36.6-170.6-61.6-177.7000113.8G308 K312 W313 E314G308-L310 PolarHBondContact O-N 2.91Å; G308-L310 VanDerWaalsContact O-N 3.15Å; L310-K312 PolarHBondContact O-N 3.35Å; L310-W313 HydrophobicContact CB-CE3 4.46Å; L310-W313 HydrophobicContact CD2-CE3 4.23Å; L310-W313 WeakPolarHBondContact O-CB 3.33Å; L310-W313 PolarHBondContact O-N 3.36Å; L310-E314 PolarHBondContact O-N 2.91Å
311D98.4Very high98.2Very high133 Ų13365.9 Ų65.971%0.71132%0.321SS*.Hα-helixtrans-64.3-42.4178.4-65.6-15.8000111.3N309 E314 K315N309-D311 PolarHBondContact O-N 2.96Å; D311-E314 PolarHBondContact O-N 3.22Å; D311-K315 PolarHBondContact O-N 3.24Å; D311-K315 VanDerWaalsContact O-N 3.11Å
312K98.4Very high98.2Very high63 Ų6367.3 Ų67.327%0.27433%0.327SS..Hα-helixtrans-70.1-37.2175-68.1-62-171.5115.50111.8E193 N304 N309 L310 E314 K315 Y316E193-K312 WeakPolarHBondContact OE1-CD 3.5Å; E193-K312 IonicContact OE1-NZ 3.07Å; E193-K312 PolarHBondContact OE1-NZ 3.06Å; E193-K312 IonicContact OE2-NZ 2.64Å; E193-K312 PolarHBondContact OE2-NZ 3.27Å; N304-K312 HydrophobicContact CB-CB 4.07Å; N304-K312 WeakPolarHBondContact OD1-CB 3.31Å; N309-K312 HydrophobicContact CB-CB 4.42Å; N309-K312 WeakPolarHBondContact ND2-CG 3.4Å; N309-K312 PolarHBondContact O-N 3.45Å; N309-K312 WeakPolarHBondContact OD1-CG 3.45Å; N309-K312 PolarHBondContact OD1-N 2.9Å; L310-K312 PolarHBondContact O-N 3.35Å; K312-E314 VanDerWaalsContact C-N 3.34Å; K312-E314 PolarHBondContact O-N 3.33Å; K312-K315 HydrophobicContact CD-CD 4.43Å; K312-K315 PolarHBondContact O-N 3.26Å; K312-Y316 HydrophobicContact CB-CD2 4.33Å; K312-Y316 HydrophobicContact CB-CE2 4.28Å; K312-Y316 HydrophobicContact CD-CE2 4.27Å; K312-Y316 WeakPolarHBondContact O-CD2 3.12Å; K312-Y316 PolarHBondContact O-N 3.35Å
313W98.7Very high98.2Very high82 Ų8264.7 Ų64.731%0.31132%0.316SS..Hα-helixtrans-54.8-50.6171.8158.762.2000111.2A301 N304 K305 N309 L310 K315 Y316 D317A301-W313 VanDerWaalsContact O-CD1 3.3Å; N304-W313 HydrophobicContact CB-CB 4.26Å; K305-W313 HydrophobicContact CB-CB 4.06Å; K305-W313 HydrophobicContact CB-CG 3.81Å; K305-W313 HydrophobicContact CD-CD2 4.35Å; K305-W313 HydrophobicContact CD-CG 4.36Å; K305-W313 HydrophobicContact CG-CD2 4.45Å; K305-W313 HydrophobicContact CG-CG 4.23Å; N309-W313 PolarHBondContact O-N 3.41Å; L310-W313 HydrophobicContact CB-CE3 4.46Å; L310-W313 HydrophobicContact CD2-CE3 4.23Å; L310-W313 WeakPolarHBondContact O-CB 3.33Å; L310-W313 PolarHBondContact O-N 3.36Å; W313-K315 PolarHBondContact O-N 3.26Å; W313-Y316 PolarHBondContact O-N 3.39Å; W313-D317 VanDerWaalsContact O-CB 3.22Å; W313-D317 WeakPolarHBondContact O-CB 3.43Å; W313-D317 PolarHBondContact O-N 3.17Å
314E98.8Very high98.2Very high130 Ų13066.6 Ų66.661%0.60733%0.325SS*.Hα-helixtrans-61.4-43.6179.9-174.6173.4-163.800111.8L310 D311 K312 Y316 D317 H318L310-E314 PolarHBondContact O-N 2.91Å; D311-E314 PolarHBondContact O-N 3.22Å; K312-E314 VanDerWaalsContact C-N 3.34Å; K312-E314 PolarHBondContact O-N 3.33Å; E314-Y316 PolarHBondContact O-N 2.68Å; E314-D317 PolarHBondContact O-N 3.29Å; E314-H318 WeakPolarHBondContact O-CB 3.34Å; E314-H318 PolarHBondContact O-N 3.23Å
315K98.7Very high98.2Very high68 Ų6872.6 Ų72.630%0.29635%0.351SS..Hα-helixtrans-56.2-52.4175.7179.7-171.4173.7-167.70112D311 K312 W313 H318 Y319D311-K315 PolarHBondContact O-N 3.24Å; D311-K315 VanDerWaalsContact O-N 3.11Å; K312-K315 HydrophobicContact CD-CD 4.43Å; K312-K315 PolarHBondContact O-N 3.26Å; W313-K315 PolarHBondContact O-N 3.26Å; K315-H318 WeakPolarHBondContact O-CB 3.45Å; K315-H318 PolarHBondContact O-N 3.35Å; K315-Y319 WeakPolarHBondContact CE-OH 2.96Å; K315-Y319 HydrophobicContact CG-CE2 4.24Å; K315-Y319 PolarHBondContact O-N 2.99Å; K315-Y319 VanDerWaalsContact O-N 3.08Å
316Y98.8Very high98.2Very high1 Ų167.1 Ų67.10%0.00433%0.327CS..Hα-helixtrans-75.5-30.2-175.9-70.1-64.6000112.6E193 F196 L300 K312 W313 E314 H318 Y319 F320E193-Y316 WeakPolarHBondContact CB-OH 2.99Å; E193-Y316 HydrophobicContact CG-CE2 4.01Å; E193-Y316 VanDerWaalsContact CG-OH 3.26Å; E193-Y316 WeakPolarHBondContact CG-OH 3.32Å; E193-Y316 WeakPolarHBondContact OE1-CE2 3.34Å; F196-Y316 AromaticContact CD1-CE1 3.97Å; F196-Y316 HydrophobicContact CD1-CE1 3.97Å; F196-Y316 HydrophobicContact CE1-CD1 4.47Å; F196-Y316 HydrophobicContact CE1-CE1 4.22Å; F196-Y316 HydrophobicContact CG-CE1 4.49Å; L300-Y316 HydrophobicContact CB-CD1 3.98Å; L300-Y316 HydrophobicContact CB-CD2 3.9Å; L300-Y316 HydrophobicContact CB-CE1 4.46Å; L300-Y316 HydrophobicContact CB-CE2 4.4Å; L300-Y316 HydrophobicContact CB-CG 3.7Å; L300-Y316 HydrophobicContact CD1-CD1 3.85Å; L300-Y316 HydrophobicContact CD1-CE1 3.65Å; L300-Y316 HydrophobicContact CD1-CG 4.39Å; K312-Y316 HydrophobicContact CB-CD2 4.33Å; K312-Y316 HydrophobicContact CB-CE2 4.28Å; K312-Y316 HydrophobicContact CD-CE2 4.27Å; K312-Y316 WeakPolarHBondContact O-CD2 3.12Å; K312-Y316 PolarHBondContact O-N 3.35Å; W313-Y316 PolarHBondContact O-N 3.39Å; E314-Y316 PolarHBondContact O-N 2.68Å; Y316-H318 VanDerWaalsContact C-N 3.32Å; Y316-Y319 AromaticContact CD1-CD2 3.97Å; Y316-Y319 HydrophobicContact CD1-CD2 3.97Å; Y316-Y319 HydrophobicContact CE1-CD2 4.26Å; Y316-Y319 HydrophobicContact CE1-CE2 4.48Å; Y316-Y319 PolarHBondContact O-N 2.92Å; Y316-F320 WeakPolarHBondContact O-CB 3.38Å; Y316-F320 PolarHBondContact O-N 3.2Å
317D98.8Very high98.3Very high37 Ų3761.3 Ų61.320%0.19830%0.302CS..Hα-helixtrans-63.9-39.5170.8-178.773000111.2A301 W313 E314 F320 K321A301-D317 HydrophobicContact CB-CB 4.13Å; W313-D317 VanDerWaalsContact O-CB 3.22Å; W313-D317 WeakPolarHBondContact O-CB 3.43Å; W313-D317 PolarHBondContact O-N 3.17Å; E314-D317 PolarHBondContact O-N 3.29Å; D317-F320 PolarHBondContact O-N 3.14Å; D317-K321 WeakPolarHBondContact O-CG 3.17Å; D317-K321 PolarHBondContact O-N 3.48Å; D317-K321 WeakPolarHBondContact OD2-CE 3.41Å; D317-K321 IonicContact OD2-NZ 2.65Å; D317-K321 PolarHBondContact OD2-NZ 2.99Å
318H98.7Very high98.4Very high104 Ų10465 Ų6548%0.48132%0.316SS..Hα-helixtrans-61.4-46.8171.9-176.872.5000111.8E314 K315 Y316 F320 K321 L322E314-H318 WeakPolarHBondContact O-CB 3.34Å; E314-H318 PolarHBondContact O-N 3.23Å; K315-H318 WeakPolarHBondContact O-CB 3.45Å; K315-H318 PolarHBondContact O-N 3.35Å; Y316-H318 VanDerWaalsContact C-N 3.32Å; H318-F320 PolarHBondContact O-N 3.21Å; H318-K321 PolarHBondContact O-N 3.36Å; H318-L322 WeakPolarHBondContact NE2-CD1 3.4Å; H318-L322 PolarHBondContact O-N 3.3Å; H318-L322 VanDerWaalsContact O-N 3.08Å
319Y98.7Very high98.4Very high54 Ų5470.2 Ų70.221%0.21232%0.32CS..Hα-helixtrans-60.7-42.6175.7-71.1-3.8000112.3F196 L200 W211 K315 Y316 K321 L322 A323F196-Y319 AromaticContact CE1-CD2 3.79Å; F196-Y319 HydrophobicContact CE1-CD2 3.79Å; F196-Y319 HydrophobicContact CE1-CE2 4.26Å; F196-Y319 HydrophobicContact CZ-CD2 4.38Å; L200-Y319 HydrophobicContact CD1-CE2 4Å; W211-Y319 HydrophobicContact CH2-CD2 4.47Å; W211-Y319 HydrophobicContact CH2-CG 4.04Å; W211-Y319 AromaticContact CZ2-CD1 3.76Å; W211-Y319 HydrophobicContact CZ2-CD1 3.76Å; W211-Y319 HydrophobicContact CZ2-CD2 4.07Å; W211-Y319 HydrophobicContact CZ2-CE1 4.32Å; W211-Y319 AromaticContact CZ2-CG 3.62Å; W211-Y319 HydrophobicContact CZ2-CG 3.62Å; K315-Y319 WeakPolarHBondContact CE-OH 2.96Å; K315-Y319 HydrophobicContact CG-CE2 4.24Å; K315-Y319 PolarHBondContact O-N 2.99Å; K315-Y319 VanDerWaalsContact O-N 3.08Å; Y316-Y319 AromaticContact CD1-CD2 3.97Å; Y316-Y319 HydrophobicContact CD1-CD2 3.97Å; Y316-Y319 HydrophobicContact CE1-CD2 4.26Å; Y316-Y319 HydrophobicContact CE1-CE2 4.48Å; Y316-Y319 PolarHBondContact O-N 2.92Å; Y319-K321 PolarHBondContact O-N 2.9Å; Y319-L322 PolarHBondContact O-N 3.2Å; Y319-A323 VanDerWaalsContact O-CB 3.3Å; Y319-A323 WeakPolarHBondContact O-CB 3.48Å; Y319-A323 PolarHBondContact O-N 3.26Å
320F98.8Very high98.5Very high32 Ų3267.5 Ų67.514%0.1431%0.306CS..Hα-helixtrans-58-47.1175.2165.7-120.3000112A297 R298 Y316 D317 H318 L322 A323 K324A297-F320 HydrophobicContact CB-CB 4.03Å; R298-F320 HydrophobicContact CB-CB 4.42Å; R298-F320 HydrophobicContact CB-CD1 4.44Å; R298-F320 HydrophobicContact CB-CD2 3.64Å; R298-F320 HydrophobicContact CB-CE2 3.95Å; R298-F320 HydrophobicContact CB-CG 3.91Å; R298-F320 HydrophobicContact CB-CZ 4.47Å; R298-F320 HydrophobicContact CG-CD2 4.38Å; R298-F320 HydrophobicContact CG-CE1 4.49Å; R298-F320 HydrophobicContact CG-CE2 4.32Å; R298-F320 HydrophobicContact CG-CG 4.48Å; R298-F320 HydrophobicContact CG-CZ 4.38Å; Y316-F320 WeakPolarHBondContact O-CB 3.38Å; Y316-F320 PolarHBondContact O-N 3.2Å; D317-F320 PolarHBondContact O-N 3.14Å; H318-F320 PolarHBondContact O-N 3.21Å; F320-L322 VanDerWaalsContact C-N 3.3Å; F320-L322 PolarHBondContact O-N 3.41Å; F320-A323 PolarHBondContact O-N 3.04Å; F320-K324 HydrophobicContact CE2-CD 4.49Å; F320-K324 HydrophobicContact CZ-CD 4.22Å; F320-K324 WeakPolarHBondContact O-CB 3.43Å; F320-K324 PolarHBondContact O-N 3.33Å
321K98.6Very high98.5Very high111 Ų11162.8 Ų62.848%0.48328%0.281SS..Hα-helixtrans-59.7-40177.4-73.7165.4175.9162.80112.2D317 H318 Y319 K325D317-K321 WeakPolarHBondContact O-CG 3.17Å; D317-K321 PolarHBondContact O-N 3.48Å; D317-K321 WeakPolarHBondContact OD2-CE 3.41Å; D317-K321 IonicContact OD2-NZ 2.65Å; D317-K321 PolarHBondContact OD2-NZ 2.99Å; H318-K321 PolarHBondContact O-N 3.36Å; Y319-K321 PolarHBondContact O-N 2.9Å; K321-K325 WeakPolarHBondContact O-CG 3.48Å; K321-K325 PolarHBondContact O-N 3.29Å
322L98.5Very high98.5Very high33 Ų3357.7 Ų57.717%0.17325%0.252CS..Hα-helixtrans-69.7-47175.6-69.9177.4000111.9W211 H318 Y319 F320 K324 K325 V326W211-L322 HydrophobicContact CB-CB 3.89Å; W211-L322 HydrophobicContact CB-CD1 4.24Å; W211-L322 HydrophobicContact CB-CG 4.48Å; W211-L322 HydrophobicContact CD2-CB 3.75Å; W211-L322 HydrophobicContact CD2-CD1 4.18Å; W211-L322 HydrophobicContact CE3-CB 3.86Å; W211-L322 HydrophobicContact CG-CB 3.81Å; W211-L322 HydrophobicContact CG-CD1 3.8Å; W211-L322 HydrophobicContact CG-CG 4.39Å; H318-L322 WeakPolarHBondContact NE2-CD1 3.4Å; H318-L322 PolarHBondContact O-N 3.3Å; H318-L322 VanDerWaalsContact O-N 3.08Å; Y319-L322 PolarHBondContact O-N 3.2Å; F320-L322 VanDerWaalsContact C-N 3.3Å; F320-L322 PolarHBondContact O-N 3.41Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 3.26Å; L322-K325 WeakPolarHBondContact O-CB 3.42Å; L322-K325 PolarHBondContact O-N 3.24Å; L322-K325 VanDerWaalsContact O-N 3.1Å; L322-V326 PolarHBondContact O-N 3.35Å
323A98.7Very high98.5Very high7 Ų755.7 Ų55.76%0.05824%0.244CC..Hα-helixtrans-55.6-46178.800000111.7W211 C294 Y319 F320 K325 V326 L327W211-A323 HydrophobicContact CE3-CB 4.09Å; W211-A323 HydrophobicContact CZ3-CB 3.54Å; C294-A323 HydrophobicContact CB-CB 3.64Å; Y319-A323 VanDerWaalsContact O-CB 3.3Å; Y319-A323 WeakPolarHBondContact O-CB 3.48Å; Y319-A323 PolarHBondContact O-N 3.26Å; F320-A323 PolarHBondContact O-N 3.04Å; A323-K325 PolarHBondContact O-N 3.47Å; A323-V326 PolarHBondContact O-N 3.05Å; A323-L327 WeakPolarHBondContact O-CB 3.17Å; A323-L327 PolarHBondContact O-N 2.86Å
324K98.4Very high98.5Very high41 Ų4157.5 Ų57.518%0.17826%0.256CS..Hα-helixtrans-61.6-40177.2172.1167.7158.8174.40112.6F320 L322 K328 F366 D367F320-K324 HydrophobicContact CE2-CD 4.49Å; F320-K324 HydrophobicContact CZ-CD 4.22Å; F320-K324 WeakPolarHBondContact O-CB 3.43Å; F320-K324 PolarHBondContact O-N 3.33Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 3.26Å; K324-K328 PolarHBondContact O-N 3Å; K324-K328 VanDerWaalsContact O-N 3.1Å; K324-F366 PolarHBondContact NZ-O 3.43Å; K324-D367 VanDerWaalsContact CE-CG 3.41Å; K324-D367 VanDerWaalsContact CE-OD1 3.3Å; K324-D367 WeakPolarHBondContact CE-OD1 2.96Å; K324-D367 WeakPolarHBondContact CE-OD2 3.36Å; K324-D367 IonicContact NZ-OD1 2.86Å; K324-D367 PolarHBondContact NZ-OD1 3.25Å; K324-D367 IonicContact NZ-OD2 3.25Å; K324-D367 PolarHBondContact NZ-OD2 3.09Å
325K98.2Very high98.4Very high126 Ų12660.1 Ų60.155%0.54827%0.266SS..Hα-helixtrans-65.3-45.1174.7-72.1175.5-177.4-179.10111.6K321 L322 A323 K328 Y329K321-K325 WeakPolarHBondContact O-CG 3.48Å; K321-K325 PolarHBondContact O-N 3.29Å; L322-K325 WeakPolarHBondContact O-CB 3.42Å; L322-K325 PolarHBondContact O-N 3.24Å; L322-K325 VanDerWaalsContact O-N 3.1Å; A323-K325 PolarHBondContact O-N 3.47Å; K325-K328 PolarHBondContact O-N 3.37Å; K325-Y329 WeakPolarHBondContact O-CB 3.39Å; K325-Y329 PolarHBondContact O-N 2.89Å
326V98.5Very high98.4Very high3 Ų359.1 Ų59.12%0.01826%0.264CS..Hα-helixtrans-62.8-45.6176.9172.70000110.9V208 L210 W211 S213 L322 A323 K328 Y329 V330V208-V326 HydrophobicContact CG2-CG2 4.43Å; L210-V326 HydrophobicContact CB-CG2 4.07Å; W211-V326 HydrophobicContact CB-CG2 3.83Å; S213-V326 WeakPolarHBondContact OG-CG1 3.45Å; L322-V326 PolarHBondContact O-N 3.35Å; A323-V326 PolarHBondContact O-N 3.05Å; V326-K328 VanDerWaalsContact C-N 3.3Å; V326-K328 PolarHBondContact O-N 2.72Å; V326-Y329 PolarHBondContact O-N 2.84Å; V326-Y329 VanDerWaalsContact O-N 3.14Å; V326-V330 HydrophobicContact CG1-CG2 3.91Å; V326-V330 WeakPolarHBondContact O-CB 3.34Å; V326-V330 WeakPolarHBondContact O-CG2 3.26Å; V326-V330 PolarHBondContact O-N 3.34Å
327L98.4Very high98.4Very high2 Ų259.1 Ų59.11%0.0126%0.264CS..Hα-helixtrans-58-43.6178.8-173.464.9000111.4N290 A323 H331 W332 P360 C365N290-L327 HydrophobicContact CB-CD1 3.98Å; A323-L327 WeakPolarHBondContact O-CB 3.17Å; A323-L327 PolarHBondContact O-N 2.86Å; L327-H331 HydrophobicContact CD1-CB 4.38Å; L327-H331 WeakPolarHBondContact O-CB 3.48Å; L327-H331 PolarHBondContact O-N 3.19Å; L327-W332 PolarHBondContact O-N 3.29Å; L327-P360 HydrophobicContact CD2-CB 4.47Å; L327-C365 HydrophobicContact CD2-CB 3.65Å
328K98Very high98.3Very high127 Ų12757.4 Ų57.455%0.55226%0.255SS*.Hα-helixtrans-64.9-48.1173.6-175.3176.5-179.1176.90111.9K324 K325 V326 W332K324-K328 PolarHBondContact O-N 3Å; K324-K328 VanDerWaalsContact O-N 3.1Å; K325-K328 PolarHBondContact O-N 3.37Å; V326-K328 VanDerWaalsContact C-N 3.3Å; V326-K328 PolarHBondContact O-N 2.72Å; K328-W332 HydrophobicContact CG-CB 4.37Å; K328-W332 WeakPolarHBondContact O-CB 3.33Å; K328-W332 PolarHBondContact O-N 3.22Å
329Y97.9Very high98.4Very high162 Ų16252.7 Ų52.764%0.63523%0.233SC*.Hα-helixtrans-70-42.2-173.2-171.3-79.1000113V208 L210 K325 V326V208-Y329 HydrophobicContact CB-CD1 4.24Å; V208-Y329 HydrophobicContact CB-CE1 4.22Å; V208-Y329 HydrophobicContact CG1-CD1 3.54Å; V208-Y329 HydrophobicContact CG1-CE1 3.47Å; V208-Y329 VanDerWaalsContact CG1-CE1 3.47Å; V208-Y329 HydrophobicContact CG2-CD1 4.38Å; L210-Y329 HydrophobicContact CD1-CD2 4.45Å; L210-Y329 HydrophobicContact CD1-CG 4.28Å; K325-Y329 WeakPolarHBondContact O-CB 3.39Å; K325-Y329 PolarHBondContact O-N 2.89Å; V326-Y329 PolarHBondContact O-N 2.84Å; V326-Y329 VanDerWaalsContact O-N 3.14Å
330V98.5Very high98.4Very high3 Ų350.4 Ų50.42%0.01822%0.224CC..Hα-helixtrans-85.8-34-172.1177.30000112.6V207 V208 V326 Y342 H349V207-V330 HydrophobicContact CB-CG2 4.3Å; V207-V330 HydrophobicContact CG1-CG1 4.09Å; V207-V330 HydrophobicContact CG1-CG2 4.2Å; V208-V330 HydrophobicContact CG1-CG2 3.79Å; V208-V330 HydrophobicContact CG2-CG2 4.03Å; V326-V330 HydrophobicContact CG1-CG2 3.91Å; V326-V330 WeakPolarHBondContact O-CB 3.34Å; V326-V330 WeakPolarHBondContact O-CG2 3.26Å; V326-V330 PolarHBondContact O-N 3.34Å; V330-Y342 HydrophobicContact CG1-CD2 4.13Å; V330-Y342 HydrophobicContact CG1-CG 3.93Å; V330-H349 PolarHBondContact O-NE2 2.6Å; V330-H349 VanDerWaalsContact O-NE2 3.1Å
331H98.7Very high98.4Very high0 Ų048.9 Ų48.90%022%0.217CC..Hα-helixtrans-114.8-33.8-167.9-61.7-77.7000113.9V285 A287 L327 N333 W339 Y340 H349V285-H331 PolarHBondContact O-CE1 3.44Å; V285-H331 VanDerWaalsContact O-CE1 3.26Å; A287-H331 HydrophobicContact CB-CB 4.22Å; L327-H331 HydrophobicContact CD1-CB 4.38Å; L327-H331 WeakPolarHBondContact O-CB 3.48Å; L327-H331 PolarHBondContact O-N 3.19Å; H331-N333 PolarHBondContact O-N 2.61Å; H331-W339 HydrophobicContact CB-CB 4.13Å; H331-W339 HydrophobicContact CB-CG 4.39Å; H331-W339 CarbonylContact O-C 3.59Å; H331-W339 VanDerWaalsContact O-CA 3.29Å; H331-W339 WeakPolarHBondContact O-CA 3.49Å; H331-Y340 WeakPolarHBondContact CB-O 3.43Å; H331-Y340 PolarHBondContact ND1-O 3.41Å; H331-Y340 PolarHBondContact O-N 2.7Å; H331-H349 PolarHBondContact O-CE1 3.41Å
332W98.5Very high98.4Very high26 Ų2645.5 Ų45.510%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-70.9122.5-175.6179.7-104.7000111.3L327 K328 E334 G337 W339 V372 R375 V376L327-W332 PolarHBondContact O-N 3.29Å; K328-W332 HydrophobicContact CG-CB 4.37Å; K328-W332 WeakPolarHBondContact O-CB 3.33Å; K328-W332 PolarHBondContact O-N 3.22Å; W332-E334 PolarHBondContact NE1-OE2 3.32Å; W332-G337 WeakPolarHBondContact CH2-O 3.23Å; W332-G337 WeakPolarHBondContact CZ3-O 3.33Å; W332-W339 AromaticContact CE3-CD2 3.65Å; W332-W339 HydrophobicContact CE3-CD2 3.65Å; W332-W339 AromaticContact CE3-CE2 3.47Å; W332-W339 VanDerWaalsContact CE3-CE2 3.47Å; W332-W339 HydrophobicContact CE3-CE3 4.12Å; W332-W339 HydrophobicContact CE3-CG 4.09Å; W332-W339 HydrophobicContact CE3-CH2 4.31Å; W332-W339 AromaticContact CE3-CZ2 3.82Å; W332-W339 HydrophobicContact CE3-CZ2 3.82Å; W332-W339 HydrophobicContact CE3-CZ3 4.44Å; W332-W339 AromaticContact CE3-NE1 3.76Å; W332-W339 AromaticContact CZ3-CD2 3.97Å; W332-W339 HydrophobicContact CZ3-CD2 3.97Å; W332-W339 AromaticContact CZ3-CE2 3.91Å; W332-W339 AromaticContact CZ3-CE3 3.95Å; W332-W339 HydrophobicContact CZ3-CE3 3.95Å; W332-W339 AromaticContact CZ3-CH2 3.91Å; W332-W339 HydrophobicContact CZ3-CH2 3.91Å; W332-W339 AromaticContact CZ3-CZ2 3.88Å; W332-W339 HydrophobicContact CZ3-CZ2 3.88Å; W332-W339 AromaticContact CZ3-CZ3 3.95Å; W332-W339 HydrophobicContact CZ3-CZ3 3.95Å; W332-V372 HydrophobicContact CH2-CG1 3.84Å; W332-V372 HydrophobicContact CZ3-CG1 3.91Å; W332-R375 HydrophobicContact CH2-CB 4.33Å; W332-V376 HydrophobicContact CH2-CG2 4.43Å; W332-V376 HydrophobicContact CZ3-CG2 4.15Å
333N98.5Very high98.4Very high21 Ų2144 Ų4411%0.11219%0.194CC..EExtended strand (participates in β ladder)trans-94.6112.8171.8-167.5-81.1000111H331 K335 D336 G337 V338 Y340 H349H331-N333 PolarHBondContact O-N 2.61Å; N333-K335 PolarHBondContact O-N 2.8Å; N333-K335 WeakPolarHBondContact OD1-CB 3.15Å; N333-K335 PolarHBondContact OD1-N 2.66Å; N333-D336 HydrophobicContact CB-CB 4.29Å; N333-D336 PolarHBondContact O-N 2.54Å; N333-D336 PolarHBondContact OD1-N 3.15Å; N333-D336 PolarHBondContact OD1-OD2 3.36Å; N333-G337 WeakPolarHBondContact O-CA 3.17Å; N333-G337 PolarHBondContact O-N 3.31Å; N333-V338 PolarHBondContact N-O 3.23Å; N333-Y340 HydrophobicContact CB-CD2 3.78Å; N333-Y340 HydrophobicContact CB-CE2 3.77Å; N333-H349 PolarHBondContact ND2-ND1 3.48Å
334E97.3Very high98.3Very high120 Ų12045.3 Ų45.356%0.56120%0.199SC*.THydrogen-bonded Turntrans-68.8-19.8-177.2-167.154.3-135.600113.8W332 R375W332-E334 PolarHBondContact NE1-OE2 3.32Å; E334-R375 PolarHBondContact O-NH2 3.11Å; E334-R375 IonicContact OE1-CZ 3.23Å; E334-R375 IonicContact OE1-NH1 3.04Å; E334-R375 PolarHBondContact OE1-NH1 2.93Å; E334-R375 IonicContact OE1-NH2 3.99Å; E334-R375 PolarHBondContact OE1-NH2 3.02Å; E334-R375 IonicContact OE2-NH1 3.76Å
335K97.7Very high98.3Very high184 Ų18448.6 Ų48.680%0.822%0.219SC*.THydrogen-bonded Turntrans-81.8-49.8175.4-178.6-176.1175.4-177.50110.7N333N333-K335 PolarHBondContact O-N 2.8Å; N333-K335 WeakPolarHBondContact OD1-CB 3.15Å; N333-K335 PolarHBondContact OD1-N 2.66Å
336D98.2Very high98.1Very high48 Ų4846.6 Ų46.626%0.25721%0.208SC..THydrogen-bonded Turntrans-86.4-19.2-170-55.6-29.2000111.7N333 V338 Y340 Y379N333-D336 HydrophobicContact CB-CB 4.29Å; N333-D336 PolarHBondContact O-N 2.54Å; N333-D336 PolarHBondContact OD1-N 3.15Å; N333-D336 PolarHBondContact OD1-OD2 3.36Å; D336-V338 HydrophobicContact CB-CG1 4.45Å; D336-Y340 HydrophobicContact CB-CE2 4.11Å; D336-Y340 WeakPolarHBondContact OD2-CE2 3.37Å; D336-Y340 PolarHBondContact OD2-OH 3.11Å; D336-Y379 HydrophobicContact CB-CD2 4.36Å
337G98.2Very high98.1Very high1 Ų154.1 Ų54.11%0.0124%0.24CC..THydrogen-bonded Turntrans73.731.6174.800000113.9W332 N333 R375 V376W332-G337 WeakPolarHBondContact CH2-O 3.23Å; W332-G337 WeakPolarHBondContact CZ3-O 3.33Å; N333-G337 WeakPolarHBondContact O-CA 3.17Å; N333-G337 PolarHBondContact O-N 3.31Å; G337-R375 CarbonylContact O-C 3.3Å; G337-V376 WeakPolarHBondContact O-CG2 3.47Å; G337-V376 PolarHBondContact O-N 3.03Å
338V98.5Very high98Very high0 Ų059 Ų590%026%0.263CS..EExtended strand (participates in β ladder)trans-146.8164-177.480.50000110.7N333 D336 Y340 N357 V376 Y379N333-V338 PolarHBondContact N-O 3.23Å; D336-V338 HydrophobicContact CB-CG1 4.45Å; V338-Y340 HydrophobicContact CG1-CD1 4.29Å; V338-Y340 HydrophobicContact CG1-CD2 4.43Å; V338-Y340 HydrophobicContact CG1-CE1 3.71Å; V338-Y340 HydrophobicContact CG1-CE2 3.9Å; V338-Y340 VanDerWaalsContact CG1-CZ 3.48Å; V338-N357 HydrophobicContact CG2-CB 3.62Å; V338-N357 VanDerWaalsContact CG2-O 3.31Å; V338-N357 WeakPolarHBondContact CG2-O 3.31Å; V338-V376 HydrophobicContact CG2-CG1 4.38Å; V338-Y379 HydrophobicContact CB-CD1 3.72Å; V338-Y379 HydrophobicContact CB-CD2 4.33Å; V338-Y379 HydrophobicContact CB-CE1 4.13Å; V338-Y379 HydrophobicContact CB-CG 3.82Å; V338-Y379 HydrophobicContact CG1-CD1 3.88Å; V338-Y379 HydrophobicContact CG1-CD2 3.98Å; V338-Y379 HydrophobicContact CG1-CE1 3.84Å; V338-Y379 HydrophobicContact CG1-CE2 3.97Å; V338-Y379 HydrophobicContact CG1-CG 3.95Å; V338-Y379 HydrophobicContact CG2-CD1 3.57Å; V338-Y379 HydrophobicContact CG2-CE1 3.88Å; V338-Y379 HydrophobicContact CG2-CG 4.19Å
339W98.8Very high98Very high6 Ų654.5 Ų54.52%0.02324%0.244CC..EExtended strand (participates in β ladder)trans-90.2132.2172.8-61.6-93.7000111.7A287 H331 W332 N357 P360 L361 F366 V372 V376A287-W339 HydrophobicContact CB-CB 3.94Å; H331-W339 HydrophobicContact CB-CB 4.13Å; H331-W339 HydrophobicContact CB-CG 4.39Å; H331-W339 CarbonylContact O-C 3.59Å; H331-W339 VanDerWaalsContact O-CA 3.29Å; H331-W339 WeakPolarHBondContact O-CA 3.49Å; W332-W339 AromaticContact CE3-CD2 3.65Å; W332-W339 HydrophobicContact CE3-CD2 3.65Å; W332-W339 AromaticContact CE3-CE2 3.47Å; W332-W339 VanDerWaalsContact CE3-CE2 3.47Å; W332-W339 HydrophobicContact CE3-CE3 4.12Å; W332-W339 HydrophobicContact CE3-CG 4.09Å; W332-W339 HydrophobicContact CE3-CH2 4.31Å; W332-W339 AromaticContact CE3-CZ2 3.82Å; W332-W339 HydrophobicContact CE3-CZ2 3.82Å; W332-W339 HydrophobicContact CE3-CZ3 4.44Å; W332-W339 AromaticContact CE3-NE1 3.76Å; W332-W339 AromaticContact CZ3-CD2 3.97Å; W332-W339 HydrophobicContact CZ3-CD2 3.97Å; W332-W339 AromaticContact CZ3-CE2 3.91Å; W332-W339 AromaticContact CZ3-CE3 3.95Å; W332-W339 HydrophobicContact CZ3-CE3 3.95Å; W332-W339 AromaticContact CZ3-CH2 3.91Å; W332-W339 HydrophobicContact CZ3-CH2 3.91Å; W332-W339 AromaticContact CZ3-CZ2 3.88Å; W332-W339 HydrophobicContact CZ3-CZ2 3.88Å; W332-W339 AromaticContact CZ3-CZ3 3.95Å; W332-W339 HydrophobicContact CZ3-CZ3 3.95Å; W339-N357 PolarHBondContact N-O 2.89Å; W339-N357 WeakPolarHBondContact O-CA 3.43Å; W339-N357 WeakPolarHBondContact O-CB 3.5Å; W339-N357 PolarHBondContact O-ND2 3.43Å; W339-P360 HydrophobicContact CB-CG 3.89Å; W339-P360 HydrophobicContact CD2-CB 3.52Å; W339-P360 HydrophobicContact CD2-CG 3.67Å; W339-P360 HydrophobicContact CE3-CB 3.59Å; W339-P360 HydrophobicContact CE3-CG 3.81Å; W339-P360 HydrophobicContact CG-CB 4.04Å; W339-P360 HydrophobicContact CG-CG 3.72Å; W339-P360 HydrophobicContact CH2-CB 4.01Å; W339-P360 HydrophobicContact CZ2-CB 3.99Å; W339-P360 HydrophobicContact CZ3-CB 3.81Å; W339-P360 HydrophobicContact CZ3-CG 4.47Å; W339-L361 HydrophobicContact CH2-CD2 4.11Å; W339-L361 HydrophobicContact CZ3-CD2 4.04Å; W339-L361 HydrophobicContact CZ3-CG 4.16Å; W339-F366 AromaticContact CH2-CD1 3.74Å; W339-F366 HydrophobicContact CH2-CD1 3.74Å; W339-F366 AromaticContact CH2-CE1 3.95Å; W339-F366 HydrophobicContact CH2-CE1 3.95Å; W339-F366 HydrophobicContact CH2-CG 4.17Å; W339-F366 HydrophobicContact CH2-CZ 4.48Å; W339-F366 HydrophobicContact CZ2-CB 4.15Å; W339-F366 AromaticContact CZ2-CD1 3.73Å; W339-F366 HydrophobicContact CZ2-CD1 3.73Å; W339-F366 HydrophobicContact CZ2-CE1 4.38Å; W339-F366 HydrophobicContact CZ2-CG 4.03Å; W339-V372 HydrophobicContact CH2-CG1 3.34Å; W339-V372 HydrophobicContact CZ2-CG1 3.88Å; W339-V372 HydrophobicContact CZ3-CG1 4.19Å; W339-V376 HydrophobicContact CE3-CG2 4.18Å; W339-V376 HydrophobicContact CH2-CG2 4.35Å; W339-V376 HydrophobicContact CZ3-CG2 3.57Å
340Y98.8Very high98Very high5 Ų547 Ų472%0.0222%0.215CC..  trans-108.9153.2171.4-68.4-56.4000111.3H331 N333 D336 V338 H349 I350 K351 Y379H331-Y340 WeakPolarHBondContact CB-O 3.43Å; H331-Y340 PolarHBondContact ND1-O 3.41Å; H331-Y340 PolarHBondContact O-N 2.7Å; N333-Y340 HydrophobicContact CB-CD2 3.78Å; N333-Y340 HydrophobicContact CB-CE2 3.77Å; D336-Y340 HydrophobicContact CB-CE2 4.11Å; D336-Y340 WeakPolarHBondContact OD2-CE2 3.37Å; D336-Y340 PolarHBondContact OD2-OH 3.11Å; V338-Y340 HydrophobicContact CG1-CD1 4.29Å; V338-Y340 HydrophobicContact CG1-CD2 4.43Å; V338-Y340 HydrophobicContact CG1-CE1 3.71Å; V338-Y340 HydrophobicContact CG1-CE2 3.9Å; V338-Y340 VanDerWaalsContact CG1-CZ 3.48Å; Y340-H349 HydrophobicContact CD2-CB 3.87Å; Y340-H349 AromaticContact CD2-ND1 3.63Å; Y340-H349 HydrophobicContact CG-CB 4.16Å; Y340-I350 WeakPolarHBondContact CD1-O 3.39Å; Y340-K351 HydrophobicContact CD2-CG 4.18Å; Y340-K351 HydrophobicContact CE2-CB 4.38Å; Y340-K351 HydrophobicContact CE2-CG 3.99Å; Y340-Y379 WeakPolarHBondContact OH-CE2 3.03Å; Y340-Y379 PolarHBondContact OH-OH 3.32Å
341D98.8Very high98Very high0 Ų053 Ų530%024%0.241CC..  trans-64.2150.5161.7-58.4-30.6000109.5R264 I284 V285 P286 A287 I350R264-D341 WeakPolarHBondContact CG-OD2 3.3Å; R264-D341 IonicContact CZ-OD1 2.83Å; R264-D341 IonicContact CZ-OD2 3.69Å; R264-D341 IonicContact NE-OD1 3.63Å; R264-D341 IonicContact NE-OD2 3.78Å; R264-D341 PolarHBondContact NE-OD2 3.3Å; R264-D341 IonicContact NH2-OD1 2.77Å; R264-D341 PolarHBondContact NH2-OD1 3.48Å; R264-D341 IonicContact NH2-OD2 3.41Å; R264-D341 PolarHBondContact NH2-OD2 3.49Å; I284-D341 HydrophobicContact CG2-CB 3.76Å; V285-D341 WeakPolarHBondContact O-CA 3.44Å; P286-D341 WeakPolarHBondContact CA-OD1 3.32Å; A287-D341 PolarHBondContact N-OD1 2.92Å; D341-I350 HydrophobicContact CB-CB 4.29Å; D341-I350 HydrophobicContact CB-CD1 4.01Å; D341-I350 PolarHBondContact O-N 2.95Å
342Y98.8Very high97.8Very high41 Ų4154.4 Ų54.416%0.16125%0.251CS..EExtended strand (participates in β ladder)trans-105.9126.2-179.5-171.7-91.3000110.4V207 I284 V285 V330 L344 K347 H349V207-Y342 HydrophobicContact CG1-CD1 3.89Å; V207-Y342 HydrophobicContact CG1-CE1 3.65Å; I284-Y342 WeakPolarHBondContact CA-O 3.42Å; V285-Y342 PolarHBondContact N-O 3.49Å; V285-Y342 PolarHBondContact O-N 2.87Å; V330-Y342 HydrophobicContact CG1-CD2 4.13Å; V330-Y342 HydrophobicContact CG1-CG 3.93Å; Y342-L344 HydrophobicContact CD1-CD2 4.22Å; Y342-L344 HydrophobicContact CE1-CD2 4.37Å; Y342-K347 VanDerWaalsContact OH-C 3.22Å; Y342-K347 WeakPolarHBondContact OH-CA 3.49Å; Y342-K347 WeakPolarHBondContact OH-CB 3.19Å; Y342-K347 PolarHBondContact OH-O 3.35Å; Y342-H349 AromaticContact CD2-CD2 3.96Å
343D98.4Very high97.8Very high1 Ų154 Ų541%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-86.9111.7176.8-171.9-39.7000109.3R280 D345 R346 K347 E348 I350R280-D343 IonicContact CZ-OD1 3.63Å; R280-D343 IonicContact CZ-OD2 3.5Å; R280-D343 IonicContact NH1-OD1 3.62Å; R280-D343 IonicContact NH1-OD2 2.73Å; R280-D343 PolarHBondContact NH1-OD2 3.37Å; R280-D343 IonicContact NH2-OD1 2.76Å; R280-D343 PolarHBondContact NH2-OD1 3.43Å; R280-D343 IonicContact NH2-OD2 3.39Å; R280-D343 PolarHBondContact NH2-OD2 2.9Å; D343-D345 VanDerWaalsContact C-N 3.34Å; D343-D345 PolarHBondContact O-N 3.18Å; D343-D345 PolarHBondContact OD1-N 3.43Å; D343-D345 VanDerWaalsContact OD1-N 3.07Å; D343-R346 HydrophobicContact CB-CB 4.16Å; D343-R346 PolarHBondContact OD1-N 3.2Å; D343-R346 IonicContact OD2-CZ 3.94Å; D343-R346 IonicContact OD2-NH1 2.9Å; D343-R346 PolarHBondContact OD2-NH1 3.26Å; D343-K347 VanDerWaalsContact O-CA 3.22Å; D343-K347 WeakPolarHBondContact O-CA 3.36Å; D343-K347 PolarHBondContact O-N 2.69Å; D343-E348 PolarHBondContact N-O 3.07Å; D343-E348 PolarHBondContact O-N 2.63Å; D343-I350 HydrophobicContact CB-CD1 4.22Å; D343-I350 HydrophobicContact CB-CG1 4.03Å
344L98.1Very high97.7Very high34 Ų3453 Ų5318%0.17824%0.244CC..THydrogen-bonded Turntrans-66.2-34.2-177.4-69.9172.9000113.1I205 V207 S283 V285 Y342I205-L344 HydrophobicContact CD1-CD1 4.1Å; I205-L344 HydrophobicContact CD1-CD2 4.5Å; V207-L344 HydrophobicContact CG2-CD2 4.02Å; S283-L344 WeakPolarHBondContact O-CB 3.48Å; S283-L344 PolarHBondContact O-N 3.39Å; V285-L344 HydrophobicContact CG2-CD1 3.92Å; V285-L344 HydrophobicContact CG2-CD2 3.68Å; V285-L344 HydrophobicContact CG2-CG 3.79Å; Y342-L344 HydrophobicContact CD1-CD2 4.22Å; Y342-L344 HydrophobicContact CE1-CD2 4.37Å
345D96.7Very high97.7Very high111 Ų11147.3 Ų47.359%0.59422%0.217SC*.THydrogen-bonded Turntrans-77.8-39.1-176.8-58.9-27.9000110.5R280 S283 D343R280-D345 IonicContact CZ-OD2 3.51Å; R280-D345 IonicContact NE-OD2 3.67Å; R280-D345 VanDerWaalsContact NH2-CB 3.34Å; R280-D345 VanDerWaalsContact NH2-CG 3.27Å; R280-D345 IonicContact NH2-OD2 2.65Å; R280-D345 PolarHBondContact NH2-OD2 2.93Å; S283-D345 WeakPolarHBondContact CB-OD2 3.38Å; S283-D345 PolarHBondContact OG-OD2 2.85Å; D343-D345 VanDerWaalsContact C-N 3.34Å; D343-D345 PolarHBondContact O-N 3.18Å; D343-D345 PolarHBondContact OD1-N 3.43Å; D343-D345 VanDerWaalsContact OD1-N 3.07Å
346R96Very high97.8Very high84 Ų8438.6 Ų38.632%0.31718%0.179SC..THydrogen-bonded Turntrans-86.8-16.8178.3-64.4-165.1176.485.110.1114.1R280 D343 E348R280-R346 VanDerWaalsContact NH1-NH1 3.12Å; D343-R346 HydrophobicContact CB-CB 4.16Å; D343-R346 PolarHBondContact OD1-N 3.2Å; D343-R346 IonicContact OD2-CZ 3.94Å; D343-R346 IonicContact OD2-NH1 2.9Å; D343-R346 PolarHBondContact OD2-NH1 3.26Å; R346-E348 VanDerWaalsContact C-N 3.28Å; R346-E348 HydrophobicContact CB-CG 3.72Å; R346-E348 WeakPolarHBondContact CD-OE1 3.32Å; R346-E348 PolarHBondContact O-N 3.16Å
347K96.8Very high97.8Very high160 Ų16036.4 Ų36.470%0.69617%0.168SC*.THydrogen-bonded Turntrans56.939.3-175-57.3-177.2179.6-177.20113.2Y342 D343Y342-K347 VanDerWaalsContact OH-C 3.22Å; Y342-K347 WeakPolarHBondContact OH-CA 3.49Å; Y342-K347 WeakPolarHBondContact OH-CB 3.19Å; Y342-K347 PolarHBondContact OH-O 3.35Å; D343-K347 VanDerWaalsContact O-CA 3.22Å; D343-K347 WeakPolarHBondContact O-CA 3.36Å; D343-K347 PolarHBondContact O-N 2.69Å
348E97.2Very high97.8Very high104 Ų10436.4 Ų36.449%0.48617%0.168SC..EExtended strand (participates in β ladder)trans-141.4166-177.173.2-176.9175.800112.9D343 R346D343-E348 PolarHBondContact N-O 3.07Å; D343-E348 PolarHBondContact O-N 2.63Å; R346-E348 VanDerWaalsContact C-N 3.28Å; R346-E348 HydrophobicContact CB-CG 3.72Å; R346-E348 WeakPolarHBondContact CD-OE1 3.32Å; R346-E348 PolarHBondContact O-N 3.16Å
349H98.5Very high97.8Very high33 Ų3336.4 Ų36.415%0.15317%0.168CC..EExtended strand (participates in β ladder)trans-70.7137.3173.4-71.2-168.7000111.3V330 H331 N333 Y340 Y342 K351V330-H349 PolarHBondContact O-NE2 2.6Å; V330-H349 VanDerWaalsContact O-NE2 3.1Å; H331-H349 PolarHBondContact O-CE1 3.41Å; N333-H349 PolarHBondContact ND2-ND1 3.48Å; Y340-H349 HydrophobicContact CD2-CB 3.87Å; Y340-H349 AromaticContact CD2-ND1 3.63Å; Y340-H349 HydrophobicContact CG-CB 4.16Å; Y342-H349 AromaticContact CD2-CD2 3.96Å; H349-K351 HydrophobicContact CB-CG 4.1Å; H349-K351 PolarHBondContact O-N 3.1Å; H349-K351 VanDerWaalsContact O-N 3.15Å
350I98.1Very high97.8Very high6 Ų636.1 Ų36.13%0.03117%0.167CC..  trans-77.794.1166.7-69.1172.3000108.4I284 Y340 D341 D343 S352 Y354I284-I350 HydrophobicContact CD1-CD1 4.18Å; I284-I350 HydrophobicContact CG1-CD1 3.96Å; I284-I350 HydrophobicContact CG2-CD1 3.95Å; Y340-I350 WeakPolarHBondContact CD1-O 3.39Å; D341-I350 HydrophobicContact CB-CB 4.29Å; D341-I350 HydrophobicContact CB-CD1 4.01Å; D341-I350 PolarHBondContact O-N 2.95Å; D343-I350 HydrophobicContact CB-CD1 4.22Å; D343-I350 HydrophobicContact CB-CG1 4.03Å; I350-S352 PolarHBondContact O-N 2.88Å; I350-S352 VanDerWaalsContact O-N 3.13Å; I350-Y354 HydrophobicContact CG2-CE2 4.45Å
351K96.7Very high97.7Very high129 Ų12935.9 Ų35.956%0.56117%0.166SC*.  trans-82.823.5-174-59.2-171.7-179.4-175.70115.3Y340 H349Y340-K351 HydrophobicContact CD2-CG 4.18Å; Y340-K351 HydrophobicContact CE2-CB 4.38Å; Y340-K351 HydrophobicContact CE2-CG 3.99Å; H349-K351 HydrophobicContact CB-CG 4.1Å; H349-K351 PolarHBondContact O-N 3.1Å; H349-K351 VanDerWaalsContact O-N 3.15Å
352S95.8Very high97.7Very high29 Ų2936 Ų3620%0.20317%0.166CC..SBendtrans-88141.2173.3-600000109.5I350 Y354 N357I350-S352 PolarHBondContact O-N 2.88Å; I350-S352 VanDerWaalsContact O-N 3.13Å; S352-Y354 WeakPolarHBondContact O-CD2 3.41Å; S352-Y354 PolarHBondContact O-N 2.87Å; S352-N357 PolarHBondContact O-OD1 2.9Å
353Y97Very high97.6Very high17 Ų1734 Ų347%0.06716%0.159CC..  trans-66.3124.5174168.7-98.2000110.7Y379 V383 A385 I392 P393 F396Y353-Y379 HydrophobicContact CD2-CE1 4.04Å; Y353-V383 HydrophobicContact CD2-CG2 3.6Å; Y353-V383 HydrophobicContact CE2-CG2 4.06Å; Y353-V383 HydrophobicContact CG-CG2 4.07Å; Y353-A385 HydrophobicContact CE1-CB 4.49Å; Y353-A385 HydrophobicContact CE2-CB 3.83Å; Y353-A385 WeakPolarHBondContact OH-CB 3.2Å; Y353-I392 WeakPolarHBondContact OH-CG2 3.29Å; Y353-P393 PolarHBondContact OH-O 3.31Å; Y353-F396 AromaticContact CD1-CD2 3.43Å; Y353-F396 HydrophobicContact CD1-CD2 3.43Å; Y353-F396 VanDerWaalsContact CD1-CD2 3.43Å; Y353-F396 AromaticContact CD1-CE2 3.36Å; Y353-F396 HydrophobicContact CD1-CE2 3.36Å; Y353-F396 HydrophobicContact CD1-CG 4.15Å; Y353-F396 HydrophobicContact CD1-CZ 4.06Å; Y353-F396 HydrophobicContact CE1-CD2 4.22Å; Y353-F396 AromaticContact CE1-CE2 3.87Å; Y353-F396 HydrophobicContact CE1-CE2 3.87Å; Y353-F396 HydrophobicContact CE1-CZ 4.1Å; Y353-F396 AromaticContact CG-CD2 3.95Å; Y353-F396 HydrophobicContact CG-CD2 3.95Å; Y353-F396 AromaticContact CG-CE2 3.75Å; Y353-F396 HydrophobicContact CG-CE2 3.75Å
354Y98Very high97.5Very high0 Ų038.1 Ų38.10%017%0.174CC..BIsolated β-bridgetrans-133.6144.4158.8-63.1-81.9000107.4W259 S263 R264 I350 S352 S356 N357 T394 I397W259-Y354 HydrophobicContact CZ3-CD1 4.44Å; S263-Y354 PolarHBondContact O-OH 2.98Å; S263-Y354 WeakPolarHBondContact OG-CE1 3.3Å; S263-Y354 PolarHBondContact OG-OH 3.35Å; R264-Y354 WeakPolarHBondContact CA-OH 3.24Å; R264-Y354 HydrophobicContact CB-CD1 3.96Å; R264-Y354 HydrophobicContact CB-CD2 4.43Å; R264-Y354 HydrophobicContact CB-CE1 3.68Å; R264-Y354 HydrophobicContact CB-CE2 4.15Å; R264-Y354 HydrophobicContact CB-CG 4.35Å; R264-Y354 HydrophobicContact CG-CD1 4.36Å; R264-Y354 HydrophobicContact CG-CD2 4.17Å; R264-Y354 HydrophobicContact CG-CE1 4.43Å; R264-Y354 HydrophobicContact CG-CE2 4.21Å; R264-Y354 HydrophobicContact CG-CG 4.26Å; R264-Y354 PolarHBondContact N-OH 3.38Å; R264-Y354 VanDerWaalsContact N-OH 3.08Å; I350-Y354 HydrophobicContact CG2-CE2 4.45Å; S352-Y354 WeakPolarHBondContact O-CD2 3.41Å; S352-Y354 PolarHBondContact O-N 2.87Å; Y354-S356 WeakPolarHBondContact CB-OG 3.43Å; Y354-S356 PolarHBondContact O-N 3.33Å; Y354-N357 PolarHBondContact N-OD1 2.89Å; Y354-N357 VanDerWaalsContact O-CB 3.23Å; Y354-N357 WeakPolarHBondContact O-CB 3.43Å; Y354-N357 PolarHBondContact O-N 3.48Å; Y354-N357 PolarHBondContact O-OD1 2.83Å; Y354-T394 WeakPolarHBondContact CA-O 3.45Å; Y354-I397 HydrophobicContact CE1-CD1 4.43Å; Y354-I397 WeakPolarHBondContact OH-CD1 3.49Å
355I97.7Very high97.4Very high1 Ų136.6 Ų36.61%0.00517%0.166CC..G310 helixtrans-58.2-23.9177.3-169.7173.3000112.2W259 N357 A358 M380 I392 T394 L412 I413 I416W259-I355 HydrophobicContact CH2-CG2 3.77Å; W259-I355 HydrophobicContact CZ2-CG2 4.34Å; I355-N357 PolarHBondContact O-N 2.82Å; I355-N357 VanDerWaalsContact O-N 3.15Å; I355-A358 PolarHBondContact O-N 2.87Å; I355-A358 VanDerWaalsContact O-N 3.08Å; I355-M380 HydrophobicContact CG1-CE 4.48Å; I355-I392 HydrophobicContact CD1-CB 3.8Å; I355-I392 HydrophobicContact CD1-CG2 3.47Å; I355-I392 VanDerWaalsContact CD1-CG2 3.47Å; I355-I392 HydrophobicContact CG1-CG2 4.01Å; I355-T394 HydrophobicContact CG2-CG2 4.34Å; I355-T394 PolarHBondContact N-O 2.93Å; I355-L412 HydrophobicContact CD1-CB 3.96Å; I355-L412 HydrophobicContact CG2-CB 4Å; I355-L412 HydrophobicContact CG2-CD1 3.41Å; I355-L412 VanDerWaalsContact CG2-CD1 3.41Å; I355-L412 HydrophobicContact CG2-CG 4.19Å; I355-I413 HydrophobicContact CD1-CD1 4.14Å; I355-I416 HydrophobicContact CD1-CG1 3.86Å; I355-I416 HydrophobicContact CG1-CD1 4.23Å; I355-I416 HydrophobicContact CG1-CG1 3.67Å
356S98.2Very high97.4Very high0 Ų032.5 Ų32.50%014%0.143CC..G310 helixtrans-58.6-21.7171.959.70000114R264 Y354 A358 V359R264-S356 VanDerWaalsContact CZ-OG 3.25Å; R264-S356 PolarHBondContact NE-OG 3.01Å; Y354-S356 WeakPolarHBondContact CB-OG 3.43Å; Y354-S356 PolarHBondContact O-N 3.33Å; S356-A358 PolarHBondContact O-N 3.48Å; S356-V359 WeakPolarHBondContact O-CB 3.15Å; S356-V359 PolarHBondContact O-N 3.06Å
357N98.5Very high97.3Very high2 Ų232.7 Ų32.71%0.01115%0.15CC..G310 helixtrans-60-27.6174.8-59.7147.9000112.2V338 W339 S352 Y354 I355 Y379V338-N357 HydrophobicContact CG2-CB 3.62Å; V338-N357 VanDerWaalsContact CG2-O 3.31Å; V338-N357 WeakPolarHBondContact CG2-O 3.31Å; W339-N357 PolarHBondContact N-O 2.89Å; W339-N357 WeakPolarHBondContact O-CA 3.43Å; W339-N357 WeakPolarHBondContact O-CB 3.5Å; W339-N357 PolarHBondContact O-ND2 3.43Å; S352-N357 PolarHBondContact O-OD1 2.9Å; Y354-N357 PolarHBondContact N-OD1 2.89Å; Y354-N357 VanDerWaalsContact O-CB 3.23Å; Y354-N357 WeakPolarHBondContact O-CB 3.43Å; Y354-N357 PolarHBondContact O-N 3.48Å; Y354-N357 PolarHBondContact O-OD1 2.83Å; I355-N357 PolarHBondContact O-N 2.82Å; I355-N357 VanDerWaalsContact O-N 3.15Å; N357-Y379 HydrophobicContact CB-CE1 4.47Å
358A98.2Very high97.1Very high2 Ų230.8 Ų30.82%0.01715%0.148CC..G310 helixtrans-99.2-9.2179.500000113.8I355 S356 P360 L361 V376 M380 I416I355-A358 PolarHBondContact O-N 2.87Å; I355-A358 VanDerWaalsContact O-N 3.08Å; S356-A358 PolarHBondContact O-N 3.48Å; A358-P360 VanDerWaalsContact C-N 3.27Å; A358-L361 VanDerWaalsContact O-CB 3.29Å; A358-L361 WeakPolarHBondContact O-CB 3.16Å; A358-L361 WeakPolarHBondContact O-CG 3.36Å; A358-L361 PolarHBondContact O-N 3.11Å; A358-V376 HydrophobicContact CB-CG1 3.54Å; A358-M380 HydrophobicContact CB-CE 4.38Å; A358-M380 HydrophobicContact CB-CG 4.45Å; A358-M380 HydrophobicContact CB-SD 3.5Å; A358-M380 VanDerWaalsContact CB-SD 3.5Å; A358-I416 HydrophobicContact CB-CD1 3.47Å; A358-I416 VanDerWaalsContact CB-CD1 3.47Å
359V98.2Very high96.8Very high0 Ų028.7 Ų28.70%014%0.138CC..THydrogen-bonded Turntrans-54.8-34178166.80000113.4D288 F292 S356 L361 Y362 M415 I416D288-V359 HydrophobicContact CB-CB 4.11Å; D288-V359 HydrophobicContact CB-CG1 3.73Å; F292-V359 HydrophobicContact CE1-CG1 3.98Å; F292-V359 HydrophobicContact CZ-CG1 3.87Å; S356-V359 WeakPolarHBondContact O-CB 3.15Å; S356-V359 PolarHBondContact O-N 3.06Å; V359-L361 PolarHBondContact O-N 3.3Å; V359-Y362 VanDerWaalsContact O-CB 3.24Å; V359-Y362 WeakPolarHBondContact O-CB 3.46Å; V359-Y362 PolarHBondContact O-N 2.71Å; V359-M415 HydrophobicContact CG1-CE 4.36Å; V359-M415 HydrophobicContact CG1-SD 3.84Å; V359-M415 HydrophobicContact CG2-CE 4.01Å; V359-M415 HydrophobicContact CG2-SD 4.38Å; V359-I416 HydrophobicContact CG2-CD1 4.4Å
360P98.5Very high96.5Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-57.7-21.9176.3-28.737.8000114.9A287 L327 W339 A358 Y362 S363 R364 F366A287-P360 HydrophobicContact CB-CG 4.38Å; L327-P360 HydrophobicContact CD2-CB 4.47Å; W339-P360 HydrophobicContact CB-CG 3.89Å; W339-P360 HydrophobicContact CD2-CB 3.52Å; W339-P360 HydrophobicContact CD2-CG 3.67Å; W339-P360 HydrophobicContact CE3-CB 3.59Å; W339-P360 HydrophobicContact CE3-CG 3.81Å; W339-P360 HydrophobicContact CG-CB 4.04Å; W339-P360 HydrophobicContact CG-CG 3.72Å; W339-P360 HydrophobicContact CH2-CB 4.01Å; W339-P360 HydrophobicContact CZ2-CB 3.99Å; W339-P360 HydrophobicContact CZ3-CB 3.81Å; W339-P360 HydrophobicContact CZ3-CG 4.47Å; A358-P360 VanDerWaalsContact C-N 3.27Å; P360-Y362 PolarHBondContact O-N 2.92Å; P360-S363 PolarHBondContact O-N 3.1Å; P360-S363 VanDerWaalsContact O-N 3.16Å; P360-S363 PolarHBondContact O-OG 3.08Å; P360-R364 PolarHBondContact O-N 2.85Å; P360-F366 VanDerWaalsContact O-CE1 3.31Å; P360-F366 WeakPolarHBondContact O-CE1 3.23Å
361L98Very high96.5Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-53.8-40.1169.6-68.7-179.9000112.3W339 A358 V359 R364 F366 V372 A373 V376 F420W339-L361 HydrophobicContact CH2-CD2 4.11Å; W339-L361 HydrophobicContact CZ3-CD2 4.04Å; W339-L361 HydrophobicContact CZ3-CG 4.16Å; A358-L361 VanDerWaalsContact O-CB 3.29Å; A358-L361 WeakPolarHBondContact O-CB 3.16Å; A358-L361 WeakPolarHBondContact O-CG 3.36Å; A358-L361 PolarHBondContact O-N 3.11Å; V359-L361 PolarHBondContact O-N 3.3Å; L361-R364 WeakPolarHBondContact O-CG 3.12Å; L361-R364 PolarHBondContact O-N 2.87Å; L361-F366 HydrophobicContact CD2-CE1 4.28Å; L361-F366 HydrophobicContact CD2-CE2 4.31Å; L361-F366 HydrophobicContact CD2-CZ 3.73Å; L361-V372 HydrophobicContact CD2-CG1 4.36Å; L361-A373 HydrophobicContact CD2-CB 4.03Å; L361-V376 HydrophobicContact CD1-CB 3.97Å; L361-V376 HydrophobicContact CD1-CG1 3.61Å; L361-V376 HydrophobicContact CD1-CG2 4.44Å; L361-V376 HydrophobicContact CD2-CB 4.37Å; L361-V376 HydrophobicContact CD2-CG2 4.08Å; L361-V376 HydrophobicContact CG-CB 4.39Å; L361-V376 HydrophobicContact CG-CG1 4.17Å; L361-V376 HydrophobicContact CG-CG2 4.32Å; L361-F420 HydrophobicContact CD1-CD1 3.82Å; L361-F420 HydrophobicContact CD1-CE1 3.47Å; L361-F420 VanDerWaalsContact CD1-CE1 3.47Å; L361-F420 HydrophobicContact CD1-CG 4.46Å; L361-F420 HydrophobicContact CD1-CZ 3.88Å
362Y97.9Very high96.5Very high2 Ų228.9 Ų28.91%0.00815%0.15CC..Hα-helixtrans-63.9-40.8178.5176.5-110.1000112.8F119 R170 F292 M295 V359 P360 R364 M415 E418F119-Y362 WeakPolarHBondContact CE1-OH 3.47Å; F119-Y362 WeakPolarHBondContact CZ-OH 3.35Å; R170-Y362 PolarHBondContact NE-OH 2.81Å; F292-Y362 HydrophobicContact CE1-CD1 4.32Å; M295-Y362 HydrophobicContact CE-CE1 4.08Å; M295-Y362 HydrophobicContact SD-CE1 4.11Å; V359-Y362 VanDerWaalsContact O-CB 3.24Å; V359-Y362 WeakPolarHBondContact O-CB 3.46Å; V359-Y362 PolarHBondContact O-N 2.71Å; P360-Y362 PolarHBondContact O-N 2.92Å; Y362-R364 VanDerWaalsContact C-N 3.27Å; Y362-R364 PolarHBondContact O-N 3.15Å; Y362-M415 HydrophobicContact CD1-CB 4.48Å; Y362-M415 HydrophobicContact CD1-CG 3.83Å; Y362-M415 HydrophobicContact CD1-SD 3.97Å; Y362-M415 HydrophobicContact CD2-CB 4.36Å; Y362-M415 HydrophobicContact CD2-CG 4.16Å; Y362-M415 HydrophobicContact CE1-CG 4.25Å; Y362-M415 HydrophobicContact CE1-SD 4.44Å; Y362-M415 HydrophobicContact CG-CB 4.01Å; Y362-M415 HydrophobicContact CG-CG 3.79Å; Y362-M415 HydrophobicContact CG-SD 4.43Å; Y362-E418 HydrophobicContact CD2-CB 4.1Å; Y362-E418 HydrophobicContact CD2-CG 4.22Å; Y362-E418 HydrophobicContact CE2-CB 4.37Å; Y362-E418 HydrophobicContact CE2-CG 4.22Å; Y362-E418 WeakPolarHBondContact CE2-OE2 3.27Å
363S97.1Very high96.6Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-68.9-25.3-179.667.50000114.3S291 R298 P360 C365S291-S363 VanDerWaalsContact O-CB 3.32Å; S291-S363 WeakPolarHBondContact O-CB 3.4Å; S291-S363 WeakPolarHBondContact OG-CB 3.47Å; S291-S363 PolarHBondContact OG-OG 3.2Å; S291-S363 VanDerWaalsContact OG-OG 3.09Å; R298-S363 PolarHBondContact NH2-O 3.23Å; P360-S363 PolarHBondContact O-N 3.1Å; P360-S363 VanDerWaalsContact O-N 3.16Å; P360-S363 PolarHBondContact O-OG 3.08Å; S363-C365 PolarHBondContact O-N 3.35Å; S363-C365 PolarHBondContact OG-N 3.03Å
364R96.5Very high96.6Very high86 Ų8628.8 Ų28.833%0.32515%0.148SC..THydrogen-bonded Turntrans55.436.8-173.5-61.1177.962-176.96.3113.2P360 L361 Y362 F366 E369P360-R364 PolarHBondContact O-N 2.85Å; L361-R364 WeakPolarHBondContact O-CG 3.12Å; L361-R364 PolarHBondContact O-N 2.87Å; Y362-R364 VanDerWaalsContact C-N 3.27Å; Y362-R364 PolarHBondContact O-N 3.15Å; R364-F366 VanDerWaalsContact C-N 3.3Å; R364-F366 PolarHBondContact O-N 3.02Å; R364-E369 IonicContact CZ-OE1 2.73Å; R364-E369 VanDerWaalsContact CZ-OE1 3.24Å; R364-E369 IonicContact CZ-OE2 3.7Å; R364-E369 IonicContact NE-OE1 2.85Å; R364-E369 PolarHBondContact NE-OE1 3.43Å; R364-E369 IonicContact NE-OE2 3.41Å; R364-E369 IonicContact NH2-OE1 3.36Å; R364-E369 PolarHBondContact NH2-OE1 3.01Å; R364-E369 IonicContact NH2-OE2 3.69Å; R364-E369 PolarHBondContact NH2-OE2 3.38Å
365C96.8Very high96.6Very high2 Ų232 Ų321%0.01416%0.16CC..  trans-90.748.3178-85.10000113.6C294 M295 L327 S363C294-C365 HydrophobicContact CB-CB 3.8Å; C294-C365 WeakPolarHBondContact CB-SG 3.49Å; C294-C365 WeakPolarHBondContact SG-CB 3.32Å; C294-C365 CovalentContact SG-SG 2.03Å; C294-C365 PolarHBondContact SG-SG 2.75Å; M295-C365 PolarHBondContact N-SG 2.99Å; L327-C365 HydrophobicContact CD2-CB 3.65Å; S363-C365 PolarHBondContact O-N 3.35Å; S363-C365 PolarHBondContact OG-N 3.03Å
366F96.2Very high96.6Very high25 Ų2531.9 Ų31.911%0.1116%0.159CC..SBendtrans-147.4173.6-178.647-85.2000111.1K324 W339 P360 L361 R364 E369 V372K324-F366 PolarHBondContact NZ-O 3.43Å; W339-F366 AromaticContact CH2-CD1 3.74Å; W339-F366 HydrophobicContact CH2-CD1 3.74Å; W339-F366 AromaticContact CH2-CE1 3.95Å; W339-F366 HydrophobicContact CH2-CE1 3.95Å; W339-F366 HydrophobicContact CH2-CG 4.17Å; W339-F366 HydrophobicContact CH2-CZ 4.48Å; W339-F366 HydrophobicContact CZ2-CB 4.15Å; W339-F366 AromaticContact CZ2-CD1 3.73Å; W339-F366 HydrophobicContact CZ2-CD1 3.73Å; W339-F366 HydrophobicContact CZ2-CE1 4.38Å; W339-F366 HydrophobicContact CZ2-CG 4.03Å; P360-F366 VanDerWaalsContact O-CE1 3.31Å; P360-F366 WeakPolarHBondContact O-CE1 3.23Å; L361-F366 HydrophobicContact CD2-CE1 4.28Å; L361-F366 HydrophobicContact CD2-CE2 4.31Å; L361-F366 HydrophobicContact CD2-CZ 3.73Å; R364-F366 VanDerWaalsContact C-N 3.3Å; R364-F366 PolarHBondContact O-N 3.02Å; F366-E369 HydrophobicContact CD2-CG 4.47Å; F366-E369 HydrophobicContact CE2-CB 4.17Å; F366-E369 HydrophobicContact CE2-CG 4.13Å; F366-V372 HydrophobicContact CD2-CB 3.62Å; F366-V372 HydrophobicContact CD2-CG1 3.56Å; F366-V372 HydrophobicContact CD2-CG2 3.95Å; F366-V372 HydrophobicContact CE2-CB 3.85Å; F366-V372 HydrophobicContact CE2-CG1 3.76Å; F366-V372 HydrophobicContact CG-CB 4.46Å; F366-V372 HydrophobicContact CG-CG1 4.01Å; F366-V372 HydrophobicContact CZ-CG1 4.41Å
367D93.9Very high96.6Very high88 Ų8833.7 Ų33.747%0.47117%0.166SC..SBendtrans-102.3164.3172.1-65.5-61.1000109.7K324 V372K324-D367 VanDerWaalsContact CE-CG 3.41Å; K324-D367 VanDerWaalsContact CE-OD1 3.3Å; K324-D367 WeakPolarHBondContact CE-OD1 2.96Å; K324-D367 WeakPolarHBondContact CE-OD2 3.36Å; K324-D367 IonicContact NZ-OD1 2.86Å; K324-D367 PolarHBondContact NZ-OD1 3.25Å; K324-D367 IonicContact NZ-OD2 3.25Å; K324-D367 PolarHBondContact NZ-OD2 3.09Å; D367-V372 VanDerWaalsContact O-CG2 3.25Å; D367-V372 WeakPolarHBondContact O-CG2 3.21Å
368N92.6Very high96.6Very high121 Ų12139.2 Ų39.265%0.64719%0.19SC*.SBendtrans5560.2175.2-54.7-46.1000112.7N370 V371 V372N368-N370 VanDerWaalsContact C-N 3.33Å; N368-N370 PolarHBondContact O-N 3.04Å; N368-V371 HydrophobicContact CB-CB 4.13Å; N368-V371 HydrophobicContact CB-CG2 4.37Å; N368-V371 PolarHBondContact O-N 3.42Å; N368-V372 PolarHBondContact O-N 3.38Å
369E90.6Very high96.6Very high59 Ų5940.1 Ų40.128%0.27619%0.193SC..Hα-helixtrans-52.6-47.4-166-64.6-174150.700113.9R364 F366 V371 V372 A373R364-E369 IonicContact CZ-OE1 2.73Å; R364-E369 VanDerWaalsContact CZ-OE1 3.24Å; R364-E369 IonicContact CZ-OE2 3.7Å; R364-E369 IonicContact NE-OE1 2.85Å; R364-E369 PolarHBondContact NE-OE1 3.43Å; R364-E369 IonicContact NE-OE2 3.41Å; R364-E369 IonicContact NH2-OE1 3.36Å; R364-E369 PolarHBondContact NH2-OE1 3.01Å; R364-E369 IonicContact NH2-OE2 3.69Å; R364-E369 PolarHBondContact NH2-OE2 3.38Å; F366-E369 HydrophobicContact CD2-CG 4.47Å; F366-E369 HydrophobicContact CE2-CB 4.17Å; F366-E369 HydrophobicContact CE2-CG 4.13Å; E369-V371 PolarHBondContact O-N 3.09Å; E369-V372 PolarHBondContact O-N 2.9Å; E369-A373 VanDerWaalsContact O-CB 3.23Å; E369-A373 WeakPolarHBondContact O-CB 3.49Å; E369-A373 PolarHBondContact O-N 3.16Å
370N93Very high96.6Very high69 Ų6940.2 Ų40.237%0.36919%0.194SC..Hα-helixtrans-58.8-48.6176.7179.5-16.3000112.2N368 V372 A373 M374 S423 N425N368-N370 VanDerWaalsContact C-N 3.33Å; N368-N370 PolarHBondContact O-N 3.04Å; N370-V372 PolarHBondContact O-N 3.03Å; N370-A373 PolarHBondContact O-N 2.91Å; N370-M374 WeakPolarHBondContact O-CB 3.46Å; N370-M374 PolarHBondContact O-N 3.27Å; N370-S423 PolarHBondContact N-O 3.35Å; N370-N425 HydrophobicContact CB-CB 4.41Å; N370-N425 WeakPolarHBondContact OD1-CB 3.42Å; N370-N425 PolarHBondContact OD1-ND2 3.02Å
371V96.3Very high96.5Very high87 Ų8745.2 Ų45.253%0.52722%0.217SC..Hα-helixtrans-64.7-45.1-177.31780000110.9N368 E369 M374 R375N368-V371 HydrophobicContact CB-CB 4.13Å; N368-V371 HydrophobicContact CB-CG2 4.37Å; N368-V371 PolarHBondContact O-N 3.42Å; E369-V371 PolarHBondContact O-N 3.09Å; V371-M374 PolarHBondContact O-N 3.04Å; V371-R375 VanDerWaalsContact O-CG 3.29Å; V371-R375 WeakPolarHBondContact O-CG 3.27Å; V371-R375 PolarHBondContact O-N 3.49Å; V371-R375 VanDerWaalsContact O-N 3.1Å
372V97.5Very high96.4Very high17 Ų1751 Ų5110%0.10325%0.252CS..Hα-helixtrans-64.9-46.5179.3170.90000110.6W332 W339 L361 F366 D367 N368 E369 N370 M374 R375 V376W332-V372 HydrophobicContact CH2-CG1 3.84Å; W332-V372 HydrophobicContact CZ3-CG1 3.91Å; W339-V372 HydrophobicContact CH2-CG1 3.34Å; W339-V372 HydrophobicContact CZ2-CG1 3.88Å; W339-V372 HydrophobicContact CZ3-CG1 4.19Å; L361-V372 HydrophobicContact CD2-CG1 4.36Å; F366-V372 HydrophobicContact CD2-CB 3.62Å; F366-V372 HydrophobicContact CD2-CG1 3.56Å; F366-V372 HydrophobicContact CD2-CG2 3.95Å; F366-V372 HydrophobicContact CE2-CB 3.85Å; F366-V372 HydrophobicContact CE2-CG1 3.76Å; F366-V372 HydrophobicContact CG-CB 4.46Å; F366-V372 HydrophobicContact CG-CG1 4.01Å; F366-V372 HydrophobicContact CZ-CG1 4.41Å; D367-V372 VanDerWaalsContact O-CG2 3.25Å; D367-V372 WeakPolarHBondContact O-CG2 3.21Å; N368-V372 PolarHBondContact O-N 3.38Å; E369-V372 PolarHBondContact O-N 2.9Å; N370-V372 PolarHBondContact O-N 3.03Å; V372-M374 VanDerWaalsContact C-N 3.32Å; V372-M374 PolarHBondContact O-N 3.28Å; V372-R375 PolarHBondContact O-N 2.92Å; V372-R375 VanDerWaalsContact O-N 3.14Å; V372-V376 HydrophobicContact CG1-CG2 4.5Å; V372-V376 WeakPolarHBondContact O-CG2 3.49Å; V372-V376 PolarHBondContact O-N 2.88Å
373A97.7Very high96.3Very high1 Ų153.2 Ų53.21%0.00827%0.266CS..Hα-helixtrans-59.8-41.5177.700000112.1L361 E369 N370 R375 V376 Y377 F420 S423 L428L361-A373 HydrophobicContact CD2-CB 4.03Å; E369-A373 VanDerWaalsContact O-CB 3.23Å; E369-A373 WeakPolarHBondContact O-CB 3.49Å; E369-A373 PolarHBondContact O-N 3.16Å; N370-A373 PolarHBondContact O-N 2.91Å; A373-R375 VanDerWaalsContact C-N 3.32Å; A373-R375 PolarHBondContact O-N 3.35Å; A373-V376 PolarHBondContact O-N 3.24Å; A373-Y377 WeakPolarHBondContact O-CB 3.19Å; A373-Y377 PolarHBondContact O-N 2.97Å; A373-F420 HydrophobicContact CB-CD1 4.5Å; A373-S423 VanDerWaalsContact CB-CB 3.46Å; A373-L428 HydrophobicContact CB-CD1 3.44Å; A373-L428 VanDerWaalsContact CB-CD1 3.44Å
374M97.8Very high96.2Very high43 Ų4354.2 Ų54.221%0.21228%0.276CS..Hα-helixtrans-64.8-35.3177.1-175.656.265.400112.5N370 V371 V372 Y377 K378 N425 L428N370-M374 WeakPolarHBondContact O-CB 3.46Å; N370-M374 PolarHBondContact O-N 3.27Å; V371-M374 PolarHBondContact O-N 3.04Å; V372-M374 VanDerWaalsContact C-N 3.32Å; V372-M374 PolarHBondContact O-N 3.28Å; M374-Y377 HydrophobicContact SD-CD1 4.08Å; M374-K378 VanDerWaalsContact O-CG 3.3Å; M374-K378 WeakPolarHBondContact O-CG 3.1Å; M374-K378 PolarHBondContact O-N 3.33Å; M374-N425 VanDerWaalsContact CE-ND2 3.34Å; M374-N425 WeakPolarHBondContact CE-ND2 3.38Å; M374-L428 HydrophobicContact CB-CD1 4.37Å; M374-L428 HydrophobicContact CE-CD1 4.2Å; M374-L428 HydrophobicContact CE-CD2 3.87Å; M374-L428 HydrophobicContact CE-CG 3.87Å; M374-L428 HydrophobicContact SD-CD2 4.34Å
375R98.1Very high96.1Very high66 Ų6650.1 Ų50.125%0.24926%0.261CS..Hα-helixtrans-69.2-41.7175.8-70.7176.469.1171.97.6112W332 E334 G337 V371 V372 A373 K378 Y379W332-R375 HydrophobicContact CH2-CB 4.33Å; E334-R375 PolarHBondContact O-NH2 3.11Å; E334-R375 IonicContact OE1-CZ 3.23Å; E334-R375 IonicContact OE1-NH1 3.04Å; E334-R375 PolarHBondContact OE1-NH1 2.93Å; E334-R375 IonicContact OE1-NH2 3.99Å; E334-R375 PolarHBondContact OE1-NH2 3.02Å; E334-R375 IonicContact OE2-NH1 3.76Å; G337-R375 CarbonylContact O-C 3.3Å; V371-R375 VanDerWaalsContact O-CG 3.29Å; V371-R375 WeakPolarHBondContact O-CG 3.27Å; V371-R375 PolarHBondContact O-N 3.49Å; V371-R375 VanDerWaalsContact O-N 3.1Å; V372-R375 PolarHBondContact O-N 2.92Å; V372-R375 VanDerWaalsContact O-N 3.14Å; A373-R375 VanDerWaalsContact C-N 3.32Å; A373-R375 PolarHBondContact O-N 3.35Å; R375-K378 PolarHBondContact O-N 3.19Å; R375-Y379 PolarHBondContact O-N 3.23Å
376V98.3Very high95.8Very high0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-64.2-43.2175.6175.40000110.5W332 G337 V338 W339 A358 L361 V372 A373 K378 Y379 M380 F420W332-V376 HydrophobicContact CH2-CG2 4.43Å; W332-V376 HydrophobicContact CZ3-CG2 4.15Å; G337-V376 WeakPolarHBondContact O-CG2 3.47Å; G337-V376 PolarHBondContact O-N 3.03Å; V338-V376 HydrophobicContact CG2-CG1 4.38Å; W339-V376 HydrophobicContact CE3-CG2 4.18Å; W339-V376 HydrophobicContact CH2-CG2 4.35Å; W339-V376 HydrophobicContact CZ3-CG2 3.57Å; A358-V376 HydrophobicContact CB-CG1 3.54Å; L361-V376 HydrophobicContact CD1-CB 3.97Å; L361-V376 HydrophobicContact CD1-CG1 3.61Å; L361-V376 HydrophobicContact CD1-CG2 4.44Å; L361-V376 HydrophobicContact CD2-CB 4.37Å; L361-V376 HydrophobicContact CD2-CG2 4.08Å; L361-V376 HydrophobicContact CG-CB 4.39Å; L361-V376 HydrophobicContact CG-CG1 4.17Å; L361-V376 HydrophobicContact CG-CG2 4.32Å; V372-V376 HydrophobicContact CG1-CG2 4.5Å; V372-V376 WeakPolarHBondContact O-CG2 3.49Å; V372-V376 PolarHBondContact O-N 2.88Å; A373-V376 PolarHBondContact O-N 3.24Å; V376-K378 PolarHBondContact O-N 3.1Å; V376-Y379 WeakPolarHBondContact O-CB 3.38Å; V376-Y379 PolarHBondContact O-N 3.01Å; V376-M380 HydrophobicContact CG1-CG 4.4Å; V376-M380 HydrophobicContact CG1-SD 4.19Å; V376-M380 WeakPolarHBondContact O-CG 3.49Å; V376-M380 PolarHBondContact O-N 2.93Å; V376-F420 HydrophobicContact CG1-CZ 4.38Å
377Y97.9Very high95.4Very high38 Ų3854.8 Ų54.815%0.14930%0.298CS..Hα-helixtrans-55.7-51.4173.4172.3-103.2000111.5A373 M374 Y379 M380 E381 F386 F420 L428 I431A373-Y377 WeakPolarHBondContact O-CB 3.19Å; A373-Y377 PolarHBondContact O-N 2.97Å; M374-Y377 HydrophobicContact SD-CD1 4.08Å; Y377-Y379 VanDerWaalsContact C-N 3.31Å; Y377-Y379 PolarHBondContact O-N 3.48Å; Y377-M380 PolarHBondContact O-N 3.49Å; Y377-E381 WeakPolarHBondContact O-CB 3.33Å; Y377-E381 PolarHBondContact O-N 3.02Å; Y377-F386 HydrophobicContact CD2-CD2 4.36Å; Y377-F386 AromaticContact CD2-CE2 3.5Å; Y377-F386 HydrophobicContact CD2-CE2 3.5Å; Y377-F386 VanDerWaalsContact CD2-CE2 3.5Å; Y377-F386 HydrophobicContact CD2-CZ 4.01Å; Y377-F386 AromaticContact CE2-CD2 3.99Å; Y377-F386 HydrophobicContact CE2-CD2 3.99Å; Y377-F386 AromaticContact CE2-CE2 3.58Å; Y377-F386 HydrophobicContact CE2-CE2 3.58Å; Y377-F386 HydrophobicContact CE2-CZ 4.34Å; Y377-F386 HydrophobicContact CG-CE2 4.47Å; Y377-F420 HydrophobicContact CD2-CZ 4.5Å; Y377-L428 HydrophobicContact CD1-CD2 4.13Å; Y377-L428 HydrophobicContact CD2-CD2 4.12Å; Y377-L428 HydrophobicContact CG-CD2 3.68Å; Y377-I431 HydrophobicContact CD2-CD1 4.05Å; Y377-I431 HydrophobicContact CD2-CG2 4.1Å; Y377-I431 HydrophobicContact CE1-CD1 4.05Å; Y377-I431 HydrophobicContact CE2-CD1 3.52Å; Y377-I431 HydrophobicContact CE2-CG1 4.23Å; Y377-I431 HydrophobicContact CE2-CG2 3.82Å; Y377-I431 VanDerWaalsContact CZ-CD1 3.5Å
378K98.1Very high94.9Very high118 Ų11853.3 Ų53.351%0.51330%0.295SS..Hα-helixtrans-59.3-40177.8-74.7176-179.8-175.80112.6M374 R375 V376 T382M374-K378 VanDerWaalsContact O-CG 3.3Å; M374-K378 WeakPolarHBondContact O-CG 3.1Å; M374-K378 PolarHBondContact O-N 3.33Å; R375-K378 PolarHBondContact O-N 3.19Å; V376-K378 PolarHBondContact O-N 3.1Å; K378-T382 VanDerWaalsContact O-CB 3.27Å; K378-T382 WeakPolarHBondContact O-CB 3.46Å; K378-T382 PolarHBondContact O-N 3.19Å; K378-T382 PolarHBondContact O-OG1 3.41Å
379Y98.3Very high94.5Very high21 Ų2148.1 Ų48.18%0.08227%0.269CS..Hα-helixtrans-60.3-52.7174.1169.1-99.6000111.2D336 V338 Y340 Y353 N357 R375 V376 Y377 E381 T382 V383D336-Y379 HydrophobicContact CB-CD2 4.36Å; V338-Y379 HydrophobicContact CB-CD1 3.72Å; V338-Y379 HydrophobicContact CB-CD2 4.33Å; V338-Y379 HydrophobicContact CB-CE1 4.13Å; V338-Y379 HydrophobicContact CB-CG 3.82Å; V338-Y379 HydrophobicContact CG1-CD1 3.88Å; V338-Y379 HydrophobicContact CG1-CD2 3.98Å; V338-Y379 HydrophobicContact CG1-CE1 3.84Å; V338-Y379 HydrophobicContact CG1-CE2 3.97Å; V338-Y379 HydrophobicContact CG1-CG 3.95Å; V338-Y379 HydrophobicContact CG2-CD1 3.57Å; V338-Y379 HydrophobicContact CG2-CE1 3.88Å; V338-Y379 HydrophobicContact CG2-CG 4.19Å; Y340-Y379 WeakPolarHBondContact OH-CE2 3.03Å; Y340-Y379 PolarHBondContact OH-OH 3.32Å; Y353-Y379 HydrophobicContact CD2-CE1 4.04Å; N357-Y379 HydrophobicContact CB-CE1 4.47Å; R375-Y379 PolarHBondContact O-N 3.23Å; V376-Y379 WeakPolarHBondContact O-CB 3.38Å; V376-Y379 PolarHBondContact O-N 3.01Å; Y377-Y379 VanDerWaalsContact C-N 3.31Å; Y377-Y379 PolarHBondContact O-N 3.48Å; Y379-E381 VanDerWaalsContact C-N 3.31Å; Y379-E381 PolarHBondContact O-N 2.83Å; Y379-T382 PolarHBondContact O-N 3Å; Y379-T382 VanDerWaalsContact O-N 3.14Å; Y379-V383 HydrophobicContact CD2-CG1 4.19Å; Y379-V383 HydrophobicContact CE1-CG1 4.38Å; Y379-V383 HydrophobicContact CE1-CG2 4.43Å; Y379-V383 HydrophobicContact CE2-CG1 3.64Å; Y379-V383 WeakPolarHBondContact O-CG2 3.42Å; Y379-V383 PolarHBondContact O-N 2.88Å
380M97.3Very high94.5Very high1 Ų147.4 Ų47.41%0.00527%0.265CS..Hα-helixtrans-61.5-39.2-178.9-70.6-173.977.100112.1I355 A358 V376 Y377 V383 G384 A385 F386 I392 I416 F420I355-M380 HydrophobicContact CG1-CE 4.48Å; A358-M380 HydrophobicContact CB-CE 4.38Å; A358-M380 HydrophobicContact CB-CG 4.45Å; A358-M380 HydrophobicContact CB-SD 3.5Å; A358-M380 VanDerWaalsContact CB-SD 3.5Å; V376-M380 HydrophobicContact CG1-CG 4.4Å; V376-M380 HydrophobicContact CG1-SD 4.19Å; V376-M380 WeakPolarHBondContact O-CG 3.49Å; V376-M380 PolarHBondContact O-N 2.93Å; Y377-M380 PolarHBondContact O-N 3.49Å; M380-V383 WeakPolarHBondContact O-CG2 3.4Å; M380-G384 PolarHBondContact O-N 2.98Å; M380-A385 HydrophobicContact CB-CB 4.16Å; M380-A385 HydrophobicContact CE-CB 4.21Å; M380-A385 VanDerWaalsContact O-CB 3.27Å; M380-A385 WeakPolarHBondContact O-CB 3.32Å; M380-A385 PolarHBondContact O-N 3.46Å; M380-F386 HydrophobicContact CB-CD2 4.23Å; M380-F386 HydrophobicContact CB-CE1 4.12Å; M380-F386 HydrophobicContact CB-CE2 3.38Å; M380-F386 HydrophobicContact CB-CZ 3.33Å; M380-F386 HydrophobicContact CE-CE1 3.68Å; M380-F386 HydrophobicContact CE-CZ 3.87Å; M380-F386 HydrophobicContact CG-CZ 4.13Å; M380-F386 HydrophobicContact SD-CE1 4.17Å; M380-F386 HydrophobicContact SD-CZ 3.74Å; M380-I392 HydrophobicContact CE-CD1 4.43Å; M380-I392 HydrophobicContact CE-CG2 3.85Å; M380-I416 HydrophobicContact CE-CG2 4.3Å; M380-I416 HydrophobicContact SD-CG2 4.45Å; M380-F420 HydrophobicContact SD-CE2 4.19Å; M380-F420 HydrophobicContact SD-CZ 4.01Å
381E96.6Very high94.5Very high106 Ų10644.5 Ų44.550%0.49525%0.25SC..Hα-helixtrans-62.4-48.6172.5-177.3179.8-130.100111.2Y377 Y379 V383 G384 F386Y377-E381 WeakPolarHBondContact O-CB 3.33Å; Y377-E381 PolarHBondContact O-N 3.02Å; Y379-E381 VanDerWaalsContact C-N 3.31Å; Y379-E381 PolarHBondContact O-N 2.83Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-V383 PolarHBondContact O-N 3.5Å; E381-G384 WeakPolarHBondContact O-CA 3.18Å; E381-G384 PolarHBondContact O-N 3.03Å; E381-F386 HydrophobicContact CB-CD2 4.08Å; E381-F386 HydrophobicContact CB-CE2 4.35Å
382T96.9Very high94.4Very high120 Ų12040.4 Ų40.474%0.73623%0.225SC*.Hα-helixtrans-61.6-39.7-177.6-610000112.4K378 Y379 G384K378-T382 VanDerWaalsContact O-CB 3.27Å; K378-T382 WeakPolarHBondContact O-CB 3.46Å; K378-T382 PolarHBondContact O-N 3.19Å; K378-T382 PolarHBondContact O-OG1 3.41Å; Y379-T382 PolarHBondContact O-N 3Å; Y379-T382 VanDerWaalsContact O-N 3.14Å; T382-G384 PolarHBondContact O-N 2.86Å
383V95.9Very high94.3Very high49 Ų4939.8 Ų39.830%0.29722%0.221SC..THydrogen-bonded Turntrans-77.3-6.9176.2-57.90000112.8Y353 Y379 M380 E381 A385 F396Y353-V383 HydrophobicContact CD2-CG2 3.6Å; Y353-V383 HydrophobicContact CE2-CG2 4.06Å; Y353-V383 HydrophobicContact CG-CG2 4.07Å; Y379-V383 HydrophobicContact CD2-CG1 4.19Å; Y379-V383 HydrophobicContact CE1-CG1 4.38Å; Y379-V383 HydrophobicContact CE1-CG2 4.43Å; Y379-V383 HydrophobicContact CE2-CG1 3.64Å; Y379-V383 WeakPolarHBondContact O-CG2 3.42Å; Y379-V383 PolarHBondContact O-N 2.88Å; M380-V383 WeakPolarHBondContact O-CG2 3.4Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-V383 PolarHBondContact O-N 3.5Å; V383-A385 HydrophobicContact CG2-CB 4.18Å; V383-F396 HydrophobicContact CB-CE2 4.11Å; V383-F396 HydrophobicContact CG2-CE2 4.1Å; V383-F396 WeakPolarHBondContact O-CE2 3.1Å; V383-F396 VanDerWaalsContact O-CZ 3.28Å; V383-F396 WeakPolarHBondContact O-CZ 3.43Å
384G94.6Very high94.2Very high21 Ų2139.8 Ų39.822%0.21622%0.221CC..THydrogen-bonded Turntrans87.911.8176.500000115M380 E381 T382 F386 A387 S388M380-G384 PolarHBondContact O-N 2.98Å; E381-G384 WeakPolarHBondContact O-CA 3.18Å; E381-G384 PolarHBondContact O-N 3.03Å; T382-G384 PolarHBondContact O-N 2.86Å; G384-F386 PolarHBondContact O-N 3.23Å; G384-A387 PolarHBondContact O-N 3.1Å; G384-A387 VanDerWaalsContact O-N 3.17Å; G384-S388 WeakPolarHBondContact O-CB 3.5Å; G384-S388 PolarHBondContact O-N 2.71Å; G384-S388 VanDerWaalsContact O-N 3.1Å; G384-S388 PolarHBondContact O-OG 3.07Å; G384-S388 VanDerWaalsContact O-OG 3.05Å
385A93.7Very high94.2Very high0 Ų037.8 Ų37.80%021%0.211CC..THydrogen-bonded Turntrans-58.1-27-173.900000113.6Y353 M380 V383 I392 P393 F396Y353-A385 HydrophobicContact CE1-CB 4.49Å; Y353-A385 HydrophobicContact CE2-CB 3.83Å; Y353-A385 WeakPolarHBondContact OH-CB 3.2Å; M380-A385 HydrophobicContact CB-CB 4.16Å; M380-A385 HydrophobicContact CE-CB 4.21Å; M380-A385 VanDerWaalsContact O-CB 3.27Å; M380-A385 WeakPolarHBondContact O-CB 3.32Å; M380-A385 PolarHBondContact O-N 3.46Å; V383-A385 HydrophobicContact CG2-CB 4.18Å; A385-I392 HydrophobicContact CB-CG2 4.28Å; A385-P393 VanDerWaalsContact O-CD 3.27Å; A385-P393 WeakPolarHBondContact O-CD 3.44Å; A385-F396 HydrophobicContact CB-CZ 4.47Å
386F90.5Very high94Very high33 Ų3338.8 Ų38.815%0.14522%0.217CC..THydrogen-bonded Turntrans-97.4-21.2-177.8-53.4-49.7000114.6Y377 M380 E381 G384 I392 F420 Y435Y377-F386 HydrophobicContact CD2-CD2 4.36Å; Y377-F386 AromaticContact CD2-CE2 3.5Å; Y377-F386 HydrophobicContact CD2-CE2 3.5Å; Y377-F386 VanDerWaalsContact CD2-CE2 3.5Å; Y377-F386 HydrophobicContact CD2-CZ 4.01Å; Y377-F386 AromaticContact CE2-CD2 3.99Å; Y377-F386 HydrophobicContact CE2-CD2 3.99Å; Y377-F386 AromaticContact CE2-CE2 3.58Å; Y377-F386 HydrophobicContact CE2-CE2 3.58Å; Y377-F386 HydrophobicContact CE2-CZ 4.34Å; Y377-F386 HydrophobicContact CG-CE2 4.47Å; M380-F386 HydrophobicContact CB-CD2 4.23Å; M380-F386 HydrophobicContact CB-CE1 4.12Å; M380-F386 HydrophobicContact CB-CE2 3.38Å; M380-F386 HydrophobicContact CB-CZ 3.33Å; M380-F386 HydrophobicContact CE-CE1 3.68Å; M380-F386 HydrophobicContact CE-CZ 3.87Å; M380-F386 HydrophobicContact CG-CZ 4.13Å; M380-F386 HydrophobicContact SD-CE1 4.17Å; M380-F386 HydrophobicContact SD-CZ 3.74Å; E381-F386 HydrophobicContact CB-CD2 4.08Å; E381-F386 HydrophobicContact CB-CE2 4.35Å; G384-F386 PolarHBondContact O-N 3.23Å; F386-I392 HydrophobicContact CD1-CD1 4.28Å; F386-I392 HydrophobicContact CD1-CG1 4.19Å; F386-I392 HydrophobicContact CE1-CD1 3.92Å; F386-I392 HydrophobicContact CE1-CG1 4.31Å; F386-F420 HydrophobicContact CZ-CE2 4.06Å; F386-F420 HydrophobicContact CZ-CZ 4.28Å; F386-Y435 HydrophobicContact CB-CE1 4.11Å; F386-Y435 WeakPolarHBondContact CB-OH 3.32Å; F386-Y435 HydrophobicContact CD1-CD1 4.48Å; F386-Y435 HydrophobicContact CD1-CD2 4.42Å; F386-Y435 AromaticContact CD1-CE1 3.69Å; F386-Y435 HydrophobicContact CD1-CE1 3.69Å; F386-Y435 AromaticContact CD1-CE2 3.58Å; F386-Y435 HydrophobicContact CD1-CE2 3.58Å; F386-Y435 AromaticContact CD1-CZ 3.19Å; F386-Y435 WeakPolarHBondContact CD1-OH 3.29Å; F386-Y435 AromaticContact CD2-CZ 4Å; F386-Y435 WeakPolarHBondContact CD2-OH 3.32Å; F386-Y435 HydrophobicContact CE1-CD2 4.11Å; F386-Y435 HydrophobicContact CE1-CE1 4.29Å; F386-Y435 AromaticContact CE1-CE2 3.29Å; F386-Y435 HydrophobicContact CE1-CE2 3.29Å; F386-Y435 AromaticContact CE1-CZ 3.46Å; F386-Y435 VanDerWaalsContact CE1-CZ 3.46Å; F386-Y435 HydrophobicContact CE2-CE2 4.34Å; F386-Y435 WeakPolarHBondContact CE2-OH 3.5Å; F386-Y435 HydrophobicContact CG-CE1 4.02Å; F386-Y435 HydrophobicContact CG-CE2 4.22Å; F386-Y435 AromaticContact CG-CZ 3.49Å; F386-Y435 VanDerWaalsContact CG-CZ 3.49Å; F386-Y435 WeakPolarHBondContact CG-OH 3.41Å; F386-Y435 AromaticContact CZ-CE2 3.71Å; F386-Y435 HydrophobicContact CZ-CE2 3.71Å; F386-Y435 AromaticContact CZ-CZ 3.95Å
387A87.3Confident93.9Very high92 Ų9240.4 Ų40.476%0.7623%0.226SC*.THydrogen-bonded Turntrans-103.9-18.5-173.300000113.1G384 A389G384-A387 PolarHBondContact O-N 3.1Å; G384-A387 VanDerWaalsContact O-N 3.17Å; A387-A389 VanDerWaalsContact C-N 3.33Å; A387-A389 PolarHBondContact O-N 2.96Å
388S83Confident93.7Very high58 Ų5845.5 Ų45.541%0.40625%0.249SC..SBendtrans-80.6-10.9-173.161.70000114.7G384G384-S388 WeakPolarHBondContact O-CB 3.5Å; G384-S388 PolarHBondContact O-N 2.71Å; G384-S388 VanDerWaalsContact O-N 3.1Å; G384-S388 PolarHBondContact O-OG 3.07Å; G384-S388 VanDerWaalsContact O-OG 3.05Å
389A84.2Confident93.6Very high11 Ų1140.4 Ų40.49%0.09123%0.228CC..BIsolated β-bridgetrans-157.4158.6-159.100000113A387 S391 P393 T459A387-A389 VanDerWaalsContact C-N 3.33Å; A387-A389 PolarHBondContact O-N 2.96Å; A389-S391 WeakPolarHBondContact CB-O 3.42Å; A389-S391 PolarHBondContact O-N 2.83Å; A389-P393 HydrophobicContact CB-CG 4.45Å; A389-T459 CarbonylContact C-O 3.55Å; A389-T459 WeakPolarHBondContact CA-O 3.4Å; A389-T459 WeakPolarHBondContact CB-O 3.43Å; A389-T459 WeakPolarHBondContact CB-OG1 3.41Å
390K91.2Very high93.4Very high45 Ų4542 Ų4220%0.19625%0.25CS..SBendtrans-62-26.8175.8-63.4176.6176.1176.80112.4L442 T459 S460 M461 S463 D464K390-L442 HydrophobicContact CB-CD1 4.31Å; K390-L442 HydrophobicContact CD-CD1 4.05Å; K390-T459 PolarHBondContact N-O 3.04Å; K390-S460 VanDerWaalsContact CE-O 3.22Å; K390-S460 WeakPolarHBondContact CE-O 3.08Å; K390-M461 HydrophobicContact CB-SD 4.37Å; K390-M461 HydrophobicContact CG-SD 3.58Å; K390-M461 VanDerWaalsContact CG-SD 3.58Å; K390-S463 PolarHBondContact NZ-O 2.9Å; K390-D464 IonicContact NZ-OD1 3.93Å
391S92.6Very high93.4Very high7 Ų743.6 Ų43.65%0.04926%0.258CS..SBendtrans-146-171.9172.6-167.40000108.8A389 P393A389-S391 WeakPolarHBondContact CB-O 3.42Å; A389-S391 PolarHBondContact O-N 2.83Å; S391-P393 WeakPolarHBondContact O-CD 3.49Å
392I94.3Very high93.4Very high2 Ų238.6 Ų38.61%0.0123%0.234CC..  trans-82116.3-175-47.7174.4000109.4Y353 I355 M380 A385 F386 A408 I413 I416 Y435Y353-I392 WeakPolarHBondContact OH-CG2 3.29Å; I355-I392 HydrophobicContact CD1-CB 3.8Å; I355-I392 HydrophobicContact CD1-CG2 3.47Å; I355-I392 VanDerWaalsContact CD1-CG2 3.47Å; I355-I392 HydrophobicContact CG1-CG2 4.01Å; M380-I392 HydrophobicContact CE-CD1 4.43Å; M380-I392 HydrophobicContact CE-CG2 3.85Å; A385-I392 HydrophobicContact CB-CG2 4.28Å; F386-I392 HydrophobicContact CD1-CD1 4.28Å; F386-I392 HydrophobicContact CD1-CG1 4.19Å; F386-I392 HydrophobicContact CE1-CD1 3.92Å; F386-I392 HydrophobicContact CE1-CG1 4.31Å; I392-A408 WeakPolarHBondContact O-CB 3.22Å; I392-I413 HydrophobicContact CB-CD1 3.76Å; I392-I413 HydrophobicContact CD1-CD1 4.41Å; I392-I413 HydrophobicContact CG1-CD1 4.19Å; I392-I416 HydrophobicContact CD1-CB 4.35Å; I392-I416 HydrophobicContact CD1-CG2 3.85Å; I392-Y435 HydrophobicContact CD1-CD2 4.3Å; I392-Y435 HydrophobicContact CD1-CG 4.4Å
393P95.1Very high93.5Very high4 Ų433 Ų333%0.02620%0.2CC..  trans-71.9149.8-179.930.3-33000111Y353 A385 A389 S391 S395 F396 G405Y353-P393 PolarHBondContact OH-O 3.31Å; A385-P393 VanDerWaalsContact O-CD 3.27Å; A385-P393 WeakPolarHBondContact O-CD 3.44Å; A389-P393 HydrophobicContact CB-CG 4.45Å; S391-P393 WeakPolarHBondContact O-CD 3.49Å; P393-S395 PolarHBondContact O-N 3.24Å; P393-F396 HydrophobicContact CG-CD1 4.33Å; P393-F396 HydrophobicContact CG-CE1 3.72Å; P393-F396 HydrophobicContact CG-CZ 4.35Å; P393-G405 WeakPolarHBondContact CB-O 3.4Å
394T97.3Very high93.5Very high1 Ų131 Ų311%0.00619%0.187CC..SBendtrans-64.7-41.7-179.2-58.50000111.9W259 Y354 I355 W403 N407 W409 L412W259-T394 HydrophobicContact CE3-CG2 4Å; W259-T394 HydrophobicContact CH2-CG2 3.61Å; W259-T394 HydrophobicContact CZ3-CG2 3.24Å; Y354-T394 WeakPolarHBondContact CA-O 3.45Å; I355-T394 HydrophobicContact CG2-CG2 4.34Å; I355-T394 PolarHBondContact N-O 2.93Å; T394-W403 HydrophobicContact CG2-CB 4.44Å; T394-W403 WeakPolarHBondContact CG2-O 3.27Å; T394-N407 WeakPolarHBondContact CB-O 3.06Å; T394-N407 PolarHBondContact N-O 2.85Å; T394-N407 PolarHBondContact OG1-O 3.05Å; T394-W409 VanDerWaalsContact OG1-CD1 3.31Å; T394-L412 HydrophobicContact CG2-CD1 4.11Å
395S96.7Very high93.5Very high0 Ų030.2 Ų30.20%018%0.18CC..BIsolated β-bridgetrans-154.8173.9173.985.80000109.9P393 I397 D404 G405P393-S395 PolarHBondContact O-N 3.24Å; S395-I397 PolarHBondContact OG-N 2.91Å; S395-I397 VanDerWaalsContact OG-N 3.11Å; S395-I397 PolarHBondContact OG-O 3.48Å; S395-D404 WeakPolarHBondContact CB-OD1 3.29Å; S395-D404 WeakPolarHBondContact OG-CA 3.25Å; S395-D404 PolarHBondContact OG-OD1 3.03Å; S395-G405 CarbonylContact O-C 3.59Å; S395-G405 VanDerWaalsContact O-C 3.3Å; S395-G405 WeakPolarHBondContact O-CA 3.24Å; S395-G405 PolarHBondContact O-N 2.93Å; S395-G405 PolarHBondContact OG-N 3.35Å
396F95.1Very high93.2Very high87 Ų8733.4 Ų33.438%0.38220%0.195SC..SBendtrans-96.61.3169.5-62.5-56.5000113.7Y353 V383 A385 P393Y353-F396 AromaticContact CD1-CD2 3.43Å; Y353-F396 HydrophobicContact CD1-CD2 3.43Å; Y353-F396 VanDerWaalsContact CD1-CD2 3.43Å; Y353-F396 AromaticContact CD1-CE2 3.36Å; Y353-F396 HydrophobicContact CD1-CE2 3.36Å; Y353-F396 HydrophobicContact CD1-CG 4.15Å; Y353-F396 HydrophobicContact CD1-CZ 4.06Å; Y353-F396 HydrophobicContact CE1-CD2 4.22Å; Y353-F396 AromaticContact CE1-CE2 3.87Å; Y353-F396 HydrophobicContact CE1-CE2 3.87Å; Y353-F396 HydrophobicContact CE1-CZ 4.1Å; Y353-F396 AromaticContact CG-CD2 3.95Å; Y353-F396 HydrophobicContact CG-CD2 3.95Å; Y353-F396 AromaticContact CG-CE2 3.75Å; Y353-F396 HydrophobicContact CG-CE2 3.75Å; V383-F396 HydrophobicContact CB-CE2 4.11Å; V383-F396 HydrophobicContact CG2-CE2 4.1Å; V383-F396 WeakPolarHBondContact O-CE2 3.1Å; V383-F396 VanDerWaalsContact O-CZ 3.28Å; V383-F396 WeakPolarHBondContact O-CZ 3.43Å; A385-F396 HydrophobicContact CB-CZ 4.47Å; P393-F396 HydrophobicContact CG-CD1 4.33Å; P393-F396 HydrophobicContact CG-CE1 3.72Å; P393-F396 HydrophobicContact CG-CZ 4.35Å
397I95.8Very high93.5Very high34 Ų3432.5 Ų32.517%0.17419%0.191CC..  trans-90.5120.9-174.5-65.4159.8000108.9S263 F274 Y354 S395 S399 D404 G405S263-I397 WeakPolarHBondContact OG-CB 3.39Å; S263-I397 WeakPolarHBondContact OG-CD1 3.4Å; F274-I397 HydrophobicContact CB-CG2 3.91Å; F274-I397 HydrophobicContact CD1-CD1 3.75Å; F274-I397 HydrophobicContact CD1-CG1 4.5Å; F274-I397 HydrophobicContact CD1-CG2 4.16Å; F274-I397 HydrophobicContact CE1-CD1 3.6Å; F274-I397 HydrophobicContact CE1-CG1 4.49Å; F274-I397 HydrophobicContact CG-CG2 4.07Å; F274-I397 HydrophobicContact CZ-CD1 4.4Å; Y354-I397 HydrophobicContact CE1-CD1 4.43Å; Y354-I397 WeakPolarHBondContact OH-CD1 3.49Å; S395-I397 PolarHBondContact OG-N 2.91Å; S395-I397 VanDerWaalsContact OG-N 3.11Å; S395-I397 PolarHBondContact OG-O 3.48Å; I397-S399 VanDerWaalsContact C-N 3.34Å; I397-S399 PolarHBondContact O-N 3.09Å; I397-S399 VanDerWaalsContact O-N 3.14Å; I397-D404 WeakPolarHBondContact O-CB 3.16Å; I397-G405 PolarHBondContact O-N 2.75Å
398K94Very high93.9Very high146 Ų14628.1 Ų28.164%0.63516%0.155SC*.  trans-87.573.5176.2-61-171.5178.1-162.50110.2E406K398-E406 WeakPolarHBondContact CE-OE1 3.49Å; K398-E406 IonicContact NZ-OE1 2.77Å; K398-E406 PolarHBondContact NZ-OE1 3.08Å
399S95.4Very high94.7Very high10 Ų1025.4 Ų25.47%0.0714%0.136CC..  trans-75.9-26.4-178.5630000113.4R275 I397 E401 D404R275-S399 PolarHBondContact NH1-O 3.45Å; I397-S399 VanDerWaalsContact C-N 3.34Å; I397-S399 PolarHBondContact O-N 3.09Å; I397-S399 VanDerWaalsContact O-N 3.14Å; S399-E401 WeakPolarHBondContact OG-CB 3.22Å; S399-E401 WeakPolarHBondContact OG-CG 3.39Å; S399-E401 PolarHBondContact OG-N 2.87Å; S399-D404 WeakPolarHBondContact CB-OD2 3.39Å; S399-D404 WeakPolarHBondContact OG-CB 3.39Å; S399-D404 PolarHBondContact OG-OD2 3.18Å
400G94.6Very high95.3Very high54 Ų5424.9 Ų24.956%0.55713%0.132SC*.SBendtrans96.3-11.4-166.700000112.9G470 G471G400-G470 VanDerWaalsContact O-CA 3.3Å; G400-G470 WeakPolarHBondContact O-CA 3.32Å; G400-G471 PolarHBondContact O-N 3.4Å; G400-G471 VanDerWaalsContact O-N 3.07Å
401E96.9Very high95.7Very high35 Ų3522.8 Ų22.816%0.16412%0.122CC..SBendtrans-84.4159.9177.8-49.8-60161.700112.4F261 F266 S399F261-E401 HydrophobicContact CB-CB 4.26Å; F261-E401 HydrophobicContact CB-CG 4.02Å; F261-E401 WeakPolarHBondContact O-CB 3.31Å; F266-E401 HydrophobicContact CE2-CG 3.67Å; F266-E401 HydrophobicContact CZ-CG 3.83Å; S399-E401 WeakPolarHBondContact OG-CB 3.22Å; S399-E401 WeakPolarHBondContact OG-CG 3.39Å; S399-E401 PolarHBondContact OG-N 2.87Å
402Q96.9Very high95.9Very high1 Ų122.5 Ų22.51%0.00512%0.121CC..THydrogen-bonded Turntrans-77.4-25.8-171.562.7176.7-1900114.8D260 D404 N407 W409 Y473D260-Q402 WeakPolarHBondContact O-CG 3.45Å; D260-Q402 PolarHBondContact O-NE2 3.04Å; Q402-D404 VanDerWaalsContact C-N 3.27Å; Q402-D404 PolarHBondContact O-N 3.19Å; Q402-N407 WeakPolarHBondContact O-CB 3.49Å; Q402-N407 PolarHBondContact O-ND2 2.9Å; Q402-W409 HydrophobicContact CB-CH2 4.43Å; Q402-W409 HydrophobicContact CB-CZ2 3.87Å; Q402-W409 HydrophobicContact CG-CH2 4.15Å; Q402-W409 HydrophobicContact CG-CZ2 3.88Å; Q402-W409 WeakPolarHBondContact O-CZ2 3.46Å; Q402-W409 PolarHBondContact O-NE1 2.82Å; Q402-W409 VanDerWaalsContact O-NE1 3.1Å; Q402-Y473 PolarHBondContact NE2-OH 2.77Å; Q402-Y473 VanDerWaalsContact NE2-OH 3.07Å; Q402-Y473 PolarHBondContact OE1-OH 2.83Å
403W97.9Very high96.1Very high4 Ų422.4 Ų22.42%0.01512%0.12CC..THydrogen-bonded Turntrans-96.148176.6-66.591.5000111.6W116 G258 W259 F261 S262 T394 W409 L412 W481W116-W403 AromaticContact CH2-CH2 3.43Å; W116-W403 HydrophobicContact CH2-CH2 3.43Å; W116-W403 VanDerWaalsContact CH2-CH2 3.43Å; W116-W403 HydrophobicContact CH2-CZ2 4.01Å; W116-W403 AromaticContact CH2-CZ3 3.93Å; W116-W403 HydrophobicContact CH2-CZ3 3.93Å; W116-W403 AromaticContact CZ2-CH2 3.48Å; W116-W403 HydrophobicContact CZ2-CH2 3.48Å; W116-W403 VanDerWaalsContact CZ2-CH2 3.48Å; W116-W403 AromaticContact CZ2-CZ2 3.68Å; W116-W403 HydrophobicContact CZ2-CZ2 3.68Å; W116-W403 HydrophobicContact CZ2-CZ3 4.4Å; G258-W403 WeakPolarHBondContact O-CZ2 3.47Å; G258-W403 PolarHBondContact O-NE1 3.23Å; W259-W403 VanDerWaalsContact C-CD1 3.43Å; W259-W403 VanDerWaalsContact CA-CD1 3.46Å; W259-W403 HydrophobicContact CB-CB 4.07Å; W259-W403 HydrophobicContact CB-CD2 4.1Å; W259-W403 HydrophobicContact CB-CE3 4.49Å; W259-W403 HydrophobicContact CB-CG 3.89Å; W259-W403 HydrophobicContact CD2-CB 4.17Å; W259-W403 HydrophobicContact CD2-CD2 4.06Å; W259-W403 AromaticContact CD2-CE3 3.6Å; W259-W403 HydrophobicContact CD2-CE3 3.6Å; W259-W403 HydrophobicContact CD2-CG 4.31Å; W259-W403 HydrophobicContact CD2-CZ3 4.33Å; W259-W403 AromaticContact CE2-CE3 3.79Å; W259-W403 HydrophobicContact CE3-CB 3.75Å; W259-W403 HydrophobicContact CE3-CD2 4.44Å; W259-W403 HydrophobicContact CE3-CE3 4.05Å; W259-W403 HydrophobicContact CE3-CG 4.37Å; W259-W403 HydrophobicContact CG-CB 4.34Å; W259-W403 AromaticContact CG-CD2 3.89Å; W259-W403 HydrophobicContact CG-CD2 3.89Å; W259-W403 AromaticContact CG-CE3 3.8Å; W259-W403 HydrophobicContact CG-CE3 3.8Å; W259-W403 HydrophobicContact CG-CG 4.14Å; W259-W403 HydrophobicContact CG-CZ3 4.41Å; W259-W403 HydrophobicContact CZ2-CE3 4.39Å; W259-W403 AromaticContact NE1-CZ3 3.97Å; F261-W403 WeakPolarHBondContact O-CB 3.31Å; F261-W403 PolarHBondContact O-N 3.4Å; S262-W403 WeakPolarHBondContact CB-O 3.28Å; S262-W403 PolarHBondContact OG-O 3.43Å; T394-W403 HydrophobicContact CG2-CB 4.44Å; T394-W403 WeakPolarHBondContact CG2-O 3.27Å; W403-W409 HydrophobicContact CD2-CD2 4.07Å; W403-W409 AromaticContact CD2-CE2 3.65Å; W403-W409 HydrophobicContact CD2-CG 4.44Å; W403-W409 HydrophobicContact CD2-CH2 4.36Å; W403-W409 AromaticContact CD2-CZ2 3.82Å; W403-W409 HydrophobicContact CD2-CZ2 3.82Å; W403-W409 AromaticContact CD2-NE1 3.83Å; W403-W409 AromaticContact CE2-CD2 3.95Å; W403-W409 AromaticContact CE2-CE2 3.71Å; W403-W409 AromaticContact CE2-CH2 3.64Å; W403-W409 AromaticContact CE2-CZ2 3.56Å; W403-W409 AromaticContact CE2-CZ3 3.86Å; W403-W409 HydrophobicContact CE3-CB 4.5Å; W403-W409 AromaticContact CE3-CD1 3.68Å; W403-W409 AromaticContact CE3-CD2 3.9Å; W403-W409 HydrophobicContact CE3-CD2 3.9Å; W403-W409 AromaticContact CE3-CE2 3.82Å; W403-W409 AromaticContact CE3-CG 3.81Å; W403-W409 HydrophobicContact CE3-CG 3.81Å; W403-W409 HydrophobicContact CE3-CZ2 4.45Å; W403-W409 AromaticContact CE3-NE1 3.72Å; W403-W409 HydrophobicContact CG-CZ2 4.07Å; W403-W409 HydrophobicContact CH2-CB 4.04Å; W403-W409 AromaticContact CH2-CD2 3.49Å; W403-W409 HydrophobicContact CH2-CD2 3.49Å; W403-W409 VanDerWaalsContact CH2-CD2 3.49Å; W403-W409 AromaticContact CH2-CE3 3.45Å; W403-W409 HydrophobicContact CH2-CE3 3.45Å; W403-W409 VanDerWaalsContact CH2-CE3 3.45Å; W403-W409 AromaticContact CH2-CG 3.77Å; W403-W409 HydrophobicContact CH2-CG 3.77Å; W403-W409 AromaticContact CH2-CZ3 3.99Å; W403-W409 HydrophobicContact CH2-CZ3 3.99Å; W403-W409 AromaticContact CZ2-CD2 3.67Å; W403-W409 HydrophobicContact CZ2-CD2 3.67Å; W403-W409 AromaticContact CZ2-CE2 3.94Å; W403-W409 AromaticContact CZ2-CE3 3.42Å; W403-W409 HydrophobicContact CZ2-CE3 3.42Å; W403-W409 VanDerWaalsContact CZ2-CE3 3.42Å; W403-W409 HydrophobicContact CZ2-CG 4.39Å; W403-W409 AromaticContact CZ2-CH2 3.74Å; W403-W409 HydrophobicContact CZ2-CH2 3.74Å; W403-W409 AromaticContact CZ2-CZ2 3.98Å; W403-W409 HydrophobicContact CZ2-CZ2 3.98Å; W403-W409 AromaticContact CZ2-CZ3 3.44Å; W403-W409 HydrophobicContact CZ2-CZ3 3.44Å; W403-W409 VanDerWaalsContact CZ2-CZ3 3.44Å; W403-W409 HydrophobicContact CZ3-CB 3.74Å; W403-W409 AromaticContact CZ3-CD1 3.79Å; W403-W409 AromaticContact CZ3-CD2 3.62Å; W403-W409 HydrophobicContact CZ3-CD2 3.62Å; W403-W409 HydrophobicContact CZ3-CE3 4.09Å; W403-W409 AromaticContact CZ3-CG 3.45Å; W403-W409 HydrophobicContact CZ3-CG 3.45Å; W403-W409 VanDerWaalsContact CZ3-CG 3.45Å; W403-W409 AromaticContact NE1-CH2 3.68Å; W403-W409 AromaticContact NE1-CZ2 3.69Å; W403-L412 HydrophobicContact CE3-CD1 4.02Å; W403-L412 HydrophobicContact CZ3-CD1 3.75Å; W403-L412 HydrophobicContact CZ3-CD2 4.49Å; W403-L412 HydrophobicContact CZ3-CG 4.12Å; W403-W481 AromaticContact CH2-CH2 3.97Å; W403-W481 HydrophobicContact CH2-CH2 3.97Å; W403-W481 HydrophobicContact CH2-CZ3 4.26Å; W403-W481 AromaticContact CZ2-CH2 3.85Å; W403-W481 HydrophobicContact CZ2-CH2 3.85Å; W403-W481 HydrophobicContact CZ2-CZ3 4.43Å
404D97.3Very high96.3Very high5 Ų522.3 Ų22.33%0.02712%0.119CC..SBendtrans-154167.1-175.9-98.1-34.2000112.1S263 S395 I397 S399 Q402 N407S263-D404 WeakPolarHBondContact CA-OD2 3.44Å; S263-D404 WeakPolarHBondContact CB-OD2 3.49Å; S263-D404 PolarHBondContact N-OD2 3.31Å; S263-D404 VanDerWaalsContact OG-CG 3.27Å; S263-D404 PolarHBondContact OG-OD1 2.86Å; S263-D404 PolarHBondContact OG-OD2 3.25Å; S263-D404 VanDerWaalsContact OG-OD2 3.11Å; S395-D404 WeakPolarHBondContact CB-OD1 3.29Å; S395-D404 WeakPolarHBondContact OG-CA 3.25Å; S395-D404 PolarHBondContact OG-OD1 3.03Å; I397-D404 WeakPolarHBondContact O-CB 3.16Å; S399-D404 WeakPolarHBondContact CB-OD2 3.39Å; S399-D404 WeakPolarHBondContact OG-CB 3.39Å; S399-D404 PolarHBondContact OG-OD2 3.18Å; Q402-D404 VanDerWaalsContact C-N 3.27Å; Q402-D404 PolarHBondContact O-N 3.19Å; D404-N407 PolarHBondContact O-N 2.66Å
405G93.3Very high96.3Very high6 Ų622.4 Ų22.46%0.06212%0.12CC..THydrogen-bonded Turntrans58.8-140.4171.400000113.2P393 S395 I397 N407P393-G405 WeakPolarHBondContact CB-O 3.4Å; S395-G405 CarbonylContact O-C 3.59Å; S395-G405 VanDerWaalsContact O-C 3.3Å; S395-G405 WeakPolarHBondContact O-CA 3.24Å; S395-G405 PolarHBondContact O-N 2.93Å; S395-G405 PolarHBondContact OG-N 3.35Å; I397-G405 PolarHBondContact O-N 2.75Å; G405-N407 PolarHBondContact O-N 3Å; G405-N407 VanDerWaalsContact O-N 3.08Å
406E88.8Confident96.4Very high67 Ų6722.4 Ų22.431%0.31312%0.12SC..THydrogen-bonded Turntrans-77.915.1-173.1-64.1167.3-163.900112.9K398 N458 T459 S460K398-E406 WeakPolarHBondContact CE-OE1 3.49Å; K398-E406 IonicContact NZ-OE1 2.77Å; K398-E406 PolarHBondContact NZ-OE1 3.08Å; E406-N458 CarbonylContact O-C 3.49Å; E406-N458 WeakPolarHBondContact O-CA 3.04Å; E406-T459 PolarHBondContact O-N 2.98Å; E406-T459 PolarHBondContact O-OG1 3.04Å; E406-T459 VanDerWaalsContact O-OG1 3.09Å; E406-S460 WeakPolarHBondContact OE2-CB 3.42Å; E406-S460 PolarHBondContact OE2-OG 3.44Å
407N95.8Very high96.5Very high14 Ų1418.3 Ų18.38%0.07510%0.102CC..EExtended strand (participates in β ladder)trans-85142.5170.8-70-24.1000110.9T394 Q402 D404 G405 Y457 G468 G469T394-N407 WeakPolarHBondContact CB-O 3.06Å; T394-N407 PolarHBondContact N-O 2.85Å; T394-N407 PolarHBondContact OG1-O 3.05Å; Q402-N407 WeakPolarHBondContact O-CB 3.49Å; Q402-N407 PolarHBondContact O-ND2 2.9Å; D404-N407 PolarHBondContact O-N 2.66Å; G405-N407 PolarHBondContact O-N 3Å; G405-N407 VanDerWaalsContact O-N 3.08Å; N407-Y457 CarbonylContact C-O 3.45Å; N407-Y457 WeakPolarHBondContact CA-O 3.4Å; N407-G468 WeakPolarHBondContact OD1-CA 3.44Å; N407-G469 PolarHBondContact ND2-O 3.15Å; N407-G469 PolarHBondContact OD1-N 3.44Å
408A96.6Very high96.6Very high0 Ų018 Ų180%010%0.1CC..EExtended strand (participates in β ladder)trans-124147.7165.700000111.5I392 I413 W439 Y457 T459I392-A408 WeakPolarHBondContact O-CB 3.22Å; A408-I413 HydrophobicContact CB-CD1 4.3Å; A408-I413 HydrophobicContact CB-CG1 4.45Å; A408-W439 HydrophobicContact CB-CZ3 3.92Å; A408-Y457 PolarHBondContact N-O 3.19Å; A408-Y457 PolarHBondContact O-N 2.92Å; A408-T459 HydrophobicContact CB-CG2 3.24Å
409W98Very high96.8Very high1 Ų111.2 Ų11.20%0.0047%0.071CC..  trans-126.6129.8-173.5-6481.8000109.5T394 Q402 W403 P411 L412 I413 E455 K456 W481T394-W409 VanDerWaalsContact OG1-CD1 3.31Å; Q402-W409 HydrophobicContact CB-CH2 4.43Å; Q402-W409 HydrophobicContact CB-CZ2 3.87Å; Q402-W409 HydrophobicContact CG-CH2 4.15Å; Q402-W409 HydrophobicContact CG-CZ2 3.88Å; Q402-W409 WeakPolarHBondContact O-CZ2 3.46Å; Q402-W409 PolarHBondContact O-NE1 2.82Å; Q402-W409 VanDerWaalsContact O-NE1 3.1Å; W403-W409 HydrophobicContact CD2-CD2 4.07Å; W403-W409 AromaticContact CD2-CE2 3.65Å; W403-W409 HydrophobicContact CD2-CG 4.44Å; W403-W409 HydrophobicContact CD2-CH2 4.36Å; W403-W409 AromaticContact CD2-CZ2 3.82Å; W403-W409 HydrophobicContact CD2-CZ2 3.82Å; W403-W409 AromaticContact CD2-NE1 3.83Å; W403-W409 AromaticContact CE2-CD2 3.95Å; W403-W409 AromaticContact CE2-CE2 3.71Å; W403-W409 AromaticContact CE2-CH2 3.64Å; W403-W409 AromaticContact CE2-CZ2 3.56Å; W403-W409 AromaticContact CE2-CZ3 3.86Å; W403-W409 HydrophobicContact CE3-CB 4.5Å; W403-W409 AromaticContact CE3-CD1 3.68Å; W403-W409 AromaticContact CE3-CD2 3.9Å; W403-W409 HydrophobicContact CE3-CD2 3.9Å; W403-W409 AromaticContact CE3-CE2 3.82Å; W403-W409 AromaticContact CE3-CG 3.81Å; W403-W409 HydrophobicContact CE3-CG 3.81Å; W403-W409 HydrophobicContact CE3-CZ2 4.45Å; W403-W409 AromaticContact CE3-NE1 3.72Å; W403-W409 HydrophobicContact CG-CZ2 4.07Å; W403-W409 HydrophobicContact CH2-CB 4.04Å; W403-W409 AromaticContact CH2-CD2 3.49Å; W403-W409 HydrophobicContact CH2-CD2 3.49Å; W403-W409 VanDerWaalsContact CH2-CD2 3.49Å; W403-W409 AromaticContact CH2-CE3 3.45Å; W403-W409 HydrophobicContact CH2-CE3 3.45Å; W403-W409 VanDerWaalsContact CH2-CE3 3.45Å; W403-W409 AromaticContact CH2-CG 3.77Å; W403-W409 HydrophobicContact CH2-CG 3.77Å; W403-W409 AromaticContact CH2-CZ3 3.99Å; W403-W409 HydrophobicContact CH2-CZ3 3.99Å; W403-W409 AromaticContact CZ2-CD2 3.67Å; W403-W409 HydrophobicContact CZ2-CD2 3.67Å; W403-W409 AromaticContact CZ2-CE2 3.94Å; W403-W409 AromaticContact CZ2-CE3 3.42Å; W403-W409 HydrophobicContact CZ2-CE3 3.42Å; W403-W409 VanDerWaalsContact CZ2-CE3 3.42Å; W403-W409 HydrophobicContact CZ2-CG 4.39Å; W403-W409 AromaticContact CZ2-CH2 3.74Å; W403-W409 HydrophobicContact CZ2-CH2 3.74Å; W403-W409 AromaticContact CZ2-CZ2 3.98Å; W403-W409 HydrophobicContact CZ2-CZ2 3.98Å; W403-W409 AromaticContact CZ2-CZ3 3.44Å; W403-W409 HydrophobicContact CZ2-CZ3 3.44Å; W403-W409 VanDerWaalsContact CZ2-CZ3 3.44Å; W403-W409 HydrophobicContact CZ3-CB 3.74Å; W403-W409 AromaticContact CZ3-CD1 3.79Å; W403-W409 AromaticContact CZ3-CD2 3.62Å; W403-W409 HydrophobicContact CZ3-CD2 3.62Å; W403-W409 HydrophobicContact CZ3-CE3 4.09Å; W403-W409 AromaticContact CZ3-CG 3.45Å; W403-W409 HydrophobicContact CZ3-CG 3.45Å; W403-W409 VanDerWaalsContact CZ3-CG 3.45Å; W403-W409 AromaticContact NE1-CH2 3.68Å; W403-W409 AromaticContact NE1-CZ2 3.69Å; W409-P411 VanDerWaalsContact C-CD 3.42Å; W409-P411 VanDerWaalsContact C-N 3.3Å; W409-L412 HydrophobicContact CB-CD1 4.19Å; W409-L412 HydrophobicContact CB-CG 4.2Å; W409-L412 PolarHBondContact O-N 3.36Å; W409-I413 PolarHBondContact O-N 2.8Å; W409-E455 HydrophobicContact CE3-CG 4.37Å; W409-E455 HydrophobicContact CH2-CG 4.2Å; W409-E455 HydrophobicContact CZ3-CG 3.6Å; W409-K456 HydrophobicContact CD2-CB 3.82Å; W409-K456 HydrophobicContact CE3-CB 3.97Å; W409-K456 HydrophobicContact CG-CB 4.45Å; W409-K456 HydrophobicContact CH2-CB 4.19Å; W409-K456 HydrophobicContact CH2-CD 3.35Å; W409-K456 HydrophobicContact CH2-CG 4.39Å; W409-K456 HydrophobicContact CZ2-CB 4.01Å; W409-K456 HydrophobicContact CZ2-CD 3.42Å; W409-K456 VanDerWaalsContact CZ2-CD 3.42Å; W409-K456 HydrophobicContact CZ2-CG 4.26Å; W409-K456 HydrophobicContact CZ3-CB 4.17Å; W409-K456 HydrophobicContact CZ3-CD 4Å; W409-W481 AromaticContact CE3-CH2 3.45Å; W409-W481 HydrophobicContact CE3-CH2 3.45Å; W409-W481 VanDerWaalsContact CE3-CH2 3.45Å; W409-W481 AromaticContact CE3-CZ2 3.19Å; W409-W481 HydrophobicContact CE3-CZ2 3.19Å; W409-W481 AromaticContact CZ3-CH2 3.46Å; W409-W481 HydrophobicContact CZ3-CH2 3.46Å; W409-W481 VanDerWaalsContact CZ3-CH2 3.46Å; W409-W481 AromaticContact CZ3-CZ2 3.26Å; W409-W481 HydrophobicContact CZ3-CZ2 3.26Å
410A98.3Very high96.9Very high0 Ų010.7 Ų10.70%07%0.068CC..Hα-helixtrans-50.6-43.5-176.500000113.3L412 I413 H414 W439 V485A410-L412 VanDerWaalsContact C-N 3.32Å; A410-L412 PolarHBondContact O-N 3.47Å; A410-I413 PolarHBondContact O-N 3.21Å; A410-H414 VanDerWaalsContact O-CB 3.3Å; A410-H414 WeakPolarHBondContact O-CB 3.38Å; A410-H414 PolarHBondContact O-N 3Å; A410-W439 HydrophobicContact CB-CH2 3.97Å; A410-W439 HydrophobicContact CB-CZ2 3.42Å; A410-W439 VanDerWaalsContact CB-CZ2 3.42Å; A410-V485 HydrophobicContact CB-CB 3.93Å; A410-V485 HydrophobicContact CB-CG1 4.25Å; A410-V485 HydrophobicContact CB-CG2 3.91Å
411P98.4Very high97Very high0 Ų09.8 Ų9.80%05%0.049CC..Hα-helixtrans-49.8-46.9173.3-35.340.3000115.5W120 W409 M415 W481W120-P411 HydrophobicContact CD2-CB 3.97Å; W120-P411 HydrophobicContact CD2-CG 3.88Å; W120-P411 VanDerWaalsContact CE2-CA 3.47Å; W120-P411 HydrophobicContact CE3-CB 3.98Å; W120-P411 HydrophobicContact CE3-CG 3.67Å; W120-P411 HydrophobicContact CH2-CB 3.49Å; W120-P411 VanDerWaalsContact CH2-CB 3.49Å; W120-P411 HydrophobicContact CH2-CG 4.06Å; W120-P411 HydrophobicContact CZ2-CB 3.45Å; W120-P411 VanDerWaalsContact CZ2-CB 3.45Å; W120-P411 HydrophobicContact CZ2-CG 4.23Å; W120-P411 HydrophobicContact CZ3-CB 3.73Å; W120-P411 HydrophobicContact CZ3-CG 3.75Å; W409-P411 VanDerWaalsContact C-CD 3.42Å; W409-P411 VanDerWaalsContact C-N 3.3Å; P411-M415 WeakPolarHBondContact O-CE 3.27Å; P411-M415 WeakPolarHBondContact O-CG 3.46Å; P411-M415 PolarHBondContact O-N 3.33Å; P411-W481 HydrophobicContact CG-CB 4.35Å; P411-W481 HydrophobicContact CG-CD2 3.57Å; P411-W481 HydrophobicContact CG-CE3 3.17Å; P411-W481 HydrophobicContact CG-CG 4.1Å; P411-W481 HydrophobicContact CG-CZ3 3.72Å
412L98.3Very high96.8Very high2 Ų211.1 Ų11.11%0.016%0.057CC..Hα-helixtrans-74.4-43.8-172.9-53.6-179.5000109.7W259 I355 T394 W403 W409 A410 H414 M415 I416W259-L412 HydrophobicContact CH2-CD1 3.66Å; W259-L412 HydrophobicContact CH2-CD2 4.48Å; W259-L412 HydrophobicContact CZ2-CD1 3.38Å; W259-L412 HydrophobicContact CZ2-CD2 3.51Å; W259-L412 HydrophobicContact CZ2-CG 4.09Å; I355-L412 HydrophobicContact CD1-CB 3.96Å; I355-L412 HydrophobicContact CG2-CB 4Å; I355-L412 HydrophobicContact CG2-CD1 3.41Å; I355-L412 VanDerWaalsContact CG2-CD1 3.41Å; I355-L412 HydrophobicContact CG2-CG 4.19Å; T394-L412 HydrophobicContact CG2-CD1 4.11Å; W403-L412 HydrophobicContact CE3-CD1 4.02Å; W403-L412 HydrophobicContact CZ3-CD1 3.75Å; W403-L412 HydrophobicContact CZ3-CD2 4.49Å; W403-L412 HydrophobicContact CZ3-CG 4.12Å; W409-L412 HydrophobicContact CB-CD1 4.19Å; W409-L412 HydrophobicContact CB-CG 4.2Å; W409-L412 PolarHBondContact O-N 3.36Å; A410-L412 VanDerWaalsContact C-N 3.32Å; A410-L412 PolarHBondContact O-N 3.47Å; L412-H414 VanDerWaalsContact C-N 3.32Å; L412-H414 PolarHBondContact O-N 3.46Å; L412-M415 HydrophobicContact CD2-CE 3.69Å; L412-M415 PolarHBondContact O-N 3.39Å; L412-I416 WeakPolarHBondContact O-CG1 3.01Å; L412-I416 PolarHBondContact O-N 3.43Å
413I97.9Very high96.7Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-58.8-46.7174.9-57.9-49.8000110.6I355 I392 A408 W409 A410 M415 I416 V417 W439 F489I355-I413 HydrophobicContact CD1-CD1 4.14Å; I392-I413 HydrophobicContact CB-CD1 3.76Å; I392-I413 HydrophobicContact CD1-CD1 4.41Å; I392-I413 HydrophobicContact CG1-CD1 4.19Å; A408-I413 HydrophobicContact CB-CD1 4.3Å; A408-I413 HydrophobicContact CB-CG1 4.45Å; W409-I413 PolarHBondContact O-N 2.8Å; A410-I413 PolarHBondContact O-N 3.21Å; I413-M415 PolarHBondContact O-N 3.42Å; I413-I416 PolarHBondContact O-N 3.17Å; I413-V417 HydrophobicContact CG2-CG2 4.24Å; I413-V417 WeakPolarHBondContact O-CB 3.17Å; I413-V417 VanDerWaalsContact O-CG2 3.3Å; I413-V417 WeakPolarHBondContact O-CG2 3.48Å; I413-V417 PolarHBondContact O-N 3.3Å; I413-W439 HydrophobicContact CB-CD2 4.34Å; I413-W439 HydrophobicContact CB-CE3 4.17Å; I413-W439 HydrophobicContact CG1-CD2 4.22Å; I413-W439 HydrophobicContact CG1-CE3 3.56Å; I413-W439 HydrophobicContact CG1-CZ3 3.71Å; I413-W439 HydrophobicContact CG2-CB 3.9Å; I413-W439 HydrophobicContact CG2-CD2 4.05Å; I413-W439 HydrophobicContact CG2-CE3 4.13Å; I413-W439 HydrophobicContact CG2-CG 3.98Å; I413-F489 HydrophobicContact CG2-CE2 3.94Å; I413-F489 HydrophobicContact CG2-CZ 4.43Å
414H98.4Very high96.3Very high2 Ų213.7 Ų13.71%0.0098%0.083CC..Hα-helixtrans-54.2-52.4175.6172.2-85.8000112.4W120 K123 A410 L412 I416 V417 E418 V485W120-H414 AromaticContact CD1-CG 3.79Å; W120-H414 AromaticContact CD1-ND1 3.94Å; W120-H414 AromaticContact NE1-CG 3.46Å; W120-H414 AromaticContact NE1-ND1 3.28Å; W120-H414 PolarHBondContact NE1-ND1 3.49Å; K123-H414 WeakPolarHBondContact CD-NE2 3.39Å; K123-H414 WeakPolarHBondContact CE-NE2 3.22Å; A410-H414 VanDerWaalsContact O-CB 3.3Å; A410-H414 WeakPolarHBondContact O-CB 3.38Å; A410-H414 PolarHBondContact O-N 3Å; L412-H414 VanDerWaalsContact C-N 3.32Å; L412-H414 PolarHBondContact O-N 3.46Å; H414-I416 VanDerWaalsContact C-N 3.34Å; H414-I416 PolarHBondContact O-N 3.34Å; H414-V417 PolarHBondContact O-N 2.75Å; H414-E418 IonicContact CE1-OE2 2.61Å; H414-E418 PolarHBondContact CE1-OE2 3.07Å; H414-E418 IonicContact NE2-OE2 3.19Å; H414-E418 PolarHBondContact NE2-OE2 2.89Å; H414-E418 WeakPolarHBondContact O-CB 3.41Å; H414-E418 PolarHBondContact O-N 2.93Å; H414-V485 HydrophobicContact CB-CG1 4.11Å; H414-V485 HydrophobicContact CB-CG2 3.74Å
415M98.4Very high96.2Very high2 Ų214 Ų141%0.019%0.085CC..Hα-helixtrans-63.4-38.4-178.2-73.4-174.3-73.100112.6W120 F292 V359 Y362 P411 L412 I413 G419W120-M415 HydrophobicContact CH2-CE 4.48Å; W120-M415 HydrophobicContact CZ2-CE 4.13Å; W120-M415 HydrophobicContact CZ2-CG 4.37Å; W120-M415 HydrophobicContact CZ2-SD 4.31Å; F292-M415 HydrophobicContact CE1-SD 3.72Å; F292-M415 HydrophobicContact CZ-CE 4.32Å; F292-M415 HydrophobicContact CZ-SD 3.69Å; V359-M415 HydrophobicContact CG1-CE 4.36Å; V359-M415 HydrophobicContact CG1-SD 3.84Å; V359-M415 HydrophobicContact CG2-CE 4.01Å; V359-M415 HydrophobicContact CG2-SD 4.38Å; Y362-M415 HydrophobicContact CD1-CB 4.48Å; Y362-M415 HydrophobicContact CD1-CG 3.83Å; Y362-M415 HydrophobicContact CD1-SD 3.97Å; Y362-M415 HydrophobicContact CD2-CB 4.36Å; Y362-M415 HydrophobicContact CD2-CG 4.16Å; Y362-M415 HydrophobicContact CE1-CG 4.25Å; Y362-M415 HydrophobicContact CE1-SD 4.44Å; Y362-M415 HydrophobicContact CG-CB 4.01Å; Y362-M415 HydrophobicContact CG-CG 3.79Å; Y362-M415 HydrophobicContact CG-SD 4.43Å; P411-M415 WeakPolarHBondContact O-CE 3.27Å; P411-M415 WeakPolarHBondContact O-CG 3.46Å; P411-M415 PolarHBondContact O-N 3.33Å; L412-M415 HydrophobicContact CD2-CE 3.69Å; L412-M415 PolarHBondContact O-N 3.39Å; I413-M415 PolarHBondContact O-N 3.42Å; M415-G419 PolarHBondContact O-N 2.9Å
416I97.7Very high96.4Very high0 Ų017.9 Ų17.90%011%0.109CC..Hα-helixtrans-69.4-46177.9-61.7-39.8000111.4I355 A358 V359 M380 I392 L412 I413 H414 G419 F420I355-I416 HydrophobicContact CD1-CG1 3.86Å; I355-I416 HydrophobicContact CG1-CD1 4.23Å; I355-I416 HydrophobicContact CG1-CG1 3.67Å; A358-I416 HydrophobicContact CB-CD1 3.47Å; A358-I416 VanDerWaalsContact CB-CD1 3.47Å; V359-I416 HydrophobicContact CG2-CD1 4.4Å; M380-I416 HydrophobicContact CE-CG2 4.3Å; M380-I416 HydrophobicContact SD-CG2 4.45Å; I392-I416 HydrophobicContact CD1-CB 4.35Å; I392-I416 HydrophobicContact CD1-CG2 3.85Å; L412-I416 WeakPolarHBondContact O-CG1 3.01Å; L412-I416 PolarHBondContact O-N 3.43Å; I413-I416 PolarHBondContact O-N 3.17Å; H414-I416 VanDerWaalsContact C-N 3.34Å; H414-I416 PolarHBondContact O-N 3.34Å; I416-G419 PolarHBondContact O-N 3.43Å; I416-F420 HydrophobicContact CG2-CD2 3.7Å; I416-F420 HydrophobicContact CG2-CE2 3.44Å; I416-F420 VanDerWaalsContact CG2-CE2 3.44Å; I416-F420 HydrophobicContact CG2-CZ 4.5Å; I416-F420 WeakPolarHBondContact O-CD2 3.47Å; I416-F420 PolarHBondContact O-N 3.26Å
417V98Very high96.8Very high1 Ų119.5 Ų19.51%0.00612%0.12CC..Hα-helixtrans-60.2-50.1177.2168.70000110.5I413 H414 G419 F420 Q421 A432 A436 F489 Y493I413-V417 HydrophobicContact CG2-CG2 4.24Å; I413-V417 WeakPolarHBondContact O-CB 3.17Å; I413-V417 VanDerWaalsContact O-CG2 3.3Å; I413-V417 WeakPolarHBondContact O-CG2 3.48Å; I413-V417 PolarHBondContact O-N 3.3Å; H414-V417 PolarHBondContact O-N 2.75Å; V417-G419 VanDerWaalsContact C-N 3.33Å; V417-G419 PolarHBondContact O-N 3.03Å; V417-F420 PolarHBondContact O-N 2.84Å; V417-Q421 WeakPolarHBondContact O-CB 3.45Å; V417-Q421 PolarHBondContact O-N 3.32Å; V417-A432 HydrophobicContact CG1-CB 4.27Å; V417-A432 WeakPolarHBondContact O-CB 3.32Å; V417-A436 HydrophobicContact CG1-CB 4.08Å; V417-A436 HydrophobicContact CG2-CB 4.44Å; V417-F489 HydrophobicContact CB-CE1 4.2Å; V417-F489 HydrophobicContact CB-CZ 3.72Å; V417-F489 HydrophobicContact CG1-CE1 3.82Å; V417-F489 HydrophobicContact CG1-CZ 3.79Å; V417-F489 HydrophobicContact CG2-CE2 4.25Å; V417-F489 HydrophobicContact CG2-CZ 3.81Å; V417-Y493 HydrophobicContact CG1-CE2 4.26Å
418E97.4Very high96.8Very high28 Ų2818.8 Ų18.813%0.13112%0.116CC..Hα-helixtrans-65.2-38179.6-170.6174.2154.900111.6R170 Y362 H414 F420 Q421 L422R170-E418 IonicContact NH2-OE1 3.19Å; R170-E418 PolarHBondContact NH2-OE1 2.68Å; Y362-E418 HydrophobicContact CD2-CB 4.1Å; Y362-E418 HydrophobicContact CD2-CG 4.22Å; Y362-E418 HydrophobicContact CE2-CB 4.37Å; Y362-E418 HydrophobicContact CE2-CG 4.22Å; Y362-E418 WeakPolarHBondContact CE2-OE2 3.27Å; H414-E418 IonicContact CE1-OE2 2.61Å; H414-E418 PolarHBondContact CE1-OE2 3.07Å; H414-E418 IonicContact NE2-OE2 3.19Å; H414-E418 PolarHBondContact NE2-OE2 2.89Å; H414-E418 WeakPolarHBondContact O-CB 3.41Å; H414-E418 PolarHBondContact O-N 2.93Å; E418-F420 PolarHBondContact O-N 3.41Å; E418-Q421 PolarHBondContact O-N 3.46Å; E418-L422 HydrophobicContact CG-CD1 3.69Å; E418-L422 HydrophobicContact CG-CG 4.16Å; E418-L422 WeakPolarHBondContact O-CB 3.28Å; E418-L422 WeakPolarHBondContact O-CG 3.32Å; E418-L422 PolarHBondContact O-N 3.44Å
419G97.6Very high96.8Very high3 Ų321.9 Ų21.93%0.03113%0.131CC..Hα-helixtrans-59.3-44.2175.400000113.4M415 I416 V417M415-G419 PolarHBondContact O-N 2.9Å; I416-G419 PolarHBondContact O-N 3.43Å; V417-G419 VanDerWaalsContact C-N 3.33Å; V417-G419 PolarHBondContact O-N 3.03Å
420F97.7Very high96.7Very high0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-72.9-40.7175.3-73.9-50.9000112.5L361 A373 V376 Y377 M380 F386 I416 V417 E418 L422 S423 L428 A432L361-F420 HydrophobicContact CD1-CD1 3.82Å; L361-F420 HydrophobicContact CD1-CE1 3.47Å; L361-F420 VanDerWaalsContact CD1-CE1 3.47Å; L361-F420 HydrophobicContact CD1-CG 4.46Å; L361-F420 HydrophobicContact CD1-CZ 3.88Å; A373-F420 HydrophobicContact CB-CD1 4.5Å; V376-F420 HydrophobicContact CG1-CZ 4.38Å; Y377-F420 HydrophobicContact CD2-CZ 4.5Å; M380-F420 HydrophobicContact SD-CE2 4.19Å; M380-F420 HydrophobicContact SD-CZ 4.01Å; F386-F420 HydrophobicContact CZ-CE2 4.06Å; F386-F420 HydrophobicContact CZ-CZ 4.28Å; I416-F420 HydrophobicContact CG2-CD2 3.7Å; I416-F420 HydrophobicContact CG2-CE2 3.44Å; I416-F420 VanDerWaalsContact CG2-CE2 3.44Å; I416-F420 HydrophobicContact CG2-CZ 4.5Å; I416-F420 WeakPolarHBondContact O-CD2 3.47Å; I416-F420 PolarHBondContact O-N 3.26Å; V417-F420 PolarHBondContact O-N 2.84Å; E418-F420 PolarHBondContact O-N 3.41Å; F420-L422 PolarHBondContact O-N 3.42Å; F420-S423 WeakPolarHBondContact O-CB 3.47Å; F420-S423 PolarHBondContact O-N 3.45Å; F420-S423 VanDerWaalsContact O-N 3.13Å; F420-S423 PolarHBondContact O-OG 2.7Å; F420-L428 HydrophobicContact CB-CB 4.46Å; F420-L428 HydrophobicContact CD1-CB 4.4Å; F420-L428 HydrophobicContact CD1-CD1 4.26Å; F420-L428 HydrophobicContact CD1-CD2 4.34Å; F420-A432 HydrophobicContact CB-CB 3.89Å
421Q96.6Very high96.6Very high35 Ų3529.8 Ų29.816%0.16417%0.17CC..Hα-helixtrans-61.1-33.1179.2-178.566.86700112.9V417 E418 S423 E429 A432 Y493V417-Q421 WeakPolarHBondContact O-CB 3.45Å; V417-Q421 PolarHBondContact O-N 3.32Å; E418-Q421 PolarHBondContact O-N 3.46Å; Q421-S423 VanDerWaalsContact C-N 3.33Å; Q421-E429 WeakPolarHBondContact O-CG 3.37Å; Q421-A432 HydrophobicContact CB-CB 3.98Å; Q421-Y493 PolarHBondContact OE1-OH 3.31Å
422L94.5Very high96.5Very high63 Ų6329.8 Ų29.833%0.3317%0.17SC..THydrogen-bonded Turntrans-93.312.3-179.7-63.6178.5000113.3E418 F420 G424E418-L422 HydrophobicContact CG-CD1 3.69Å; E418-L422 HydrophobicContact CG-CG 4.16Å; E418-L422 WeakPolarHBondContact O-CB 3.28Å; E418-L422 WeakPolarHBondContact O-CG 3.32Å; E418-L422 PolarHBondContact O-N 3.44Å; F420-L422 PolarHBondContact O-N 3.42Å; L422-G424 VanDerWaalsContact C-N 3.32Å; L422-G424 PolarHBondContact O-N 2.77Å
423S94.4Very high96.4Very high6 Ų633 Ų334%0.04219%0.185CC..SBendtrans-76.1-17-178.567.70000114.5N370 A373 F420 Q421 N425N370-S423 PolarHBondContact N-O 3.35Å; A373-S423 VanDerWaalsContact CB-CB 3.46Å; F420-S423 WeakPolarHBondContact O-CB 3.47Å; F420-S423 PolarHBondContact O-N 3.45Å; F420-S423 VanDerWaalsContact O-N 3.13Å; F420-S423 PolarHBondContact O-OG 2.7Å; Q421-S423 VanDerWaalsContact C-N 3.33Å; S423-N425 PolarHBondContact O-N 3.25Å; S423-N425 PolarHBondContact OG-N 2.91Å
424G90Very high96.3Very high52 Ų5241 Ų4154%0.53622%0.215SC..SBendtrans67.916.2-172.200000113.8L422L422-G424 VanDerWaalsContact C-N 3.32Å; L422-G424 PolarHBondContact O-N 2.77Å
425N95Very high96.2Very high12 Ų1241.6 Ų41.66%0.06422%0.217CC..  trans-104.6115.5172.7-178-50000109.3N370 M374 S423 D427 L428 E429N370-N425 HydrophobicContact CB-CB 4.41Å; N370-N425 WeakPolarHBondContact OD1-CB 3.42Å; N370-N425 PolarHBondContact OD1-ND2 3.02Å; M374-N425 VanDerWaalsContact CE-ND2 3.34Å; M374-N425 WeakPolarHBondContact CE-ND2 3.38Å; S423-N425 PolarHBondContact O-N 3.25Å; S423-N425 PolarHBondContact OG-N 2.91Å; N425-D427 VanDerWaalsContact C-N 3.29Å; N425-D427 PolarHBondContact O-N 2.73Å; N425-D427 WeakPolarHBondContact OD1-CA 3.47Å; N425-D427 VanDerWaalsContact OD1-CB 3.32Å; N425-D427 WeakPolarHBondContact OD1-CB 3.27Å; N425-D427 PolarHBondContact OD1-N 2.9Å; N425-L428 HydrophobicContact CB-CB 4.04Å; N425-L428 HydrophobicContact CB-CD1 3.9Å; N425-L428 HydrophobicContact CB-CG 3.94Å; N425-L428 PolarHBondContact O-N 3.07Å; N425-L428 PolarHBondContact OD1-N 3.39Å; N425-E429 WeakPolarHBondContact O-CG 3.37Å; N425-E429 PolarHBondContact O-N 3.46Å
426P96.2Very high96.1Very high87 Ų8741.5 Ų41.557%0.56522%0.217SC*.Hα-helixtrans-56.5-36.6-178.6-27.835.7000114.8E429 M430P426-E429 PolarHBondContact O-N 3.48Å; P426-M430 WeakPolarHBondContact O-CG 3.49Å; P426-M430 PolarHBondContact O-N 3.17Å
427D96.7Very high96Very high101 Ų10141.8 Ų41.854%0.5422%0.219SC..Hα-helixtrans-65.8-42.9178-58.3-35.9000110.4N425 E429 M430 I431N425-D427 VanDerWaalsContact C-N 3.29Å; N425-D427 PolarHBondContact O-N 2.73Å; N425-D427 WeakPolarHBondContact OD1-CA 3.47Å; N425-D427 VanDerWaalsContact OD1-CB 3.32Å; N425-D427 WeakPolarHBondContact OD1-CB 3.27Å; N425-D427 PolarHBondContact OD1-N 2.9Å; D427-E429 VanDerWaalsContact C-N 3.35Å; D427-M430 PolarHBondContact O-N 2.98Å; D427-I431 WeakPolarHBondContact O-CB 3.49Å; D427-I431 WeakPolarHBondContact O-CD1 3.3Å; D427-I431 VanDerWaalsContact O-CG1 3.26Å; D427-I431 WeakPolarHBondContact O-CG1 3.36Å; D427-I431 PolarHBondContact O-N 2.76Å
428L97.1Very high95.9Very high0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-71.2-30.8178.4-61.2-179.2000112.4A373 M374 Y377 F420 N425 I431 A432A373-L428 HydrophobicContact CB-CD1 3.44Å; A373-L428 VanDerWaalsContact CB-CD1 3.44Å; M374-L428 HydrophobicContact CB-CD1 4.37Å; M374-L428 HydrophobicContact CE-CD1 4.2Å; M374-L428 HydrophobicContact CE-CD2 3.87Å; M374-L428 HydrophobicContact CE-CG 3.87Å; M374-L428 HydrophobicContact SD-CD2 4.34Å; Y377-L428 HydrophobicContact CD1-CD2 4.13Å; Y377-L428 HydrophobicContact CD2-CD2 4.12Å; Y377-L428 HydrophobicContact CG-CD2 3.68Å; F420-L428 HydrophobicContact CB-CB 4.46Å; F420-L428 HydrophobicContact CD1-CB 4.4Å; F420-L428 HydrophobicContact CD1-CD1 4.26Å; F420-L428 HydrophobicContact CD1-CD2 4.34Å; N425-L428 HydrophobicContact CB-CB 4.04Å; N425-L428 HydrophobicContact CB-CD1 3.9Å; N425-L428 HydrophobicContact CB-CG 3.94Å; N425-L428 PolarHBondContact O-N 3.07Å; N425-L428 PolarHBondContact OD1-N 3.39Å; L428-I431 HydrophobicContact CD2-CD1 3.98Å; L428-I431 PolarHBondContact O-N 3.15Å; L428-A432 WeakPolarHBondContact O-CB 3.35Å; L428-A432 PolarHBondContact O-N 3.13Å
429E96.9Very high95.8Very high65 Ų6542.4 Ų42.430%0.30422%0.223SC..Hα-helixtrans-64.7-43.9172.3-70.4173.6-152.200111.2Q421 N425 P426 D427 I431 A432 E433Q421-E429 WeakPolarHBondContact O-CG 3.37Å; N425-E429 WeakPolarHBondContact O-CG 3.37Å; N425-E429 PolarHBondContact O-N 3.46Å; P426-E429 PolarHBondContact O-N 3.48Å; D427-E429 VanDerWaalsContact C-N 3.35Å; E429-I431 VanDerWaalsContact C-N 3.32Å; E429-I431 PolarHBondContact O-N 3.4Å; E429-A432 WeakPolarHBondContact O-CB 3.04Å; E429-A432 PolarHBondContact O-N 2.89Å; E429-E433 PolarHBondContact O-N 3.16Å
430M96.2Very high95.7Very high139 Ų13942.2 Ų42.269%0.68522%0.221SC*.Hα-helixtrans-62.9-39.4172.8-71.8179.660.100112.2P426 D427 A432 E433 R434P426-M430 WeakPolarHBondContact O-CG 3.49Å; P426-M430 PolarHBondContact O-N 3.17Å; D427-M430 PolarHBondContact O-N 2.98Å; M430-A432 VanDerWaalsContact C-N 3.34Å; M430-E433 PolarHBondContact O-N 3.26Å; M430-R434 PolarHBondContact O-N 3.14Å
431I94.8Very high95.6Very high27 Ų2744.5 Ų44.514%0.13823%0.233CC..Hα-helixtrans-63.9-40.8175-75160.3000110.9Y377 D427 L428 E429 R434 Y435Y377-I431 HydrophobicContact CD2-CD1 4.05Å; Y377-I431 HydrophobicContact CD2-CG2 4.1Å; Y377-I431 HydrophobicContact CE1-CD1 4.05Å; Y377-I431 HydrophobicContact CE2-CD1 3.52Å; Y377-I431 HydrophobicContact CE2-CG1 4.23Å; Y377-I431 HydrophobicContact CE2-CG2 3.82Å; Y377-I431 VanDerWaalsContact CZ-CD1 3.5Å; D427-I431 WeakPolarHBondContact O-CB 3.49Å; D427-I431 WeakPolarHBondContact O-CD1 3.3Å; D427-I431 VanDerWaalsContact O-CG1 3.26Å; D427-I431 WeakPolarHBondContact O-CG1 3.36Å; D427-I431 PolarHBondContact O-N 2.76Å; L428-I431 HydrophobicContact CD2-CD1 3.98Å; L428-I431 PolarHBondContact O-N 3.15Å; E429-I431 VanDerWaalsContact C-N 3.32Å; E429-I431 PolarHBondContact O-N 3.4Å; I431-R434 WeakPolarHBondContact O-CB 3.4Å; I431-R434 PolarHBondContact O-N 2.84Å; I431-Y435 HydrophobicContact CG2-CD2 3.76Å; I431-Y435 HydrophobicContact CG2-CE2 3.08Å; I431-Y435 WeakPolarHBondContact O-CD2 3.35Å; I431-Y435 PolarHBondContact O-N 3.29Å
432A96.8Very high95.5Very high0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-61.5-45.3176.100000111.6V417 F420 Q421 L428 E429 M430 R434 Y435 A436V417-A432 HydrophobicContact CG1-CB 4.27Å; V417-A432 WeakPolarHBondContact O-CB 3.32Å; F420-A432 HydrophobicContact CB-CB 3.89Å; Q421-A432 HydrophobicContact CB-CB 3.98Å; L428-A432 WeakPolarHBondContact O-CB 3.35Å; L428-A432 PolarHBondContact O-N 3.13Å; E429-A432 WeakPolarHBondContact O-CB 3.04Å; E429-A432 PolarHBondContact O-N 2.89Å; M430-A432 VanDerWaalsContact C-N 3.34Å; A432-R434 VanDerWaalsContact C-N 3.33Å; A432-R434 PolarHBondContact O-N 3.32Å; A432-Y435 PolarHBondContact O-N 2.65Å; A432-A436 PolarHBondContact O-N 2.97Å
433E96.8Very high95.6Very high69 Ų6940.5 Ų40.532%0.32221%0.213SC..Hα-helixtrans-55.2-48.9172.6173.1173.512200110.8E429 M430 Y435 A436 V437 Y493 A496 R499E429-E433 PolarHBondContact O-N 3.16Å; M430-E433 PolarHBondContact O-N 3.26Å; E433-Y435 VanDerWaalsContact C-N 3.31Å; E433-Y435 PolarHBondContact O-N 2.96Å; E433-A436 WeakPolarHBondContact O-CB 3.45Å; E433-A436 PolarHBondContact O-N 3.06Å; E433-V437 HydrophobicContact CG-CG2 4.47Å; E433-V437 WeakPolarHBondContact O-CG2 3.45Å; E433-V437 PolarHBondContact O-N 3.21Å; E433-Y493 HydrophobicContact CB-CD1 3.86Å; E433-Y493 HydrophobicContact CB-CE1 3.84Å; E433-Y493 HydrophobicContact CG-CD1 3.71Å; E433-Y493 HydrophobicContact CG-CE1 4.23Å; E433-Y493 HydrophobicContact CG-CG 4.49Å; E433-A496 HydrophobicContact CG-CB 3.65Å; E433-A496 WeakPolarHBondContact OE1-CB 3.33Å; E433-R499 IonicContact OE1-NH2 3.24Å; E433-R499 PolarHBondContact OE1-NH2 3.37Å
434R95.2Very high95.6Very high169 Ų16941.6 Ų41.664%0.63822%0.216SC*.Hα-helixtrans-58.5-41.6178.9-175.1178.3178.9-173.8-0.4112.4M430 I431 A432 V437 N438M430-R434 PolarHBondContact O-N 3.14Å; I431-R434 WeakPolarHBondContact O-CB 3.4Å; I431-R434 PolarHBondContact O-N 2.84Å; A432-R434 VanDerWaalsContact C-N 3.33Å; A432-R434 PolarHBondContact O-N 3.32Å; R434-V437 PolarHBondContact O-N 3.03Å; R434-N438 PolarHBondContact O-N 3.26Å; R434-N438 PolarHBondContact O-OD1 3.04Å
435Y95.4Very high95.8Very high15 Ų1543.8 Ų43.86%0.05921%0.213CC..Hα-helixtrans-72.9-33.8179.2-63-33.1000113.3F386 I392 I431 A432 E433 V437 N438 W439F386-Y435 HydrophobicContact CB-CE1 4.11Å; F386-Y435 WeakPolarHBondContact CB-OH 3.32Å; F386-Y435 HydrophobicContact CD1-CD1 4.48Å; F386-Y435 HydrophobicContact CD1-CD2 4.42Å; F386-Y435 AromaticContact CD1-CE1 3.69Å; F386-Y435 HydrophobicContact CD1-CE1 3.69Å; F386-Y435 AromaticContact CD1-CE2 3.58Å; F386-Y435 HydrophobicContact CD1-CE2 3.58Å; F386-Y435 AromaticContact CD1-CZ 3.19Å; F386-Y435 WeakPolarHBondContact CD1-OH 3.29Å; F386-Y435 AromaticContact CD2-CZ 4Å; F386-Y435 WeakPolarHBondContact CD2-OH 3.32Å; F386-Y435 HydrophobicContact CE1-CD2 4.11Å; F386-Y435 HydrophobicContact CE1-CE1 4.29Å; F386-Y435 AromaticContact CE1-CE2 3.29Å; F386-Y435 HydrophobicContact CE1-CE2 3.29Å; F386-Y435 AromaticContact CE1-CZ 3.46Å; F386-Y435 VanDerWaalsContact CE1-CZ 3.46Å; F386-Y435 HydrophobicContact CE2-CE2 4.34Å; F386-Y435 WeakPolarHBondContact CE2-OH 3.5Å; F386-Y435 HydrophobicContact CG-CE1 4.02Å; F386-Y435 HydrophobicContact CG-CE2 4.22Å; F386-Y435 AromaticContact CG-CZ 3.49Å; F386-Y435 VanDerWaalsContact CG-CZ 3.49Å; F386-Y435 WeakPolarHBondContact CG-OH 3.41Å; F386-Y435 AromaticContact CZ-CE2 3.71Å; F386-Y435 HydrophobicContact CZ-CE2 3.71Å; F386-Y435 AromaticContact CZ-CZ 3.95Å; I392-Y435 HydrophobicContact CD1-CD2 4.3Å; I392-Y435 HydrophobicContact CD1-CG 4.4Å; I431-Y435 HydrophobicContact CG2-CD2 3.76Å; I431-Y435 HydrophobicContact CG2-CE2 3.08Å; I431-Y435 WeakPolarHBondContact O-CD2 3.35Å; I431-Y435 PolarHBondContact O-N 3.29Å; A432-Y435 PolarHBondContact O-N 2.65Å; E433-Y435 VanDerWaalsContact C-N 3.31Å; E433-Y435 PolarHBondContact O-N 2.96Å; Y435-V437 VanDerWaalsContact C-N 3.33Å; Y435-N438 PolarHBondContact O-N 2.96Å; Y435-W439 PolarHBondContact O-N 3.33Å
436A97.1Very high95.8Very high0 Ų043.3 Ų43.30%021%0.21CC..Hα-helixtrans-61-45.3169.400000110.7V417 A432 E433 N438 W439 L440 F489 Y493V417-A436 HydrophobicContact CG1-CB 4.08Å; V417-A436 HydrophobicContact CG2-CB 4.44Å; A432-A436 PolarHBondContact O-N 2.97Å; E433-A436 WeakPolarHBondContact O-CB 3.45Å; E433-A436 PolarHBondContact O-N 3.06Å; A436-N438 PolarHBondContact O-N 3.44Å; A436-W439 WeakPolarHBondContact O-CB 3.33Å; A436-W439 PolarHBondContact O-N 2.91Å; A436-L440 WeakPolarHBondContact O-CG 3.4Å; A436-L440 PolarHBondContact O-N 3.11Å; A436-F489 HydrophobicContact CB-CB 4.46Å; A436-F489 HydrophobicContact CB-CD1 4.32Å; A436-F489 HydrophobicContact CB-CD2 3.86Å; A436-F489 HydrophobicContact CB-CE2 4.08Å; A436-F489 HydrophobicContact CB-CG 3.98Å; A436-F489 HydrophobicContact CB-CZ 4.38Å; A436-Y493 HydrophobicContact CB-CD2 3.3Å; A436-Y493 HydrophobicContact CB-CE2 3.45Å; A436-Y493 VanDerWaalsContact CB-CE2 3.45Å; A436-Y493 HydrophobicContact CB-CG 3.99Å
437V95.9Very high95.8Very high6 Ų639.7 Ų39.74%0.03619%0.185CC..Hα-helixtrans-62.9-41.4176.91720000112E433 R434 Y435 W439 L440 L441 A496 F497 E500E433-V437 HydrophobicContact CG-CG2 4.47Å; E433-V437 WeakPolarHBondContact O-CG2 3.45Å; E433-V437 PolarHBondContact O-N 3.21Å; R434-V437 PolarHBondContact O-N 3.03Å; Y435-V437 VanDerWaalsContact C-N 3.33Å; V437-W439 VanDerWaalsContact C-N 3.32Å; V437-W439 PolarHBondContact O-N 2.75Å; V437-L440 PolarHBondContact O-N 2.94Å; V437-L441 HydrophobicContact CG1-CD1 4.05Å; V437-L441 HydrophobicContact CG1-CG 4.39Å; V437-L441 WeakPolarHBondContact O-CG 3.1Å; V437-L441 PolarHBondContact O-N 3.31Å; V437-A496 HydrophobicContact CG2-CB 3.72Å; V437-F497 HydrophobicContact CG1-CD2 4.2Å; V437-F497 HydrophobicContact CG2-CB 4.29Å; V437-E500 HydrophobicContact CG1-CB 4Å; V437-E500 HydrophobicContact CG1-CG 3.68Å
438N94.8Very high95.7Very high41 Ų4139.6 Ų39.622%0.21918%0.183CC..Hα-helixtrans-60.3-40.8174.2-75.4-0.5000112.3R434 Y435 A436 L441 L442R434-N438 PolarHBondContact O-N 3.26Å; R434-N438 PolarHBondContact O-OD1 3.04Å; Y435-N438 PolarHBondContact O-N 2.96Å; A436-N438 PolarHBondContact O-N 3.44Å; N438-L441 PolarHBondContact O-N 3.2Å; N438-L442 WeakPolarHBondContact O-CB 3.36Å; N438-L442 PolarHBondContact O-N 3.08Å
439W96.1Very high95.5Very high0 Ų045.2 Ų45.20%021%0.209CC..Hα-helixtrans-63.9-43.5173.7178.3-97.3000112.1A408 A410 I413 Y435 A436 V437 L442 T443 Y457 T482 T486 F489A408-W439 HydrophobicContact CB-CZ3 3.92Å; A410-W439 HydrophobicContact CB-CH2 3.97Å; A410-W439 HydrophobicContact CB-CZ2 3.42Å; A410-W439 VanDerWaalsContact CB-CZ2 3.42Å; I413-W439 HydrophobicContact CB-CD2 4.34Å; I413-W439 HydrophobicContact CB-CE3 4.17Å; I413-W439 HydrophobicContact CG1-CD2 4.22Å; I413-W439 HydrophobicContact CG1-CE3 3.56Å; I413-W439 HydrophobicContact CG1-CZ3 3.71Å; I413-W439 HydrophobicContact CG2-CB 3.9Å; I413-W439 HydrophobicContact CG2-CD2 4.05Å; I413-W439 HydrophobicContact CG2-CE3 4.13Å; I413-W439 HydrophobicContact CG2-CG 3.98Å; Y435-W439 PolarHBondContact O-N 3.33Å; A436-W439 WeakPolarHBondContact O-CB 3.33Å; A436-W439 PolarHBondContact O-N 2.91Å; V437-W439 VanDerWaalsContact C-N 3.32Å; V437-W439 PolarHBondContact O-N 2.75Å; W439-L442 HydrophobicContact CE3-CD2 4.49Å; W439-L442 PolarHBondContact O-N 3.28Å; W439-T443 HydrophobicContact CD2-CG2 4.05Å; W439-T443 HydrophobicContact CG-CG2 4.46Å; W439-T443 HydrophobicContact CH2-CG2 4.4Å; W439-T443 HydrophobicContact CZ2-CG2 3.75Å; W439-T443 WeakPolarHBondContact O-CB 3.37Å; W439-T443 WeakPolarHBondContact O-CG2 3.38Å; W439-T443 PolarHBondContact O-N 3.04Å; W439-T443 PolarHBondContact O-OG1 3.29Å; W439-Y457 AromaticContact CH2-CD2 3.64Å; W439-Y457 HydrophobicContact CH2-CD2 3.64Å; W439-Y457 HydrophobicContact CH2-CE2 4.25Å; W439-Y457 HydrophobicContact CH2-CG 4.41Å; W439-Y457 HydrophobicContact CZ2-CD2 4.13Å; W439-Y457 HydrophobicContact CZ2-CE2 4.29Å; W439-Y457 HydrophobicContact CZ3-CD2 4.3Å; W439-T482 HydrophobicContact CZ2-CG2 4.29Å; W439-T486 PolarHBondContact NE1-OG1 3.5Å; W439-F489 HydrophobicContact CB-CD2 4.36Å; W439-F489 HydrophobicContact CB-CE2 4.31Å; W439-F489 AromaticContact CD1-CD2 3.74Å; W439-F489 HydrophobicContact CG-CD2 4.29Å; W439-F489 HydrophobicContact CG-CE2 4.26Å
440L96.2Very high95.4Very high0 Ų043.4 Ų43.40%020%0.204CC..Hα-helixtrans-61.4-44.4175.8-69175.7000111.6A436 V437 T443 Y444 T486 F489 L490 F497A436-L440 WeakPolarHBondContact O-CG 3.4Å; A436-L440 PolarHBondContact O-N 3.11Å; V437-L440 PolarHBondContact O-N 2.94Å; L440-T443 PolarHBondContact O-N 2.96Å; L440-T443 PolarHBondContact O-OG1 3.1Å; L440-Y444 WeakPolarHBondContact O-CB 3.48Å; L440-Y444 PolarHBondContact O-N 2.66Å; L440-T486 HydrophobicContact CD2-CG2 3.89Å; L440-F489 HydrophobicContact CD1-CB 4.08Å; L440-F489 HydrophobicContact CD2-CB 3.85Å; L440-F489 HydrophobicContact CG-CB 4.02Å; L440-L490 HydrophobicContact CD1-CD2 4.22Å; L440-L490 HydrophobicContact CD2-CD2 3.91Å; L440-L490 HydrophobicContact CD2-CG 3.7Å; L440-F497 HydrophobicContact CB-CD1 4.15Å; L440-F497 HydrophobicContact CB-CD2 3.81Å; L440-F497 HydrophobicContact CB-CE1 4.08Å; L440-F497 HydrophobicContact CB-CE2 3.74Å; L440-F497 HydrophobicContact CB-CG 4.01Å; L440-F497 HydrophobicContact CB-CZ 3.88Å; L440-F497 HydrophobicContact CD1-CB 3.93Å; L440-F497 HydrophobicContact CD1-CD1 3.98Å; L440-F497 HydrophobicContact CD1-CD2 4.44Å; L440-F497 HydrophobicContact CD1-CG 3.87Å
441L94.5Very high95.3Very high48 Ų4842.3 Ų42.325%0.25119%0.192SC..Hα-helixtrans-59.2-47.9175.1-75.4165.9000111.7V437 N438 Q445 F497 E500 L501V437-L441 HydrophobicContact CG1-CD1 4.05Å; V437-L441 HydrophobicContact CG1-CG 4.39Å; V437-L441 WeakPolarHBondContact O-CG 3.1Å; V437-L441 PolarHBondContact O-N 3.31Å; N438-L441 PolarHBondContact O-N 3.2Å; L441-Q445 VanDerWaalsContact O-CB 3.29Å; L441-Q445 WeakPolarHBondContact O-CB 3.34Å; L441-Q445 PolarHBondContact O-N 3.5Å; L441-F497 HydrophobicContact CB-CE2 4.47Å; L441-F497 HydrophobicContact CD2-CD2 4.33Å; L441-F497 HydrophobicContact CD2-CE2 3.74Å; L441-F497 HydrophobicContact CG-CD2 4.22Å; L441-F497 HydrophobicContact CG-CE2 3.81Å; L441-E500 HydrophobicContact CD1-CB 4.36Å; L441-L501 HydrophobicContact CD2-CD2 3.83Å; L441-L501 HydrophobicContact CD2-CG 4.39Å
442L94.6Very high95.3Very high13 Ų1346.4 Ų46.47%0.06821%0.209CC..Hα-helixtrans-60.6-49.6179.6177.361.4000111.8K390 N438 W439 S446 Y457 T459K390-L442 HydrophobicContact CB-CD1 4.31Å; K390-L442 HydrophobicContact CD-CD1 4.05Å; N438-L442 WeakPolarHBondContact O-CB 3.36Å; N438-L442 PolarHBondContact O-N 3.08Å; W439-L442 HydrophobicContact CE3-CD2 4.49Å; W439-L442 PolarHBondContact O-N 3.28Å; L442-S446 WeakPolarHBondContact O-CB 3.38Å; L442-S446 PolarHBondContact O-N 3.04Å; L442-S446 VanDerWaalsContact O-N 3.1Å; L442-Y457 HydrophobicContact CD2-CG 4.44Å; L442-Y457 HydrophobicContact CG-CD1 4.27Å; L442-Y457 HydrophobicContact CG-CG 4.46Å; L442-T459 HydrophobicContact CD2-CG2 4.16Å
443T96.1Very high95.4Very high0 Ų046.9 Ų46.90%021%0.211CC..Hα-helixtrans-70.8-37.7-177.753.10000112.1W439 L440 Y447 Y457 T482W439-T443 HydrophobicContact CD2-CG2 4.05Å; W439-T443 HydrophobicContact CG-CG2 4.46Å; W439-T443 HydrophobicContact CH2-CG2 4.4Å; W439-T443 HydrophobicContact CZ2-CG2 3.75Å; W439-T443 WeakPolarHBondContact O-CB 3.37Å; W439-T443 WeakPolarHBondContact O-CG2 3.38Å; W439-T443 PolarHBondContact O-N 3.04Å; W439-T443 PolarHBondContact O-OG1 3.29Å; L440-T443 PolarHBondContact O-N 2.96Å; L440-T443 PolarHBondContact O-OG1 3.1Å; T443-Y447 WeakPolarHBondContact O-CB 3.21Å; T443-Y447 PolarHBondContact O-N 3.09Å; T443-Y457 HydrophobicContact CG2-CD1 4.27Å; T443-Y457 HydrophobicContact CG2-CD2 4.16Å; T443-Y457 HydrophobicContact CG2-CE1 3.88Å; T443-Y457 HydrophobicContact CG2-CE2 3.8Å; T443-Y457 HydrophobicContact CG2-CG 4.4Å; T443-T482 HydrophobicContact CG2-CG2 4.46Å
444Y95.4Very high95.4Very high29 Ų2944 Ų4411%0.11420%0.198CC..Hα-helixtrans-65.4-45.9175.3-175.8-115.8000111.9P64 L65 W68 L440 S446 Y447 M448 F497 L501P64-Y444 WeakPolarHBondContact CG-OH 3.42Å; L65-Y444 HydrophobicContact CD2-CE2 4.37Å; W68-Y444 HydrophobicContact CB-CE2 4.41Å; W68-Y444 AromaticContact CD2-CD2 3.65Å; W68-Y444 HydrophobicContact CD2-CD2 3.65Å; W68-Y444 HydrophobicContact CD2-CE2 4.26Å; W68-Y444 AromaticContact CE3-CD2 3.41Å; W68-Y444 HydrophobicContact CE3-CD2 3.41Å; W68-Y444 VanDerWaalsContact CE3-CD2 3.41Å; W68-Y444 HydrophobicContact CE3-CE2 4.15Å; W68-Y444 HydrophobicContact CE3-CG 4.19Å; W68-Y444 HydrophobicContact CG-CD2 4.21Å; W68-Y444 HydrophobicContact CG-CE2 4.4Å; W68-Y444 HydrophobicContact CH2-CD2 4.2Å; W68-Y444 HydrophobicContact CH2-CG 4.4Å; W68-Y444 HydrophobicContact CZ2-CD2 4.39Å; W68-Y444 AromaticContact CZ3-CD2 3.72Å; W68-Y444 HydrophobicContact CZ3-CD2 3.72Å; W68-Y444 HydrophobicContact CZ3-CG 4.04Å; L440-Y444 WeakPolarHBondContact O-CB 3.48Å; L440-Y444 PolarHBondContact O-N 2.66Å; Y444-S446 PolarHBondContact O-N 3.04Å; Y444-Y447 PolarHBondContact O-N 2.75Å; Y444-M448 HydrophobicContact CD1-CG 4.25Å; Y444-M448 HydrophobicContact CD2-CG 4.21Å; Y444-M448 HydrophobicContact CE1-CG 3.86Å; Y444-M448 HydrophobicContact CE2-CG 3.82Å; Y444-M448 HydrophobicContact CE2-SD 3.88Å; Y444-M448 HydrophobicContact CG-CG 4.41Å; Y444-M448 WeakPolarHBondContact O-CB 3.47Å; Y444-M448 WeakPolarHBondContact O-CG 3.48Å; Y444-M448 PolarHBondContact O-N 3.13Å; Y444-F497 HydrophobicContact CD1-CZ 4.31Å; Y444-F497 HydrophobicContact CG-CZ 4.13Å; Y444-L501 HydrophobicContact CD1-CD2 4.08Å; Y444-L501 HydrophobicContact CE1-CD1 4.49Å; Y444-L501 HydrophobicContact CE1-CD2 4.18Å
445Q93.6Very high95.5Very high99 Ų9936.2 Ų36.246%0.46317%0.168SC..Hα-helixtrans-59.9-47.2177.2-177.2-178.52.200111.1L441 Y447 M448 Q449L441-Q445 VanDerWaalsContact O-CB 3.29Å; L441-Q445 WeakPolarHBondContact O-CB 3.34Å; L441-Q445 PolarHBondContact O-N 3.5Å; Q445-Y447 VanDerWaalsContact C-N 3.31Å; Q445-Y447 PolarHBondContact O-N 3.48Å; Q445-M448 PolarHBondContact O-N 3.46Å; Q445-Q449 PolarHBondContact O-N 3.3Å; Q445-Q449 VanDerWaalsContact O-N 3.15Å
446S95.4Very high95.5Very high2 Ų235.5 Ų35.51%0.01417%0.166CC..Hα-helixtrans-55.7-49.31741620000111.3L442 Y444 M448 Q449 S450 F454 Y457 P466L442-S446 WeakPolarHBondContact O-CB 3.38Å; L442-S446 PolarHBondContact O-N 3.04Å; L442-S446 VanDerWaalsContact O-N 3.1Å; Y444-S446 PolarHBondContact O-N 3.04Å; S446-M448 PolarHBondContact O-N 3.33Å; S446-Q449 WeakPolarHBondContact O-CB 3.4Å; S446-Q449 PolarHBondContact O-N 2.82Å; S446-Q449 VanDerWaalsContact O-N 3.14Å; S446-S450 PolarHBondContact O-N 2.66Å; S446-S450 PolarHBondContact O-OG 3.08Å; S446-S450 VanDerWaalsContact O-OG 3.06Å; S446-F454 WeakPolarHBondContact OG-CD2 3.23Å; S446-F454 WeakPolarHBondContact OG-CE2 3.49Å; S446-Y457 WeakPolarHBondContact OG-CE1 3.5Å; S446-P466 VanDerWaalsContact CB-O 3.24Å; S446-P466 WeakPolarHBondContact CB-O 3.36Å; S446-P466 WeakPolarHBondContact OG-CB 3.47Å; S446-P466 PolarHBondContact OG-O 3.44Å
447Y95.8Very high95.5Very high10 Ų1035.5 Ų35.54%0.03917%0.166CC..Hα-helixtrans-64.5-38.8-177.6173.6-99.2000112.4W68 E71 T443 Y444 Q445 Q449 S450 R451 M453W68-Y447 AromaticContact CD1-CD1 3.47Å; W68-Y447 VanDerWaalsContact CD1-CD1 3.47Å; W68-Y447 AromaticContact CD1-CE1 3.23Å; W68-Y447 AromaticContact CD1-CG 3.99Å; W68-Y447 AromaticContact CD1-CZ 3.59Å; W68-Y447 HydrophobicContact CG-CD1 4.19Å; W68-Y447 HydrophobicContact CG-CE1 4.03Å; W68-Y447 AromaticContact NE1-CD1 3.43Å; W68-Y447 AromaticContact NE1-CD2 3.91Å; W68-Y447 AromaticContact NE1-CE1 3.67Å; W68-Y447 AromaticContact NE1-CG 3.52Å; W68-Y447 AromaticContact NE1-CZ 3.98Å; E71-Y447 WeakPolarHBondContact CB-OH 3.29Å; E71-Y447 PolarHBondContact OE1-OH 3.46Å; E71-Y447 PolarHBondContact OE2-OH 2.72Å; T443-Y447 WeakPolarHBondContact O-CB 3.21Å; T443-Y447 PolarHBondContact O-N 3.09Å; Y444-Y447 PolarHBondContact O-N 2.75Å; Q445-Y447 VanDerWaalsContact C-N 3.31Å; Q445-Y447 PolarHBondContact O-N 3.48Å; Y447-Q449 PolarHBondContact O-N 3.3Å; Y447-S450 PolarHBondContact O-N 3.22Å; Y447-R451 WeakPolarHBondContact O-CA 3.46Å; Y447-R451 PolarHBondContact O-N 2.89Å; Y447-R451 PolarHBondContact OH-NH2 2.89Å; Y447-M453 HydrophobicContact CD2-CG 4.39Å; Y447-M453 HydrophobicContact CD2-SD 3.9Å; Y447-M453 HydrophobicContact CG-SD 4.22Å
448M94.3Very high95.5Very high100 Ų10036.4 Ų36.449%0.49317%0.171SC..Hα-helixtrans-64-29.9174.5-72-58.4-66.200112.6Y444 Q445 S446Y444-M448 HydrophobicContact CD1-CG 4.25Å; Y444-M448 HydrophobicContact CD2-CG 4.21Å; Y444-M448 HydrophobicContact CE1-CG 3.86Å; Y444-M448 HydrophobicContact CE2-CG 3.82Å; Y444-M448 HydrophobicContact CE2-SD 3.88Å; Y444-M448 HydrophobicContact CG-CG 4.41Å; Y444-M448 WeakPolarHBondContact O-CB 3.47Å; Y444-M448 WeakPolarHBondContact O-CG 3.48Å; Y444-M448 PolarHBondContact O-N 3.13Å; Q445-M448 PolarHBondContact O-N 3.46Å; S446-M448 PolarHBondContact O-N 3.33Å
449Q94.2Very high95.4Very high117 Ų11734.5 Ų34.555%0.54716%0.16SC..Hα-helixtrans-81.8-41.4177.7-176.1-178.4-0.500113.1Q445 S446 Y447 D464Q445-Q449 PolarHBondContact O-N 3.3Å; Q445-Q449 VanDerWaalsContact O-N 3.15Å; S446-Q449 WeakPolarHBondContact O-CB 3.4Å; S446-Q449 PolarHBondContact O-N 2.82Å; S446-Q449 VanDerWaalsContact O-N 3.14Å; Y447-Q449 PolarHBondContact O-N 3.3Å; Q449-D464 PolarHBondContact OE1-O 2.88Å
450S94.7Very high95.2Very high27 Ų2735 Ų3519%0.18916%0.164CC..Hα-helixtrans-107.7-21.2-170.272.60000114.6S446 Y447 F452 F454S446-S450 PolarHBondContact O-N 2.66Å; S446-S450 PolarHBondContact O-OG 3.08Å; S446-S450 VanDerWaalsContact O-OG 3.06Å; Y447-S450 PolarHBondContact O-N 3.22Å; S450-F452 WeakPolarHBondContact O-CD2 3.24Å; S450-F452 WeakPolarHBondContact O-CE2 3.49Å; S450-F452 PolarHBondContact O-N 2.75Å; S450-F452 PolarHBondContact OG-N 2.8Å; S450-F452 PolarHBondContact OG-O 3.2Å; S450-F454 VanDerWaalsContact OG-CE2 3.27Å; S450-F454 WeakPolarHBondContact OG-CE2 3.34Å
451R94.3Very high94.7Very high116 Ų11641.1 Ų41.144%0.43819%0.194SC..SBendtrans60.618.8-166.2-54.7-57.3-58.3-174.6-5.9114.6E71 Y447E71-R451 IonicContact OE1-CZ 2.72Å; E71-R451 IonicContact OE1-NH2 3.21Å; E71-R451 PolarHBondContact OE1-NH2 3.05Å; E71-R451 IonicContact OE2-CZ 3.58Å; E71-R451 IonicContact OE2-NH2 3.7Å; E71-R451 PolarHBondContact OE2-NH2 2.99Å; Y447-R451 WeakPolarHBondContact O-CA 3.46Å; Y447-R451 PolarHBondContact O-N 2.89Å; Y447-R451 PolarHBondContact OH-NH2 2.89Å
452F95.1Very high94.5Very high113 Ų11348.4 Ų48.450%0.49622%0.224SC..  trans-124.3147.5177.3-62.3-69.8000112.2S450 F454 T477S450-F452 WeakPolarHBondContact O-CD2 3.24Å; S450-F452 WeakPolarHBondContact O-CE2 3.49Å; S450-F452 PolarHBondContact O-N 2.75Å; S450-F452 PolarHBondContact OG-N 2.8Å; S450-F452 PolarHBondContact OG-O 3.2Å; F452-F454 HydrophobicContact CB-CE1 4.33Å; F452-F454 HydrophobicContact CB-CE2 4.28Å; F452-F454 HydrophobicContact CB-CZ 3.99Å; F452-T477 HydrophobicContact CB-CG2 3.85Å; F452-T477 HydrophobicContact CD1-CG2 4.21Å; F452-T477 HydrophobicContact CG-CG2 3.95Å
453M97.3Very high94.1Very high10 Ų1049 Ų495%0.04923%0.229CC..  trans-93.9134.8163.2-59-60.6-66.600108.8W68 L72 Y447 T477 G478 T482 N483 T486W68-M453 HydrophobicContact CZ2-CE 4.1Å; W68-M453 HydrophobicContact CZ2-SD 4.06Å; L72-M453 HydrophobicContact CD2-CE 3.97Å; L72-M453 HydrophobicContact CD2-CG 3.68Å; L72-M453 HydrophobicContact CD2-SD 3.92Å; Y447-M453 HydrophobicContact CD2-CG 4.39Å; Y447-M453 HydrophobicContact CD2-SD 3.9Å; Y447-M453 HydrophobicContact CG-SD 4.22Å; M453-T477 WeakPolarHBondContact O-CA 3.24Å; M453-G478 PolarHBondContact O-N 3.2Å; M453-T482 HydrophobicContact CE-CG2 3.54Å; M453-N483 WeakPolarHBondContact CB-OD1 3.18Å; M453-N483 WeakPolarHBondContact CG-OD1 3.49Å; M453-T486 HydrophobicContact CE-CG2 4.28Å
454F97.2Very high93.6Very high10 Ų1054.6 Ų54.64%0.04426%0.259CS..BIsolated β-bridgetrans-108.5159.2-173.2-65.3-79.4000112S446 S450 F452 K456 Y457 P466 Y467 V475 Q476 T477 T482S446-F454 WeakPolarHBondContact OG-CD2 3.23Å; S446-F454 WeakPolarHBondContact OG-CE2 3.49Å; S450-F454 VanDerWaalsContact OG-CE2 3.27Å; S450-F454 WeakPolarHBondContact OG-CE2 3.34Å; F452-F454 HydrophobicContact CB-CE1 4.33Å; F452-F454 HydrophobicContact CB-CE2 4.28Å; F452-F454 HydrophobicContact CB-CZ 3.99Å; F454-K456 VanDerWaalsContact C-N 3.34Å; F454-Y457 HydrophobicContact CB-CE1 4.48Å; F454-Y457 HydrophobicContact CB-CE2 4.2Å; F454-Y457 HydrophobicContact CD2-CE1 4.23Å; F454-Y457 PolarHBondContact N-OH 3.38Å; F454-Y457 WeakPolarHBondContact O-CE2 3.32Å; F454-P466 HydrophobicContact CE2-CB 4.12Å; F454-P466 HydrophobicContact CE2-CG 4.46Å; F454-Y467 HydrophobicContact CD1-CD1 4.13Å; F454-Y467 HydrophobicContact CD1-CG 4.25Å; F454-Y467 HydrophobicContact CD2-CD1 4.48Å; F454-Y467 AromaticContact CE1-CD1 3.59Å; F454-Y467 HydrophobicContact CE1-CD1 3.59Å; F454-Y467 HydrophobicContact CE1-CE1 4.33Å; F454-Y467 HydrophobicContact CE1-CG 4.16Å; F454-Y467 AromaticContact CE2-CD1 3.98Å; F454-Y467 HydrophobicContact CE2-CD1 3.98Å; F454-Y467 AromaticContact CZ-CD1 3.51Å; F454-Y467 HydrophobicContact CZ-CD1 3.51Å; F454-Y467 HydrophobicContact CZ-CE1 4.28Å; F454-Y467 HydrophobicContact CZ-CG 4.35Å; F454-V475 HydrophobicContact CB-CG2 4.3Å; F454-V475 HydrophobicContact CD1-CG1 4.23Å; F454-V475 HydrophobicContact CD1-CG2 4.04Å; F454-V475 HydrophobicContact CE1-CG1 4.41Å; F454-Q476 WeakPolarHBondContact CA-O 3.45Å; F454-T477 HydrophobicContact CD1-CG2 3.82Å; F454-T477 HydrophobicContact CE1-CG2 3.63Å; F454-T482 WeakPolarHBondContact O-CB 3.07Å; F454-T482 PolarHBondContact O-OG1 2.9Å
455E96.8Very high93.4Very high4 Ų457.1 Ų57.12%0.01927%0.273CS..SBendtrans-56.6-44.6171.1-178.9-174.5-15700112.5W409 Y473 V475 Q476 F479 W481W409-E455 HydrophobicContact CE3-CG 4.37Å; W409-E455 HydrophobicContact CH2-CG 4.2Å; W409-E455 HydrophobicContact CZ3-CG 3.6Å; E455-Y473 PolarHBondContact OE1-OH 3.18Å; E455-V475 HydrophobicContact CB-CG2 4.43Å; E455-Q476 HydrophobicContact CB-CB 4.39Å; E455-Q476 PolarHBondContact N-O 3.1Å; E455-F479 HydrophobicContact CB-CD2 3.56Å; E455-F479 HydrophobicContact CB-CE2 3.72Å; E455-F479 HydrophobicContact CB-CG 4.05Å; E455-F479 HydrophobicContact CB-CZ 4.35Å; E455-F479 HydrophobicContact CG-CD2 3.97Å; E455-F479 HydrophobicContact CG-CE1 4.41Å; E455-F479 HydrophobicContact CG-CE2 3.6Å; E455-F479 HydrophobicContact CG-CG 4.5Å; E455-F479 HydrophobicContact CG-CZ 3.82Å; E455-W481 HydrophobicContact CG-CZ2 3.73Å; E455-W481 PolarHBondContact O-NE1 3.01Å
456K97Very high93.2Very high0 Ų053.1 Ų53.10%026%0.255CS..SBendtrans-148.5154.4-173.664.2-136.6174.4-151.80111.2W409 F454 G468 V475W409-K456 HydrophobicContact CD2-CB 3.82Å; W409-K456 HydrophobicContact CE3-CB 3.97Å; W409-K456 HydrophobicContact CG-CB 4.45Å; W409-K456 HydrophobicContact CH2-CB 4.19Å; W409-K456 HydrophobicContact CH2-CD 3.35Å; W409-K456 HydrophobicContact CH2-CG 4.39Å; W409-K456 HydrophobicContact CZ2-CB 4.01Å; W409-K456 HydrophobicContact CZ2-CD 3.42Å; W409-K456 VanDerWaalsContact CZ2-CD 3.42Å; W409-K456 HydrophobicContact CZ2-CG 4.26Å; W409-K456 HydrophobicContact CZ3-CB 4.17Å; W409-K456 HydrophobicContact CZ3-CD 4Å; F454-K456 VanDerWaalsContact C-N 3.34Å; K456-G468 PolarHBondContact O-N 3.14Å; K456-V475 HydrophobicContact CG-CG2 4.33Å
457Y97.2Very high93.1Very high0 Ų057.1 Ų57.10%027%0.27CS..EExtended strand (participates in β ladder)trans-123.6143.9-173.1-69.8-97.7000112.1N407 A408 W439 L442 T443 S446 F454 P466 T482N407-Y457 CarbonylContact C-O 3.45Å; N407-Y457 WeakPolarHBondContact CA-O 3.4Å; A408-Y457 PolarHBondContact N-O 3.19Å; A408-Y457 PolarHBondContact O-N 2.92Å; W439-Y457 AromaticContact CH2-CD2 3.64Å; W439-Y457 HydrophobicContact CH2-CD2 3.64Å; W439-Y457 HydrophobicContact CH2-CE2 4.25Å; W439-Y457 HydrophobicContact CH2-CG 4.41Å; W439-Y457 HydrophobicContact CZ2-CD2 4.13Å; W439-Y457 HydrophobicContact CZ2-CE2 4.29Å; W439-Y457 HydrophobicContact CZ3-CD2 4.3Å; L442-Y457 HydrophobicContact CD2-CG 4.44Å; L442-Y457 HydrophobicContact CG-CD1 4.27Å; L442-Y457 HydrophobicContact CG-CG 4.46Å; T443-Y457 HydrophobicContact CG2-CD1 4.27Å; T443-Y457 HydrophobicContact CG2-CD2 4.16Å; T443-Y457 HydrophobicContact CG2-CE1 3.88Å; T443-Y457 HydrophobicContact CG2-CE2 3.8Å; T443-Y457 HydrophobicContact CG2-CG 4.4Å; S446-Y457 WeakPolarHBondContact OG-CE1 3.5Å; F454-Y457 HydrophobicContact CB-CE1 4.48Å; F454-Y457 HydrophobicContact CB-CE2 4.2Å; F454-Y457 HydrophobicContact CD2-CE1 4.23Å; F454-Y457 PolarHBondContact N-OH 3.38Å; F454-Y457 WeakPolarHBondContact O-CE2 3.32Å; Y457-P466 VanDerWaalsContact CD1-O 3.22Å; Y457-P466 WeakPolarHBondContact CD1-O 3.3Å; Y457-T482 HydrophobicContact CE2-CG2 3.61Å
458N94.7Very high93.1Very high26 Ų2656.7 Ų56.714%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-82122.8172.5-174.2-22.1000109.4E406 S460 S463 Y467E406-N458 CarbonylContact O-C 3.49Å; E406-N458 WeakPolarHBondContact O-CA 3.04Å; N458-S460 WeakPolarHBondContact OD1-CB 3.38Å; N458-S460 PolarHBondContact OD1-N 3.41Å; N458-S463 PolarHBondContact ND2-OG 2.84Å; N458-Y467 WeakPolarHBondContact CB-O 3.21Å
459T93.3Very high93.1Very high0 Ų053.4 Ų53.40%026%0.261CS..  trans-97.54-178.468.90000113.3A389 K390 E406 A408 L442 M461A389-T459 CarbonylContact C-O 3.55Å; A389-T459 WeakPolarHBondContact CA-O 3.4Å; A389-T459 WeakPolarHBondContact CB-O 3.43Å; A389-T459 WeakPolarHBondContact CB-OG1 3.41Å; K390-T459 PolarHBondContact N-O 3.04Å; E406-T459 PolarHBondContact O-N 2.98Å; E406-T459 PolarHBondContact O-OG1 3.04Å; E406-T459 VanDerWaalsContact O-OG1 3.09Å; A408-T459 HydrophobicContact CB-CG2 3.24Å; L442-T459 HydrophobicContact CD2-CG2 4.16Å; T459-M461 PolarHBondContact O-N 3.23Å
460S91.5Very high93Very high12 Ų1249.6 Ų49.68%0.08425%0.253CS..BIsolated β-bridgetrans-59.6129.1178.9-157.30000111.3K390 E406 N458 K462 S463K390-S460 VanDerWaalsContact CE-O 3.22Å; K390-S460 WeakPolarHBondContact CE-O 3.08Å; E406-S460 WeakPolarHBondContact OE2-CB 3.42Å; E406-S460 PolarHBondContact OE2-OG 3.44Å; N458-S460 WeakPolarHBondContact OD1-CB 3.38Å; N458-S460 PolarHBondContact OD1-N 3.41Å; S460-K462 PolarHBondContact O-N 2.97Å; S460-K462 PolarHBondContact OG-N 3.41Å; S460-S463 PolarHBondContact O-N 3.4Å
461M86.8Confident92.9Very high127 Ų12749.8 Ų49.863%0.62626%0.259SS*.THydrogen-bonded Turntrans-66-14.8169.5-64.3-66.5-79.300112.3K390 T459K390-M461 HydrophobicContact CB-SD 4.37Å; K390-M461 HydrophobicContact CG-SD 3.58Å; K390-M461 VanDerWaalsContact CG-SD 3.58Å; T459-M461 PolarHBondContact O-N 3.23Å
462K88.4Confident92.6Very high202 Ų20247 Ų4788%0.87825%0.251SS*.THydrogen-bonded Turntrans-101.9-0.4-176.2-60.4-178.9-179179.60113.8S460S460-K462 PolarHBondContact O-N 2.97Å; S460-K462 PolarHBondContact OG-N 3.41Å
463S87.5Confident92.2Very high25 Ų2543.3 Ų43.318%0.17523%0.234CC..  trans-121.5133.7-177.2-169.60000110.6K390 N458 S460 M465K390-S463 PolarHBondContact NZ-O 2.9Å; N458-S463 PolarHBondContact ND2-OG 2.84Å; S460-S463 PolarHBondContact O-N 3.4Å; S463-M465 VanDerWaalsContact C-N 3.32Å; S463-M465 WeakPolarHBondContact OG-CB 3.42Å; S463-M465 WeakPolarHBondContact OG-CG 3.28Å; S463-M465 PolarHBondContact OG-N 3.22Å
464D85.7Confident92Very high117 Ų11750.8 Ų50.863%0.62627%0.269SS*.  trans-97.416.1169.5-61.1-35.8000111.7K390 Q449K390-D464 IonicContact NZ-OD1 3.93Å; Q449-D464 PolarHBondContact OE1-O 2.88Å
465M90.5Very high91.7Very high83 Ų8351.8 Ų51.841%0.40928%0.276SS..  trans-65.1126.9173.2-73.8-64.1-68.600109.5S463 Y467S463-M465 VanDerWaalsContact C-N 3.32Å; S463-M465 WeakPolarHBondContact OG-CB 3.42Å; S463-M465 WeakPolarHBondContact OG-CG 3.28Å; S463-M465 PolarHBondContact OG-N 3.22Å; M465-Y467 HydrophobicContact CE-CD2 4.12Å; M465-Y467 HydrophobicContact CE-CE1 4.1Å; M465-Y467 HydrophobicContact CE-CE2 3.39Å; M465-Y467 WeakPolarHBondContact CE-OH 3.09Å; M465-Y467 PolarHBondContact O-N 3.06Å
466P89.3Confident91.6Very high15 Ų1552.9 Ų52.910%0.09728%0.281CS..SBendtrans-71.7-12.3-177.425.4-29.9000112.7S446 F454 Y457S446-P466 VanDerWaalsContact CB-O 3.24Å; S446-P466 WeakPolarHBondContact CB-O 3.36Å; S446-P466 WeakPolarHBondContact OG-CB 3.47Å; S446-P466 PolarHBondContact OG-O 3.44Å; F454-P466 HydrophobicContact CE2-CB 4.12Å; F454-P466 HydrophobicContact CE2-CG 4.46Å; Y457-P466 VanDerWaalsContact CD1-O 3.22Å; Y457-P466 WeakPolarHBondContact CD1-O 3.3Å
467Y94.7Very high91.5Very high85 Ų8555.3 Ų55.333%0.33330%0.296SS..SBendtrans-139.3159.5-174.354.1-105.7000113F454 N458 M465 V475F454-Y467 HydrophobicContact CD1-CD1 4.13Å; F454-Y467 HydrophobicContact CD1-CG 4.25Å; F454-Y467 HydrophobicContact CD2-CD1 4.48Å; F454-Y467 AromaticContact CE1-CD1 3.59Å; F454-Y467 HydrophobicContact CE1-CD1 3.59Å; F454-Y467 HydrophobicContact CE1-CE1 4.33Å; F454-Y467 HydrophobicContact CE1-CG 4.16Å; F454-Y467 AromaticContact CE2-CD1 3.98Å; F454-Y467 HydrophobicContact CE2-CD1 3.98Å; F454-Y467 AromaticContact CZ-CD1 3.51Å; F454-Y467 HydrophobicContact CZ-CD1 3.51Å; F454-Y467 HydrophobicContact CZ-CE1 4.28Å; F454-Y467 HydrophobicContact CZ-CG 4.35Å; N458-Y467 WeakPolarHBondContact CB-O 3.21Å; M465-Y467 HydrophobicContact CE-CD2 4.12Å; M465-Y467 HydrophobicContact CE-CE1 4.1Å; M465-Y467 HydrophobicContact CE-CE2 3.39Å; M465-Y467 WeakPolarHBondContact CE-OH 3.09Å; M465-Y467 PolarHBondContact O-N 3.06Å; Y467-V475 HydrophobicContact CD1-CG1 4.22Å; Y467-V475 HydrophobicContact CD2-CB 4.17Å; Y467-V475 HydrophobicContact CD2-CG1 3.57Å; Y467-V475 HydrophobicContact CE1-CG1 4.46Å; Y467-V475 HydrophobicContact CE2-CG1 3.82Å; Y467-V475 HydrophobicContact CG-CG1 3.78Å; Y467-V475 HydrophobicContact CG-CG2 4.48Å
468G94.9Very high91.3Very high1 Ų155.8 Ų55.81%0.0130%0.301CS..  trans-82.8168.8171.300000112.4N407 K456N407-G468 WeakPolarHBondContact OD1-CA 3.44Å; K456-G468 PolarHBondContact O-N 3.14Å
469G94.3Very high91.4Very high32 Ų3254.6 Ų54.633%0.3330%0.295SS..  trans-146.4-161.9-175.500000113.8N407N407-G469 PolarHBondContact ND2-O 3.15Å; N407-G469 PolarHBondContact OD1-N 3.44Å
470G93.1Very high91.5Very high37 Ų3754.6 Ų54.638%0.38130%0.295SS..  trans85176.1-178.500000113.7G400G400-G470 VanDerWaalsContact O-CA 3.3Å; G400-G470 WeakPolarHBondContact O-CA 3.32Å
471G91.7Very high91.8Very high30 Ų3054.3 Ų54.331%0.30929%0.292SS..SBendtrans80-159.5-175.200000114G400G400-G471 PolarHBondContact O-N 3.4Å; G400-G471 VanDerWaalsContact O-N 3.07Å
472E87.1Confident92.4Very high58 Ų5848.3 Ų48.327%0.27126%0.262SS..SBendtrans-91.7-0.3-170.270.8-173-168.200114.6R224 S227R224-E472 IonicContact CZ-OE1 2.9Å; R224-E472 IonicContact CZ-OE2 3.03Å; R224-E472 IonicContact NH1-OE1 3.63Å; R224-E472 PolarHBondContact NH1-OE1 3.24Å; R224-E472 VanDerWaalsContact NH1-OE1 3.08Å; R224-E472 IonicContact NH1-OE2 3.15Å; R224-E472 IonicContact NH2-OE1 2.69Å; R224-E472 IonicContact NH2-OE2 2.98Å; R224-E472 PolarHBondContact NH2-OE2 3.2Å; S227-E472 PolarHBondContact OG-OE1 3.49Å
473Y88.2Confident92.8Very high35 Ų3538.7 Ų38.714%0.13722%0.22CC..SBendtrans-150.9160.3-179.160.7-87000113.5R109 F110 Q402 E455 Q476R109-Y473 VanDerWaalsContact NH1-CB 3.27Å; F110-Y473 HydrophobicContact CE2-CE2 4.23Å; F110-Y473 AromaticContact CZ-CE2 3.82Å; F110-Y473 HydrophobicContact CZ-CE2 3.82Å; F110-Y473 AromaticContact CZ-CZ 3.76Å; Q402-Y473 PolarHBondContact NE2-OH 2.77Å; Q402-Y473 VanDerWaalsContact NE2-OH 3.07Å; Q402-Y473 PolarHBondContact OE1-OH 2.83Å; E455-Y473 PolarHBondContact OE1-OH 3.18Å; Y473-Q476 HydrophobicContact CD2-CG 4.17Å; Y473-Q476 HydrophobicContact CE2-CG 3.99Å
474E91.6Very high93.3Very high168 Ų16837.5 Ų37.579%0.78521%0.212SC*.PPolyproline II helixtrans-65.9151.2175.2-61.3-172.3155.200111.8Q476E474-Q476 PolarHBondContact O-NE2 3.13Å
475V92.5Very high93.9Very high30 Ų3031.9 Ų31.918%0.18218%0.182CC..PPolyproline II helixtrans-56142.6178.968.90000112.4F454 E455 K456 Y467F454-V475 HydrophobicContact CB-CG2 4.3Å; F454-V475 HydrophobicContact CD1-CG1 4.23Å; F454-V475 HydrophobicContact CD1-CG2 4.04Å; F454-V475 HydrophobicContact CE1-CG1 4.41Å; E455-V475 HydrophobicContact CB-CG2 4.43Å; K456-V475 HydrophobicContact CG-CG2 4.33Å; Y467-V475 HydrophobicContact CD1-CG1 4.22Å; Y467-V475 HydrophobicContact CD2-CB 4.17Å; Y467-V475 HydrophobicContact CD2-CG1 3.57Å; Y467-V475 HydrophobicContact CE1-CG1 4.46Å; Y467-V475 HydrophobicContact CE2-CG1 3.82Å; Y467-V475 HydrophobicContact CG-CG1 3.78Å; Y467-V475 HydrophobicContact CG-CG2 4.48Å
476Q94.2Very high94.3Very high28 Ų2828 Ų2813%0.13116%0.163CC..PPolyproline II helixtrans-101.6151.3179.5-58-59.5-61.100112.3R109 F110 F454 E455 Y473 E474 F479R109-Q476 HydrophobicContact CG-CG 4.13Å; F110-Q476 HydrophobicContact CD2-CB 4.4Å; F110-Q476 HydrophobicContact CD2-CG 4.09Å; F110-Q476 HydrophobicContact CE2-CB 4.14Å; F110-Q476 HydrophobicContact CE2-CG 3.59Å; F110-Q476 HydrophobicContact CZ-CG 4.38Å; F454-Q476 WeakPolarHBondContact CA-O 3.45Å; E455-Q476 HydrophobicContact CB-CB 4.39Å; E455-Q476 PolarHBondContact N-O 3.1Å; Y473-Q476 HydrophobicContact CD2-CG 4.17Å; Y473-Q476 HydrophobicContact CE2-CG 3.99Å; E474-Q476 PolarHBondContact O-NE2 3.13Å; Q476-F479 HydrophobicContact CB-CD2 4.21Å; Q476-F479 HydrophobicContact CB-CE2 4.23Å
477T94.6Very high94.6Very high50 Ų5027.2 Ų27.231%0.30716%0.158SC..BIsolated β-bridgetrans-107.1156.2174.958.50000111.3G107 G108 F452 M453 F454G107-T477 CarbonylContact C-O 3.51Å; G107-T477 VanDerWaalsContact C-O 3.31Å; G107-T477 WeakPolarHBondContact CA-O 3.46Å; G108-T477 PolarHBondContact N-O 2.87Å; G108-T477 VanDerWaalsContact N-O 3.11Å; F452-T477 HydrophobicContact CB-CG2 3.85Å; F452-T477 HydrophobicContact CD1-CG2 4.21Å; F452-T477 HydrophobicContact CG-CG2 3.95Å; M453-T477 WeakPolarHBondContact O-CA 3.24Å; F454-T477 HydrophobicContact CD1-CG2 3.82Å; F454-T477 HydrophobicContact CE1-CG2 3.63Å
478G92.5Very high94.6Very high11 Ų1124.4 Ų24.411%0.11315%0.149CC..  trans151.5-71.6-177.900000108.7M453 N483M453-G478 PolarHBondContact O-N 3.2Å; G478-N483 PolarHBondContact O-ND2 2.94Å; G478-N483 PolarHBondContact O-OD1 3.05Å
479F96.2Very high94.7Very high1 Ų124.6 Ų24.60%0.00415%0.15CC..  cis-112.6127.2-41-168.1-74.5000106.6P106 F110 E455 Q476 W481 T482 N483P106-F479 HydrophobicContact CB-CD1 4.16Å; P106-F479 HydrophobicContact CB-CD2 4.32Å; P106-F479 HydrophobicContact CB-CE1 3.61Å; P106-F479 HydrophobicContact CB-CE2 3.78Å; P106-F479 HydrophobicContact CB-CZ 3.41Å; P106-F479 VanDerWaalsContact CB-CZ 3.41Å; P106-F479 HydrophobicContact CG-CZ 4.45Å; P106-F479 CarbonylContact O-C 3.53Å; P106-F479 VanDerWaalsContact O-CA 3.23Å; P106-F479 WeakPolarHBondContact O-CA 3.31Å; F110-F479 AromaticContact CD2-CE2 3.69Å; F110-F479 HydrophobicContact CD2-CE2 3.69Å; F110-F479 HydrophobicContact CD2-CZ 4.19Å; F110-F479 AromaticContact CE2-CE2 3.78Å; F110-F479 HydrophobicContact CE2-CE2 3.78Å; F110-F479 HydrophobicContact CE2-CZ 4.25Å; E455-F479 HydrophobicContact CB-CD2 3.56Å; E455-F479 HydrophobicContact CB-CE2 3.72Å; E455-F479 HydrophobicContact CB-CG 4.05Å; E455-F479 HydrophobicContact CB-CZ 4.35Å; E455-F479 HydrophobicContact CG-CD2 3.97Å; E455-F479 HydrophobicContact CG-CE1 4.41Å; E455-F479 HydrophobicContact CG-CE2 3.6Å; E455-F479 HydrophobicContact CG-CG 4.5Å; E455-F479 HydrophobicContact CG-CZ 3.82Å; Q476-F479 HydrophobicContact CB-CD2 4.21Å; Q476-F479 HydrophobicContact CB-CE2 4.23Å; F479-W481 AromaticContact CD1-CD1 3.09Å; F479-W481 HydrophobicContact CD1-CD2 4.01Å; F479-W481 AromaticContact CD1-CE2 3.62Å; F479-W481 AromaticContact CD1-CG 3.67Å; F479-W481 HydrophobicContact CD1-CG 3.67Å; F479-W481 HydrophobicContact CD1-CZ2 4.35Å; F479-W481 AromaticContact CD1-NE1 3.1Å; F479-W481 AromaticContact CE1-CD1 3.48Å; F479-W481 VanDerWaalsContact CE1-CD1 3.48Å; F479-W481 AromaticContact CE1-CD2 3.55Å; F479-W481 HydrophobicContact CE1-CD2 3.55Å; F479-W481 AromaticContact CE1-CE2 3.18Å; F479-W481 HydrophobicContact CE1-CE3 4.32Å; F479-W481 AromaticContact CE1-CG 3.69Å; F479-W481 HydrophobicContact CE1-CG 3.69Å; F479-W481 HydrophobicContact CE1-CH2 4.38Å; F479-W481 AromaticContact CE1-CZ2 3.6Å; F479-W481 HydrophobicContact CE1-CZ2 3.6Å; F479-W481 AromaticContact CE1-NE1 3.23Å; F479-W481 AromaticContact CG-NE1 3.95Å; F479-W481 AromaticContact CZ-CE2 3.96Å; F479-W481 AromaticContact CZ-CZ2 3.91Å; F479-W481 HydrophobicContact CZ-CZ2 3.91Å; F479-W481 PolarHBondContact O-N 3.09Å; F479-W481 VanDerWaalsContact O-N 3.13Å; F479-T482 WeakPolarHBondContact O-CA 3.49Å; F479-T482 WeakPolarHBondContact O-CB 3.43Å; F479-T482 PolarHBondContact O-N 3.49Å; F479-N483 PolarHBondContact N-ND2 3.15Å; F479-N483 PolarHBondContact N-OD1 3.06Å; F479-N483 PolarHBondContact O-N 3.37Å; F479-N483 PolarHBondContact O-OD1 3.4Å
480G96.8Very high94.7Very high0 Ų023.1 Ų23.10%013%0.134CC..Hα-helixtrans-46.4-49.8-165.300000115P106 T121 T482 G484P106-G480 PolarHBondContact O-N 3.41Å; T121-G480 WeakPolarHBondContact OG1-CA 3.21Å; G480-T482 VanDerWaalsContact C-N 3.3Å; G480-T482 PolarHBondContact O-N 3.21Å; G480-G484 PolarHBondContact O-N 3.1Å
481W97.7Very high94.6Very high6 Ų623.8 Ų23.82%0.02313%0.129CC..Hα-helixtrans-66.1-29.5179.262.618.4000114.3W116 D117 W120 W403 W409 P411 E455 F479 V485W116-W481 AromaticContact CE2-CZ3 3.95Å; W116-W481 HydrophobicContact CZ2-CH2 4.49Å; W116-W481 AromaticContact CZ2-CZ3 3.89Å; W116-W481 HydrophobicContact CZ2-CZ3 3.89Å; W116-W481 AromaticContact NE1-CZ3 3.84Å; D117-W481 HydrophobicContact CB-CE3 4.39Å; D117-W481 WeakPolarHBondContact OD1-CZ3 3.38Å; W120-W481 HydrophobicContact CB-CB 3.59Å; W120-W481 HydrophobicContact CE3-CB 4.43Å; W120-W481 HydrophobicContact CE3-CE3 4.41Å; W120-W481 HydrophobicContact CG-CB 4.26Å; W403-W481 AromaticContact CH2-CH2 3.97Å; W403-W481 HydrophobicContact CH2-CH2 3.97Å; W403-W481 HydrophobicContact CH2-CZ3 4.26Å; W403-W481 AromaticContact CZ2-CH2 3.85Å; W403-W481 HydrophobicContact CZ2-CH2 3.85Å; W403-W481 HydrophobicContact CZ2-CZ3 4.43Å; W409-W481 AromaticContact CE3-CH2 3.45Å; W409-W481 HydrophobicContact CE3-CH2 3.45Å; W409-W481 VanDerWaalsContact CE3-CH2 3.45Å; W409-W481 AromaticContact CE3-CZ2 3.19Å; W409-W481 HydrophobicContact CE3-CZ2 3.19Å; W409-W481 AromaticContact CZ3-CH2 3.46Å; W409-W481 HydrophobicContact CZ3-CH2 3.46Å; W409-W481 VanDerWaalsContact CZ3-CH2 3.46Å; W409-W481 AromaticContact CZ3-CZ2 3.26Å; W409-W481 HydrophobicContact CZ3-CZ2 3.26Å; P411-W481 HydrophobicContact CG-CB 4.35Å; P411-W481 HydrophobicContact CG-CD2 3.57Å; P411-W481 HydrophobicContact CG-CE3 3.17Å; P411-W481 HydrophobicContact CG-CG 4.1Å; P411-W481 HydrophobicContact CG-CZ3 3.72Å; E455-W481 HydrophobicContact CG-CZ2 3.73Å; E455-W481 PolarHBondContact O-NE1 3.01Å; F479-W481 AromaticContact CD1-CD1 3.09Å; F479-W481 HydrophobicContact CD1-CD2 4.01Å; F479-W481 AromaticContact CD1-CE2 3.62Å; F479-W481 AromaticContact CD1-CG 3.67Å; F479-W481 HydrophobicContact CD1-CG 3.67Å; F479-W481 HydrophobicContact CD1-CZ2 4.35Å; F479-W481 AromaticContact CD1-NE1 3.1Å; F479-W481 AromaticContact CE1-CD1 3.48Å; F479-W481 VanDerWaalsContact CE1-CD1 3.48Å; F479-W481 AromaticContact CE1-CD2 3.55Å; F479-W481 HydrophobicContact CE1-CD2 3.55Å; F479-W481 AromaticContact CE1-CE2 3.18Å; F479-W481 HydrophobicContact CE1-CE3 4.32Å; F479-W481 AromaticContact CE1-CG 3.69Å; F479-W481 HydrophobicContact CE1-CG 3.69Å; F479-W481 HydrophobicContact CE1-CH2 4.38Å; F479-W481 AromaticContact CE1-CZ2 3.6Å; F479-W481 HydrophobicContact CE1-CZ2 3.6Å; F479-W481 AromaticContact CE1-NE1 3.23Å; F479-W481 AromaticContact CG-NE1 3.95Å; F479-W481 AromaticContact CZ-CE2 3.96Å; F479-W481 AromaticContact CZ-CZ2 3.91Å; F479-W481 HydrophobicContact CZ-CZ2 3.91Å; F479-W481 PolarHBondContact O-N 3.09Å; F479-W481 VanDerWaalsContact O-N 3.13Å; W481-V485 WeakPolarHBondContact O-CB 3.5Å; W481-V485 WeakPolarHBondContact O-CG2 3.19Å; W481-V485 PolarHBondContact O-N 2.96Å
482T98.3Very high94.7Very high0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-79.5-45.1-173.2-65.50000106W439 T443 M453 F454 Y457 F479 G480 G484 V485 T486W439-T482 HydrophobicContact CZ2-CG2 4.29Å; T443-T482 HydrophobicContact CG2-CG2 4.46Å; M453-T482 HydrophobicContact CE-CG2 3.54Å; F454-T482 WeakPolarHBondContact O-CB 3.07Å; F454-T482 PolarHBondContact O-OG1 2.9Å; Y457-T482 HydrophobicContact CE2-CG2 3.61Å; F479-T482 WeakPolarHBondContact O-CA 3.49Å; F479-T482 WeakPolarHBondContact O-CB 3.43Å; F479-T482 PolarHBondContact O-N 3.49Å; G480-T482 VanDerWaalsContact C-N 3.3Å; G480-T482 PolarHBondContact O-N 3.21Å; T482-G484 VanDerWaalsContact C-N 3.34Å; T482-G484 PolarHBondContact O-N 3.17Å; T482-V485 PolarHBondContact O-N 2.72Å; T482-T486 WeakPolarHBondContact O-CB 3.43Å; T482-T486 PolarHBondContact O-N 2.67Å; T482-T486 PolarHBondContact O-OG1 3.33Å
483N97.8Very high95Very high0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-58.7-49.6175-57.2-10.8000109.8L72 I75 W76 M453 G478 F479 V485 T486 M487L72-N483 HydrophobicContact CD2-CB 4.35Å; I75-N483 HydrophobicContact CG2-CB 4.31Å; I75-N483 WeakPolarHBondContact CG2-ND2 3.48Å; W76-N483 HydrophobicContact CH2-CB 3.68Å; W76-N483 HydrophobicContact CZ2-CB 4.17Å; W76-N483 HydrophobicContact CZ3-CB 4.27Å; M453-N483 WeakPolarHBondContact CB-OD1 3.18Å; M453-N483 WeakPolarHBondContact CG-OD1 3.49Å; G478-N483 PolarHBondContact O-ND2 2.94Å; G478-N483 PolarHBondContact O-OD1 3.05Å; F479-N483 PolarHBondContact N-ND2 3.15Å; F479-N483 PolarHBondContact N-OD1 3.06Å; F479-N483 PolarHBondContact O-N 3.37Å; F479-N483 PolarHBondContact O-OD1 3.4Å; N483-V485 PolarHBondContact O-N 3.09Å; N483-T486 PolarHBondContact O-N 2.58Å; N483-M487 WeakPolarHBondContact O-CB 3.21Å; N483-M487 WeakPolarHBondContact O-CG 3.21Å; N483-M487 PolarHBondContact O-N 3.39Å
484G98Very high95.1Very high0 Ų024.5 Ų24.50%013%0.126CC..Hα-helixtrans-62.4-43.3-179.700000114.1W120 G480 T482 T488W120-G484 WeakPolarHBondContact O-CA 3.13Å; G480-G484 PolarHBondContact O-N 3.1Å; T482-G484 VanDerWaalsContact C-N 3.34Å; T482-G484 PolarHBondContact O-N 3.17Å; G484-T488 WeakPolarHBondContact O-CB 3.39Å; G484-T488 PolarHBondContact O-N 2.96Å; G484-T488 VanDerWaalsContact O-N 3.08Å; G484-T488 PolarHBondContact O-OG1 3.11Å
485V98.3Very high95Very high0 Ų020.1 Ų20.10%011%0.114CC..Hα-helixtrans-66.5-46.7175.5170.30000111.4W120 A410 H414 W481 T482 N483 M487 T488 F489W120-V485 HydrophobicContact CB-CG2 4.15Å; W120-V485 HydrophobicContact CG-CG2 3.94Å; A410-V485 HydrophobicContact CB-CB 3.93Å; A410-V485 HydrophobicContact CB-CG1 4.25Å; A410-V485 HydrophobicContact CB-CG2 3.91Å; H414-V485 HydrophobicContact CB-CG1 4.11Å; H414-V485 HydrophobicContact CB-CG2 3.74Å; W481-V485 WeakPolarHBondContact O-CB 3.5Å; W481-V485 WeakPolarHBondContact O-CG2 3.19Å; W481-V485 PolarHBondContact O-N 2.96Å; T482-V485 PolarHBondContact O-N 2.72Å; N483-V485 PolarHBondContact O-N 3.09Å; V485-M487 PolarHBondContact O-N 2.78Å; V485-T488 WeakPolarHBondContact O-CB 3.44Å; V485-T488 PolarHBondContact O-N 3.25Å; V485-F489 HydrophobicContact CG1-CD2 4Å; V485-F489 HydrophobicContact CG1-CE1 4.46Å; V485-F489 HydrophobicContact CG1-CE2 3.75Å; V485-F489 HydrophobicContact CG1-CG 4.46Å; V485-F489 HydrophobicContact CG1-CZ 4.02Å; V485-F489 WeakPolarHBondContact O-CG 3.1Å; V485-F489 PolarHBondContact O-N 3.04Å
486T97.7Very high95Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-63-44-179.3-67.50000111.3W68 L72 W439 L440 M453 T482 N483 T488 F489 L490W68-T486 HydrophobicContact CH2-CG2 3.49Å; W68-T486 VanDerWaalsContact CH2-CG2 3.49Å; W68-T486 HydrophobicContact CZ2-CG2 3.64Å; W68-T486 HydrophobicContact CZ3-CG2 4.17Å; L72-T486 HydrophobicContact CD1-CG2 3.65Å; W439-T486 PolarHBondContact NE1-OG1 3.5Å; L440-T486 HydrophobicContact CD2-CG2 3.89Å; M453-T486 HydrophobicContact CE-CG2 4.28Å; T482-T486 WeakPolarHBondContact O-CB 3.43Å; T482-T486 PolarHBondContact O-N 2.67Å; T482-T486 PolarHBondContact O-OG1 3.33Å; N483-T486 PolarHBondContact O-N 2.58Å; T486-T488 PolarHBondContact O-N 2.82Å; T486-F489 PolarHBondContact O-N 3.45Å; T486-L490 HydrophobicContact CG2-CD1 4.02Å; T486-L490 HydrophobicContact CG2-CG 4.3Å; T486-L490 WeakPolarHBondContact O-CB 3.49Å; T486-L490 WeakPolarHBondContact O-CG 3.4Å; T486-L490 PolarHBondContact O-N 3.46Å
487M96.2Very high95Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-61.1-44174.6-69177.779.900111.7F56 L69 L72 H73 W76 V127 S128 N483 V485 F489 L490 L491F56-M487 HydrophobicContact CE2-CE 4.02Å; F56-M487 HydrophobicContact CZ-CE 3.97Å; L69-M487 HydrophobicContact CD1-CB 4.3Å; L69-M487 HydrophobicContact CD1-CE 4.13Å; L69-M487 HydrophobicContact CD1-CG 3.98Å; L72-M487 HydrophobicContact CB-CG 3.79Å; L72-M487 HydrophobicContact CB-SD 4.04Å; L72-M487 HydrophobicContact CD1-CG 4.02Å; L72-M487 HydrophobicContact CG-CG 4.49Å; H73-M487 HydrophobicContact CB-CE 4.06Å; W76-M487 HydrophobicContact CZ2-SD 3.7Å; V127-M487 HydrophobicContact CG1-CB 4.13Å; V127-M487 HydrophobicContact CG1-CE 4.36Å; S128-M487 WeakPolarHBondContact OG-CE 3.38Å; N483-M487 WeakPolarHBondContact O-CB 3.21Å; N483-M487 WeakPolarHBondContact O-CG 3.21Å; N483-M487 PolarHBondContact O-N 3.39Å; V485-M487 PolarHBondContact O-N 2.78Å; M487-F489 VanDerWaalsContact C-N 3.32Å; M487-F489 PolarHBondContact O-N 3.36Å; M487-L490 PolarHBondContact O-N 2.95Å; M487-L491 PolarHBondContact O-N 2.86Å; M487-L491 VanDerWaalsContact O-N 3.12Å
488T95.5Very high94.8Very high25 Ų2517.7 Ų17.715%0.15310%0.098CC..Hα-helixtrans-58.8-44.7176.9-59.40000111.2G484 V485 T486 K492G484-T488 WeakPolarHBondContact O-CB 3.39Å; G484-T488 PolarHBondContact O-N 2.96Å; G484-T488 VanDerWaalsContact O-N 3.08Å; G484-T488 PolarHBondContact O-OG1 3.11Å; V485-T488 WeakPolarHBondContact O-CB 3.44Å; V485-T488 PolarHBondContact O-N 3.25Å; T486-T488 PolarHBondContact O-N 2.82Å; T488-K492 VanDerWaalsContact O-CB 3.3Å; T488-K492 WeakPolarHBondContact O-CB 3.32Å; T488-K492 PolarHBondContact O-N 3.11Å
489F96.5Very high94.8Very high6 Ų623.8 Ų23.83%0.02612%0.118CC..Hα-helixtrans-72.4-40.4179.3-72.9-4.4000112.8I413 V417 A436 W439 L440 V485 T486 M487 L491 K492 Y493I413-F489 HydrophobicContact CG2-CE2 3.94Å; I413-F489 HydrophobicContact CG2-CZ 4.43Å; V417-F489 HydrophobicContact CB-CE1 4.2Å; V417-F489 HydrophobicContact CB-CZ 3.72Å; V417-F489 HydrophobicContact CG1-CE1 3.82Å; V417-F489 HydrophobicContact CG1-CZ 3.79Å; V417-F489 HydrophobicContact CG2-CE2 4.25Å; V417-F489 HydrophobicContact CG2-CZ 3.81Å; A436-F489 HydrophobicContact CB-CB 4.46Å; A436-F489 HydrophobicContact CB-CD1 4.32Å; A436-F489 HydrophobicContact CB-CD2 3.86Å; A436-F489 HydrophobicContact CB-CE2 4.08Å; A436-F489 HydrophobicContact CB-CG 3.98Å; A436-F489 HydrophobicContact CB-CZ 4.38Å; W439-F489 HydrophobicContact CB-CD2 4.36Å; W439-F489 HydrophobicContact CB-CE2 4.31Å; W439-F489 AromaticContact CD1-CD2 3.74Å; W439-F489 HydrophobicContact CG-CD2 4.29Å; W439-F489 HydrophobicContact CG-CE2 4.26Å; L440-F489 HydrophobicContact CD1-CB 4.08Å; L440-F489 HydrophobicContact CD2-CB 3.85Å; L440-F489 HydrophobicContact CG-CB 4.02Å; V485-F489 HydrophobicContact CG1-CD2 4Å; V485-F489 HydrophobicContact CG1-CE1 4.46Å; V485-F489 HydrophobicContact CG1-CE2 3.75Å; V485-F489 HydrophobicContact CG1-CG 4.46Å; V485-F489 HydrophobicContact CG1-CZ 4.02Å; V485-F489 WeakPolarHBondContact O-CG 3.1Å; V485-F489 PolarHBondContact O-N 3.04Å; T486-F489 PolarHBondContact O-N 3.45Å; M487-F489 VanDerWaalsContact C-N 3.32Å; M487-F489 PolarHBondContact O-N 3.36Å; F489-L491 PolarHBondContact O-N 3.12Å; F489-K492 PolarHBondContact O-N 2.54Å; F489-Y493 HydrophobicContact CB-CD2 4.28Å; F489-Y493 HydrophobicContact CD1-CD2 4.34Å; F489-Y493 HydrophobicContact CD1-CE2 4.1Å; F489-Y493 HydrophobicContact CG-CD2 4.45Å; F489-Y493 WeakPolarHBondContact O-CB 3.36Å; F489-Y493 PolarHBondContact O-N 3.14Å
490L94Very high94.5Very high0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-56.9-49.2177.7-83.9173.6000111.2L61 W68 L69 L72 L440 T486 M487 K492 A494 F497L61-L490 HydrophobicContact CD1-CB 4.5Å; W68-L490 HydrophobicContact CD2-CD1 4.3Å; W68-L490 HydrophobicContact CE3-CD1 3.77Å; W68-L490 HydrophobicContact CE3-CD2 4.01Å; W68-L490 HydrophobicContact CE3-CG 4.41Å; W68-L490 HydrophobicContact CZ3-CD1 3.95Å; W68-L490 HydrophobicContact CZ3-CD2 3.83Å; W68-L490 HydrophobicContact CZ3-CG 4.21Å; L69-L490 HydrophobicContact CB-CD1 4.43Å; L69-L490 HydrophobicContact CD1-CD1 4.11Å; L72-L490 HydrophobicContact CD1-CD1 3.72Å; L440-L490 HydrophobicContact CD1-CD2 4.22Å; L440-L490 HydrophobicContact CD2-CD2 3.91Å; L440-L490 HydrophobicContact CD2-CG 3.7Å; T486-L490 HydrophobicContact CG2-CD1 4.02Å; T486-L490 HydrophobicContact CG2-CG 4.3Å; T486-L490 WeakPolarHBondContact O-CB 3.49Å; T486-L490 WeakPolarHBondContact O-CG 3.4Å; T486-L490 PolarHBondContact O-N 3.46Å; M487-L490 PolarHBondContact O-N 2.95Å; L490-K492 VanDerWaalsContact C-N 3.33Å; L490-K492 PolarHBondContact O-N 3.02Å; L490-A494 VanDerWaalsContact O-CA 3.23Å; L490-A494 WeakPolarHBondContact O-CA 2.96Å; L490-A494 VanDerWaalsContact O-CB 3.3Å; L490-A494 WeakPolarHBondContact O-CB 3.22Å; L490-A494 PolarHBondContact O-N 2.9Å; L490-F497 HydrophobicContact CD2-CD1 3.67Å; L490-F497 HydrophobicContact CD2-CE1 3.72Å
491L91.9Very high94.2Very high51 Ų5130.1 Ų30.127%0.26715%0.149SC..Hα-helixtrans-70.1-31.6-179-72.5-172.1000113.2F56 L69 V127 M487 F489F56-L491 HydrophobicContact CB-CD1 4.21Å; F56-L491 HydrophobicContact CD2-CD1 4.18Å; F56-L491 HydrophobicContact CD2-CD2 4.48Å; F56-L491 HydrophobicContact CG-CD1 4.47Å; L69-L491 HydrophobicContact CD2-CD2 3.66Å; L69-L491 HydrophobicContact CD2-CG 4.37Å; V127-L491 HydrophobicContact CB-CD1 4.44Å; V127-L491 HydrophobicContact CG1-CD1 3.26Å; V127-L491 HydrophobicContact CG1-CG 4.23Å; M487-L491 PolarHBondContact O-N 2.86Å; M487-L491 VanDerWaalsContact O-N 3.12Å; F489-L491 PolarHBondContact O-N 3.12Å
492K92.9Very high93.7Very high115 Ų11536.2 Ų36.250%0.518%0.175SC..Hα-helixtrans-82-37.4-178.2-172171.1-178.8179.70113.3T488 F489 L490T488-K492 VanDerWaalsContact O-CB 3.3Å; T488-K492 WeakPolarHBondContact O-CB 3.32Å; T488-K492 PolarHBondContact O-N 3.11Å; F489-K492 PolarHBondContact O-N 2.54Å; L490-K492 VanDerWaalsContact C-N 3.33Å; L490-K492 PolarHBondContact O-N 3.02Å
493Y93.9Very high93.2Very high9 Ų938 Ų384%0.03519%0.188CC..Hα-helixtrans-118.619.6-171.1-55.6-69.6000112.9V417 Q421 E433 A436 F489 S495 A496 F497V417-Y493 HydrophobicContact CG1-CE2 4.26Å; Q421-Y493 PolarHBondContact OE1-OH 3.31Å; E433-Y493 HydrophobicContact CB-CD1 3.86Å; E433-Y493 HydrophobicContact CB-CE1 3.84Å; E433-Y493 HydrophobicContact CG-CD1 3.71Å; E433-Y493 HydrophobicContact CG-CE1 4.23Å; E433-Y493 HydrophobicContact CG-CG 4.49Å; A436-Y493 HydrophobicContact CB-CD2 3.3Å; A436-Y493 HydrophobicContact CB-CE2 3.45Å; A436-Y493 VanDerWaalsContact CB-CE2 3.45Å; A436-Y493 HydrophobicContact CB-CG 3.99Å; F489-Y493 HydrophobicContact CB-CD2 4.28Å; F489-Y493 HydrophobicContact CD1-CD2 4.34Å; F489-Y493 HydrophobicContact CD1-CE2 4.1Å; F489-Y493 HydrophobicContact CG-CD2 4.45Å; F489-Y493 WeakPolarHBondContact O-CB 3.36Å; F489-Y493 PolarHBondContact O-N 3.14Å; Y493-S495 PolarHBondContact O-N 2.82Å; Y493-A496 WeakPolarHBondContact O-CB 3.3Å; Y493-A496 PolarHBondContact O-N 2.78Å; Y493-F497 PolarHBondContact O-N 3.17Å
494A89.6Confident92.3Very high15 Ų1540.6 Ų40.612%0.12421%0.209CC..Hα-helixtrans-38.5-60177.600000114L61 L490 A496 F497 E498L61-A494 HydrophobicContact CD2-CB 3.19Å; L490-A494 VanDerWaalsContact O-CA 3.23Å; L490-A494 WeakPolarHBondContact O-CA 2.96Å; L490-A494 VanDerWaalsContact O-CB 3.3Å; L490-A494 WeakPolarHBondContact O-CB 3.22Å; L490-A494 PolarHBondContact O-N 2.9Å; A494-A496 VanDerWaalsContact C-N 3.29Å; A494-A496 PolarHBondContact O-N 3.2Å; A494-F497 PolarHBondContact O-N 2.88Å; A494-E498 WeakPolarHBondContact O-CB 3.3Å; A494-E498 PolarHBondContact O-N 3.06Å
495S90.2Very high91.2Very high75 Ų7543.8 Ų43.852%0.52424%0.236SC..Hα-helixtrans-65.8-33.3-174.7-49.20000112.3Y493 R499Y493-S495 PolarHBondContact O-N 2.82Å; S495-R499 VanDerWaalsContact O-CG 3.31Å; S495-R499 WeakPolarHBondContact O-CG 3.44Å; S495-R499 PolarHBondContact O-N 3.34Å; S495-R499 PolarHBondContact O-NH1 3.4Å
496A93.2Very high89.7Confident6 Ų648.3 Ų48.35%0.0527%0.267CS..Hα-helixtrans-70.7-44.1176.700000111.5E433 V437 Y493 A494 R499 E500E433-A496 HydrophobicContact CG-CB 3.65Å; E433-A496 WeakPolarHBondContact OE1-CB 3.33Å; V437-A496 HydrophobicContact CG2-CB 3.72Å; Y493-A496 WeakPolarHBondContact O-CB 3.3Å; Y493-A496 PolarHBondContact O-N 2.78Å; A494-A496 VanDerWaalsContact C-N 3.29Å; A494-A496 PolarHBondContact O-N 3.2Å; A496-R499 PolarHBondContact O-N 3.41Å; A496-E500 PolarHBondContact O-N 3.26Å
497F93.5Very high87.8Confident0 Ų055.5 Ų55.50%030%0.301CS..Hα-helixtrans-64.3-42.6177.5-178.5-139.5000112.4L65 W68 V437 L440 L441 Y444 L490 Y493 A494 R499 E500 L501L65-F497 HydrophobicContact CD1-CD1 3.72Å; L65-F497 HydrophobicContact CD1-CE1 3.98Å; L65-F497 HydrophobicContact CD2-CD1 4.13Å; L65-F497 HydrophobicContact CD2-CE1 3.49Å; L65-F497 VanDerWaalsContact CD2-CE1 3.49Å; L65-F497 HydrophobicContact CD2-CZ 4.24Å; L65-F497 HydrophobicContact CG-CE1 4.37Å; W68-F497 HydrophobicContact CE3-CE1 4.45Å; W68-F497 AromaticContact CZ3-CE1 3.95Å; W68-F497 HydrophobicContact CZ3-CE1 3.95Å; W68-F497 HydrophobicContact CZ3-CZ 4.21Å; V437-F497 HydrophobicContact CG1-CD2 4.2Å; V437-F497 HydrophobicContact CG2-CB 4.29Å; L440-F497 HydrophobicContact CB-CD1 4.15Å; L440-F497 HydrophobicContact CB-CD2 3.81Å; L440-F497 HydrophobicContact CB-CE1 4.08Å; L440-F497 HydrophobicContact CB-CE2 3.74Å; L440-F497 HydrophobicContact CB-CG 4.01Å; L440-F497 HydrophobicContact CB-CZ 3.88Å; L440-F497 HydrophobicContact CD1-CB 3.93Å; L440-F497 HydrophobicContact CD1-CD1 3.98Å; L440-F497 HydrophobicContact CD1-CD2 4.44Å; L440-F497 HydrophobicContact CD1-CG 3.87Å; L441-F497 HydrophobicContact CB-CE2 4.47Å; L441-F497 HydrophobicContact CD2-CD2 4.33Å; L441-F497 HydrophobicContact CD2-CE2 3.74Å; L441-F497 HydrophobicContact CG-CD2 4.22Å; L441-F497 HydrophobicContact CG-CE2 3.81Å; Y444-F497 HydrophobicContact CD1-CZ 4.31Å; Y444-F497 HydrophobicContact CG-CZ 4.13Å; L490-F497 HydrophobicContact CD2-CD1 3.67Å; L490-F497 HydrophobicContact CD2-CE1 3.72Å; Y493-F497 PolarHBondContact O-N 3.17Å; A494-F497 PolarHBondContact O-N 2.88Å; F497-R499 VanDerWaalsContact C-N 3.33Å; F497-R499 PolarHBondContact O-N 2.7Å; F497-E500 PolarHBondContact O-N 2.89Å; F497-L501 HydrophobicContact CD1-CD1 4.31Å; F497-L501 HydrophobicContact CD2-CD1 4.31Å; F497-L501 HydrophobicContact CD2-CG 4.22Å; F497-L501 HydrophobicContact CE1-CD1 3.89Å; F497-L501 HydrophobicContact CE2-CD1 3.88Å; F497-L501 HydrophobicContact CE2-CD2 4.13Å; F497-L501 HydrophobicContact CE2-CG 3.85Å; F497-L501 HydrophobicContact CZ-CD1 3.66Å; F497-L501 HydrophobicContact CZ-CD2 4.34Å; F497-L501 HydrophobicContact CZ-CG 4.13Å; F497-L501 PolarHBondContact O-N 3.21Å
498E90.6Very high85.1Confident51 Ų5160.1 Ų60.124%0.23833%0.329CS..Hα-helixtrans-59.2-43176-174.7-167.1171.300112.2P62 A494 E500 L501 K502P62-E498 VanDerWaalsContact CG-CD 3.49Å; P62-E498 HydrophobicContact CG-CG 3.83Å; A494-E498 WeakPolarHBondContact O-CB 3.3Å; A494-E498 PolarHBondContact O-N 3.06Å; E498-E500 VanDerWaalsContact C-N 3.31Å; E498-E500 PolarHBondContact O-N 3.24Å; E498-L501 PolarHBondContact O-N 3.07Å; E498-K502 HydrophobicContact CG-CD 4.29Å; E498-K502 WeakPolarHBondContact O-CG 3.47Å; E498-K502 PolarHBondContact O-N 3.44Å; E498-K502 VanDerWaalsContact OE1-CE 3.26Å; E498-K502 WeakPolarHBondContact OE1-CE 3.42Å; E498-K502 IonicContact OE1-NZ 2.81Å; E498-K502 PolarHBondContact OE1-NZ 2.73Å
499R91.5Very high82.2Confident139 Ų13963.5 Ų63.553%0.52535%0.352SS..Hα-helixtrans-58.7-43.7176.5-75.3-174.5-53.3-99.89.4111.4E433 S495 A496 F497 K502 S503E433-R499 IonicContact OE1-NH2 3.24Å; E433-R499 PolarHBondContact OE1-NH2 3.37Å; S495-R499 VanDerWaalsContact O-CG 3.31Å; S495-R499 WeakPolarHBondContact O-CG 3.44Å; S495-R499 PolarHBondContact O-N 3.34Å; S495-R499 PolarHBondContact O-NH1 3.4Å; A496-R499 PolarHBondContact O-N 3.41Å; F497-R499 VanDerWaalsContact C-N 3.33Å; F497-R499 PolarHBondContact O-N 2.7Å; R499-K502 PolarHBondContact O-N 3.18Å; R499-S503 PolarHBondContact O-N 3.08Å
500E91.4Very high79.1Confident93 Ų9371.1 Ų71.144%0.43539%0.391SS..Hα-helixtrans-69.6-36.6178.9-70.3-55.815800113.1V437 L441 A496 F497 E498 K502 S503 A504V437-E500 HydrophobicContact CG1-CB 4Å; V437-E500 HydrophobicContact CG1-CG 3.68Å; L441-E500 HydrophobicContact CD1-CB 4.36Å; A496-E500 PolarHBondContact O-N 3.26Å; F497-E500 PolarHBondContact O-N 2.89Å; E498-E500 VanDerWaalsContact C-N 3.31Å; E498-E500 PolarHBondContact O-N 3.24Å; E500-K502 PolarHBondContact O-N 3.19Å; E500-S503 PolarHBondContact O-N 3.19Å; E500-S503 PolarHBondContact O-OG 3.12Å; E500-S503 PolarHBondContact OE2-OG 2.92Å; E500-A504 WeakPolarHBondContact O-CB 3.39Å; E500-A504 PolarHBondContact O-N 3.3Å
501L88.7Confident76Confident42 Ų4279.8 Ų79.822%0.2243%0.429CS..Hα-helixtrans-64.7-40.7174.6-75174.1000112.3L65 L441 Y444 F497 E498 A504 A505L65-L501 HydrophobicContact CD1-CD1 4.07Å; L65-L501 HydrophobicContact CD2-CD1 3.64Å; L65-L501 HydrophobicContact CG-CD1 4.18Å; L441-L501 HydrophobicContact CD2-CD2 3.83Å; L441-L501 HydrophobicContact CD2-CG 4.39Å; Y444-L501 HydrophobicContact CD1-CD2 4.08Å; Y444-L501 HydrophobicContact CE1-CD1 4.49Å; Y444-L501 HydrophobicContact CE1-CD2 4.18Å; F497-L501 HydrophobicContact CD1-CD1 4.31Å; F497-L501 HydrophobicContact CD2-CD1 4.31Å; F497-L501 HydrophobicContact CD2-CG 4.22Å; F497-L501 HydrophobicContact CE1-CD1 3.89Å; F497-L501 HydrophobicContact CE2-CD1 3.88Å; F497-L501 HydrophobicContact CE2-CD2 4.13Å; F497-L501 HydrophobicContact CE2-CG 3.85Å; F497-L501 HydrophobicContact CZ-CD1 3.66Å; F497-L501 HydrophobicContact CZ-CD2 4.34Å; F497-L501 HydrophobicContact CZ-CG 4.13Å; F497-L501 PolarHBondContact O-N 3.21Å; E498-L501 PolarHBondContact O-N 3.07Å; L501-A504 PolarHBondContact O-N 2.7Å; L501-A505 PolarHBondContact O-N 3.38Å; L501-A505 VanDerWaalsContact O-N 3.09Å
502K87.7Confident72.9Confident133 Ų13385.1 Ų85.158%0.57845%0.452SS*.Hα-helixtrans-65.6-39.2175.1-74174.6172.5173.90111.8E498 R499 E500 A505 S506E498-K502 HydrophobicContact CG-CD 4.29Å; E498-K502 WeakPolarHBondContact O-CG 3.47Å; E498-K502 PolarHBondContact O-N 3.44Å; E498-K502 VanDerWaalsContact OE1-CE 3.26Å; E498-K502 WeakPolarHBondContact OE1-CE 3.42Å; E498-K502 IonicContact OE1-NZ 2.81Å; E498-K502 PolarHBondContact OE1-NZ 2.73Å; R499-K502 PolarHBondContact O-N 3.18Å; E500-K502 PolarHBondContact O-N 3.19Å; K502-A505 PolarHBondContact O-N 2.83Å; K502-S506 PolarHBondContact O-N 3Å; K502-S506 VanDerWaalsContact O-N 3.13Å
503S87.1Confident69.9Low39 Ų3984.9 Ų84.927%0.27346%0.462SS..Hα-helixtrans-62.3-46.6177.385.60000110.6R499 E500 A505 S506 Q507R499-S503 PolarHBondContact O-N 3.08Å; E500-S503 PolarHBondContact O-N 3.19Å; E500-S503 PolarHBondContact O-OG 3.12Å; E500-S503 PolarHBondContact OE2-OG 2.92Å; S503-A505 PolarHBondContact O-N 3.27Å; S503-S506 PolarHBondContact O-N 3.16Å; S503-S506 PolarHBondContact O-OG 3.23Å; S503-Q507 WeakPolarHBondContact O-CG 3.36Å; S503-Q507 PolarHBondContact O-N 2.92Å
504A78.8Confident66.7Low53 Ų5388.8 Ų88.844%0.43849%0.491SS..Hα-helixtrans-61.8-43.1178.200000112.6E500 L501 S506 Q507E500-A504 WeakPolarHBondContact O-CB 3.39Å; E500-A504 PolarHBondContact O-N 3.3Å; L501-A504 PolarHBondContact O-N 2.7Å; A504-S506 VanDerWaalsContact C-N 3.3Å; A504-S506 PolarHBondContact O-N 3.45Å; A504-Q507 PolarHBondContact O-N 3.22Å
505A75.8Confident63.8Low68 Ų6899 Ų9956%0.56253%0.528SS*.Hα-helixtrans-64.8-31.9177.600000113.2L501 K502 S503 Q507 T508L501-A505 PolarHBondContact O-N 3.38Å; L501-A505 VanDerWaalsContact O-N 3.09Å; K502-A505 PolarHBondContact O-N 2.83Å; S503-A505 PolarHBondContact O-N 3.27Å; A505-Q507 VanDerWaalsContact C-N 3.34Å; A505-T508 PolarHBondContact O-OG1 2.77Å
506S66.7Low60.7Low95 Ų95102.6 Ų102.666%0.66454%0.541SS*.Hα-helixtrans-76.1-20.317871.80000114K502 S503 A504K502-S506 PolarHBondContact O-N 3Å; K502-S506 VanDerWaalsContact O-N 3.13Å; S503-S506 PolarHBondContact O-N 3.16Å; S503-S506 PolarHBondContact O-OG 3.23Å; A504-S506 VanDerWaalsContact C-N 3.3Å; A504-S506 PolarHBondContact O-N 3.45Å
507Q57.2Low57.5Low150 Ų150110.2 Ų110.270%0.70158%0.58SS**Hα-helixtrans-90.3-12.8-178.3-70.4-179.319.500113.8S503 A504 A505 P509S503-Q507 WeakPolarHBondContact O-CG 3.36Å; S503-Q507 PolarHBondContact O-N 2.92Å; A504-Q507 PolarHBondContact O-N 3.22Å; A505-Q507 VanDerWaalsContact C-N 3.34Å; Q507-P509 VanDerWaalsContact O-CD 3.3Å; Q507-P509 WeakPolarHBondContact O-CD 3.39Å
508T41.3Very low54.4Low97 Ų97117.5 Ų117.560%0.59562%0.618SS**SBendtrans-68.2113.6165.819.90000109.4A505 I510A505-T508 PolarHBondContact O-OG1 2.77Å; T508-I510 PolarHBondContact O-N 3.22Å
509P32.9Very low51.3Low97 Ų97126.5 Ų126.563%0.6365%0.651SS**  trans-62.4138.317722-23.6000108.3Q507 F511Q507-P509 VanDerWaalsContact O-CD 3.3Å; Q507-P509 WeakPolarHBondContact O-CD 3.39Å; P509-F511 HydrophobicContact CG-CD2 4.35Å; P509-F511 PolarHBondContact O-N 3.39Å
510I33Very low48.2Very low165 Ų165125.8 Ų125.885%0.84666%0.663SS**  trans-59.683170.9-57.8167.2000107.4T508 Q512T508-I510 PolarHBondContact O-N 3.22Å; I510-Q512 PolarHBondContact O-N 2.68Å
511F28.6Very low45.1Very low183 Ų183130.6 Ų130.680%0.80368%0.682SS**  trans-73.6113.4156-99.3-86.8000105.5P509P509-F511 HydrophobicContact CG-CD2 4.35Å; P509-F511 PolarHBondContact O-N 3.39Å
512Q26.4Very low42.3Very low162 Ų162137 Ų13776%0.75772%0.715SS**  trans-46.8137.4171-71-172.7-41.200109.8I510 S514I510-Q512 PolarHBondContact O-N 2.68Å; Q512-S514 VanDerWaalsContact C-N 3.32Å; Q512-S514 PolarHBondContact O-N 2.87Å
513P29.9Very low39.3Very low110 Ų110135.4 Ų135.471%0.71473%0.726SS**  trans-73.99017830.3-31.3000109
514S26.2Very low36.4Very low92 Ų92137.7 Ų137.764%0.64375%0.748SS**  trans-79.1129.514351.70000106.5Q512Q512-S514 VanDerWaalsContact C-N 3.32Å; Q512-S514 PolarHBondContact O-N 2.87Å
515Y28.1Very low34.1Very low228 Ų228142.6 Ų142.689%0.89477%0.766SS**  trans90.756.4-172.8-47.2-69.1000115.8
516L26.4Very low32Very low152 Ų152150.6 Ų150.680%0.79678%0.784SS**  trans-107.7101.9145.7-143.3102.8000106.7
517L26.6Very low30.2Very low166 Ų166154.6 Ų154.687%0.86979%0.794SS**  trans176.2137.3152.6-97157.9000109.8
518L26.7Very low29.1Very low153 Ų153154.1 Ų154.180%0.80180%0.801SS**  trans86.888.6177.2-63.7142.3000114.9
519Y26.5Very low29.1Very low239 Ų239162.2 Ų162.294%0.93783%0.832SS**  -169.387.1120.7-87.3-67000108.8
520V26.5Very low28.9Very low125 Ų125165.5 Ų165.576%0.75884%0.843SS**  trans-140.6136.3157.4-171.70000106.8
521F26.7Very low28.7Very low193 Ų193165.5 Ų165.585%0.84684%0.842SS**  trans88.586.7175.4-64.3-77.7000118
522I28.3Very low28.7Very low177 Ų177164.6 Ų164.691%0.90885%0.845SS**  -143.998128.4-55.1-176.3000108.5
523A26.2Very low28.9Very low99 Ų99164.7 Ų164.782%0.81885%0.85SS**  trans-163.978.7158.400000109.7
524A26.6Very low28.8Very low87 Ų87168.1 Ų168.172%0.71986%0.858SS**  trans175.999.8152.400000108.6
525N30.3Very low29Very low156 Ų156173.2 Ų173.283%0.83487%0.872SS**  trans175.584.2143.8-89.1-19.2000109.2
526Y30.6Very low29Very low236 Ų236169.3 Ų169.393%0.92587%0.871SS**  trans-128.188149.9-92.8-81.4000106.5
527M28.4Very low29.2Very low180 Ų180170.6 Ų170.689%0.88788%0.877SS**  trans-173.4135152.4-104.6175.8178.800109.2
528V36Very low29.4Very low139 Ų139171 Ų17184%0.84288%0.877SS**  trans87.582.4174.8-160.50000116.6
529Q40.6Very low29.7Very low268 Ų268172.6 Ų172.6100%1.25288%0.884SS**  -168.90110.5-105.1-178.4-2.900111.4

Retrieved 529 of 529 residues in 2754.4 ms (Link to these results)

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