A0A087Y0Z0_POEFO Loading...

Acyl-coenzyme A oxidase

Oxidizes the CoA-esters of 2-methyl-branched fatty acids.

AlphaFold DB , UniProt , Accession A0A087Y0Z0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 692 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
1M42.6Very low76.9Confident211 Ų21197.8 Ų97.8100%1.03955%0.547SS*.  0-46.50-83.5-174.2-65.300112.2Q3M1-Q3 PolarHBondContact O-N 3.03Å
2E43Very low78.7Confident177 Ų17794.5 Ų94.583%0.82753%0.533SS*.THydrogen-bonded Turntrans-66.9-10.9179.1-74.8177.9161.900116.2
3Q52.2Low80.2Confident196 Ų19687.2 Ų87.292%0.91649%0.492SS*.THydrogen-bonded Turntrans-86.6-15.8-170.2-80.8-177.6-15.300116.1M1M1-Q3 PolarHBondContact O-N 3.03Å
4V65.3Low81.5Confident28 Ų2883.4 Ų83.417%0.1747%0.47CS..THydrogen-bonded Turntrans-105.9-35-172.8178.90000113.6E34 L37 Q38V4-E34 WeakPolarHBondContact CG2-OE1 3.28Å; V4-L37 HydrophobicContact CG1-CB 4.3Å; V4-Q38 HydrophobicContact CB-CG 4.36Å; V4-Q38 HydrophobicContact CG1-CB 4.41Å; V4-Q38 HydrophobicContact CG1-CG 3.59Å; V4-Q38 HydrophobicContact CG2-CG 3.82Å
5V81.6Confident82.5Confident31 Ų3181.8 Ų81.819%0.18847%0.471CS..SBendtrans-113.6105.1179.3-175.70000109.5W24 K25 L28 L37V5-W24 HydrophobicContact CG1-CH2 3.48Å; V5-W24 VanDerWaalsContact CG1-CH2 3.48Å; V5-W24 HydrophobicContact CG1-CZ3 3.67Å; V5-K25 PolarHBondContact O-NZ 3.26Å; V5-K25 VanDerWaalsContact O-NZ 3.12Å; V5-L28 HydrophobicContact CG1-CD2 4.01Å; V5-L28 HydrophobicContact CG2-CD2 4.17Å; V5-L37 HydrophobicContact CG2-CD1 4.15Å
6A85.4Confident83.5Confident80 Ų8077.1 Ų77.166%0.66144%0.443SS*.PPolyproline II helixtrans-59.9150.8176.800000111.4
7D91.4Very high84.3Confident127 Ų12774.2 Ų74.268%0.67942%0.424SS*.PPolyproline II helixtrans-64.5144.1169.6-70.2-43.8000110.9K25D7-K25 WeakPolarHBondContact OD1-CE 3.37Å; D7-K25 IonicContact OD1-NZ 3.54Å; D7-K25 PolarHBondContact OD1-NZ 2.89Å
8L94.4Very high85.1Confident45 Ų4577.7 Ų77.724%0.23644%0.441CS..PPolyproline II helixtrans-70.1144.2171.9-63.4169.3000108.9S10 W24 D634 A650L8-S10 PolarHBondContact O-N 3.17Å; L8-W24 HydrophobicContact CD1-CD2 4.32Å; L8-W24 HydrophobicContact CD1-CH2 4.26Å; L8-W24 HydrophobicContact CD1-CZ2 3.85Å; L8-W24 HydrophobicContact CD2-CH2 4.45Å; L8-W24 HydrophobicContact CG-CH2 3.99Å; L8-W24 HydrophobicContact CG-CZ2 3.7Å; L8-D634 HydrophobicContact CD1-CB 3.7Å; L8-D634 VanDerWaalsContact CD1-CG 3.4Å; L8-D634 VanDerWaalsContact CD1-OD2 3.32Å; L8-D634 WeakPolarHBondContact CD1-OD2 3.46Å; L8-A650 HydrophobicContact CD2-CB 4.16Å
9P96.4Very high85.7Confident61 Ų6178.6 Ų78.640%0.39644%0.439SS..PPolyproline II helixtrans-60.1138.1176.126.4-34.9000110.4R17 A650 D651P9-R17 PolarHBondContact O-NH1 3.3Å; P9-A650 HydrophobicContact CG-CB 3.82Å; P9-D651 HydrophobicContact CB-CB 4.11Å; P9-D651 HydrophobicContact CG-CB 3.97Å
10S96.3Very high86.4Confident99 Ų9975.9 Ų75.969%0.69243%0.427SS*.PPolyproline II helixtrans-70.1146.3173.5179.60000110.6L8 D14L8-S10 PolarHBondContact O-N 3.17Å; S10-D14 WeakPolarHBondContact CA-OD2 3.42Å; S10-D14 VanDerWaalsContact CB-OD2 3.26Å; S10-D14 WeakPolarHBondContact CB-OD2 3.33Å; S10-D14 PolarHBondContact OG-OD2 3.4Å
11G97.3Very high86.9Confident21 Ų2176 Ų7622%0.21643%0.433CS..SBendtrans166.2-159.9178.800000112.8L13 D14 D651G11-L13 PolarHBondContact O-N 3.46Å; G11-D14 PolarHBondContact N-OD2 3.42Å; G11-D14 WeakPolarHBondContact O-CB 3.46Å; G11-D14 VanDerWaalsContact O-CG 3.3Å; G11-D14 PolarHBondContact O-N 3.41Å; G11-D651 CarbonylContact C-O 3.52Å; G11-D651 VanDerWaalsContact CA-O 3.25Å; G11-D651 WeakPolarHBondContact CA-O 3.35Å
12P98.2Very high89.5Confident58 Ų5866.8 Ų66.838%0.37739%0.387SS..THydrogen-bonded Turntrans-55.1-25.6-173.3-3237.6000116.1D14 T324 D651 G652 E653P12-D14 VanDerWaalsContact C-N 3.25Å; P12-D14 PolarHBondContact O-N 3.41Å; P12-T324 HydrophobicContact CB-CG2 4.07Å; P12-D651 WeakPolarHBondContact CD-O 3.04Å; P12-G652 WeakPolarHBondContact CG-O 3.28Å; P12-E653 VanDerWaalsContact CD-OE1 3.31Å; P12-E653 WeakPolarHBondContact CD-OE1 3.39Å
13L98.4Very high92.1Very high0 Ų060.5 Ų60.50%036%0.362CS..THydrogen-bonded Turntrans-70-19.3177.4-73.6171.3000113.5G11 A15 Y16 R17 R320 A323 T324 V630G11-L13 PolarHBondContact O-N 3.46Å; L13-A15 PolarHBondContact O-N 2.79Å; L13-A15 VanDerWaalsContact O-N 3.16Å; L13-Y16 PolarHBondContact O-N 3.01Å; L13-R17 PolarHBondContact O-N 3.29Å; L13-R17 VanDerWaalsContact O-N 3.08Å; L13-R320 HydrophobicContact CD1-CB 4.24Å; L13-R320 HydrophobicContact CD1-CG 3.9Å; L13-R320 HydrophobicContact CD2-CB 4.25Å; L13-R320 HydrophobicContact CD2-CG 4.3Å; L13-A323 HydrophobicContact CD2-CB 3.76Å; L13-T324 HydrophobicContact CD2-CG2 3.68Å; L13-T324 HydrophobicContact CG-CG2 3.96Å; L13-V630 HydrophobicContact CB-CG1 4.25Å; L13-V630 HydrophobicContact CD2-CG1 4Å; L13-V630 HydrophobicContact CD2-CG2 4.2Å
14D98.1Very high94.2Very high34 Ų3453.1 Ų53.118%0.18233%0.326CS..Hα-helixtrans-62.7-26.4-177.9-63.9-16.9000112.4S10 G11 P12 Y16 R17 N18S10-D14 WeakPolarHBondContact CA-OD2 3.42Å; S10-D14 VanDerWaalsContact CB-OD2 3.26Å; S10-D14 WeakPolarHBondContact CB-OD2 3.33Å; S10-D14 PolarHBondContact OG-OD2 3.4Å; G11-D14 PolarHBondContact N-OD2 3.42Å; G11-D14 WeakPolarHBondContact O-CB 3.46Å; G11-D14 VanDerWaalsContact O-CG 3.3Å; G11-D14 PolarHBondContact O-N 3.41Å; P12-D14 VanDerWaalsContact C-N 3.25Å; P12-D14 PolarHBondContact O-N 3.41Å; D14-Y16 PolarHBondContact O-N 3.13Å; D14-Y16 VanDerWaalsContact O-N 3.14Å; D14-R17 PolarHBondContact O-N 3.18Å; D14-R17 IonicContact OD1-NH1 3.03Å; D14-R17 PolarHBondContact OD1-NH1 3.36Å; D14-R17 VanDerWaalsContact OD1-NH1 3.12Å; D14-N18 VanDerWaalsContact O-CB 3.3Å; D14-N18 WeakPolarHBondContact O-CB 3.39Å; D14-N18 PolarHBondContact O-N 3.25Å; D14-N18 PolarHBondContact O-ND2 3.18Å; D14-N18 VanDerWaalsContact O-ND2 3.14Å
15A97.3Very high95.7Very high59 Ų5954.4 Ų54.449%0.48833%0.329SS..Hα-helixtrans-58-25.7173.500000113.4L13 K19L13-A15 PolarHBondContact O-N 2.79Å; L13-A15 VanDerWaalsContact O-N 3.16Å; A15-K19 WeakPolarHBondContact O-CD 3.4Å; A15-K19 VanDerWaalsContact O-CE 3.22Å; A15-K19 WeakPolarHBondContact O-CE 3.47Å; A15-K19 WeakPolarHBondContact O-CG 3.5Å
16Y98Very high96.4Very high7 Ų757.9 Ų57.93%0.02734%0.344CS..Hα-helixtrans-101.8-37.7174.4-72.3-85.1000112.4L13 D14 N18 K19 A323 P337 L339 E340 V630L13-Y16 PolarHBondContact O-N 3.01Å; D14-Y16 PolarHBondContact O-N 3.13Å; D14-Y16 VanDerWaalsContact O-N 3.14Å; Y16-N18 PolarHBondContact O-N 3.48Å; Y16-K19 HydrophobicContact CD1-CD 4.37Å; Y16-K19 WeakPolarHBondContact O-CB 3.33Å; Y16-K19 PolarHBondContact O-N 3.43Å; Y16-A323 HydrophobicContact CD2-CB 3.72Å; Y16-A323 HydrophobicContact CE2-CB 3.85Å; Y16-A323 WeakPolarHBondContact CE2-O 3.29Å; Y16-A323 HydrophobicContact CG-CB 4.38Å; Y16-P337 HydrophobicContact CE2-CB 4.34Å; Y16-P337 HydrophobicContact CE2-CG 4.27Å; Y16-P337 VanDerWaalsContact OH-CB 3.3Å; Y16-P337 WeakPolarHBondContact OH-CB 3.21Å; Y16-P337 WeakPolarHBondContact OH-CG 3.34Å; Y16-L339 HydrophobicContact CD1-CD2 4.15Å; Y16-L339 HydrophobicContact CE1-CD2 3.95Å; Y16-E340 VanDerWaalsContact CE1-OE1 3.24Å; Y16-E340 WeakPolarHBondContact CE1-OE1 3.2Å; Y16-E340 WeakPolarHBondContact OH-CG 3.34Å; Y16-E340 PolarHBondContact OH-OE1 3.04Å; Y16-V630 HydrophobicContact CD2-CG2 4.46Å; Y16-V630 HydrophobicContact CG-CG2 4.01Å
17R97.8Very high97Very high28 Ų2854.1 Ų54.111%0.10631%0.312CS..Hα-helixtrans-56.5-40176-66.3174.6175.5142-0.2112.1P9 L13 D14 K19 A20 V630 D634 A650P9-R17 PolarHBondContact O-NH1 3.3Å; L13-R17 PolarHBondContact O-N 3.29Å; L13-R17 VanDerWaalsContact O-N 3.08Å; D14-R17 PolarHBondContact O-N 3.18Å; D14-R17 IonicContact OD1-NH1 3.03Å; D14-R17 PolarHBondContact OD1-NH1 3.36Å; D14-R17 VanDerWaalsContact OD1-NH1 3.12Å; R17-K19 PolarHBondContact O-N 2.89Å; R17-A20 WeakPolarHBondContact O-CB 3.42Å; R17-A20 PolarHBondContact O-N 2.84Å; R17-V630 HydrophobicContact CG-CG1 3.89Å; R17-D634 IonicContact CZ-OD2 3.77Å; R17-D634 IonicContact NE-OD2 2.67Å; R17-D634 PolarHBondContact NE-OD2 2.67Å; R17-D634 IonicContact NH2-OD1 3.14Å; R17-D634 IonicContact NH2-OD2 2.65Å; R17-D634 PolarHBondContact NH2-OD2 2.91Å; R17-A650 PolarHBondContact NH1-O 3.48Å; R17-A650 PolarHBondContact NH2-O 3.03Å
18N97.8Very high97.2Very high137 Ų13749 Ų4973%0.73329%0.285SS*.THydrogen-bonded Turntrans-70.8-11.5178.4-66.1-23.9000114D14 Y16D14-N18 VanDerWaalsContact O-CB 3.3Å; D14-N18 WeakPolarHBondContact O-CB 3.39Å; D14-N18 PolarHBondContact O-N 3.25Å; D14-N18 PolarHBondContact O-ND2 3.18Å; D14-N18 VanDerWaalsContact O-ND2 3.14Å; Y16-N18 PolarHBondContact O-N 3.48Å
19K97.8Very high97.2Very high95 Ų9551 Ų5141%0.41329%0.293SS..THydrogen-bonded Turntrans-90.6-14.2175.6-63.7176.6-179170.30112.7A15 Y16 R17 E340 N627A15-K19 WeakPolarHBondContact O-CD 3.4Å; A15-K19 VanDerWaalsContact O-CE 3.22Å; A15-K19 WeakPolarHBondContact O-CE 3.47Å; A15-K19 WeakPolarHBondContact O-CG 3.5Å; Y16-K19 HydrophobicContact CD1-CD 4.37Å; Y16-K19 WeakPolarHBondContact O-CB 3.33Å; Y16-K19 PolarHBondContact O-N 3.43Å; R17-K19 PolarHBondContact O-N 2.89Å; K19-E340 IonicContact NZ-OE1 2.74Å; K19-N627 HydrophobicContact CB-CB 4.08Å
20A97.9Very high97.3Very high23 Ų2351 Ų5119%0.1929%0.287CS..  trans-66.1137-175.600000110.8R17 F22 E628 A631R17-A20 WeakPolarHBondContact O-CB 3.42Å; R17-A20 PolarHBondContact O-N 2.84Å; A20-F22 VanDerWaalsContact C-N 3.26Å; A20-F22 PolarHBondContact O-N 3Å; A20-E628 WeakPolarHBondContact CA-OE2 3.4Å; A20-E628 WeakPolarHBondContact CB-OE2 3.44Å; A20-A631 HydrophobicContact CB-CB 3.5Å; A20-A631 VanDerWaalsContact CB-CB 3.5Å
21S97.8Very high97.2Very high80 Ų8047.4 Ų47.456%0.55926%0.26SS*.SBendtrans-83.9-1179.879.50000113.4E628S21-E628 PolarHBondContact N-OE1 3.01Å; S21-E628 VanDerWaalsContact N-OE1 3.15Å; S21-E628 PolarHBondContact N-OE2 3.16Å; S21-E628 PolarHBondContact OG-OE1 3.16Å
22F97.7Very high97.1Very high17 Ų1747 Ų478%0.07525%0.252CS..SBendtrans-137.7157.4-176.573.4-80.4000111.3A20 M27 L576 V579 E628 A631 L632 V635A20-F22 VanDerWaalsContact C-N 3.26Å; A20-F22 PolarHBondContact O-N 3Å; F22-M27 HydrophobicContact CD2-CB 3.86Å; F22-M27 HydrophobicContact CD2-CE 3.91Å; F22-M27 HydrophobicContact CD2-CG 4.48Å; F22-M27 HydrophobicContact CE2-CB 3.71Å; F22-M27 HydrophobicContact CE2-CE 3.94Å; F22-M27 HydrophobicContact CE2-CG 4.06Å; F22-M27 HydrophobicContact CG-CE 4.48Å; F22-L576 HydrophobicContact CB-CD2 3.92Å; F22-L576 HydrophobicContact CD2-CD2 4.04Å; F22-L576 HydrophobicContact CG-CD2 4.36Å; F22-V579 HydrophobicContact CB-CG1 4.44Å; F22-V579 HydrophobicContact CD1-CB 4.25Å; F22-V579 HydrophobicContact CD1-CG1 3.86Å; F22-V579 HydrophobicContact CD1-CG2 4.21Å; F22-V579 HydrophobicContact CE1-CG1 4.33Å; F22-V579 HydrophobicContact CE1-CG2 4.08Å; F22-V579 HydrophobicContact CG-CG1 4.06Å; F22-E628 WeakPolarHBondContact CD1-OE2 3.47Å; F22-E628 HydrophobicContact CE1-CB 4.09Å; F22-E628 VanDerWaalsContact CE1-OE2 3.3Å; F22-E628 WeakPolarHBondContact CE1-OE2 3.17Å; F22-A631 HydrophobicContact CE1-CB 4.15Å; F22-A631 HydrophobicContact CZ-CB 3.84Å; F22-L632 HydrophobicContact CE1-CD2 3.96Å; F22-L632 HydrophobicContact CE1-CG 4.03Å; F22-L632 HydrophobicContact CE2-CD2 4.42Å; F22-L632 HydrophobicContact CZ-CD2 3.55Å; F22-L632 HydrophobicContact CZ-CG 3.8Å; F22-V635 HydrophobicContact CE2-CG2 4.38Å
23S96.9Very high96.9Very high44 Ų4445.3 Ų45.331%0.30825%0.246SC..  trans-80.1119.1172.4173.40000110.7K25 E26 M27S23-K25 PolarHBondContact O-N 3.4Å; S23-K25 PolarHBondContact OG-N 2.78Å; S23-E26 WeakPolarHBondContact CB-OE2 3.37Å; S23-E26 PolarHBondContact O-N 3.35Å; S23-E26 VanDerWaalsContact O-N 3.17Å; S23-E26 PolarHBondContact OG-N 3.39Å; S23-M27 PolarHBondContact O-N 3.4Å
24W96.8Very high96.8Very high42 Ų4248.3 Ų48.316%0.15926%0.26CS..Hα-helixtrans-60.1-33.2174.872.5-92.7000111.8V5 L8 M27 L28 A631 V635V5-W24 HydrophobicContact CG1-CH2 3.48Å; V5-W24 VanDerWaalsContact CG1-CH2 3.48Å; V5-W24 HydrophobicContact CG1-CZ3 3.67Å; L8-W24 HydrophobicContact CD1-CD2 4.32Å; L8-W24 HydrophobicContact CD1-CH2 4.26Å; L8-W24 HydrophobicContact CD1-CZ2 3.85Å; L8-W24 HydrophobicContact CD2-CH2 4.45Å; L8-W24 HydrophobicContact CG-CH2 3.99Å; L8-W24 HydrophobicContact CG-CZ2 3.7Å; W24-M27 PolarHBondContact O-N 3.15Å; W24-L28 HydrophobicContact CE3-CD2 4.36Å; W24-L28 HydrophobicContact CZ3-CD2 3.91Å; W24-L28 VanDerWaalsContact O-CB 3.24Å; W24-L28 WeakPolarHBondContact O-CB 3.38Å; W24-L28 PolarHBondContact O-N 2.94Å; W24-A631 HydrophobicContact CB-CB 4.4Å; W24-V635 HydrophobicContact CB-CG2 3.9Å; W24-V635 WeakPolarHBondContact O-CG2 3.2Å
25K95.9Very high96.6Very high54 Ų5450.9 Ų50.924%0.23527%0.271CS..Hα-helixtrans-67.1-39.7176.4-66.8-167.9-177.9-171.10112.1V5 D7 S23 L28 H29V5-K25 PolarHBondContact O-NZ 3.26Å; V5-K25 VanDerWaalsContact O-NZ 3.12Å; D7-K25 WeakPolarHBondContact OD1-CE 3.37Å; D7-K25 IonicContact OD1-NZ 3.54Å; D7-K25 PolarHBondContact OD1-NZ 2.89Å; S23-K25 PolarHBondContact O-N 3.4Å; S23-K25 PolarHBondContact OG-N 2.78Å; K25-L28 PolarHBondContact O-N 2.81Å; K25-H29 WeakPolarHBondContact O-CB 3.37Å; K25-H29 PolarHBondContact O-N 3.33Å
26E96.3Very high96.6Very high105 Ų10548.3 Ų48.349%0.49125%0.249SC..Hα-helixtrans-68.8-41.3176.7-68.4175.1170.200111.2S23 L28 H29 F30S23-E26 WeakPolarHBondContact CB-OE2 3.37Å; S23-E26 PolarHBondContact O-N 3.35Å; S23-E26 VanDerWaalsContact O-N 3.17Å; S23-E26 PolarHBondContact OG-N 3.39Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 2.88Å; E26-H29 PolarHBondContact O-N 3Å; E26-F30 WeakPolarHBondContact O-CB 3.31Å; E26-F30 PolarHBondContact O-N 3.38Å
27M97.8Very high96.6Very high0 Ų048.6 Ų48.60%025%0.251CS..Hα-helixtrans-60.7-43.5173.2-176.569.279.100111.8F22 S23 W24 F30 I31 Y356 L576 V579 L580 V635F22-M27 HydrophobicContact CD2-CB 3.86Å; F22-M27 HydrophobicContact CD2-CE 3.91Å; F22-M27 HydrophobicContact CD2-CG 4.48Å; F22-M27 HydrophobicContact CE2-CB 3.71Å; F22-M27 HydrophobicContact CE2-CE 3.94Å; F22-M27 HydrophobicContact CE2-CG 4.06Å; F22-M27 HydrophobicContact CG-CE 4.48Å; S23-M27 PolarHBondContact O-N 3.4Å; W24-M27 PolarHBondContact O-N 3.15Å; M27-F30 PolarHBondContact O-N 3.22Å; M27-F30 HydrophobicContact SD-CD1 4.4Å; M27-I31 HydrophobicContact CG-CD1 4.08Å; M27-I31 WeakPolarHBondContact O-CG1 3.35Å; M27-I31 PolarHBondContact O-N 3Å; M27-I31 HydrophobicContact SD-CD1 4.32Å; M27-Y356 HydrophobicContact CG-CE1 4.12Å; M27-Y356 HydrophobicContact SD-CE1 4.16Å; M27-L576 HydrophobicContact CB-CD1 4.42Å; M27-L576 HydrophobicContact CB-CD2 4.18Å; M27-L576 HydrophobicContact CE-CB 4.11Å; M27-L576 HydrophobicContact CE-CD1 4.43Å; M27-L576 HydrophobicContact CE-CD2 3.92Å; M27-L576 HydrophobicContact CE-CG 4.37Å; M27-L576 HydrophobicContact SD-CD1 4Å; M27-L576 HydrophobicContact SD-CD2 4.43Å; M27-V579 HydrophobicContact CE-CG1 3.56Å; M27-L580 HydrophobicContact CE-CD1 4.33Å; M27-L580 HydrophobicContact CE-CD2 3.88Å; M27-L580 HydrophobicContact CE-CG 3.9Å; M27-L580 HydrophobicContact SD-CD1 4.27Å; M27-L580 HydrophobicContact SD-CD2 3.92Å; M27-L580 HydrophobicContact SD-CG 4.28Å; M27-V635 HydrophobicContact CB-CG2 3.83Å; M27-V635 HydrophobicContact CG-CG1 4.02Å; M27-V635 HydrophobicContact CG-CG2 3.81Å
28L96Very high96.5Very high20 Ų2051.9 Ų51.911%0.10527%0.268CS..Hα-helixtrans-61.7-44.9176.6179.560.4000111.4V5 W24 K25 E26 F30 I31 D32 L37 V635V5-L28 HydrophobicContact CG1-CD2 4.01Å; V5-L28 HydrophobicContact CG2-CD2 4.17Å; W24-L28 HydrophobicContact CE3-CD2 4.36Å; W24-L28 HydrophobicContact CZ3-CD2 3.91Å; W24-L28 VanDerWaalsContact O-CB 3.24Å; W24-L28 WeakPolarHBondContact O-CB 3.38Å; W24-L28 PolarHBondContact O-N 2.94Å; K25-L28 PolarHBondContact O-N 2.81Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 2.88Å; L28-F30 PolarHBondContact O-N 3.5Å; L28-I31 PolarHBondContact O-N 3.05Å; L28-D32 PolarHBondContact O-N 3.18Å; L28-L37 HydrophobicContact CD1-CD2 3.63Å; L28-L37 HydrophobicContact CD2-CD2 3.93Å; L28-L37 HydrophobicContact CG-CD1 4.2Å; L28-L37 HydrophobicContact CG-CD2 3.53Å; L28-V635 HydrophobicContact CB-CG1 4.13Å; L28-V635 HydrophobicContact CD1-CG1 4.2Å
29H95.9Very high96.5Very high87 Ų8746.2 Ų46.240%0.40324%0.236SC..Hα-helixtrans-64-38.6174.9-172.588.4000112.6K25 E26 I31 G33 E34 L37K25-H29 WeakPolarHBondContact O-CB 3.37Å; K25-H29 PolarHBondContact O-N 3.33Å; E26-H29 PolarHBondContact O-N 3Å; H29-I31 PolarHBondContact O-N 3.05Å; H29-G33 WeakPolarHBondContact O-CA 3.19Å; H29-G33 PolarHBondContact O-N 3.26Å; H29-E34 IonicContact CE1-OE2 3.77Å; H29-E34 IonicContact ND1-OE2 3.76Å; H29-L37 HydrophobicContact CB-CD1 4.41Å
30F96.5Very high96.4Very high60 Ų6042.8 Ų42.826%0.26322%0.221SC..Hα-helixtrans-62.6-40.8175.8172.6-107.8000112.4E26 M27 L28 L566 M572 P573 L576 L580E26-F30 WeakPolarHBondContact O-CB 3.31Å; E26-F30 PolarHBondContact O-N 3.38Å; M27-F30 PolarHBondContact O-N 3.22Å; M27-F30 HydrophobicContact SD-CD1 4.4Å; L28-F30 PolarHBondContact O-N 3.5Å; F30-L566 HydrophobicContact CE1-CD1 4.39Å; F30-L566 HydrophobicContact CE1-CD2 4.21Å; F30-L566 HydrophobicContact CZ-CD1 3.75Å; F30-L566 HydrophobicContact CZ-CD2 4.37Å; F30-L566 HydrophobicContact CZ-CG 4.22Å; F30-M572 HydrophobicContact CD1-CE 4.2Å; F30-M572 HydrophobicContact CD2-CE 4.04Å; F30-M572 HydrophobicContact CE1-CE 3.64Å; F30-M572 HydrophobicContact CE1-SD 4.18Å; F30-M572 HydrophobicContact CE2-CE 3.46Å; F30-M572 VanDerWaalsContact CE2-CE 3.46Å; F30-M572 HydrophobicContact CE2-SD 4.35Å; F30-M572 HydrophobicContact CG-CE 4.37Å; F30-M572 HydrophobicContact CZ-CE 3.22Å; F30-M572 HydrophobicContact CZ-SD 3.68Å; F30-P573 HydrophobicContact CD2-CG 3.88Å; F30-P573 HydrophobicContact CE2-CG 4.22Å; F30-L576 HydrophobicContact CB-CD1 3.67Å; F30-L576 HydrophobicContact CD1-CD1 4.09Å; F30-L576 HydrophobicContact CG-CD1 3.88Å; F30-L580 HydrophobicContact CD1-CD1 4.4Å; F30-L580 HydrophobicContact CE1-CD1 3.87Å
31I95.6Very high96.4Very high25 Ų2546 Ų4613%0.12823%0.233CC..Hα-helixtrans-74-50-178-69.3171.7000111.8M27 L28 H29 Y356 E359 K363 V635M27-I31 HydrophobicContact CG-CD1 4.08Å; M27-I31 WeakPolarHBondContact O-CG1 3.35Å; M27-I31 PolarHBondContact O-N 3Å; M27-I31 HydrophobicContact SD-CD1 4.32Å; L28-I31 PolarHBondContact O-N 3.05Å; H29-I31 PolarHBondContact O-N 3.05Å; I31-Y356 HydrophobicContact CD1-CD1 4.14Å; I31-Y356 HydrophobicContact CD1-CE1 3.72Å; I31-E359 HydrophobicContact CG2-CG 3.9Å; I31-K363 PolarHBondContact O-NZ 3.29Å; I31-V635 HydrophobicContact CD1-CG1 3.81Å
32D94.9Very high96.3Very high11 Ų1147 Ų476%0.05923%0.228CC..Hα-helixtrans-96.4-35.5-170.5-77.1-33.4000113L28 I36 L37 K40L28-D32 PolarHBondContact O-N 3.18Å; D32-I36 HydrophobicContact CB-CB 4.05Å; D32-I36 HydrophobicContact CB-CG2 3.83Å; D32-I36 WeakPolarHBondContact O-CB 3.35Å; D32-I36 VanDerWaalsContact O-CG1 3.22Å; D32-I36 WeakPolarHBondContact O-CG1 3.36Å; D32-L37 HydrophobicContact CB-CD2 3.66Å; D32-L37 HydrophobicContact CB-CG 3.81Å; D32-L37 WeakPolarHBondContact OD2-CD2 3.18Å; D32-K40 IonicContact OD1-NZ 2.65Å; D32-K40 PolarHBondContact OD1-NZ 3.1Å; D32-K40 IonicContact OD2-NZ 3.88Å; D32-K40 PolarHBondContact OD2-NZ 2.87Å
33G94.9Very high96.3Very high24 Ų2446.2 Ų46.225%0.24722%0.224CC..  trans73161.5-166.500000112.6H29 E35 I36 L37H29-G33 WeakPolarHBondContact O-CA 3.19Å; H29-G33 PolarHBondContact O-N 3.26Å; G33-E35 PolarHBondContact O-N 3.34Å; G33-I36 PolarHBondContact O-N 3.05Å; G33-L37 VanDerWaalsContact O-CG 3.31Å; G33-L37 WeakPolarHBondContact O-CG 3.4Å; G33-L37 PolarHBondContact O-N 3.31Å; G33-L37 VanDerWaalsContact O-N 3.14Å
34E94.8Very high96.4Very high62 Ų6245 Ų4529%0.2921%0.214SC..Hα-helixtrans-57-46-173.9-170.963-158.100113.5V4 H29 I36 L37 Q38V4-E34 WeakPolarHBondContact CG2-OE1 3.28Å; H29-E34 IonicContact CE1-OE2 3.77Å; H29-E34 IonicContact ND1-OE2 3.76Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.26Å; E34-L37 PolarHBondContact O-N 2.81Å; E34-Q38 WeakPolarHBondContact O-CG 3.03Å; E34-Q38 PolarHBondContact O-N 3.38Å; E34-Q38 PolarHBondContact OE1-NE2 2.95Å
35E95.4Very high96.4Very high88 Ų8848.1 Ų48.141%0.41123%0.229SC..Hα-helixtrans-60.1-43.7-176.4-173.8-168.7-177.900112G33 F39 N91 K94G33-E35 PolarHBondContact O-N 3.34Å; E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 3.07Å; E35-F39 VanDerWaalsContact O-N 3.08Å; E35-N91 PolarHBondContact OE2-ND2 3.43Å; E35-K94 WeakPolarHBondContact OE1-CE 3.36Å; E35-K94 IonicContact OE1-NZ 3.9Å; E35-K94 PolarHBondContact OE1-NZ 3.25Å
36I96.9Very high96.5Very high6 Ų646.8 Ų46.83%0.03123%0.226CC..Hα-helixtrans-72.2-37.9-179-62.5-57000110.6D32 G33 E34 F39 K40 K94 I97D32-I36 HydrophobicContact CB-CB 4.05Å; D32-I36 HydrophobicContact CB-CG2 3.83Å; D32-I36 WeakPolarHBondContact O-CB 3.35Å; D32-I36 VanDerWaalsContact O-CG1 3.22Å; D32-I36 WeakPolarHBondContact O-CG1 3.36Å; G33-I36 PolarHBondContact O-N 3.05Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.26Å; I36-F39 PolarHBondContact O-N 2.62Å; I36-K40 HydrophobicContact CG2-CD 4.3Å; I36-K40 HydrophobicContact CG2-CG 4.36Å; I36-K40 WeakPolarHBondContact O-CG 3.4Å; I36-K40 PolarHBondContact O-N 3.48Å; I36-K94 HydrophobicContact CD1-CG 3.87Å; I36-I97 HydrophobicContact CD1-CG1 4.34Å; I36-I97 HydrophobicContact CG2-CD1 4.14Å; I36-I97 HydrophobicContact CG2-CG1 3.82Å; I36-I97 HydrophobicContact CG2-CG2 4.03Å
37L96.6Very high96.5Very high13 Ų1341.8 Ų41.87%0.06820%0.202CC..Hα-helixtrans-62.4-44.2176.1-68.3176.6000112.1V4 V5 L28 H29 D32 G33 E34 F39 K40 H41V4-L37 HydrophobicContact CG1-CB 4.3Å; V5-L37 HydrophobicContact CG2-CD1 4.15Å; L28-L37 HydrophobicContact CD1-CD2 3.63Å; L28-L37 HydrophobicContact CD2-CD2 3.93Å; L28-L37 HydrophobicContact CG-CD1 4.2Å; L28-L37 HydrophobicContact CG-CD2 3.53Å; H29-L37 HydrophobicContact CB-CD1 4.41Å; D32-L37 HydrophobicContact CB-CD2 3.66Å; D32-L37 HydrophobicContact CB-CG 3.81Å; D32-L37 WeakPolarHBondContact OD2-CD2 3.18Å; G33-L37 VanDerWaalsContact O-CG 3.31Å; G33-L37 WeakPolarHBondContact O-CG 3.4Å; G33-L37 PolarHBondContact O-N 3.31Å; G33-L37 VanDerWaalsContact O-N 3.14Å; E34-L37 PolarHBondContact O-N 2.81Å; L37-F39 VanDerWaalsContact C-N 3.3Å; L37-F39 PolarHBondContact O-N 2.65Å; L37-K40 PolarHBondContact O-N 3.39Å; L37-H41 WeakPolarHBondContact O-CB 3.36Å; L37-H41 PolarHBondContact O-N 2.79Å
38Q96Very high96.5Very high97 Ų9745.3 Ų45.345%0.45322%0.219SC..Hα-helixtrans-61.1-41.6174.4-70.1177.35.200111.5V4 E34 H41 H42V4-Q38 HydrophobicContact CB-CG 4.36Å; V4-Q38 HydrophobicContact CG1-CB 4.41Å; V4-Q38 HydrophobicContact CG1-CG 3.59Å; V4-Q38 HydrophobicContact CG2-CG 3.82Å; E34-Q38 WeakPolarHBondContact O-CG 3.03Å; E34-Q38 PolarHBondContact O-N 3.38Å; E34-Q38 PolarHBondContact OE1-NE2 2.95Å; Q38-H41 PolarHBondContact O-N 2.91Å; Q38-H42 WeakPolarHBondContact O-CB 3.49Å; Q38-H42 PolarHBondContact O-N 3.12Å
39F97.4Very high96.5Very high17 Ų1750 Ų508%0.07524%0.244CC..Hα-helixtrans-65.3-47.2178-176.3-116.2000112.5E35 I36 L37 H41 H42 V43 F82 L83 K94 I97 L98E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 3.07Å; E35-F39 VanDerWaalsContact O-N 3.08Å; I36-F39 PolarHBondContact O-N 2.62Å; L37-F39 VanDerWaalsContact C-N 3.3Å; L37-F39 PolarHBondContact O-N 2.65Å; F39-H41 VanDerWaalsContact C-N 3.32Å; F39-H41 PolarHBondContact O-N 2.91Å; F39-H42 PolarHBondContact O-N 2.82Å; F39-V43 HydrophobicContact CD2-CG2 4.46Å; F39-V43 HydrophobicContact CE1-CG2 4.22Å; F39-V43 HydrophobicContact CE2-CG2 4.04Å; F39-V43 HydrophobicContact CZ-CG2 3.9Å; F39-V43 WeakPolarHBondContact O-CG2 3.2Å; F39-V43 PolarHBondContact O-N 3.39Å; F39-F82 HydrophobicContact CE2-CB 4.25Å; F39-F82 HydrophobicContact CZ-CB 4.31Å; F39-L83 HydrophobicContact CE1-CD1 4.41Å; F39-L83 HydrophobicContact CE1-CD2 4.34Å; F39-L83 HydrophobicContact CE2-CD2 3.68Å; F39-L83 HydrophobicContact CE2-CG 4.1Å; F39-L83 HydrophobicContact CZ-CD1 3.94Å; F39-L83 HydrophobicContact CZ-CD2 3.59Å; F39-L83 HydrophobicContact CZ-CG 3.66Å; F39-K94 HydrophobicContact CD1-CB 4.36Å; F39-K94 HydrophobicContact CD1-CG 4.17Å; F39-K94 HydrophobicContact CE1-CB 4.2Å; F39-K94 HydrophobicContact CE1-CG 4.49Å; F39-K94 WeakPolarHBondContact CE1-O 3.4Å; F39-K94 HydrophobicContact CG-CG 4.45Å; F39-I97 HydrophobicContact CD1-CB 4.38Å; F39-I97 HydrophobicContact CD1-CG2 3.83Å; F39-I97 HydrophobicContact CE1-CG2 4.23Å; F39-L98 HydrophobicContact CE1-CB 3.93Å; F39-L98 HydrophobicContact CZ-CB 4.01Å; F39-L98 HydrophobicContact CZ-CD1 4.28Å
40K97.3Very high96.6Very high23 Ų2347.3 Ų47.310%0.123%0.233CC..Hα-helixtrans-56.9-46.2174.3-71.4-177.5178.81770111.4D32 I36 L37 H42 V43 F44 I97D32-K40 IonicContact OD1-NZ 2.65Å; D32-K40 PolarHBondContact OD1-NZ 3.1Å; D32-K40 IonicContact OD2-NZ 3.88Å; D32-K40 PolarHBondContact OD2-NZ 2.87Å; I36-K40 HydrophobicContact CG2-CD 4.3Å; I36-K40 HydrophobicContact CG2-CG 4.36Å; I36-K40 WeakPolarHBondContact O-CG 3.4Å; I36-K40 PolarHBondContact O-N 3.48Å; L37-K40 PolarHBondContact O-N 3.39Å; K40-H42 VanDerWaalsContact C-N 3.35Å; K40-H42 PolarHBondContact O-N 2.92Å; K40-V43 PolarHBondContact O-N 2.89Å; K40-F44 HydrophobicContact CB-CE2 4.28Å; K40-F44 WeakPolarHBondContact O-CD2 3.45Å; K40-F44 WeakPolarHBondContact O-CG 3.02Å; K40-F44 PolarHBondContact O-N 2.8Å; K40-I97 HydrophobicContact CD-CG2 4.22Å; K40-I97 HydrophobicContact CG-CG2 3.5Å; K40-I97 VanDerWaalsContact CG-CG2 3.5Å
41H96.2Very high96.7Very high92 Ų9249.7 Ų49.743%0.42625%0.254SS..Hα-helixtrans-60.1-44.8177.4-176.874.1000111.7L37 Q38 F39 V43 K45L37-H41 WeakPolarHBondContact O-CB 3.36Å; L37-H41 PolarHBondContact O-N 2.79Å; Q38-H41 PolarHBondContact O-N 2.91Å; F39-H41 VanDerWaalsContact C-N 3.32Å; F39-H41 PolarHBondContact O-N 2.91Å; H41-V43 PolarHBondContact O-N 3.08Å; H41-K45 WeakPolarHBondContact O-CB 3.47Å; H41-K45 PolarHBondContact O-N 3.34Å
42H97Very high96.8Very high100 Ų10050 Ų5046%0.46326%0.257SS..Hα-helixtrans-60.2-45.5177.1176.462.2000112.3Q38 F39 K40 S46 F82Q38-H42 WeakPolarHBondContact O-CB 3.49Å; Q38-H42 PolarHBondContact O-N 3.12Å; F39-H42 PolarHBondContact O-N 2.82Å; K40-H42 VanDerWaalsContact C-N 3.35Å; K40-H42 PolarHBondContact O-N 2.92Å; H42-S46 WeakPolarHBondContact O-CB 3.18Å; H42-S46 PolarHBondContact O-N 3.22Å; H42-S46 PolarHBondContact O-OG 2.82Å; H42-F82 AromaticContact CD2-CD1 3.75Å; H42-F82 AromaticContact CD2-CE1 3.99Å; H42-F82 AromaticContact NE2-CD1 3.64Å; H42-F82 AromaticContact NE2-CE1 3.78Å
43V98.1Very high96.9Very high0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-63.3-54.7178176.30000110.3F39 K40 H41 K45 S46 L47 F82 L98 C101F39-V43 HydrophobicContact CD2-CG2 4.46Å; F39-V43 HydrophobicContact CE1-CG2 4.22Å; F39-V43 HydrophobicContact CE2-CG2 4.04Å; F39-V43 HydrophobicContact CZ-CG2 3.9Å; F39-V43 WeakPolarHBondContact O-CG2 3.2Å; F39-V43 PolarHBondContact O-N 3.39Å; K40-V43 PolarHBondContact O-N 2.89Å; H41-V43 PolarHBondContact O-N 3.08Å; V43-K45 PolarHBondContact O-N 2.86Å; V43-S46 WeakPolarHBondContact O-CB 3.19Å; V43-S46 PolarHBondContact O-N 2.8Å; V43-S46 VanDerWaalsContact O-N 3.09Å; V43-L47 WeakPolarHBondContact O-CG 3.43Å; V43-L47 PolarHBondContact O-N 2.69Å; V43-F82 HydrophobicContact CG1-CE2 4.28Å; V43-F82 HydrophobicContact CG1-CZ 4.33Å; V43-F82 HydrophobicContact CG2-CD1 4.04Å; V43-F82 HydrophobicContact CG2-CD2 4.45Å; V43-F82 HydrophobicContact CG2-CE1 4.26Å; V43-F82 HydrophobicContact CG2-CG 4.15Å; V43-L98 HydrophobicContact CG1-CD1 4.17Å; V43-L98 HydrophobicContact CG2-CD1 3.9Å; V43-C101 HydrophobicContact CB-CB 4.25Å; V43-C101 HydrophobicContact CG1-CB 3.67Å
44F97.3Very high96.9Very high19 Ų1951.2 Ų51.28%0.08327%0.267CS..Hα-helixtrans-58.8-46.1-178.2-66.7-33000112.7K40 S46 L47 E48 C101 M104 P638 I642K40-F44 HydrophobicContact CB-CE2 4.28Å; K40-F44 WeakPolarHBondContact O-CD2 3.45Å; K40-F44 WeakPolarHBondContact O-CG 3.02Å; K40-F44 PolarHBondContact O-N 2.8Å; F44-S46 VanDerWaalsContact C-N 3.25Å; F44-S46 PolarHBondContact O-N 2.95Å; F44-L47 PolarHBondContact O-N 3.23Å; F44-L47 VanDerWaalsContact O-N 3.16Å; F44-E48 WeakPolarHBondContact O-CB 3.34Å; F44-E48 WeakPolarHBondContact O-CG 3.4Å; F44-E48 PolarHBondContact O-N 3.44Å; F44-C101 HydrophobicContact CD1-CB 4.15Å; F44-C101 HydrophobicContact CE1-CB 3.57Å; F44-C101 VanDerWaalsContact CE1-SG 3.53Å; F44-C101 HydrophobicContact CZ-CB 4.11Å; F44-C101 WeakPolarHBondContact CZ-SG 3.19Å; F44-M104 HydrophobicContact CZ-SD 3.93Å; F44-P638 HydrophobicContact CE1-CB 4.48Å; F44-P638 HydrophobicContact CE2-CB 4.09Å; F44-P638 HydrophobicContact CZ-CB 3.85Å; F44-I642 HydrophobicContact CB-CG1 4.42Å; F44-I642 HydrophobicContact CD1-CD1 3.65Å; F44-I642 HydrophobicContact CD1-CG1 3.55Å; F44-I642 HydrophobicContact CE1-CD1 4.12Å; F44-I642 HydrophobicContact CE1-CG1 3.9Å; F44-I642 HydrophobicContact CE1-CG2 4.04Å; F44-I642 HydrophobicContact CG-CD1 4.45Å; F44-I642 HydrophobicContact CG-CG1 4.05Å
45K96.8Very high96.7Very high108 Ų10850 Ų5047%0.4726%0.259SS..Hα-helixtrans-63-33.4177.7-172.6169.7-175.1174.80112.3H41 V43 N49H41-K45 WeakPolarHBondContact O-CB 3.47Å; H41-K45 PolarHBondContact O-N 3.34Å; V43-K45 PolarHBondContact O-N 2.86Å; K45-N49 VanDerWaalsContact CG-ND2 3.31Å; K45-N49 WeakPolarHBondContact CG-ND2 3.27Å; K45-N49 WeakPolarHBondContact O-CB 3.46Å; K45-N49 PolarHBondContact O-N 3.33Å; K45-N49 PolarHBondContact O-ND2 3.14Å
46S97.9Very high96.4Very high25 Ų2551.1 Ų51.118%0.17527%0.265CS..Hα-helixtrans-68.1-41.7175.6-60.30000111.4H42 V43 F44 D50H42-S46 WeakPolarHBondContact O-CB 3.18Å; H42-S46 PolarHBondContact O-N 3.22Å; H42-S46 PolarHBondContact O-OG 2.82Å; V43-S46 WeakPolarHBondContact O-CB 3.19Å; V43-S46 PolarHBondContact O-N 2.8Å; V43-S46 VanDerWaalsContact O-N 3.09Å; F44-S46 VanDerWaalsContact C-N 3.25Å; F44-S46 PolarHBondContact O-N 2.95Å; S46-D50 PolarHBondContact O-N 3.26Å
47L98.1Very high96.2Very high0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-65.7-44.6175.1-55.7-174.1000111.7V43 F44 N49 D50 F53 L102 Y105 F641 I642V43-L47 WeakPolarHBondContact O-CG 3.43Å; V43-L47 PolarHBondContact O-N 2.69Å; F44-L47 PolarHBondContact O-N 3.23Å; F44-L47 VanDerWaalsContact O-N 3.16Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 2.94Å; L47-D50 PolarHBondContact O-N 3.25Å; L47-F53 HydrophobicContact CB-CB 4.34Å; L47-F53 HydrophobicContact CB-CG 4.27Å; L47-F53 HydrophobicContact CD2-CD1 3.81Å; L47-F53 HydrophobicContact CD2-CD2 4.02Å; L47-F53 HydrophobicContact CD2-CE1 3.62Å; L47-F53 HydrophobicContact CD2-CE2 3.84Å; L47-F53 HydrophobicContact CD2-CG 4Å; L47-F53 HydrophobicContact CD2-CZ 3.65Å; L47-F53 WeakPolarHBondContact O-CB 3.48Å; L47-L102 HydrophobicContact CD1-CD2 4.17Å; L47-L102 HydrophobicContact CD2-CD2 4.3Å; L47-Y105 HydrophobicContact CD1-CG 4.33Å; L47-F641 HydrophobicContact CB-CE1 4.1Å; L47-I642 HydrophobicContact CD1-CD1 4.03Å
48E96.4Very high95.8Very high75 Ų7553.4 Ų53.435%0.3529%0.287SS..Hα-helixtrans-60.4-35.4-179.9-77.6171.8-175.300113.3F44 T639 F641F44-E48 WeakPolarHBondContact O-CB 3.34Å; F44-E48 WeakPolarHBondContact O-CG 3.4Å; F44-E48 PolarHBondContact O-N 3.44Å; E48-T639 WeakPolarHBondContact OE1-CB 3.27Å; E48-T639 WeakPolarHBondContact OE1-CG2 3.48Å; E48-T639 PolarHBondContact OE1-OG1 3.12Å; E48-F641 HydrophobicContact CB-CD1 4.32Å; E48-F641 HydrophobicContact CB-CE1 4.48Å; E48-F641 HydrophobicContact CG-CB 3.78Å; E48-F641 HydrophobicContact CG-CD1 3.28Å; E48-F641 HydrophobicContact CG-CD2 4.27Å; E48-F641 HydrophobicContact CG-CE1 3.85Å; E48-F641 HydrophobicContact CG-CG 3.52Å
49N97.1Very high95.4Very high119 Ų11952.1 Ų52.164%0.63628%0.281SS*.Hα-helixtrans-88.9-6-176.9-71.8-54000114.1K45 L47K45-N49 VanDerWaalsContact CG-ND2 3.31Å; K45-N49 WeakPolarHBondContact CG-ND2 3.27Å; K45-N49 WeakPolarHBondContact O-CB 3.46Å; K45-N49 PolarHBondContact O-N 3.33Å; K45-N49 PolarHBondContact O-ND2 3.14Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 2.94Å
50D98.1Very high94.9Very high30 Ų3058.8 Ų58.816%0.1632%0.318CS..  trans-104.3117.5179.9-171.7-35.7000111.4S46 L47 V52 F53 Q76 Y80S46-D50 PolarHBondContact O-N 3.26Å; L47-D50 PolarHBondContact O-N 3.25Å; D50-V52 PolarHBondContact O-N 3.01Å; D50-V52 VanDerWaalsContact OD1-CG1 3.25Å; D50-V52 WeakPolarHBondContact OD1-CG1 3.16Å; D50-V52 PolarHBondContact OD1-N 3.47Å; D50-F53 HydrophobicContact CB-CD2 3.93Å; D50-F53 HydrophobicContact CB-CE2 4.42Å; D50-F53 PolarHBondContact O-N 2.83Å; D50-Q76 WeakPolarHBondContact OD2-CG 3.4Å; D50-Q76 PolarHBondContact OD2-NE2 2.65Å; D50-Y80 WeakPolarHBondContact CB-OH 3.34Å; D50-Y80 PolarHBondContact OD2-OH 2.94Å
51P97.4Very high94.7Very high110 Ų11060 Ų6071%0.71433%0.325SS*.G310 helixtrans-55-22.9-178.7-27.235000115.4F53 A54P51-F53 PolarHBondContact O-N 2.92Å; P51-A54 WeakPolarHBondContact O-CB 3.24Å; P51-A54 PolarHBondContact O-N 2.89Å
52V97.5Very high94.6Very high30 Ų3059.2 Ų59.218%0.18233%0.33CS..G310 helixtrans-68.5-21.7177.881.60000112.5D50 L72 R73 Q76D50-V52 PolarHBondContact O-N 3.01Å; D50-V52 VanDerWaalsContact OD1-CG1 3.25Å; D50-V52 WeakPolarHBondContact OD1-CG1 3.16Å; D50-V52 PolarHBondContact OD1-N 3.47Å; V52-L72 HydrophobicContact CG2-CB 3.93Å; V52-R73 HydrophobicContact CG1-CG 4.1Å; V52-R73 HydrophobicContact CG2-CG 4.09Å; V52-R73 PolarHBondContact O-NE 3.35Å; V52-R73 PolarHBondContact O-NH2 3.03Å; V52-Q76 HydrophobicContact CG1-CB 4.32Å; V52-Q76 HydrophobicContact CG1-CG 4.35Å
53F97.8Very high94.5Very high0 Ų056.3 Ų56.30%032%0.319CS..G310 helixtrans-98.1-1.3175.3-61.4-87000113L47 D50 P51 R55 R73 Q76 L77 Y80 Y105 L109 F641L47-F53 HydrophobicContact CB-CB 4.34Å; L47-F53 HydrophobicContact CB-CG 4.27Å; L47-F53 HydrophobicContact CD2-CD1 3.81Å; L47-F53 HydrophobicContact CD2-CD2 4.02Å; L47-F53 HydrophobicContact CD2-CE1 3.62Å; L47-F53 HydrophobicContact CD2-CE2 3.84Å; L47-F53 HydrophobicContact CD2-CG 4Å; L47-F53 HydrophobicContact CD2-CZ 3.65Å; L47-F53 WeakPolarHBondContact O-CB 3.48Å; D50-F53 HydrophobicContact CB-CD2 3.93Å; D50-F53 HydrophobicContact CB-CE2 4.42Å; D50-F53 PolarHBondContact O-N 2.83Å; P51-F53 PolarHBondContact O-N 2.92Å; F53-R55 PolarHBondContact O-N 2.82Å; F53-R73 HydrophobicContact CD1-CB 4.36Å; F53-R73 HydrophobicContact CD1-CG 3.82Å; F53-R73 HydrophobicContact CE1-CB 3.65Å; F53-R73 HydrophobicContact CE1-CG 3.6Å; F53-R73 HydrophobicContact CG-CG 4.4Å; F53-R73 HydrophobicContact CZ-CB 3.91Å; F53-R73 HydrophobicContact CZ-CG 4.03Å; F53-Q76 HydrophobicContact CE2-CB 4.17Å; F53-Q76 HydrophobicContact CE2-CG 4Å; F53-Q76 HydrophobicContact CZ-CB 4.33Å; F53-L77 HydrophobicContact CZ-CD2 4.22Å; F53-Y80 AromaticContact CE2-CE2 3.88Å; F53-Y80 HydrophobicContact CE2-CE2 3.88Å; F53-Y80 HydrophobicContact CZ-CE2 4.35Å; F53-Y105 WeakPolarHBondContact CA-OH 3.36Å; F53-Y105 HydrophobicContact CB-CE2 4.24Å; F53-Y105 HydrophobicContact CD1-CD1 4.41Å; F53-Y105 AromaticContact CD1-CE1 3.88Å; F53-Y105 HydrophobicContact CD1-CE1 3.88Å; F53-Y105 AromaticContact CD1-CZ 3.97Å; F53-Y105 WeakPolarHBondContact O-CE2 3.45Å; F53-Y105 PolarHBondContact O-OH 2.84Å; F53-L109 HydrophobicContact CD1-CD2 4.42Å; F53-L109 HydrophobicContact CE1-CD2 3.73Å; F53-F641 HydrophobicContact CB-CZ 4.22Å; F53-F641 VanDerWaalsContact O-CZ 3.26Å; F53-F641 WeakPolarHBondContact O-CZ 3.47Å
54A94.5Very high94.4Very high62 Ų6260.9 Ų60.951%0.51234%0.341SS..  trans-60.7132.2172.300000110P51P51-A54 WeakPolarHBondContact O-CB 3.24Å; P51-A54 PolarHBondContact O-N 2.89Å
55R91.1Very high94.4Very high36 Ų3663.7 Ų63.714%0.13635%0.353CS..  trans-145149.9177.862.7-179.7179.1-176.9-1.9110.9F53 E59 Y105 I642F53-R55 PolarHBondContact O-N 2.82Å; R55-E59 WeakPolarHBondContact CA-OE2 3.39Å; R55-Y105 HydrophobicContact CG-CE2 4.33Å; R55-Y105 VanDerWaalsContact CZ-O 3.3Å; R55-Y105 PolarHBondContact NH1-O 3.26Å; R55-Y105 PolarHBondContact NH2-O 3.35Å; R55-Y105 VanDerWaalsContact NH2-O 3.1Å; R55-I642 PolarHBondContact NH2-O 2.92Å
56Q89.6Confident94.3Very high112 Ų11261.7 Ų61.752%0.52334%0.344SS..  trans-102137.3174.5-69-67.2-21.900109.8G58 E59Q56-G58 PolarHBondContact O-N 3.14Å; Q56-G58 VanDerWaalsContact O-N 3.14Å; Q56-E59 HydrophobicContact CB-CB 4.44Å; Q56-E59 PolarHBondContact N-OE2 2.88Å; Q56-E59 VanDerWaalsContact N-OE2 3.09Å; Q56-E59 WeakPolarHBondContact O-CB 3.35Å; Q56-E59 WeakPolarHBondContact O-CG 3.42Å; Q56-E59 PolarHBondContact O-N 3.3Å; Q56-E59 VanDerWaalsContact O-N 3.1Å
57P92.6Very high94.2Very high27 Ų2761.3 Ų61.318%0.17534%0.339CS..THydrogen-bonded Turntrans-56.7122.1174.6-17.824.8000110.9M426 N644 T661P57-M426 HydrophobicContact CB-CB 4.01Å; P57-M426 WeakPolarHBondContact CB-O 3.44Å; P57-N644 VanDerWaalsContact CG-OD1 3.3Å; P57-N644 WeakPolarHBondContact CG-OD1 3.46Å; P57-T661 HydrophobicContact CB-CG2 3.83Å; P57-T661 HydrophobicContact CG-CG2 3.95Å
58G86.8Confident94.2Very high39 Ų3965.8 Ų65.840%0.40236%0.36SS..THydrogen-bonded Turntrans79.819.7179.100000114.7Q56 D60Q56-G58 PolarHBondContact O-N 3.14Å; Q56-G58 VanDerWaalsContact O-N 3.14Å; G58-D60 PolarHBondContact O-N 3.18Å
59E88Confident94.2Very high70 Ų7063.9 Ų63.933%0.32735%0.352SS..  trans-55.8122.8174.363.3-178.1-155.900112.6R55 Q56R55-E59 WeakPolarHBondContact CA-OE2 3.39Å; Q56-E59 HydrophobicContact CB-CB 4.44Å; Q56-E59 PolarHBondContact N-OE2 2.88Å; Q56-E59 VanDerWaalsContact N-OE2 3.09Å; Q56-E59 WeakPolarHBondContact O-CB 3.35Å; Q56-E59 WeakPolarHBondContact O-CG 3.42Å; Q56-E59 PolarHBondContact O-N 3.3Å; Q56-E59 VanDerWaalsContact O-N 3.1Å
60D87.8Confident94.2Very high157 Ų15758.3 Ų58.384%0.8432%0.322SS*.  trans-104.879.2175.8-169.421.4000110.5G58G58-D60 PolarHBondContact O-N 3.18Å
61I92Very high94.2Very high48 Ų4860.3 Ų60.325%0.24633%0.329CS..  trans-98.4151.4173.955.7162.6000111.2K65 K66 L69I61-K65 HydrophobicContact CB-CB 4.41Å; I61-K65 HydrophobicContact CB-CG 4.47Å; I61-K65 HydrophobicContact CD1-CB 4.4Å; I61-K65 HydrophobicContact CD1-CG 4.16Å; I61-K66 HydrophobicContact CD1-CB 4.43Å; I61-K66 HydrophobicContact CD1-CG 3.55Å; I61-K66 HydrophobicContact CG1-CD 4.28Å; I61-K66 HydrophobicContact CG1-CG 3.58Å; I61-K66 VanDerWaalsContact O-CE 3.3Å; I61-K66 WeakPolarHBondContact O-CE 3.48Å; I61-L69 HydrophobicContact CD1-CD1 3.67Å
62S95.2Very high94.2Very high76 Ų7658.3 Ų58.353%0.53131%0.312SS..  trans-58.2152.4178.773.40000112.5E64 K65 K66S62-E64 PolarHBondContact O-N 3.23Å; S62-K65 PolarHBondContact O-N 2.52Å; S62-K65 PolarHBondContact OG-N 3.14Å; S62-K66 PolarHBondContact O-N 3.41Å
63V95.6Very high94.3Very high39 Ų3957.4 Ų57.424%0.23631%0.306CS..Hα-helixtrans-55.2-38.7176.7174.20000111.5K66 R67 K241V63-K66 PolarHBondContact O-N 3.15Å; V63-R67 WeakPolarHBondContact O-CG 3.32Å; V63-R67 PolarHBondContact O-N 2.88Å; V63-K241 HydrophobicContact CG2-CB 4.43Å; V63-K241 HydrophobicContact CG2-CD 4.45Å; V63-K241 HydrophobicContact CG2-CG 4.26Å
64E95.4Very high94.3Very high97 Ų9757.4 Ų57.445%0.45331%0.306SS..Hα-helixtrans-64.1-43.6177.9-169.863.9175.600112S62 K66 R67 E68 K194S62-E64 PolarHBondContact O-N 3.23Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 2.74Å; E64-R67 PolarHBondContact O-N 3.41Å; E64-E68 PolarHBondContact O-N 3.15Å; E64-K194 IonicContact OE1-NZ 2.72Å; E64-K194 PolarHBondContact OE1-NZ 3.23Å; E64-K194 IonicContact OE2-NZ 3.15Å; E64-K194 PolarHBondContact OE2-NZ 2.61Å
65K96.2Very high94.4Very high78 Ų7858 Ų5834%0.33930%0.297SS..Hα-helixtrans-65.4-37.7177.7-170.857178.7-1800111.9I61 S62 R67 E68 L69I61-K65 HydrophobicContact CB-CB 4.41Å; I61-K65 HydrophobicContact CB-CG 4.47Å; I61-K65 HydrophobicContact CD1-CB 4.4Å; I61-K65 HydrophobicContact CD1-CG 4.16Å; S62-K65 PolarHBondContact O-N 2.52Å; S62-K65 PolarHBondContact OG-N 3.14Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 2.8Å; K65-E68 WeakPolarHBondContact CD-OE2 3.22Å; K65-E68 WeakPolarHBondContact CE-OE2 3.48Å; K65-E68 VanDerWaalsContact NZ-CD 3.29Å; K65-E68 IonicContact NZ-OE1 3.14Å; K65-E68 PolarHBondContact NZ-OE1 2.81Å; K65-E68 IonicContact NZ-OE2 3.15Å; K65-E68 PolarHBondContact NZ-OE2 3.23Å; K65-E68 PolarHBondContact O-N 2.78Å; K65-L69 HydrophobicContact CD-CG 4.38Å; K65-L69 HydrophobicContact CG-CD1 4.17Å; K65-L69 HydrophobicContact CG-CG 4.45Å; K65-L69 WeakPolarHBondContact O-CB 3.37Å; K65-L69 WeakPolarHBondContact O-CG 3.42Å; K65-L69 PolarHBondContact O-N 3.01Å
66K95.4Very high94.7Very high66 Ų6657.8 Ų57.829%0.28730%0.297SS..Hα-helixtrans-58-45.8173.5-69.1-176.8176.2-176.70111.4I61 S62 V63 E64 N70I61-K66 HydrophobicContact CD1-CB 4.43Å; I61-K66 HydrophobicContact CD1-CG 3.55Å; I61-K66 HydrophobicContact CG1-CD 4.28Å; I61-K66 HydrophobicContact CG1-CG 3.58Å; I61-K66 VanDerWaalsContact O-CE 3.3Å; I61-K66 WeakPolarHBondContact O-CE 3.48Å; S62-K66 PolarHBondContact O-N 3.41Å; V63-K66 PolarHBondContact O-N 3.15Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 2.74Å; K66-N70 WeakPolarHBondContact O-CB 3.45Å; K66-N70 PolarHBondContact O-N 3.4Å
67R96.9Very high95.1Very high17 Ų1752.5 Ų52.56%0.06427%0.273CS..Hα-helixtrans-68-41.9179.7-70.4170.6175.6179.2-8112.7V63 E64 K65 N70 F71 D238 G240 N246V63-R67 WeakPolarHBondContact O-CG 3.32Å; V63-R67 PolarHBondContact O-N 2.88Å; E64-R67 PolarHBondContact O-N 3.41Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 2.8Å; R67-N70 PolarHBondContact O-N 3.32Å; R67-F71 PolarHBondContact O-N 3.14Å; R67-D238 IonicContact CZ-OD1 3.63Å; R67-D238 VanDerWaalsContact CZ-OD1 3.31Å; R67-D238 IonicContact CZ-OD2 3.26Å; R67-D238 IonicContact NH1-OD1 3.31Å; R67-D238 PolarHBondContact NH1-OD1 2.85Å; R67-D238 IonicContact NH1-OD2 3.63Å; R67-D238 PolarHBondContact NH1-OD2 3.11Å; R67-D238 IonicContact NH2-OD1 2.65Å; R67-D238 PolarHBondContact NH2-OD1 3.08Å; R67-D238 IonicContact NH2-OD2 2.8Å; R67-D238 PolarHBondContact NH2-OD2 2.66Å; R67-G240 PolarHBondContact NH2-O 3.43Å; R67-G240 VanDerWaalsContact NH2-O 3.11Å; R67-N246 VanDerWaalsContact CG-O 3.31Å; R67-N246 WeakPolarHBondContact CG-O 3.48Å; R67-N246 PolarHBondContact NE-O 2.84Å
68E97.2Very high95.2Very high94 Ų9452.8 Ų52.844%0.43927%0.271SS..Hα-helixtrans-58.9-52174.1-173.6-160.9165.400110.7E64 K65 N70 F71 L72E64-E68 PolarHBondContact O-N 3.15Å; K65-E68 WeakPolarHBondContact CD-OE2 3.22Å; K65-E68 WeakPolarHBondContact CE-OE2 3.48Å; K65-E68 VanDerWaalsContact NZ-CD 3.29Å; K65-E68 IonicContact NZ-OE1 3.14Å; K65-E68 PolarHBondContact NZ-OE1 2.81Å; K65-E68 IonicContact NZ-OE2 3.15Å; K65-E68 PolarHBondContact NZ-OE2 3.23Å; K65-E68 PolarHBondContact O-N 2.78Å; E68-N70 PolarHBondContact O-N 2.92Å; E68-F71 PolarHBondContact O-N 3.09Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 2.86Å
69L97.2Very high95.7Very high35 Ų3559 Ų5918%0.18328%0.283CS..Hα-helixtrans-59.7-43.9178.9-73.8172.6000111.8I61 K65 F71 L72 R73I61-L69 HydrophobicContact CD1-CD1 3.67Å; K65-L69 HydrophobicContact CD-CG 4.38Å; K65-L69 HydrophobicContact CG-CD1 4.17Å; K65-L69 HydrophobicContact CG-CG 4.45Å; K65-L69 WeakPolarHBondContact O-CB 3.37Å; K65-L69 WeakPolarHBondContact O-CG 3.42Å; K65-L69 PolarHBondContact O-N 3.01Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 2.85Å; L69-L72 PolarHBondContact O-N 2.9Å; L69-R73 VanDerWaalsContact O-CG 3.27Å; L69-R73 WeakPolarHBondContact O-CG 3.38Å; L69-R73 PolarHBondContact O-N 3.05Å
70N96.9Very high96Very high2 Ų258.7 Ų58.71%0.01128%0.279CS..Hα-helixtrans-66.1-35177.3-83.74.8000112.9K66 R67 E68 R73 V74 D106 A108 L109 K112K66-N70 WeakPolarHBondContact O-CB 3.45Å; K66-N70 PolarHBondContact O-N 3.4Å; R67-N70 PolarHBondContact O-N 3.32Å; E68-N70 PolarHBondContact O-N 2.92Å; N70-R73 PolarHBondContact O-N 2.79Å; N70-R73 WeakPolarHBondContact OD1-CD 3.41Å; N70-R73 PolarHBondContact OD1-NH1 3.43Å; N70-V74 VanDerWaalsContact O-CG2 3.32Å; N70-V74 WeakPolarHBondContact O-CG2 3.27Å; N70-V74 PolarHBondContact O-N 2.96Å; N70-D106 PolarHBondContact ND2-OD2 3.12Å; N70-D106 PolarHBondContact OD1-OD2 3.32Å; N70-A108 WeakPolarHBondContact ND2-CB 3.39Å; N70-L109 PolarHBondContact ND2-N 2.83Å; N70-K112 HydrophobicContact CB-CD 4.26Å
71F97.5Very high96.4Very high72 Ų7254.5 Ų54.532%0.31626%0.256SS..Hα-helixtrans-62.7-42.8171.2-177.9-110.5000112.3R67 E68 L69 V74 K75 M142 T195R67-F71 PolarHBondContact O-N 3.14Å; E68-F71 PolarHBondContact O-N 3.09Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 2.85Å; F71-V74 PolarHBondContact O-N 3.35Å; F71-K75 HydrophobicContact CD1-CD 4.26Å; F71-K75 HydrophobicContact CE1-CD 3.77Å; F71-K75 HydrophobicContact CE1-CG 4.38Å; F71-K75 HydrophobicContact CZ-CD 4.15Å; F71-K75 HydrophobicContact CZ-CG 4.4Å; F71-K75 PolarHBondContact O-N 2.85Å; F71-M142 HydrophobicContact CE2-CE 4.48Å; F71-T195 HydrophobicContact CD2-CG2 3.64Å; F71-T195 HydrophobicContact CE2-CG2 3.62Å
72L98.1Very high96.5Very high68 Ų6853.1 Ų53.136%0.35625%0.249SC..Hα-helixtrans-63.3-41.5176-65.5175.3000112.1V52 E68 L69 K75 Q76V52-L72 HydrophobicContact CG2-CB 3.93Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 2.86Å; L69-L72 PolarHBondContact O-N 2.9Å; L72-K75 WeakPolarHBondContact O-CB 3.35Å; L72-K75 PolarHBondContact O-N 3.45Å; L72-Q76 PolarHBondContact O-N 2.82Å
73R98.4Very high96.5Very high11 Ų1149.7 Ų49.74%0.04222%0.224CC..Hα-helixtrans-62.2-43.3174.4-71165.4-176.9164.3-2.2111.6V52 F53 L69 N70 K75 Q76 L77 Y105 L109V52-R73 HydrophobicContact CG1-CG 4.1Å; V52-R73 HydrophobicContact CG2-CG 4.09Å; V52-R73 PolarHBondContact O-NE 3.35Å; V52-R73 PolarHBondContact O-NH2 3.03Å; F53-R73 HydrophobicContact CD1-CB 4.36Å; F53-R73 HydrophobicContact CD1-CG 3.82Å; F53-R73 HydrophobicContact CE1-CB 3.65Å; F53-R73 HydrophobicContact CE1-CG 3.6Å; F53-R73 HydrophobicContact CG-CG 4.4Å; F53-R73 HydrophobicContact CZ-CB 3.91Å; F53-R73 HydrophobicContact CZ-CG 4.03Å; L69-R73 VanDerWaalsContact O-CG 3.27Å; L69-R73 WeakPolarHBondContact O-CG 3.38Å; L69-R73 PolarHBondContact O-N 3.05Å; N70-R73 PolarHBondContact O-N 2.79Å; N70-R73 WeakPolarHBondContact OD1-CD 3.41Å; N70-R73 PolarHBondContact OD1-NH1 3.43Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 2.79Å; R73-Q76 CarbonylContact O-C 3.47Å; R73-Q76 WeakPolarHBondContact O-CA 3.48Å; R73-Q76 VanDerWaalsContact O-CB 3.32Å; R73-Q76 WeakPolarHBondContact O-CB 3.31Å; R73-Q76 PolarHBondContact O-N 2.98Å; R73-L77 WeakPolarHBondContact O-CG 3.32Å; R73-L77 PolarHBondContact O-N 2.97Å; R73-Y105 PolarHBondContact NH2-OH 3.32Å; R73-Y105 VanDerWaalsContact NH2-OH 3.08Å; R73-L109 HydrophobicContact CB-CD1 3.62Å; R73-L109 HydrophobicContact CB-CD2 4.31Å
74V97.9Very high96.3Very high0 Ų050.2 Ų50.20%023%0.227CC..Hα-helixtrans-56.7-47.6173166.60000111N70 F71 Q76 L77 F78 L109 K112 Y113 M142 F145N70-V74 VanDerWaalsContact O-CG2 3.32Å; N70-V74 WeakPolarHBondContact O-CG2 3.27Å; N70-V74 PolarHBondContact O-N 2.96Å; F71-V74 PolarHBondContact O-N 3.35Å; V74-Q76 PolarHBondContact O-N 2.85Å; V74-L77 WeakPolarHBondContact O-CB 3.38Å; V74-L77 PolarHBondContact O-N 3.09Å; V74-F78 HydrophobicContact CG1-CD2 4.04Å; V74-F78 HydrophobicContact CG1-CE2 3.94Å; V74-F78 WeakPolarHBondContact O-CD2 3.29Å; V74-F78 PolarHBondContact O-N 2.93Å; V74-F78 VanDerWaalsContact O-N 3.09Å; V74-L109 HydrophobicContact CG2-CD1 3.69Å; V74-K112 HydrophobicContact CG2-CB 4Å; V74-K112 HydrophobicContact CG2-CD 3.93Å; V74-K112 HydrophobicContact CG2-CG 3.86Å; V74-Y113 HydrophobicContact CG1-CD2 4.3Å; V74-M142 HydrophobicContact CG1-CE 4.42Å; V74-F145 HydrophobicContact CG1-CE2 3.99Å; V74-F145 HydrophobicContact CG1-CZ 4.24Å
75K97.3Very high95.9Very high75 Ų7551.5 Ų51.533%0.32623%0.232SC..Hα-helixtrans-56.8-35.9175.1-70.1179.466.7170.60112.1F71 L72 R73 F78 R79 M142F71-K75 HydrophobicContact CD1-CD 4.26Å; F71-K75 HydrophobicContact CE1-CD 3.77Å; F71-K75 HydrophobicContact CE1-CG 4.38Å; F71-K75 HydrophobicContact CZ-CD 4.15Å; F71-K75 HydrophobicContact CZ-CG 4.4Å; F71-K75 PolarHBondContact O-N 2.85Å; L72-K75 WeakPolarHBondContact O-CB 3.35Å; L72-K75 PolarHBondContact O-N 3.45Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 2.79Å; K75-F78 PolarHBondContact O-N 2.9Å; K75-R79 WeakPolarHBondContact O-CG 3.25Å; K75-R79 PolarHBondContact O-N 3.22Å; K75-M142 HydrophobicContact CB-SD 4.41Å; K75-M142 HydrophobicContact CG-CE 3.7Å; K75-M142 HydrophobicContact CG-SD 4Å
76Q97.8Very high95.7Very high30 Ų3055.4 Ų55.414%0.1425%0.251CS..Hα-helixtrans-70-38.4177-162.361.422.300112.3D50 V52 F53 L72 R73 V74 F78 R79 Y80D50-Q76 WeakPolarHBondContact OD2-CG 3.4Å; D50-Q76 PolarHBondContact OD2-NE2 2.65Å; V52-Q76 HydrophobicContact CG1-CB 4.32Å; V52-Q76 HydrophobicContact CG1-CG 4.35Å; F53-Q76 HydrophobicContact CE2-CB 4.17Å; F53-Q76 HydrophobicContact CE2-CG 4Å; F53-Q76 HydrophobicContact CZ-CB 4.33Å; L72-Q76 PolarHBondContact O-N 2.82Å; R73-Q76 CarbonylContact O-C 3.47Å; R73-Q76 WeakPolarHBondContact O-CA 3.48Å; R73-Q76 VanDerWaalsContact O-CB 3.32Å; R73-Q76 WeakPolarHBondContact O-CB 3.31Å; R73-Q76 PolarHBondContact O-N 2.98Å; V74-Q76 PolarHBondContact O-N 2.85Å; Q76-F78 VanDerWaalsContact C-N 3.3Å; Q76-F78 PolarHBondContact O-N 2.93Å; Q76-R79 WeakPolarHBondContact O-CB 3.42Å; Q76-R79 PolarHBondContact O-N 2.77Å; Q76-R79 VanDerWaalsContact OE1-CD 3.25Å; Q76-Y80 HydrophobicContact CB-CE2 4.47Å; Q76-Y80 HydrophobicContact CG-CD1 4.47Å; Q76-Y80 HydrophobicContact CG-CD2 4.19Å; Q76-Y80 HydrophobicContact CG-CE1 3.86Å; Q76-Y80 HydrophobicContact CG-CE2 3.57Å; Q76-Y80 WeakPolarHBondContact CG-OH 3.07Å; Q76-Y80 WeakPolarHBondContact O-CD2 3.35Å; Q76-Y80 PolarHBondContact O-N 3.25Å
77L96.9Very high95.6Very high2 Ų255 Ų551%0.0125%0.252CS..Hα-helixtrans-60-38.8172.4-61.6-178.8000112.5F53 R73 V74 R79 Y80 N81 F82 L102 L109 Y113F53-L77 HydrophobicContact CZ-CD2 4.22Å; R73-L77 WeakPolarHBondContact O-CG 3.32Å; R73-L77 PolarHBondContact O-N 2.97Å; V74-L77 WeakPolarHBondContact O-CB 3.38Å; V74-L77 PolarHBondContact O-N 3.09Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 2.74Å; L77-Y80 HydrophobicContact CD2-CD2 4.38Å; L77-N81 PolarHBondContact O-N 2.79Å; L77-F82 HydrophobicContact CD2-CD2 4.36Å; L77-F82 HydrophobicContact CD2-CE2 3.86Å; L77-L102 HydrophobicContact CD1-CD1 3.76Å; L77-L102 HydrophobicContact CD1-CD2 4.23Å; L77-L102 HydrophobicContact CD2-CD1 4.24Å; L77-L102 HydrophobicContact CD2-CD2 3.64Å; L77-L109 HydrophobicContact CD1-CD1 3.89Å; L77-L109 HydrophobicContact CD1-CD2 4.32Å; L77-L109 HydrophobicContact CD1-CG 4.11Å; L77-Y113 HydrophobicContact CB-CD2 4.19Å; L77-Y113 HydrophobicContact CB-CE2 4.06Å; L77-Y113 HydrophobicContact CD1-CD1 4.46Å; L77-Y113 HydrophobicContact CD1-CD2 4.1Å; L77-Y113 HydrophobicContact CD1-CG 4.02Å
78F95.3Very high95.3Very high33 Ų3356.5 Ų56.515%0.14526%0.26CS..Hα-helixtrans-62.3-37.5172.3-87.3-95.8000112.5V74 K75 Q76 Y113 I139 M142V74-F78 HydrophobicContact CG1-CD2 4.04Å; V74-F78 HydrophobicContact CG1-CE2 3.94Å; V74-F78 WeakPolarHBondContact O-CD2 3.29Å; V74-F78 PolarHBondContact O-N 2.93Å; V74-F78 VanDerWaalsContact O-N 3.09Å; K75-F78 PolarHBondContact O-N 2.9Å; Q76-F78 VanDerWaalsContact C-N 3.3Å; Q76-F78 PolarHBondContact O-N 2.93Å; F78-Y113 HydrophobicContact CD2-CD2 4.25Å; F78-Y113 HydrophobicContact CD2-CE2 4.03Å; F78-Y113 AromaticContact CE2-CD2 3.91Å; F78-Y113 HydrophobicContact CE2-CD2 3.91Å; F78-Y113 AromaticContact CE2-CE2 3.84Å; F78-Y113 HydrophobicContact CE2-CE2 3.84Å; F78-Y113 HydrophobicContact CZ-CE2 4.46Å; F78-I139 WeakPolarHBondContact CE1-O 3.35Å; F78-M142 HydrophobicContact CB-CG 4.31Å; F78-M142 HydrophobicContact CB-SD 3.79Å; F78-M142 HydrophobicContact CD1-CG 3.49Å; F78-M142 VanDerWaalsContact CD1-CG 3.49Å; F78-M142 HydrophobicContact CD1-SD 4.05Å; F78-M142 HydrophobicContact CD2-CE 4.17Å; F78-M142 HydrophobicContact CD2-CG 3.94Å; F78-M142 HydrophobicContact CD2-SD 3.57Å; F78-M142 VanDerWaalsContact CD2-SD 3.57Å; F78-M142 HydrophobicContact CE1-CG 3.66Å; F78-M142 HydrophobicContact CE2-CE 4.31Å; F78-M142 HydrophobicContact CE2-CG 4.1Å; F78-M142 HydrophobicContact CE2-SD 4.13Å; F78-M142 HydrophobicContact CG-CG 3.65Å; F78-M142 HydrophobicContact CG-SD 3.52Å; F78-M142 VanDerWaalsContact CG-SD 3.52Å; F78-M142 HydrophobicContact CZ-CG 3.96Å
79R95.9Very high94.9Very high170 Ų17058.7 Ų58.764%0.64227%0.272SS*.Hα-helixtrans-71.9-42.2177.8-70.5166.5176.4165.5-4.7112.8K75 Q76 L77 N81K75-R79 WeakPolarHBondContact O-CG 3.25Å; K75-R79 PolarHBondContact O-N 3.22Å; Q76-R79 WeakPolarHBondContact O-CB 3.42Å; Q76-R79 PolarHBondContact O-N 2.77Å; Q76-R79 VanDerWaalsContact OE1-CD 3.25Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 2.74Å; R79-N81 VanDerWaalsContact C-N 3.29Å
80Y96.3Very high94.8Very high63 Ų6361 Ų6125%0.24730%0.297CS..Hα-helixtrans-65.5-38.4177-63.2-34000111.6D50 F53 Q76 L77 F82D50-Y80 WeakPolarHBondContact CB-OH 3.34Å; D50-Y80 PolarHBondContact OD2-OH 2.94Å; F53-Y80 AromaticContact CE2-CE2 3.88Å; F53-Y80 HydrophobicContact CE2-CE2 3.88Å; F53-Y80 HydrophobicContact CZ-CE2 4.35Å; Q76-Y80 HydrophobicContact CB-CE2 4.47Å; Q76-Y80 HydrophobicContact CG-CD1 4.47Å; Q76-Y80 HydrophobicContact CG-CD2 4.19Å; Q76-Y80 HydrophobicContact CG-CE1 3.86Å; Q76-Y80 HydrophobicContact CG-CE2 3.57Å; Q76-Y80 WeakPolarHBondContact CG-OH 3.07Å; Q76-Y80 WeakPolarHBondContact O-CD2 3.35Å; Q76-Y80 PolarHBondContact O-N 3.25Å; L77-Y80 HydrophobicContact CD2-CD2 4.38Å; Y80-F82 VanDerWaalsContact C-N 3.26Å; Y80-F82 HydrophobicContact CD2-CD2 4.4Å; Y80-F82 HydrophobicContact CD2-CE1 4.22Å; Y80-F82 AromaticContact CD2-CE2 3.49Å; Y80-F82 HydrophobicContact CD2-CE2 3.49Å; Y80-F82 VanDerWaalsContact CD2-CE2 3.49Å; Y80-F82 AromaticContact CD2-CZ 3.37Å; Y80-F82 HydrophobicContact CD2-CZ 3.37Å; Y80-F82 HydrophobicContact CE2-CE2 4.31Å; Y80-F82 AromaticContact CE2-CZ 3.99Å; Y80-F82 HydrophobicContact CE2-CZ 3.99Å; Y80-F82 HydrophobicContact CG-CE1 4.32Å; Y80-F82 HydrophobicContact CG-CE2 4.17Å; Y80-F82 AromaticContact CG-CZ 3.9Å; Y80-F82 HydrophobicContact CG-CZ 3.9Å; Y80-F82 PolarHBondContact O-N 3.45Å
81N94.3Very high94.7Very high68 Ų6862.3 Ų62.336%0.36430%0.303SS..  trans45.853.3-178.6-171.444.4000111.6L77 R79 L83L77-N81 PolarHBondContact O-N 2.79Å; R79-N81 VanDerWaalsContact C-N 3.29Å; N81-L83 PolarHBondContact O-N 2.75Å; N81-L83 PolarHBondContact OD1-O 3.42Å
82F95.9Very high94.5Very high20 Ų2060 Ų609%0.08830%0.296CS..  trans-50.8-25-173.4-72.3-60.6000114.4F39 H42 V43 L77 Y80 L98F39-F82 HydrophobicContact CE2-CB 4.25Å; F39-F82 HydrophobicContact CZ-CB 4.31Å; H42-F82 AromaticContact CD2-CD1 3.75Å; H42-F82 AromaticContact CD2-CE1 3.99Å; H42-F82 AromaticContact NE2-CD1 3.64Å; H42-F82 AromaticContact NE2-CE1 3.78Å; V43-F82 HydrophobicContact CG1-CE2 4.28Å; V43-F82 HydrophobicContact CG1-CZ 4.33Å; V43-F82 HydrophobicContact CG2-CD1 4.04Å; V43-F82 HydrophobicContact CG2-CD2 4.45Å; V43-F82 HydrophobicContact CG2-CE1 4.26Å; V43-F82 HydrophobicContact CG2-CG 4.15Å; L77-F82 HydrophobicContact CD2-CD2 4.36Å; L77-F82 HydrophobicContact CD2-CE2 3.86Å; Y80-F82 VanDerWaalsContact C-N 3.26Å; Y80-F82 HydrophobicContact CD2-CD2 4.4Å; Y80-F82 HydrophobicContact CD2-CE1 4.22Å; Y80-F82 AromaticContact CD2-CE2 3.49Å; Y80-F82 HydrophobicContact CD2-CE2 3.49Å; Y80-F82 VanDerWaalsContact CD2-CE2 3.49Å; Y80-F82 AromaticContact CD2-CZ 3.37Å; Y80-F82 HydrophobicContact CD2-CZ 3.37Å; Y80-F82 HydrophobicContact CE2-CE2 4.31Å; Y80-F82 AromaticContact CE2-CZ 3.99Å; Y80-F82 HydrophobicContact CE2-CZ 3.99Å; Y80-F82 HydrophobicContact CG-CE1 4.32Å; Y80-F82 HydrophobicContact CG-CE2 4.17Å; Y80-F82 AromaticContact CG-CZ 3.9Å; Y80-F82 HydrophobicContact CG-CZ 3.9Å; Y80-F82 PolarHBondContact O-N 3.45Å; F82-L98 HydrophobicContact CB-CD1 3.97Å; F82-L98 HydrophobicContact CB-CD2 4.2Å; F82-L98 HydrophobicContact CD2-CD1 3.65Å; F82-L98 HydrophobicContact CE2-CD1 4.43Å; F82-L98 HydrophobicContact CG-CD1 4.07Å
83L94.1Very high94.3Very high3 Ų357 Ų572%0.01628%0.28CS..  trans-133123.5176.4-65.6172000110.8F39 N81 D87 M88 K94 V95 L98 R117F39-L83 HydrophobicContact CE1-CD1 4.41Å; F39-L83 HydrophobicContact CE1-CD2 4.34Å; F39-L83 HydrophobicContact CE2-CD2 3.68Å; F39-L83 HydrophobicContact CE2-CG 4.1Å; F39-L83 HydrophobicContact CZ-CD1 3.94Å; F39-L83 HydrophobicContact CZ-CD2 3.59Å; F39-L83 HydrophobicContact CZ-CG 3.66Å; N81-L83 PolarHBondContact O-N 2.75Å; N81-L83 PolarHBondContact OD1-O 3.42Å; L83-D87 HydrophobicContact CD2-CB 3.88Å; L83-M88 HydrophobicContact CB-CE 3.56Å; L83-M88 HydrophobicContact CB-CG 4.05Å; L83-M88 HydrophobicContact CD1-CE 4.43Å; L83-K94 HydrophobicContact CD1-CB 4.03Å; L83-K94 WeakPolarHBondContact CD1-O 3.38Å; L83-K94 HydrophobicContact CD2-CB 3.73Å; L83-K94 HydrophobicContact CD2-CD 3.94Å; L83-K94 HydrophobicContact CD2-CG 4.42Å; L83-V95 HydrophobicContact CD1-CG2 4.34Å; L83-L98 HydrophobicContact CD1-CB 3.99Å; L83-L98 HydrophobicContact CD1-CD2 3.89Å; L83-L98 HydrophobicContact CG-CD2 4.28Å; L83-R117 PolarHBondContact O-NH2 2.96Å
84T92.1Very high94.3Very high50 Ų5057.9 Ų57.931%0.30728%0.284SS..  trans-79.2166.7164.970.60000110.6E86 D87 M88T84-E86 PolarHBondContact O-N 2.79Å; T84-E86 PolarHBondContact OG1-N 3.37Å; T84-D87 WeakPolarHBondContact CB-OD2 3.24Å; T84-D87 WeakPolarHBondContact CG2-OD2 3.5Å; T84-D87 PolarHBondContact N-OD2 3.46Å; T84-D87 PolarHBondContact O-N 2.96Å; T84-D87 PolarHBondContact OG1-N 2.88Å; T84-D87 VanDerWaalsContact OG1-N 3.14Å; T84-D87 PolarHBondContact OG1-OD2 2.95Å; T84-M88 VanDerWaalsContact O-CG 3.27Å; T84-M88 WeakPolarHBondContact O-CG 3.4Å; T84-M88 PolarHBondContact O-N 2.93Å; T84-M88 VanDerWaalsContact O-N 3.1Å
85K87.2Confident94.1Very high125 Ų12559.9 Ų59.954%0.54330%0.296SS..Hα-helixtrans-60.8-34.1173.8-69.2179.5-178.7168.80111.9M88 M89 E140K85-M88 PolarHBondContact O-N 2.9Å; K85-M89 WeakPolarHBondContact O-CG 3.47Å; K85-M89 PolarHBondContact O-N 3.46Å; K85-E140 WeakPolarHBondContact CE-OE1 3.41Å; K85-E140 IonicContact NZ-OE1 2.63Å; K85-E140 PolarHBondContact NZ-OE1 3.47Å; K85-E140 IonicContact NZ-OE2 2.76Å
86E91.4Very high94Very high160 Ų16056.5 Ų56.575%0.74828%0.281SS*.Hα-helixtrans-66.2-44.8177.8-69.2162.3-163.600110.8T84 M88 M89 A90T84-E86 PolarHBondContact O-N 2.79Å; T84-E86 PolarHBondContact OG1-N 3.37Å; E86-M88 VanDerWaalsContact C-N 3.33Å; E86-M88 PolarHBondContact O-N 3.19Å; E86-M89 PolarHBondContact O-N 2.55Å; E86-A90 WeakPolarHBondContact O-CB 3.42Å; E86-A90 PolarHBondContact O-N 2.82Å
87D92.9Very high94Very high57 Ų5755 Ų5531%0.30528%0.275SS..Hα-helixtrans-60-43.6175.1-61.7-53.7000111.9L83 T84 M89 A90 N91L83-D87 HydrophobicContact CD2-CB 3.88Å; T84-D87 WeakPolarHBondContact CB-OD2 3.24Å; T84-D87 WeakPolarHBondContact CG2-OD2 3.5Å; T84-D87 PolarHBondContact N-OD2 3.46Å; T84-D87 PolarHBondContact O-N 2.96Å; T84-D87 PolarHBondContact OG1-N 2.88Å; T84-D87 VanDerWaalsContact OG1-N 3.14Å; T84-D87 PolarHBondContact OG1-OD2 2.95Å; D87-M89 VanDerWaalsContact C-N 3.31Å; D87-M89 PolarHBondContact O-N 3.45Å; D87-A90 PolarHBondContact O-N 3.03Å; D87-N91 PolarHBondContact O-N 3.17Å
88M91.1Very high94.1Very high49 Ų4955.3 Ų55.324%0.24128%0.276CS..Hα-helixtrans-63.6-37.1178.9-65.3176.2-177.700112L83 T84 K85 E86 N91 P92 V95L83-M88 HydrophobicContact CB-CE 3.56Å; L83-M88 HydrophobicContact CB-CG 4.05Å; L83-M88 HydrophobicContact CD1-CE 4.43Å; T84-M88 VanDerWaalsContact O-CG 3.27Å; T84-M88 WeakPolarHBondContact O-CG 3.4Å; T84-M88 PolarHBondContact O-N 2.93Å; T84-M88 VanDerWaalsContact O-N 3.1Å; K85-M88 PolarHBondContact O-N 2.9Å; E86-M88 VanDerWaalsContact C-N 3.33Å; E86-M88 PolarHBondContact O-N 3.19Å; M88-N91 CarbonylContact O-C 3.58Å; M88-P92 VanDerWaalsContact O-CA 3.23Å; M88-P92 WeakPolarHBondContact O-CA 3.41Å; M88-P92 WeakPolarHBondContact O-CD 3.18Å; M88-P92 WeakPolarHBondContact O-CG 3.42Å; M88-P92 VanDerWaalsContact O-N 3.17Å; M88-V95 HydrophobicContact CB-CG2 4.11Å; M88-V95 HydrophobicContact CG-CG2 3.68Å; M88-V95 HydrophobicContact SD-CG2 4.26Å
89M89.1Confident94.2Very high140 Ų14054.3 Ų54.369%0.6927%0.272SS*.Hα-helixtrans-74-37.9176.6-73.3-178.564.700112.2K85 E86 D87K85-M89 WeakPolarHBondContact O-CG 3.47Å; K85-M89 PolarHBondContact O-N 3.46Å; E86-M89 PolarHBondContact O-N 2.55Å; D87-M89 VanDerWaalsContact C-N 3.31Å; D87-M89 PolarHBondContact O-N 3.45Å
90A93.6Very high94.3Very high84 Ų8446.2 Ų46.269%0.69424%0.242SC*.Hα-helixtrans-68.5-42.9179.600000111.9E86 D87E86-A90 WeakPolarHBondContact O-CB 3.42Å; E86-A90 PolarHBondContact O-N 2.82Å; D87-A90 PolarHBondContact O-N 3.03Å
91N95.1Very high94.4Very high28 Ų2843.2 Ų43.215%0.1523%0.23CC..  trans-140.889.4175.9-169.9-17.2000111.1E35 D87 M88 W93 K94E35-N91 PolarHBondContact OE2-ND2 3.43Å; D87-N91 PolarHBondContact O-N 3.17Å; M88-N91 CarbonylContact O-C 3.58Å; N91-W93 PolarHBondContact O-N 2.85Å; N91-W93 WeakPolarHBondContact OD1-CB 3.12Å; N91-W93 PolarHBondContact OD1-N 3.42Å; N91-W93 VanDerWaalsContact OD1-N 3.16Å; N91-K94 HydrophobicContact CB-CD 4.24Å; N91-K94 HydrophobicContact CB-CG 4.26Å; N91-K94 WeakPolarHBondContact O-CB 3.48Å; N91-K94 PolarHBondContact O-N 3.36Å
92P93.7Very high94.6Very high25 Ų2540 Ų4016%0.16221%0.213CC..THydrogen-bonded Turntrans-59-17.8179.3-26.434.7000114.7M88 K94 V95 Y366 I370M88-P92 VanDerWaalsContact O-CA 3.23Å; M88-P92 WeakPolarHBondContact O-CA 3.41Å; M88-P92 WeakPolarHBondContact O-CD 3.18Å; M88-P92 WeakPolarHBondContact O-CG 3.42Å; M88-P92 VanDerWaalsContact O-N 3.17Å; P92-K94 VanDerWaalsContact C-N 3.27Å; P92-K94 PolarHBondContact O-N 3.22Å; P92-V95 PolarHBondContact O-N 3Å; P92-Y366 HydrophobicContact CB-CE1 4.43Å; P92-Y366 PolarHBondContact O-OH 2.79Å; P92-I370 HydrophobicContact CB-CD1 3.91Å; P92-I370 HydrophobicContact CB-CG1 4.06Å; P92-I370 HydrophobicContact CB-CG2 4.3Å; P92-I370 HydrophobicContact CG-CG2 4.12Å
93W95.3Very high94.7Very high5 Ų539.1 Ų39.12%0.01921%0.209CC..Hα-helixtrans-67.6-29.4175.4-166.6-127.9000112.4N91 V95 V96 I97 K363 Y366 M367N91-W93 PolarHBondContact O-N 2.85Å; N91-W93 WeakPolarHBondContact OD1-CB 3.12Å; N91-W93 PolarHBondContact OD1-N 3.42Å; N91-W93 VanDerWaalsContact OD1-N 3.16Å; W93-V95 PolarHBondContact O-N 3.08Å; W93-V96 HydrophobicContact CD2-CB 4.5Å; W93-V96 HydrophobicContact CE3-CB 3.92Å; W93-V96 HydrophobicContact CE3-CG1 4.31Å; W93-V96 HydrophobicContact CE3-CG2 4Å; W93-V96 HydrophobicContact CH2-CB 4.35Å; W93-V96 HydrophobicContact CH2-CG1 3.84Å; W93-V96 HydrophobicContact CZ3-CB 3.84Å; W93-V96 HydrophobicContact CZ3-CG1 3.73Å; W93-V96 HydrophobicContact CZ3-CG2 3.92Å; W93-V96 PolarHBondContact O-N 3.12Å; W93-V96 VanDerWaalsContact O-N 3.11Å; W93-I97 HydrophobicContact CD2-CG1 4.46Å; W93-I97 HydrophobicContact CG-CG1 4.24Å; W93-I97 HydrophobicContact CZ2-CD1 4.05Å; W93-I97 WeakPolarHBondContact O-CG1 3.46Å; W93-I97 PolarHBondContact O-N 3.34Å; W93-K363 HydrophobicContact CD2-CG 4.27Å; W93-K363 HydrophobicContact CE3-CG 4.46Å; W93-K363 VanDerWaalsContact CH2-CA 3.47Å; W93-K363 HydrophobicContact CH2-CB 3.74Å; W93-K363 HydrophobicContact CH2-CG 4.01Å; W93-K363 HydrophobicContact CZ2-CB 3.8Å; W93-K363 HydrophobicContact CZ2-CD 4.23Å; W93-K363 HydrophobicContact CZ2-CG 3.76Å; W93-K363 HydrophobicContact CZ3-CB 4.32Å; W93-K363 HydrophobicContact CZ3-CG 4.34Å; W93-Y366 AromaticContact CE3-CD1 3.48Å; W93-Y366 HydrophobicContact CE3-CD1 3.48Å; W93-Y366 VanDerWaalsContact CE3-CD1 3.48Å; W93-Y366 AromaticContact CE3-CE1 3.91Å; W93-Y366 HydrophobicContact CE3-CE1 3.91Å; W93-Y366 HydrophobicContact CE3-CG 4.17Å; W93-Y366 AromaticContact CZ3-CD1 3.73Å; W93-Y366 HydrophobicContact CZ3-CD1 3.73Å; W93-Y366 HydrophobicContact CZ3-CE1 4.44Å; W93-Y366 AromaticContact CZ3-CG 3.93Å; W93-Y366 HydrophobicContact CZ3-CG 3.93Å; W93-M367 HydrophobicContact CB-CE 3.63Å; W93-M367 HydrophobicContact CD2-CE 4.26Å; W93-M367 HydrophobicContact CE3-CE 4.23Å; W93-M367 HydrophobicContact CG-CE 4.03Å
94K96.8Very high94.9Very high28 Ų2839.3 Ų39.312%0.12221%0.21CC..Hα-helixtrans-59.6-29.2178.5-77.3179.9164.71660112.8E35 I36 F39 L83 N91 P92 I97 L98E35-K94 WeakPolarHBondContact OE1-CE 3.36Å; E35-K94 IonicContact OE1-NZ 3.9Å; E35-K94 PolarHBondContact OE1-NZ 3.25Å; I36-K94 HydrophobicContact CD1-CG 3.87Å; F39-K94 HydrophobicContact CD1-CB 4.36Å; F39-K94 HydrophobicContact CD1-CG 4.17Å; F39-K94 HydrophobicContact CE1-CB 4.2Å; F39-K94 HydrophobicContact CE1-CG 4.49Å; F39-K94 WeakPolarHBondContact CE1-O 3.4Å; F39-K94 HydrophobicContact CG-CG 4.45Å; L83-K94 HydrophobicContact CD1-CB 4.03Å; L83-K94 WeakPolarHBondContact CD1-O 3.38Å; L83-K94 HydrophobicContact CD2-CB 3.73Å; L83-K94 HydrophobicContact CD2-CD 3.94Å; L83-K94 HydrophobicContact CD2-CG 4.42Å; N91-K94 HydrophobicContact CB-CD 4.24Å; N91-K94 HydrophobicContact CB-CG 4.26Å; N91-K94 WeakPolarHBondContact O-CB 3.48Å; N91-K94 PolarHBondContact O-N 3.36Å; P92-K94 VanDerWaalsContact C-N 3.27Å; P92-K94 PolarHBondContact O-N 3.22Å; K94-I97 PolarHBondContact O-N 2.74Å; K94-L98 WeakPolarHBondContact O-CB 3.44Å; K94-L98 PolarHBondContact O-N 2.98Å
95V94.7Very high95.1Very high42 Ų4237 Ų3726%0.25520%0.195SC..Hα-helixtrans-60.2-54.6174.11800000109.9L83 M88 P92 W93 I97 L98 D99L83-V95 HydrophobicContact CD1-CG2 4.34Å; M88-V95 HydrophobicContact CB-CG2 4.11Å; M88-V95 HydrophobicContact CG-CG2 3.68Å; M88-V95 HydrophobicContact SD-CG2 4.26Å; P92-V95 PolarHBondContact O-N 3Å; W93-V95 PolarHBondContact O-N 3.08Å; V95-I97 VanDerWaalsContact C-N 3.27Å; V95-I97 PolarHBondContact O-N 3.27Å; V95-L98 WeakPolarHBondContact O-CB 3.45Å; V95-L98 PolarHBondContact O-N 3.44Å; V95-L98 VanDerWaalsContact O-N 3.16Å; V95-D99 VanDerWaalsContact O-CG 3.28Å; V95-D99 PolarHBondContact O-N 3.44Å; V95-D99 VanDerWaalsContact O-N 3.12Å
96V95.8Very high95.6Very high4 Ų432.3 Ų32.32%0.02418%0.176CC..Hα-helixtrans-60-40.1178.2-178.10000111.2W93 D99 D100 Y302 R305 Y366W93-V96 HydrophobicContact CD2-CB 4.5Å; W93-V96 HydrophobicContact CE3-CB 3.92Å; W93-V96 HydrophobicContact CE3-CG1 4.31Å; W93-V96 HydrophobicContact CE3-CG2 4Å; W93-V96 HydrophobicContact CH2-CB 4.35Å; W93-V96 HydrophobicContact CH2-CG1 3.84Å; W93-V96 HydrophobicContact CZ3-CB 3.84Å; W93-V96 HydrophobicContact CZ3-CG1 3.73Å; W93-V96 HydrophobicContact CZ3-CG2 3.92Å; W93-V96 PolarHBondContact O-N 3.12Å; W93-V96 VanDerWaalsContact O-N 3.11Å; V96-D99 PolarHBondContact O-N 3.28Å; V96-D100 WeakPolarHBondContact O-CB 3.13Å; V96-D100 PolarHBondContact O-N 2.93Å; V96-Y302 HydrophobicContact CG1-CE2 4.35Å; V96-R305 HydrophobicContact CG1-CG 3.9Å; V96-Y366 HydrophobicContact CG2-CD1 4.08Å; V96-Y366 HydrophobicContact CG2-CD2 3.81Å; V96-Y366 HydrophobicContact CG2-CE1 3.69Å; V96-Y366 HydrophobicContact CG2-CE2 3.42Å; V96-Y366 VanDerWaalsContact CG2-CE2 3.42Å; V96-Y366 HydrophobicContact CG2-CG 4.1Å
97I97.7Very high95.8Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-68.1-37.3178.8-65.1-55.4000112.6I36 F39 K40 W93 K94 V95 D99 D100 C101I36-I97 HydrophobicContact CD1-CG1 4.34Å; I36-I97 HydrophobicContact CG2-CD1 4.14Å; I36-I97 HydrophobicContact CG2-CG1 3.82Å; I36-I97 HydrophobicContact CG2-CG2 4.03Å; F39-I97 HydrophobicContact CD1-CB 4.38Å; F39-I97 HydrophobicContact CD1-CG2 3.83Å; F39-I97 HydrophobicContact CE1-CG2 4.23Å; K40-I97 HydrophobicContact CD-CG2 4.22Å; K40-I97 HydrophobicContact CG-CG2 3.5Å; K40-I97 VanDerWaalsContact CG-CG2 3.5Å; W93-I97 HydrophobicContact CD2-CG1 4.46Å; W93-I97 HydrophobicContact CG-CG1 4.24Å; W93-I97 HydrophobicContact CZ2-CD1 4.05Å; W93-I97 WeakPolarHBondContact O-CG1 3.46Å; W93-I97 PolarHBondContact O-N 3.34Å; K94-I97 PolarHBondContact O-N 2.74Å; V95-I97 VanDerWaalsContact C-N 3.27Å; V95-I97 PolarHBondContact O-N 3.27Å; I97-D99 VanDerWaalsContact C-N 3.28Å; I97-D99 PolarHBondContact O-N 3.27Å; I97-D100 PolarHBondContact O-N 3.48Å; I97-C101 WeakPolarHBondContact O-CB 3.4Å; I97-C101 PolarHBondContact O-N 2.95Å; I97-C101 PolarHBondContact O-SG 2.95Å
98L97.8Very high96Very high7 Ų722 Ų224%0.03713%0.127CC..Hα-helixtrans-59.5-47.3174175.759000109.5F39 V43 F82 L83 K94 V95 D100 C101 L102F39-L98 HydrophobicContact CE1-CB 3.93Å; F39-L98 HydrophobicContact CZ-CB 4.01Å; F39-L98 HydrophobicContact CZ-CD1 4.28Å; V43-L98 HydrophobicContact CG1-CD1 4.17Å; V43-L98 HydrophobicContact CG2-CD1 3.9Å; F82-L98 HydrophobicContact CB-CD1 3.97Å; F82-L98 HydrophobicContact CB-CD2 4.2Å; F82-L98 HydrophobicContact CD2-CD1 3.65Å; F82-L98 HydrophobicContact CE2-CD1 4.43Å; F82-L98 HydrophobicContact CG-CD1 4.07Å; L83-L98 HydrophobicContact CD1-CB 3.99Å; L83-L98 HydrophobicContact CD1-CD2 3.89Å; L83-L98 HydrophobicContact CG-CD2 4.28Å; K94-L98 WeakPolarHBondContact O-CB 3.44Å; K94-L98 PolarHBondContact O-N 2.98Å; V95-L98 WeakPolarHBondContact O-CB 3.45Å; V95-L98 PolarHBondContact O-N 3.44Å; V95-L98 VanDerWaalsContact O-N 3.16Å; L98-D100 PolarHBondContact O-N 3.32Å; L98-C101 PolarHBondContact O-N 3.05Å; L98-L102 HydrophobicContact CD1-CD1 3.91Å; L98-L102 HydrophobicContact CD1-CG 4.08Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CG-CG 4.47Å; L98-L102 WeakPolarHBondContact O-CB 3.31Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 3.45Å
99D97.2Very high96.3Very high12 Ų1219.7 Ų19.76%0.06412%0.115CC..Hα-helixtrans-69.6-34.7-178.8-48.4-28.7000111.8V95 V96 I97 L102 G103 V110 Y302V95-D99 VanDerWaalsContact O-CG 3.28Å; V95-D99 PolarHBondContact O-N 3.44Å; V95-D99 VanDerWaalsContact O-N 3.12Å; V96-D99 PolarHBondContact O-N 3.28Å; I97-D99 VanDerWaalsContact C-N 3.28Å; I97-D99 PolarHBondContact O-N 3.27Å; D99-L102 PolarHBondContact O-N 3.43Å; D99-G103 WeakPolarHBondContact O-CA 3.11Å; D99-G103 PolarHBondContact O-N 3.27Å; D99-V110 HydrophobicContact CB-CG1 4.16Å; D99-Y302 HydrophobicContact CB-CE2 4.02Å; D99-Y302 WeakPolarHBondContact CB-OH 3.32Å
100D98Very high96.6Very high0 Ų013.1 Ų13.10%08%0.083CC..Hα-helixtrans-58.3-50.1170.3-78.6-5.4000110.7V96 I97 L98 L102 G103 M104 R305 V309V96-D100 WeakPolarHBondContact O-CB 3.13Å; V96-D100 PolarHBondContact O-N 2.93Å; I97-D100 PolarHBondContact O-N 3.48Å; L98-D100 PolarHBondContact O-N 3.32Å; D100-L102 VanDerWaalsContact C-N 3.35Å; D100-L102 PolarHBondContact O-N 3.1Å; D100-G103 PolarHBondContact O-N 2.73Å; D100-M104 WeakPolarHBondContact O-CB 3.3Å; D100-M104 WeakPolarHBondContact O-CG 3.42Å; D100-M104 PolarHBondContact O-N 3.11Å; D100-R305 WeakPolarHBondContact OD1-CG 3.26Å; D100-R305 IonicContact OD1-NE 2.74Å; D100-R305 PolarHBondContact OD1-NE 3.41Å; D100-R305 IonicContact OD2-CZ 2.77Å; D100-R305 IonicContact OD2-NE 2.69Å; D100-R305 PolarHBondContact OD2-NE 3.24Å; D100-R305 IonicContact OD2-NH2 2.64Å; D100-R305 PolarHBondContact OD2-NH2 3.06Å; D100-V309 HydrophobicContact CB-CG2 4.19Å; D100-V309 WeakPolarHBondContact OD1-CG2 3.43Å
101C98.4Very high96.7Very high1 Ų110 Ų101%0.0076%0.057CC..Hα-helixtrans-60.2-45.4179.4-78.50000111.8V43 F44 I97 L98 Y105V43-C101 HydrophobicContact CB-CB 4.25Å; V43-C101 HydrophobicContact CG1-CB 3.67Å; F44-C101 HydrophobicContact CD1-CB 4.15Å; F44-C101 HydrophobicContact CE1-CB 3.57Å; F44-C101 VanDerWaalsContact CE1-SG 3.53Å; F44-C101 HydrophobicContact CZ-CB 4.11Å; F44-C101 WeakPolarHBondContact CZ-SG 3.19Å; I97-C101 WeakPolarHBondContact O-CB 3.4Å; I97-C101 PolarHBondContact O-N 2.95Å; I97-C101 PolarHBondContact O-SG 2.95Å; L98-C101 PolarHBondContact O-N 3.05Å; C101-Y105 PolarHBondContact O-N 2.73Å
102L98.2Very high96.8Very high1 Ų18.7 Ų8.71%0.0055%0.05CC..Hα-helixtrans-69.8-35.3178.8-66.5176.4000112L47 L77 L98 D99 D100 Y105 D106 L109 V110L47-L102 HydrophobicContact CD1-CD2 4.17Å; L47-L102 HydrophobicContact CD2-CD2 4.3Å; L77-L102 HydrophobicContact CD1-CD1 3.76Å; L77-L102 HydrophobicContact CD1-CD2 4.23Å; L77-L102 HydrophobicContact CD2-CD1 4.24Å; L77-L102 HydrophobicContact CD2-CD2 3.64Å; L98-L102 HydrophobicContact CD1-CD1 3.91Å; L98-L102 HydrophobicContact CD1-CG 4.08Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CG-CG 4.47Å; L98-L102 WeakPolarHBondContact O-CB 3.31Å; L98-L102 VanDerWaalsContact O-CG 3.26Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 3.45Å; D99-L102 PolarHBondContact O-N 3.43Å; D100-L102 VanDerWaalsContact C-N 3.35Å; D100-L102 PolarHBondContact O-N 3.1Å; L102-Y105 CarbonylContact O-C 3.55Å; L102-Y105 WeakPolarHBondContact O-CA 3.38Å; L102-Y105 WeakPolarHBondContact O-CB 3.31Å; L102-Y105 PolarHBondContact O-N 2.78Å; L102-D106 PolarHBondContact O-N 3.33Å; L102-L109 HydrophobicContact CD2-CD2 4.33Å; L102-V110 HydrophobicContact CB-CG2 3.41Å; L102-V110 VanDerWaalsContact CB-CG2 3.41Å
103G97.8Very high97Very high0 Ų08 Ų80%04%0.044CC..Hα-helixtrans-75-35.8179.100000112.2D99 D100 Y105 D106D99-G103 WeakPolarHBondContact O-CA 3.11Å; D99-G103 PolarHBondContact O-N 3.27Å; D100-G103 PolarHBondContact O-N 2.73Å; G103-Y105 PolarHBondContact O-N 3.45Å; G103-D106 PolarHBondContact O-N 3.36Å
104M98.3Very high96.9Very high8 Ų89.4 Ų9.44%0.0395%0.052CC..Hα-helixtrans-57.8-32.7168-74.4177.7-174.700111.3F44 D100 V309 L313 R428 P638 I642F44-M104 HydrophobicContact CZ-SD 3.93Å; D100-M104 WeakPolarHBondContact O-CB 3.3Å; D100-M104 WeakPolarHBondContact O-CG 3.42Å; D100-M104 PolarHBondContact O-N 3.11Å; M104-V309 HydrophobicContact CB-CG1 4.47Å; M104-V309 HydrophobicContact CE-CG1 4.11Å; M104-V309 HydrophobicContact CE-CG2 4.46Å; M104-V309 HydrophobicContact CG-CG1 3.44Å; M104-V309 VanDerWaalsContact CG-CG1 3.44Å; M104-L313 HydrophobicContact CB-CD1 4.37Å; M104-L313 HydrophobicContact CB-CD2 4.41Å; M104-L313 HydrophobicContact CG-CD1 4.43Å; M104-L313 HydrophobicContact CG-CD2 4.16Å; M104-L313 HydrophobicContact CG-CG 4.46Å; M104-R428 VanDerWaalsContact O-CZ 3.27Å; M104-R428 PolarHBondContact O-NH1 3.03Å; M104-R428 PolarHBondContact O-NH2 3.34Å; M104-P638 HydrophobicContact SD-CB 3.89Å; M104-P638 HydrophobicContact SD-CG 4.21Å; M104-I642 HydrophobicContact CB-CG2 3.57Å
105Y97.8Very high96.8Very high0 Ų09.7 Ų9.70%06%0.055CC..Hα-helixtrans-75.6-65.9170.2178.4-92000111.6L47 F53 R55 R73 C101 L102 G103 L109 R428 F641 I642L47-Y105 HydrophobicContact CD1-CG 4.33Å; F53-Y105 WeakPolarHBondContact CA-OH 3.36Å; F53-Y105 HydrophobicContact CB-CE2 4.24Å; F53-Y105 HydrophobicContact CD1-CD1 4.41Å; F53-Y105 AromaticContact CD1-CE1 3.88Å; F53-Y105 HydrophobicContact CD1-CE1 3.88Å; F53-Y105 AromaticContact CD1-CZ 3.97Å; F53-Y105 WeakPolarHBondContact O-CE2 3.45Å; F53-Y105 PolarHBondContact O-OH 2.84Å; R55-Y105 HydrophobicContact CG-CE2 4.33Å; R55-Y105 VanDerWaalsContact CZ-O 3.3Å; R55-Y105 PolarHBondContact NH1-O 3.26Å; R55-Y105 PolarHBondContact NH2-O 3.35Å; R55-Y105 VanDerWaalsContact NH2-O 3.1Å; R73-Y105 PolarHBondContact NH2-OH 3.32Å; R73-Y105 VanDerWaalsContact NH2-OH 3.08Å; C101-Y105 PolarHBondContact O-N 2.73Å; L102-Y105 CarbonylContact O-C 3.55Å; L102-Y105 WeakPolarHBondContact O-CA 3.38Å; L102-Y105 WeakPolarHBondContact O-CB 3.31Å; L102-Y105 PolarHBondContact O-N 2.78Å; G103-Y105 PolarHBondContact O-N 3.45Å; Y105-L109 HydrophobicContact CD1-CD2 4.09Å; Y105-L109 HydrophobicContact CE1-CD2 4.36Å; Y105-R428 PolarHBondContact O-NH2 3.48Å; Y105-F641 HydrophobicContact CD2-CE1 4.14Å; Y105-F641 HydrophobicContact CE2-CE1 4.04Å; Y105-F641 HydrophobicContact CE2-CZ 4.11Å; Y105-I642 HydrophobicContact CD2-CD1 4.08Å
106D96.4Very high96.8Very high27 Ų277.7 Ų7.714%0.1444%0.043CC..  trans-157.3116.2-177.6176.47.7000111.3N70 L102 G103 A108 L109 V110N70-D106 PolarHBondContact ND2-OD2 3.12Å; N70-D106 PolarHBondContact OD1-OD2 3.32Å; L102-D106 PolarHBondContact O-N 3.33Å; G103-D106 PolarHBondContact O-N 3.36Å; D106-A108 VanDerWaalsContact C-N 3.27Å; D106-A108 PolarHBondContact O-N 3.39Å; D106-A108 VanDerWaalsContact OD1-CB 3.29Å; D106-A108 WeakPolarHBondContact OD1-CB 3.33Å; D106-A108 PolarHBondContact OD1-N 2.95Å; D106-L109 HydrophobicContact CB-CB 4.14Å; D106-L109 WeakPolarHBondContact O-CB 3.47Å; D106-L109 PolarHBondContact O-N 2.8Å; D106-L109 VanDerWaalsContact O-N 3.12Å; D106-V110 PolarHBondContact O-N 3.03Å
107W96.7Very high96.6Very high1 Ų110.4 Ų10.40%0.0045%0.052CC..Hα-helixtrans-65.7-26.3178.5-74.8113.2000114.1L109 V110 A111 Q245 M306 V309 N310 D435W107-L109 VanDerWaalsContact C-N 3.27Å; W107-L109 PolarHBondContact O-N 2.85Å; W107-V110 HydrophobicContact CE3-CB 4.07Å; W107-V110 HydrophobicContact CE3-CG1 4.26Å; W107-V110 HydrophobicContact CE3-CG2 4.16Å; W107-V110 HydrophobicContact CZ3-CB 4.44Å; W107-V110 HydrophobicContact CZ3-CG1 4.21Å; W107-V110 HydrophobicContact CZ3-CG2 4.38Å; W107-V110 PolarHBondContact O-N 3.28Å; W107-A111 VanDerWaalsContact O-CB 3.31Å; W107-A111 WeakPolarHBondContact O-CB 3.2Å; W107-A111 PolarHBondContact O-N 3.22Å; W107-Q245 HydrophobicContact CB-CG 4.39Å; W107-M306 HydrophobicContact CD2-CE 4.06Å; W107-M306 HydrophobicContact CE3-CE 3.44Å; W107-M306 VanDerWaalsContact CE3-CE 3.44Å; W107-M306 HydrophobicContact CE3-CG 4.38Å; W107-M306 HydrophobicContact CH2-CB 3.7Å; W107-M306 HydrophobicContact CH2-CE 4.42Å; W107-M306 HydrophobicContact CH2-CG 3.67Å; W107-M306 HydrophobicContact CZ2-CB 3.97Å; W107-M306 HydrophobicContact CZ2-CG 4.42Å; W107-M306 HydrophobicContact CZ3-CB 4.07Å; W107-M306 HydrophobicContact CZ3-CE 3.66Å; W107-M306 HydrophobicContact CZ3-CG 3.64Å; W107-M306 HydrophobicContact CZ3-SD 4.41Å; W107-V309 HydrophobicContact CH2-CB 4.38Å; W107-V309 HydrophobicContact CH2-CG1 4.4Å; W107-V309 HydrophobicContact CZ2-CB 3.82Å; W107-V309 HydrophobicContact CZ2-CG1 3.71Å; W107-N310 VanDerWaalsContact NE1-CG 3.31Å; W107-N310 PolarHBondContact NE1-ND2 2.86Å; W107-N310 PolarHBondContact NE1-OD1 3.14Å; W107-D435 HydrophobicContact CB-CB 4.46Å
108A96.6Very high96.1Very high1 Ų112.3 Ų12.31%0.0087%0.073CC..Hα-helixtrans-67.6-31.5174.800000111.8N70 D106 K112 Q245N70-A108 WeakPolarHBondContact ND2-CB 3.39Å; D106-A108 VanDerWaalsContact C-N 3.27Å; D106-A108 PolarHBondContact O-N 3.39Å; D106-A108 VanDerWaalsContact OD1-CB 3.29Å; D106-A108 WeakPolarHBondContact OD1-CB 3.33Å; D106-A108 PolarHBondContact OD1-N 2.95Å; A108-K112 WeakPolarHBondContact O-CB 3.44Å; A108-K112 PolarHBondContact O-N 3.3Å; A108-K112 VanDerWaalsContact O-N 3.08Å; A108-Q245 HydrophobicContact CB-CB 4.24Å
109L97.2Very high95.8Very high0 Ų013.9 Ų13.90%08%0.08CC..Hα-helixtrans-66.9-50174.1170.262.3000110.5F53 N70 R73 V74 L77 L102 Y105 D106 W107 K112 Y113F53-L109 HydrophobicContact CD1-CD2 4.42Å; F53-L109 HydrophobicContact CE1-CD2 3.73Å; N70-L109 PolarHBondContact ND2-N 2.83Å; R73-L109 HydrophobicContact CB-CD1 3.62Å; R73-L109 HydrophobicContact CB-CD2 4.31Å; V74-L109 HydrophobicContact CG2-CD1 3.69Å; L77-L109 HydrophobicContact CD1-CD1 3.89Å; L77-L109 HydrophobicContact CD1-CD2 4.32Å; L77-L109 HydrophobicContact CD1-CG 4.11Å; L102-L109 HydrophobicContact CD2-CD2 4.33Å; Y105-L109 HydrophobicContact CD1-CD2 4.09Å; Y105-L109 HydrophobicContact CE1-CD2 4.36Å; D106-L109 HydrophobicContact CB-CB 4.14Å; D106-L109 WeakPolarHBondContact O-CB 3.47Å; D106-L109 PolarHBondContact O-N 2.8Å; D106-L109 VanDerWaalsContact O-N 3.12Å; W107-L109 VanDerWaalsContact C-N 3.27Å; W107-L109 PolarHBondContact O-N 2.85Å; L109-K112 PolarHBondContact O-N 3.45Å; L109-Y113 WeakPolarHBondContact O-CB 3.32Å; L109-Y113 PolarHBondContact O-N 3.06Å
110V96.2Very high95.6Very high2 Ų213.3 Ų13.31%0.0128%0.077CC..Hα-helixtrans-57.3-54.1177.3179.50000110.3D99 L102 D106 W107 K112 Y113 D114D99-V110 HydrophobicContact CB-CG1 4.16Å; L102-V110 HydrophobicContact CB-CG2 3.41Å; L102-V110 VanDerWaalsContact CB-CG2 3.41Å; D106-V110 PolarHBondContact O-N 3.03Å; W107-V110 HydrophobicContact CE3-CB 4.07Å; W107-V110 HydrophobicContact CE3-CG1 4.26Å; W107-V110 HydrophobicContact CE3-CG2 4.16Å; W107-V110 HydrophobicContact CZ3-CB 4.44Å; W107-V110 HydrophobicContact CZ3-CG1 4.21Å; W107-V110 HydrophobicContact CZ3-CG2 4.38Å; W107-V110 PolarHBondContact O-N 3.28Å; V110-K112 VanDerWaalsContact C-N 3.27Å; V110-K112 PolarHBondContact O-N 3.47Å; V110-Y113 PolarHBondContact O-N 2.8Å; V110-Y113 VanDerWaalsContact O-N 3.1Å; V110-D114 VanDerWaalsContact CG1-OD2 3.29Å; V110-D114 WeakPolarHBondContact CG1-OD2 3.43Å; V110-D114 WeakPolarHBondContact O-CB 3.3Å; V110-D114 PolarHBondContact O-N 2.91Å
111A95.8Very high95.4Very high17 Ų1713.8 Ų13.814%0.148%0.081CC..Hα-helixtrans-58-40.2-17900000112W107 L115 L248W107-A111 VanDerWaalsContact O-CB 3.31Å; W107-A111 WeakPolarHBondContact O-CB 3.2Å; W107-A111 PolarHBondContact O-N 3.22Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 WeakPolarHBondContact O-CD1 3.32Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 2.79Å; A111-L248 HydrophobicContact CB-CD2 3.93Å
112K97.4Very high95Very high1 Ų115.1 Ų15.10%0.00410%0.095CC..Hα-helixtrans-62.8-45.1177.3-169.2173.3-171.859.70112.2N70 V74 A108 L109 V110 F145 N191 T195 L248 D249N70-K112 HydrophobicContact CB-CD 4.26Å; V74-K112 HydrophobicContact CG2-CB 4Å; V74-K112 HydrophobicContact CG2-CD 3.93Å; V74-K112 HydrophobicContact CG2-CG 3.86Å; A108-K112 WeakPolarHBondContact O-CB 3.44Å; A108-K112 PolarHBondContact O-N 3.3Å; A108-K112 VanDerWaalsContact O-N 3.08Å; L109-K112 PolarHBondContact O-N 3.45Å; V110-K112 VanDerWaalsContact C-N 3.27Å; V110-K112 PolarHBondContact O-N 3.47Å; K112-F145 HydrophobicContact CG-CZ 4.45Å; K112-N191 VanDerWaalsContact CG-OD1 3.32Å; K112-N191 WeakPolarHBondContact CG-OD1 3.46Å; K112-N191 PolarHBondContact NZ-OD1 3.23Å; K112-N191 PolarHBondContact O-ND2 3.15Å; K112-N191 VanDerWaalsContact O-ND2 3.08Å; K112-T195 PolarHBondContact NZ-OG1 3.18Å; K112-L248 HydrophobicContact CB-CD1 4.1Å; K112-L248 HydrophobicContact CG-CD1 4.46Å; K112-D249 IonicContact NZ-OD1 3.53Å; K112-D249 PolarHBondContact NZ-OD1 2.89Å
113Y96.2Very high94.6Very high11 Ų1115.4 Ų15.44%0.04310%0.096CC..Hα-helixtrans-68.4-51.2179.5176.4-108.5000111.8V74 L77 F78 L109 V110 N116 R117V74-Y113 HydrophobicContact CG1-CD2 4.3Å; L77-Y113 HydrophobicContact CB-CD2 4.19Å; L77-Y113 HydrophobicContact CB-CE2 4.06Å; L77-Y113 HydrophobicContact CD1-CD1 4.46Å; L77-Y113 HydrophobicContact CD1-CD2 4.1Å; L77-Y113 HydrophobicContact CD1-CG 4.02Å; F78-Y113 HydrophobicContact CD2-CD2 4.25Å; F78-Y113 HydrophobicContact CD2-CE2 4.03Å; F78-Y113 AromaticContact CE2-CD2 3.91Å; F78-Y113 HydrophobicContact CE2-CD2 3.91Å; F78-Y113 AromaticContact CE2-CE2 3.84Å; F78-Y113 HydrophobicContact CE2-CE2 3.84Å; F78-Y113 HydrophobicContact CZ-CE2 4.46Å; L109-Y113 WeakPolarHBondContact O-CB 3.32Å; L109-Y113 PolarHBondContact O-N 3.06Å; V110-Y113 PolarHBondContact O-N 2.8Å; V110-Y113 VanDerWaalsContact O-N 3.1Å; Y113-N116 PolarHBondContact O-N 3.24Å; Y113-R117 HydrophobicContact CE2-CB 4.49Å; Y113-R117 PolarHBondContact O-N 3.01Å; Y113-R117 WeakPolarHBondContact OH-CD 3.31Å; Y113-R117 PolarHBondContact OH-NH1 3.45Å
114D93.8Very high94.4Very high34 Ų3415.5 Ų15.518%0.18210%0.097CC..Hα-helixtrans-72.1-35.7-174.6-78.4-10.7000113V110 N116 G118 M119V110-D114 VanDerWaalsContact CG1-OD2 3.29Å; V110-D114 WeakPolarHBondContact CG1-OD2 3.43Å; V110-D114 WeakPolarHBondContact O-CB 3.3Å; V110-D114 PolarHBondContact O-N 2.91Å; D114-N116 PolarHBondContact O-N 2.9Å; D114-N116 VanDerWaalsContact O-N 3.13Å; D114-G118 CarbonylContact O-C 3.5Å; D114-G118 WeakPolarHBondContact O-CA 3.29Å; D114-G118 PolarHBondContact O-N 2.8Å; D114-M119 PolarHBondContact O-N 2.8Å
115L94.6Very high94Very high35 Ų3519.1 Ų19.118%0.18312%0.119CC..Iπ-helixtrans-59.5-28.4174.3-76.5171.3000112.1A111 M119 F120 L248A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 WeakPolarHBondContact O-CD1 3.32Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 2.79Å; L115-M119 HydrophobicContact CD2-CB 4.34Å; L115-M119 HydrophobicContact CD2-SD 3.58Å; L115-M119 VanDerWaalsContact CD2-SD 3.58Å; L115-F120 WeakPolarHBondContact O-CB 3.45Å; L115-F120 PolarHBondContact O-N 3.15Å; L115-L248 HydrophobicContact CD1-CD1 4.03Å; L115-L248 HydrophobicContact CD1-CD2 4Å
116N95.5Very high93.4Very high0 Ų021.8 Ų21.80%014%0.138CC..Iπ-helixtrans-85-61.3173.817962.3000112.5Y113 D114 F120 A121 F145 G146Y113-N116 PolarHBondContact O-N 3.24Å; D114-N116 PolarHBondContact O-N 2.9Å; D114-N116 VanDerWaalsContact O-N 3.13Å; N116-F120 WeakPolarHBondContact O-CB 3.48Å; N116-A121 PolarHBondContact O-N 3.46Å; N116-A121 VanDerWaalsContact O-N 3.1Å; N116-F145 HydrophobicContact CB-CD1 4.34Å; N116-F145 HydrophobicContact CB-CD2 4.27Å; N116-F145 HydrophobicContact CB-CE1 3.92Å; N116-F145 HydrophobicContact CB-CE2 3.82Å; N116-F145 HydrophobicContact CB-CZ 3.62Å; N116-F145 WeakPolarHBondContact OD1-CA 3.21Å; N116-G146 PolarHBondContact OD1-N 3.45Å
117R90.9Very high93.1Very high60 Ų6020.8 Ų20.823%0.22613%0.133CC..Iπ-helixtrans-80.9-37.3-172-169.9-178.4173169.9-2.3112.9L83 Y113 A121L83-R117 PolarHBondContact O-NH2 2.96Å; Y113-R117 HydrophobicContact CE2-CB 4.49Å; Y113-R117 PolarHBondContact O-N 3.01Å; Y113-R117 WeakPolarHBondContact OH-CD 3.31Å; Y113-R117 PolarHBondContact OH-NH1 3.45Å; R117-A121 WeakPolarHBondContact O-CB 3.1Å
118G87.7Confident92.8Very high41 Ų4120.8 Ų20.842%0.42313%0.133SC..Iπ-helixtrans-83.3-60.1179.600000112.7D114 G122D114-G118 CarbonylContact O-C 3.5Å; D114-G118 WeakPolarHBondContact O-CA 3.29Å; D114-G118 PolarHBondContact O-N 2.8Å; G118-G122 WeakPolarHBondContact O-CA 3.42Å; G118-G122 PolarHBondContact O-N 2.88Å
119M90.3Very high92.6Very high39 Ų3922.5 Ų22.519%0.19215%0.145CC..Iπ-helixtrans-82.5-55.6-170.7-161178.3-158.900112.9D114 L115 I123 F148 L296 E443D114-M119 PolarHBondContact O-N 2.8Å; L115-M119 HydrophobicContact CD2-CB 4.34Å; L115-M119 HydrophobicContact CD2-SD 3.58Å; L115-M119 VanDerWaalsContact CD2-SD 3.58Å; M119-I123 WeakPolarHBondContact O-CB 3.33Å; M119-I123 WeakPolarHBondContact O-CG1 3.37Å; M119-I123 PolarHBondContact O-N 2.9Å; M119-F148 HydrophobicContact CE-CB 4.23Å; M119-F148 HydrophobicContact CE-CD1 3.37Å; M119-F148 HydrophobicContact CE-CD2 3.78Å; M119-F148 HydrophobicContact CE-CE1 3.47Å; M119-F148 VanDerWaalsContact CE-CE1 3.47Å; M119-F148 HydrophobicContact CE-CE2 3.85Å; M119-F148 HydrophobicContact CE-CG 3.53Å; M119-F148 HydrophobicContact CE-CZ 3.73Å; M119-F148 HydrophobicContact CG-CB 3.98Å; M119-F148 HydrophobicContact CG-CD2 3.94Å; M119-F148 HydrophobicContact CG-CG 4.01Å; M119-F148 HydrophobicContact SD-CB 3.53Å; M119-F148 VanDerWaalsContact SD-CB 3.53Å; M119-F148 HydrophobicContact SD-CD1 3.8Å; M119-F148 HydrophobicContact SD-CD2 4.02Å; M119-F148 HydrophobicContact SD-CE1 4.49Å; M119-F148 HydrophobicContact SD-CG 3.52Å; M119-F148 VanDerWaalsContact SD-CG 3.52Å; M119-L296 HydrophobicContact CE-CD2 4.2Å; M119-E443 WeakPolarHBondContact CE-OE1 3.48Å
120F94.6Very high92.4Very high0 Ų028.3 Ų28.30%019%0.186CC..Iπ-helixtrans-64.2-53.2-178.8175.1-105.7000111.7L115 N116 I123 I124 I139 M144 G146 C147 H198 V200L115-F120 WeakPolarHBondContact O-CB 3.45Å; L115-F120 PolarHBondContact O-N 3.15Å; N116-F120 WeakPolarHBondContact O-CB 3.48Å; F120-I123 PolarHBondContact O-N 3.16Å; F120-I124 HydrophobicContact CD1-CD1 4.1Å; F120-I124 HydrophobicContact CD2-CD1 4.46Å; F120-I124 HydrophobicContact CE1-CD1 3.77Å; F120-I124 HydrophobicContact CE2-CD1 4.14Å; F120-I124 HydrophobicContact CG-CD1 4.44Å; F120-I124 HydrophobicContact CZ-CD1 3.78Å; F120-I124 WeakPolarHBondContact O-CG1 3.44Å; F120-I124 PolarHBondContact O-N 3.49Å; F120-I139 HydrophobicContact CD1-CD1 3.4Å; F120-I139 HydrophobicContact CD1-CG1 3.94Å; F120-I139 HydrophobicContact CE1-CD1 3.36Å; F120-I139 HydrophobicContact CE1-CG1 3.73Å; F120-M144 HydrophobicContact CE1-CG 4.04Å; F120-M144 HydrophobicContact CE1-SD 3.78Å; F120-M144 HydrophobicContact CZ-CG 4.41Å; F120-M144 HydrophobicContact CZ-SD 3.83Å; F120-G146 VanDerWaalsContact CD1-CA 3.48Å; F120-C147 WeakPolarHBondContact CD2-O 3.49Å; F120-H198 HydrophobicContact CE2-CB 4.36Å; F120-H198 HydrophobicContact CZ-CB 3.78Å; F120-V200 HydrophobicContact CD2-CB 4.16Å; F120-V200 HydrophobicContact CD2-CG2 3.59Å; F120-V200 HydrophobicContact CE2-CB 4.35Å; F120-V200 HydrophobicContact CE2-CG2 3.64Å
121A93.5Very high92.2Very high10 Ų1031.3 Ų31.38%0.08320%0.197CC..Hα-helixtrans-64.8-41.1176.200000112.2N116 R117 I123 I124 V125 I139N116-A121 PolarHBondContact O-N 3.46Å; N116-A121 VanDerWaalsContact O-N 3.1Å; R117-A121 WeakPolarHBondContact O-CB 3.1Å; A121-I123 PolarHBondContact O-N 3.14Å; A121-I124 WeakPolarHBondContact O-CB 3.43Å; A121-I124 PolarHBondContact O-N 3.08Å; A121-V125 WeakPolarHBondContact O-CG2 3.3Å; A121-V125 PolarHBondContact O-N 3.06Å; A121-I139 HydrophobicContact CB-CD1 3.77Å; A121-I139 HydrophobicContact CB-CG2 4.23Å
122G89.9Confident92.2Very high29 Ų2930.5 Ų30.530%0.29919%0.19SC..Hα-helixtrans-61.7-39.5179.200000113.2G118 V125 S126G118-G122 WeakPolarHBondContact O-CA 3.42Å; G118-G122 PolarHBondContact O-N 2.88Å; G122-V125 PolarHBondContact O-N 2.74Å; G122-S126 VanDerWaalsContact O-CB 3.23Å; G122-S126 WeakPolarHBondContact O-CB 3.26Å; G122-S126 PolarHBondContact O-N 3.13Å; G122-S126 PolarHBondContact O-OG 3.46Å
123I89.9Confident92.1Very high8 Ų832 Ų324%0.04121%0.206CC..Hα-helixtrans-67.1-40.2174.6-71.1-76.6000111.3M119 F120 A121 V125 S126 T127 F148 V200 L266 A295M119-I123 WeakPolarHBondContact O-CB 3.33Å; M119-I123 WeakPolarHBondContact O-CG1 3.37Å; M119-I123 PolarHBondContact O-N 2.9Å; F120-I123 PolarHBondContact O-N 3.16Å; A121-I123 PolarHBondContact O-N 3.14Å; I123-V125 VanDerWaalsContact C-N 3.29Å; I123-V125 PolarHBondContact O-N 3.1Å; I123-S126 PolarHBondContact O-N 3.48Å; I123-S126 PolarHBondContact O-OG 2.97Å; I123-T127 HydrophobicContact CG2-CG2 4.5Å; I123-T127 WeakPolarHBondContact O-CB 3.45Å; I123-T127 PolarHBondContact O-N 3.17Å; I123-T127 PolarHBondContact O-OG1 3.12Å; I123-F148 HydrophobicContact CD1-CE2 3.95Å; I123-F148 HydrophobicContact CG1-CD2 3.99Å; I123-F148 HydrophobicContact CG1-CE2 3.88Å; I123-V200 HydrophobicContact CG2-CG1 3.91Å; I123-V200 HydrophobicContact CG2-CG2 4.31Å; I123-L266 HydrophobicContact CG2-CD1 3.79Å; I123-A295 HydrophobicContact CD1-CB 4.06Å
124I93.6Very high92Very high2 Ų237.2 Ų37.21%0.0123%0.229CC..Hα-helixtrans-59.9-43.2174.6-67.1168.1000110.3F120 A121 G128 H132 V136 I139 V200 I219 L266F120-I124 HydrophobicContact CD1-CD1 4.1Å; F120-I124 HydrophobicContact CD2-CD1 4.46Å; F120-I124 HydrophobicContact CE1-CD1 3.77Å; F120-I124 HydrophobicContact CE2-CD1 4.14Å; F120-I124 HydrophobicContact CG-CD1 4.44Å; F120-I124 HydrophobicContact CZ-CD1 3.78Å; F120-I124 WeakPolarHBondContact O-CG1 3.44Å; F120-I124 PolarHBondContact O-N 3.49Å; A121-I124 WeakPolarHBondContact O-CB 3.43Å; A121-I124 PolarHBondContact O-N 3.08Å; I124-G128 WeakPolarHBondContact O-CA 3.47Å; I124-G128 PolarHBondContact O-N 3.12Å; I124-H132 HydrophobicContact CG2-CB 3.61Å; I124-V136 HydrophobicContact CB-CG2 4.44Å; I124-V136 HydrophobicContact CG2-CG2 3.8Å; I124-I139 HydrophobicContact CD1-CD1 3.91Å; I124-V200 HydrophobicContact CG1-CG2 4.14Å; I124-I219 HydrophobicContact CD1-CD1 4.04Å; I124-I219 HydrophobicContact CD1-CG1 4.48Å; I124-I219 HydrophobicContact CG1-CD1 4.01Å; I124-I219 HydrophobicContact CG1-CG1 4.35Å; I124-I219 HydrophobicContact CG2-CD1 4.46Å; I124-L266 HydrophobicContact CG1-CD1 4.39Å; I124-L266 HydrophobicContact CG1-CD2 4.41Å; I124-L266 HydrophobicContact CG2-CD2 4.41Å
125V89.9Confident92.1Very high84 Ų8436.7 Ų36.751%0.50922%0.224SC..Hα-helixtrans-69.1-43.7178.1172.70000112A121 G122 I123 V136 R268A121-V125 WeakPolarHBondContact O-CG2 3.3Å; A121-V125 PolarHBondContact O-N 3.06Å; G122-V125 PolarHBondContact O-N 2.74Å; I123-V125 VanDerWaalsContact C-N 3.29Å; I123-V125 PolarHBondContact O-N 3.1Å; V125-V136 HydrophobicContact CG2-CG1 4.3Å; V125-V136 HydrophobicContact CG2-CG2 3.73Å; V125-R268 PolarHBondContact O-NH1 3.19Å
126S85.4Confident92Very high55 Ų5536.2 Ų36.239%0.38522%0.223SC..Hα-helixtrans-81.5-31.8-171.871.60000113.1G122 I123 R268G122-S126 VanDerWaalsContact O-CB 3.23Å; G122-S126 WeakPolarHBondContact O-CB 3.26Å; G122-S126 PolarHBondContact O-N 3.13Å; G122-S126 PolarHBondContact O-OG 3.46Å; I123-S126 PolarHBondContact O-N 3.48Å; I123-S126 PolarHBondContact O-OG 2.97Å; S126-R268 WeakPolarHBondContact O-CD 3.4Å; S126-R268 PolarHBondContact O-NH1 3.49Å
127T88.9Confident91.9Very high7 Ų742.5 Ų42.54%0.04325%0.25CS..Hα-helixtrans-110.6-12.4-179.366.90000113.8I123 L266 N267 R268I123-T127 HydrophobicContact CG2-CG2 4.5Å; I123-T127 WeakPolarHBondContact O-CB 3.45Å; I123-T127 PolarHBondContact O-N 3.17Å; I123-T127 PolarHBondContact O-OG1 3.12Å; T127-L266 CarbonylContact O-C 3.57Å; T127-L266 WeakPolarHBondContact OG1-CB 3.17Å; T127-L266 WeakPolarHBondContact OG1-CD1 3.32Å; T127-N267 PolarHBondContact O-N 3.04Å; T127-R268 WeakPolarHBondContact O-CB 3.31Å; T127-R268 PolarHBondContact O-N 2.59Å
128G91.8Very high92.2Very high1 Ų141.8 Ų41.81%0.0125%0.251CS..  trans-88.7169.5172.300000113.9I124 H132 R268I124-G128 WeakPolarHBondContact O-CA 3.47Å; I124-G128 PolarHBondContact O-N 3.12Å; G128-H132 WeakPolarHBondContact CA-ND1 3.36Å; G128-R268 VanDerWaalsContact O-CZ 3.24Å; G128-R268 PolarHBondContact O-NH1 3.33Å; G128-R268 VanDerWaalsContact O-NH1 3.07Å
129S91.9Very high92.5Very high37 Ų3740 Ų4026%0.25923%0.232SC..  trans-102.4-176.6165.261.80000112.2R131 H132 N267S129-R131 PolarHBondContact O-N 2.87Å; S129-R131 WeakPolarHBondContact OG-CB 3.38Å; S129-H132 PolarHBondContact N-ND1 3.44Å; S129-H132 PolarHBondContact O-N 2.7Å; S129-H132 PolarHBondContact O-ND1 2.85Å; S129-H132 VanDerWaalsContact O-ND1 3.13Å; S129-N267 WeakPolarHBondContact CB-OD1 3.31Å; S129-N267 PolarHBondContact N-OD1 2.95Å; S129-N267 PolarHBondContact OG-OD1 3.4Å
130S91.8Very high92.6Very high122 Ų12241.9 Ų41.985%0.85324%0.24SC*.G310 helixtrans-50.7-25.8175520000113.9H132 G133S130-H132 PolarHBondContact O-N 3.06Å; S130-H132 VanDerWaalsContact O-N 3.12Å; S130-G133 PolarHBondContact O-N 3.46Å
131R93.3Very high92.4Very high64 Ų6448 Ų4824%0.24227%0.269CS..G310 helixtrans-50.2-31.4171.8178.1167.173.1-164.41.6114.3S129 E263 L265 N267 D271S129-R131 PolarHBondContact O-N 2.87Å; S129-R131 WeakPolarHBondContact OG-CB 3.38Å; R131-E263 HydrophobicContact CG-CB 4.34Å; R131-E263 PolarHBondContact NE-O 3.1Å; R131-L265 PolarHBondContact NH2-O 3.06Å; R131-N267 PolarHBondContact NH2-ND2 2.88Å; R131-D271 IonicContact NH1-OD1 2.61Å; R131-D271 IonicContact NH1-OD2 2.65Å; R131-D271 IonicContact NH2-OD1 3.32Å
132H96.4Very high92.4Very high1 Ų150 Ų501%0.00528%0.277CS..G310 helixtrans-99.31.8-171.7-47.590.3000113.3I124 G128 S129 S130 K134 Y135 E263 L265 L266 N267I124-H132 HydrophobicContact CG2-CB 3.61Å; G128-H132 WeakPolarHBondContact CA-ND1 3.36Å; S129-H132 PolarHBondContact N-ND1 3.44Å; S129-H132 PolarHBondContact O-N 2.7Å; S129-H132 PolarHBondContact O-ND1 2.85Å; S129-H132 VanDerWaalsContact O-ND1 3.13Å; S130-H132 PolarHBondContact O-N 3.06Å; S130-H132 VanDerWaalsContact O-N 3.12Å; H132-K134 PolarHBondContact O-N 2.97Å; H132-K134 VanDerWaalsContact O-N 3.11Å; H132-Y135 HydrophobicContact CB-CD2 4.06Å; H132-Y135 PolarHBondContact O-N 3.38Å; H132-E263 PolarHBondContact NE2-O 3.43Å; H132-E263 VanDerWaalsContact NE2-O 3.08Å; H132-L265 PolarHBondContact CE1-O 3.2Å; H132-L265 PolarHBondContact NE2-O 3.22Å; H132-L266 HydrophobicContact CB-CD2 4.4Å; H132-N267 PolarHBondContact CE1-OD1 3.26Å
133G93.4Very high92.6Very high33 Ų3354.8 Ų54.834%0.3429%0.291SS..Hα-helixtrans-59.3-26.4-175.600000114.3S130 V136 K137S130-G133 PolarHBondContact O-N 3.46Å; G133-V136 PolarHBondContact O-N 3.12Å; G133-K137 PolarHBondContact O-N 3.18Å
134K95.1Very high92.9Very high120 Ų12054.7 Ų54.752%0.52229%0.291SS..Hα-helixtrans-60.4-43.5174.369.4178.8-174.8174.30112.1H132 V136 K137 D138H132-K134 PolarHBondContact O-N 2.97Å; H132-K134 VanDerWaalsContact O-N 3.11Å; K134-V136 VanDerWaalsContact C-N 3.29Å; K134-V136 PolarHBondContact O-N 3.2Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 2.92Å; K134-D138 PolarHBondContact O-N 3.29Å; K134-D138 VanDerWaalsContact O-OD1 3.12Å
135Y95.6Very high93.1Very high22 Ų2255.1 Ų55.19%0.08629%0.293CS..Hα-helixtrans-64.7-37.1-177.4-60.7-61.7000111.5H132 K137 D138 I139 M144 I219 N264H132-Y135 HydrophobicContact CB-CD2 4.06Å; H132-Y135 PolarHBondContact O-N 3.38Å; Y135-K137 VanDerWaalsContact C-N 3.32Å; Y135-K137 PolarHBondContact O-N 3.48Å; Y135-D138 PolarHBondContact O-N 3.08Å; Y135-I139 VanDerWaalsContact O-CD1 3.23Å; Y135-I139 WeakPolarHBondContact O-CD1 3.27Å; Y135-I139 WeakPolarHBondContact O-CG1 3.32Å; Y135-I139 PolarHBondContact O-N 3.13Å; Y135-M144 HydrophobicContact CD1-CE 3.44Å; Y135-M144 VanDerWaalsContact CD1-CE 3.44Å; Y135-M144 HydrophobicContact CD1-SD 3.98Å; Y135-M144 HydrophobicContact CE1-CE 3.99Å; Y135-M144 HydrophobicContact CG-CE 4.5Å; Y135-I219 HydrophobicContact CD2-CD1 3.22Å; Y135-I219 HydrophobicContact CE1-CG2 4.35Å; Y135-I219 HydrophobicContact CE2-CD1 3.44Å; Y135-I219 VanDerWaalsContact CE2-CD1 3.44Å; Y135-I219 HydrophobicContact CG-CD1 3.83Å; Y135-N264 PolarHBondContact OH-OD1 2.73Å
136V93.3Very high93.4Very high26 Ų2651.1 Ų51.116%0.15827%0.268CS..Hα-helixtrans-61.4-42.9174.8-176.70000110.9I124 V125 G133 K134 I139 E140I124-V136 HydrophobicContact CB-CG2 4.44Å; I124-V136 HydrophobicContact CG2-CG2 3.8Å; V125-V136 HydrophobicContact CG2-CG1 4.3Å; V125-V136 HydrophobicContact CG2-CG2 3.73Å; G133-V136 PolarHBondContact O-N 3.12Å; K134-V136 VanDerWaalsContact C-N 3.29Å; K134-V136 PolarHBondContact O-N 3.2Å; V136-I139 PolarHBondContact O-N 2.98Å; V136-E140 WeakPolarHBondContact O-CG 3.28Å; V136-E140 PolarHBondContact O-N 3.14Å; V136-E140 VanDerWaalsContact O-N 3.07Å
137K93.1Very high94Very high132 Ų13248.5 Ų48.557%0.57425%0.25SS*.Hα-helixtrans-64.5-43.6175.6-65.6177.9178.6-175.60111.7G133 K134 Y135 I139 E140 H141G133-K137 PolarHBondContact O-N 3.18Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 2.92Å; Y135-K137 VanDerWaalsContact C-N 3.32Å; Y135-K137 PolarHBondContact O-N 3.48Å; K137-I139 VanDerWaalsContact C-N 3.26Å; K137-I139 PolarHBondContact O-N 3.34Å; K137-E140 WeakPolarHBondContact O-CB 3.32Å; K137-E140 PolarHBondContact O-N 3.44Å; K137-H141 PolarHBondContact O-N 3.09Å; K137-H141 VanDerWaalsContact O-N 3.14Å; K137-H141 PolarHBondContact O-ND1 3.19Å
138D95.8Very high94.4Very high45 Ų4549.4 Ų49.424%0.24125%0.253CS..Hα-helixtrans-62.7-35.7179.6-56.9-11.2000111.1K134 Y135 H141 M142 E143 M144K134-D138 PolarHBondContact O-N 3.29Å; K134-D138 VanDerWaalsContact O-OD1 3.12Å; Y135-D138 PolarHBondContact O-N 3.08Å; D138-H141 PolarHBondContact O-N 2.85Å; D138-M142 PolarHBondContact O-N 2.97Å; D138-E143 HydrophobicContact CB-CB 4.26Å; D138-E143 PolarHBondContact O-N 2.87Å; D138-M144 HydrophobicContact CB-CB 3.77Å; D138-M144 PolarHBondContact O-N 3.2Å; D138-M144 VanDerWaalsContact O-N 3.09Å
139I95.1Very high94.6Very high3 Ų349.3 Ų49.32%0.01525%0.253CS..Hα-helixtrans-67-44.2174.4-63.6155.5000111.2F78 F120 A121 I124 Y135 V136 K137 H141 M142 M144F78-I139 WeakPolarHBondContact CE1-O 3.35Å; F120-I139 HydrophobicContact CD1-CD1 3.4Å; F120-I139 HydrophobicContact CD1-CG1 3.94Å; F120-I139 HydrophobicContact CE1-CD1 3.36Å; F120-I139 HydrophobicContact CE1-CG1 3.73Å; A121-I139 HydrophobicContact CB-CD1 3.77Å; A121-I139 HydrophobicContact CB-CG2 4.23Å; I124-I139 HydrophobicContact CD1-CD1 3.91Å; Y135-I139 VanDerWaalsContact O-CD1 3.23Å; Y135-I139 WeakPolarHBondContact O-CD1 3.27Å; Y135-I139 WeakPolarHBondContact O-CG1 3.32Å; Y135-I139 PolarHBondContact O-N 3.13Å; V136-I139 PolarHBondContact O-N 2.98Å; K137-I139 VanDerWaalsContact C-N 3.26Å; K137-I139 PolarHBondContact O-N 3.34Å; I139-H141 PolarHBondContact O-N 3.13Å; I139-M142 PolarHBondContact O-N 3.42Å; I139-M144 HydrophobicContact CG1-CB 4.1Å; I139-M144 HydrophobicContact CG1-CG 4.12Å; I139-M144 HydrophobicContact CG1-SD 4.35Å
140E91.3Very high94.8Very high79 Ų7948 Ų4837%0.36924%0.243SC..Hα-helixtrans-59.4-32.5178.4-74.2171.8174.500112.3K85 V136 K137K85-E140 WeakPolarHBondContact CE-OE1 3.41Å; K85-E140 IonicContact NZ-OE1 2.63Å; K85-E140 PolarHBondContact NZ-OE1 3.47Å; K85-E140 IonicContact NZ-OE2 2.76Å; V136-E140 WeakPolarHBondContact O-CG 3.28Å; V136-E140 PolarHBondContact O-N 3.14Å; V136-E140 VanDerWaalsContact O-N 3.07Å; K137-E140 WeakPolarHBondContact O-CB 3.32Å; K137-E140 PolarHBondContact O-N 3.44Å
141H92.1Very high95.1Very high129 Ų12944.6 Ų44.660%0.59722%0.217SC*.THydrogen-bonded Turntrans-93.45.4177.3-60.792.8000113.9K137 D138 I139 E143K137-H141 PolarHBondContact O-N 3.09Å; K137-H141 VanDerWaalsContact O-N 3.14Å; K137-H141 PolarHBondContact O-ND1 3.19Å; D138-H141 PolarHBondContact O-N 2.85Å; I139-H141 PolarHBondContact O-N 3.13Å; H141-E143 HydrophobicContact CB-CG 4.05Å; H141-E143 PolarHBondContact O-N 2.99Å
142M93.1Very high95.3Very high52 Ų5241.7 Ų41.726%0.25621%0.206SC..THydrogen-bonded Turntrans55.522.7-173.2-58.5-167.971.400114.8F71 V74 K75 F78 D138 I139 M144 F145F71-M142 HydrophobicContact CE2-CE 4.48Å; V74-M142 HydrophobicContact CG1-CE 4.42Å; K75-M142 HydrophobicContact CB-SD 4.41Å; K75-M142 HydrophobicContact CG-CE 3.7Å; K75-M142 HydrophobicContact CG-SD 4Å; F78-M142 HydrophobicContact CB-CG 4.31Å; F78-M142 HydrophobicContact CB-SD 3.79Å; F78-M142 HydrophobicContact CD1-CG 3.49Å; F78-M142 VanDerWaalsContact CD1-CG 3.49Å; F78-M142 HydrophobicContact CD1-SD 4.05Å; F78-M142 HydrophobicContact CD2-CE 4.17Å; F78-M142 HydrophobicContact CD2-CG 3.94Å; F78-M142 HydrophobicContact CD2-SD 3.57Å; F78-M142 VanDerWaalsContact CD2-SD 3.57Å; F78-M142 HydrophobicContact CE1-CG 3.66Å; F78-M142 HydrophobicContact CE2-CE 4.31Å; F78-M142 HydrophobicContact CE2-CG 4.1Å; F78-M142 HydrophobicContact CE2-SD 4.13Å; F78-M142 HydrophobicContact CG-CG 3.65Å; F78-M142 HydrophobicContact CG-SD 3.52Å; F78-M142 VanDerWaalsContact CG-SD 3.52Å; F78-M142 HydrophobicContact CZ-CG 3.96Å; D138-M142 PolarHBondContact O-N 2.97Å; I139-M142 PolarHBondContact O-N 3.42Å; M142-M144 VanDerWaalsContact C-N 3.28Å; M142-F145 HydrophobicContact CE-CD2 4.16Å; M142-F145 HydrophobicContact CE-CE2 4.17Å
143E94.3Very high95.3Very high129 Ų12945.5 Ų45.560%0.60323%0.226SC*.SBendtrans-75.5-26.7170.3-62.1-178.6166.800110.8D138 H141D138-E143 HydrophobicContact CB-CB 4.26Å; D138-E143 PolarHBondContact O-N 2.87Å; H141-E143 HydrophobicContact CB-CG 4.05Å; H141-E143 PolarHBondContact O-N 2.99Å
144M95.6Very high95.5Very high6 Ų646.3 Ų46.33%0.0323%0.226CC..SBendtrans-119.3134.5170.9-177169-61.500110.1F120 Y135 D138 I139 M142 H198F120-M144 HydrophobicContact CE1-CG 4.04Å; F120-M144 HydrophobicContact CE1-SD 3.78Å; F120-M144 HydrophobicContact CZ-CG 4.41Å; F120-M144 HydrophobicContact CZ-SD 3.83Å; Y135-M144 HydrophobicContact CD1-CE 3.44Å; Y135-M144 VanDerWaalsContact CD1-CE 3.44Å; Y135-M144 HydrophobicContact CD1-SD 3.98Å; Y135-M144 HydrophobicContact CE1-CE 3.99Å; Y135-M144 HydrophobicContact CG-CE 4.5Å; D138-M144 HydrophobicContact CB-CB 3.77Å; D138-M144 PolarHBondContact O-N 3.2Å; D138-M144 VanDerWaalsContact O-N 3.09Å; I139-M144 HydrophobicContact CG1-CB 4.1Å; I139-M144 HydrophobicContact CG1-CG 4.12Å; I139-M144 HydrophobicContact CG1-SD 4.35Å; M142-M144 VanDerWaalsContact C-N 3.28Å; M144-H198 HydrophobicContact CE-CB 4.5Å; M144-H198 VanDerWaalsContact CE-CE1 3.48Å; M144-H198 WeakPolarHBondContact CE-CE1 3.49Å; M144-H198 WeakPolarHBondContact CE-NE2 3.25Å; M144-H198 HydrophobicContact CG-CB 4.06Å; M144-H198 HydrophobicContact SD-CB 3.91Å
145F97.4Very high95.5Very high11 Ų1142.7 Ų42.75%0.04821%0.211CC..  trans-126.1125.6171.2-155.2-89.4000109.2V74 K112 N116 M142 N191 T195 A196 T197 H198V74-F145 HydrophobicContact CG1-CE2 3.99Å; V74-F145 HydrophobicContact CG1-CZ 4.24Å; K112-F145 HydrophobicContact CG-CZ 4.45Å; N116-F145 HydrophobicContact CB-CD1 4.34Å; N116-F145 HydrophobicContact CB-CD2 4.27Å; N116-F145 HydrophobicContact CB-CE1 3.92Å; N116-F145 HydrophobicContact CB-CE2 3.82Å; N116-F145 HydrophobicContact CB-CZ 3.62Å; N116-F145 WeakPolarHBondContact OD1-CA 3.21Å; M142-F145 HydrophobicContact CE-CD2 4.16Å; M142-F145 HydrophobicContact CE-CE2 4.17Å; F145-N191 HydrophobicContact CD1-CB 4.45Å; F145-N191 HydrophobicContact CE1-CB 4.07Å; F145-N191 WeakPolarHBondContact CE1-ND2 3.33Å; F145-T195 HydrophobicContact CD1-CG2 3.56Å; F145-T195 HydrophobicContact CE1-CG2 3.65Å; F145-T195 HydrophobicContact CG-CG2 4.18Å; F145-T195 HydrophobicContact CZ-CG2 4.37Å; F145-A196 CarbonylContact O-C 3.53Å; F145-A196 VanDerWaalsContact O-CA 3.31Å; F145-A196 WeakPolarHBondContact O-CA 3.5Å; F145-T197 PolarHBondContact N-OG1 2.87Å; F145-T197 PolarHBondContact O-N 3.17Å; F145-T197 PolarHBondContact O-OG1 3.26Å; F145-H198 PolarHBondContact O-N 2.9Å
146G97.7Very high95.4Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-114.9167.1-16400000115.5N116 F120 N191 H198N116-G146 PolarHBondContact OD1-N 3.45Å; F120-G146 VanDerWaalsContact CD1-CA 3.48Å; G146-N191 PolarHBondContact O-ND2 3.38Å; G146-H198 VanDerWaalsContact CA-O 3.3Å; G146-H198 WeakPolarHBondContact CA-O 3.38Å
147C97.7Very high95.2Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-143.9160.5170.6620000111.7F120 V189 G190 N191 A196 H198 A199 V200F120-C147 WeakPolarHBondContact CD2-O 3.49Å; C147-V189 HydrophobicContact CB-CG1 3.73Å; C147-G190 WeakPolarHBondContact CB-O 3.18Å; C147-N191 HydrophobicContact CB-CB 4.13Å; C147-A196 HydrophobicContact CB-CB 3.87Å; C147-H198 PolarHBondContact N-O 2.79Å; C147-H198 VanDerWaalsContact N-O 3.15Å; C147-H198 PolarHBondContact SG-O 3.19Å; C147-A199 WeakPolarHBondContact O-CA 3.39Å; C147-A199 VanDerWaalsContact SG-CB 3.5Å; C147-V200 PolarHBondContact O-N 3.45Å
148F95.8Very high95.2Very high25 Ų2543.9 Ų43.911%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-106.3107.9179.9177.8-89.9000110.5M119 I123 L150 V189 F202 L296M119-F148 HydrophobicContact CE-CB 4.23Å; M119-F148 HydrophobicContact CE-CD1 3.37Å; M119-F148 HydrophobicContact CE-CD2 3.78Å; M119-F148 HydrophobicContact CE-CE1 3.47Å; M119-F148 VanDerWaalsContact CE-CE1 3.47Å; M119-F148 HydrophobicContact CE-CE2 3.85Å; M119-F148 HydrophobicContact CE-CG 3.53Å; M119-F148 HydrophobicContact CE-CZ 3.73Å; M119-F148 HydrophobicContact CG-CB 3.98Å; M119-F148 HydrophobicContact CG-CD2 3.94Å; M119-F148 HydrophobicContact CG-CG 4.01Å; M119-F148 HydrophobicContact SD-CB 3.53Å; M119-F148 VanDerWaalsContact SD-CB 3.53Å; M119-F148 HydrophobicContact SD-CD1 3.8Å; M119-F148 HydrophobicContact SD-CD2 4.02Å; M119-F148 HydrophobicContact SD-CE1 4.49Å; M119-F148 HydrophobicContact SD-CG 3.52Å; M119-F148 VanDerWaalsContact SD-CG 3.52Å; I123-F148 HydrophobicContact CD1-CE2 3.95Å; I123-F148 HydrophobicContact CG1-CD2 3.99Å; I123-F148 HydrophobicContact CG1-CE2 3.88Å; F148-L150 HydrophobicContact CD1-CB 4.11Å; F148-L150 HydrophobicContact CE1-CB 3.37Å; F148-L150 HydrophobicContact CE1-CD2 3.96Å; F148-L150 HydrophobicContact CE1-CG 4.33Å; F148-L150 HydrophobicContact CZ-CB 3.91Å; F148-L150 HydrophobicContact CZ-CD2 4.07Å; F148-V189 VanDerWaalsContact O-CG1 3.29Å; F148-V189 WeakPolarHBondContact O-CG1 3.22Å; F148-F202 AromaticContact CD2-CE2 3.89Å; F148-F202 HydrophobicContact CD2-CE2 3.89Å; F148-F202 HydrophobicContact CE1-CE2 4.33Å; F148-F202 HydrophobicContact CE2-CD2 4.24Å; F148-F202 AromaticContact CE2-CE2 3.19Å; F148-F202 HydrophobicContact CE2-CE2 3.19Å; F148-F202 AromaticContact CE2-CZ 3.6Å; F148-F202 HydrophobicContact CE2-CZ 3.6Å; F148-F202 HydrophobicContact CZ-CD2 4.2Å; F148-F202 AromaticContact CZ-CE2 3.44Å; F148-F202 HydrophobicContact CZ-CE2 3.44Å; F148-F202 VanDerWaalsContact CZ-CE2 3.44Å; F148-F202 AromaticContact CZ-CZ 3.83Å; F148-F202 HydrophobicContact CZ-CZ 3.83Å; F148-L296 HydrophobicContact CZ-CD2 4.47Å
149A97.4Very high94.9Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-109.979.5-171.400000111.7K186 V189 M192 A199 V200 V201 F202A149-K186 HydrophobicContact CB-CB 4.37Å; A149-K186 HydrophobicContact CB-CD 4.37Å; A149-K186 HydrophobicContact CB-CG 4.11Å; A149-K186 WeakPolarHBondContact O-CE 3.44Å; A149-V189 HydrophobicContact CB-CG1 4.19Å; A149-V189 HydrophobicContact CB-CG2 3.98Å; A149-M192 HydrophobicContact CB-CE 3.75Å; A149-A199 HydrophobicContact CB-CB 4.33Å; A149-V200 WeakPolarHBondContact CA-O 3.42Å; A149-V200 WeakPolarHBondContact CB-O 3.41Å; A149-V200 PolarHBondContact N-O 3Å; A149-V201 HydrophobicContact CB-CG2 4.26Å; A149-F202 PolarHBondContact O-N 3.32Å
150L95.8Very high94.7Very high10 Ų1049.1 Ų49.15%0.05226%0.258CS..  trans-96.4-62.1173.3174.957.4000111.7F148 T159 M162 K186 F202 L215 L293F148-L150 HydrophobicContact CD1-CB 4.11Å; F148-L150 HydrophobicContact CE1-CB 3.37Å; F148-L150 HydrophobicContact CE1-CD2 3.96Å; F148-L150 HydrophobicContact CE1-CG 4.33Å; F148-L150 HydrophobicContact CZ-CB 3.91Å; F148-L150 HydrophobicContact CZ-CD2 4.07Å; L150-T159 HydrophobicContact CD1-CG2 4.38Å; L150-T159 HydrophobicContact CD2-CG2 3.97Å; L150-T159 HydrophobicContact CG-CG2 4.32Å; L150-M162 HydrophobicContact CD1-CE 4.34Å; L150-M162 HydrophobicContact CD1-CG 4.41Å; L150-M162 HydrophobicContact CG-CE 4.4Å; L150-M162 VanDerWaalsContact O-SD 3.34Å; L150-K186 PolarHBondContact O-NZ 3.11Å; L150-F202 HydrophobicContact CB-CD2 3.98Å; L150-F202 HydrophobicContact CB-CG 4.34Å; L150-F202 HydrophobicContact CD1-CB 3.62Å; L150-F202 HydrophobicContact CD1-CD1 4.07Å; L150-F202 HydrophobicContact CD1-CD2 4.2Å; L150-F202 HydrophobicContact CD1-CG 3.69Å; L150-L215 HydrophobicContact CD1-CD2 3.69Å; L150-L293 HydrophobicContact CD2-CD2 4.23Å
151T96.7Very high94.8Very high49 Ų4947 Ų4730%0.30125%0.254SS..  trans-58.9137.8-173.5-58.40000112.5K186 F187T151-K186 VanDerWaalsContact O-CA 3.31Å; T151-K186 WeakPolarHBondContact O-CA 3.43Å; T151-K186 WeakPolarHBondContact O-CD 3.33Å; T151-F187 PolarHBondContact O-N 3.13Å
152E98.4Very high95.1Very high3 Ų341 Ų411%0.01423%0.226CC..BIsolated β-bridgetrans-112.6162.5173.3-71.1173.4-176.400110.3S154 H155 M162 R163 T164 A185 K186E152-S154 PolarHBondContact O-N 2.9Å; E152-H155 HydrophobicContact CB-CB 4.38Å; E152-H155 PolarHBondContact N-O 3.18Å; E152-H155 CarbonylContact O-C 3.49Å; E152-H155 PolarHBondContact O-N 3.4Å; E152-H155 VanDerWaalsContact O-O 3.04Å; E152-M162 HydrophobicContact CB-SD 3.93Å; E152-M162 HydrophobicContact CG-SD 3.71Å; E152-M162 WeakPolarHBondContact OE2-CA 3.43Å; E152-R163 PolarHBondContact OE1-N 3.04Å; E152-R163 PolarHBondContact OE2-N 3.18Å; E152-T164 VanDerWaalsContact OE1-CB 3.24Å; E152-T164 WeakPolarHBondContact OE1-CB 3.32Å; E152-T164 PolarHBondContact OE1-N 3.39Å; E152-T164 PolarHBondContact OE1-OG1 3.49Å; E152-A185 CarbonylContact C-O 3.5Å; E152-A185 WeakPolarHBondContact CA-O 3.19Å; E152-K186 HydrophobicContact CG-CD 3.84Å; E152-K186 IonicContact OE1-NZ 2.81Å; E152-K186 PolarHBondContact OE1-NZ 2.71Å
153L97.4Very high95.3Very high81 Ų8142.2 Ų42.242%0.42423%0.228SC..SBendtrans-55.1-41.1-179.4-178.365.6000112.1F182 E183 A185 F187L153-F182 HydrophobicContact CD2-CD2 3.75Å; L153-F182 HydrophobicContact CD2-CE2 4.1Å; L153-F182 WeakPolarHBondContact CD2-O 3.48Å; L153-E183 WeakPolarHBondContact CB-O 3.43Å; L153-E183 PolarHBondContact N-O 2.98Å; L153-A185 PolarHBondContact N-O 2.68Å; L153-F187 HydrophobicContact CB-CB 4.3Å; L153-F187 HydrophobicContact CB-CG 4.45Å; L153-F187 HydrophobicContact CD1-CD1 4.01Å; L153-F187 HydrophobicContact CD1-CD2 3.95Å; L153-F187 HydrophobicContact CD1-CE1 4.16Å; L153-F187 HydrophobicContact CD1-CE2 4.1Å; L153-F187 HydrophobicContact CD1-CG 3.92Å; L153-F187 HydrophobicContact CD1-CZ 4.21Å
154S96.6Very high95.5Very high51 Ų5136 Ų3636%0.35720%0.199SC..SBendtrans-94-13.7178.260.20000115E152 E183E152-S154 PolarHBondContact O-N 2.9Å; S154-E183 PolarHBondContact N-O 3.15Å; S154-E183 VanDerWaalsContact N-O 3.12Å; S154-E183 PolarHBondContact OG-O 3.12Å
155H95.8Very high95.7Very high43 Ų4337.2 Ų37.220%0.19921%0.207CC..  trans-131.2116.1-174.7-64-75.6000112.3E152 A161 M162E152-H155 HydrophobicContact CB-CB 4.38Å; E152-H155 PolarHBondContact N-O 3.18Å; E152-H155 CarbonylContact O-C 3.49Å; E152-H155 PolarHBondContact O-N 3.4Å; E152-H155 VanDerWaalsContact O-O 3.04Å; H155-A161 PolarHBondContact CD2-O 3.44Å; H155-A161 PolarHBondContact NE2-O 3.08Å; H155-M162 HydrophobicContact CB-CE 3.87Å; H155-M162 HydrophobicContact CB-SD 3.66Å; H155-M162 WeakPolarHBondContact O-CE 3.27Å
156G92.9Very high95.7Very high38 Ų3836.7 Ų36.739%0.39220%0.204SC..SBendtrans-115.3-74.2168.600000111.5N158 T159G156-N158 PolarHBondContact O-N 3.42Å; G156-T159 VanDerWaalsContact O-CG2 3.31Å; G156-T159 WeakPolarHBondContact O-CG2 3.49Å
157S89.6Confident95.8Very high77 Ų7738.7 Ų38.754%0.53822%0.217SC..SBendtrans-65.5-38.5-175.6-53.40000113.7T159S157-T159 PolarHBondContact O-N 2.85Å; S157-T159 VanDerWaalsContact O-N 3.13Å
158N91.7Very high95.8Very high91 Ų9139 Ų3949%0.48722%0.218SC..  trans-87.773178-172.55.2000111.1G156 R160 A161G156-N158 PolarHBondContact O-N 3.42Å; N158-R160 PolarHBondContact O-N 2.81Å; N158-A161 HydrophobicContact CB-CB 4.47Å; N158-A161 WeakPolarHBondContact ND2-CB 3.48Å; N158-A161 PolarHBondContact O-N 3.09Å; N158-A161 VanDerWaalsContact O-N 3.1Å
159T90Very high95.9Very high23 Ų2339.5 Ų39.514%0.14122%0.222CC..G310 helixtrans-66.1-16.9-177.156.30000113.9L150 G156 S157 A161 M162 F289L150-T159 HydrophobicContact CD1-CG2 4.38Å; L150-T159 HydrophobicContact CD2-CG2 3.97Å; L150-T159 HydrophobicContact CG-CG2 4.32Å; G156-T159 VanDerWaalsContact O-CG2 3.31Å; G156-T159 WeakPolarHBondContact O-CG2 3.49Å; S157-T159 PolarHBondContact O-N 2.85Å; S157-T159 VanDerWaalsContact O-N 3.13Å; T159-A161 VanDerWaalsContact C-N 3.28Å; T159-A161 PolarHBondContact O-N 3.23Å; T159-M162 HydrophobicContact CG2-CE 3.93Å; T159-M162 WeakPolarHBondContact O-CG 3.4Å; T159-F289 VanDerWaalsContact OG1-CZ 3.31Å; T159-F289 WeakPolarHBondContact OG1-CZ 3.32Å
160R91.2Very high95.9Very high134 Ų13442 Ų4251%0.50624%0.238SC..G310 helixtrans-68.7-29173.1-66.9-176.5176.1-157.3-4.8112.7N158 Q204 N286 F289N158-R160 PolarHBondContact O-N 2.81Å; R160-Q204 PolarHBondContact O-NE2 3.43Å; R160-N286 PolarHBondContact NH1-OD1 3.38Å; R160-N286 PolarHBondContact NH2-OD1 2.72Å; R160-F289 HydrophobicContact CB-CZ 4.47Å; R160-F289 HydrophobicContact CG-CD2 4.35Å; R160-F289 HydrophobicContact CG-CE1 3.84Å; R160-F289 HydrophobicContact CG-CE2 3.64Å; R160-F289 HydrophobicContact CG-CZ 3.33Å
161A94.5Very high96Very high34 Ų3446.7 Ų46.728%0.28127%0.272SS..G310 helixtrans-948.7-175.200000113.8H155 N158 T159 R163H155-A161 PolarHBondContact CD2-O 3.44Å; H155-A161 PolarHBondContact NE2-O 3.08Å; N158-A161 HydrophobicContact CB-CB 4.47Å; N158-A161 WeakPolarHBondContact ND2-CB 3.48Å; N158-A161 PolarHBondContact O-N 3.09Å; N158-A161 VanDerWaalsContact O-N 3.1Å; T159-A161 VanDerWaalsContact C-N 3.28Å; T159-A161 PolarHBondContact O-N 3.23Å; A161-R163 WeakPolarHBondContact O-CG 3.29Å; A161-R163 PolarHBondContact O-N 3.35Å
162M96.8Very high96.1Very high3 Ų346.7 Ų46.72%0.01527%0.274CS..  trans-53.1140.1172-62.5-70.8168.100109.9L150 E152 H155 T159 Q204 L215L150-M162 HydrophobicContact CD1-CE 4.34Å; L150-M162 HydrophobicContact CD1-CG 4.41Å; L150-M162 HydrophobicContact CG-CE 4.4Å; L150-M162 VanDerWaalsContact O-SD 3.34Å; E152-M162 HydrophobicContact CB-SD 3.93Å; E152-M162 HydrophobicContact CG-SD 3.71Å; E152-M162 WeakPolarHBondContact OE2-CA 3.43Å; H155-M162 HydrophobicContact CB-CE 3.87Å; H155-M162 HydrophobicContact CB-SD 3.66Å; H155-M162 WeakPolarHBondContact O-CE 3.27Å; T159-M162 HydrophobicContact CG2-CE 3.93Å; T159-M162 WeakPolarHBondContact O-CG 3.4Å; M162-Q204 WeakPolarHBondContact O-CG 3.22Å; M162-Q204 PolarHBondContact O-NE2 3.04Å; M162-L215 HydrophobicContact CB-CD1 3.9Å; M162-L215 HydrophobicContact CG-CD1 4.29Å
163R98.1Very high96Very high78 Ų7850.7 Ų50.729%0.29429%0.292SS..  trans-109.5-16.2-166.1-63.9-176.957.5-158-14.4113.8E152 A161 T165 P180 D181 E183 A184E152-R163 PolarHBondContact OE1-N 3.04Å; E152-R163 PolarHBondContact OE2-N 3.18Å; A161-R163 WeakPolarHBondContact O-CG 3.29Å; A161-R163 PolarHBondContact O-N 3.35Å; R163-T165 WeakPolarHBondContact O-CG2 3.42Å; R163-T165 PolarHBondContact O-N 2.94Å; R163-P180 HydrophobicContact CB-CG 4.1Å; R163-P180 WeakPolarHBondContact O-CD 3.34Å; R163-D181 IonicContact CZ-OD1 3.4Å; R163-D181 IonicContact CZ-OD2 3.37Å; R163-D181 IonicContact NH1-OD1 3.38Å; R163-D181 PolarHBondContact NH1-OD1 2.93Å; R163-D181 IonicContact NH1-OD2 2.76Å; R163-D181 PolarHBondContact NH1-OD2 2.99Å; R163-D181 IonicContact NH2-OD1 3Å; R163-D181 IonicContact NH2-OD2 2.73Å; R163-D181 PolarHBondContact NH2-OD2 3.48Å; R163-E183 IonicContact NH1-OE2 2.58Å; R163-E183 PolarHBondContact NH1-OE2 2.92Å; R163-A184 HydrophobicContact CB-CB 3.74Å
164T98.7Very high96.1Very high0 Ų049.2 Ų49.20%028%0.283CS..  trans-56.3131.2171.3-56.50000109.2E152 I177 N178 A184 K186 V201 A203 Q204 F255E152-T164 VanDerWaalsContact OE1-CB 3.24Å; E152-T164 WeakPolarHBondContact OE1-CB 3.32Å; E152-T164 PolarHBondContact OE1-N 3.39Å; E152-T164 PolarHBondContact OE1-OG1 3.49Å; T164-I177 HydrophobicContact CG2-CG2 4.14Å; T164-N178 WeakPolarHBondContact CA-O 3.21Å; T164-A184 PolarHBondContact OG1-O 3.01Å; T164-K186 WeakPolarHBondContact OG1-CE 3.42Å; T164-K186 PolarHBondContact OG1-NZ 3.3Å; T164-V201 HydrophobicContact CG2-CG1 4.22Å; T164-A203 HydrophobicContact CG2-CB 3.88Å; T164-A203 CarbonylContact O-C 3.57Å; T164-A203 VanDerWaalsContact O-CA 3.24Å; T164-A203 WeakPolarHBondContact O-CA 3.46Å; T164-A203 WeakPolarHBondContact O-CB 3.37Å; T164-Q204 PolarHBondContact O-N 2.99Å; T164-F255 HydrophobicContact CG2-CD2 4.34Å
165T98.8Very high96.2Very high30 Ų3046.8 Ų46.818%0.18427%0.267CS..EExtended strand (participates in β ladder)trans-109154.3-178.464.20000111.7R163 I177 N178 Q204 Y206R163-T165 WeakPolarHBondContact O-CG2 3.42Å; R163-T165 PolarHBondContact O-N 2.94Å; T165-I177 WeakPolarHBondContact O-CA 3.24Å; T165-N178 PolarHBondContact N-O 3.47Å; T165-N178 PolarHBondContact O-N 2.79Å; T165-Q204 CarbonylContact C-O 3.52Å; T165-Q204 WeakPolarHBondContact CA-O 3.43Å; T165-Y206 HydrophobicContact CG2-CD2 4.32Å; T165-Y206 HydrophobicContact CG2-CE2 3.8Å
166A98.8Very high96.4Very high0 Ų045.8 Ų45.80%026%0.263CS..EExtended strand (participates in β ladder)trans-131.597.9169.300000108.4F175 V176 I177 A203 Q204 L205 Y206 F218A166-F175 HydrophobicContact CB-CD1 4.42Å; A166-V176 WeakPolarHBondContact CA-O 3.14Å; A166-I177 HydrophobicContact CB-CD1 3.47Å; A166-I177 VanDerWaalsContact CB-CD1 3.47Å; A166-A203 HydrophobicContact CB-CB 3.88Å; A166-Q204 PolarHBondContact N-O 3.14Å; A166-L205 WeakPolarHBondContact O-CA 3.37Å; A166-Y206 PolarHBondContact O-N 3.41Å; A166-F218 HydrophobicContact CB-CD1 4.47Å; A166-F218 HydrophobicContact CB-CD2 4.1Å; A166-F218 HydrophobicContact CB-CE1 3.84Å; A166-F218 HydrophobicContact CB-CE2 3.43Å; A166-F218 VanDerWaalsContact CB-CE2 3.43Å; A166-F218 HydrophobicContact CB-CZ 3.27Å
167T98.7Very high96.6Very high42 Ų4244 Ų4426%0.25825%0.245SC..EExtended strand (participates in β ladder)trans-97.5125-177.3-560000110F175 V176T167-F175 WeakPolarHBondContact O-CA 3.23Å; T167-V176 PolarHBondContact N-O 3.13Å; T167-V176 PolarHBondContact O-N 3.21Å
168Y98.8Very high97.1Very high6 Ų641.8 Ų41.82%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-78.3131.6-179.8-173.3-115.7000112.3P170 E174 F175 Y206 P208 R262 V272 P274 G276Y168-P170 HydrophobicContact CD1-CG 3.98Å; Y168-P170 HydrophobicContact CE1-CB 4.09Å; Y168-P170 HydrophobicContact CE1-CG 3.84Å; Y168-E174 WeakPolarHBondContact CD2-O 3.36Å; Y168-F175 HydrophobicContact CD2-CD1 4.02Å; Y168-F175 HydrophobicContact CD2-CD2 4.4Å; Y168-F175 AromaticContact CD2-CE1 3.77Å; Y168-F175 HydrophobicContact CD2-CE1 3.77Å; Y168-F175 HydrophobicContact CD2-CE2 4.16Å; Y168-F175 HydrophobicContact CD2-CG 4.33Å; Y168-F175 AromaticContact CD2-CZ 3.83Å; Y168-F175 HydrophobicContact CD2-CZ 3.83Å; Y168-F175 HydrophobicContact CG-CD1 4.44Å; Y168-F175 HydrophobicContact CG-CE1 4.07Å; Y168-F175 HydrophobicContact CG-CZ 4.42Å; Y168-Y206 PolarHBondContact N-O 2.99Å; Y168-P208 HydrophobicContact CD1-CG 3.99Å; Y168-R262 HydrophobicContact CD2-CG 4.43Å; Y168-R262 HydrophobicContact CE2-CB 3.9Å; Y168-R262 HydrophobicContact CE2-CG 3.63Å; Y168-R262 WeakPolarHBondContact OH-CD 3.15Å; Y168-V272 HydrophobicContact CD1-CG1 3.61Å; Y168-V272 HydrophobicContact CD2-CG1 4.27Å; Y168-V272 HydrophobicContact CE1-CG1 3.86Å; Y168-V272 HydrophobicContact CE2-CG1 4.5Å; Y168-V272 HydrophobicContact CG-CG1 3.84Å; Y168-P274 WeakPolarHBondContact OH-CA 3.42Å; Y168-P274 PolarHBondContact OH-O 3.44Å; Y168-G276 VanDerWaalsContact CE1-CA 3.43Å
169D98.3Very high97.4Very high37 Ų3737.9 Ų37.920%0.19821%0.207CC..EExtended strand (participates in β ladder)trans-113.1103.3175.6-177.2-8.4000109.6S171 Q173 E174 R259D169-S171 PolarHBondContact O-N 2.98Å; D169-S171 WeakPolarHBondContact OD1-CB 3.42Å; D169-S171 PolarHBondContact OD1-N 2.83Å; D169-S171 PolarHBondContact OD1-OG 3.32Å; D169-Q173 WeakPolarHBondContact O-CA 3.41Å; D169-Q173 PolarHBondContact O-N 2.8Å; D169-E174 PolarHBondContact N-O 3.23Å; D169-E174 PolarHBondContact O-N 3.08Å; D169-R259 IonicContact OD2-CZ 3.5Å; D169-R259 IonicContact OD2-NH1 3Å; D169-R259 PolarHBondContact OD2-NH1 3.25Å; D169-R259 IonicContact OD2-NH2 3Å; D169-R259 PolarHBondContact OD2-NH2 2.9Å
170P97.2Very high97.8Very high51 Ų5139.8 Ų39.833%0.33122%0.22SC..THydrogen-bonded Turntrans-66.1-21.7-178.6-21.232.8000113.8Y168 S172 P208Y168-P170 HydrophobicContact CD1-CG 3.98Å; Y168-P170 HydrophobicContact CE1-CB 4.09Å; Y168-P170 HydrophobicContact CE1-CG 3.84Å; P170-S172 VanDerWaalsContact C-N 3.35Å; P170-P208 HydrophobicContact CG-CB 4.08Å; P170-P208 HydrophobicContact CG-CG 3.32Å
171S97.4Very high98.1Very high109 Ų10935.9 Ų35.976%0.76221%0.208SC*.THydrogen-bonded Turntrans-70.5-34.6-175.372.70000112.1D169D169-S171 PolarHBondContact O-N 2.98Å; D169-S171 WeakPolarHBondContact OD1-CB 3.42Å; D169-S171 PolarHBondContact OD1-N 2.83Å; D169-S171 PolarHBondContact OD1-OG 3.32Å
172S97.7Very high98.2Very high49 Ų4940.6 Ų40.634%0.34322%0.223SC..THydrogen-bonded Turntrans-108.3-6.1175.464.10000113.6P170 E174 R259P170-S172 VanDerWaalsContact C-N 3.35Å; S172-E174 VanDerWaalsContact C-N 3.34Å; S172-E174 VanDerWaalsContact CB-OE2 3.27Å; S172-E174 WeakPolarHBondContact CB-OE2 3.16Å; S172-E174 WeakPolarHBondContact OG-CB 3.31Å; S172-E174 WeakPolarHBondContact OG-CG 3.11Å; S172-E174 PolarHBondContact OG-OE2 2.98Å; S172-R259 PolarHBondContact OG-NH1 3.35Å
173Q98.2Very high98.3Very high87 Ų8744.4 Ų44.441%0.40724%0.241SC..THydrogen-bonded Turntrans54.748.5-171.7-57.8-176.632.500112.2D169 R262D169-Q173 WeakPolarHBondContact O-CA 3.41Å; D169-Q173 PolarHBondContact O-N 2.8Å; Q173-R262 WeakPolarHBondContact O-CB 3.29Å; Q173-R262 PolarHBondContact O-N 2.88Å
174E98.7Very high98.3Very high51 Ų5140.7 Ų40.724%0.23823%0.227CC..EExtended strand (participates in β ladder)trans-126.4157.2-178.4-66.9173.1138.700111.2Y168 D169 S172 R259 I260Y168-E174 WeakPolarHBondContact CD2-O 3.36Å; D169-E174 PolarHBondContact N-O 3.23Å; D169-E174 PolarHBondContact O-N 3.08Å; S172-E174 VanDerWaalsContact C-N 3.34Å; S172-E174 VanDerWaalsContact CB-OE2 3.27Å; S172-E174 WeakPolarHBondContact CB-OE2 3.16Å; S172-E174 WeakPolarHBondContact OG-CB 3.31Å; S172-E174 WeakPolarHBondContact OG-CG 3.11Å; S172-E174 PolarHBondContact OG-OE2 2.98Å; E174-R259 WeakPolarHBondContact OE2-CD 3.25Å; E174-R259 IonicContact OE2-CZ 3.82Å; E174-R259 IonicContact OE2-NH1 2.88Å; E174-R259 PolarHBondContact OE2-NH1 3.24Å; E174-I260 CarbonylContact C-O 3.31Å; E174-I260 WeakPolarHBondContact CA-O 3.45Å; E174-I260 VanDerWaalsContact CB-O 3.27Å; E174-I260 WeakPolarHBondContact CB-O 3.38Å
175F98.8Very high98.3Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-97137.9160.8-68.3-81.2000109.8A166 T167 Y168 I177 L205 F218 R259 I260 R262 L265 V272A166-F175 HydrophobicContact CB-CD1 4.42Å; T167-F175 WeakPolarHBondContact O-CA 3.23Å; Y168-F175 HydrophobicContact CD2-CD1 4.02Å; Y168-F175 HydrophobicContact CD2-CD2 4.4Å; Y168-F175 AromaticContact CD2-CE1 3.77Å; Y168-F175 HydrophobicContact CD2-CE1 3.77Å; Y168-F175 HydrophobicContact CD2-CE2 4.16Å; Y168-F175 HydrophobicContact CD2-CG 4.33Å; Y168-F175 AromaticContact CD2-CZ 3.83Å; Y168-F175 HydrophobicContact CD2-CZ 3.83Å; Y168-F175 HydrophobicContact CG-CD1 4.44Å; Y168-F175 HydrophobicContact CG-CE1 4.07Å; Y168-F175 HydrophobicContact CG-CZ 4.42Å; F175-I177 HydrophobicContact CB-CD1 4.27Å; F175-L205 HydrophobicContact CE1-CD1 4.32Å; F175-L205 HydrophobicContact CE1-CG 4.23Å; F175-F218 HydrophobicContact CB-CE1 4.44Å; F175-F218 AromaticContact CD1-CE1 3.89Å; F175-F218 HydrophobicContact CD1-CE1 3.89Å; F175-F218 HydrophobicContact CD1-CZ 4.47Å; F175-F218 HydrophobicContact CD2-CD1 4.18Å; F175-F218 AromaticContact CD2-CE1 3.84Å; F175-F218 HydrophobicContact CD2-CE1 3.84Å; F175-F218 HydrophobicContact CE1-CE1 4.03Å; F175-F218 AromaticContact CE2-CE1 3.98Å; F175-F218 HydrophobicContact CE2-CE1 3.98Å; F175-F218 HydrophobicContact CG-CD1 4.32Å; F175-F218 AromaticContact CG-CE1 3.8Å; F175-F218 HydrophobicContact CG-CE1 3.8Å; F175-F218 HydrophobicContact CZ-CE1 4.08Å; F175-R259 WeakPolarHBondContact O-CA 3.41Å; F175-I260 HydrophobicContact CB-CD1 4.3Å; F175-I260 HydrophobicContact CB-CG1 3.85Å; F175-I260 PolarHBondContact N-O 3.42Å; F175-I260 PolarHBondContact O-N 2.79Å; F175-R262 HydrophobicContact CE2-CB 4.34Å; F175-R262 HydrophobicContact CE2-CG 4.04Å; F175-R262 WeakPolarHBondContact CE2-O 3.35Å; F175-L265 HydrophobicContact CE2-CB 3.78Å; F175-L265 HydrophobicContact CE2-CD2 4.2Å; F175-L265 HydrophobicContact CZ-CB 4.29Å; F175-L265 HydrophobicContact CZ-CD2 3.87Å; F175-V272 HydrophobicContact CE1-CG2 4.2Å; F175-V272 HydrophobicContact CZ-CB 4.04Å; F175-V272 HydrophobicContact CZ-CG2 3.86Å
176V98.8Very high98.3Very high22 Ų2239.5 Ų39.513%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-96.9108.3169.7-175.10000108.3A166 T167 N257 R259A166-V176 WeakPolarHBondContact CA-O 3.14Å; T167-V176 PolarHBondContact N-O 3.13Å; T167-V176 PolarHBondContact O-N 3.21Å; V176-N257 HydrophobicContact CG1-CB 3.89Å; V176-R259 HydrophobicContact CG2-CG 4.19Å
177I98.9Very high98.2Very high0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-87.3125.5176.8-50.7-57.6000109.4T164 T165 A166 F175 V201 F218 V220 F255 N257 V258 I260T164-I177 HydrophobicContact CG2-CG2 4.14Å; T165-I177 WeakPolarHBondContact O-CA 3.24Å; A166-I177 HydrophobicContact CB-CD1 3.47Å; A166-I177 VanDerWaalsContact CB-CD1 3.47Å; F175-I177 HydrophobicContact CB-CD1 4.27Å; I177-V201 HydrophobicContact CG2-CG1 4.43Å; I177-F218 HydrophobicContact CD1-CB 4.48Å; I177-F218 HydrophobicContact CD1-CD1 4.4Å; I177-F218 HydrophobicContact CD1-CD2 4.46Å; I177-F218 HydrophobicContact CD1-CG 4.21Å; I177-V220 HydrophobicContact CG1-CG2 4.15Å; I177-F255 HydrophobicContact CG2-CB 3.95Å; I177-F255 HydrophobicContact CG2-CD1 4.34Å; I177-F255 HydrophobicContact CG2-CD2 4.07Å; I177-F255 HydrophobicContact CG2-CG 3.85Å; I177-N257 PolarHBondContact O-N 3.28Å; I177-V258 HydrophobicContact CB-CB 4.35Å; I177-V258 PolarHBondContact N-O 3.39Å; I177-V258 PolarHBondContact O-N 3.18Å; I177-I260 HydrophobicContact CD1-CD1 3.83Å; I177-I260 HydrophobicContact CD1-CG1 4.4Å; I177-I260 HydrophobicContact CG1-CD1 3.82Å; I177-I260 HydrophobicContact CG1-CG1 4.16Å
178N98.8Very high98.2Very high31 Ų3146.9 Ų46.917%0.16625%0.245CC..EExtended strand (participates in β ladder)trans-143.7135.6-177-168.571.9000112.9T164 T165 F255 N257T164-N178 WeakPolarHBondContact CA-O 3.21Å; T165-N178 PolarHBondContact N-O 3.47Å; T165-N178 PolarHBondContact O-N 2.79Å; N178-F255 WeakPolarHBondContact CA-O 3.09Å; N178-F255 PolarHBondContact OD1-O 3.01Å; N178-N257 PolarHBondContact OD1-N 2.78Å; N178-N257 VanDerWaalsContact OD1-N 3.15Å
179S98.7Very high98.2Very high9 Ų946.8 Ų46.86%0.06325%0.245CC..  trans-93114.7165.6-63.40000108.1D181 F255S179-D181 VanDerWaalsContact C-N 3.3Å; S179-D181 PolarHBondContact O-N 3.05Å; S179-F255 PolarHBondContact N-O 3.3Å; S179-F255 PolarHBondContact OG-N 3.05Å
180P97.8Very high98.1Very high63 Ų6345.3 Ų45.341%0.40924%0.238SC..SBendtrans-64.2-31.1-175.323.1-35.1000114.2R163 A184R163-P180 HydrophobicContact CB-CG 4.1Å; R163-P180 WeakPolarHBondContact O-CD 3.34Å; P180-A184 VanDerWaalsContact CD-CB 3.5Å; P180-A184 HydrophobicContact CG-CB 3.76Å
181D97.8Very high98.2Very high51 Ų5142.9 Ų42.927%0.27322%0.223SC..SBendtrans-156.8-175.9176.457.932.6000110.8R163 S179 E183 A184 M254R163-D181 IonicContact CZ-OD1 3.4Å; R163-D181 IonicContact CZ-OD2 3.37Å; R163-D181 IonicContact NH1-OD1 3.38Å; R163-D181 PolarHBondContact NH1-OD1 2.93Å; R163-D181 IonicContact NH1-OD2 2.76Å; R163-D181 PolarHBondContact NH1-OD2 2.99Å; R163-D181 IonicContact NH2-OD1 3Å; R163-D181 IonicContact NH2-OD2 2.73Å; R163-D181 PolarHBondContact NH2-OD2 3.48Å; S179-D181 VanDerWaalsContact C-N 3.3Å; S179-D181 PolarHBondContact O-N 3.05Å; D181-E183 VanDerWaalsContact C-N 3.27Å; D181-E183 PolarHBondContact O-N 3.12Å; D181-E183 WeakPolarHBondContact OD1-CB 3.49Å; D181-E183 PolarHBondContact OD1-N 2.85Å; D181-A184 PolarHBondContact O-N 3.32Å; D181-A184 PolarHBondContact OD1-N 3.08Å; D181-M254 WeakPolarHBondContact O-CE 3.5Å
182F96.8Very high98.2Very high134 Ų13437.7 Ų37.759%0.58819%0.186SC*.G310 helixtrans-68-23.6-178.178.9-88.4000113.5L153 A184 A185 M254L153-F182 HydrophobicContact CD2-CD2 3.75Å; L153-F182 HydrophobicContact CD2-CE2 4.1Å; L153-F182 WeakPolarHBondContact CD2-O 3.48Å; F182-A184 VanDerWaalsContact C-N 3.28Å; F182-A184 PolarHBondContact O-N 3.19Å; F182-A185 WeakPolarHBondContact O-CB 3.48Å; F182-A185 PolarHBondContact O-N 2.97Å; F182-M254 HydrophobicContact CB-CE 4.36Å; F182-M254 HydrophobicContact CB-SD 4.37Å
183E98.1Very high98.2Very high82 Ų8235.6 Ų35.638%0.38317%0.172SC..G310 helixtrans-70.4-29.8176.6-65.6-171.6162.900111.4L153 S154 R163 D181 A185L153-E183 WeakPolarHBondContact CB-O 3.43Å; L153-E183 PolarHBondContact N-O 2.98Å; S154-E183 PolarHBondContact N-O 3.15Å; S154-E183 VanDerWaalsContact N-O 3.12Å; S154-E183 PolarHBondContact OG-O 3.12Å; R163-E183 IonicContact NH1-OE2 2.58Å; R163-E183 PolarHBondContact NH1-OE2 2.92Å; D181-E183 VanDerWaalsContact C-N 3.27Å; D181-E183 PolarHBondContact O-N 3.12Å; D181-E183 WeakPolarHBondContact OD1-CB 3.49Å; D181-E183 PolarHBondContact OD1-N 2.85Å; E183-A185 VanDerWaalsContact C-N 3.25Å; E183-A185 PolarHBondContact O-N 2.95Å
184A98.4Very high98.1Very high0 Ų035.3 Ų35.30%017%0.169CC..G310 helixtrans-824.5173.700000114R163 T164 P180 D181 F182 K186R163-A184 HydrophobicContact CB-CB 3.74Å; T164-A184 PolarHBondContact OG1-O 3.01Å; P180-A184 VanDerWaalsContact CD-CB 3.5Å; P180-A184 HydrophobicContact CG-CB 3.76Å; D181-A184 PolarHBondContact O-N 3.32Å; D181-A184 PolarHBondContact OD1-N 3.08Å; F182-A184 VanDerWaalsContact C-N 3.28Å; F182-A184 PolarHBondContact O-N 3.19Å; A184-K186 PolarHBondContact O-N 3.4Å
185A98.4Very high98Very high6 Ų633.8 Ų33.85%0.0516%0.164CC..SBendtrans-59.9130.117300000109.3E152 L153 F182 E183 F187 A253 M254E152-A185 CarbonylContact C-O 3.5Å; E152-A185 WeakPolarHBondContact CA-O 3.19Å; L153-A185 PolarHBondContact N-O 2.68Å; F182-A185 WeakPolarHBondContact O-CB 3.48Å; F182-A185 PolarHBondContact O-N 2.97Å; E183-A185 VanDerWaalsContact C-N 3.25Å; E183-A185 PolarHBondContact O-N 2.95Å; A185-F187 PolarHBondContact O-N 3.01Å; A185-A253 CarbonylContact C-O 3.58Å; A185-A253 WeakPolarHBondContact CA-O 3.04Å; A185-M254 HydrophobicContact CB-CG 3.45Å; A185-M254 VanDerWaalsContact CB-CG 3.45Å; A185-M254 HydrophobicContact CB-SD 4.17Å
186K98.7Very high97.9Very high0 Ų033.8 Ų33.80%016%0.164CC..EExtended strand (participates in β ladder)trans-59.2134.9166.9-63.8-57.7-177.9-162.60108.3A149 L150 T151 E152 T164 A184 V189 F202 F252 A253 F255A149-K186 HydrophobicContact CB-CB 4.37Å; A149-K186 HydrophobicContact CB-CD 4.37Å; A149-K186 HydrophobicContact CB-CG 4.11Å; A149-K186 WeakPolarHBondContact O-CE 3.44Å; L150-K186 PolarHBondContact O-NZ 3.11Å; T151-K186 VanDerWaalsContact O-CA 3.31Å; T151-K186 WeakPolarHBondContact O-CA 3.43Å; T151-K186 WeakPolarHBondContact O-CD 3.33Å; E152-K186 HydrophobicContact CG-CD 3.84Å; E152-K186 IonicContact OE1-NZ 2.81Å; E152-K186 PolarHBondContact OE1-NZ 2.71Å; T164-K186 WeakPolarHBondContact OG1-CE 3.42Å; T164-K186 PolarHBondContact OG1-NZ 3.3Å; A184-K186 PolarHBondContact O-N 3.4Å; K186-V189 HydrophobicContact CB-CG2 4.14Å; K186-F202 VanDerWaalsContact CE-O 3.25Å; K186-F202 WeakPolarHBondContact CE-O 3.47Å; K186-F202 PolarHBondContact NZ-O 3.38Å; K186-F252 CarbonylContact O-C 3.51Å; K186-F252 WeakPolarHBondContact O-CA 3.4Å; K186-F252 WeakPolarHBondContact O-CB 3.18Å; K186-A253 HydrophobicContact CB-CB 4.45Å; K186-A253 PolarHBondContact N-O 3.45Å; K186-A253 PolarHBondContact O-N 3.12Å; K186-F255 HydrophobicContact CG-CE2 3.89Å
187F98Very high97.9Very high45 Ų4533 Ų3320%0.19716%0.159CC..EExtended strand (participates in β ladder)trans-145.6155.4-171-148-97.9000110.7T151 L153 A185 V189 M239 F252T151-F187 PolarHBondContact O-N 3.13Å; L153-F187 HydrophobicContact CB-CB 4.3Å; L153-F187 HydrophobicContact CB-CG 4.45Å; L153-F187 HydrophobicContact CD1-CD1 4.01Å; L153-F187 HydrophobicContact CD1-CD2 3.95Å; L153-F187 HydrophobicContact CD1-CE1 4.16Å; L153-F187 HydrophobicContact CD1-CE2 4.1Å; L153-F187 HydrophobicContact CD1-CG 3.92Å; L153-F187 HydrophobicContact CD1-CZ 4.21Å; A185-F187 PolarHBondContact O-N 3.01Å; F187-V189 PolarHBondContact O-N 3.07Å; F187-M239 HydrophobicContact CD1-SD 3.63Å; F187-M239 HydrophobicContact CD2-SD 4.36Å; F187-M239 HydrophobicContact CE1-CG 4.23Å; F187-M239 HydrophobicContact CE1-SD 3.38Å; F187-M239 WeakPolarHBondContact CE1-SD 3.21Å; F187-M239 HydrophobicContact CE2-CG 4.2Å; F187-M239 HydrophobicContact CE2-SD 4.15Å; F187-M239 HydrophobicContact CG-SD 4.1Å; F187-M239 HydrophobicContact CZ-CG 3.89Å; F187-M239 HydrophobicContact CZ-SD 3.67Å; F187-F252 HydrophobicContact CD2-CB 3.48Å; F187-F252 VanDerWaalsContact CD2-CB 3.48Å; F187-F252 HydrophobicContact CD2-CG 4.4Å; F187-F252 HydrophobicContact CE2-CB 3.82Å; F187-F252 HydrophobicContact CE2-CD1 4.4Å; F187-F252 HydrophobicContact CE2-CG 4.32Å; F187-F252 HydrophobicContact CG-CB 4.43Å
188W97.7Very high97.9Very high151 Ų15134.1 Ų34.157%0.57216%0.164SC*.EExtended strand (participates in β ladder)trans63.511.7-172.9-65.2108.4000116.2G190 M239 K242 N250 G251W188-G190 PolarHBondContact O-N 3.25Å; W188-G190 VanDerWaalsContact O-N 3.15Å; W188-M239 HydrophobicContact CD2-CE 3.78Å; W188-M239 HydrophobicContact CD2-SD 4.15Å; W188-M239 HydrophobicContact CE3-CE 3.24Å; W188-M239 HydrophobicContact CE3-SD 4.21Å; W188-M239 HydrophobicContact CG-CE 4.42Å; W188-M239 HydrophobicContact CG-SD 4.39Å; W188-M239 HydrophobicContact CH2-CE 4.29Å; W188-M239 HydrophobicContact CZ3-CE 3.53Å; W188-M239 PolarHBondContact N-SD 2.91Å; W188-K242 HydrophobicContact CZ3-CD 3.97Å; W188-K242 HydrophobicContact CZ3-CG 4.26Å; W188-N250 PolarHBondContact O-ND2 2.86Å; W188-G251 PolarHBondContact N-O 3.34Å
189V98.1Very high97.9Very high5 Ų532.6 Ų32.63%0.0316%0.156CC..EExtended strand (participates in β ladder)trans-75.4110.1-172.6-176.10000110.7C147 F148 A149 K186 F187 M192 N250 G251C147-V189 HydrophobicContact CB-CG1 3.73Å; F148-V189 VanDerWaalsContact O-CG1 3.29Å; F148-V189 WeakPolarHBondContact O-CG1 3.22Å; A149-V189 HydrophobicContact CB-CG1 4.19Å; A149-V189 HydrophobicContact CB-CG2 3.98Å; K186-V189 HydrophobicContact CB-CG2 4.14Å; F187-V189 PolarHBondContact O-N 3.07Å; V189-M192 HydrophobicContact CB-CB 3.74Å; V189-M192 HydrophobicContact CB-CE 3.99Å; V189-M192 HydrophobicContact CB-CG 4.36Å; V189-M192 HydrophobicContact CB-SD 3.68Å; V189-M192 HydrophobicContact CG1-CB 3.7Å; V189-M192 HydrophobicContact CG1-CE 3.77Å; V189-M192 HydrophobicContact CG1-CG 4.49Å; V189-M192 HydrophobicContact CG1-SD 4.07Å; V189-M192 HydrophobicContact CG2-CE 4.09Å; V189-M192 HydrophobicContact CG2-SD 3.93Å; V189-M192 VanDerWaalsContact O-CB 3.29Å; V189-M192 WeakPolarHBondContact O-CB 3.19Å; V189-M192 PolarHBondContact O-N 2.66Å; V189-N250 CarbonylContact O-C 3.15Å; V189-N250 WeakPolarHBondContact O-CA 3.42Å; V189-G251 PolarHBondContact N-O 3.42Å; V189-G251 VanDerWaalsContact N-O 3.09Å; V189-G251 PolarHBondContact O-N 2.86Å
190G97.7Very high97.8Very high6 Ų632.2 Ų32.26%0.06215%0.153CC..THydrogen-bonded Turntrans-61.7147.7176.400000111.9C147 W188 M192 N250C147-G190 WeakPolarHBondContact CB-O 3.18Å; W188-G190 PolarHBondContact O-N 3.25Å; W188-G190 VanDerWaalsContact O-N 3.15Å; G190-M192 PolarHBondContact O-N 3.44Å; G190-N250 PolarHBondContact N-ND2 3.43Å
191N98.1Very high97.9Very high0 Ų029.2 Ų29.20%013%0.134CC..THydrogen-bonded Turntrans66.2-17.3-170.6-60.6-31000116.1K112 F145 G146 C147 G193 T195 A196 L248 D249K112-N191 VanDerWaalsContact CG-OD1 3.32Å; K112-N191 WeakPolarHBondContact CG-OD1 3.46Å; K112-N191 PolarHBondContact NZ-OD1 3.23Å; K112-N191 PolarHBondContact O-ND2 3.15Å; K112-N191 VanDerWaalsContact O-ND2 3.08Å; F145-N191 HydrophobicContact CD1-CB 4.45Å; F145-N191 HydrophobicContact CE1-CB 4.07Å; F145-N191 WeakPolarHBondContact CE1-ND2 3.33Å; G146-N191 PolarHBondContact O-ND2 3.38Å; C147-N191 HydrophobicContact CB-CB 4.13Å; N191-G193 VanDerWaalsContact C-N 3.3Å; N191-G193 PolarHBondContact O-N 3.04Å; N191-T195 PolarHBondContact O-N 3.29Å; N191-T195 VanDerWaalsContact O-N 3.14Å; N191-A196 HydrophobicContact CB-CB 4.17Å; N191-A196 WeakPolarHBondContact O-CB 3.42Å; N191-A196 PolarHBondContact O-N 2.95Å; N191-L248 WeakPolarHBondContact OD1-CD1 3.49Å; N191-D249 CarbonylContact C-O 3.47Å; N191-D249 WeakPolarHBondContact CA-O 3.29Å; N191-D249 PolarHBondContact N-O 3.15Å; N191-D249 VanDerWaalsContact O-OD2 3.1Å
192M98.3Very high97.9Very high0 Ų026.9 Ų26.90%012%0.121CC..THydrogen-bonded Turntrans-68.9-28.4-177.4-179.8172.7-82.700112.9A149 V189 G190 K194 A199 I222 R223 V236 D249 A253A149-M192 HydrophobicContact CB-CE 3.75Å; V189-M192 HydrophobicContact CB-CB 3.74Å; V189-M192 HydrophobicContact CB-CE 3.99Å; V189-M192 HydrophobicContact CB-CG 4.36Å; V189-M192 HydrophobicContact CB-SD 3.68Å; V189-M192 HydrophobicContact CG1-CB 3.7Å; V189-M192 HydrophobicContact CG1-CE 3.77Å; V189-M192 HydrophobicContact CG1-CG 4.49Å; V189-M192 HydrophobicContact CG1-SD 4.07Å; V189-M192 HydrophobicContact CG2-CE 4.09Å; V189-M192 HydrophobicContact CG2-SD 3.93Å; V189-M192 VanDerWaalsContact O-CB 3.29Å; V189-M192 WeakPolarHBondContact O-CB 3.19Å; V189-M192 PolarHBondContact O-N 2.66Å; G190-M192 PolarHBondContact O-N 3.44Å; M192-K194 VanDerWaalsContact C-N 3.34Å; M192-K194 PolarHBondContact O-N 2.81Å; M192-A199 HydrophobicContact CE-CB 4.18Å; M192-I222 HydrophobicContact CE-CD1 4.48Å; M192-I222 HydrophobicContact CG-CD1 4.35Å; M192-R223 VanDerWaalsContact O-CZ 3.31Å; M192-R223 PolarHBondContact O-NH1 3.45Å; M192-R223 PolarHBondContact O-NH2 3.29Å; M192-V236 HydrophobicContact CG-CG2 3.6Å; M192-V236 WeakPolarHBondContact O-CG2 3.43Å; M192-V236 HydrophobicContact SD-CG2 4.49Å; M192-D249 PolarHBondContact N-O 3.21Å; M192-A253 HydrophobicContact CE-CB 3.84Å; M192-A253 HydrophobicContact CG-CB 4.49Å; M192-A253 HydrophobicContact SD-CB 3.45Å; M192-A253 WeakPolarHBondContact SD-CB 3.32Å
193G97.5Very high97.9Very high4 Ų420.5 Ų20.54%0.0419%0.093CC..THydrogen-bonded Turntrans-57.2-46-172.600000112.7N191 R223 D249N191-G193 VanDerWaalsContact C-N 3.3Å; N191-G193 PolarHBondContact O-N 3.04Å; G193-R223 PolarHBondContact O-NH2 3.39Å; G193-D249 PolarHBondContact N-O 2.77Å
194K95.8Very high97.9Very high81 Ų8117.6 Ų17.635%0.3528%0.08SC..THydrogen-bonded Turntrans-141.7-23.2-173.5-61.6-168.3168.4-165.10115.1E64 M192 D238 D249E64-K194 IonicContact OE1-NZ 2.72Å; E64-K194 PolarHBondContact OE1-NZ 3.23Å; E64-K194 IonicContact OE2-NZ 3.15Å; E64-K194 PolarHBondContact OE2-NZ 2.61Å; M192-K194 VanDerWaalsContact C-N 3.34Å; M192-K194 PolarHBondContact O-N 2.81Å; K194-D238 HydrophobicContact CG-CB 4.42Å; K194-D249 WeakPolarHBondContact CA-OD2 3.42Å; K194-D249 HydrophobicContact CB-CB 4.29Å; K194-D249 HydrophobicContact CG-CB 4.42Å; K194-D249 PolarHBondContact N-OD2 3.43Å
195T96Very high97.9Very high19 Ų1917.6 Ų17.612%0.1178%0.08CC..THydrogen-bonded Turntrans-104.1-41.5-163.1-46.10000114F71 K112 F145 N191 T197 D249F71-T195 HydrophobicContact CD2-CG2 3.64Å; F71-T195 HydrophobicContact CE2-CG2 3.62Å; K112-T195 PolarHBondContact NZ-OG1 3.18Å; F145-T195 HydrophobicContact CD1-CG2 3.56Å; F145-T195 HydrophobicContact CE1-CG2 3.65Å; F145-T195 HydrophobicContact CG-CG2 4.18Å; F145-T195 HydrophobicContact CZ-CG2 4.37Å; N191-T195 PolarHBondContact O-N 3.29Å; N191-T195 VanDerWaalsContact O-N 3.14Å; T195-T197 PolarHBondContact O-N 2.76Å; T195-D249 WeakPolarHBondContact CB-OD2 3.3Å; T195-D249 PolarHBondContact N-OD2 3.36Å; T195-D249 VanDerWaalsContact OG1-CG 3.22Å; T195-D249 PolarHBondContact OG1-OD1 3.13Å; T195-D249 VanDerWaalsContact OG1-OD1 3.11Å; T195-D249 PolarHBondContact OG1-OD2 3.25Å
196A98.1Very high97.9Very high0 Ų020.5 Ų20.50%09%0.09CC..  trans-70.4132.9-170.600000111.8F145 C147 N191 I222 R223F145-A196 CarbonylContact O-C 3.53Å; F145-A196 VanDerWaalsContact O-CA 3.31Å; F145-A196 WeakPolarHBondContact O-CA 3.5Å; C147-A196 HydrophobicContact CB-CB 3.87Å; N191-A196 HydrophobicContact CB-CB 4.17Å; N191-A196 WeakPolarHBondContact O-CB 3.42Å; N191-A196 PolarHBondContact O-N 2.95Å; A196-I222 HydrophobicContact CB-CD1 4.07Å; A196-I222 WeakPolarHBondContact O-CD1 3.32Å; A196-R223 WeakPolarHBondContact O-CD 3.43Å; A196-R223 PolarHBondContact O-NH1 3.46Å
197T98.4Very high97.9Very high7 Ų720.6 Ų20.64%0.0439%0.09CC..SBendtrans-91.6-29.1172.2620000111.5F145 T195 I222 R223 P225 L228F145-T197 PolarHBondContact N-OG1 2.87Å; F145-T197 PolarHBondContact O-N 3.17Å; F145-T197 PolarHBondContact O-OG1 3.26Å; T195-T197 PolarHBondContact O-N 2.76Å; T197-I222 VanDerWaalsContact O-CG1 3.32Å; T197-I222 WeakPolarHBondContact O-CG1 3.46Å; T197-I222 PolarHBondContact O-N 3.29Å; T197-R223 PolarHBondContact O-N 2.97Å; T197-R223 VanDerWaalsContact O-N 3.12Å; T197-P225 HydrophobicContact CG2-CB 4.11Å; T197-P225 HydrophobicContact CG2-CG 4.38Å; T197-L228 HydrophobicContact CG2-CD2 3.73Å
198H98.6Very high97.8Very high22 Ų2221 Ų2110%0.10210%0.097CC..EExtended strand (participates in β ladder)trans-129.6155179.3-66.869.1000110.9F120 M144 F145 G146 C147 V220F120-H198 HydrophobicContact CE2-CB 4.36Å; F120-H198 HydrophobicContact CZ-CB 3.78Å; M144-H198 HydrophobicContact CE-CB 4.5Å; M144-H198 VanDerWaalsContact CE-CE1 3.48Å; M144-H198 WeakPolarHBondContact CE-CE1 3.49Å; M144-H198 WeakPolarHBondContact CE-NE2 3.25Å; M144-H198 HydrophobicContact CG-CB 4.06Å; M144-H198 HydrophobicContact SD-CB 3.91Å; F145-H198 PolarHBondContact O-N 2.9Å; G146-H198 VanDerWaalsContact CA-O 3.3Å; G146-H198 WeakPolarHBondContact CA-O 3.38Å; C147-H198 PolarHBondContact N-O 2.79Å; C147-H198 VanDerWaalsContact N-O 3.15Å; C147-H198 PolarHBondContact SG-O 3.19Å; H198-V220 WeakPolarHBondContact CA-O 3.34Å
199A98.4Very high97.7Very high0 Ų018.8 Ų18.80%010%0.097CC..EExtended strand (participates in β ladder)trans-129.7141.7174.300000110C147 A149 M192 V201 V220 I222C147-A199 WeakPolarHBondContact O-CA 3.39Å; C147-A199 VanDerWaalsContact SG-CB 3.5Å; A149-A199 HydrophobicContact CB-CB 4.33Å; M192-A199 HydrophobicContact CE-CB 4.18Å; A199-V201 HydrophobicContact CB-CG2 3.8Å; A199-V201 PolarHBondContact O-N 3.21Å; A199-V220 PolarHBondContact N-O 3.07Å; A199-V220 PolarHBondContact O-N 3.32Å; A199-I222 HydrophobicContact CB-CD1 4.37Å; A199-I222 HydrophobicContact CB-CG2 4.02Å
200V98Very high97.6Very high0 Ų024.6 Ų24.60%012%0.124CC..EExtended strand (participates in β ladder)trans-82.9105.4155.6169.40000106.5F120 I123 I124 C147 A149 F202 F218 I219 L266F120-V200 HydrophobicContact CD2-CB 4.16Å; F120-V200 HydrophobicContact CD2-CG2 3.59Å; F120-V200 HydrophobicContact CE2-CB 4.35Å; F120-V200 HydrophobicContact CE2-CG2 3.64Å; I123-V200 HydrophobicContact CG2-CG1 3.91Å; I123-V200 HydrophobicContact CG2-CG2 4.31Å; I124-V200 HydrophobicContact CG1-CG2 4.14Å; C147-V200 PolarHBondContact O-N 3.45Å; A149-V200 WeakPolarHBondContact CA-O 3.42Å; A149-V200 WeakPolarHBondContact CB-O 3.41Å; A149-V200 PolarHBondContact N-O 3Å; V200-F202 HydrophobicContact CG1-CD2 4.27Å; V200-F202 HydrophobicContact CG1-CE2 3.8Å; V200-F218 CarbonylContact C-O 3.53Å; V200-F218 VanDerWaalsContact CA-O 3.3Å; V200-F218 WeakPolarHBondContact CA-O 3.39Å; V200-I219 HydrophobicContact CG2-CG1 4.5Å; V200-L266 HydrophobicContact CG1-CD1 4.25Å; V200-L266 HydrophobicContact CG2-CD1 4.14Å
201V98.4Very high97.6Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans-94.7125.4179.6-179.60000109A149 T164 I177 A199 F218 V220 F255A149-V201 HydrophobicContact CB-CG2 4.26Å; T164-V201 HydrophobicContact CG2-CG1 4.22Å; I177-V201 HydrophobicContact CG2-CG1 4.43Å; A199-V201 HydrophobicContact CB-CG2 3.8Å; A199-V201 PolarHBondContact O-N 3.21Å; V201-F218 PolarHBondContact N-O 2.91Å; V201-F218 PolarHBondContact O-N 3.27Å; V201-V220 HydrophobicContact CB-CG2 3.79Å; V201-V220 HydrophobicContact CG2-CB 3.77Å; V201-V220 HydrophobicContact CG2-CG2 3.56Å; V201-F255 HydrophobicContact CG1-CE2 3.94Å; V201-F255 HydrophobicContact CG1-CZ 4.3Å; V201-F255 HydrophobicContact CG2-CE1 4.24Å; V201-F255 HydrophobicContact CG2-CE2 4.04Å; V201-F255 HydrophobicContact CG2-CZ 3.55Å
202F97.5Very high97.6Very high3 Ų330 Ų301%0.01316%0.157CC..EExtended strand (participates in β ladder)trans-87.9125.9169.4-74.3-104.1000110.1F148 A149 L150 K186 V200 L215 H216 L293F148-F202 AromaticContact CD2-CE2 3.89Å; F148-F202 HydrophobicContact CD2-CE2 3.89Å; F148-F202 HydrophobicContact CE1-CE2 4.33Å; F148-F202 HydrophobicContact CE2-CD2 4.24Å; F148-F202 AromaticContact CE2-CE2 3.19Å; F148-F202 HydrophobicContact CE2-CE2 3.19Å; F148-F202 AromaticContact CE2-CZ 3.6Å; F148-F202 HydrophobicContact CE2-CZ 3.6Å; F148-F202 HydrophobicContact CZ-CD2 4.2Å; F148-F202 AromaticContact CZ-CE2 3.44Å; F148-F202 HydrophobicContact CZ-CE2 3.44Å; F148-F202 VanDerWaalsContact CZ-CE2 3.44Å; F148-F202 AromaticContact CZ-CZ 3.83Å; F148-F202 HydrophobicContact CZ-CZ 3.83Å; A149-F202 PolarHBondContact O-N 3.32Å; L150-F202 HydrophobicContact CB-CD2 3.98Å; L150-F202 HydrophobicContact CB-CG 4.34Å; L150-F202 HydrophobicContact CD1-CB 3.62Å; L150-F202 HydrophobicContact CD1-CD1 4.07Å; L150-F202 HydrophobicContact CD1-CD2 4.2Å; L150-F202 HydrophobicContact CD1-CG 3.69Å; K186-F202 VanDerWaalsContact CE-O 3.25Å; K186-F202 WeakPolarHBondContact CE-O 3.47Å; K186-F202 PolarHBondContact NZ-O 3.38Å; V200-F202 HydrophobicContact CG1-CD2 4.27Å; V200-F202 HydrophobicContact CG1-CE2 3.8Å; F202-L215 HydrophobicContact CB-CD1 4.01Å; F202-L215 HydrophobicContact CB-CD2 4.06Å; F202-L215 HydrophobicContact CB-CG 4Å; F202-L215 HydrophobicContact CD1-CD2 3.71Å; F202-L215 HydrophobicContact CD1-CG 3.95Å; F202-L215 HydrophobicContact CG-CD2 4.28Å; F202-L215 HydrophobicContact CG-CG 4.48Å; F202-H216 CarbonylContact C-O 3.4Å; F202-H216 VanDerWaalsContact CA-O 3.26Å; F202-H216 WeakPolarHBondContact CA-O 3.3Å; F202-L293 HydrophobicContact CE1-CD2 4.32Å
203A98.2Very high97.4Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-143.8154.6-177.300000111.4T164 A166 L205 L215 H216 F218T164-A203 HydrophobicContact CG2-CB 3.88Å; T164-A203 CarbonylContact O-C 3.57Å; T164-A203 VanDerWaalsContact O-CA 3.24Å; T164-A203 WeakPolarHBondContact O-CA 3.46Å; T164-A203 WeakPolarHBondContact O-CB 3.37Å; A166-A203 HydrophobicContact CB-CB 3.88Å; A203-L205 PolarHBondContact O-N 2.82Å; A203-L215 WeakPolarHBondContact O-CA 3.49Å; A203-H216 PolarHBondContact N-O 3.27Å; A203-H216 PolarHBondContact O-N 3.31Å; A203-F218 HydrophobicContact CB-CD2 4.16Å; A203-F218 HydrophobicContact CB-CE2 4.04Å
204Q97.9Very high97.3Very high20 Ų2032.6 Ų32.69%0.09317%0.173CC..EExtended strand (participates in β ladder)trans-71.4115.3173.1-59.7-63.7-14.800108.9R160 M162 T164 T165 A166 Y206 G214R160-Q204 PolarHBondContact O-NE2 3.43Å; M162-Q204 WeakPolarHBondContact O-CG 3.22Å; M162-Q204 PolarHBondContact O-NE2 3.04Å; T164-Q204 PolarHBondContact O-N 2.99Å; T165-Q204 CarbonylContact C-O 3.52Å; T165-Q204 WeakPolarHBondContact CA-O 3.43Å; A166-Q204 PolarHBondContact N-O 3.14Å; Q204-Y206 HydrophobicContact CB-CD2 4.41Å; Q204-Y206 HydrophobicContact CB-CE2 3.75Å; Q204-Y206 WeakPolarHBondContact O-CD2 3.43Å; Q204-G214 VanDerWaalsContact OE1-C 3.24Å; Q204-G214 VanDerWaalsContact OE1-CA 3.24Å
205L98.1Very high97.2Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-82.1123.5-176.8-171.6160.7000110.2A166 F175 A203 T207 C212 H213 G214 H216 F218 L265 V272 Y278A166-L205 WeakPolarHBondContact O-CA 3.37Å; F175-L205 HydrophobicContact CE1-CD1 4.32Å; F175-L205 HydrophobicContact CE1-CG 4.23Å; A203-L205 PolarHBondContact O-N 2.82Å; L205-T207 HydrophobicContact CD2-CG2 4.21Å; L205-C212 CarbonylContact O-C 3.45Å; L205-C212 WeakPolarHBondContact O-CA 3.31Å; L205-H213 HydrophobicContact CD2-CB 4.22Å; L205-H213 PolarHBondContact O-N 3.38Å; L205-G214 PolarHBondContact N-O 2.98Å; L205-H216 HydrophobicContact CB-CB 4.21Å; L205-H216 WeakPolarHBondContact CB-ND1 3.37Å; L205-H216 HydrophobicContact CD1-CB 4.07Å; L205-F218 HydrophobicContact CB-CZ 4.26Å; L205-F218 HydrophobicContact CD1-CZ 3.96Å; L205-F218 HydrophobicContact CG-CZ 4.16Å; L205-L265 HydrophobicContact CD1-CD1 4.14Å; L205-L265 HydrophobicContact CD1-CD2 3.94Å; L205-V272 HydrophobicContact CD1-CG2 4.08Å; L205-V272 HydrophobicContact CD2-CG2 3.97Å; L205-Y278 HydrophobicContact CD1-CE2 4.48Å; L205-Y278 HydrophobicContact CD2-CD2 4.26Å
206Y98.5Very high97.2Very high67 Ų6728.3 Ų28.326%0.26315%0.153SC..EExtended strand (participates in β ladder)trans-113.7129.7173.1-70.3-98.4000111.1T165 A166 Y168 Q204 V211 C212T165-Y206 HydrophobicContact CG2-CD2 4.32Å; T165-Y206 HydrophobicContact CG2-CE2 3.8Å; A166-Y206 PolarHBondContact O-N 3.41Å; Y168-Y206 PolarHBondContact N-O 2.99Å; Q204-Y206 HydrophobicContact CB-CD2 4.41Å; Q204-Y206 HydrophobicContact CB-CE2 3.75Å; Q204-Y206 WeakPolarHBondContact O-CD2 3.43Å; Y206-V211 WeakPolarHBondContact CA-O 3.37Å; Y206-C212 HydrophobicContact CD1-CB 3.96Å; Y206-C212 HydrophobicContact CE1-CB 3.52Å; Y206-C212 HydrophobicContact CE2-CB 4.31Å
207T98Very high97.1Very high2 Ų228.5 Ų28.51%0.01215%0.154CC..  trans-85.1168.617037.50000111.8L205 D209 Q210 V211 H213 V272 G276L205-T207 HydrophobicContact CD2-CG2 4.21Å; T207-D209 WeakPolarHBondContact CB-OD1 3.36Å; T207-D209 PolarHBondContact O-N 3.45Å; T207-D209 VanDerWaalsContact O-N 3.14Å; T207-D209 PolarHBondContact OG1-OD1 3.21Å; T207-Q210 WeakPolarHBondContact O-CA 3.35Å; T207-Q210 PolarHBondContact O-N 3.17Å; T207-V211 PolarHBondContact N-O 3.35Å; T207-V211 VanDerWaalsContact N-O 3.17Å; T207-V211 PolarHBondContact OG1-O 3.19Å; T207-H213 PolarHBondContact OG1-CD2 3.27Å; T207-H213 PolarHBondContact OG1-NE2 3.08Å; T207-V272 HydrophobicContact CG2-CG1 4.44Å; T207-V272 HydrophobicContact CG2-CG2 4.36Å; T207-G276 WeakPolarHBondContact CG2-O 3.49Å
208P96.4Very high97.1Very high53 Ų5328.2 Ų28.234%0.34415%0.152SC..THydrogen-bonded Turntrans-58.7-28.3-175.4-26.236.3000114.2Y168 P170 Q210 G276Y168-P208 HydrophobicContact CD1-CG 3.99Å; P170-P208 HydrophobicContact CG-CB 4.08Å; P170-P208 HydrophobicContact CG-CG 3.32Å; P208-Q210 PolarHBondContact O-N 2.83Å; P208-Q210 PolarHBondContact O-NE2 3.18Å; P208-G276 WeakPolarHBondContact CD-O 3.3Å
209D96.2Very high97.1Very high105 Ų10527.1 Ų27.156%0.56115%0.147SC*.THydrogen-bonded Turntrans-71.44.9172.866.7-11000114.3T207 V211T207-D209 WeakPolarHBondContact CB-OD1 3.36Å; T207-D209 PolarHBondContact O-N 3.45Å; T207-D209 VanDerWaalsContact O-N 3.14Å; T207-D209 PolarHBondContact OG1-OD1 3.21Å; D209-V211 HydrophobicContact CB-CG2 4.48Å; D209-V211 PolarHBondContact O-N 2.82Å; D209-V211 WeakPolarHBondContact OD1-CB 3.27Å; D209-V211 PolarHBondContact OD1-N 3.27Å; D209-V211 VanDerWaalsContact OD1-N 3.14Å; D209-V211 VanDerWaalsContact OD2-CG2 3.31Å; D209-V211 WeakPolarHBondContact OD2-CG2 3.31Å
210Q96.1Very high97.1Very high127 Ų12727.1 Ų27.159%0.59315%0.147SC*.  trans65.316.4-178.5-54.6-60.1-58.400114.7T207 P208T207-Q210 WeakPolarHBondContact O-CA 3.35Å; T207-Q210 PolarHBondContact O-N 3.17Å; P208-Q210 PolarHBondContact O-N 2.83Å; P208-Q210 PolarHBondContact O-NE2 3.18Å
211V97.4Very high97.1Very high66 Ų6628.9 Ų28.940%0.416%0.159SC..  trans-80.3127.8174.5177.50000110.1Y206 T207 D209 H213Y206-V211 WeakPolarHBondContact CA-O 3.37Å; T207-V211 PolarHBondContact N-O 3.35Å; T207-V211 VanDerWaalsContact N-O 3.17Å; T207-V211 PolarHBondContact OG1-O 3.19Å; D209-V211 HydrophobicContact CB-CG2 4.48Å; D209-V211 PolarHBondContact O-N 2.82Å; D209-V211 WeakPolarHBondContact OD1-CB 3.27Å; D209-V211 PolarHBondContact OD1-N 3.27Å; D209-V211 VanDerWaalsContact OD1-N 3.14Å; D209-V211 VanDerWaalsContact OD2-CG2 3.31Å; D209-V211 WeakPolarHBondContact OD2-CG2 3.31Å; V211-H213 PolarHBondContact O-CD2 3.43Å
212C96.7Very high97.1Very high53 Ų5328.9 Ų28.936%0.35816%0.159SC..EExtended strand (participates in β ladder)trans-83.9117.5172.6-173.80000110.5L205 Y206 G214L205-C212 CarbonylContact O-C 3.45Å; L205-C212 WeakPolarHBondContact O-CA 3.31Å; Y206-C212 HydrophobicContact CD1-CB 3.96Å; Y206-C212 HydrophobicContact CE1-CB 3.52Å; Y206-C212 HydrophobicContact CE2-CB 4.31Å; C212-G214 VanDerWaalsContact C-N 3.27Å; C212-G214 PolarHBondContact SG-N 3.36Å; C212-G214 VanDerWaalsContact SG-N 3.45Å
213H95.4Very high97.2Very high43 Ų4329.4 Ų29.420%0.19916%0.161CC..EExtended strand (participates in β ladder)trans-91.39.7176.2-62.7-73.9000112.8L205 T207 V211 Y278 R288L205-H213 HydrophobicContact CD2-CB 4.22Å; L205-H213 PolarHBondContact O-N 3.38Å; T207-H213 PolarHBondContact OG1-CD2 3.27Å; T207-H213 PolarHBondContact OG1-NE2 3.08Å; V211-H213 PolarHBondContact O-CD2 3.43Å; H213-Y278 HydrophobicContact CB-CD1 4.25Å; H213-Y278 HydrophobicContact CB-CD2 4Å; H213-Y278 HydrophobicContact CB-CE1 4.04Å; H213-Y278 HydrophobicContact CB-CE2 3.79Å; H213-Y278 HydrophobicContact CB-CG 4.22Å; H213-Y278 AromaticContact CD2-CD2 3.97Å; H213-Y278 AromaticContact CD2-CG 3.77Å; H213-Y278 AromaticContact CE1-CD1 3.7Å; H213-Y278 AromaticContact CE1-CG 3.76Å; H213-Y278 AromaticContact CG-CD1 3.66Å; H213-Y278 AromaticContact CG-CD2 3.76Å; H213-Y278 AromaticContact CG-CE1 3.94Å; H213-Y278 AromaticContact CG-CG 3.55Å; H213-Y278 AromaticContact ND1-CD1 3.27Å; H213-Y278 VanDerWaalsContact ND1-CD1 3.27Å; H213-Y278 WeakPolarHBondContact ND1-CD1 3.28Å; H213-Y278 AromaticContact ND1-CE1 3.69Å; H213-Y278 AromaticContact ND1-CG 3.58Å; H213-Y278 AromaticContact NE2-CG 3.88Å; H213-R288 PolarHBondContact O-NH2 3.07Å
214G94.2Very high97.1Very high17 Ų1732 Ų3218%0.17517%0.174CC..EExtended strand (participates in β ladder)trans80.3-168.4178.800000113.6Q204 L205 C212 H216Q204-G214 VanDerWaalsContact OE1-C 3.24Å; Q204-G214 VanDerWaalsContact OE1-CA 3.24Å; L205-G214 PolarHBondContact N-O 2.98Å; C212-G214 VanDerWaalsContact C-N 3.27Å; C212-G214 PolarHBondContact SG-N 3.36Å; C212-G214 VanDerWaalsContact SG-N 3.45Å; G214-H216 PolarHBondContact O-N 2.86Å; G214-H216 PolarHBondContact O-ND1 2.65Å
215L94.8Very high97Very high7 Ų734.4 Ų34.44%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-64.8131.3-173.5-155.473.2000112.5L150 M162 F202 A203 R288L150-L215 HydrophobicContact CD1-CD2 3.69Å; M162-L215 HydrophobicContact CB-CD1 3.9Å; M162-L215 HydrophobicContact CG-CD1 4.29Å; F202-L215 HydrophobicContact CB-CD1 4.01Å; F202-L215 HydrophobicContact CB-CD2 4.06Å; F202-L215 HydrophobicContact CB-CG 4Å; F202-L215 HydrophobicContact CD1-CD2 3.71Å; F202-L215 HydrophobicContact CD1-CG 3.95Å; F202-L215 HydrophobicContact CG-CD2 4.28Å; F202-L215 HydrophobicContact CG-CG 4.48Å; A203-L215 WeakPolarHBondContact O-CA 3.49Å; L215-R288 PolarHBondContact O-NH1 2.66Å
216H95.7Very high96.8Very high2 Ų243.9 Ų43.91%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-138.2159.6174.5-74.481.8000110.3F202 A203 L205 G214 F218 L265 Y278 R288F202-H216 CarbonylContact C-O 3.4Å; F202-H216 VanDerWaalsContact CA-O 3.26Å; F202-H216 WeakPolarHBondContact CA-O 3.3Å; A203-H216 PolarHBondContact N-O 3.27Å; A203-H216 PolarHBondContact O-N 3.31Å; L205-H216 HydrophobicContact CB-CB 4.21Å; L205-H216 WeakPolarHBondContact CB-ND1 3.37Å; L205-H216 HydrophobicContact CD1-CB 4.07Å; G214-H216 PolarHBondContact O-N 2.86Å; G214-H216 PolarHBondContact O-ND1 2.65Å; H216-F218 HydrophobicContact CB-CE2 3.7Å; H216-F218 HydrophobicContact CB-CZ 3.95Å; H216-F218 WeakPolarHBondContact O-CE2 3.26Å; H216-L265 HydrophobicContact CB-CD1 3.91Å; H216-Y278 AromaticContact CE1-CE2 3.74Å; H216-Y278 AromaticContact CE1-CZ 3.89Å; H216-Y278 PolarHBondContact CE1-OH 3.02Å; H216-Y278 AromaticContact NE2-CE2 3.65Å; H216-Y278 AromaticContact NE2-CZ 3.82Å; H216-Y278 PolarHBondContact NE2-OH 3.36Å; H216-Y278 VanDerWaalsContact NE2-OH 3.12Å; H216-R288 PolarHBondContact CE1-NH1 3.33Å; H216-R288 PolarHBondContact NE2-NH1 3.22Å; H216-R288 VanDerWaalsContact NE2-NH1 3.17Å
217S96.1Very high96.7Very high5 Ų544.6 Ų44.64%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-105.5133.6-179.2440000111.7L266S217-L266 PolarHBondContact O-N 3.07Å
218F98.4Very high96.6Very high0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-129.1137.7-176-59.4-94.4000110.5A166 F175 I177 V200 V201 A203 L205 H216 V220 I260 N264 L265A166-F218 HydrophobicContact CB-CD1 4.47Å; A166-F218 HydrophobicContact CB-CD2 4.1Å; A166-F218 HydrophobicContact CB-CE1 3.84Å; A166-F218 HydrophobicContact CB-CE2 3.43Å; A166-F218 VanDerWaalsContact CB-CE2 3.43Å; A166-F218 HydrophobicContact CB-CZ 3.27Å; F175-F218 HydrophobicContact CB-CE1 4.44Å; F175-F218 AromaticContact CD1-CE1 3.89Å; F175-F218 HydrophobicContact CD1-CE1 3.89Å; F175-F218 HydrophobicContact CD1-CZ 4.47Å; F175-F218 HydrophobicContact CD2-CD1 4.18Å; F175-F218 AromaticContact CD2-CE1 3.84Å; F175-F218 HydrophobicContact CD2-CE1 3.84Å; F175-F218 HydrophobicContact CE1-CE1 4.03Å; F175-F218 AromaticContact CE2-CE1 3.98Å; F175-F218 HydrophobicContact CE2-CE1 3.98Å; F175-F218 HydrophobicContact CG-CD1 4.32Å; F175-F218 AromaticContact CG-CE1 3.8Å; F175-F218 HydrophobicContact CG-CE1 3.8Å; F175-F218 HydrophobicContact CZ-CE1 4.08Å; I177-F218 HydrophobicContact CD1-CB 4.48Å; I177-F218 HydrophobicContact CD1-CD1 4.4Å; I177-F218 HydrophobicContact CD1-CD2 4.46Å; I177-F218 HydrophobicContact CD1-CG 4.21Å; V200-F218 CarbonylContact C-O 3.53Å; V200-F218 VanDerWaalsContact CA-O 3.3Å; V200-F218 WeakPolarHBondContact CA-O 3.39Å; V201-F218 PolarHBondContact N-O 2.91Å; V201-F218 PolarHBondContact O-N 3.27Å; A203-F218 HydrophobicContact CB-CD2 4.16Å; A203-F218 HydrophobicContact CB-CE2 4.04Å; L205-F218 HydrophobicContact CB-CZ 4.26Å; L205-F218 HydrophobicContact CD1-CZ 3.96Å; L205-F218 HydrophobicContact CG-CZ 4.16Å; H216-F218 HydrophobicContact CB-CE2 3.7Å; H216-F218 HydrophobicContact CB-CZ 3.95Å; H216-F218 WeakPolarHBondContact O-CE2 3.26Å; F218-V220 HydrophobicContact CB-CG2 4.17Å; F218-V220 PolarHBondContact O-N 3.49Å; F218-I260 HydrophobicContact CB-CD1 3.8Å; F218-I260 HydrophobicContact CD1-CD1 3.98Å; F218-I260 HydrophobicContact CG-CD1 4.25Å; F218-N264 WeakPolarHBondContact CA-O 3.46Å; F218-L265 HydrophobicContact CD1-CB 4.08Å; F218-L265 HydrophobicContact CD1-CD1 4.1Å; F218-L265 HydrophobicContact CE1-CB 4.01Å; F218-L265 HydrophobicContact CE1-CD1 3.66Å; F218-L265 HydrophobicContact CE1-CG 4.31Å; F218-L265 HydrophobicContact CZ-CD1 3.89Å
219I98.5Very high96.6Very high0 Ų051.6 Ų51.60%028%0.278CS..EExtended strand (participates in β ladder)trans-80.8114.9170-57.8174.5000108.3I124 Y135 V200 N264 L266I124-I219 HydrophobicContact CD1-CD1 4.04Å; I124-I219 HydrophobicContact CD1-CG1 4.48Å; I124-I219 HydrophobicContact CG1-CD1 4.01Å; I124-I219 HydrophobicContact CG1-CG1 4.35Å; I124-I219 HydrophobicContact CG2-CD1 4.46Å; Y135-I219 HydrophobicContact CD2-CD1 3.22Å; Y135-I219 HydrophobicContact CE1-CG2 4.35Å; Y135-I219 HydrophobicContact CE2-CD1 3.44Å; Y135-I219 VanDerWaalsContact CE2-CD1 3.44Å; Y135-I219 HydrophobicContact CG-CD1 3.83Å; V200-I219 HydrophobicContact CG2-CG1 4.5Å; I219-N264 HydrophobicContact CB-CB 4.38Å; I219-N264 PolarHBondContact N-O 2.83Å; I219-N264 WeakPolarHBondContact O-CB 3.45Å; I219-N264 PolarHBondContact O-ND2 3.03Å; I219-L266 HydrophobicContact CD1-CD2 3.87Å; I219-L266 HydrophobicContact CG1-CD2 4.02Å; I219-L266 HydrophobicContact CG1-CG 4.4Å
220V98.7Very high96.7Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-119.2117.7-178.2-174.10000109.3I177 H198 A199 V201 F218 I222 F255 V258 I260I177-V220 HydrophobicContact CG1-CG2 4.15Å; H198-V220 WeakPolarHBondContact CA-O 3.34Å; A199-V220 PolarHBondContact N-O 3.07Å; A199-V220 PolarHBondContact O-N 3.32Å; V201-V220 HydrophobicContact CB-CG2 3.79Å; V201-V220 HydrophobicContact CG2-CB 3.77Å; V201-V220 HydrophobicContact CG2-CG2 3.56Å; F218-V220 HydrophobicContact CB-CG2 4.17Å; F218-V220 PolarHBondContact O-N 3.49Å; V220-I222 HydrophobicContact CG1-CG2 4.39Å; V220-I222 PolarHBondContact O-N 3.36Å; V220-F255 HydrophobicContact CG1-CD1 4.3Å; V220-F255 HydrophobicContact CG1-CE1 3.92Å; V220-V258 HydrophobicContact CG1-CG1 4.17Å; V220-I260 HydrophobicContact CG1-CG2 4.28Å; V220-I260 HydrophobicContact CG2-CD1 4.13Å; V220-I260 HydrophobicContact CG2-CG2 4.47Å
221P98.1Very high96.8Very high37 Ų3745.6 Ų45.624%0.2426%0.257CS..EExtended strand (participates in β ladder)trans-63127.8166.4-19.633.1000109.7L231P221-L231 HydrophobicContact CB-CD1 3.44Å; P221-L231 VanDerWaalsContact CB-CD1 3.44Å
222I98.5Very high96.9Very high0 Ų048.2 Ų48.20%028%0.275CS..  trans-115.4-23.3-178.559.1168.9000113.2M192 A196 T197 A199 V220 A230 L231 V234 F255M192-I222 HydrophobicContact CE-CD1 4.48Å; M192-I222 HydrophobicContact CG-CD1 4.35Å; A196-I222 HydrophobicContact CB-CD1 4.07Å; A196-I222 WeakPolarHBondContact O-CD1 3.32Å; T197-I222 VanDerWaalsContact O-CG1 3.32Å; T197-I222 WeakPolarHBondContact O-CG1 3.46Å; T197-I222 PolarHBondContact O-N 3.29Å; A199-I222 HydrophobicContact CB-CD1 4.37Å; A199-I222 HydrophobicContact CB-CG2 4.02Å; V220-I222 HydrophobicContact CG1-CG2 4.39Å; V220-I222 PolarHBondContact O-N 3.36Å; I222-A230 WeakPolarHBondContact O-CA 3.39Å; I222-L231 PolarHBondContact O-N 3.32Å; I222-L231 VanDerWaalsContact O-N 3.12Å; I222-V234 HydrophobicContact CB-CG1 4.07Å; I222-V234 HydrophobicContact CG2-CG1 4.23Å; I222-F255 HydrophobicContact CG2-CE1 3.99Å; I222-F255 HydrophobicContact CG2-CZ 4.46Å
223R98.4Very high96.9Very high14 Ų1447.3 Ų47.35%0.05328%0.275CS..BIsolated β-bridgetrans-139.8152.8174.7-64.6177.6172.590.90.7111.1M192 G193 A196 T197 P225 L228 L229 V236M192-R223 VanDerWaalsContact O-CZ 3.31Å; M192-R223 PolarHBondContact O-NH1 3.45Å; M192-R223 PolarHBondContact O-NH2 3.29Å; G193-R223 PolarHBondContact O-NH2 3.39Å; A196-R223 WeakPolarHBondContact O-CD 3.43Å; A196-R223 PolarHBondContact O-NH1 3.46Å; T197-R223 PolarHBondContact O-N 2.97Å; T197-R223 VanDerWaalsContact O-N 3.12Å; R223-P225 WeakPolarHBondContact O-CD 3.49Å; R223-L228 WeakPolarHBondContact CD-O 3.27Å; R223-L229 CarbonylContact C-O 3.41Å; R223-L229 WeakPolarHBondContact CA-O 3.47Å; R223-L229 WeakPolarHBondContact CB-O 3.43Å; R223-V236 HydrophobicContact CG-CG1 4.39Å; R223-V236 VanDerWaalsContact NH2-CG2 3.35Å
224D97.2Very high97.1Very high53 Ų5345.8 Ų45.828%0.28327%0.269SS..  trans-65.3123.7166.5172.8-83000109.6K226 T227 L228 L229 L231D224-K226 PolarHBondContact O-N 2.99Å; D224-K226 VanDerWaalsContact O-N 3.15Å; D224-K226 WeakPolarHBondContact OD1-CA 3.44Å; D224-K226 WeakPolarHBondContact OD1-CB 3.4Å; D224-K226 PolarHBondContact OD1-N 3.33Å; D224-T227 WeakPolarHBondContact CB-OG1 3.43Å; D224-T227 PolarHBondContact O-N 3.1Å; D224-T227 PolarHBondContact OD1-N 3.2Å; D224-T227 PolarHBondContact OD1-OG1 3.33Å; D224-L228 VanDerWaalsContact O-CA 3.27Å; D224-L228 WeakPolarHBondContact O-CA 3.46Å; D224-L228 PolarHBondContact O-N 2.96Å; D224-L229 PolarHBondContact N-O 2.83Å; D224-L231 HydrophobicContact CB-CD2 4.16Å
225P94.7Very high97.3Very high72 Ų7249.9 Ų49.947%0.46829%0.286SS..THydrogen-bonded Turntrans-65-16.6-176.1-24.634.6000115.5T197 R223T197-P225 HydrophobicContact CG2-CB 4.11Å; T197-P225 HydrophobicContact CG2-CG 4.38Å; R223-P225 WeakPolarHBondContact O-CD 3.49Å
226K94.4Very high97.5Very high198 Ų19850.6 Ų50.686%0.86129%0.29SS*.THydrogen-bonded Turntrans-92.4-31.7-177.9-61.4178.7179.2176.60112.3D224D224-K226 PolarHBondContact O-N 2.99Å; D224-K226 VanDerWaalsContact O-N 3.15Å; D224-K226 WeakPolarHBondContact OD1-CA 3.44Å; D224-K226 WeakPolarHBondContact OD1-CB 3.4Å; D224-K226 PolarHBondContact OD1-N 3.33Å
227T95.8Very high97.5Very high83 Ų8351.1 Ų51.151%0.50930%0.297SS..THydrogen-bonded Turntrans-114.7-16-172.962.40000113.3D224 L229D224-T227 WeakPolarHBondContact CB-OG1 3.43Å; D224-T227 PolarHBondContact O-N 3.1Å; D224-T227 PolarHBondContact OD1-N 3.2Å; D224-T227 PolarHBondContact OD1-OG1 3.33Å; T227-L229 PolarHBondContact O-N 3.14Å; T227-L229 VanDerWaalsContact O-N 3.1Å; T227-L229 PolarHBondContact OG1-N 2.86Å
228L95.9Very high97.6Very high82 Ų8252.8 Ų52.843%0.42931%0.305SS..  trans55.217.3-170.7-60.1179.1000114.1T197 R223 D224T197-L228 HydrophobicContact CG2-CD2 3.73Å; R223-L228 WeakPolarHBondContact CD-O 3.27Å; D224-L228 VanDerWaalsContact O-CA 3.27Å; D224-L228 WeakPolarHBondContact O-CA 3.46Å; D224-L228 PolarHBondContact O-N 2.96Å
229L97.8Very high97.6Very high119 Ų11955 Ų5562%0.62332%0.316SS*.PPolyproline II helixtrans-74.9143170.7-65.1177.2000109.7R223 D224 T227R223-L229 CarbonylContact C-O 3.41Å; R223-L229 WeakPolarHBondContact CA-O 3.47Å; R223-L229 WeakPolarHBondContact CB-O 3.43Å; D224-L229 PolarHBondContact N-O 2.83Å; T227-L229 PolarHBondContact O-N 3.14Å; T227-L229 VanDerWaalsContact O-N 3.1Å; T227-L229 PolarHBondContact OG1-N 2.86Å
230A98.3Very high97.4Very high52 Ų5256.5 Ų56.543%0.4333%0.331SS..BIsolated β-bridgetrans-58.5140175.900000110.9I222 V234 V236I222-A230 WeakPolarHBondContact O-CA 3.39Å; A230-V234 WeakPolarHBondContact CB-O 3.45Å; A230-V236 HydrophobicContact CB-CG1 3.77Å
231L98.3Very high97.3Very high55 Ų5564.6 Ų64.629%0.28837%0.366SS..PPolyproline II helixtrans-76.2156.4175.5-69.1175000111.2P221 I222 D224 G233 V234P221-L231 HydrophobicContact CB-CD1 3.44Å; P221-L231 VanDerWaalsContact CB-CD1 3.44Å; I222-L231 PolarHBondContact O-N 3.32Å; I222-L231 VanDerWaalsContact O-N 3.12Å; D224-L231 HydrophobicContact CB-CD2 4.16Å; L231-G233 PolarHBondContact O-N 3Å; L231-V234 HydrophobicContact CB-CG2 4.44Å; L231-V234 WeakPolarHBondContact O-CB 3.35Å; L231-V234 PolarHBondContact O-N 3.05Å
232P98.3Very high97.3Very high121 Ų12164.3 Ų64.379%0.78636%0.361SS*.THydrogen-bonded Turntrans-52.1135.2178.1-27.435.6000112.7V234P232-V234 PolarHBondContact O-N 2.75Å
233G98.2Very high97.1Very high34 Ų3470.7 Ų70.735%0.35140%0.395SS..THydrogen-bonded Turntrans79.2-2.8-177.400000114.8L231 H256 V258L231-G233 PolarHBondContact O-N 3Å; G233-H256 PolarHBondContact O-N 3.26Å; G233-V258 WeakPolarHBondContact O-CG2 3.36Å
234V98.6Very high96.9Very high11 Ų1170.3 Ų70.37%0.06740%0.395CS..EExtended strand (participates in β ladder)trans-105.5114.4176.2-174.50000110I222 A230 L231 P232 V236 F255 V258I222-V234 HydrophobicContact CB-CG1 4.07Å; I222-V234 HydrophobicContact CG2-CG1 4.23Å; A230-V234 WeakPolarHBondContact CB-O 3.45Å; L231-V234 HydrophobicContact CB-CG2 4.44Å; L231-V234 WeakPolarHBondContact O-CB 3.35Å; L231-V234 PolarHBondContact O-N 3.05Å; P232-V234 PolarHBondContact O-N 2.75Å; V234-V236 HydrophobicContact CG1-CB 4.05Å; V234-V236 HydrophobicContact CG1-CG1 4.19Å; V234-F255 HydrophobicContact CG1-CE1 4.36Å; V234-F255 HydrophobicContact CG2-CD1 4.26Å; V234-V258 HydrophobicContact CG2-CG1 4.47Å; V234-V258 HydrophobicContact CG2-CG2 3.84Å
235L98.4Very high96.8Very high102 Ų10268.4 Ų68.453%0.53439%0.385SS..EExtended strand (participates in β ladder)trans-93.5111164.4173.165.4000107.7F252 A253 M254L235-F252 HydrophobicContact CG-CE2 4.36Å; L235-A253 CarbonylContact O-C 3.5Å; L235-A253 WeakPolarHBondContact O-CA 3.32Å; L235-M254 HydrophobicContact CB-CB 4.27Å; L235-M254 HydrophobicContact CD2-SD 4.27Å; L235-M254 PolarHBondContact N-O 3.03Å; L235-M254 PolarHBondContact O-N 3.31Å
236V98.5Very high96.9Very high22 Ų2265.9 Ų65.913%0.13337%0.367CS..EExtended strand (participates in β ladder)trans-131.5138.6-178.561.70000110.8M192 R223 A230 V234 F252 A253M192-V236 HydrophobicContact CG-CG2 3.6Å; M192-V236 WeakPolarHBondContact O-CG2 3.43Å; M192-V236 HydrophobicContact SD-CG2 4.49Å; R223-V236 HydrophobicContact CG-CG1 4.39Å; R223-V236 VanDerWaalsContact NH2-CG2 3.35Å; A230-V236 HydrophobicContact CB-CG1 3.77Å; V234-V236 HydrophobicContact CG1-CB 4.05Å; V234-V236 HydrophobicContact CG1-CG1 4.19Å; V236-F252 WeakPolarHBondContact CA-O 3.34Å; V236-F252 WeakPolarHBondContact CG2-O 3.4Å; V236-A253 HydrophobicContact CB-CB 4.42Å; V236-A253 HydrophobicContact CG2-CB 4.34Å
237G97.4Very high97Very high14 Ų1456.6 Ų56.614%0.14433%0.328CS..EExtended strand (participates in β ladder)trans-159.4170.9-176.800000114.2G251 F252G237-G251 CarbonylContact O-C 3.54Å; G237-G251 WeakPolarHBondContact O-CA 3.5Å; G237-F252 PolarHBondContact N-O 2.97Å; G237-F252 VanDerWaalsContact N-O 3.08Å; G237-F252 WeakPolarHBondContact O-CD1 3.39Å; G237-F252 PolarHBondContact O-N 3.08Å
238D97.9Very high97.1Very high40 Ų4052.9 Ų52.921%0.21431%0.305CS..EExtended strand (participates in β ladder)trans-90.1144.2178.3-163.9-87.4000111.2R67 K194 G240R67-D238 IonicContact CZ-OD1 3.63Å; R67-D238 VanDerWaalsContact CZ-OD1 3.31Å; R67-D238 IonicContact CZ-OD2 3.26Å; R67-D238 IonicContact NH1-OD1 3.31Å; R67-D238 PolarHBondContact NH1-OD1 2.85Å; R67-D238 IonicContact NH1-OD2 3.63Å; R67-D238 PolarHBondContact NH1-OD2 3.11Å; R67-D238 IonicContact NH2-OD1 2.65Å; R67-D238 PolarHBondContact NH2-OD1 3.08Å; R67-D238 IonicContact NH2-OD2 2.8Å; R67-D238 PolarHBondContact NH2-OD2 2.66Å; K194-D238 HydrophobicContact CG-CB 4.42Å; D238-G240 WeakPolarHBondContact OD1-CA 3.44Å; D238-G240 PolarHBondContact OD1-N 3Å
239M96.8Very high97.1Very high47 Ų4749 Ų4923%0.23229%0.285CS..  trans-87-9.9179.6-56.1177.3-41.900113.7F187 W188 N250 F252F187-M239 HydrophobicContact CD1-SD 3.63Å; F187-M239 HydrophobicContact CD2-SD 4.36Å; F187-M239 HydrophobicContact CE1-CG 4.23Å; F187-M239 HydrophobicContact CE1-SD 3.38Å; F187-M239 WeakPolarHBondContact CE1-SD 3.21Å; F187-M239 HydrophobicContact CE2-CG 4.2Å; F187-M239 HydrophobicContact CE2-SD 4.15Å; F187-M239 HydrophobicContact CG-SD 4.1Å; F187-M239 HydrophobicContact CZ-CG 3.89Å; F187-M239 HydrophobicContact CZ-SD 3.67Å; W188-M239 HydrophobicContact CD2-CE 3.78Å; W188-M239 HydrophobicContact CD2-SD 4.15Å; W188-M239 HydrophobicContact CE3-CE 3.24Å; W188-M239 HydrophobicContact CE3-SD 4.21Å; W188-M239 HydrophobicContact CG-CE 4.42Å; W188-M239 HydrophobicContact CG-SD 4.39Å; W188-M239 HydrophobicContact CH2-CE 4.29Å; W188-M239 HydrophobicContact CZ3-CE 3.53Å; W188-M239 PolarHBondContact N-SD 2.91Å; M239-N250 HydrophobicContact CE-CB 3.21Å; M239-N250 PolarHBondContact N-O 2.92Å; M239-N250 VanDerWaalsContact N-O 3.15Å; M239-F252 HydrophobicContact CG-CD1 4.23Å
240G96.3Very high97.2Very high30 Ų3044.2 Ų44.231%0.30926%0.26SS..  trans94.2-155.2-178.800000114.5R67 D238R67-G240 PolarHBondContact NH2-O 3.43Å; R67-G240 VanDerWaalsContact NH2-O 3.11Å; D238-G240 WeakPolarHBondContact OD1-CA 3.44Å; D238-G240 PolarHBondContact OD1-N 3Å
241K96.3Very high97.2Very high170 Ų17041.8 Ų41.874%0.73924%0.239SC*.  trans-73.1134-175.5-176.9177.8178.4-178.40110.7V63V63-K241 HydrophobicContact CG2-CB 4.43Å; V63-K241 HydrophobicContact CG2-CD 4.45Å; V63-K241 HydrophobicContact CG2-CG 4.26Å
242K96.5Very high97.2Very high32 Ų3241.8 Ų41.814%0.13924%0.237CC..  trans-103.6174.8172.1-55.6-171.6-57.4-77.20110.4W188 G244 Q245 N246 L248 N250W188-K242 HydrophobicContact CZ3-CD 3.97Å; W188-K242 HydrophobicContact CZ3-CG 4.26Å; K242-G244 WeakPolarHBondContact CB-O 3.35Å; K242-G244 WeakPolarHBondContact CE-O 3.45Å; K242-Q245 WeakPolarHBondContact CE-O 3.44Å; K242-Q245 PolarHBondContact NZ-O 3.09Å; K242-N246 PolarHBondContact N-OD1 3.21Å; K242-N246 PolarHBondContact O-ND2 3.21Å; K242-N246 PolarHBondContact O-OD1 3.45Å; K242-L248 PolarHBondContact NZ-O 3.12Å; K242-N250 HydrophobicContact CD-CB 4.34Å; K242-N250 WeakPolarHBondContact CE-OD1 3.34Å; K242-N250 PolarHBondContact NZ-OD1 2.78Å
243L94.6Very high97.2Very high134 Ų13436 Ų3670%0.70220%0.2SC*.SBendtrans-58-66.9170-61.8177.4000110.2N246L243-N246 PolarHBondContact O-ND2 3.05Å
244G94.6Very high97.2Very high6 Ų636.8 Ų36.86%0.06220%0.195CC..SBendtrans-118.5-172174.300000113.9K242 N246 D434K242-G244 WeakPolarHBondContact CB-O 3.35Å; K242-G244 WeakPolarHBondContact CE-O 3.45Å; G244-N246 VanDerWaalsContact C-N 3.27Å; G244-N246 PolarHBondContact O-N 3.15Å; G244-D434 WeakPolarHBondContact CA-O 3.4Å
245Q95.8Very high97.2Very high12 Ų1236.4 Ų36.46%0.05619%0.192CC..  trans52.539.5177.2-54.2-177900114.2W107 A108 K242 G247 L248 D435W107-Q245 HydrophobicContact CB-CG 4.39Å; A108-Q245 HydrophobicContact CB-CB 4.24Å; K242-Q245 WeakPolarHBondContact CE-O 3.44Å; K242-Q245 PolarHBondContact NZ-O 3.09Å; Q245-G247 VanDerWaalsContact C-N 3.25Å; Q245-G247 PolarHBondContact O-N 3.12Å; Q245-L248 WeakPolarHBondContact O-CB 3.45Å; Q245-L248 PolarHBondContact O-N 3.29Å; Q245-L248 VanDerWaalsContact O-N 3.1Å; Q245-D435 HydrophobicContact CG-CB 4.39Å; Q245-D435 WeakPolarHBondContact CG-OD1 3.3Å; Q245-D435 PolarHBondContact N-OD1 3.47Å; Q245-D435 PolarHBondContact NE2-O 3.46Å; Q245-D435 VanDerWaalsContact NE2-O 3.08Å
246N96.3Very high97.2Very high19 Ų1937.8 Ų37.810%0.10220%0.196CC..THydrogen-bonded Turntrans-73.6-11.9-171.5-80.7-64.4000114.6R67 K242 L243 G244 L248R67-N246 VanDerWaalsContact CG-O 3.31Å; R67-N246 WeakPolarHBondContact CG-O 3.48Å; R67-N246 PolarHBondContact NE-O 2.84Å; K242-N246 PolarHBondContact N-OD1 3.21Å; K242-N246 PolarHBondContact O-ND2 3.21Å; K242-N246 PolarHBondContact O-OD1 3.45Å; L243-N246 PolarHBondContact O-ND2 3.05Å; G244-N246 VanDerWaalsContact C-N 3.27Å; G244-N246 PolarHBondContact O-N 3.15Å; N246-L248 PolarHBondContact O-N 3.29Å
247G96.4Very high97.2Very high4 Ų440.8 Ų40.84%0.04121%0.211CC..THydrogen-bonded Turntrans-71.9-12.3168.400000114Q245Q245-G247 VanDerWaalsContact C-N 3.25Å; Q245-G247 PolarHBondContact O-N 3.12Å
248L97.4Very high97.3Very high4 Ų440.8 Ų40.82%0.02121%0.208CC..SBendtrans-92.6127.8170.8-179.167.5000110.4A111 K112 L115 N191 K242 Q245 N246 N250A111-L248 HydrophobicContact CB-CD2 3.93Å; K112-L248 HydrophobicContact CB-CD1 4.1Å; K112-L248 HydrophobicContact CG-CD1 4.46Å; L115-L248 HydrophobicContact CD1-CD1 4.03Å; L115-L248 HydrophobicContact CD1-CD2 4Å; N191-L248 WeakPolarHBondContact OD1-CD1 3.49Å; K242-L248 PolarHBondContact NZ-O 3.12Å; Q245-L248 WeakPolarHBondContact O-CB 3.45Å; Q245-L248 PolarHBondContact O-N 3.29Å; Q245-L248 VanDerWaalsContact O-N 3.1Å; N246-L248 PolarHBondContact O-N 3.29Å; L248-N250 WeakPolarHBondContact CD2-OD1 3.15Å; L248-N250 WeakPolarHBondContact CG-OD1 3.16Å; L248-N250 PolarHBondContact O-N 2.89Å
249D97.5Very high97.3Very high1 Ų144.9 Ų44.91%0.00522%0.221CC..  trans-88.781.1175.955.4-51.7000111.1K112 N191 M192 G193 K194 T195K112-D249 IonicContact NZ-OD1 3.53Å; K112-D249 PolarHBondContact NZ-OD1 2.89Å; N191-D249 CarbonylContact C-O 3.47Å; N191-D249 WeakPolarHBondContact CA-O 3.29Å; N191-D249 PolarHBondContact N-O 3.15Å; N191-D249 VanDerWaalsContact O-OD2 3.1Å; M192-D249 PolarHBondContact N-O 3.21Å; G193-D249 PolarHBondContact N-O 2.77Å; K194-D249 WeakPolarHBondContact CA-OD2 3.42Å; K194-D249 HydrophobicContact CB-CB 4.29Å; K194-D249 HydrophobicContact CG-CB 4.42Å; K194-D249 PolarHBondContact N-OD2 3.43Å; T195-D249 WeakPolarHBondContact CB-OD2 3.3Å; T195-D249 PolarHBondContact N-OD2 3.36Å; T195-D249 VanDerWaalsContact OG1-CG 3.22Å; T195-D249 PolarHBondContact OG1-OD1 3.13Å; T195-D249 VanDerWaalsContact OG1-OD1 3.11Å; T195-D249 PolarHBondContact OG1-OD2 3.25Å
250N98.4Very high97.4Very high19 Ų1942.7 Ų42.710%0.10221%0.21CC..  trans-72.1132.1169.9-60.878.4000110W188 V189 G190 M239 K242 L248W188-N250 PolarHBondContact O-ND2 2.86Å; V189-N250 CarbonylContact O-C 3.15Å; V189-N250 WeakPolarHBondContact O-CA 3.42Å; G190-N250 PolarHBondContact N-ND2 3.43Å; M239-N250 HydrophobicContact CE-CB 3.21Å; M239-N250 PolarHBondContact N-O 2.92Å; M239-N250 VanDerWaalsContact N-O 3.15Å; K242-N250 HydrophobicContact CD-CB 4.34Å; K242-N250 WeakPolarHBondContact CE-OD1 3.34Å; K242-N250 PolarHBondContact NZ-OD1 2.78Å; L248-N250 WeakPolarHBondContact CD2-OD1 3.15Å; L248-N250 WeakPolarHBondContact CG-OD1 3.16Å; L248-N250 PolarHBondContact O-N 2.89Å
251G98.3Very high97.5Very high0 Ų044.2 Ų44.20%021%0.214CC..EExtended strand (participates in β ladder)trans-131.1-176.6-174.400000113.7W188 V189 G237W188-G251 PolarHBondContact N-O 3.34Å; V189-G251 PolarHBondContact N-O 3.42Å; V189-G251 VanDerWaalsContact N-O 3.09Å; V189-G251 PolarHBondContact O-N 2.86Å; G237-G251 CarbonylContact O-C 3.54Å; G237-G251 WeakPolarHBondContact O-CA 3.5Å
252F98.6Very high97.6Very high55 Ų5537.6 Ų37.624%0.24119%0.185CC..EExtended strand (participates in β ladder)trans-127.7156.9172.765.8-90.5000110.7K186 F187 L235 V236 G237 M239K186-F252 CarbonylContact O-C 3.51Å; K186-F252 WeakPolarHBondContact O-CA 3.4Å; K186-F252 WeakPolarHBondContact O-CB 3.18Å; F187-F252 HydrophobicContact CD2-CB 3.48Å; F187-F252 VanDerWaalsContact CD2-CB 3.48Å; F187-F252 HydrophobicContact CD2-CG 4.4Å; F187-F252 HydrophobicContact CE2-CB 3.82Å; F187-F252 HydrophobicContact CE2-CD1 4.4Å; F187-F252 HydrophobicContact CE2-CG 4.32Å; F187-F252 HydrophobicContact CG-CB 4.43Å; L235-F252 HydrophobicContact CG-CE2 4.36Å; V236-F252 WeakPolarHBondContact CA-O 3.34Å; V236-F252 WeakPolarHBondContact CG2-O 3.4Å; G237-F252 PolarHBondContact N-O 2.97Å; G237-F252 VanDerWaalsContact N-O 3.08Å; G237-F252 WeakPolarHBondContact O-CD1 3.39Å; G237-F252 PolarHBondContact O-N 3.08Å; M239-F252 HydrophobicContact CG-CD1 4.23Å
253A98.6Very high97.7Very high0 Ų039.1 Ų39.10%019%0.192CC..EExtended strand (participates in β ladder)trans-143.7140.4170.600000112.3A185 K186 M192 L235 V236 F255A185-A253 CarbonylContact C-O 3.58Å; A185-A253 WeakPolarHBondContact CA-O 3.04Å; K186-A253 HydrophobicContact CB-CB 4.45Å; K186-A253 PolarHBondContact N-O 3.45Å; K186-A253 PolarHBondContact O-N 3.12Å; M192-A253 HydrophobicContact CE-CB 3.84Å; M192-A253 HydrophobicContact CG-CB 4.49Å; M192-A253 HydrophobicContact SD-CB 3.45Å; M192-A253 WeakPolarHBondContact SD-CB 3.32Å; L235-A253 CarbonylContact O-C 3.5Å; L235-A253 WeakPolarHBondContact O-CA 3.32Å; V236-A253 HydrophobicContact CB-CB 4.42Å; V236-A253 HydrophobicContact CG2-CB 4.34Å; A253-F255 HydrophobicContact CB-CE1 4.49Å; A253-F255 HydrophobicContact CB-CE2 4.22Å; A253-F255 HydrophobicContact CB-CZ 3.91Å
254M98.6Very high97.8Very high50 Ų5033.1 Ų33.125%0.24616%0.161CC..EExtended strand (participates in β ladder)trans-119.1139.1164.9-65.7-177.867.500109.4D181 F182 A185 L235D181-M254 WeakPolarHBondContact O-CE 3.5Å; F182-M254 HydrophobicContact CB-CE 4.36Å; F182-M254 HydrophobicContact CB-SD 4.37Å; A185-M254 HydrophobicContact CB-CG 3.45Å; A185-M254 VanDerWaalsContact CB-CG 3.45Å; A185-M254 HydrophobicContact CB-SD 4.17Å; L235-M254 HydrophobicContact CB-CB 4.27Å; L235-M254 HydrophobicContact CD2-SD 4.27Å; L235-M254 PolarHBondContact N-O 3.03Å; L235-M254 PolarHBondContact O-N 3.31Å
255F98.8Very high98Very high3 Ų332.9 Ų32.91%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-109.9128.6-179.9-54.1-81.1000109.5T164 I177 N178 S179 K186 V201 V220 I222 V234 A253 V258T164-F255 HydrophobicContact CG2-CD2 4.34Å; I177-F255 HydrophobicContact CG2-CB 3.95Å; I177-F255 HydrophobicContact CG2-CD1 4.34Å; I177-F255 HydrophobicContact CG2-CD2 4.07Å; I177-F255 HydrophobicContact CG2-CG 3.85Å; N178-F255 WeakPolarHBondContact CA-O 3.09Å; N178-F255 PolarHBondContact OD1-O 3.01Å; S179-F255 PolarHBondContact N-O 3.3Å; S179-F255 PolarHBondContact OG-N 3.05Å; K186-F255 HydrophobicContact CG-CE2 3.89Å; V201-F255 HydrophobicContact CG1-CE2 3.94Å; V201-F255 HydrophobicContact CG1-CZ 4.3Å; V201-F255 HydrophobicContact CG2-CE1 4.24Å; V201-F255 HydrophobicContact CG2-CE2 4.04Å; V201-F255 HydrophobicContact CG2-CZ 3.55Å; V220-F255 HydrophobicContact CG1-CD1 4.3Å; V220-F255 HydrophobicContact CG1-CE1 3.92Å; I222-F255 HydrophobicContact CG2-CE1 3.99Å; I222-F255 HydrophobicContact CG2-CZ 4.46Å; V234-F255 HydrophobicContact CG1-CE1 4.36Å; V234-F255 HydrophobicContact CG2-CD1 4.26Å; A253-F255 HydrophobicContact CB-CE1 4.49Å; A253-F255 HydrophobicContact CB-CE2 4.22Å; A253-F255 HydrophobicContact CB-CZ 3.91Å; F255-V258 HydrophobicContact CB-CG2 4.11Å; F255-V258 HydrophobicContact CD1-CG2 4.18Å
256H98.6Very high98Very high132 Ų13232.3 Ų32.361%0.61116%0.155SC*.SBendtrans-115.794.5175.8-172.772.7000109.5G233 V258G233-H256 PolarHBondContact O-N 3.26Å; H256-V258 VanDerWaalsContact C-N 3.29Å; H256-V258 PolarHBondContact O-N 3.07Å
257N98.4Very high98Very high85 Ų8532.8 Ų32.846%0.45516%0.158SC..SBendtrans48.845.2-179.9-59.2-54.3000114.2V176 I177 N178 R259V176-N257 HydrophobicContact CG1-CB 3.89Å; I177-N257 PolarHBondContact O-N 3.28Å; N178-N257 PolarHBondContact OD1-N 2.78Å; N178-N257 VanDerWaalsContact OD1-N 3.15Å; N257-R259 PolarHBondContact O-N 3.14Å
258V98.8Very high97.7Very high14 Ų1439 Ų399%0.08518%0.18CC..EExtended strand (participates in β ladder)trans-74.1118.5-178.7175.90000109.5I177 V220 G233 V234 F255 H256 I260I177-V258 HydrophobicContact CB-CB 4.35Å; I177-V258 PolarHBondContact N-O 3.39Å; I177-V258 PolarHBondContact O-N 3.18Å; V220-V258 HydrophobicContact CG1-CG1 4.17Å; G233-V258 WeakPolarHBondContact O-CG2 3.36Å; V234-V258 HydrophobicContact CG2-CG1 4.47Å; V234-V258 HydrophobicContact CG2-CG2 3.84Å; F255-V258 HydrophobicContact CB-CG2 4.11Å; F255-V258 HydrophobicContact CD1-CG2 4.18Å; H256-V258 VanDerWaalsContact C-N 3.29Å; H256-V258 PolarHBondContact O-N 3.07Å; V258-I260 HydrophobicContact CG1-CG2 4.39Å
259R98.7Very high97.4Very high125 Ų12539.2 Ų39.247%0.47218%0.182SC..EExtended strand (participates in β ladder)trans-87.8128.2179.8-74.1174.4170.5-85.8-2.1110.9D169 S172 E174 F175 V176 N257D169-R259 IonicContact OD2-CZ 3.5Å; D169-R259 IonicContact OD2-NH1 3Å; D169-R259 PolarHBondContact OD2-NH1 3.25Å; D169-R259 IonicContact OD2-NH2 3Å; D169-R259 PolarHBondContact OD2-NH2 2.9Å; S172-R259 PolarHBondContact OG-NH1 3.35Å; E174-R259 WeakPolarHBondContact OE2-CD 3.25Å; E174-R259 IonicContact OE2-CZ 3.82Å; E174-R259 IonicContact OE2-NH1 2.88Å; E174-R259 PolarHBondContact OE2-NH1 3.24Å; F175-R259 WeakPolarHBondContact O-CA 3.41Å; V176-R259 HydrophobicContact CG2-CG 4.19Å; N257-R259 PolarHBondContact O-N 3.14Å
260I98.6Very high97.2Very high2 Ų239.2 Ų39.21%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-128.4148173.864.3176.2000109.9E174 F175 I177 F218 V220 V258 N264E174-I260 CarbonylContact C-O 3.31Å; E174-I260 WeakPolarHBondContact CA-O 3.45Å; E174-I260 VanDerWaalsContact CB-O 3.27Å; E174-I260 WeakPolarHBondContact CB-O 3.38Å; F175-I260 HydrophobicContact CB-CD1 4.3Å; F175-I260 HydrophobicContact CB-CG1 3.85Å; F175-I260 PolarHBondContact N-O 3.42Å; F175-I260 PolarHBondContact O-N 2.79Å; I177-I260 HydrophobicContact CD1-CD1 3.83Å; I177-I260 HydrophobicContact CD1-CG1 4.4Å; I177-I260 HydrophobicContact CG1-CD1 3.82Å; I177-I260 HydrophobicContact CG1-CG1 4.16Å; F218-I260 HydrophobicContact CB-CD1 3.8Å; F218-I260 HydrophobicContact CD1-CD1 3.98Å; F218-I260 HydrophobicContact CG-CD1 4.25Å; V220-I260 HydrophobicContact CG1-CG2 4.28Å; V220-I260 HydrophobicContact CG2-CD1 4.13Å; V220-I260 HydrophobicContact CG2-CG2 4.47Å; V258-I260 HydrophobicContact CG1-CG2 4.39Å; I260-N264 HydrophobicContact CB-CB 4.33Å; I260-N264 HydrophobicContact CD1-CB 3.96Å; I260-N264 HydrophobicContact CG1-CB 4.35Å
261P98.4Very high97.2Very high61 Ų6139.6 Ų39.640%0.39618%0.184SC..EExtended strand (participates in β ladder)trans-56.8148.1174.7-24.334.1000112.2E263 N264P261-E263 PolarHBondContact O-N 3.1Å; P261-E263 VanDerWaalsContact O-N 3.09Å; P261-N264 WeakPolarHBondContact O-CB 2.97Å; P261-N264 PolarHBondContact O-N 2.77Å
262R98.1Very high97.2Very high31 Ų3139.7 Ų39.712%0.11719%0.185CC..G310 helixtrans-49.1-37.9173.7-173.6-173.468.593.82.9112.4Y168 Q173 F175 N264 L265 V272Y168-R262 HydrophobicContact CD2-CG 4.43Å; Y168-R262 HydrophobicContact CE2-CB 3.9Å; Y168-R262 HydrophobicContact CE2-CG 3.63Å; Y168-R262 WeakPolarHBondContact OH-CD 3.15Å; Q173-R262 WeakPolarHBondContact O-CB 3.29Å; Q173-R262 PolarHBondContact O-N 2.88Å; F175-R262 HydrophobicContact CE2-CB 4.34Å; F175-R262 HydrophobicContact CE2-CG 4.04Å; F175-R262 WeakPolarHBondContact CE2-O 3.35Å; R262-N264 PolarHBondContact O-N 3.31Å; R262-N264 VanDerWaalsContact O-N 3.14Å; R262-L265 WeakPolarHBondContact O-CB 3.23Å; R262-L265 PolarHBondContact O-N 3.25Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-V272 WeakPolarHBondContact CD-O 3.48Å; R262-V272 PolarHBondContact NH1-O 2.94Å
263E97.3Very high97.1Very high65 Ų6538.7 Ų38.730%0.30418%0.183SC..G310 helixtrans-65.3-12.5-177.9-72.568.7-155.200113.8R131 H132 P261 L265R131-E263 HydrophobicContact CG-CB 4.34Å; R131-E263 PolarHBondContact NE-O 3.1Å; H132-E263 PolarHBondContact NE2-O 3.43Å; H132-E263 VanDerWaalsContact NE2-O 3.08Å; P261-E263 PolarHBondContact O-N 3.1Å; P261-E263 VanDerWaalsContact O-N 3.09Å; E263-L265 VanDerWaalsContact C-N 3.3Å
264N98.1Very high97Very high8 Ų841.5 Ų41.54%0.04320%0.202CC..G310 helixtrans-80.4-8.3175-75.425000113.6Y135 F218 I219 I260 P261 R262 L266Y135-N264 PolarHBondContact OH-OD1 2.73Å; F218-N264 WeakPolarHBondContact CA-O 3.46Å; I219-N264 HydrophobicContact CB-CB 4.38Å; I219-N264 PolarHBondContact N-O 2.83Å; I219-N264 WeakPolarHBondContact O-CB 3.45Å; I219-N264 PolarHBondContact O-ND2 3.03Å; I260-N264 HydrophobicContact CB-CB 4.33Å; I260-N264 HydrophobicContact CD1-CB 3.96Å; I260-N264 HydrophobicContact CG1-CB 4.35Å; P261-N264 WeakPolarHBondContact O-CB 2.97Å; P261-N264 PolarHBondContact O-N 2.77Å; R262-N264 PolarHBondContact O-N 3.31Å; R262-N264 VanDerWaalsContact O-N 3.14Å; N264-L266 PolarHBondContact O-N 3.11Å
265L98.1Very high96.9Very high0 Ų044.2 Ų44.20%022%0.217CC..BIsolated β-bridgetrans-68.3124.2168.7170.760.6000110.4R131 H132 F175 L205 H216 F218 R262 E263 N267 V272R131-L265 PolarHBondContact NH2-O 3.06Å; H132-L265 PolarHBondContact CE1-O 3.2Å; H132-L265 PolarHBondContact NE2-O 3.22Å; F175-L265 HydrophobicContact CE2-CB 3.78Å; F175-L265 HydrophobicContact CE2-CD2 4.2Å; F175-L265 HydrophobicContact CZ-CB 4.29Å; F175-L265 HydrophobicContact CZ-CD2 3.87Å; L205-L265 HydrophobicContact CD1-CD1 4.14Å; L205-L265 HydrophobicContact CD1-CD2 3.94Å; H216-L265 HydrophobicContact CB-CD1 3.91Å; F218-L265 HydrophobicContact CD1-CB 4.08Å; F218-L265 HydrophobicContact CD1-CD1 4.1Å; F218-L265 HydrophobicContact CE1-CB 4.01Å; F218-L265 HydrophobicContact CE1-CD1 3.66Å; F218-L265 HydrophobicContact CE1-CG 4.31Å; F218-L265 HydrophobicContact CZ-CD1 3.89Å; R262-L265 WeakPolarHBondContact O-CB 3.23Å; R262-L265 PolarHBondContact O-N 3.25Å; R262-L265 VanDerWaalsContact O-N 3.16Å; E263-L265 VanDerWaalsContact C-N 3.3Å; L265-N267 PolarHBondContact O-N 3.09Å; L265-N267 VanDerWaalsContact O-N 3.11Å; L265-V272 HydrophobicContact CD2-CG2 4.24Å
266L96.8Very high96.8Very high0 Ų044.3 Ų44.30%022%0.218CC..  trans-74.7102172-61.4-177.7000109.6I123 I124 T127 H132 V200 S217 I219 N264I123-L266 HydrophobicContact CG2-CD1 3.79Å; I124-L266 HydrophobicContact CG1-CD1 4.39Å; I124-L266 HydrophobicContact CG1-CD2 4.41Å; I124-L266 HydrophobicContact CG2-CD2 4.41Å; T127-L266 CarbonylContact O-C 3.57Å; T127-L266 WeakPolarHBondContact OG1-CB 3.17Å; T127-L266 WeakPolarHBondContact OG1-CD1 3.32Å; H132-L266 HydrophobicContact CB-CD2 4.4Å; V200-L266 HydrophobicContact CG1-CD1 4.25Å; V200-L266 HydrophobicContact CG2-CD1 4.14Å; S217-L266 PolarHBondContact O-N 3.07Å; I219-L266 HydrophobicContact CD1-CD2 3.87Å; I219-L266 HydrophobicContact CG1-CD2 4.02Å; I219-L266 HydrophobicContact CG1-CG 4.4Å; N264-L266 PolarHBondContact O-N 3.11Å
267N95.1Very high96.7Very high29 Ų2943.6 Ų43.616%0.15522%0.216CC..  trans-98.812.4-156.967.8-31000117.6T127 S129 R131 H132 L265 T269 G270 D271T127-N267 PolarHBondContact O-N 3.04Å; S129-N267 WeakPolarHBondContact CB-OD1 3.31Å; S129-N267 PolarHBondContact N-OD1 2.95Å; S129-N267 PolarHBondContact OG-OD1 3.4Å; R131-N267 PolarHBondContact NH2-ND2 2.88Å; H132-N267 PolarHBondContact CE1-OD1 3.26Å; L265-N267 PolarHBondContact O-N 3.09Å; L265-N267 VanDerWaalsContact O-N 3.11Å; N267-T269 VanDerWaalsContact C-N 3.31Å; N267-T269 PolarHBondContact O-N 3.37Å; N267-G270 CarbonylContact C-O 3.59Å; N267-G270 WeakPolarHBondContact CA-O 3.35Å; N267-D271 HydrophobicContact CB-CB 3.78Å; N267-D271 PolarHBondContact ND2-OD2 3.42Å
268R91.3Very high96.7Very high134 Ų13441.6 Ų41.651%0.50620%0.202SC..SBendtrans-67.8-33.4-178.2-177171.8-85128.4-3.6112.2V125 S126 T127 G128V125-R268 PolarHBondContact O-NH1 3.19Å; S126-R268 WeakPolarHBondContact O-CD 3.4Å; S126-R268 PolarHBondContact O-NH1 3.49Å; T127-R268 WeakPolarHBondContact O-CB 3.31Å; T127-R268 PolarHBondContact O-N 2.59Å; G128-R268 VanDerWaalsContact O-CZ 3.24Å; G128-R268 PolarHBondContact O-NH1 3.33Å; G128-R268 VanDerWaalsContact O-NH1 3.07Å
269T90.1Very high96.5Very high10 Ų1044.3 Ų44.36%0.06122%0.218CC..SBendtrans-94.7-13.7-178.354.10000114.1N267 T280 F282 R288 A291N267-T269 VanDerWaalsContact C-N 3.31Å; N267-T269 PolarHBondContact O-N 3.37Å; T269-T280 PolarHBondContact O-OG1 2.75Å; T269-F282 HydrophobicContact CG2-CE2 4.09Å; T269-R288 WeakPolarHBondContact O-CD 3.3Å; T269-R288 WeakPolarHBondContact O-CG 3.37Å; T269-A291 HydrophobicContact CG2-CB 4.42Å
270G94.3Very high96.3Very high1 Ų141 Ų411%0.0121%0.212CC..  trans177.2144-179.600000110.1N267 V279N267-G270 CarbonylContact C-O 3.59Å; N267-G270 WeakPolarHBondContact CA-O 3.35Å; G270-V279 CarbonylContact C-O 3.52Å; G270-V279 VanDerWaalsContact CA-O 3.25Å; G270-V279 WeakPolarHBondContact CA-O 3.45Å
271D97.1Very high95.9Very high27 Ų2745.6 Ų45.614%0.14424%0.242CC..EExtended strand (participates in β ladder)trans-133.9167.4179.4-151.4-2.2000110.7R131 N267 Y278 V279R131-D271 IonicContact NH1-OD1 2.61Å; R131-D271 IonicContact NH1-OD2 2.65Å; R131-D271 IonicContact NH2-OD1 3.32Å; N267-D271 HydrophobicContact CB-CB 3.78Å; N267-D271 PolarHBondContact ND2-OD2 3.42Å; D271-Y278 WeakPolarHBondContact O-CA 3.38Å; D271-Y278 WeakPolarHBondContact O-CD2 3.32Å; D271-V279 HydrophobicContact CB-CG2 3.73Å; D271-V279 PolarHBondContact N-O 2.91Å; D271-V279 PolarHBondContact O-N 3.03Å
272V97.7Very high95.3Very high1 Ų145.8 Ų45.81%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-124.3128172.9-177.80000108.6Y168 F175 L205 T207 R262 L265 Q277 Y278Y168-V272 HydrophobicContact CD1-CG1 3.61Å; Y168-V272 HydrophobicContact CD2-CG1 4.27Å; Y168-V272 HydrophobicContact CE1-CG1 3.86Å; Y168-V272 HydrophobicContact CE2-CG1 4.5Å; Y168-V272 HydrophobicContact CG-CG1 3.84Å; F175-V272 HydrophobicContact CE1-CG2 4.2Å; F175-V272 HydrophobicContact CZ-CB 4.04Å; F175-V272 HydrophobicContact CZ-CG2 3.86Å; L205-V272 HydrophobicContact CD1-CG2 4.08Å; L205-V272 HydrophobicContact CD2-CG2 3.97Å; T207-V272 HydrophobicContact CG2-CG1 4.44Å; T207-V272 HydrophobicContact CG2-CG2 4.36Å; R262-V272 WeakPolarHBondContact CD-O 3.48Å; R262-V272 PolarHBondContact NH1-O 2.94Å; L265-V272 HydrophobicContact CD2-CG2 4.24Å; V272-Q277 CarbonylContact C-O 3.45Å; V272-Q277 WeakPolarHBondContact CA-O 3.38Å; V272-Y278 HydrophobicContact CG2-CD2 4.2Å
273T97.3Very high94.8Very high35 Ų3554.7 Ų54.722%0.21528%0.276CS..  trans-70.5161.1177.165.10000111.1D275 G276 Q277 V279T273-D275 WeakPolarHBondContact CB-OD1 3.33Å; T273-D275 PolarHBondContact O-N 3.2Å; T273-D275 VanDerWaalsContact OG1-CG 3.32Å; T273-D275 PolarHBondContact OG1-OD1 3.36Å; T273-G276 PolarHBondContact O-N 2.9Å; T273-G276 PolarHBondContact OG1-N 3.04Å; T273-Q277 HydrophobicContact CG2-CB 4.23Å; T273-Q277 PolarHBondContact N-O 3.25Å; T273-Q277 WeakPolarHBondContact OG1-CB 3.35Å; T273-Q277 PolarHBondContact OG1-N 3.25Å; T273-Q277 PolarHBondContact OG1-O 2.82Å; T273-V279 HydrophobicContact CG2-CG1 4.26Å
274P97.1Very high94.2Very high59 Ų5954.5 Ų54.538%0.38328%0.277SS..THydrogen-bonded Turntrans-53.5-36.5177.6-28.937.1000114.1Y168 G276Y168-P274 WeakPolarHBondContact OH-CA 3.42Å; Y168-P274 PolarHBondContact OH-O 3.44Å; P274-G276 VanDerWaalsContact C-N 3.28Å; P274-G276 PolarHBondContact O-N 3.21Å
275D96.3Very high93.6Very high107 Ų10758.5 Ų58.557%0.57230%0.304SS*.THydrogen-bonded Turntrans-78.9-4.5176.861.5-55.5000114.3T273 Q277T273-D275 WeakPolarHBondContact CB-OD1 3.33Å; T273-D275 PolarHBondContact O-N 3.2Å; T273-D275 VanDerWaalsContact OG1-CG 3.32Å; T273-D275 PolarHBondContact OG1-OD1 3.36Å; D275-Q277 WeakPolarHBondContact OD2-CG 3.13Å
276G96.2Very high92.9Very high4 Ų462.7 Ų62.74%0.04133%0.326CS..SBendtrans97.314.1170.800000116.1Y168 T207 P208 T273 P274Y168-G276 VanDerWaalsContact CE1-CA 3.43Å; T207-G276 WeakPolarHBondContact CG2-O 3.49Å; P208-G276 WeakPolarHBondContact CD-O 3.3Å; T273-G276 PolarHBondContact O-N 2.9Å; T273-G276 PolarHBondContact OG1-N 3.04Å; P274-G276 VanDerWaalsContact C-N 3.28Å; P274-G276 PolarHBondContact O-N 3.21Å
277Q97.1Very high92.3Very high118 Ų11869.6 Ų69.655%0.55136%0.356SS*.  trans-80.7132.4174.3-60.2-64.5-33.200110.7V272 T273 D275V272-Q277 CarbonylContact C-O 3.45Å; V272-Q277 WeakPolarHBondContact CA-O 3.38Å; T273-Q277 HydrophobicContact CG2-CB 4.23Å; T273-Q277 PolarHBondContact N-O 3.25Å; T273-Q277 WeakPolarHBondContact OG1-CB 3.35Å; T273-Q277 PolarHBondContact OG1-N 3.25Å; T273-Q277 PolarHBondContact OG1-O 2.82Å; D275-Q277 WeakPolarHBondContact OD2-CG 3.13Å
278Y97.3Very high91.9Very high42 Ų4268.9 Ų68.917%0.16535%0.351CS..EExtended strand (participates in β ladder)trans-82.4135.1174.2-179-102.9000111.2L205 H213 H216 D271 V272 T280 R288L205-Y278 HydrophobicContact CD1-CE2 4.48Å; L205-Y278 HydrophobicContact CD2-CD2 4.26Å; H213-Y278 HydrophobicContact CB-CD1 4.25Å; H213-Y278 HydrophobicContact CB-CD2 4Å; H213-Y278 HydrophobicContact CB-CE1 4.04Å; H213-Y278 HydrophobicContact CB-CE2 3.79Å; H213-Y278 HydrophobicContact CB-CG 4.22Å; H213-Y278 AromaticContact CD2-CD2 3.97Å; H213-Y278 AromaticContact CD2-CG 3.77Å; H213-Y278 AromaticContact CE1-CD1 3.7Å; H213-Y278 AromaticContact CE1-CG 3.76Å; H213-Y278 AromaticContact CG-CD1 3.66Å; H213-Y278 AromaticContact CG-CD2 3.76Å; H213-Y278 AromaticContact CG-CE1 3.94Å; H213-Y278 AromaticContact CG-CG 3.55Å; H213-Y278 AromaticContact ND1-CD1 3.27Å; H213-Y278 VanDerWaalsContact ND1-CD1 3.27Å; H213-Y278 WeakPolarHBondContact ND1-CD1 3.28Å; H213-Y278 AromaticContact ND1-CE1 3.69Å; H213-Y278 AromaticContact ND1-CG 3.58Å; H213-Y278 AromaticContact NE2-CG 3.88Å; H216-Y278 AromaticContact CE1-CE2 3.74Å; H216-Y278 AromaticContact CE1-CZ 3.89Å; H216-Y278 PolarHBondContact CE1-OH 3.02Å; H216-Y278 AromaticContact NE2-CE2 3.65Å; H216-Y278 AromaticContact NE2-CZ 3.82Å; H216-Y278 PolarHBondContact NE2-OH 3.36Å; H216-Y278 VanDerWaalsContact NE2-OH 3.12Å; D271-Y278 WeakPolarHBondContact O-CA 3.38Å; D271-Y278 WeakPolarHBondContact O-CD2 3.32Å; V272-Y278 HydrophobicContact CG2-CD2 4.2Å; Y278-T280 HydrophobicContact CD1-CG2 4.35Å; Y278-T280 HydrophobicContact CE1-CG2 3.64Å; Y278-R288 WeakPolarHBondContact OH-CD 3.43Å
279V96.4Very high91.6Very high71 Ų7164.1 Ų64.143%0.4333%0.334SS..EExtended strand (participates in β ladder)trans-130.6140.7178.1-63.20000110.7G270 D271 T273G270-V279 CarbonylContact C-O 3.52Å; G270-V279 VanDerWaalsContact CA-O 3.25Å; G270-V279 WeakPolarHBondContact CA-O 3.45Å; D271-V279 HydrophobicContact CB-CG2 3.73Å; D271-V279 PolarHBondContact N-O 2.91Å; D271-V279 PolarHBondContact O-N 3.03Å; T273-V279 HydrophobicContact CG2-CG1 4.26Å
280T94.2Very high91.1Very high57 Ų5765.5 Ų65.535%0.3535%0.351SS..  trans-147.5141.3-179.31680000111.1T269 Y278 F282T269-T280 PolarHBondContact O-OG1 2.75Å; Y278-T280 HydrophobicContact CD1-CG2 4.35Å; Y278-T280 HydrophobicContact CE1-CG2 3.64Å; T280-F282 WeakPolarHBondContact CG2-O 3.27Å; T280-F282 PolarHBondContact O-N 3.08Å; T280-F282 PolarHBondContact OG1-N 3.03Å; T280-F282 PolarHBondContact OG1-O 3.48Å
281P88.6Confident90.4Very high97 Ų9767.7 Ų67.763%0.6337%0.369SS*.SBendtrans-75.2-11.4171.231.3-33.1000112.7
282F87.1Confident89.4Confident66 Ų6667 Ų6729%0.28937%0.366SS..  trans-95.6125.9-179.2-63.5-89.3000111.6T269 T280 K287 R288 A291T269-F282 HydrophobicContact CG2-CE2 4.09Å; T280-F282 WeakPolarHBondContact CG2-O 3.27Å; T280-F282 PolarHBondContact O-N 3.08Å; T280-F282 PolarHBondContact OG1-N 3.03Å; T280-F282 PolarHBondContact OG1-O 3.48Å; F282-K287 HydrophobicContact CD1-CB 4.21Å; F282-R288 HydrophobicContact CB-CB 3.77Å; F282-R288 HydrophobicContact CB-CG 4.32Å; F282-R288 HydrophobicContact CD1-CB 4.38Å; F282-R288 HydrophobicContact CD2-CB 3.97Å; F282-R288 HydrophobicContact CD2-CG 3.81Å; F282-R288 HydrophobicContact CE2-CG 4.45Å; F282-R288 HydrophobicContact CG-CB 3.78Å; F282-R288 HydrophobicContact CG-CG 4.16Å; F282-A291 HydrophobicContact CE1-CB 3.92Å; F282-A291 HydrophobicContact CE2-CB 4.35Å; F282-A291 HydrophobicContact CZ-CB 3.56Å
283K87Confident88.5Confident217 Ų21768 Ų6894%0.94337%0.371SS*.SBendtrans-75.8-36170.4-64.7-176.9179.2-179.50112.7
284D85.6Confident87.3Confident62 Ų6268 Ų6833%0.33238%0.378SS..SBendtrans-99.2117.3-179179.1-5000110.4N286 K287 R288D284-N286 PolarHBondContact O-N 2.91Å; D284-N286 WeakPolarHBondContact OD1-CB 3.42Å; D284-N286 PolarHBondContact OD1-N 2.84Å; D284-K287 HydrophobicContact CB-CB 4.16Å; D284-K287 HydrophobicContact CB-CD 4.14Å; D284-K287 HydrophobicContact CB-CG 4.05Å; D284-K287 PolarHBondContact O-N 2.81Å; D284-R288 PolarHBondContact O-N 3.43Å; D284-R288 VanDerWaalsContact O-N 3.13Å
285P85.8Confident86.1Confident91 Ų9167.7 Ų67.759%0.59138%0.38SS*.Hα-helixtrans-57.1-32.7176.5-25.334.9000114.2R288 F289P285-R288 PolarHBondContact O-N 3.34Å; P285-F289 WeakPolarHBondContact O-CB 3.34Å; P285-F289 PolarHBondContact O-N 2.66Å
286N83.4Confident85.3Confident89 Ų8963.5 Ų63.548%0.47636%0.358SS..Hα-helixtrans-69-39.7178.7-69.6-59.3000111.5R160 D284 F289 G290R160-N286 PolarHBondContact NH1-OD1 3.38Å; R160-N286 PolarHBondContact NH2-OD1 2.72Å; D284-N286 PolarHBondContact O-N 2.91Å; D284-N286 WeakPolarHBondContact OD1-CB 3.42Å; D284-N286 PolarHBondContact OD1-N 2.84Å; N286-F289 PolarHBondContact O-N 3.34Å; N286-G290 PolarHBondContact O-N 3.33Å
287K83Confident84.8Confident145 Ų14563.9 Ų63.963%0.6336%0.36SS*.Hα-helixtrans-65.7-39.8174.5-69.5-175.6-176.9-1750111.6F282 D284 G290 A291F282-K287 HydrophobicContact CD1-CB 4.21Å; D284-K287 HydrophobicContact CB-CB 4.16Å; D284-K287 HydrophobicContact CB-CD 4.14Å; D284-K287 HydrophobicContact CB-CG 4.05Å; D284-K287 PolarHBondContact O-N 2.81Å; K287-G290 PolarHBondContact O-N 3.46Å; K287-A291 WeakPolarHBondContact O-CB 3.42Å; K287-A291 PolarHBondContact O-N 2.89Å
288R87.6Confident84.3Confident14 Ų1458.8 Ų58.85%0.05334%0.339CS..Hα-helixtrans-59-47.6173.4-172-170.667.475.63.8111.4H213 L215 H216 T269 Y278 F282 D284 P285 A291 S292H213-R288 PolarHBondContact O-NH2 3.07Å; L215-R288 PolarHBondContact O-NH1 2.66Å; H216-R288 PolarHBondContact CE1-NH1 3.33Å; H216-R288 PolarHBondContact NE2-NH1 3.22Å; H216-R288 VanDerWaalsContact NE2-NH1 3.17Å; T269-R288 WeakPolarHBondContact O-CD 3.3Å; T269-R288 WeakPolarHBondContact O-CG 3.37Å; Y278-R288 WeakPolarHBondContact OH-CD 3.43Å; F282-R288 HydrophobicContact CB-CB 3.77Å; F282-R288 HydrophobicContact CB-CG 4.32Å; F282-R288 HydrophobicContact CD1-CB 4.38Å; F282-R288 HydrophobicContact CD2-CB 3.97Å; F282-R288 HydrophobicContact CD2-CG 3.81Å; F282-R288 HydrophobicContact CE2-CG 4.45Å; F282-R288 HydrophobicContact CG-CB 3.78Å; F282-R288 HydrophobicContact CG-CG 4.16Å; D284-R288 PolarHBondContact O-N 3.43Å; D284-R288 VanDerWaalsContact O-N 3.13Å; P285-R288 PolarHBondContact O-N 3.34Å; R288-A291 PolarHBondContact O-N 2.98Å; R288-S292 PolarHBondContact O-N 3.34Å; R288-S292 PolarHBondContact O-OG 3.45Å
289F84.4Confident83.9Confident33 Ų3357.9 Ų57.915%0.14534%0.342CS..Hα-helixtrans-61.5-45.2178.3179.2-98.8000111.6T159 R160 P285 N286 A291 S292 L293T159-F289 VanDerWaalsContact OG1-CZ 3.31Å; T159-F289 WeakPolarHBondContact OG1-CZ 3.32Å; R160-F289 HydrophobicContact CB-CZ 4.47Å; R160-F289 HydrophobicContact CG-CD2 4.35Å; R160-F289 HydrophobicContact CG-CE1 3.84Å; R160-F289 HydrophobicContact CG-CE2 3.64Å; R160-F289 HydrophobicContact CG-CZ 3.33Å; P285-F289 WeakPolarHBondContact O-CB 3.34Å; P285-F289 PolarHBondContact O-N 2.66Å; N286-F289 PolarHBondContact O-N 3.34Å; F289-A291 VanDerWaalsContact C-N 3.35Å; F289-A291 PolarHBondContact O-N 2.9Å; F289-S292 PolarHBondContact O-N 2.85Å; F289-L293 HydrophobicContact CD1-CD1 4.4Å; F289-L293 HydrophobicContact CD2-CD1 4.48Å; F289-L293 HydrophobicContact CE1-CD1 3.72Å; F289-L293 HydrophobicContact CE2-CD1 3.8Å; F289-L293 HydrophobicContact CZ-CD1 3.39Å; F289-L293 PolarHBondContact O-N 2.67Å
290G79.8Confident83.8Confident40 Ų4055.7 Ų55.741%0.41233%0.326SS..Hα-helixtrans-58.3-43.5173.500000112.7N286 K287 S292 L293 G294N286-G290 PolarHBondContact O-N 3.33Å; K287-G290 PolarHBondContact O-N 3.46Å; G290-S292 PolarHBondContact O-N 3.02Å; G290-L293 CarbonylContact O-C 3.45Å; G290-L293 PolarHBondContact O-N 3.02Å; G290-G294 WeakPolarHBondContact O-CA 3.21Å; G290-G294 PolarHBondContact O-N 3.28Å
291A79.4Confident83.7Confident46 Ų4653.1 Ų53.138%0.3831%0.31SS..Hα-helixtrans-64.6-37.917600000112.7T269 F282 K287 R288 F289 L293 G294T269-A291 HydrophobicContact CG2-CB 4.42Å; F282-A291 HydrophobicContact CE1-CB 3.92Å; F282-A291 HydrophobicContact CE2-CB 4.35Å; F282-A291 HydrophobicContact CZ-CB 3.56Å; K287-A291 WeakPolarHBondContact O-CB 3.42Å; K287-A291 PolarHBondContact O-N 2.89Å; R288-A291 PolarHBondContact O-N 2.98Å; F289-A291 VanDerWaalsContact C-N 3.35Å; F289-A291 PolarHBondContact O-N 2.9Å; A291-L293 PolarHBondContact O-N 3.23Å; A291-G294 PolarHBondContact O-N 3.32Å
292S76.6Confident84Confident12 Ų1250.4 Ų50.48%0.08429%0.288CS..Hα-helixtrans-66.8-26.1179.4-54.40000112.7R288 F289 G290R288-S292 PolarHBondContact O-N 3.34Å; R288-S292 PolarHBondContact O-OG 3.45Å; F289-S292 PolarHBondContact O-N 2.85Å; G290-S292 PolarHBondContact O-N 3.02Å
293L77.7Confident84.4Confident24 Ų2447.5 Ų47.513%0.12628%0.275CS..THydrogen-bonded Turntrans-109.95.9178.7-61.4-179.2000113.1L150 F202 F289 G290 A291 A295 L296L150-L293 HydrophobicContact CD2-CD2 4.23Å; F202-L293 HydrophobicContact CE1-CD2 4.32Å; F289-L293 HydrophobicContact CD1-CD1 4.4Å; F289-L293 HydrophobicContact CD2-CD1 4.48Å; F289-L293 HydrophobicContact CE1-CD1 3.72Å; F289-L293 HydrophobicContact CE2-CD1 3.8Å; F289-L293 HydrophobicContact CZ-CD1 3.39Å; F289-L293 PolarHBondContact O-N 2.67Å; G290-L293 CarbonylContact O-C 3.45Å; G290-L293 PolarHBondContact O-N 3.02Å; A291-L293 PolarHBondContact O-N 3.23Å; L293-A295 PolarHBondContact O-N 3.15Å; L293-A295 VanDerWaalsContact O-N 3.15Å; L293-L296 HydrophobicContact CB-CD1 4.11Å; L293-L296 HydrophobicContact CD2-CD1 4.16Å; L293-L296 WeakPolarHBondContact O-CB 3.38Å; L293-L296 WeakPolarHBondContact O-CG 3.31Å; L293-L296 PolarHBondContact O-N 3.27Å
294G72.8Confident84.9Confident34 Ų3437.2 Ų37.235%0.35123%0.231SC..THydrogen-bonded Turntrans-61.1-27.4-17500000113.5G290 A291 L296 S297G290-G294 WeakPolarHBondContact O-CA 3.21Å; G290-G294 PolarHBondContact O-N 3.28Å; A291-G294 PolarHBondContact O-N 3.32Å; G294-L296 PolarHBondContact O-N 3.3Å; G294-S297 PolarHBondContact O-N 3.34Å
295A72.8Confident85.5Confident53 Ų5334.5 Ų34.544%0.43822%0.216SC..Hα-helixtrans-59.1-28.5174.900000113.2I123 L293 S297 G298 G299I123-A295 HydrophobicContact CD1-CB 4.06Å; L293-A295 PolarHBondContact O-N 3.15Å; L293-A295 VanDerWaalsContact O-N 3.15Å; A295-S297 VanDerWaalsContact C-N 3.27Å; A295-S297 PolarHBondContact O-N 2.82Å; A295-G298 PolarHBondContact O-N 3.2Å; A295-G299 PolarHBondContact O-N 2.9Å
296L79.2Confident86.1Confident19 Ų1930.7 Ų30.710%0.09919%0.19CC..Hα-helixtrans-67.5-26.3-178-54.4-179.3000112.5M119 F148 L293 G294 G298 G299 R300 E443M119-L296 HydrophobicContact CE-CD2 4.2Å; F148-L296 HydrophobicContact CZ-CD2 4.47Å; L293-L296 HydrophobicContact CB-CD1 4.11Å; L293-L296 HydrophobicContact CD2-CD1 4.16Å; L293-L296 WeakPolarHBondContact O-CB 3.38Å; L293-L296 WeakPolarHBondContact O-CG 3.31Å; L293-L296 PolarHBondContact O-N 3.27Å; G294-L296 PolarHBondContact O-N 3.3Å; L296-G298 VanDerWaalsContact C-N 3.33Å; L296-G298 PolarHBondContact O-N 3.31Å; L296-G299 PolarHBondContact O-N 3.07Å; L296-R300 WeakPolarHBondContact O-CG 3.37Å; L296-R300 PolarHBondContact O-N 2.91Å; L296-E443 VanDerWaalsContact CD2-OE2 3.3Å; L296-E443 WeakPolarHBondContact CD2-OE2 3.48Å
297S85.3Confident86.8Confident12 Ų1226.5 Ų26.58%0.08417%0.168CC..Hα-helixtrans-63.2-39.4176.7-63.80000111.9G294 A295 R300 I301 H393G294-S297 PolarHBondContact O-N 3.34Å; A295-S297 VanDerWaalsContact C-N 3.27Å; A295-S297 PolarHBondContact O-N 2.82Å; S297-R300 PolarHBondContact O-N 3.45Å; S297-I301 PolarHBondContact O-N 3.23Å; S297-H393 PolarHBondContact OG-ND1 2.89Å; S297-H393 VanDerWaalsContact OG-ND1 3.13Å
298G85.7Confident87.6Confident11 Ų1119.6 Ų19.611%0.11314%0.138CC..Hα-helixtrans-65.3-4317400000112.2A295 L296 R300 I301 Y302 F369A295-G298 PolarHBondContact O-N 3.2Å; L296-G298 VanDerWaalsContact C-N 3.33Å; L296-G298 PolarHBondContact O-N 3.31Å; G298-R300 VanDerWaalsContact C-N 3.3Å; G298-R300 PolarHBondContact O-N 3.33Å; G298-I301 PolarHBondContact O-N 3.48Å; G298-Y302 PolarHBondContact O-N 3.04Å; G298-F369 VanDerWaalsContact CA-CZ 3.43Å
299G89.6Confident88.1Confident22 Ų2219 Ų1923%0.22714%0.135CC..Hα-helixtrans-57.7-39.6175.200000113A295 L296 Y302 I303A295-G299 PolarHBondContact O-N 2.9Å; L296-G299 PolarHBondContact O-N 3.07Å; G299-Y302 PolarHBondContact O-N 3.32Å; G299-I303 WeakPolarHBondContact O-CG1 3.27Å; G299-I303 PolarHBondContact O-N 2.92Å
300R93.6Very high88.8Confident26 Ų2617.4 Ų17.410%0.09813%0.128CC..Hα-helixtrans-67.1-41.1177.4-69.4168.5-171.7153.99.3113.2L296 S297 G298 Y302 I303 T304 H393 C397 K400 E443L296-R300 WeakPolarHBondContact O-CG 3.37Å; L296-R300 PolarHBondContact O-N 2.91Å; S297-R300 PolarHBondContact O-N 3.45Å; G298-R300 VanDerWaalsContact C-N 3.3Å; G298-R300 PolarHBondContact O-N 3.33Å; R300-Y302 VanDerWaalsContact C-N 3.27Å; R300-Y302 PolarHBondContact O-N 2.9Å; R300-I303 PolarHBondContact O-N 3.13Å; R300-T304 PolarHBondContact O-N 3.07Å; R300-T304 PolarHBondContact O-OG1 3.39Å; R300-H393 PolarHBondContact NH1-CE1 3.16Å; R300-H393 VanDerWaalsContact NH1-CE1 3.3Å; R300-C397 PolarHBondContact NH1-SG 3.19Å; R300-K400 HydrophobicContact CB-CB 4.17Å; R300-K400 HydrophobicContact CG-CD 4.5Å; R300-E443 HydrophobicContact CG-CB 4.48Å; R300-E443 PolarHBondContact NE-O 3.38Å; R300-E443 PolarHBondContact NH2-O 3.4Å
301I93Very high89.7Confident3 Ų315.5 Ų15.52%0.01511%0.109CC..Hα-helixtrans-59.7-44.6173.3-71.3168.6000109.9S297 G298 T304 R305 I365 F369 I392S297-I301 PolarHBondContact O-N 3.23Å; G298-I301 PolarHBondContact O-N 3.48Å; I301-T304 WeakPolarHBondContact O-CB 3.44Å; I301-T304 PolarHBondContact O-N 2.99Å; I301-R305 PolarHBondContact O-N 3.13Å; I301-I365 HydrophobicContact CD1-CG1 4.13Å; I301-I365 HydrophobicContact CG1-CG1 4.47Å; I301-I365 HydrophobicContact CG2-CG2 3.81Å; I301-F369 HydrophobicContact CD1-CB 4.14Å; I301-F369 HydrophobicContact CD1-CD2 4.35Å; I301-F369 HydrophobicContact CD1-CG 4.39Å; I301-I392 HydrophobicContact CD1-CG2 3.84Å
302Y93.8Very high90.6Very high39 Ų3913.7 Ų13.715%0.1539%0.093CC..Hα-helixtrans-64.9-38.8178.3-179.5-99.9000112.8V96 D99 G298 G299 R300 T304 R305 M306V96-Y302 HydrophobicContact CG1-CE2 4.35Å; D99-Y302 HydrophobicContact CB-CE2 4.02Å; D99-Y302 WeakPolarHBondContact CB-OH 3.32Å; G298-Y302 PolarHBondContact O-N 3.04Å; G299-Y302 PolarHBondContact O-N 3.32Å; R300-Y302 VanDerWaalsContact C-N 3.27Å; R300-Y302 PolarHBondContact O-N 2.9Å; Y302-T304 VanDerWaalsContact C-N 3.27Å; Y302-T304 PolarHBondContact O-N 3.19Å; Y302-R305 CarbonylContact O-C 3.59Å; Y302-R305 WeakPolarHBondContact O-CA 3.46Å; Y302-R305 WeakPolarHBondContact O-CB 3.31Å; Y302-R305 PolarHBondContact O-N 3.36Å; Y302-M306 HydrophobicContact CD1-CG 3.83Å; Y302-M306 HydrophobicContact CD1-SD 3.72Å; Y302-M306 HydrophobicContact CE1-CE 4.49Å; Y302-M306 HydrophobicContact CE1-CG 3.37Å; Y302-M306 HydrophobicContact CE1-SD 3.42Å; Y302-M306 WeakPolarHBondContact CE1-SD 3.42Å; Y302-M306 WeakPolarHBondContact O-CG 3.26Å; Y302-M306 PolarHBondContact O-N 2.98Å
303I96.4Very high91.7Very high6 Ų613.1 Ų13.13%0.0319%0.089CC..Hα-helixtrans-61.2-35.1175.3-73.9163.2000112.4G299 R300 R305 M306 A307 K400 N439 Y442 E443G299-I303 WeakPolarHBondContact O-CG1 3.27Å; G299-I303 PolarHBondContact O-N 2.92Å; R300-I303 PolarHBondContact O-N 3.13Å; I303-R305 PolarHBondContact O-N 3.47Å; I303-M306 HydrophobicContact CG1-SD 3.91Å; I303-M306 PolarHBondContact O-N 3.14Å; I303-A307 WeakPolarHBondContact O-CB 3.44Å; I303-A307 PolarHBondContact O-N 3.14Å; I303-K400 HydrophobicContact CB-CG 3.96Å; I303-K400 HydrophobicContact CG2-CD 4.44Å; I303-K400 HydrophobicContact CG2-CG 3.53Å; I303-N439 HydrophobicContact CG2-CB 3.8Å; I303-Y442 HydrophobicContact CD1-CD1 3.87Å; I303-Y442 HydrophobicContact CD1-CE1 3.39Å; I303-Y442 HydrophobicContact CG1-CE1 3.76Å; I303-Y442 HydrophobicContact CG2-CE1 4.12Å; I303-E443 HydrophobicContact CD1-CB 3.42Å; I303-E443 VanDerWaalsContact CD1-CB 3.42Å; I303-E443 HydrophobicContact CD1-CG 3.55Å
304T98.1Very high92.7Very high1 Ų112 Ų121%0.0068%0.083CC..Hα-helixtrans-57.4-40.5171.6-53.80000110.9R300 I301 Y302 L308 F361 T362 S399 K400R300-T304 PolarHBondContact O-N 3.07Å; R300-T304 PolarHBondContact O-OG1 3.39Å; I301-T304 WeakPolarHBondContact O-CB 3.44Å; I301-T304 PolarHBondContact O-N 2.99Å; Y302-T304 VanDerWaalsContact C-N 3.27Å; Y302-T304 PolarHBondContact O-N 3.19Å; T304-L308 PolarHBondContact O-N 2.93Å; T304-F361 HydrophobicContact CG2-CE1 4.31Å; T304-T362 HydrophobicContact CG2-CG2 3.79Å; T304-S399 WeakPolarHBondContact OG1-CB 3.36Å; T304-S399 PolarHBondContact OG1-O 3.38Å; T304-S399 PolarHBondContact OG1-OG 3.36Å; T304-K400 WeakPolarHBondContact OG1-CA 3.47Å; T304-K400 PolarHBondContact OG1-N 2.89Å; T304-K400 VanDerWaalsContact OG1-N 3.16Å
305R97.5Very high93.9Very high4 Ų410.4 Ų10.42%0.0157%0.066CC..Hα-helixtrans-67.2-44.1175-178.363.8177.2-166.85.6112.3V96 D100 I301 Y302 I303 A307 L308 V309 E359 T362V96-R305 HydrophobicContact CG1-CG 3.9Å; D100-R305 WeakPolarHBondContact OD1-CG 3.26Å; D100-R305 IonicContact OD1-NE 2.74Å; D100-R305 PolarHBondContact OD1-NE 3.41Å; D100-R305 IonicContact OD2-CZ 2.77Å; D100-R305 IonicContact OD2-NE 2.69Å; D100-R305 PolarHBondContact OD2-NE 3.24Å; D100-R305 IonicContact OD2-NH2 2.64Å; D100-R305 PolarHBondContact OD2-NH2 3.06Å; I301-R305 PolarHBondContact O-N 3.13Å; Y302-R305 CarbonylContact O-C 3.59Å; Y302-R305 WeakPolarHBondContact O-CA 3.46Å; Y302-R305 WeakPolarHBondContact O-CB 3.31Å; Y302-R305 PolarHBondContact O-N 3.36Å; I303-R305 PolarHBondContact O-N 3.47Å; R305-A307 VanDerWaalsContact C-N 3.31Å; R305-A307 PolarHBondContact O-N 3.34Å; R305-L308 WeakPolarHBondContact O-CB 3.17Å; R305-L308 PolarHBondContact O-N 3.34Å; R305-L308 VanDerWaalsContact O-N 3.15Å; R305-V309 WeakPolarHBondContact O-CG2 3.36Å; R305-V309 PolarHBondContact O-N 3.38Å; R305-E359 IonicContact CZ-OE1 2.74Å; R305-E359 IonicContact CZ-OE2 3.78Å; R305-E359 IonicContact NH1-OE1 3.56Å; R305-E359 PolarHBondContact NH1-OE1 2.92Å; R305-E359 IonicContact NH1-OE2 3.21Å; R305-E359 PolarHBondContact NH1-OE2 3.29Å; R305-E359 VanDerWaalsContact NH1-OE2 3.15Å; R305-E359 IonicContact NH2-OE1 3.5Å; R305-E359 PolarHBondContact NH2-OE1 3.47Å; R305-E359 IonicContact NH2-OE2 2.72Å; R305-E359 PolarHBondContact NH2-OE2 3.02Å; R305-T362 HydrophobicContact CB-CG2 4.25Å; R305-T362 WeakPolarHBondContact CD-OG1 3.25Å; R305-T362 PolarHBondContact NH1-OG1 3.02Å; R305-T362 VanDerWaalsContact NH1-OG1 3.08Å
306M98Very high95.2Very high12 Ų127.9 Ų7.96%0.0595%0.045CC..Hα-helixtrans-56.8-46.1176-60.3173.272.700111.7W107 Y302 I303 V309 N310 Y442W107-M306 HydrophobicContact CD2-CE 4.06Å; W107-M306 HydrophobicContact CE3-CE 3.44Å; W107-M306 VanDerWaalsContact CE3-CE 3.44Å; W107-M306 HydrophobicContact CE3-CG 4.38Å; W107-M306 HydrophobicContact CH2-CB 3.7Å; W107-M306 HydrophobicContact CH2-CE 4.42Å; W107-M306 HydrophobicContact CH2-CG 3.67Å; W107-M306 HydrophobicContact CZ2-CB 3.97Å; W107-M306 HydrophobicContact CZ2-CG 4.42Å; W107-M306 HydrophobicContact CZ3-CB 4.07Å; W107-M306 HydrophobicContact CZ3-CE 3.66Å; W107-M306 HydrophobicContact CZ3-CG 3.64Å; W107-M306 HydrophobicContact CZ3-SD 4.41Å; Y302-M306 HydrophobicContact CD1-CG 3.83Å; Y302-M306 HydrophobicContact CD1-SD 3.72Å; Y302-M306 HydrophobicContact CE1-CE 4.49Å; Y302-M306 HydrophobicContact CE1-CG 3.37Å; Y302-M306 HydrophobicContact CE1-SD 3.42Å; Y302-M306 WeakPolarHBondContact CE1-SD 3.42Å; Y302-M306 WeakPolarHBondContact O-CG 3.26Å; Y302-M306 PolarHBondContact O-N 2.98Å; I303-M306 HydrophobicContact CG1-SD 3.91Å; I303-M306 PolarHBondContact O-N 3.14Å; M306-V309 PolarHBondContact O-N 2.98Å; M306-N310 PolarHBondContact O-N 2.97Å; M306-N310 VanDerWaalsContact O-N 3.13Å; M306-Y442 VanDerWaalsContact CE-OH 3.3Å; M306-Y442 WeakPolarHBondContact CE-OH 3.42Å
307A98.6Very high96.1Very high0 Ų07.1 Ų7.10%04%0.041CC..Hα-helixtrans-62.2-43176.900000111.9I303 R305 V309 N310 L311 A407I303-A307 WeakPolarHBondContact O-CB 3.44Å; I303-A307 PolarHBondContact O-N 3.14Å; R305-A307 VanDerWaalsContact C-N 3.31Å; R305-A307 PolarHBondContact O-N 3.34Å; A307-V309 PolarHBondContact O-N 3.09Å; A307-N310 PolarHBondContact O-N 3.39Å; A307-L311 PolarHBondContact O-N 3.33Å; A307-A407 HydrophobicContact CB-CB 3.86Å; A307-A407 WeakPolarHBondContact O-CB 2.98Å
308L98.7Very high96.8Very high1 Ų16.5 Ų6.51%0.0054%0.037CC..Hα-helixtrans-57.9-45.8173.516662.6000111.9T304 R305 N310 L311 K312 A355 L358 E359 T362T304-L308 PolarHBondContact O-N 2.93Å; R305-L308 WeakPolarHBondContact O-CB 3.17Å; R305-L308 PolarHBondContact O-N 3.34Å; R305-L308 VanDerWaalsContact O-N 3.15Å; L308-N310 VanDerWaalsContact C-N 3.3Å; L308-N310 PolarHBondContact O-N 3.01Å; L308-L311 CarbonylContact O-C 3.51Å; L308-L311 WeakPolarHBondContact O-CA 3.33Å; L308-L311 WeakPolarHBondContact O-CB 3.48Å; L308-L311 PolarHBondContact O-N 3Å; L308-L311 VanDerWaalsContact O-N 3.08Å; L308-K312 HydrophobicContact CD1-CD 4.06Å; L308-K312 HydrophobicContact CD1-CG 3.92Å; L308-K312 HydrophobicContact CG-CD 4.02Å; L308-K312 HydrophobicContact CG-CG 4.33Å; L308-K312 WeakPolarHBondContact O-CG 3.43Å; L308-K312 PolarHBondContact O-N 3.14Å; L308-A355 HydrophobicContact CD1-CB 3.99Å; L308-A355 WeakPolarHBondContact CD1-O 3.38Å; L308-L358 HydrophobicContact CD1-CB 3.96Å; L308-L358 HydrophobicContact CD2-CB 4.05Å; L308-L358 HydrophobicContact CG-CB 4.4Å; L308-E359 VanDerWaalsContact CD2-CA 3.44Å; L308-E359 HydrophobicContact CD2-CB 4.12Å; L308-E359 VanDerWaalsContact CD2-N 3.35Å; L308-T362 HydrophobicContact CD2-CG2 4.48Å
309V98.8Very high97.4Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-60.6-41179.4167.40000111.3D100 M104 W107 R305 M306 A307 L311 K312 L313D100-V309 HydrophobicContact CB-CG2 4.19Å; D100-V309 WeakPolarHBondContact OD1-CG2 3.43Å; M104-V309 HydrophobicContact CB-CG1 4.47Å; M104-V309 HydrophobicContact CE-CG1 4.11Å; M104-V309 HydrophobicContact CE-CG2 4.46Å; M104-V309 HydrophobicContact CG-CG1 3.44Å; M104-V309 VanDerWaalsContact CG-CG1 3.44Å; W107-V309 HydrophobicContact CH2-CB 4.38Å; W107-V309 HydrophobicContact CH2-CG1 4.4Å; W107-V309 HydrophobicContact CZ2-CB 3.82Å; W107-V309 HydrophobicContact CZ2-CG1 3.71Å; R305-V309 WeakPolarHBondContact O-CG2 3.36Å; R305-V309 PolarHBondContact O-N 3.38Å; M306-V309 PolarHBondContact O-N 2.98Å; A307-V309 PolarHBondContact O-N 3.09Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.99Å; V309-K312 WeakPolarHBondContact O-CB 3.28Å; V309-K312 PolarHBondContact O-N 3.47Å; V309-L313 WeakPolarHBondContact O-CG 3.4Å; V309-L313 PolarHBondContact O-N 3.48Å; V309-L313 VanDerWaalsContact O-N 3.12Å
310N98.8Very high97.8Very high0 Ų05.1 Ų5.10%02%0.022CC..Hα-helixtrans-62.1-41.2172.9-75.8-37.2000112.5W107 M306 A307 L308 L313 A314 I411 N436W107-N310 VanDerWaalsContact NE1-CG 3.31Å; W107-N310 PolarHBondContact NE1-ND2 2.86Å; W107-N310 PolarHBondContact NE1-OD1 3.14Å; M306-N310 PolarHBondContact O-N 2.97Å; M306-N310 VanDerWaalsContact O-N 3.13Å; A307-N310 PolarHBondContact O-N 3.39Å; L308-N310 VanDerWaalsContact C-N 3.3Å; L308-N310 PolarHBondContact O-N 3.01Å; N310-L313 PolarHBondContact O-N 3.39Å; N310-A314 PolarHBondContact O-N 3.4Å; N310-I411 HydrophobicContact CB-CD1 3.87Å; N310-N436 HydrophobicContact CB-CB 4.33Å
311L98.9Very high98.1Very high0 Ų04.3 Ų4.30%02%0.019CC..Hα-helixtrans-61.4-45.7175.1-177.162.4000111.2A307 L308 V309 L313 A314 V315 Y351 A354 T406 A407A307-L311 PolarHBondContact O-N 3.33Å; L308-L311 CarbonylContact O-C 3.51Å; L308-L311 WeakPolarHBondContact O-CA 3.33Å; L308-L311 WeakPolarHBondContact O-CB 3.48Å; L308-L311 PolarHBondContact O-N 3Å; L308-L311 VanDerWaalsContact O-N 3.08Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.99Å; L311-L313 VanDerWaalsContact C-N 3.32Å; L311-L313 PolarHBondContact O-N 3.5Å; L311-A314 PolarHBondContact O-N 3.3Å; L311-V315 HydrophobicContact CD1-CG1 3.83Å; L311-V315 HydrophobicContact CG-CG1 4.2Å; L311-V315 WeakPolarHBondContact O-CG1 3.47Å; L311-V315 WeakPolarHBondContact O-CG2 3.26Å; L311-V315 PolarHBondContact O-N 2.9Å; L311-Y351 HydrophobicContact CD1-CD1 4.05Å; L311-Y351 HydrophobicContact CD1-CG 4.35Å; L311-A354 HydrophobicContact CD2-CB 4.41Å; L311-T406 HydrophobicContact CD2-CG2 4.15Å; L311-A407 HydrophobicContact CB-CB 4.24Å
312K98.9Very high98.4Very high9 Ų94.1 Ų4.14%0.0392%0.018CC..Hα-helixtrans-55.4-46177.7-72.9172.365.5165.50111.5L308 V309 V315 T316 A355 E359 L636L308-K312 HydrophobicContact CD1-CD 4.06Å; L308-K312 HydrophobicContact CD1-CG 3.92Å; L308-K312 HydrophobicContact CG-CD 4.02Å; L308-K312 HydrophobicContact CG-CG 4.33Å; L308-K312 WeakPolarHBondContact O-CG 3.43Å; L308-K312 PolarHBondContact O-N 3.14Å; V309-K312 WeakPolarHBondContact O-CB 3.28Å; V309-K312 PolarHBondContact O-N 3.47Å; K312-V315 WeakPolarHBondContact O-CG2 3.43Å; K312-T316 VanDerWaalsContact O-CB 3.3Å; K312-T316 WeakPolarHBondContact O-CB 3.18Å; K312-T316 PolarHBondContact O-N 3.46Å; K312-T316 PolarHBondContact O-OG1 3.04Å; K312-A355 HydrophobicContact CG-CB 4.19Å; K312-E359 IonicContact NZ-OE2 2.93Å; K312-E359 PolarHBondContact NZ-OE2 2.93Å; K312-L636 HydrophobicContact CB-CB 4.3Å; K312-L636 HydrophobicContact CD-CD2 4.3Å; K312-L636 HydrophobicContact CG-CB 4.35Å; K312-L636 HydrophobicContact CG-CD1 4.29Å; K312-L636 HydrophobicContact CG-CD2 4.3Å
313L98.9Very high98.6Very high0 Ų02.5 Ų2.50%01%0.012CC..Hα-helixtrans-63.8-47.4176.7-64.8-178.3000111.7M104 V309 N310 L311 T316 V317 L432 P638 L643M104-L313 HydrophobicContact CB-CD1 4.37Å; M104-L313 HydrophobicContact CB-CD2 4.41Å; M104-L313 HydrophobicContact CG-CD1 4.43Å; M104-L313 HydrophobicContact CG-CD2 4.16Å; M104-L313 HydrophobicContact CG-CG 4.46Å; V309-L313 WeakPolarHBondContact O-CG 3.4Å; V309-L313 PolarHBondContact O-N 3.48Å; V309-L313 VanDerWaalsContact O-N 3.12Å; N310-L313 PolarHBondContact O-N 3.39Å; L311-L313 VanDerWaalsContact C-N 3.32Å; L311-L313 PolarHBondContact O-N 3.5Å; L313-T316 WeakPolarHBondContact O-CB 3.35Å; L313-T316 PolarHBondContact O-N 3.32Å; L313-V317 WeakPolarHBondContact O-CG2 2.91Å; L313-V317 PolarHBondContact O-N 3.08Å; L313-L432 HydrophobicContact CB-CD1 3.74Å; L313-L432 HydrophobicContact CB-CD2 4.15Å; L313-L432 HydrophobicContact CD1-CD2 3.6Å; L313-P638 HydrophobicContact CD2-CG 3.63Å; L313-L643 HydrophobicContact CB-CD1 4.42Å; L313-L643 HydrophobicContact CD2-CD1 3.82Å
314A98.9Very high98.7Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-64.9-44.5-177.500000112.9N310 L311 T316 V317 A318 I411 C414 L429 L432N310-A314 PolarHBondContact O-N 3.4Å; L311-A314 PolarHBondContact O-N 3.3Å; A314-T316 VanDerWaalsContact C-N 3.31Å; A314-T316 PolarHBondContact O-N 3.03Å; A314-V317 PolarHBondContact O-N 3.33Å; A314-A318 PolarHBondContact O-N 2.57Å; A314-I411 HydrophobicContact CB-CB 4.2Å; A314-I411 HydrophobicContact CB-CG1 3.71Å; A314-I411 HydrophobicContact CB-CG2 4.3Å; A314-C414 VanDerWaalsContact C-SG 3.57Å; A314-C414 HydrophobicContact CB-CB 4.03Å; A314-C414 PolarHBondContact O-SG 2.93Å; A314-L429 HydrophobicContact CB-CD2 3.85Å; A314-L432 HydrophobicContact CB-CD1 4.3Å
315V98.9Very high98.7Very high1 Ų15.6 Ų5.61%0.0063%0.026CC..Hα-helixtrans-67.7-34177.4-58.80000111.5L311 K312 V317 A318 I319 V352 V633 L636L311-V315 HydrophobicContact CD1-CG1 3.83Å; L311-V315 HydrophobicContact CG-CG1 4.2Å; L311-V315 WeakPolarHBondContact O-CG1 3.47Å; L311-V315 WeakPolarHBondContact O-CG2 3.26Å; L311-V315 PolarHBondContact O-N 2.9Å; K312-V315 WeakPolarHBondContact O-CG2 3.43Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-A318 PolarHBondContact O-N 3.32Å; V315-I319 VanDerWaalsContact O-CB 3.29Å; V315-I319 WeakPolarHBondContact O-CB 3.35Å; V315-I319 VanDerWaalsContact O-CG1 3.25Å; V315-I319 WeakPolarHBondContact O-CG1 3.47Å; V315-I319 PolarHBondContact O-N 3.03Å; V315-V352 HydrophobicContact CB-CG2 4.24Å; V315-V352 HydrophobicContact CG2-CG2 4.42Å; V315-V633 HydrophobicContact CG2-CG1 4.33Å; V315-L636 HydrophobicContact CG2-CD1 4.31Å
316T98.9Very high98.7Very high0 Ų010.5 Ų10.50%05%0.047CC..Hα-helixtrans-59.8-47.7172.7-60.90000110.7K312 L313 A314 R320 V633 A637 L643K312-T316 VanDerWaalsContact O-CB 3.3Å; K312-T316 WeakPolarHBondContact O-CB 3.18Å; K312-T316 PolarHBondContact O-N 3.46Å; K312-T316 PolarHBondContact O-OG1 3.04Å; L313-T316 WeakPolarHBondContact O-CB 3.35Å; L313-T316 PolarHBondContact O-N 3.32Å; A314-T316 VanDerWaalsContact C-N 3.31Å; A314-T316 PolarHBondContact O-N 3.03Å; T316-R320 WeakPolarHBondContact O-CB 3.44Å; T316-R320 WeakPolarHBondContact O-CG 3.29Å; T316-R320 PolarHBondContact O-N 3.07Å; T316-R320 VanDerWaalsContact O-N 3.13Å; T316-V633 HydrophobicContact CG2-CB 4.47Å; T316-A637 HydrophobicContact CG2-CB 3.63Å; T316-L643 HydrophobicContact CG2-CD1 4.38Å; T316-L643 HydrophobicContact CG2-CD2 4.04Å
317V98.9Very high98.5Very high2 Ų212.9 Ų12.91%0.0126%0.058CC..Hα-helixtrans-60.2-51.2177.2174.10000111.2L313 A314 V315 F321 L429 L643 I647 A648L313-V317 WeakPolarHBondContact O-CG2 2.91Å; L313-V317 PolarHBondContact O-N 3.08Å; A314-V317 PolarHBondContact O-N 3.33Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V317-F321 WeakPolarHBondContact O-CB 3.09Å; V317-F321 PolarHBondContact O-N 3.47Å; V317-L429 HydrophobicContact CB-CD2 4.13Å; V317-L429 HydrophobicContact CG1-CD1 3.9Å; V317-L429 HydrophobicContact CG1-CD2 4.15Å; V317-L429 HydrophobicContact CG1-CG 4.04Å; V317-L643 HydrophobicContact CG2-CD1 3.92Å; V317-L643 HydrophobicContact CG2-CD2 4.49Å; V317-L643 HydrophobicContact CG2-CG 4.29Å; V317-I647 HydrophobicContact CG1-CD1 3.83Å; V317-I647 HydrophobicContact CG1-CG1 3.93Å; V317-A648 HydrophobicContact CB-CB 3.98Å; V317-A648 HydrophobicContact CG1-CB 4.03Å; V317-A648 HydrophobicContact CG2-CB 3.82Å
318A98.9Very high98.4Very high0 Ų020 Ų200%09%0.089CC..Hα-helixtrans-67.8-39-17500000113.5A314 V315 S322 L348 C414A314-A318 PolarHBondContact O-N 2.57Å; V315-A318 PolarHBondContact O-N 3.32Å; A318-S322 WeakPolarHBondContact O-CB 3.19Å; A318-S322 PolarHBondContact O-N 3.41Å; A318-S322 PolarHBondContact O-OG 2.89Å; A318-L348 HydrophobicContact CB-CD1 4.03Å; A318-L348 HydrophobicContact CB-CD2 3.85Å; A318-C414 HydrophobicContact CB-CB 3.67Å
319I98.9Very high98Very high1 Ų121.3 Ų21.31%0.00510%0.103CC..Hα-helixtrans-71-46.4179.7-68-65.6000111.1V315 F321 S322 A323 L339 L348 V352 A629 V630 V633V315-I319 VanDerWaalsContact O-CB 3.29Å; V315-I319 WeakPolarHBondContact O-CB 3.35Å; V315-I319 VanDerWaalsContact O-CG1 3.25Å; V315-I319 WeakPolarHBondContact O-CG1 3.47Å; V315-I319 PolarHBondContact O-N 3.03Å; I319-F321 VanDerWaalsContact C-N 3.34Å; I319-F321 PolarHBondContact O-N 2.99Å; I319-S322 PolarHBondContact O-N 3.1Å; I319-S322 VanDerWaalsContact O-N 3.14Å; I319-A323 WeakPolarHBondContact O-CB 3.37Å; I319-A323 PolarHBondContact O-N 3.47Å; I319-L339 HydrophobicContact CD1-CD1 4.21Å; I319-L348 HydrophobicContact CD1-CB 3.84Å; I319-L348 HydrophobicContact CD1-CD1 4.07Å; I319-V352 HydrophobicContact CD1-CG2 4.32Å; I319-V352 HydrophobicContact CG1-CG2 4.03Å; I319-A629 HydrophobicContact CD1-CB 4.41Å; I319-A629 HydrophobicContact CG2-CB 3.99Å; I319-V630 HydrophobicContact CG2-CG2 4.18Å; I319-V633 HydrophobicContact CB-CG1 3.86Å; I319-V633 HydrophobicContact CB-CG2 4.01Å; I319-V633 HydrophobicContact CG1-CG1 3.87Å; I319-V633 HydrophobicContact CG2-CG1 4.07Å; I319-V633 HydrophobicContact CG2-CG2 3.72Å
320R98.9Very high97.5Very high3 Ų326.7 Ų26.71%0.01114%0.138CC..Hα-helixtrans-62.5-41.6176.7-72-178.2175.1170.9-1.1111.7L13 T316 T324 V633 D634 A637 D640 A648L13-R320 HydrophobicContact CD1-CB 4.24Å; L13-R320 HydrophobicContact CD1-CG 3.9Å; L13-R320 HydrophobicContact CD2-CB 4.25Å; L13-R320 HydrophobicContact CD2-CG 4.3Å; T316-R320 WeakPolarHBondContact O-CB 3.44Å; T316-R320 WeakPolarHBondContact O-CG 3.29Å; T316-R320 PolarHBondContact O-N 3.07Å; T316-R320 VanDerWaalsContact O-N 3.13Å; R320-T324 PolarHBondContact O-N 3.04Å; R320-T324 PolarHBondContact O-OG1 2.95Å; R320-V633 HydrophobicContact CG-CG2 4.23Å; R320-D634 IonicContact CZ-OD1 3.65Å; R320-D634 IonicContact NE-OD1 2.86Å; R320-D634 PolarHBondContact NE-OD1 3.12Å; R320-D634 VanDerWaalsContact NE-OD1 3.15Å; R320-D634 IonicContact NH2-OD1 3.8Å; R320-D634 PolarHBondContact NH2-OD1 3.24Å; R320-A637 VanDerWaalsContact NH2-CB 3.29Å; R320-D640 IonicContact NH1-OD1 3.55Å; R320-A648 HydrophobicContact CB-CB 4.32Å; R320-A648 WeakPolarHBondContact CD-O 3.07Å; R320-A648 PolarHBondContact NH1-O 3.31Å
321F98.9Very high97.1Very high8 Ų828.9 Ų28.94%0.03515%0.153CC..Hα-helixtrans-59.4-47.5171.2176.1-95.9000111.4V317 I319 A323 T324 R325 C418 H421 I647 L654V317-F321 WeakPolarHBondContact O-CB 3.09Å; V317-F321 PolarHBondContact O-N 3.47Å; I319-F321 VanDerWaalsContact C-N 3.34Å; I319-F321 PolarHBondContact O-N 2.99Å; F321-A323 VanDerWaalsContact C-N 3.3Å; F321-A323 PolarHBondContact O-N 3.44Å; F321-T324 PolarHBondContact O-N 2.87Å; F321-T324 PolarHBondContact O-OG1 3.18Å; F321-R325 HydrophobicContact CD1-CB 4.15Å; F321-R325 HydrophobicContact CD2-CB 4.41Å; F321-R325 HydrophobicContact CE1-CB 3.74Å; F321-R325 HydrophobicContact CE1-CG 3.83Å; F321-R325 HydrophobicContact CE2-CB 4.06Å; F321-R325 HydrophobicContact CE2-CG 4.33Å; F321-R325 HydrophobicContact CG-CB 4.47Å; F321-R325 HydrophobicContact CZ-CB 3.72Å; F321-R325 HydrophobicContact CZ-CG 3.63Å; F321-R325 WeakPolarHBondContact O-CB 3.2Å; F321-R325 PolarHBondContact O-N 2.81Å; F321-C418 HydrophobicContact CD1-CB 4.08Å; F321-C418 HydrophobicContact CE1-CB 4.22Å; F321-C418 HydrophobicContact CG-CB 4.41Å; F321-H421 HydrophobicContact CE2-CB 4.16Å; F321-H421 AromaticContact CE2-CD2 3.79Å; F321-H421 AromaticContact CZ-CD2 3.96Å; F321-I647 HydrophobicContact CB-CD1 4.43Å; F321-I647 HydrophobicContact CD2-CB 4.02Å; F321-I647 HydrophobicContact CD2-CD1 3.95Å; F321-I647 HydrophobicContact CD2-CG1 4.43Å; F321-I647 HydrophobicContact CG-CD1 4.35Å; F321-L654 HydrophobicContact CD2-CD1 3.54Å; F321-L654 HydrophobicContact CD2-CD2 4.15Å; F321-L654 HydrophobicContact CE2-CD1 3.94Å; F321-L654 HydrophobicContact CE2-CD2 4.05Å
322S98.9Very high96.4Very high0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-66.3-32.9-175.8-61.80000113.1A318 I319 T324 V338 L339 Q344 L348A318-S322 WeakPolarHBondContact O-CB 3.19Å; A318-S322 PolarHBondContact O-N 3.41Å; A318-S322 PolarHBondContact O-OG 2.89Å; I319-S322 PolarHBondContact O-N 3.1Å; I319-S322 VanDerWaalsContact O-N 3.14Å; S322-T324 VanDerWaalsContact C-N 3.29Å; S322-V338 VanDerWaalsContact CA-CG2 3.49Å; S322-V338 WeakPolarHBondContact O-CG2 3.49Å; S322-V338 PolarHBondContact O-N 2.83Å; S322-L339 WeakPolarHBondContact O-CB 3.35Å; S322-L339 PolarHBondContact O-N 2.97Å; S322-Q344 PolarHBondContact OG-NE2 3.06Å; S322-L348 WeakPolarHBondContact OG-CD1 3.1Å
323A98.8Very high95.8Very high4 Ų443.8 Ų43.83%0.03324%0.239CC..Hα-helixtrans-70.6-24.3177.400000113L13 Y16 I319 F321 P337 L339 V630L13-A323 HydrophobicContact CD2-CB 3.76Å; Y16-A323 HydrophobicContact CD2-CB 3.72Å; Y16-A323 HydrophobicContact CE2-CB 3.85Å; Y16-A323 WeakPolarHBondContact CE2-O 3.29Å; Y16-A323 HydrophobicContact CG-CB 4.38Å; I319-A323 WeakPolarHBondContact O-CB 3.37Å; I319-A323 PolarHBondContact O-N 3.47Å; F321-A323 VanDerWaalsContact C-N 3.3Å; F321-A323 PolarHBondContact O-N 3.44Å; A323-P337 WeakPolarHBondContact O-CB 3.34Å; A323-L339 HydrophobicContact CB-CD2 3.94Å; A323-V630 HydrophobicContact CB-CG2 3.66Å
324T98.2Very high95.4Very high18 Ų1849.3 Ų49.311%0.1127%0.265CS..Hα-helixtrans-110.3-29.2-173.854.90000112.9P12 L13 R320 F321 S322 K326 G652P12-T324 HydrophobicContact CB-CG2 4.07Å; L13-T324 HydrophobicContact CD2-CG2 3.68Å; L13-T324 HydrophobicContact CG-CG2 3.96Å; R320-T324 PolarHBondContact O-N 3.04Å; R320-T324 PolarHBondContact O-OG1 2.95Å; F321-T324 PolarHBondContact O-N 2.87Å; F321-T324 PolarHBondContact O-OG1 3.18Å; S322-T324 VanDerWaalsContact C-N 3.29Å; T324-K326 PolarHBondContact O-N 3.39Å; T324-G652 WeakPolarHBondContact CG2-O 3.43Å
325R98.3Very high95.3Very high55 Ų5553.9 Ų53.921%0.20829%0.286CS..  trans-71.9121.3175176.862.3-167.5-149.62.7109.8F321 P337 V338 L654 Y655F321-R325 HydrophobicContact CD1-CB 4.15Å; F321-R325 HydrophobicContact CD2-CB 4.41Å; F321-R325 HydrophobicContact CE1-CB 3.74Å; F321-R325 HydrophobicContact CE1-CG 3.83Å; F321-R325 HydrophobicContact CE2-CB 4.06Å; F321-R325 HydrophobicContact CE2-CG 4.33Å; F321-R325 HydrophobicContact CG-CB 4.47Å; F321-R325 HydrophobicContact CZ-CB 3.72Å; F321-R325 HydrophobicContact CZ-CG 3.63Å; F321-R325 WeakPolarHBondContact O-CB 3.2Å; F321-R325 PolarHBondContact O-N 2.81Å; R325-P337 CarbonylContact O-C 3.6Å; R325-P337 VanDerWaalsContact O-CA 3.27Å; R325-P337 WeakPolarHBondContact O-CA 3.49Å; R325-V338 HydrophobicContact CB-CG2 4.12Å; R325-V338 HydrophobicContact CG-CG1 4.14Å; R325-V338 HydrophobicContact CG-CG2 4.3Å; R325-V338 PolarHBondContact O-N 2.79Å; R325-L654 HydrophobicContact CB-CD2 4.03Å; R325-Y655 VanDerWaalsContact CD-OH 3.23Å; R325-Y655 WeakPolarHBondContact CD-OH 3.41Å; R325-Y655 PolarHBondContact NE-OH 2.94Å; R325-Y655 PolarHBondContact NH1-OH 2.86Å
326K97.1Very high95.2Very high107 Ų10755.6 Ų55.647%0.46529%0.294SS..BIsolated β-bridgetrans-102138.8171.7-58.9179.5174.8-1720110.1T324 E335 I336 P337T324-K326 PolarHBondContact O-N 3.39Å; K326-E335 HydrophobicContact CB-CB 3.8Å; K326-I336 VanDerWaalsContact CA-O 3.26Å; K326-I336 WeakPolarHBondContact CA-O 3.34Å; K326-P337 HydrophobicContact CG-CG 4.37Å
327Q95.4Very high95.2Very high62 Ų6256.7 Ų56.729%0.2930%0.302SS..  trans-160.1127174.4-170.572.310.800110E335 I336 V338 Y341Q327-E335 WeakPolarHBondContact CA-OE1 3.49Å; Q327-I336 PolarHBondContact N-O 3.25Å; Q327-V338 HydrophobicContact CB-CG1 3.82Å; Q327-Y341 PolarHBondContact O-OH 3.3Å
328F94.7Very high95.1Very high149 Ų14957.6 Ų57.665%0.65431%0.307SS*.  trans58.1174.2-174.6-45.7-70000112.4E335 I336 Y341F328-E335 PolarHBondContact N-OE1 3.24Å; F328-E335 CarbonylContact O-C 3.5Å; F328-E335 WeakPolarHBondContact O-CA 3.36Å; F328-I336 PolarHBondContact O-N 3.16Å; F328-Y341 PolarHBondContact O-OH 3.21Å
329G91.7Very high95.1Very high29 Ų2957.6 Ų57.630%0.29931%0.307SS..  trans179.4-174.117600000113.4S331 E334 Y341G329-S331 PolarHBondContact O-N 3.44Å; G329-E334 WeakPolarHBondContact CA-O 3.41Å; G329-Y341 PolarHBondContact N-OH 3.46Å
330P88.3Confident95.1Very high113 Ų11360.1 Ų60.173%0.73432%0.319SS*.SBendtrans-62.8-23.3-178-21.132.7000113.5I336P330-I336 HydrophobicContact CG-CG2 4.5Å
331S89.2Confident95Very high45 Ų4563.7 Ų63.732%0.31533%0.333SS..BIsolated β-bridgetrans-129.3164.2176.875.50000110.8G329 T333 E334G329-S331 PolarHBondContact O-N 3.44Å; S331-T333 PolarHBondContact O-N 2.75Å; S331-T333 PolarHBondContact OG-N 3.35Å; S331-T333 PolarHBondContact OG-OG1 2.95Å; S331-E334 PolarHBondContact OG-N 2.95Å
332N84.7Confident95Very high182 Ų18268.6 Ų68.697%0.97336%0.356SS*.THydrogen-bonded Turntrans-71.7-5.5177.2-68.3-22.2000113.8
333T86.7Confident95Very high140 Ų14073.9 Ų73.986%0.85938%0.384SS*.THydrogen-bonded Turntrans-115.7-11.3-174.251.50000113.6S331S331-T333 PolarHBondContact O-N 2.75Å; S331-T333 PolarHBondContact OG-N 3.35Å; S331-T333 PolarHBondContact OG-OG1 2.95Å
334E91.3Very high95Very high117 Ų11774.9 Ų74.955%0.54739%0.388SS..BIsolated β-bridgetrans-124.5119.2-178.5-176-178.3-175.200109.7G329 S331G329-E334 WeakPolarHBondContact CA-O 3.41Å; S331-E334 PolarHBondContact OG-N 2.95Å
335E95.8Very high95Very high95 Ų9574.4 Ų74.444%0.44438%0.384SS..  trans-95.3138.2169.8-60.5-171.9109.500111K326 Q327 F328K326-E335 HydrophobicContact CB-CB 3.8Å; Q327-E335 WeakPolarHBondContact CA-OE1 3.49Å; F328-E335 PolarHBondContact N-OE1 3.24Å; F328-E335 CarbonylContact O-C 3.5Å; F328-E335 WeakPolarHBondContact O-CA 3.36Å
336I96.8Very high95Very high37 Ų3777.3 Ų77.319%0.1940%0.395CS..  trans-107.9155.9178.265.4174.9000110.9K326 Q327 F328 P330 V338 E340 Y341K326-I336 VanDerWaalsContact CA-O 3.26Å; K326-I336 WeakPolarHBondContact CA-O 3.34Å; Q327-I336 PolarHBondContact N-O 3.25Å; F328-I336 PolarHBondContact O-N 3.16Å; P330-I336 HydrophobicContact CG-CG2 4.5Å; I336-V338 PolarHBondContact O-N 3.12Å; I336-E340 HydrophobicContact CD1-CB 3.87Å; I336-E340 HydrophobicContact CG1-CB 4.42Å; I336-Y341 HydrophobicContact CD1-CE1 4.39Å; I336-Y341 HydrophobicContact CD1-CE2 4.2Å; I336-Y341 HydrophobicContact CG1-CE2 3.88Å; I336-Y341 WeakPolarHBondContact CG1-OH 3.47Å
337P98Very high95.1Very high23 Ų2374.8 Ų74.815%0.14938%0.383CS..BIsolated β-bridgetrans-55.9138.7175.1-26.336.1000111.9Y16 A323 R325 K326 L339 E340Y16-P337 HydrophobicContact CE2-CB 4.34Å; Y16-P337 HydrophobicContact CE2-CG 4.27Å; Y16-P337 VanDerWaalsContact OH-CB 3.3Å; Y16-P337 WeakPolarHBondContact OH-CB 3.21Å; Y16-P337 WeakPolarHBondContact OH-CG 3.34Å; A323-P337 WeakPolarHBondContact O-CB 3.34Å; R325-P337 CarbonylContact O-C 3.6Å; R325-P337 VanDerWaalsContact O-CA 3.27Å; R325-P337 WeakPolarHBondContact O-CA 3.49Å; K326-P337 HydrophobicContact CG-CG 4.37Å; P337-L339 PolarHBondContact O-N 3.39Å; P337-L339 VanDerWaalsContact O-N 3.13Å; P337-E340 HydrophobicContact CB-CG 4.39Å; P337-E340 WeakPolarHBondContact O-CB 3.2Å; P337-E340 PolarHBondContact O-N 3.31Å
338V98.4Very high95.2Very high21 Ų2171.9 Ų71.913%0.12737%0.369CS..G310 helixtrans-65.4-20.8-176.9-61.70000112.4S322 R325 Q327 I336 E340 Y341 Q344S322-V338 VanDerWaalsContact CA-CG2 3.49Å; S322-V338 WeakPolarHBondContact O-CG2 3.49Å; S322-V338 PolarHBondContact O-N 2.83Å; R325-V338 HydrophobicContact CB-CG2 4.12Å; R325-V338 HydrophobicContact CG-CG1 4.14Å; R325-V338 HydrophobicContact CG-CG2 4.3Å; R325-V338 PolarHBondContact O-N 2.79Å; Q327-V338 HydrophobicContact CB-CG1 3.82Å; I336-V338 PolarHBondContact O-N 3.12Å; V338-E340 PolarHBondContact O-N 3.45Å; V338-Y341 HydrophobicContact CB-CD2 4.33Å; V338-Y341 WeakPolarHBondContact O-CD2 3.3Å; V338-Y341 PolarHBondContact O-N 3.17Å; V338-Q344 HydrophobicContact CG2-CG 4.45Å; V338-Q344 WeakPolarHBondContact O-CB 3.35Å; V338-Q344 WeakPolarHBondContact O-CG 3.49Å
339L98.6Very high95.4Very high0 Ų064.9 Ų64.90%034%0.338CS..G310 helixtrans-61.6-20.9170.8-173.459.4000113.3Y16 I319 S322 A323 P337 Y341 Q345 K626 A629Y16-L339 HydrophobicContact CD1-CD2 4.15Å; Y16-L339 HydrophobicContact CE1-CD2 3.95Å; I319-L339 HydrophobicContact CD1-CD1 4.21Å; S322-L339 WeakPolarHBondContact O-CB 3.35Å; S322-L339 PolarHBondContact O-N 2.97Å; A323-L339 HydrophobicContact CB-CD2 3.94Å; P337-L339 PolarHBondContact O-N 3.39Å; P337-L339 VanDerWaalsContact O-N 3.13Å; L339-Y341 VanDerWaalsContact C-N 3.28Å; L339-Y341 PolarHBondContact O-N 3.28Å; L339-Q345 WeakPolarHBondContact O-CG 3.47Å; L339-Q345 PolarHBondContact O-NE2 2.9Å; L339-K626 HydrophobicContact CD1-CG 4.37Å; L339-K626 HydrophobicContact CD2-CG 4.49Å; L339-K626 HydrophobicContact CG-CG 3.93Å; L339-A629 HydrophobicContact CD2-CB 4.5Å
340E98Very high95.8Very high55 Ų5563.5 Ų63.526%0.25732%0.324SS..G310 helixtrans-74.5-15.6177.6-64.1-61.115000113.4Y16 K19 I336 P337 V338 Q345 K626Y16-E340 VanDerWaalsContact CE1-OE1 3.24Å; Y16-E340 WeakPolarHBondContact CE1-OE1 3.2Å; Y16-E340 WeakPolarHBondContact OH-CG 3.34Å; Y16-E340 PolarHBondContact OH-OE1 3.04Å; K19-E340 IonicContact NZ-OE1 2.74Å; I336-E340 HydrophobicContact CD1-CB 3.87Å; I336-E340 HydrophobicContact CG1-CB 4.42Å; P337-E340 HydrophobicContact CB-CG 4.39Å; P337-E340 WeakPolarHBondContact O-CB 3.2Å; P337-E340 PolarHBondContact O-N 3.31Å; V338-E340 PolarHBondContact O-N 3.45Å; E340-Q345 VanDerWaalsContact C-NE2 3.27Å; E340-Q345 PolarHBondContact O-NE2 3.17Å; E340-K626 IonicContact OE1-NZ 2.82Å; E340-K626 WeakPolarHBondContact OE2-CE 3.41Å; E340-K626 IonicContact OE2-NZ 3.17Å; E340-K626 PolarHBondContact OE2-NZ 2.73Å
341Y98.3Very high96.3Very high77 Ų7759.1 Ų59.130%0.30229%0.293SS..SBendtrans-80.8131.5178-62.3-85.3000111.7Q327 F328 G329 I336 V338 L339 L343 Q344 Q345Q327-Y341 PolarHBondContact O-OH 3.3Å; F328-Y341 PolarHBondContact O-OH 3.21Å; G329-Y341 PolarHBondContact N-OH 3.46Å; I336-Y341 HydrophobicContact CD1-CE1 4.39Å; I336-Y341 HydrophobicContact CD1-CE2 4.2Å; I336-Y341 HydrophobicContact CG1-CE2 3.88Å; I336-Y341 WeakPolarHBondContact CG1-OH 3.47Å; V338-Y341 HydrophobicContact CB-CD2 4.33Å; V338-Y341 WeakPolarHBondContact O-CD2 3.3Å; V338-Y341 PolarHBondContact O-N 3.17Å; L339-Y341 VanDerWaalsContact C-N 3.28Å; L339-Y341 PolarHBondContact O-N 3.28Å; Y341-L343 PolarHBondContact O-N 2.8Å; Y341-L343 VanDerWaalsContact O-N 3.17Å; Y341-Q344 WeakPolarHBondContact O-CB 3.35Å; Y341-Q344 PolarHBondContact O-N 2.83Å; Y341-Q345 WeakPolarHBondContact O-CG 3.49Å; Y341-Q345 PolarHBondContact O-N 2.74Å
342Q98.1Very high96.7Very high112 Ų11257 Ų5752%0.52328%0.279SS..Hα-helixtrans-53.6-38.3178.6-177.8-18079.900112.8Q345 W346 L619Q342-Q345 PolarHBondContact O-N 3.33Å; Q342-W346 WeakPolarHBondContact O-CB 3.43Å; Q342-W346 PolarHBondContact O-N 3.31Å; Q342-L619 HydrophobicContact CG-CD2 3.84Å
343L98.3Very high97.4Very high111 Ų11148.4 Ų48.458%0.58123%0.232SC*.Hα-helixtrans-64.7-43.1177.4-178.861.4000111.9Y341 Q345 W346 R347Y341-L343 PolarHBondContact O-N 2.8Å; Y341-L343 VanDerWaalsContact O-N 3.17Å; L343-Q345 VanDerWaalsContact C-N 3.31Å; L343-Q345 PolarHBondContact O-N 2.85Å; L343-W346 HydrophobicContact CD1-CE3 4.05Å; L343-W346 HydrophobicContact CD1-CZ3 4.48Å; L343-W346 PolarHBondContact O-N 2.65Å; L343-R347 HydrophobicContact CD1-CG 4.07Å; L343-R347 HydrophobicContact CG-CG 4.48Å; L343-R347 WeakPolarHBondContact O-CB 3.35Å; L343-R347 VanDerWaalsContact O-CG 3.22Å; L343-R347 WeakPolarHBondContact O-CG 3.41Å; L343-R347 PolarHBondContact O-N 3.38Å
344Q98.6Very high98Very high24 Ų2441.7 Ų41.711%0.11219%0.191CC..Hα-helixtrans-63.6-41.1177.6-166.376.9-6.700110.8S322 V338 Y341 L348 A417S322-Q344 PolarHBondContact OG-NE2 3.06Å; V338-Q344 HydrophobicContact CG2-CG 4.45Å; V338-Q344 WeakPolarHBondContact O-CB 3.35Å; V338-Q344 WeakPolarHBondContact O-CG 3.49Å; Y341-Q344 WeakPolarHBondContact O-CB 3.35Å; Y341-Q344 PolarHBondContact O-N 2.83Å; Q344-L348 HydrophobicContact CG-CD1 4.13Å; Q344-L348 WeakPolarHBondContact O-CB 3.46Å; Q344-L348 WeakPolarHBondContact O-CG 3.48Å; Q344-L348 PolarHBondContact O-N 2.67Å; Q344-A417 PolarHBondContact NE2-O 3.49Å; Q344-A417 VanDerWaalsContact NE2-O 3.12Å
345Q98.8Very high98.4Very high8 Ų836.1 Ų36.14%0.03717%0.165CC..Hα-helixtrans-62-51.9176-66.3161.823.400111.5L339 E340 Y341 Q342 L343 R347 L348 I349 C622 K626L339-Q345 WeakPolarHBondContact O-CG 3.47Å; L339-Q345 PolarHBondContact O-NE2 2.9Å; E340-Q345 VanDerWaalsContact C-NE2 3.27Å; E340-Q345 PolarHBondContact O-NE2 3.17Å; Y341-Q345 WeakPolarHBondContact O-CG 3.49Å; Y341-Q345 PolarHBondContact O-N 2.74Å; Q342-Q345 PolarHBondContact O-N 3.33Å; L343-Q345 VanDerWaalsContact C-N 3.31Å; L343-Q345 PolarHBondContact O-N 2.85Å; Q345-R347 VanDerWaalsContact C-N 3.29Å; Q345-R347 PolarHBondContact O-N 2.89Å; Q345-L348 PolarHBondContact O-N 3.45Å; Q345-I349 HydrophobicContact CB-CD1 3.78Å; Q345-I349 HydrophobicContact CB-CG1 4.46Å; Q345-I349 HydrophobicContact CG-CD1 3.98Å; Q345-I349 WeakPolarHBondContact O-CB 3.42Å; Q345-I349 WeakPolarHBondContact O-CG1 3.38Å; Q345-I349 PolarHBondContact O-N 3.29Å; Q345-C622 HydrophobicContact CB-CB 4.11Å; Q345-K626 HydrophobicContact CG-CB 4.21Å; Q345-K626 HydrophobicContact CG-CD 4.44Å; Q345-K626 HydrophobicContact CG-CG 4.02Å
346W98.6Very high98.5Very high116 Ų11631.9 Ų31.944%0.43915%0.145SC..Hα-helixtrans-61.4-35-178.8175.679.8000112.8Q342 L343 P350 L619Q342-W346 WeakPolarHBondContact O-CB 3.43Å; Q342-W346 PolarHBondContact O-N 3.31Å; L343-W346 HydrophobicContact CD1-CE3 4.05Å; L343-W346 HydrophobicContact CD1-CZ3 4.48Å; L343-W346 PolarHBondContact O-N 2.65Å; W346-P350 WeakPolarHBondContact O-CD 3.29Å; W346-P350 VanDerWaalsContact O-CG 3.24Å; W346-P350 WeakPolarHBondContact O-CG 3.36Å; W346-L619 HydrophobicContact CB-CD2 4.38Å; W346-L619 HydrophobicContact CG-CD2 4.41Å
347R97.9Very high98.6Very high54 Ų5430.1 Ų30.120%0.20414%0.136CC..Hα-helixtrans-76.3-26.9178.5-66.7177.968.4179.66.3114L343 Q345 Y351 E413 E416L343-R347 HydrophobicContact CD1-CG 4.07Å; L343-R347 HydrophobicContact CG-CG 4.48Å; L343-R347 WeakPolarHBondContact O-CB 3.35Å; L343-R347 VanDerWaalsContact O-CG 3.22Å; L343-R347 WeakPolarHBondContact O-CG 3.41Å; L343-R347 PolarHBondContact O-N 3.38Å; Q345-R347 VanDerWaalsContact C-N 3.29Å; Q345-R347 PolarHBondContact O-N 2.89Å; R347-Y351 VanDerWaalsContact O-CD2 3.25Å; R347-Y351 WeakPolarHBondContact O-CD2 3.15Å; R347-Y351 WeakPolarHBondContact O-CE2 3.46Å; R347-E413 IonicContact CZ-OE2 3.15Å; R347-E413 IonicContact NE-OE2 3.12Å; R347-E413 PolarHBondContact NE-OE2 3.06Å; R347-E413 IonicContact NH2-OE1 2.74Å; R347-E413 IonicContact NH2-OE2 3.31Å; R347-E413 PolarHBondContact NH2-OE2 2.81Å; R347-E416 IonicContact NH2-OE2 3.03Å; R347-E416 PolarHBondContact NH2-OE2 3.37Å
348L98.9Very high98.6Very high1 Ų129 Ų291%0.00513%0.129CC..Hα-helixtrans-110.6-44.2-171.7-65.3179.5000114.6A318 I319 S322 Q344 Q345 Y351 V352 A417A318-L348 HydrophobicContact CB-CD1 4.03Å; A318-L348 HydrophobicContact CB-CD2 3.85Å; I319-L348 HydrophobicContact CD1-CB 3.84Å; I319-L348 HydrophobicContact CD1-CD1 4.07Å; S322-L348 WeakPolarHBondContact OG-CD1 3.1Å; Q344-L348 HydrophobicContact CG-CD1 4.13Å; Q344-L348 WeakPolarHBondContact O-CB 3.46Å; Q344-L348 WeakPolarHBondContact O-CG 3.48Å; Q344-L348 PolarHBondContact O-N 2.67Å; Q345-L348 PolarHBondContact O-N 3.45Å; L348-Y351 WeakPolarHBondContact O-CB 3.42Å; L348-Y351 PolarHBondContact O-N 2.99Å; L348-V352 PolarHBondContact O-N 3.08Å; L348-A417 HydrophobicContact CD1-CB 4.01Å; L348-A417 HydrophobicContact CD2-CB 3.78Å; L348-A417 HydrophobicContact CG-CB 4.14Å
349I98.9Very high98.6Very high2 Ų228.4 Ų28.41%0.0113%0.125CC..Hα-helixtrans-65.4-34.8-171.3-60.4179000112.7Q345 Y351 V352 A353 L586 C622 L625 K626Q345-I349 HydrophobicContact CB-CD1 3.78Å; Q345-I349 HydrophobicContact CB-CG1 4.46Å; Q345-I349 HydrophobicContact CG-CD1 3.98Å; Q345-I349 WeakPolarHBondContact O-CB 3.42Å; Q345-I349 WeakPolarHBondContact O-CG1 3.38Å; Q345-I349 PolarHBondContact O-N 3.29Å; I349-Y351 PolarHBondContact O-N 3.13Å; I349-V352 WeakPolarHBondContact O-CA 3.35Å; I349-V352 WeakPolarHBondContact O-CB 3.48Å; I349-V352 PolarHBondContact O-N 3.15Å; I349-A353 PolarHBondContact O-N 3.39Å; I349-L586 HydrophobicContact CB-CD2 4.45Å; I349-L586 HydrophobicContact CG2-CD2 3.66Å; I349-C622 VanDerWaalsContact CD1-O 3.23Å; I349-C622 WeakPolarHBondContact CD1-O 3.42Å; I349-L625 HydrophobicContact CG2-CB 3.75Å; I349-L625 HydrophobicContact CG2-CD1 4.12Å; I349-K626 HydrophobicContact CD1-CB 4.04Å
350P98.9Very high98.6Very high0 Ų030.3 Ų30.30%013%0.134CC..Hα-helixtrans-59.6-31.5172.2-25.735.8000113.8W346 A353 A354 L586 W590W346-P350 WeakPolarHBondContact O-CD 3.29Å; W346-P350 VanDerWaalsContact O-CG 3.24Å; W346-P350 WeakPolarHBondContact O-CG 3.36Å; P350-A353 WeakPolarHBondContact O-CB 3.42Å; P350-A353 PolarHBondContact O-N 2.96Å; P350-A354 WeakPolarHBondContact O-CB 3.42Å; P350-A354 PolarHBondContact O-N 3.26Å; P350-L586 HydrophobicContact CG-CD1 4.35Å; P350-L586 HydrophobicContact CG-CD2 4.44Å; P350-W590 HydrophobicContact CB-CB 4.18Å; P350-W590 HydrophobicContact CB-CD2 3.48Å; P350-W590 VanDerWaalsContact CB-CD2 3.48Å; P350-W590 HydrophobicContact CB-CE3 4.02Å; P350-W590 HydrophobicContact CB-CG 3.54Å; P350-W590 HydrophobicContact CB-CZ2 4.26Å; P350-W590 HydrophobicContact CG-CG 4.16Å
351Y98.9Very high98.7Very high22 Ų2227.7 Ų27.79%0.08612%0.122CC..Hα-helixtrans-73.5-28.9173.7-69.8-70000113L311 R347 L348 I349 A354 A355 T406 R409 E413 W590L311-Y351 HydrophobicContact CD1-CD1 4.05Å; L311-Y351 HydrophobicContact CD1-CG 4.35Å; R347-Y351 VanDerWaalsContact O-CD2 3.25Å; R347-Y351 WeakPolarHBondContact O-CD2 3.15Å; R347-Y351 WeakPolarHBondContact O-CE2 3.46Å; L348-Y351 WeakPolarHBondContact O-CB 3.42Å; L348-Y351 PolarHBondContact O-N 2.99Å; I349-Y351 PolarHBondContact O-N 3.13Å; Y351-A354 PolarHBondContact O-N 2.92Å; Y351-A355 WeakPolarHBondContact O-CB 3.37Å; Y351-A355 PolarHBondContact O-N 3.46Å; Y351-T406 HydrophobicContact CD1-CG2 4.21Å; Y351-T406 HydrophobicContact CE1-CG2 4.23Å; Y351-R409 HydrophobicContact CE1-CB 4.5Å; Y351-R409 WeakPolarHBondContact OH-CB 3.25Å; Y351-E413 HydrophobicContact CE2-CB 4.03Å; Y351-E413 HydrophobicContact CE2-CG 3.9Å; Y351-W590 AromaticContact CD1-CH2 3.92Å; Y351-W590 HydrophobicContact CD1-CH2 3.92Å; Y351-W590 HydrophobicContact CD1-CZ2 4.36Å; Y351-W590 AromaticContact CE1-CH2 3.6Å; Y351-W590 HydrophobicContact CE1-CH2 3.6Å; Y351-W590 AromaticContact CE1-CZ2 3.85Å; Y351-W590 HydrophobicContact CE1-CZ2 3.85Å; Y351-W590 HydrophobicContact CE2-CZ2 4.28Å; Y351-W590 AromaticContact CZ-CZ2 3.79Å
352V98.9Very high98.7Very high1 Ų124.2 Ų24.21%0.00611%0.108CC..Hα-helixtrans-63.9-45.6167.6-178.70000109.6V315 I319 L348 I349 A354 A355 Y356 L632 V633V315-V352 HydrophobicContact CB-CG2 4.24Å; V315-V352 HydrophobicContact CG2-CG2 4.42Å; I319-V352 HydrophobicContact CD1-CG2 4.32Å; I319-V352 HydrophobicContact CG1-CG2 4.03Å; L348-V352 PolarHBondContact O-N 3.08Å; I349-V352 WeakPolarHBondContact O-CA 3.35Å; I349-V352 WeakPolarHBondContact O-CB 3.48Å; I349-V352 PolarHBondContact O-N 3.15Å; V352-A354 PolarHBondContact O-N 3.23Å; V352-A355 WeakPolarHBondContact O-CB 3.23Å; V352-A355 PolarHBondContact O-N 3.06Å; V352-A355 VanDerWaalsContact O-N 3.15Å; V352-Y356 HydrophobicContact CG1-CD2 4.29Å; V352-Y356 HydrophobicContact CG1-CE2 4.18Å; V352-Y356 WeakPolarHBondContact O-CD2 3.38Å; V352-Y356 PolarHBondContact O-N 3.38Å; V352-L632 HydrophobicContact CG1-CB 4.01Å; V352-L632 HydrophobicContact CG1-CD1 4.19Å; V352-V633 HydrophobicContact CG2-CG1 4.18Å
353A98.9Very high98.6Very high0 Ų021.6 Ų21.60%010%0.095CC..Hα-helixtrans-59.1-45.9175.300000112.1I349 P350 A355 Y356 V357 L583 L586I349-A353 PolarHBondContact O-N 3.39Å; P350-A353 WeakPolarHBondContact O-CB 3.42Å; P350-A353 PolarHBondContact O-N 2.96Å; A353-A355 VanDerWaalsContact C-N 3.3Å; A353-A355 PolarHBondContact O-N 2.76Å; A353-Y356 PolarHBondContact O-N 2.85Å; A353-V357 WeakPolarHBondContact O-CG2 3.31Å; A353-V357 PolarHBondContact O-N 2.89Å; A353-L583 HydrophobicContact CB-CB 4.39Å; A353-L583 HydrophobicContact CB-CD2 3.97Å; A353-L586 HydrophobicContact CB-CB 4.24Å; A353-L586 HydrophobicContact CB-CD2 4.11Å; A353-L586 HydrophobicContact CB-CG 4.18Å
354A98.9Very high98.6Very high0 Ų017.9 Ų17.90%08%0.077CC..Hα-helixtrans-58.8-39.7174.700000112.3L311 P350 Y351 V352 Y356 V357 L358 T406 Y587 W590L311-A354 HydrophobicContact CD2-CB 4.41Å; P350-A354 WeakPolarHBondContact O-CB 3.42Å; P350-A354 PolarHBondContact O-N 3.26Å; Y351-A354 PolarHBondContact O-N 2.92Å; V352-A354 PolarHBondContact O-N 3.23Å; A354-Y356 PolarHBondContact O-N 3.44Å; A354-V357 PolarHBondContact O-N 3.03Å; A354-L358 VanDerWaalsContact O-CB 3.22Å; A354-L358 WeakPolarHBondContact O-CB 3.35Å; A354-L358 VanDerWaalsContact O-CG 3.23Å; A354-L358 WeakPolarHBondContact O-CG 3.48Å; A354-L358 PolarHBondContact O-N 3.34Å; A354-T406 HydrophobicContact CB-CG2 4.15Å; A354-Y587 HydrophobicContact CB-CD2 3.85Å; A354-Y587 HydrophobicContact CB-CE2 3.99Å; A354-W590 HydrophobicContact CB-CZ3 4.18Å
355A98.9Very high98.5Very high0 Ų016.8 Ų16.80%07%0.072CC..Hα-helixtrans-60.4-43.3177.600000112.1L308 K312 Y351 V352 A353 E359 L636L308-A355 HydrophobicContact CD1-CB 3.99Å; L308-A355 WeakPolarHBondContact CD1-O 3.38Å; K312-A355 HydrophobicContact CG-CB 4.19Å; Y351-A355 WeakPolarHBondContact O-CB 3.37Å; Y351-A355 PolarHBondContact O-N 3.46Å; V352-A355 WeakPolarHBondContact O-CB 3.23Å; V352-A355 PolarHBondContact O-N 3.06Å; V352-A355 VanDerWaalsContact O-N 3.15Å; A353-A355 VanDerWaalsContact C-N 3.3Å; A353-A355 PolarHBondContact O-N 2.76Å; A355-E359 WeakPolarHBondContact O-CB 3.34Å; A355-E359 PolarHBondContact O-N 3.25Å; A355-L636 HydrophobicContact CB-CD1 3.99Å
356Y98.9Very high98.4Very high5 Ų517.8 Ų17.82%0.028%0.076CC..Hα-helixtrans-70-42.1177.8-84.5-100.7000113.2M27 I31 V352 A353 A354 E359 H360 F563 L580 L583 L632 V635 L636M27-Y356 HydrophobicContact CG-CE1 4.12Å; M27-Y356 HydrophobicContact SD-CE1 4.16Å; I31-Y356 HydrophobicContact CD1-CD1 4.14Å; I31-Y356 HydrophobicContact CD1-CE1 3.72Å; V352-Y356 HydrophobicContact CG1-CD2 4.29Å; V352-Y356 HydrophobicContact CG1-CE2 4.18Å; V352-Y356 WeakPolarHBondContact O-CD2 3.38Å; V352-Y356 PolarHBondContact O-N 3.38Å; A353-Y356 PolarHBondContact O-N 2.85Å; A354-Y356 PolarHBondContact O-N 3.44Å; Y356-E359 WeakPolarHBondContact O-CB 3.42Å; Y356-E359 PolarHBondContact O-N 3.28Å; Y356-H360 PolarHBondContact O-N 3.28Å; Y356-F563 WeakPolarHBondContact O-CE2 3.16Å; Y356-L580 HydrophobicContact CD1-CD2 4.12Å; Y356-L583 HydrophobicContact CD1-CD1 4.02Å; Y356-L583 HydrophobicContact CD2-CD1 4.04Å; Y356-L583 HydrophobicContact CE1-CD1 4.44Å; Y356-L583 HydrophobicContact CE2-CD1 4.48Å; Y356-L583 HydrophobicContact CG-CD1 3.79Å; Y356-L632 HydrophobicContact CE1-CD2 4.17Å; Y356-L632 HydrophobicContact CE2-CB 4.07Å; Y356-L632 HydrophobicContact CE2-CD2 3.84Å; Y356-L632 WeakPolarHBondContact OH-CA 3.22Å; Y356-L632 WeakPolarHBondContact OH-CD2 3.24Å; Y356-L632 PolarHBondContact OH-O 3.14Å; Y356-V635 WeakPolarHBondContact OH-CB 3.2Å; Y356-L636 HydrophobicContact CD2-CD1 4.36Å; Y356-L636 HydrophobicContact CD2-CD2 4.39Å; Y356-L636 HydrophobicContact CE2-CD1 3.91Å; Y356-L636 HydrophobicContact CE2-CD2 3.96Å; Y356-L636 HydrophobicContact CE2-CG 4.04Å
357V98.9Very high98.2Very high0 Ų015.7 Ų15.70%07%0.072CC..Hα-helixtrans-63.2-46.6177.4171.80000110.7A353 A354 E359 H360 F361 C559 F563 Y587A353-V357 WeakPolarHBondContact O-CG2 3.31Å; A353-V357 PolarHBondContact O-N 2.89Å; A354-V357 PolarHBondContact O-N 3.03Å; V357-E359 VanDerWaalsContact C-N 3.34Å; V357-E359 PolarHBondContact O-N 3.27Å; V357-H360 PolarHBondContact O-N 3.43Å; V357-F361 WeakPolarHBondContact O-CB 3.18Å; V357-F361 PolarHBondContact O-N 3.25Å; V357-C559 HydrophobicContact CG1-CB 3.91Å; V357-F563 HydrophobicContact CB-CB 4.42Å; V357-F563 HydrophobicContact CB-CG 4.29Å; V357-F563 HydrophobicContact CG1-CB 4.07Å; V357-F563 HydrophobicContact CG1-CG 4.47Å; V357-F563 HydrophobicContact CG2-CB 4.11Å; V357-F563 HydrophobicContact CG2-CD1 3.57Å; V357-F563 HydrophobicContact CG2-CD2 4.28Å; V357-F563 HydrophobicContact CG2-CE1 3.96Å; V357-F563 HydrophobicContact CG2-CG 3.73Å; V357-F563 HydrophobicContact CG2-CZ 4.46Å; V357-Y587 HydrophobicContact CB-CD1 4.11Å; V357-Y587 HydrophobicContact CB-CD2 4.3Å; V357-Y587 HydrophobicContact CB-CE1 4.37Å; V357-Y587 HydrophobicContact CB-CG 4.07Å; V357-Y587 HydrophobicContact CG1-CD1 3.76Å; V357-Y587 HydrophobicContact CG1-CE1 3.64Å; V357-Y587 HydrophobicContact CG1-CE2 4.42Å; V357-Y587 HydrophobicContact CG1-CG 4.22Å; V357-Y587 HydrophobicContact CG2-CD1 3.8Å; V357-Y587 HydrophobicContact CG2-CD2 4.31Å; V357-Y587 HydrophobicContact CG2-CG 3.67Å
358L98.8Very high98.1Very high1 Ų114.5 Ų14.51%0.0057%0.069CC..Hα-helixtrans-69.3-31.3178.6-68.3174.1000112.2L308 A354 F361 T362 L402 T406L308-L358 HydrophobicContact CD1-CB 3.96Å; L308-L358 HydrophobicContact CD2-CB 4.05Å; L308-L358 HydrophobicContact CG-CB 4.4Å; A354-L358 VanDerWaalsContact O-CB 3.22Å; A354-L358 WeakPolarHBondContact O-CB 3.35Å; A354-L358 VanDerWaalsContact O-CG 3.23Å; A354-L358 WeakPolarHBondContact O-CG 3.48Å; A354-L358 PolarHBondContact O-N 3.34Å; L358-F361 HydrophobicContact CD2-CD1 4.44Å; L358-F361 PolarHBondContact O-N 2.68Å; L358-T362 WeakPolarHBondContact O-CB 3.06Å; L358-T362 VanDerWaalsContact O-CG2 3.25Å; L358-T362 WeakPolarHBondContact O-CG2 3.36Å; L358-T362 PolarHBondContact O-N 3.36Å; L358-T362 PolarHBondContact O-OG1 3.29Å; L358-L402 HydrophobicContact CD2-CD2 4.48Å; L358-T406 HydrophobicContact CD1-CG2 4.49Å
359E98.4Very high97.9Very high7 Ų715.4 Ų15.43%0.0337%0.073CC..Hα-helixtrans-57-51.2173.518071.9-136.900110.6I31 R305 L308 K312 A355 Y356 V357 T362 K363I31-E359 HydrophobicContact CG2-CG 3.9Å; R305-E359 IonicContact CZ-OE1 2.74Å; R305-E359 IonicContact CZ-OE2 3.78Å; R305-E359 IonicContact NH1-OE1 3.56Å; R305-E359 PolarHBondContact NH1-OE1 2.92Å; R305-E359 IonicContact NH1-OE2 3.21Å; R305-E359 PolarHBondContact NH1-OE2 3.29Å; R305-E359 VanDerWaalsContact NH1-OE2 3.15Å; R305-E359 IonicContact NH2-OE1 3.5Å; R305-E359 PolarHBondContact NH2-OE1 3.47Å; R305-E359 IonicContact NH2-OE2 2.72Å; R305-E359 PolarHBondContact NH2-OE2 3.02Å; L308-E359 VanDerWaalsContact CD2-CA 3.44Å; L308-E359 HydrophobicContact CD2-CB 4.12Å; L308-E359 VanDerWaalsContact CD2-N 3.35Å; K312-E359 IonicContact NZ-OE2 2.93Å; K312-E359 PolarHBondContact NZ-OE2 2.93Å; A355-E359 WeakPolarHBondContact O-CB 3.34Å; A355-E359 PolarHBondContact O-N 3.25Å; Y356-E359 WeakPolarHBondContact O-CB 3.42Å; Y356-E359 PolarHBondContact O-N 3.28Å; V357-E359 VanDerWaalsContact C-N 3.34Å; V357-E359 PolarHBondContact O-N 3.27Å; E359-T362 PolarHBondContact O-OG1 3.33Å; E359-K363 WeakPolarHBondContact O-CB 3.23Å; E359-K363 PolarHBondContact O-N 2.87Å
360H98.4Very high97.6Very high40 Ų4016.2 Ų16.219%0.1858%0.077CC..Hα-helixtrans-68.8-42.7177.9-175.968.6000112.6Y356 V357 K363 T364 R562 F563 L566Y356-H360 PolarHBondContact O-N 3.28Å; V357-H360 PolarHBondContact O-N 3.43Å; H360-K363 PolarHBondContact O-N 2.81Å; H360-T364 VanDerWaalsContact CE1-CG2 3.47Å; H360-T364 WeakPolarHBondContact CE1-CG2 3.42Å; H360-T364 WeakPolarHBondContact O-CG2 3.42Å; H360-T364 PolarHBondContact O-N 3.16Å; H360-T364 PolarHBondContact O-OG1 3.35Å; H360-R562 PolarHBondContact CD2-O 3.16Å; H360-R562 PolarHBondContact NE2-O 3.36Å; H360-F563 HydrophobicContact CB-CD2 3.75Å; H360-F563 HydrophobicContact CB-CE2 4.29Å; H360-L566 HydrophobicContact CB-CD2 4.35Å
361F98.7Very high97.3Very high1 Ų119.7 Ų19.70%0.0049%0.094CC..Hα-helixtrans-57.7-52.3177.4169.4-96.9000111.4T304 V357 L358 K363 T364 I365 I395 I555 C558 C559T304-F361 HydrophobicContact CG2-CE1 4.31Å; V357-F361 WeakPolarHBondContact O-CB 3.18Å; V357-F361 PolarHBondContact O-N 3.25Å; L358-F361 HydrophobicContact CD2-CD1 4.44Å; L358-F361 PolarHBondContact O-N 2.68Å; F361-K363 PolarHBondContact O-N 3.22Å; F361-T364 PolarHBondContact O-N 3.22Å; F361-T364 PolarHBondContact O-OG1 2.95Å; F361-T364 VanDerWaalsContact O-OG1 3.1Å; F361-I365 HydrophobicContact CD1-CG2 4.47Å; F361-I365 HydrophobicContact CE1-CG2 4.06Å; F361-I365 HydrophobicContact CE2-CB 4.49Å; F361-I365 HydrophobicContact CZ-CB 4.34Å; F361-I365 HydrophobicContact CZ-CG2 4.14Å; F361-I365 VanDerWaalsContact O-CG2 3.22Å; F361-I365 WeakPolarHBondContact O-CG2 3.26Å; F361-I365 PolarHBondContact O-N 3.31Å; F361-I395 HydrophobicContact CE2-CG2 4.27Å; F361-I395 HydrophobicContact CZ-CG2 3.75Å; F361-I555 HydrophobicContact CE2-CD1 4.01Å; F361-I555 HydrophobicContact CZ-CD1 3.71Å; F361-C558 HydrophobicContact CE2-CB 4.44Å; F361-C559 HydrophobicContact CB-CB 4.44Å; F361-C559 HydrophobicContact CD2-CB 4.28Å; F361-C559 VanDerWaalsContact CD2-SG 3.56Å; F361-C559 HydrophobicContact CG-CB 4.35Å; F361-C559 VanDerWaalsContact CG-SG 3.54Å
362T98.2Very high97Very high3 Ų320.4 Ų20.42%0.01810%0.097CC..Hα-helixtrans-63.4-39.4-177.253.10000112.4T304 R305 L308 L358 E359 I365 Y366T304-T362 HydrophobicContact CG2-CG2 3.79Å; R305-T362 HydrophobicContact CB-CG2 4.25Å; R305-T362 WeakPolarHBondContact CD-OG1 3.25Å; R305-T362 PolarHBondContact NH1-OG1 3.02Å; R305-T362 VanDerWaalsContact NH1-OG1 3.08Å; L308-T362 HydrophobicContact CD2-CG2 4.48Å; L358-T362 WeakPolarHBondContact O-CB 3.06Å; L358-T362 VanDerWaalsContact O-CG2 3.25Å; L358-T362 WeakPolarHBondContact O-CG2 3.36Å; L358-T362 PolarHBondContact O-N 3.36Å; L358-T362 PolarHBondContact O-OG1 3.29Å; E359-T362 PolarHBondContact O-OG1 3.33Å; T362-I365 WeakPolarHBondContact O-CG2 3.47Å; T362-Y366 VanDerWaalsContact O-CB 3.23Å; T362-Y366 WeakPolarHBondContact O-CB 3.34Å; T362-Y366 PolarHBondContact O-N 3.04Å; T362-Y366 VanDerWaalsContact O-N 3.13Å
363K97.1Very high96.5Very high58 Ų5824.4 Ų24.425%0.25212%0.116SC..Hα-helixtrans-62.1-50.6174.4-174.7176.6-175.2-178.20111.8I31 W93 E359 H360 F361 Y366 M367I31-K363 PolarHBondContact O-NZ 3.29Å; W93-K363 HydrophobicContact CD2-CG 4.27Å; W93-K363 HydrophobicContact CE3-CG 4.46Å; W93-K363 VanDerWaalsContact CH2-CA 3.47Å; W93-K363 HydrophobicContact CH2-CB 3.74Å; W93-K363 HydrophobicContact CH2-CG 4.01Å; W93-K363 HydrophobicContact CZ2-CB 3.8Å; W93-K363 HydrophobicContact CZ2-CD 4.23Å; W93-K363 HydrophobicContact CZ2-CG 3.76Å; W93-K363 HydrophobicContact CZ3-CB 4.32Å; W93-K363 HydrophobicContact CZ3-CG 4.34Å; E359-K363 WeakPolarHBondContact O-CB 3.23Å; E359-K363 PolarHBondContact O-N 2.87Å; H360-K363 PolarHBondContact O-N 2.81Å; F361-K363 PolarHBondContact O-N 3.22Å; K363-Y366 PolarHBondContact O-N 3.11Å; K363-M367 WeakPolarHBondContact O-CG 3.32Å; K363-M367 PolarHBondContact O-N 3.24Å; K363-M367 VanDerWaalsContact O-N 3.14Å
364T97.4Very high96Very high33 Ų3329.1 Ų29.120%0.20214%0.136CC..Hα-helixtrans-71.5-38.9-174.655.80000113H360 F361 Y366 M367 N368 R562H360-T364 VanDerWaalsContact CE1-CG2 3.47Å; H360-T364 WeakPolarHBondContact CE1-CG2 3.42Å; H360-T364 WeakPolarHBondContact O-CG2 3.42Å; H360-T364 PolarHBondContact O-N 3.16Å; H360-T364 PolarHBondContact O-OG1 3.35Å; F361-T364 PolarHBondContact O-N 3.22Å; F361-T364 PolarHBondContact O-OG1 2.95Å; F361-T364 VanDerWaalsContact O-OG1 3.1Å; T364-Y366 VanDerWaalsContact C-N 3.34Å; T364-M367 PolarHBondContact O-N 2.89Å; T364-N368 PolarHBondContact O-N 3.32Å; T364-N368 VanDerWaalsContact O-N 3.15Å; T364-N368 PolarHBondContact O-OD1 3.26Å; T364-R562 VanDerWaalsContact C-NH1 3.29Å; T364-R562 PolarHBondContact OG1-NH1 2.91Å
365I97.3Very high95.5Very high0 Ų029.3 Ų29.30%014%0.138CC..Hα-helixtrans-69.4-33.3176.3-169.660.3000111.9I301 F361 T362 M367 N368 F369 I395I301-I365 HydrophobicContact CD1-CG1 4.13Å; I301-I365 HydrophobicContact CG1-CG1 4.47Å; I301-I365 HydrophobicContact CG2-CG2 3.81Å; F361-I365 HydrophobicContact CD1-CG2 4.47Å; F361-I365 HydrophobicContact CE1-CG2 4.06Å; F361-I365 HydrophobicContact CE2-CB 4.49Å; F361-I365 HydrophobicContact CZ-CB 4.34Å; F361-I365 HydrophobicContact CZ-CG2 4.14Å; F361-I365 VanDerWaalsContact O-CG2 3.22Å; F361-I365 WeakPolarHBondContact O-CG2 3.26Å; F361-I365 PolarHBondContact O-N 3.31Å; T362-I365 WeakPolarHBondContact O-CG2 3.47Å; I365-M367 VanDerWaalsContact C-N 3.32Å; I365-N368 HydrophobicContact CD1-CB 4.37Å; I365-N368 PolarHBondContact O-N 3.32Å; I365-F369 PolarHBondContact O-N 3.25Å; I365-I395 HydrophobicContact CD1-CB 4.37Å; I365-I395 HydrophobicContact CD1-CD1 3.73Å; I365-I395 HydrophobicContact CD1-CG2 3.84Å; I365-I395 HydrophobicContact CG1-CG2 3.82Å
366Y96Very high94.8Very high30 Ų3034.1 Ų34.112%0.11816%0.161CC..Hα-helixtrans-63-40.6172.7178.9-97.5000111.3P92 W93 V96 T362 K363 T364 N368 F369 I370P92-Y366 HydrophobicContact CB-CE1 4.43Å; P92-Y366 PolarHBondContact O-OH 2.79Å; W93-Y366 AromaticContact CE3-CD1 3.48Å; W93-Y366 HydrophobicContact CE3-CD1 3.48Å; W93-Y366 VanDerWaalsContact CE3-CD1 3.48Å; W93-Y366 AromaticContact CE3-CE1 3.91Å; W93-Y366 HydrophobicContact CE3-CE1 3.91Å; W93-Y366 HydrophobicContact CE3-CG 4.17Å; W93-Y366 AromaticContact CZ3-CD1 3.73Å; W93-Y366 HydrophobicContact CZ3-CD1 3.73Å; W93-Y366 HydrophobicContact CZ3-CE1 4.44Å; W93-Y366 AromaticContact CZ3-CG 3.93Å; W93-Y366 HydrophobicContact CZ3-CG 3.93Å; V96-Y366 HydrophobicContact CG2-CD1 4.08Å; V96-Y366 HydrophobicContact CG2-CD2 3.81Å; V96-Y366 HydrophobicContact CG2-CE1 3.69Å; V96-Y366 HydrophobicContact CG2-CE2 3.42Å; V96-Y366 VanDerWaalsContact CG2-CE2 3.42Å; V96-Y366 HydrophobicContact CG2-CG 4.1Å; T362-Y366 VanDerWaalsContact O-CB 3.23Å; T362-Y366 WeakPolarHBondContact O-CB 3.34Å; T362-Y366 PolarHBondContact O-N 3.04Å; T362-Y366 VanDerWaalsContact O-N 3.13Å; K363-Y366 PolarHBondContact O-N 3.11Å; T364-Y366 VanDerWaalsContact C-N 3.34Å; Y366-N368 VanDerWaalsContact C-N 3.33Å; Y366-N368 PolarHBondContact O-N 3.27Å; Y366-F369 CarbonylContact O-C 3.49Å; Y366-F369 WeakPolarHBondContact O-CA 3.27Å; Y366-F369 WeakPolarHBondContact O-CB 3.2Å; Y366-F369 PolarHBondContact O-N 3.42Å; Y366-F369 VanDerWaalsContact O-N 3.08Å; Y366-I370 HydrophobicContact CD1-CG1 3.97Å; Y366-I370 HydrophobicContact CE1-CD1 3.99Å; Y366-I370 HydrophobicContact CE1-CG1 3.58Å; Y366-I370 HydrophobicContact CE2-CD1 4.32Å; Y366-I370 HydrophobicContact CE2-CG1 4.43Å; Y366-I370 WeakPolarHBondContact O-CG1 3.21Å; Y366-I370 PolarHBondContact O-N 3.27Å
367M95.4Very high94Very high72 Ų7240.3 Ų40.336%0.35519%0.194SC..Hα-helixtrans-63.3-38.1175-67.3-58.8174.600112.7W93 K363 T364 I365 F369 I370 E371W93-M367 HydrophobicContact CB-CE 3.63Å; W93-M367 HydrophobicContact CD2-CE 4.26Å; W93-M367 HydrophobicContact CE3-CE 4.23Å; W93-M367 HydrophobicContact CG-CE 4.03Å; K363-M367 WeakPolarHBondContact O-CG 3.32Å; K363-M367 PolarHBondContact O-N 3.24Å; K363-M367 VanDerWaalsContact O-N 3.14Å; T364-M367 PolarHBondContact O-N 2.89Å; I365-M367 VanDerWaalsContact C-N 3.32Å; M367-F369 VanDerWaalsContact C-N 3.31Å; M367-F369 PolarHBondContact O-N 3.43Å; M367-I370 PolarHBondContact O-N 3.38Å; M367-E371 PolarHBondContact O-N 2.68Å
368N95.9Very high93.5Very high29 Ų2947 Ų4716%0.15523%0.227CC..Hα-helixtrans-64-36.7171.5-63.7141.9000112.2T364 I365 Y366 E371 F372 F475 R562T364-N368 PolarHBondContact O-N 3.32Å; T364-N368 VanDerWaalsContact O-N 3.15Å; T364-N368 PolarHBondContact O-OD1 3.26Å; I365-N368 HydrophobicContact CD1-CB 4.37Å; I365-N368 PolarHBondContact O-N 3.32Å; Y366-N368 VanDerWaalsContact C-N 3.33Å; Y366-N368 PolarHBondContact O-N 3.27Å; N368-E371 WeakPolarHBondContact O-CB 3.36Å; N368-E371 PolarHBondContact O-N 3.13Å; N368-F372 PolarHBondContact O-N 3.29Å; N368-F475 HydrophobicContact CB-CD1 3.93Å; N368-F475 HydrophobicContact CB-CD2 4.42Å; N368-F475 HydrophobicContact CB-CE1 3.59Å; N368-F475 HydrophobicContact CB-CE2 4.18Å; N368-F475 HydrophobicContact CB-CG 4.33Å; N368-F475 HydrophobicContact CB-CZ 3.74Å; N368-R562 PolarHBondContact OD1-NH1 3.2Å; N368-R562 PolarHBondContact OD1-NH2 3.48Å
369F94.1Very high92.7Very high19 Ų1955.8 Ų55.88%0.08327%0.265CS..Hα-helixtrans-65.3-39.8173.8176.1-106000112.4G298 I301 I365 Y366 M367 F372 Q373 I392G298-F369 VanDerWaalsContact CA-CZ 3.43Å; I301-F369 HydrophobicContact CD1-CB 4.14Å; I301-F369 HydrophobicContact CD1-CD2 4.35Å; I301-F369 HydrophobicContact CD1-CG 4.39Å; I365-F369 PolarHBondContact O-N 3.25Å; Y366-F369 CarbonylContact O-C 3.49Å; Y366-F369 WeakPolarHBondContact O-CA 3.27Å; Y366-F369 WeakPolarHBondContact O-CB 3.2Å; Y366-F369 PolarHBondContact O-N 3.42Å; Y366-F369 VanDerWaalsContact O-N 3.08Å; M367-F369 VanDerWaalsContact C-N 3.31Å; M367-F369 PolarHBondContact O-N 3.43Å; F369-F372 HydrophobicContact CD2-CD1 4.46Å; F369-F372 WeakPolarHBondContact O-CB 3.45Å; F369-F372 PolarHBondContact O-N 2.92Å; F369-Q373 HydrophobicContact CD1-CG 4.34Å; F369-Q373 HydrophobicContact CE1-CG 3.92Å; F369-Q373 HydrophobicContact CE2-CG 4.22Å; F369-Q373 HydrophobicContact CZ-CG 3.87Å; F369-Q373 WeakPolarHBondContact O-CG 3.42Å; F369-Q373 PolarHBondContact O-N 2.82Å; F369-I392 HydrophobicContact CD2-CD1 4.3Å; F369-I392 HydrophobicContact CD2-CG2 3.86Å; F369-I392 HydrophobicContact CE2-CG2 4.47Å
370I92.6Very high92Very high19 Ų1960 Ų6010%0.09728%0.284CS..Hα-helixtrans-64-44174.3-69-59.9000111.2P92 Y366 M367 F372 Q373 F374P92-I370 HydrophobicContact CB-CD1 3.91Å; P92-I370 HydrophobicContact CB-CG1 4.06Å; P92-I370 HydrophobicContact CB-CG2 4.3Å; P92-I370 HydrophobicContact CG-CG2 4.12Å; Y366-I370 HydrophobicContact CD1-CG1 3.97Å; Y366-I370 HydrophobicContact CE1-CD1 3.99Å; Y366-I370 HydrophobicContact CE1-CG1 3.58Å; Y366-I370 HydrophobicContact CE2-CD1 4.32Å; Y366-I370 HydrophobicContact CE2-CG1 4.43Å; Y366-I370 WeakPolarHBondContact O-CG1 3.21Å; Y366-I370 PolarHBondContact O-N 3.27Å; M367-I370 PolarHBondContact O-N 3.38Å; I370-F372 VanDerWaalsContact C-N 3.31Å; I370-F372 PolarHBondContact O-N 3.27Å; I370-Q373 PolarHBondContact O-N 2.92Å; I370-Q373 VanDerWaalsContact O-N 3.14Å; I370-F374 HydrophobicContact CG2-CD2 3.55Å; I370-F374 HydrophobicContact CG2-CE2 3.4Å; I370-F374 VanDerWaalsContact CG2-CE2 3.4Å; I370-F374 VanDerWaalsContact O-CD2 3.26Å; I370-F374 WeakPolarHBondContact O-CD2 3.43Å; I370-F374 PolarHBondContact O-N 3.05Å
371E93.4Very high91Very high74 Ų7466.1 Ų66.135%0.34632%0.318SS..Hα-helixtrans-54.3-48.3173.1-172.3-165.6158.600111.1M367 N368 Q373 F374 G375 R384 M388M367-E371 PolarHBondContact O-N 2.68Å; N368-E371 WeakPolarHBondContact O-CB 3.36Å; N368-E371 PolarHBondContact O-N 3.13Å; E371-Q373 PolarHBondContact O-N 3.09Å; E371-F374 PolarHBondContact O-N 3.07Å; E371-G375 PolarHBondContact O-N 3.5Å; E371-G375 VanDerWaalsContact O-N 3.1Å; E371-R384 IonicContact OE1-CZ 2.73Å; E371-R384 IonicContact OE1-NH1 2.74Å; E371-R384 PolarHBondContact OE1-NH1 3.49Å; E371-R384 IonicContact OE1-NH2 2.76Å; E371-R384 PolarHBondContact OE1-NH2 2.9Å; E371-M388 HydrophobicContact CB-CE 4.15Å; E371-M388 HydrophobicContact CG-CE 3.82Å
372F91.4Very high90.5Very high36 Ų3668.4 Ų68.416%0.15834%0.335CS..Hα-helixtrans-59.6-45.9175.3170-106.7000112.2N368 F369 I370 F374 G375 Q376 Q385 M388 I392N368-F372 PolarHBondContact O-N 3.29Å; F369-F372 HydrophobicContact CD2-CD1 4.46Å; F369-F372 WeakPolarHBondContact O-CB 3.45Å; F369-F372 PolarHBondContact O-N 2.92Å; I370-F372 VanDerWaalsContact C-N 3.31Å; I370-F372 PolarHBondContact O-N 3.27Å; F372-F374 VanDerWaalsContact C-N 3.33Å; F372-F374 PolarHBondContact O-N 3.11Å; F372-G375 PolarHBondContact O-N 3.16Å; F372-Q376 HydrophobicContact CD2-CG 4.49Å; F372-Q376 HydrophobicContact CE1-CG 4.05Å; F372-Q376 HydrophobicContact CE2-CG 4.01Å; F372-Q376 HydrophobicContact CZ-CG 3.77Å; F372-Q376 WeakPolarHBondContact O-CG 3.49Å; F372-Q376 PolarHBondContact O-N 3.27Å; F372-Q385 HydrophobicContact CE2-CG 4.45Å; F372-Q385 WeakPolarHBondContact CE2-O 3.5Å; F372-Q385 PolarHBondContact O-NE2 3.47Å; F372-M388 HydrophobicContact CB-CE 4.01Å; F372-M388 HydrophobicContact CD2-CB 3.97Å; F372-I392 HydrophobicContact CB-CD1 3.37Å; F372-I392 HydrophobicContact CD1-CD1 3.91Å; F372-I392 HydrophobicContact CD2-CD1 4.41Å; F372-I392 HydrophobicContact CG-CD1 3.64Å
373Q88.3Confident90Very high86 Ų8675.3 Ų75.340%0.40237%0.371SS..Hα-helixtrans-62-39.5178.8-75.9-166.9-29.900112.7F369 I370 E371 Q376 L377F369-Q373 HydrophobicContact CD1-CG 4.34Å; F369-Q373 HydrophobicContact CE1-CG 3.92Å; F369-Q373 HydrophobicContact CE2-CG 4.22Å; F369-Q373 HydrophobicContact CZ-CG 3.87Å; F369-Q373 WeakPolarHBondContact O-CG 3.42Å; F369-Q373 PolarHBondContact O-N 2.82Å; I370-Q373 PolarHBondContact O-N 2.92Å; I370-Q373 VanDerWaalsContact O-N 3.14Å; E371-Q373 PolarHBondContact O-N 3.09Å; Q373-Q376 PolarHBondContact O-N 3.36Å; Q373-L377 WeakPolarHBondContact O-CG 3.48Å; Q373-L377 PolarHBondContact O-N 3.32Å
374F89.1Confident89.7Confident98 Ų9878.2 Ų78.243%0.4338%0.381SS..Hα-helixtrans-61.1-45.4174.1-85.5-66.2000111.6I370 E371 F372 Q376 L377 M378I370-F374 HydrophobicContact CG2-CD2 3.55Å; I370-F374 HydrophobicContact CG2-CE2 3.4Å; I370-F374 VanDerWaalsContact CG2-CE2 3.4Å; I370-F374 VanDerWaalsContact O-CD2 3.26Å; I370-F374 WeakPolarHBondContact O-CD2 3.43Å; I370-F374 PolarHBondContact O-N 3.05Å; E371-F374 PolarHBondContact O-N 3.07Å; F372-F374 VanDerWaalsContact C-N 3.33Å; F372-F374 PolarHBondContact O-N 3.11Å; F374-Q376 VanDerWaalsContact C-N 3.28Å; F374-Q376 PolarHBondContact O-N 2.96Å; F374-L377 PolarHBondContact O-N 3.42Å; F374-L377 VanDerWaalsContact O-N 3.16Å; F374-M378 WeakPolarHBondContact O-CG 3.2Å; F374-M378 PolarHBondContact O-N 3.34Å
375G88.8Confident89.3Confident4 Ų476.8 Ų76.84%0.04137%0.372CS..Hα-helixtrans-57.4-39.8174.300000112.8E371 F372 M378 K379 E380E371-G375 PolarHBondContact O-N 3.5Å; E371-G375 VanDerWaalsContact O-N 3.1Å; F372-G375 PolarHBondContact O-N 3.16Å; G375-M378 PolarHBondContact O-N 3.07Å; G375-K379 PolarHBondContact O-N 3.5Å; G375-E380 WeakPolarHBondContact O-CB 3.48Å; G375-E380 PolarHBondContact O-N 2.92Å
376Q84Confident88.9Confident101 Ų10179.2 Ų79.247%0.47239%0.392SS..Hα-helixtrans-65.8-42.1176.1-66.2-60.88600112.5F372 Q373 F374 M378 K379 Q385F372-Q376 HydrophobicContact CD2-CG 4.49Å; F372-Q376 HydrophobicContact CE1-CG 4.05Å; F372-Q376 HydrophobicContact CE2-CG 4.01Å; F372-Q376 HydrophobicContact CZ-CG 3.77Å; F372-Q376 WeakPolarHBondContact O-CG 3.49Å; F372-Q376 PolarHBondContact O-N 3.27Å; Q373-Q376 PolarHBondContact O-N 3.36Å; F374-Q376 VanDerWaalsContact C-N 3.28Å; F374-Q376 PolarHBondContact O-N 2.96Å; Q376-M378 VanDerWaalsContact C-N 3.3Å; Q376-M378 PolarHBondContact O-N 3.02Å; Q376-K379 PolarHBondContact O-N 2.96Å; Q376-Q385 VanDerWaalsContact N-NE2 3.15Å
377L82.9Confident88.7Confident135 Ų13578.8 Ų78.871%0.70739%0.391SS*.Hα-helixtrans-63.3-38.4177.4-76167.4000111.6Q373 F374 K379Q373-L377 WeakPolarHBondContact O-CG 3.48Å; Q373-L377 PolarHBondContact O-N 3.32Å; F374-L377 PolarHBondContact O-N 3.42Å; F374-L377 VanDerWaalsContact O-N 3.16Å; L377-K379 PolarHBondContact O-N 3Å
378M86.8Confident88.6Confident141 Ų14175.3 Ų75.370%0.69537%0.374SS*.THydrogen-bonded Turntrans-75.70.6175.1-63.8-55.4-67.600113.5F374 G375 Q376 E380F374-M378 WeakPolarHBondContact O-CG 3.2Å; F374-M378 PolarHBondContact O-N 3.34Å; G375-M378 PolarHBondContact O-N 3.07Å; Q376-M378 VanDerWaalsContact C-N 3.3Å; Q376-M378 PolarHBondContact O-N 3.02Å; M378-E380 HydrophobicContact CB-CG 4.23Å; M378-E380 PolarHBondContact O-N 3.44Å
379K82.6Confident88.4Confident185 Ų18574.9 Ų74.980%0.80438%0.376SS*.THydrogen-bonded Turntrans57.135.5-177.8-55.7179.4-178.9175.50112.9G375 Q376 L377 N381G375-K379 PolarHBondContact O-N 3.5Å; Q376-K379 PolarHBondContact O-N 2.96Å; L377-K379 PolarHBondContact O-N 3Å; K379-N381 PolarHBondContact O-N 3.23Å
380E82.9Confident88.4Confident95 Ų9580.6 Ų80.644%0.44440%0.397SS..  trans-65.1125.6172.2-66.9-176.7-163.400109.8G375 M378 Q385G375-E380 WeakPolarHBondContact O-CB 3.48Å; G375-E380 PolarHBondContact O-N 2.92Å; M378-E380 HydrophobicContact CB-CG 4.23Å; M378-E380 PolarHBondContact O-N 3.44Å; E380-Q385 HydrophobicContact CB-CG 4.44Å
381N79Confident88.5Confident169 Ų16979.7 Ų79.790%0.90439%0.392SS*.  trans-122.967.4179.5-168.525000108.9K379K379-N381 PolarHBondContact O-N 3.23Å
382S87.9Confident88.7Confident49 Ų4976.2 Ų76.234%0.34338%0.376SS..  trans-113.5156.218071.50000111.4R384 Q385 A386S382-R384 PolarHBondContact O-N 3.42Å; S382-Q385 PolarHBondContact O-N 2.64Å; S382-Q385 VanDerWaalsContact O-N 3.16Å; S382-Q385 WeakPolarHBondContact OG-CB 3.3Å; S382-Q385 PolarHBondContact OG-N 2.88Å; S382-Q385 VanDerWaalsContact OG-N 3.13Å; S382-A386 PolarHBondContact O-N 3.44Å; S382-A386 VanDerWaalsContact O-N 3.08Å
383D87.2Confident88.8Confident148 Ų14877 Ų7779%0.79138%0.38SS*.Hα-helixtrans-61.7-35.5175.8-69.3-30.2000111.7A386 E387D383-A386 PolarHBondContact O-N 3.4Å; D383-E387 WeakPolarHBondContact O-CB 3.25Å; D383-E387 PolarHBondContact O-N 3.43Å
384R91.2Very high89.3Confident119 Ų11973 Ų7345%0.44936%0.362SS..Hα-helixtrans-58.3-48.6172.9-179.2-178178.8-94.5-1111.2E371 S382 A386 E387 M388 P474E371-R384 IonicContact OE1-CZ 2.73Å; E371-R384 IonicContact OE1-NH1 2.74Å; E371-R384 PolarHBondContact OE1-NH1 3.49Å; E371-R384 IonicContact OE1-NH2 2.76Å; E371-R384 PolarHBondContact OE1-NH2 2.9Å; S382-R384 PolarHBondContact O-N 3.42Å; R384-A386 VanDerWaalsContact C-N 3.32Å; R384-A386 PolarHBondContact O-N 2.99Å; R384-E387 PolarHBondContact O-N 3.37Å; R384-M388 HydrophobicContact CG-CG 4.48Å; R384-M388 HydrophobicContact CG-SD 4.27Å; R384-M388 PolarHBondContact NH1-SD 2.89Å; R384-M388 WeakPolarHBondContact O-CG 3.29Å; R384-M388 PolarHBondContact O-N 2.81Å; R384-P474 HydrophobicContact CG-CG 4.37Å
385Q89.2Confident89.7Confident4 Ų468.4 Ų68.42%0.01934%0.341CS..Hα-helixtrans-63.8-38.8-179-177.264.9-2.400111.8F372 Q376 E380 S382 G389F372-Q385 HydrophobicContact CE2-CG 4.45Å; F372-Q385 WeakPolarHBondContact CE2-O 3.5Å; F372-Q385 PolarHBondContact O-NE2 3.47Å; Q376-Q385 VanDerWaalsContact N-NE2 3.15Å; E380-Q385 HydrophobicContact CB-CG 4.44Å; S382-Q385 PolarHBondContact O-N 2.64Å; S382-Q385 VanDerWaalsContact O-N 3.16Å; S382-Q385 WeakPolarHBondContact OG-CB 3.3Å; S382-Q385 PolarHBondContact OG-N 2.88Å; S382-Q385 VanDerWaalsContact OG-N 3.13Å; Q385-G389 PolarHBondContact O-N 2.89Å
386A88.1Confident90.1Very high50 Ų5068.2 Ų68.241%0.41334%0.339SS..Hα-helixtrans-65.3-41.3174.200000112.3S382 D383 R384 G389 R390S382-A386 PolarHBondContact O-N 3.44Å; S382-A386 VanDerWaalsContact O-N 3.08Å; D383-A386 PolarHBondContact O-N 3.4Å; R384-A386 VanDerWaalsContact C-N 3.32Å; R384-A386 PolarHBondContact O-N 2.99Å; A386-G389 PolarHBondContact O-N 3.33Å; A386-R390 PolarHBondContact O-N 3.35Å
387E92.2Very high90.7Very high21 Ų2163.4 Ų63.410%0.09832%0.317CS..Hα-helixtrans-68.6-39.5176.6-177.258.3-145.600112.1D383 R384 G389 R390 E391 Y456 P474D383-E387 WeakPolarHBondContact O-CB 3.25Å; D383-E387 PolarHBondContact O-N 3.43Å; R384-E387 PolarHBondContact O-N 3.37Å; E387-G389 PolarHBondContact O-N 2.81Å; E387-R390 WeakPolarHBondContact O-CB 3.48Å; E387-R390 PolarHBondContact O-N 3.47Å; E387-R390 IonicContact OE2-CZ 3.27Å; E387-R390 IonicContact OE2-NE 3.53Å; E387-R390 PolarHBondContact OE2-NE 2.76Å; E387-R390 IonicContact OE2-NH2 2.73Å; E387-R390 PolarHBondContact OE2-NH2 3.08Å; E387-E391 PolarHBondContact O-N 3.16Å; E387-Y456 WeakPolarHBondContact OE1-CE2 3.45Å; E387-Y456 PolarHBondContact OE1-OH 3.33Å; E387-P474 HydrophobicContact CB-CG 3.98Å; E387-P474 HydrophobicContact CG-CG 3.75Å
388M93.6Very high91.4Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-54.4-43.7173.4-74.417175.500111E371 F372 R384 R390 E391 I392 P474 F475E371-M388 HydrophobicContact CB-CE 4.15Å; E371-M388 HydrophobicContact CG-CE 3.82Å; F372-M388 HydrophobicContact CB-CE 4.01Å; F372-M388 HydrophobicContact CD2-CB 3.97Å; R384-M388 HydrophobicContact CG-CG 4.48Å; R384-M388 HydrophobicContact CG-SD 4.27Å; R384-M388 PolarHBondContact NH1-SD 2.89Å; R384-M388 WeakPolarHBondContact O-CG 3.29Å; R384-M388 PolarHBondContact O-N 2.81Å; M388-R390 PolarHBondContact O-N 2.68Å; M388-E391 PolarHBondContact O-N 3.42Å; M388-I392 VanDerWaalsContact O-CB 3.3Å; M388-I392 WeakPolarHBondContact O-CB 3.49Å; M388-I392 WeakPolarHBondContact O-CD1 3.5Å; M388-I392 VanDerWaalsContact O-CG1 3.29Å; M388-I392 WeakPolarHBondContact O-CG1 3.18Å; M388-I392 PolarHBondContact O-N 3.31Å; M388-P474 HydrophobicContact CG-CB 3.5Å; M388-P474 HydrophobicContact CG-CG 3.73Å; M388-F475 HydrophobicContact CB-CE2 4.33Å; M388-F475 HydrophobicContact CB-CZ 3.97Å; M388-F475 HydrophobicContact CE-CE1 3.8Å; M388-F475 HydrophobicContact CE-CZ 3.65Å; M388-F475 HydrophobicContact CG-CE1 4.24Å; M388-F475 HydrophobicContact CG-CE2 4.38Å; M388-F475 HydrophobicContact CG-CZ 3.75Å
389G92.1Very high91.9Very high19 Ų1950.2 Ų50.220%0.19625%0.25CS..Hα-helixtrans-62.9-38.517600000113.5Q385 A386 E387 H393Q385-G389 PolarHBondContact O-N 2.89Å; A386-G389 PolarHBondContact O-N 3.33Å; E387-G389 PolarHBondContact O-N 2.81Å; G389-H393 WeakPolarHBondContact O-CB 3.46Å; G389-H393 PolarHBondContact O-N 2.77Å; G389-H393 VanDerWaalsContact O-N 3.11Å
390R92.9Very high92.7Very high139 Ų13941.4 Ų41.453%0.52521%0.212SC..Hα-helixtrans-67.9-44.9175.4-70.7-164.3-69.1-104.912.2111.8A386 E387 M388 H393 A394 Y456A386-R390 PolarHBondContact O-N 3.35Å; E387-R390 WeakPolarHBondContact O-CB 3.48Å; E387-R390 PolarHBondContact O-N 3.47Å; E387-R390 IonicContact OE2-CZ 3.27Å; E387-R390 IonicContact OE2-NE 3.53Å; E387-R390 PolarHBondContact OE2-NE 2.76Å; E387-R390 IonicContact OE2-NH2 2.73Å; E387-R390 PolarHBondContact OE2-NH2 3.08Å; M388-R390 PolarHBondContact O-N 2.68Å; R390-H393 WeakPolarHBondContact O-CB 3.42Å; R390-H393 PolarHBondContact O-N 3.27Å; R390-A394 PolarHBondContact O-N 3.04Å; R390-Y456 HydrophobicContact CB-CD2 4.42Å; R390-Y456 HydrophobicContact CB-CE2 4.16Å
391E96.1Very high93.4Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-65.1-47.2179.4-170.2178-170.200111.3E387 M388 H393 A394 I395 S473 P474 F475 T477E387-E391 PolarHBondContact O-N 3.16Å; M388-E391 PolarHBondContact O-N 3.42Å; E391-H393 VanDerWaalsContact C-N 3.25Å; E391-H393 PolarHBondContact O-N 2.56Å; E391-A394 PolarHBondContact O-N 3.3Å; E391-A394 VanDerWaalsContact O-N 3.13Å; E391-I395 HydrophobicContact CG-CD1 3.89Å; E391-I395 WeakPolarHBondContact O-CG1 3.27Å; E391-I395 PolarHBondContact O-N 3.09Å; E391-S473 WeakPolarHBondContact OE1-CB 3.38Å; E391-S473 PolarHBondContact OE1-OG 2.97Å; E391-P474 VanDerWaalsContact OE2-CD 3.27Å; E391-P474 WeakPolarHBondContact OE2-CD 3.44Å; E391-F475 HydrophobicContact CB-CD2 4.29Å; E391-F475 HydrophobicContact CB-CE2 4.42Å; E391-F475 HydrophobicContact CG-CD2 3.9Å; E391-F475 HydrophobicContact CG-CE2 4.49Å; E391-F475 WeakPolarHBondContact OE1-CB 3.37Å; E391-F475 WeakPolarHBondContact OE2-CD2 3.42Å; E391-F475 PolarHBondContact OE2-N 2.95Å; E391-T477 WeakPolarHBondContact OE1-CB 3.49Å; E391-T477 VanDerWaalsContact OE1-CG2 3.3Å; E391-T477 WeakPolarHBondContact OE1-CG2 3.37Å; E391-T477 PolarHBondContact OE1-OG1 2.96Å
392I96Very high94.4Very high1 Ų129.4 Ų29.41%0.00515%0.15CC..Hα-helixtrans-54.5-43.5172.6-78.9162.4000110.9I301 F369 F372 M388 G396 F475I301-I392 HydrophobicContact CD1-CG2 3.84Å; F369-I392 HydrophobicContact CD2-CD1 4.3Å; F369-I392 HydrophobicContact CD2-CG2 3.86Å; F369-I392 HydrophobicContact CE2-CG2 4.47Å; F372-I392 HydrophobicContact CB-CD1 3.37Å; F372-I392 HydrophobicContact CD1-CD1 3.91Å; F372-I392 HydrophobicContact CD2-CD1 4.41Å; F372-I392 HydrophobicContact CG-CD1 3.64Å; M388-I392 VanDerWaalsContact O-CB 3.3Å; M388-I392 WeakPolarHBondContact O-CB 3.49Å; M388-I392 WeakPolarHBondContact O-CD1 3.5Å; M388-I392 VanDerWaalsContact O-CG1 3.29Å; M388-I392 WeakPolarHBondContact O-CG1 3.18Å; M388-I392 PolarHBondContact O-N 3.31Å; I392-G396 PolarHBondContact O-N 3.05Å; I392-F475 HydrophobicContact CD1-CE2 4.12Å; I392-F475 HydrophobicContact CD1-CZ 4.18Å; I392-F475 HydrophobicContact CG1-CE2 3.78Å; I392-F475 HydrophobicContact CG1-CZ 4.32Å
393H95.1Very high94.9Very high54 Ų5427.1 Ų27.125%0.2514%0.135CC..Hα-helixtrans-63.5-46.6178.1-179.478.6000111.7S297 R300 G389 R390 E391 I395 G396 C397S297-H393 PolarHBondContact OG-ND1 2.89Å; S297-H393 VanDerWaalsContact OG-ND1 3.13Å; R300-H393 PolarHBondContact NH1-CE1 3.16Å; R300-H393 VanDerWaalsContact NH1-CE1 3.3Å; G389-H393 WeakPolarHBondContact O-CB 3.46Å; G389-H393 PolarHBondContact O-N 2.77Å; G389-H393 VanDerWaalsContact O-N 3.11Å; R390-H393 WeakPolarHBondContact O-CB 3.42Å; R390-H393 PolarHBondContact O-N 3.27Å; E391-H393 VanDerWaalsContact C-N 3.25Å; E391-H393 PolarHBondContact O-N 2.56Å; H393-I395 PolarHBondContact O-N 3.17Å; H393-G396 PolarHBondContact O-N 2.7Å; H393-C397 VanDerWaalsContact CE1-SG 3.57Å; H393-C397 VanDerWaalsContact O-CB 3.3Å; H393-C397 WeakPolarHBondContact O-CB 3.49Å; H393-C397 PolarHBondContact O-N 3.42Å; H393-C397 PolarHBondContact O-SG 2.9Å
394A96.8Very high95.4Very high1 Ų120 Ų201%0.00810%0.097CC..Hα-helixtrans-62.8-41.3178.400000112.3R390 E391 S398 T453 Y456R390-A394 PolarHBondContact O-N 3.04Å; E391-A394 PolarHBondContact O-N 3.3Å; E391-A394 VanDerWaalsContact O-N 3.13Å; A394-S398 PolarHBondContact O-N 3.31Å; A394-S398 PolarHBondContact O-OG 3.24Å; A394-T453 HydrophobicContact CB-CG2 4.38Å; A394-T453 WeakPolarHBondContact O-CG2 3.41Å; A394-T453 PolarHBondContact O-OG1 3.32Å; A394-Y456 HydrophobicContact CB-CD1 3.4Å; A394-Y456 VanDerWaalsContact CB-CD1 3.4Å; A394-Y456 HydrophobicContact CB-CD2 4.43Å; A394-Y456 HydrophobicContact CB-CE1 4.03Å; A394-Y456 HydrophobicContact CB-CG 3.63Å
395I97.9Very high95.8Very high1 Ų116.1 Ų16.11%0.0058%0.082CC..Hα-helixtrans-68.4-44.3176.1-65.5168.2000110.8F361 I365 E391 H393 C397 S398 S399 T477 Y554 I555F361-I395 HydrophobicContact CE2-CG2 4.27Å; F361-I395 HydrophobicContact CZ-CG2 3.75Å; I365-I395 HydrophobicContact CD1-CB 4.37Å; I365-I395 HydrophobicContact CD1-CD1 3.73Å; I365-I395 HydrophobicContact CD1-CG2 3.84Å; I365-I395 HydrophobicContact CG1-CG2 3.82Å; E391-I395 HydrophobicContact CG-CD1 3.89Å; E391-I395 WeakPolarHBondContact O-CG1 3.27Å; E391-I395 PolarHBondContact O-N 3.09Å; H393-I395 PolarHBondContact O-N 3.17Å; I395-C397 VanDerWaalsContact C-N 3.34Å; I395-C397 PolarHBondContact O-N 2.81Å; I395-S398 PolarHBondContact O-N 2.89Å; I395-S398 PolarHBondContact O-OG 2.99Å; I395-S399 WeakPolarHBondContact O-CB 3.35Å; I395-S399 PolarHBondContact O-N 2.93Å; I395-S399 PolarHBondContact O-OG 3.26Å; I395-T477 HydrophobicContact CD1-CG2 3.92Å; I395-Y554 HydrophobicContact CG1-CE1 4.3Å; I395-Y554 WeakPolarHBondContact CG1-OH 3.46Å; I395-I555 HydrophobicContact CG2-CD1 3.96Å
396G96.8Very high96.2Very high0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-60.1-42.6176.400000112.5I392 H393 S398 K400I392-G396 PolarHBondContact O-N 3.05Å; H393-G396 PolarHBondContact O-N 2.7Å; G396-S398 VanDerWaalsContact C-N 3.26Å; G396-S398 PolarHBondContact O-N 3.02Å; G396-K400 WeakPolarHBondContact O-CB 3.38Å; G396-K400 PolarHBondContact O-N 3.06Å
397C96.9Very high96.7Very high0 Ų014.4 Ų14.40%07%0.067CC..Hα-helixtrans-67.7-20.1179.2-73.50000114.4R300 H393 I395 P401 L449 Q452R300-C397 PolarHBondContact NH1-SG 3.19Å; H393-C397 VanDerWaalsContact CE1-SG 3.57Å; H393-C397 VanDerWaalsContact O-CB 3.3Å; H393-C397 WeakPolarHBondContact O-CB 3.49Å; H393-C397 PolarHBondContact O-N 3.42Å; H393-C397 PolarHBondContact O-SG 2.9Å; I395-C397 VanDerWaalsContact C-N 3.34Å; I395-C397 PolarHBondContact O-N 2.81Å; C397-P401 WeakPolarHBondContact O-CD 3.48Å; C397-P401 VanDerWaalsContact O-CG 3.28Å; C397-P401 WeakPolarHBondContact O-CG 3.37Å; C397-L449 HydrophobicContact CB-CB 4.25Å; C397-L449 WeakPolarHBondContact CB-O 3.49Å; C397-L449 WeakPolarHBondContact O-CB 3.43Å; C397-Q452 HydrophobicContact CB-CB 4.05Å
398S98.3Very high97Very high0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-106.9-34.8178.851.80000113.4A394 I395 G396 P401 L402 T453A394-S398 PolarHBondContact O-N 3.31Å; A394-S398 PolarHBondContact O-OG 3.24Å; I395-S398 PolarHBondContact O-N 2.89Å; I395-S398 PolarHBondContact O-OG 2.99Å; G396-S398 VanDerWaalsContact C-N 3.26Å; G396-S398 PolarHBondContact O-N 3.02Å; S398-P401 WeakPolarHBondContact O-CD 3.34Å; S398-L402 PolarHBondContact O-N 3.23Å; S398-L402 VanDerWaalsContact O-N 3.11Å; S398-T453 WeakPolarHBondContact CB-OG1 3.42Å; S398-T453 PolarHBondContact N-OG1 2.83Å
399S98.3Very high97.3Very high0 Ų023 Ų230%010%0.101CC..Hα-helixtrans-66.6-38.4177.259.50000112.7T304 I395 L402 G403T304-S399 WeakPolarHBondContact OG1-CB 3.36Å; T304-S399 PolarHBondContact OG1-O 3.38Å; T304-S399 PolarHBondContact OG1-OG 3.36Å; I395-S399 WeakPolarHBondContact O-CB 3.35Å; I395-S399 PolarHBondContact O-N 2.93Å; I395-S399 PolarHBondContact O-OG 3.26Å; S399-L402 PolarHBondContact O-N 2.79Å; S399-G403 PolarHBondContact O-N 2.78Å
400K98.2Very high97.6Very high0 Ų022.1 Ų22.10%09%0.092CC..Hα-helixtrans-61-49.8177.9-177.7-122173.6-153.80111.5R300 I303 T304 G396 S404 N439 Y442 G444 N446 L449R300-K400 HydrophobicContact CB-CB 4.17Å; R300-K400 HydrophobicContact CG-CD 4.5Å; I303-K400 HydrophobicContact CB-CG 3.96Å; I303-K400 HydrophobicContact CG2-CD 4.44Å; I303-K400 HydrophobicContact CG2-CG 3.53Å; T304-K400 WeakPolarHBondContact OG1-CA 3.47Å; T304-K400 PolarHBondContact OG1-N 2.89Å; T304-K400 VanDerWaalsContact OG1-N 3.16Å; G396-K400 WeakPolarHBondContact O-CB 3.38Å; G396-K400 PolarHBondContact O-N 3.06Å; K400-S404 VanDerWaalsContact O-CB 3.29Å; K400-S404 WeakPolarHBondContact O-CB 3.49Å; K400-S404 PolarHBondContact O-N 2.85Å; K400-S404 PolarHBondContact O-OG 3.36Å; K400-N439 WeakPolarHBondContact CE-O 3.41Å; K400-N439 PolarHBondContact NZ-O 3.1Å; K400-N439 VanDerWaalsContact NZ-O 3.08Å; K400-Y442 WeakPolarHBondContact CE-O 3.19Å; K400-Y442 PolarHBondContact NZ-O 2.64Å; K400-G444 PolarHBondContact NZ-O 3.01Å; K400-N446 PolarHBondContact NZ-OD1 2.88Å; K400-L449 HydrophobicContact CD-CD1 3.45Å; K400-L449 VanDerWaalsContact CD-CD1 3.45Å
401P98.5Very high97.9Very high0 Ų015.5 Ų15.50%07%0.067CC..Hα-helixtrans-54.6-48.9168.4-28.333.3000114.6C397 S398 S404 W405 N446 L449 L450 I552C397-P401 WeakPolarHBondContact O-CD 3.48Å; C397-P401 VanDerWaalsContact O-CG 3.28Å; C397-P401 WeakPolarHBondContact O-CG 3.37Å; S398-P401 WeakPolarHBondContact O-CD 3.34Å; P401-S404 PolarHBondContact O-OG 2.99Å; P401-W405 HydrophobicContact CB-CE3 3.99Å; P401-W405 HydrophobicContact CB-CH2 4.27Å; P401-W405 HydrophobicContact CB-CZ3 3.82Å; P401-W405 WeakPolarHBondContact O-CB 3.33Å; P401-W405 PolarHBondContact O-N 3.46Å; P401-N446 HydrophobicContact CB-CB 3.98Å; P401-N446 HydrophobicContact CG-CB 4Å; P401-L449 HydrophobicContact CG-CB 4.43Å; P401-L450 HydrophobicContact CB-CD2 4.14Å; P401-L450 HydrophobicContact CB-CG 4.33Å; P401-L450 HydrophobicContact CG-CD2 4.04Å; P401-L450 HydrophobicContact CG-CG 4.1Å; P401-I552 HydrophobicContact CB-CD1 4.5Å
402L98.6Very high98Very high11 Ų1117.7 Ų17.76%0.0588%0.077CC..Hα-helixtrans-58.4-54.7-179176.366.2000111.5L358 S398 S399 T406 I555 E556L358-L402 HydrophobicContact CD2-CD2 4.48Å; S398-L402 PolarHBondContact O-N 3.23Å; S398-L402 VanDerWaalsContact O-N 3.11Å; S399-L402 PolarHBondContact O-N 2.79Å; L402-T406 WeakPolarHBondContact O-CB 3.37Å; L402-T406 PolarHBondContact O-N 3.45Å; L402-T406 PolarHBondContact O-OG1 3.26Å; L402-I555 HydrophobicContact CB-CG2 3.99Å; L402-I555 HydrophobicContact CD2-CB 4.49Å; L402-I555 HydrophobicContact CD2-CG1 3.98Å; L402-I555 HydrophobicContact CD2-CG2 3.99Å; L402-I555 HydrophobicContact CG-CG2 4.48Å; L402-E556 HydrophobicContact CD1-CG 3.8Å; L402-E556 HydrophobicContact CD2-CG 4.35Å
403G98.3Very high98.1Very high1 Ų120.1 Ų20.11%0.019%0.089CC..Hα-helixtrans-62.8-49.2-177.500000112.2S399 T406 A407S399-G403 PolarHBondContact O-N 2.78Å; G403-T406 PolarHBondContact O-N 3.14Å; G403-A407 WeakPolarHBondContact O-CB 3.46Å; G403-A407 PolarHBondContact O-N 3.5Å
404S98.6Very high98.3Very high0 Ų017.6 Ų17.60%08%0.077CC..Hα-helixtrans-65.4-41.7-177.560.50000113.4K400 P401 Q408 N436 N446K400-S404 VanDerWaalsContact O-CB 3.29Å; K400-S404 WeakPolarHBondContact O-CB 3.49Å; K400-S404 PolarHBondContact O-N 2.85Å; K400-S404 PolarHBondContact O-OG 3.36Å; P401-S404 PolarHBondContact O-OG 2.99Å; S404-Q408 WeakPolarHBondContact O-CB 3.22Å; S404-Q408 PolarHBondContact O-N 3.18Å; S404-N436 PolarHBondContact O-ND2 2.81Å; S404-N446 PolarHBondContact OG-ND2 2.88Å
405W98.7Very high98.4Very high36 Ų3619.7 Ų19.714%0.1368%0.084CC..Hα-helixtrans-71.5-35.5175-72.4-33000112.9P401 Q408 R409 N446 L450 R548 I552P401-W405 HydrophobicContact CB-CE3 3.99Å; P401-W405 HydrophobicContact CB-CH2 4.27Å; P401-W405 HydrophobicContact CB-CZ3 3.82Å; P401-W405 WeakPolarHBondContact O-CB 3.33Å; P401-W405 PolarHBondContact O-N 3.46Å; W405-Q408 PolarHBondContact O-N 2.97Å; W405-R409 WeakPolarHBondContact O-CG 3.48Å; W405-R409 PolarHBondContact O-N 2.94Å; W405-N446 HydrophobicContact CH2-CB 3.8Å; W405-N446 HydrophobicContact CZ2-CB 3.33Å; W405-N446 PolarHBondContact NE1-ND2 3.13Å; W405-L450 HydrophobicContact CH2-CD1 3.98Å; W405-L450 HydrophobicContact CZ3-CD1 3.97Å; W405-R548 VanDerWaalsContact CH2-NH2 3.35Å; W405-I552 HydrophobicContact CE3-CD1 4.42Å; W405-I552 HydrophobicContact CZ3-CD1 3.97Å
406T98.8Very high98.4Very high18 Ų1823.4 Ų23.411%0.1110%0.102CC..Hα-helixtrans-62.9-47.3174.7-60.60000110.3L311 Y351 A354 L358 L402 G403 G410L311-T406 HydrophobicContact CD2-CG2 4.15Å; Y351-T406 HydrophobicContact CD1-CG2 4.21Å; Y351-T406 HydrophobicContact CE1-CG2 4.23Å; A354-T406 HydrophobicContact CB-CG2 4.15Å; L358-T406 HydrophobicContact CD1-CG2 4.49Å; L402-T406 WeakPolarHBondContact O-CB 3.37Å; L402-T406 PolarHBondContact O-N 3.45Å; L402-T406 PolarHBondContact O-OG1 3.26Å; G403-T406 PolarHBondContact O-N 3.14Å; T406-G410 PolarHBondContact O-N 2.63Å
407A98.8Very high98.5Very high0 Ų023.8 Ų23.80%011%0.105CC..Hα-helixtrans-61.5-46.6174.900000112.1A307 L311 G403 R409 G410 I411 N436A307-A407 HydrophobicContact CB-CB 3.86Å; A307-A407 WeakPolarHBondContact O-CB 2.98Å; L311-A407 HydrophobicContact CB-CB 4.24Å; G403-A407 WeakPolarHBondContact O-CB 3.46Å; G403-A407 PolarHBondContact O-N 3.5Å; A407-R409 VanDerWaalsContact C-N 3.35Å; A407-R409 PolarHBondContact O-N 2.84Å; A407-G410 PolarHBondContact O-N 2.87Å; A407-I411 HydrophobicContact CB-CD1 4.33Å; A407-I411 WeakPolarHBondContact O-CB 3.17Å; A407-I411 VanDerWaalsContact O-CD1 3.29Å; A407-I411 WeakPolarHBondContact O-CD1 3.41Å; A407-I411 WeakPolarHBondContact O-CG1 3.24Å; A407-I411 PolarHBondContact O-N 3.41Å; A407-N436 WeakPolarHBondContact CB-OD1 3.49Å
408Q98.6Very high98.6Very high63 Ų6323.9 Ų23.929%0.29411%0.105SC..Hα-helixtrans-56.1-48.9179.4179.8178.361.400111.8S404 W405 Q412 N436 D437S404-Q408 WeakPolarHBondContact O-CB 3.22Å; S404-Q408 PolarHBondContact O-N 3.18Å; W405-Q408 PolarHBondContact O-N 2.97Å; Q408-Q412 WeakPolarHBondContact O-CB 3.25Å; Q408-Q412 PolarHBondContact O-N 3.26Å; Q408-N436 WeakPolarHBondContact CA-ND2 3.34Å; Q408-N436 PolarHBondContact N-ND2 3.06Å; Q408-D437 PolarHBondContact NE2-OD1 3.25Å
409R98.8Very high98.6Very high140 Ų14025.8 Ų25.853%0.52813%0.126SC..Hα-helixtrans-67.4-45.8178-65.5172.3-172.6170.21.4111.2Y351 W405 A407 I411 Q412 E413Y351-R409 HydrophobicContact CE1-CB 4.5Å; Y351-R409 WeakPolarHBondContact OH-CB 3.25Å; W405-R409 WeakPolarHBondContact O-CG 3.48Å; W405-R409 PolarHBondContact O-N 2.94Å; A407-R409 VanDerWaalsContact C-N 3.35Å; A407-R409 PolarHBondContact O-N 2.84Å; R409-I411 PolarHBondContact O-N 2.94Å; R409-Q412 PolarHBondContact O-N 3.02Å; R409-E413 WeakPolarHBondContact O-CG 3.49Å; R409-E413 PolarHBondContact O-N 3.48Å
410G98.8Very high98.6Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-61.8-42.5-179.300000113.1T406 A407 E413 C414T406-G410 PolarHBondContact O-N 2.63Å; A407-G410 PolarHBondContact O-N 2.87Å; G410-E413 PolarHBondContact O-N 3.32Å; G410-C414 WeakPolarHBondContact O-CB 3.23Å; G410-C414 PolarHBondContact O-N 2.88Å; G410-C414 PolarHBondContact O-SG 3.41Å
411I98.9Very high98.6Very high0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-64.3-42.7176.2-63.3158.9000110.4N310 A314 A407 R409 C414 R415 L432 R433 N436N310-I411 HydrophobicContact CB-CD1 3.87Å; A314-I411 HydrophobicContact CB-CB 4.2Å; A314-I411 HydrophobicContact CB-CG1 3.71Å; A314-I411 HydrophobicContact CB-CG2 4.3Å; A407-I411 HydrophobicContact CB-CD1 4.33Å; A407-I411 WeakPolarHBondContact O-CB 3.17Å; A407-I411 VanDerWaalsContact O-CD1 3.29Å; A407-I411 WeakPolarHBondContact O-CD1 3.41Å; A407-I411 WeakPolarHBondContact O-CG1 3.24Å; A407-I411 PolarHBondContact O-N 3.41Å; R409-I411 PolarHBondContact O-N 2.94Å; I411-C414 WeakPolarHBondContact O-CB 3.25Å; I411-C414 PolarHBondContact O-N 3.49Å; I411-R415 WeakPolarHBondContact O-CB 3.22Å; I411-R415 PolarHBondContact O-N 3.38Å; I411-L432 HydrophobicContact CG2-CB 4.27Å; I411-R433 HydrophobicContact CG2-CB 3.76Å; I411-R433 HydrophobicContact CG2-CG 4.41Å; I411-N436 HydrophobicContact CD1-CB 3.7Å
412Q98.7Very high98.6Very high45 Ų4531 Ų3121%0.2117%0.166CC..Hα-helixtrans-63.1-44177.1-178.564.135.300111.8Q408 R409 R415 E416Q408-Q412 WeakPolarHBondContact O-CB 3.25Å; Q408-Q412 PolarHBondContact O-N 3.26Å; R409-Q412 PolarHBondContact O-N 3.02Å; Q412-R415 WeakPolarHBondContact O-CB 3.33Å; Q412-R415 PolarHBondContact O-N 2.68Å; Q412-E416 PolarHBondContact NE2-OE1 2.84Å; Q412-E416 WeakPolarHBondContact O-CG 3.32Å; Q412-E416 PolarHBondContact O-N 2.93Å
413E98.7Very high98.5Very high53 Ų5339.3 Ų39.325%0.24820%0.199CC..Hα-helixtrans-61.7-44.6174.2-71.6-64.6149.900111.4R347 Y351 R409 G410 R415 E416 A417R347-E413 IonicContact CZ-OE2 3.15Å; R347-E413 IonicContact NE-OE2 3.12Å; R347-E413 PolarHBondContact NE-OE2 3.06Å; R347-E413 IonicContact NH2-OE1 2.74Å; R347-E413 IonicContact NH2-OE2 3.31Å; R347-E413 PolarHBondContact NH2-OE2 2.81Å; Y351-E413 HydrophobicContact CE2-CB 4.03Å; Y351-E413 HydrophobicContact CE2-CG 3.9Å; R409-E413 WeakPolarHBondContact O-CG 3.49Å; R409-E413 PolarHBondContact O-N 3.48Å; G410-E413 PolarHBondContact O-N 3.32Å; E413-R415 VanDerWaalsContact C-N 3.32Å; E413-R415 PolarHBondContact O-N 3.29Å; E413-E416 PolarHBondContact O-N 2.7Å; E413-A417 WeakPolarHBondContact O-CB 3.45Å; E413-A417 PolarHBondContact O-N 2.83Å
414C98.9Very high98.4Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-58.3-43.2175.3-71.60000112A314 A318 G410 I411 A417 C418 L429A314-C414 VanDerWaalsContact C-SG 3.57Å; A314-C414 HydrophobicContact CB-CB 4.03Å; A314-C414 PolarHBondContact O-SG 2.93Å; A318-C414 HydrophobicContact CB-CB 3.67Å; G410-C414 WeakPolarHBondContact O-CB 3.23Å; G410-C414 PolarHBondContact O-N 2.88Å; G410-C414 PolarHBondContact O-SG 3.41Å; I411-C414 WeakPolarHBondContact O-CB 3.25Å; I411-C414 PolarHBondContact O-N 3.49Å; C414-A417 PolarHBondContact O-N 3.12Å; C414-C418 PolarHBondContact O-N 3.33Å; C414-C418 VanDerWaalsContact O-N 3.16Å; C414-C418 PolarHBondContact O-SG 3.16Å; C414-L429 HydrophobicContact CB-CD2 4.14Å
415R98.8Very high98.2Very high46 Ų4645.9 Ų45.917%0.17424%0.242CC..Hα-helixtrans-60.6-46.4176.7-170.1-155.163.275.2-2.1111.8I411 Q412 E413 C418 G422 L429I411-R415 WeakPolarHBondContact O-CB 3.22Å; I411-R415 PolarHBondContact O-N 3.38Å; Q412-R415 WeakPolarHBondContact O-CB 3.33Å; Q412-R415 PolarHBondContact O-N 2.68Å; E413-R415 VanDerWaalsContact C-N 3.32Å; E413-R415 PolarHBondContact O-N 3.29Å; R415-C418 PolarHBondContact O-N 3.47Å; R415-G422 WeakPolarHBondContact CG-O 3.43Å; R415-L429 HydrophobicContact CB-CB 4.2Å; R415-L429 HydrophobicContact CB-CD1 4.45Å; R415-L429 HydrophobicContact CG-CB 4.23Å
416E98.8Very high98.1Very high78 Ų7845.8 Ų45.836%0.36424%0.243SC..Hα-helixtrans-69.6-38.9179.2-72176.9-16400112.7R347 Q412 E413 C418 G419R347-E416 IonicContact NH2-OE2 3.03Å; R347-E416 PolarHBondContact NH2-OE2 3.37Å; Q412-E416 PolarHBondContact NE2-OE1 2.84Å; Q412-E416 WeakPolarHBondContact O-CG 3.32Å; Q412-E416 PolarHBondContact O-N 2.93Å; E413-E416 PolarHBondContact O-N 2.7Å; E416-C418 PolarHBondContact O-N 3.12Å; E416-G419 PolarHBondContact O-N 2.84Å
417A98.7Very high98Very high9 Ų945 Ų457%0.07424%0.238CC..Hα-helixtrans-63.5-22.5176.200000112.8Q344 L348 E413 C414 G419Q344-A417 PolarHBondContact NE2-O 3.49Å; Q344-A417 VanDerWaalsContact NE2-O 3.12Å; L348-A417 HydrophobicContact CD1-CB 4.01Å; L348-A417 HydrophobicContact CD2-CB 3.78Å; L348-A417 HydrophobicContact CG-CB 4.14Å; E413-A417 WeakPolarHBondContact O-CB 3.45Å; E413-A417 PolarHBondContact O-N 2.83Å; C414-A417 PolarHBondContact O-N 3.12Å; A417-G419 VanDerWaalsContact C-N 3.33Å
418C98.8Very high97.9Very high1 Ų145.4 Ų45.41%0.00724%0.239CC..THydrogen-bonded Turntrans-87.13.5172.7-63.70000114F321 C414 R415 E416 H421 G422 L429 I647F321-C418 HydrophobicContact CD1-CB 4.08Å; F321-C418 HydrophobicContact CE1-CB 4.22Å; F321-C418 HydrophobicContact CG-CB 4.41Å; C414-C418 PolarHBondContact O-N 3.33Å; C414-C418 VanDerWaalsContact O-N 3.16Å; C414-C418 PolarHBondContact O-SG 3.16Å; R415-C418 PolarHBondContact O-N 3.47Å; E416-C418 PolarHBondContact O-N 3.12Å; C418-H421 PolarHBondContact O-N 3.39Å; C418-G422 PolarHBondContact O-N 3.45Å; C418-G422 VanDerWaalsContact O-N 3.15Å; C418-L429 HydrophobicContact CB-CD1 4.1Å; C418-I647 HydrophobicContact CB-CD1 4.36Å
419G98.1Very high97.9Very high41 Ų4142.4 Ų42.442%0.42323%0.226SC..Hα-helixtrans56.2-141.6178.900000113.4E416 A417 H421 G422E416-G419 PolarHBondContact O-N 2.84Å; A417-G419 VanDerWaalsContact C-N 3.33Å; G419-H421 PolarHBondContact O-N 2.99Å; G419-G422 PolarHBondContact O-N 3.18Å; G419-G422 VanDerWaalsContact O-N 3.12Å
420G97.9Very high97.8Very high61 Ų6136.9 Ų36.963%0.62921%0.212SC*.Hα-helixtrans-60.8-31.2178.100000113.5G422 Y423G420-G422 VanDerWaalsContact C-N 3.31Å; G420-G422 PolarHBondContact O-N 3.1Å; G420-Y423 WeakPolarHBondContact O-CB 3.47Å; G420-Y423 PolarHBondContact O-N 3.31Å; G420-Y423 VanDerWaalsContact O-N 3.12Å
421H98.1Very high97.7Very high45 Ų4540.4 Ų40.421%0.20823%0.231CC..Hα-helixtrans-67.2-33.5176.8-62-56.2000111.8F321 C418 G419 Y423 L424 N427 I647 L658F321-H421 HydrophobicContact CE2-CB 4.16Å; F321-H421 AromaticContact CE2-CD2 3.79Å; F321-H421 AromaticContact CZ-CD2 3.96Å; C418-H421 PolarHBondContact O-N 3.39Å; G419-H421 PolarHBondContact O-N 2.99Å; H421-Y423 PolarHBondContact O-N 3.29Å; H421-L424 PolarHBondContact O-N 3.33Å; H421-L424 VanDerWaalsContact O-N 3.15Å; H421-N427 PolarHBondContact O-ND2 2.83Å; H421-I647 HydrophobicContact CB-CD1 4.49Å; H421-I647 HydrophobicContact CB-CG2 4.44Å; H421-L658 VanDerWaalsContact CE1-CD2 3.49Å; H421-L658 WeakPolarHBondContact CE1-CD2 3.46Å; H421-L658 WeakPolarHBondContact ND1-CD2 3.2Å
422G97.8Very high97.6Very high2 Ų240.5 Ų40.52%0.02123%0.232CC..Hα-helixtrans-64.6-18.1173.200000114.4R415 C418 G419 G420R415-G422 WeakPolarHBondContact CG-O 3.43Å; C418-G422 PolarHBondContact O-N 3.45Å; C418-G422 VanDerWaalsContact O-N 3.15Å; G419-G422 PolarHBondContact O-N 3.18Å; G419-G422 VanDerWaalsContact O-N 3.12Å; G420-G422 VanDerWaalsContact C-N 3.31Å; G420-G422 PolarHBondContact O-N 3.1Å
423Y97.7Very high97.5Very high187 Ų18742.3 Ų42.373%0.73324%0.236SC*.Hα-helixtrans-88.9-15.1176.1-161.3-107.9000113.4G420 H421 A425G420-Y423 WeakPolarHBondContact O-CB 3.47Å; G420-Y423 PolarHBondContact O-N 3.31Å; G420-Y423 VanDerWaalsContact O-N 3.12Å; H421-Y423 PolarHBondContact O-N 3.29Å; Y423-A425 PolarHBondContact O-N 3Å
424L95.9Very high97.4Very high78 Ų7841.8 Ų41.841%0.40824%0.235SC..SBendtrans-75.4121.9176.6-64177.6000110.1H421 M426 N427H421-L424 PolarHBondContact O-N 3.33Å; H421-L424 VanDerWaalsContact O-N 3.15Å; L424-M426 HydrophobicContact CB-CG 4.24Å; L424-M426 PolarHBondContact O-N 3.24Å; L424-M426 VanDerWaalsContact O-N 3.08Å; L424-N427 PolarHBondContact O-N 3.05Å
425A95Very high97.3Very high61 Ų6142.6 Ų42.650%0.50424%0.24SC..G310 helixtrans-53.8-33.8-175.100000113.7Y423 N427 R428Y423-A425 PolarHBondContact O-N 3Å; A425-N427 PolarHBondContact O-N 3.29Å; A425-R428 PolarHBondContact O-N 2.91Å
426M95.4Very high97.2Very high34 Ų3440.4 Ų40.417%0.16723%0.231CC..G310 helixtrans-59.5-17.6177.466.1177.953.300115.2P57 L424 R428 P646 L658 T661 V662P57-M426 HydrophobicContact CB-CB 4.01Å; P57-M426 WeakPolarHBondContact CB-O 3.44Å; L424-M426 HydrophobicContact CB-CG 4.24Å; L424-M426 PolarHBondContact O-N 3.24Å; L424-M426 VanDerWaalsContact O-N 3.08Å; M426-R428 VanDerWaalsContact C-N 3.33Å; M426-P646 HydrophobicContact CG-CG 4.43Å; M426-P646 VanDerWaalsContact O-CD 3.27Å; M426-P646 WeakPolarHBondContact O-CD 3.47Å; M426-P646 HydrophobicContact SD-CG 4.4Å; M426-L658 HydrophobicContact SD-CD1 3.73Å; M426-T661 HydrophobicContact CB-CG2 4.44Å; M426-T661 HydrophobicContact CE-CG2 4.14Å; M426-T661 HydrophobicContact SD-CG2 3.9Å; M426-V662 HydrophobicContact CE-CG2 3.84Å; M426-V662 HydrophobicContact SD-CG2 3.88Å
427N97.5Very high97.1Very high0 Ų038.4 Ų38.40%022%0.223CC..G310 helixtrans-91.92.8177-63-41.9000113.2H421 L424 A425 L429 S645 P646 I647H421-N427 PolarHBondContact O-ND2 2.83Å; L424-N427 PolarHBondContact O-N 3.05Å; A425-N427 PolarHBondContact O-N 3.29Å; N427-L429 PolarHBondContact O-N 3.43Å; N427-S645 WeakPolarHBondContact CA-OG 3.42Å; N427-S645 PolarHBondContact O-OG 3.5Å; N427-P646 VanDerWaalsContact OD1-CD 3.28Å; N427-P646 WeakPolarHBondContact OD1-CD 3.3Å; N427-P646 WeakPolarHBondContact OD1-CG 3.38Å; N427-I647 HydrophobicContact CB-CD1 3.8Å; N427-I647 HydrophobicContact CB-CG1 4.01Å; N427-I647 WeakPolarHBondContact OD1-CG1 3.3Å; N427-I647 WeakPolarHBondContact OD1-CG2 3.49Å
428R97Very high96.9Very high9 Ų939.7 Ų39.73%0.03423%0.231CC..  trans64-6.7167.2-156.9-178.9166.2-154.8-7.4117.1M104 Y105 A425 M426 G430 D431 L432 I642 L643M104-R428 VanDerWaalsContact O-CZ 3.27Å; M104-R428 PolarHBondContact O-NH1 3.03Å; M104-R428 PolarHBondContact O-NH2 3.34Å; Y105-R428 PolarHBondContact O-NH2 3.48Å; A425-R428 PolarHBondContact O-N 2.91Å; M426-R428 VanDerWaalsContact C-N 3.33Å; R428-G430 PolarHBondContact O-N 3.29Å; R428-D431 HydrophobicContact CG-CB 4.03Å; R428-D431 PolarHBondContact O-N 3.11Å; R428-D431 VanDerWaalsContact O-N 3.13Å; R428-L432 HydrophobicContact CG-CG 4.31Å; R428-L432 WeakPolarHBondContact O-CG 3.41Å; R428-L432 PolarHBondContact O-N 2.95Å; R428-I642 PolarHBondContact NH1-O 3.44Å; R428-L643 WeakPolarHBondContact CD-O 3.19Å; R428-L643 PolarHBondContact NH1-O 3.38Å
429L98.3Very high96.8Very high1 Ų139.7 Ų39.71%0.00523%0.231CC..Hα-helixtrans-60.3-32.9178.1-69.5171000113A314 V317 C414 R415 C418 N427 L432 R433A314-L429 HydrophobicContact CB-CD2 3.85Å; V317-L429 HydrophobicContact CB-CD2 4.13Å; V317-L429 HydrophobicContact CG1-CD1 3.9Å; V317-L429 HydrophobicContact CG1-CD2 4.15Å; V317-L429 HydrophobicContact CG1-CG 4.04Å; C414-L429 HydrophobicContact CB-CD2 4.14Å; R415-L429 HydrophobicContact CB-CB 4.2Å; R415-L429 HydrophobicContact CB-CD1 4.45Å; R415-L429 HydrophobicContact CG-CB 4.23Å; C418-L429 HydrophobicContact CB-CD1 4.1Å; N427-L429 PolarHBondContact O-N 3.43Å; L429-L432 HydrophobicContact CD2-CD1 4.44Å; L429-R433 PolarHBondContact O-N 3.26Å
430G96.9Very high96.8Very high24 Ų2438.3 Ų38.325%0.24721%0.214CC..Hα-helixtrans-65.7-49.7171.900000112.4R428 L432 R433 D434R428-G430 PolarHBondContact O-N 3.29Å; G430-L432 PolarHBondContact O-N 3.24Å; G430-R433 WeakPolarHBondContact O-CB 3.47Å; G430-R433 PolarHBondContact O-N 3.47Å; G430-R433 VanDerWaalsContact O-N 3.14Å; G430-D434 PolarHBondContact O-N 2.74Å
431D95.7Very high96.6Very high74 Ų7439.9 Ų39.940%0.39621%0.212SC..Hα-helixtrans-61.2-42.4178.5-62.2-29.4000111.8R428 R433 D434 D435R428-D431 HydrophobicContact CG-CB 4.03Å; R428-D431 PolarHBondContact O-N 3.11Å; R428-D431 VanDerWaalsContact O-N 3.13Å; D431-R433 VanDerWaalsContact C-N 3.27Å; D431-R433 PolarHBondContact O-N 2.9Å; D431-D434 PolarHBondContact O-N 3.33Å; D431-D435 WeakPolarHBondContact O-CB 3.35Å; D431-D435 PolarHBondContact O-N 2.98Å
432L97.8Very high96.3Very high2 Ų241.4 Ų41.41%0.0122%0.216CC..Hα-helixtrans-60.2-37.3176.1-70174000112.2L313 A314 I411 R428 L429 G430 N436L313-L432 HydrophobicContact CB-CD1 3.74Å; L313-L432 HydrophobicContact CB-CD2 4.15Å; L313-L432 HydrophobicContact CD1-CD2 3.6Å; A314-L432 HydrophobicContact CB-CD1 4.3Å; I411-L432 HydrophobicContact CG2-CB 4.27Å; R428-L432 HydrophobicContact CG-CG 4.31Å; R428-L432 WeakPolarHBondContact O-CG 3.41Å; R428-L432 PolarHBondContact O-N 2.95Å; L429-L432 HydrophobicContact CD2-CD1 4.44Å; G430-L432 PolarHBondContact O-N 3.24Å; L432-N436 VanDerWaalsContact O-CB 3.29Å; L432-N436 WeakPolarHBondContact O-CB 3.44Å; L432-N436 PolarHBondContact O-N 3.14Å
433R96.9Very high95.9Very high82 Ų8243.7 Ų43.731%0.30923%0.226SC..Hα-helixtrans-67.7-49.9175.7-169.1-172.569.5-178.62.7110.4I411 L429 G430 D431 D435 N436 D437I411-R433 HydrophobicContact CG2-CB 3.76Å; I411-R433 HydrophobicContact CG2-CG 4.41Å; L429-R433 PolarHBondContact O-N 3.26Å; G430-R433 WeakPolarHBondContact O-CB 3.47Å; G430-R433 PolarHBondContact O-N 3.47Å; G430-R433 VanDerWaalsContact O-N 3.14Å; D431-R433 VanDerWaalsContact C-N 3.27Å; D431-R433 PolarHBondContact O-N 2.9Å; R433-D435 PolarHBondContact O-N 3.24Å; R433-N436 PolarHBondContact O-N 3.23Å; R433-D437 PolarHBondContact O-N 3.48Å
434D96.6Very high95.6Very high43 Ų4335.8 Ų35.823%0.2320%0.202CC..Hα-helixtrans-63-32.3-178.4-70.4-0.4000111.6G244 G430 D431 P438G244-D434 WeakPolarHBondContact CA-O 3.4Å; G430-D434 PolarHBondContact O-N 2.74Å; D431-D434 PolarHBondContact O-N 3.33Å; D434-P438 VanDerWaalsContact O-CD 3.24Å; D434-P438 WeakPolarHBondContact O-CD 3.29Å
435D94.9Very high95.6Very high16 Ų1634.5 Ų34.59%0.08620%0.195CC..Hα-helixtrans-78.2-26.1174.4-77.7-12.2000113.5W107 Q245 D431 R433W107-D435 HydrophobicContact CB-CB 4.46Å; Q245-D435 HydrophobicContact CG-CB 4.39Å; Q245-D435 WeakPolarHBondContact CG-OD1 3.3Å; Q245-D435 PolarHBondContact N-OD1 3.47Å; Q245-D435 PolarHBondContact NE2-O 3.46Å; Q245-D435 VanDerWaalsContact NE2-O 3.08Å; D431-D435 WeakPolarHBondContact O-CB 3.35Å; D431-D435 PolarHBondContact O-N 2.98Å; R433-D435 PolarHBondContact O-N 3.24Å
436N97.3Very high95.7Very high0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-82.4-35.8176.3-177.871.8000113.1N310 S404 A407 Q408 I411 L432 R433 P438 N439N310-N436 HydrophobicContact CB-CB 4.33Å; S404-N436 PolarHBondContact O-ND2 2.81Å; A407-N436 WeakPolarHBondContact CB-OD1 3.49Å; Q408-N436 WeakPolarHBondContact CA-ND2 3.34Å; Q408-N436 PolarHBondContact N-ND2 3.06Å; I411-N436 HydrophobicContact CD1-CB 3.7Å; L432-N436 VanDerWaalsContact O-CB 3.29Å; L432-N436 WeakPolarHBondContact O-CB 3.44Å; L432-N436 PolarHBondContact O-N 3.14Å; R433-N436 PolarHBondContact O-N 3.23Å; N436-P438 VanDerWaalsContact C-CD 3.41Å; N436-P438 VanDerWaalsContact C-N 3.32Å; N436-N439 WeakPolarHBondContact O-CA 3.44Å; N436-N439 WeakPolarHBondContact O-CB 3.21Å; N436-N439 PolarHBondContact O-N 3.43Å; N436-N439 PolarHBondContact O-ND2 3.17Å; N436-N439 PolarHBondContact OD1-ND2 3.16Å; N436-N439 VanDerWaalsContact OD1-ND2 3.09Å
437D96.3Very high95.6Very high37 Ų3733.6 Ų33.620%0.19818%0.183CC..G310 helixtrans-53-38.6-174.6-83.1-5.3000114.6Q408 R433 N439 C440Q408-D437 PolarHBondContact NE2-OD1 3.25Å; R433-D437 PolarHBondContact O-N 3.48Å; D437-N439 PolarHBondContact O-N 3.07Å; D437-N439 VanDerWaalsContact O-N 3.15Å; D437-C440 WeakPolarHBondContact O-CB 3.4Å; D437-C440 PolarHBondContact O-N 3.32Å
438P95.6Very high95.4Very high36 Ų3636.4 Ų36.423%0.23420%0.2CC..G310 helixtrans-55.6-29.9172.2-27.435.8000114D434 N436 C440 T441 Y442D434-P438 VanDerWaalsContact O-CD 3.24Å; D434-P438 WeakPolarHBondContact O-CD 3.29Å; N436-P438 VanDerWaalsContact C-CD 3.41Å; N436-P438 VanDerWaalsContact C-N 3.32Å; P438-C440 PolarHBondContact O-N 3.27Å; P438-C440 VanDerWaalsContact O-N 3.12Å; P438-T441 PolarHBondContact O-N 3.46Å; P438-Y442 WeakPolarHBondContact O-CD1 3.28Å; P438-Y442 PolarHBondContact O-N 3.1Å
439N96.5Very high95.3Very high0 Ų036.4 Ų36.40%020%0.2CC..G310 helixtrans-59-23175.5-62.8-39.9000113.1I303 K400 N436 D437 T441 Y442I303-N439 HydrophobicContact CG2-CB 3.8Å; K400-N439 WeakPolarHBondContact CE-O 3.41Å; K400-N439 PolarHBondContact NZ-O 3.1Å; K400-N439 VanDerWaalsContact NZ-O 3.08Å; N436-N439 WeakPolarHBondContact O-CA 3.44Å; N436-N439 WeakPolarHBondContact O-CB 3.21Å; N436-N439 PolarHBondContact O-N 3.43Å; N436-N439 PolarHBondContact O-ND2 3.17Å; N436-N439 PolarHBondContact OD1-ND2 3.16Å; N436-N439 VanDerWaalsContact OD1-ND2 3.09Å; D437-N439 PolarHBondContact O-N 3.07Å; D437-N439 VanDerWaalsContact O-N 3.15Å; N439-T441 VanDerWaalsContact C-N 3.3Å; N439-Y442 VanDerWaalsContact CA-CE1 3.45Å; N439-Y442 HydrophobicContact CB-CE1 4.26Å; N439-Y442 VanDerWaalsContact OD1-CE1 3.25Å; N439-Y442 WeakPolarHBondContact OD1-CE1 3.48Å; N439-Y442 VanDerWaalsContact OD1-CZ 3.26Å; N439-Y442 PolarHBondContact OD1-OH 2.73Å
440C97.1Very high95.2Very high12 Ų1236.3 Ų36.38%0.08120%0.2CC..G310 helixtrans-80.1-10.6176.2-61.70000113.7D437 P438 N446D437-C440 WeakPolarHBondContact O-CB 3.4Å; D437-C440 PolarHBondContact O-N 3.32Å; P438-C440 PolarHBondContact O-N 3.27Å; P438-C440 VanDerWaalsContact O-N 3.12Å; C440-N446 WeakPolarHBondContact CA-ND2 3.21Å; C440-N446 PolarHBondContact O-N 2.65Å; C440-N446 PolarHBondContact O-OD1 3.37Å
441T95.3Very high95.2Very high94 Ų9437.9 Ų37.958%0.57720%0.201SC*.THydrogen-bonded Turntrans-125.7-52.5-167.2-550000113.8P438 N439 G444 D445P438-T441 PolarHBondContact O-N 3.46Å; N439-T441 VanDerWaalsContact C-N 3.3Å; T441-G444 CarbonylContact O-C 3.48Å; T441-G444 VanDerWaalsContact O-C 3.31Å; T441-D445 PolarHBondContact O-N 3.23Å
442Y91.6Very high95.1Very high77 Ų7738.2 Ų38.230%0.30220%0.2SC..THydrogen-bonded Turntrans-70.5167.9-176.169.8-3.6000112.6I303 M306 K400 P438 N439 G444I303-Y442 HydrophobicContact CD1-CD1 3.87Å; I303-Y442 HydrophobicContact CD1-CE1 3.39Å; I303-Y442 HydrophobicContact CG1-CE1 3.76Å; I303-Y442 HydrophobicContact CG2-CE1 4.12Å; M306-Y442 VanDerWaalsContact CE-OH 3.3Å; M306-Y442 WeakPolarHBondContact CE-OH 3.42Å; K400-Y442 WeakPolarHBondContact CE-O 3.19Å; K400-Y442 PolarHBondContact NZ-O 2.64Å; P438-Y442 WeakPolarHBondContact O-CD1 3.28Å; P438-Y442 PolarHBondContact O-N 3.1Å; N439-Y442 VanDerWaalsContact CA-CE1 3.45Å; N439-Y442 HydrophobicContact CB-CE1 4.26Å; N439-Y442 VanDerWaalsContact OD1-CE1 3.25Å; N439-Y442 WeakPolarHBondContact OD1-CE1 3.48Å; N439-Y442 VanDerWaalsContact OD1-CZ 3.26Å; N439-Y442 PolarHBondContact OD1-OH 2.73Å; Y442-G444 PolarHBondContact O-N 3.04Å
443E88.8Confident95.1Very high50 Ų5038.1 Ų38.123%0.23420%0.2CC..THydrogen-bonded Turntrans56.923.1-177.5-73.3-76-179.300113.9M119 L296 R300 I303M119-E443 WeakPolarHBondContact CE-OE1 3.48Å; L296-E443 VanDerWaalsContact CD2-OE2 3.3Å; L296-E443 WeakPolarHBondContact CD2-OE2 3.48Å; R300-E443 HydrophobicContact CG-CB 4.48Å; R300-E443 PolarHBondContact NE-O 3.38Å; R300-E443 PolarHBondContact NH2-O 3.4Å; I303-E443 HydrophobicContact CD1-CB 3.42Å; I303-E443 VanDerWaalsContact CD1-CB 3.42Å; I303-E443 HydrophobicContact CD1-CG 3.55Å
444G91.6Very high95.1Very high21 Ų2134.2 Ų34.222%0.21619%0.185CC..SBendtrans109.6126.9-179.100000111.8K400 T441 Y442 N446 L449K400-G444 PolarHBondContact NZ-O 3.01Å; T441-G444 CarbonylContact O-C 3.48Å; T441-G444 VanDerWaalsContact O-C 3.31Å; Y442-G444 PolarHBondContact O-N 3.04Å; G444-N446 PolarHBondContact O-N 3.29Å; G444-L449 WeakPolarHBondContact O-CD1 3.5Å
445D95.3Very high95.1Very high51 Ų5134.1 Ų34.127%0.27319%0.185SC..  trans-55.5136.4174.8167.8-95.5000111.1T441 N447 V448 L449T441-D445 PolarHBondContact O-N 3.23Å; D445-N447 VanDerWaalsContact C-N 3.3Å; D445-N447 PolarHBondContact O-N 3.13Å; D445-N447 WeakPolarHBondContact OD1-CA 3.48Å; D445-N447 WeakPolarHBondContact OD1-CB 3.48Å; D445-N447 PolarHBondContact OD1-N 3.49Å; D445-V448 HydrophobicContact CB-CB 4.18Å; D445-V448 HydrophobicContact CB-CG2 4.05Å; D445-V448 PolarHBondContact O-N 3.34Å; D445-V448 VanDerWaalsContact O-N 3.17Å; D445-V448 WeakPolarHBondContact OD1-CG2 3.18Å; D445-V448 PolarHBondContact OD1-N 3.22Å; D445-L449 WeakPolarHBondContact O-CG 3.35Å; D445-L449 PolarHBondContact O-N 3.49Å
446N96.8Very high95.2Very high1 Ų134.1 Ų34.11%0.00518%0.183CC..Hα-helixtrans-59.1-38-174.1-79.40.2000113.7K400 P401 S404 W405 C440 G444 L450K400-N446 PolarHBondContact NZ-OD1 2.88Å; P401-N446 HydrophobicContact CB-CB 3.98Å; P401-N446 HydrophobicContact CG-CB 4Å; S404-N446 PolarHBondContact OG-ND2 2.88Å; W405-N446 HydrophobicContact CH2-CB 3.8Å; W405-N446 HydrophobicContact CZ2-CB 3.33Å; W405-N446 PolarHBondContact NE1-ND2 3.13Å; C440-N446 WeakPolarHBondContact CA-ND2 3.21Å; C440-N446 PolarHBondContact O-N 2.65Å; C440-N446 PolarHBondContact O-OD1 3.37Å; G444-N446 PolarHBondContact O-N 3.29Å; N446-L450 WeakPolarHBondContact O-CG 3.36Å
447N94.1Very high95.3Very high76 Ų7634.2 Ų34.241%0.40618%0.184SC..Hα-helixtrans-75.5-33.5-179.6-67.7-71.1000111.7D445 R548D445-N447 VanDerWaalsContact C-N 3.3Å; D445-N447 PolarHBondContact O-N 3.13Å; D445-N447 WeakPolarHBondContact OD1-CA 3.48Å; D445-N447 WeakPolarHBondContact OD1-CB 3.48Å; D445-N447 PolarHBondContact OD1-N 3.49Å; N447-R548 PolarHBondContact OD1-NE 3.43Å
448V93.2Very high95.4Very high59 Ų5933 Ų3336%0.35818%0.177SC..Hα-helixtrans-69.4-39.7174.9177.40000111.5D445 L450 Q451D445-V448 HydrophobicContact CB-CB 4.18Å; D445-V448 HydrophobicContact CB-CG2 4.05Å; D445-V448 PolarHBondContact O-N 3.34Å; D445-V448 VanDerWaalsContact O-N 3.17Å; D445-V448 WeakPolarHBondContact OD1-CG2 3.18Å; D445-V448 PolarHBondContact OD1-N 3.22Å; V448-L450 PolarHBondContact O-N 3.33Å; V448-Q451 WeakPolarHBondContact O-CB 3.47Å; V448-Q451 WeakPolarHBondContact O-CG 3.3Å; V448-Q451 PolarHBondContact O-N 2.85Å
449L94.6Very high95.4Very high8 Ų834.4 Ų34.44%0.04219%0.188CC..Hα-helixtrans-63.6-38.7-177.7-74.9178.2000113.2C397 K400 P401 G444 D445 Q451 Q452C397-L449 HydrophobicContact CB-CB 4.25Å; C397-L449 WeakPolarHBondContact CB-O 3.49Å; C397-L449 WeakPolarHBondContact O-CB 3.43Å; K400-L449 HydrophobicContact CD-CD1 3.45Å; K400-L449 VanDerWaalsContact CD-CD1 3.45Å; P401-L449 HydrophobicContact CG-CB 4.43Å; G444-L449 WeakPolarHBondContact O-CD1 3.5Å; D445-L449 WeakPolarHBondContact O-CG 3.35Å; D445-L449 PolarHBondContact O-N 3.49Å; L449-Q451 PolarHBondContact O-N 2.75Å; L449-Q451 VanDerWaalsContact O-N 3.07Å; L449-Q452 WeakPolarHBondContact O-CB 3.31Å; L449-Q452 PolarHBondContact O-N 3Å
450L97.2Very high95.5Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-56.8-28.7-179.5-69.3168.3000112.9P401 W405 N446 V448 Q452 T453 S454 R548 A551 I552P401-L450 HydrophobicContact CB-CD2 4.14Å; P401-L450 HydrophobicContact CB-CG 4.33Å; P401-L450 HydrophobicContact CG-CD2 4.04Å; P401-L450 HydrophobicContact CG-CG 4.1Å; W405-L450 HydrophobicContact CH2-CD1 3.98Å; W405-L450 HydrophobicContact CZ3-CD1 3.97Å; N446-L450 WeakPolarHBondContact O-CG 3.36Å; V448-L450 PolarHBondContact O-N 3.33Å; L450-Q452 PolarHBondContact O-N 3.37Å; L450-T453 PolarHBondContact O-N 2.97Å; L450-S454 PolarHBondContact O-N 3.24Å; L450-S454 PolarHBondContact O-OG 3.02Å; L450-R548 HydrophobicContact CD1-CG 3.68Å; L450-A551 HydrophobicContact CB-CB 4.01Å; L450-A551 HydrophobicContact CD2-CB 3.8Å; L450-A551 HydrophobicContact CG-CB 4.49Å; L450-A551 WeakPolarHBondContact O-CB 3.41Å; L450-I552 HydrophobicContact CD1-CD1 3.87Å; L450-I552 HydrophobicContact CD1-CG1 3.9Å; L450-I552 HydrophobicContact CD2-CD1 3.57Å; L450-I552 HydrophobicContact CD2-CG1 3.93Å; L450-I552 HydrophobicContact CG-CD1 4.37Å
451Q95.4Very high95.5Very high56 Ų5635.5 Ų35.526%0.26219%0.193SC..Hα-helixtrans-61.1-33.6176-51.6-168.3-6.700112.2V448 L449 S454 N455 Q543V448-Q451 WeakPolarHBondContact O-CB 3.47Å; V448-Q451 WeakPolarHBondContact O-CG 3.3Å; V448-Q451 PolarHBondContact O-N 2.85Å; L449-Q451 PolarHBondContact O-N 2.75Å; L449-Q451 VanDerWaalsContact O-N 3.07Å; Q451-S454 WeakPolarHBondContact CA-OG 3.37Å; Q451-S454 PolarHBondContact O-OG 3.26Å; Q451-N455 VanDerWaalsContact O-CB 3.31Å; Q451-N455 WeakPolarHBondContact O-CB 3.49Å; Q451-N455 PolarHBondContact O-N 2.85Å; Q451-N455 PolarHBondContact O-ND2 3.08Å; Q451-N455 VanDerWaalsContact O-ND2 3.14Å; Q451-Q543 HydrophobicContact CG-CG 4.28Å
452Q94.6Very high95.5Very high82 Ų8235.2 Ų35.238%0.38318%0.184SC..Hα-helixtrans-66.6-41.9178.8-57.1-56.5-54.300111C397 L449 L450 N455 Y456C397-Q452 HydrophobicContact CB-CB 4.05Å; L449-Q452 WeakPolarHBondContact O-CB 3.31Å; L449-Q452 PolarHBondContact O-N 3Å; L450-Q452 PolarHBondContact O-N 3.37Å; Q452-N455 PolarHBondContact O-N 3.23Å; Q452-Y456 PolarHBondContact O-N 3.27Å; Q452-Y456 VanDerWaalsContact O-N 3.07Å
453T97.6Very high95.7Very high0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-66.7-45.5176.8-50.30000111.5A394 S398 L450 N455 Y456 L457 A551 Y554A394-T453 HydrophobicContact CB-CG2 4.38Å; A394-T453 WeakPolarHBondContact O-CG2 3.41Å; A394-T453 PolarHBondContact O-OG1 3.32Å; S398-T453 WeakPolarHBondContact CB-OG1 3.42Å; S398-T453 PolarHBondContact N-OG1 2.83Å; L450-T453 PolarHBondContact O-N 2.97Å; T453-N455 VanDerWaalsContact C-N 3.32Å; T453-N455 PolarHBondContact O-N 3.21Å; T453-Y456 WeakPolarHBondContact O-CB 3.18Å; T453-Y456 PolarHBondContact O-N 3.36Å; T453-L457 HydrophobicContact CG2-CD1 4.41Å; T453-L457 WeakPolarHBondContact O-CG 3.48Å; T453-L457 PolarHBondContact O-N 3.01Å; T453-A551 HydrophobicContact CG2-CB 4.11Å; T453-Y554 HydrophobicContact CG2-CD1 3.62Å; T453-Y554 HydrophobicContact CG2-CE1 3.93Å
454S97.9Very high96Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-64.5-37.3178.161.30000112.5L450 Q451 Y456 L457 L458 C547L450-S454 PolarHBondContact O-N 3.24Å; L450-S454 PolarHBondContact O-OG 3.02Å; Q451-S454 WeakPolarHBondContact CA-OG 3.37Å; Q451-S454 PolarHBondContact O-OG 3.26Å; S454-Y456 VanDerWaalsContact C-N 3.33Å; S454-Y456 PolarHBondContact O-N 3.43Å; S454-L457 PolarHBondContact O-N 2.93Å; S454-L458 WeakPolarHBondContact O-CB 3.25Å; S454-L458 WeakPolarHBondContact O-CG 3.47Å; S454-L458 PolarHBondContact O-N 3.43Å; S454-C547 WeakPolarHBondContact CB-O 3.12Å
455N96.3Very high96.2Very high41 Ų4134.6 Ų34.622%0.21918%0.184CC..Hα-helixtrans-64.4-38.8175.6-71.7-18.8000111.7Q451 Q452 T453 S459Q451-N455 VanDerWaalsContact O-CB 3.31Å; Q451-N455 WeakPolarHBondContact O-CB 3.49Å; Q451-N455 PolarHBondContact O-N 2.85Å; Q451-N455 PolarHBondContact O-ND2 3.08Å; Q451-N455 VanDerWaalsContact O-ND2 3.14Å; Q452-N455 PolarHBondContact O-N 3.23Å; T453-N455 VanDerWaalsContact C-N 3.32Å; T453-N455 PolarHBondContact O-N 3.21Å; N455-S459 VanDerWaalsContact O-CB 3.29Å; N455-S459 WeakPolarHBondContact O-CB 3.15Å; N455-S459 PolarHBondContact O-N 2.93Å; N455-S459 PolarHBondContact O-OG 3.43Å
456Y97.2Very high96.1Very high16 Ų1637.7 Ų37.76%0.06320%0.197CC..Hα-helixtrans-58.3-53.1172.6170.9-108.8000111E387 R390 A394 Q452 T453 S454 L458 S459 L460 V478E387-Y456 WeakPolarHBondContact OE1-CE2 3.45Å; E387-Y456 PolarHBondContact OE1-OH 3.33Å; R390-Y456 HydrophobicContact CB-CD2 4.42Å; R390-Y456 HydrophobicContact CB-CE2 4.16Å; A394-Y456 HydrophobicContact CB-CD1 3.4Å; A394-Y456 VanDerWaalsContact CB-CD1 3.4Å; A394-Y456 HydrophobicContact CB-CD2 4.43Å; A394-Y456 HydrophobicContact CB-CE1 4.03Å; A394-Y456 HydrophobicContact CB-CG 3.63Å; Q452-Y456 PolarHBondContact O-N 3.27Å; Q452-Y456 VanDerWaalsContact O-N 3.07Å; T453-Y456 WeakPolarHBondContact O-CB 3.18Å; T453-Y456 PolarHBondContact O-N 3.36Å; S454-Y456 VanDerWaalsContact C-N 3.33Å; S454-Y456 PolarHBondContact O-N 3.43Å; Y456-L458 PolarHBondContact O-N 3Å; Y456-S459 PolarHBondContact O-N 3.4Å; Y456-S459 VanDerWaalsContact O-N 3.15Å; Y456-S459 PolarHBondContact O-OG 3.2Å; Y456-L460 HydrophobicContact CD1-CD1 4.38Å; Y456-L460 HydrophobicContact CE1-CD1 3.81Å; Y456-L460 HydrophobicContact CE2-CD1 4.05Å; Y456-L460 HydrophobicContact CE2-CG 4.36Å; Y456-L460 PolarHBondContact O-N 3.12Å; Y456-V478 HydrophobicContact CE1-CG1 4.22Å
457L98.6Very high96Very high1 Ų142.9 Ų42.91%0.00523%0.225CC..Hα-helixtrans-60.4-45.6-179.9-64171.3000112.6T453 S454 S459 L460 F461 V478 L481 L518 L550 Y554T453-L457 HydrophobicContact CG2-CD1 4.41Å; T453-L457 WeakPolarHBondContact O-CG 3.48Å; T453-L457 PolarHBondContact O-N 3.01Å; S454-L457 PolarHBondContact O-N 2.93Å; L457-S459 VanDerWaalsContact C-N 3.31Å; L457-S459 PolarHBondContact O-N 3.15Å; L457-L460 PolarHBondContact O-N 3.19Å; L457-F461 PolarHBondContact O-N 2.68Å; L457-V478 HydrophobicContact CD2-CG1 3.59Å; L457-L481 HydrophobicContact CD2-CD1 4.33Å; L457-L518 HydrophobicContact CB-CD1 4.18Å; L457-L550 HydrophobicContact CB-CD2 4.26Å; L457-L550 HydrophobicContact CD1-CD1 4.13Å; L457-L550 HydrophobicContact CD1-CD2 4.16Å; L457-L550 HydrophobicContact CD1-CG 3.78Å; L457-Y554 HydrophobicContact CD1-CD1 4.41Å; L457-Y554 HydrophobicContact CD1-CD2 4.3Å; L457-Y554 HydrophobicContact CD1-CG 3.93Å; L457-Y554 HydrophobicContact CD2-CD2 3.92Å; L457-Y554 HydrophobicContact CD2-CE2 4.06Å; L457-Y554 HydrophobicContact CD2-CG 4.31Å
458L97.6Very high95.9Very high12 Ų1245.2 Ų45.26%0.06324%0.237CC..Hα-helixtrans-65-34177.1-72.6173.7000112.2S454 Y456 F461 H462 L518 Q522S454-L458 WeakPolarHBondContact O-CB 3.25Å; S454-L458 WeakPolarHBondContact O-CG 3.47Å; S454-L458 PolarHBondContact O-N 3.43Å; Y456-L458 PolarHBondContact O-N 3Å; L458-F461 PolarHBondContact O-N 2.89Å; L458-H462 VanDerWaalsContact O-CB 3.25Å; L458-H462 WeakPolarHBondContact O-CB 3.34Å; L458-H462 PolarHBondContact O-N 3.4Å; L458-L518 HydrophobicContact CD2-CD1 4.09Å; L458-Q522 HydrophobicContact CD2-CB 4.06Å
459S96.6Very high96.1Very high66 Ų6645.8 Ų45.846%0.46224%0.24SC..Hα-helixtrans-65.5-40177.375.10000112.4N455 Y456 L457 A463N455-S459 VanDerWaalsContact O-CB 3.29Å; N455-S459 WeakPolarHBondContact O-CB 3.15Å; N455-S459 PolarHBondContact O-N 2.93Å; N455-S459 PolarHBondContact O-OG 3.43Å; Y456-S459 PolarHBondContact O-N 3.4Å; Y456-S459 VanDerWaalsContact O-N 3.15Å; Y456-S459 PolarHBondContact O-OG 3.2Å; L457-S459 VanDerWaalsContact C-N 3.31Å; L457-S459 PolarHBondContact O-N 3.15Å; S459-A463 PolarHBondContact O-N 3.43Å; S459-A463 VanDerWaalsContact O-N 3.08Å
460L97.5Very high96.1Very high29 Ų2948.7 Ų48.715%0.15226%0.26CS..Hα-helixtrans-66.1-44.4174.5-63.8174.9000110.9Y456 L457 A463 K464 I471 V478Y456-L460 HydrophobicContact CD1-CD1 4.38Å; Y456-L460 HydrophobicContact CE1-CD1 3.81Å; Y456-L460 HydrophobicContact CE2-CD1 4.05Å; Y456-L460 HydrophobicContact CE2-CG 4.36Å; Y456-L460 PolarHBondContact O-N 3.12Å; L457-L460 PolarHBondContact O-N 3.19Å; L460-A463 PolarHBondContact O-N 3.19Å; L460-K464 PolarHBondContact O-N 2.68Å; L460-I471 HydrophobicContact CB-CG2 4.23Å; L460-I471 HydrophobicContact CD1-CG2 4.28Å; L460-V478 HydrophobicContact CD1-CB 4.34Å; L460-V478 HydrophobicContact CD1-CG1 4.29Å; L460-V478 HydrophobicContact CD1-CG2 3.85Å
461F97.7Very high96.1Very high5 Ų548.8 Ų48.82%0.02226%0.261CS..Hα-helixtrans-64.4-41.6178.7-168.7-122.5000112.5L457 L458 A463 K464 L465 I471 Y484 L518 V519 Q522L457-F461 PolarHBondContact O-N 2.68Å; L458-F461 PolarHBondContact O-N 2.89Å; F461-A463 VanDerWaalsContact C-N 3.34Å; F461-A463 PolarHBondContact O-N 2.58Å; F461-K464 WeakPolarHBondContact O-CB 3.43Å; F461-K464 PolarHBondContact O-N 2.76Å; F461-L465 HydrophobicContact CD1-CD1 3.88Å; F461-L465 HydrophobicContact CD1-CG 4.41Å; F461-L465 HydrophobicContact CE1-CD1 3.5Å; F461-L465 HydrophobicContact CE1-CG 4.15Å; F461-L465 HydrophobicContact CE2-CD2 4.35Å; F461-L465 HydrophobicContact CE2-CG 4.33Å; F461-L465 HydrophobicContact CZ-CD1 3.87Å; F461-L465 HydrophobicContact CZ-CD2 4.09Å; F461-L465 HydrophobicContact CZ-CG 4.09Å; F461-L465 WeakPolarHBondContact O-CG 3.45Å; F461-L465 PolarHBondContact O-N 2.83Å; F461-I471 HydrophobicContact CD2-CD1 4.11Å; F461-Y484 AromaticContact CE2-CD1 3.92Å; F461-Y484 HydrophobicContact CE2-CD1 3.92Å; F461-Y484 HydrophobicContact CE2-CD2 4.2Å; F461-Y484 AromaticContact CE2-CE1 3.78Å; F461-Y484 HydrophobicContact CE2-CE1 3.78Å; F461-Y484 HydrophobicContact CE2-CE2 4.06Å; F461-Y484 HydrophobicContact CE2-CG 4.13Å; F461-Y484 AromaticContact CE2-CZ 3.85Å; F461-Y484 HydrophobicContact CZ-CD2 4.42Å; F461-Y484 HydrophobicContact CZ-CE1 4.44Å; F461-Y484 HydrophobicContact CZ-CE2 4.03Å; F461-L518 HydrophobicContact CB-CD1 3.94Å; F461-L518 HydrophobicContact CB-CD2 3.96Å; F461-L518 HydrophobicContact CB-CG 4.06Å; F461-L518 HydrophobicContact CD1-CD1 4.39Å; F461-L518 HydrophobicContact CD1-CD2 4.37Å; F461-L518 HydrophobicContact CD1-CG 3.95Å; F461-L518 HydrophobicContact CD2-CD2 3.53Å; F461-L518 HydrophobicContact CD2-CG 4.03Å; F461-L518 HydrophobicContact CE1-CG 4.38Å; F461-L518 HydrophobicContact CE2-CD2 4.09Å; F461-L518 HydrophobicContact CE2-CG 4.48Å; F461-L518 HydrophobicContact CG-CD1 4.16Å; F461-L518 HydrophobicContact CG-CD2 3.71Å; F461-L518 HydrophobicContact CG-CG 3.75Å; F461-V519 HydrophobicContact CE1-CG2 4.43Å; F461-V519 HydrophobicContact CZ-CG2 3.93Å; F461-Q522 HydrophobicContact CD1-CB 4.01Å; F461-Q522 HydrophobicContact CD1-CG 4.1Å; F461-Q522 HydrophobicContact CE1-CB 3.95Å; F461-Q522 HydrophobicContact CE1-CG 4.04Å
462H95.4Very high96.2Very high88 Ų8852.3 Ų52.341%0.40728%0.277SS..Hα-helixtrans-60.4-43.1173.8-179.9-74.4000111.4L458 K464 L465 H466L458-H462 VanDerWaalsContact O-CB 3.25Å; L458-H462 WeakPolarHBondContact O-CB 3.34Å; L458-H462 PolarHBondContact O-N 3.4Å; H462-K464 VanDerWaalsContact C-N 3.31Å; H462-K464 PolarHBondContact O-N 3.45Å; H462-L465 PolarHBondContact O-N 3.37Å; H462-H466 AromaticContact CD2-CD2 3.47Å; H462-H466 PolarHBondContact CD2-CD2 3.12Å; H462-H466 VanDerWaalsContact CD2-CD2 3.47Å; H462-H466 AromaticContact CD2-NE2 3.82Å; H462-H466 AromaticContact CE1-CD2 3.52Å; H462-H466 AromaticContact CG-CD2 3.73Å; H462-H466 AromaticContact ND1-CD2 3.76Å; H462-H466 AromaticContact NE2-CD2 3.35Å; H462-H466 PolarHBondContact NE2-CD2 3.17Å; H462-H466 AromaticContact NE2-NE2 3.77Å; H462-H466 PolarHBondContact O-CD2 3.37Å; H462-H466 PolarHBondContact O-N 3.08Å
463A96.1Very high96.2Very high24 Ų2448.8 Ų48.820%0.19826%0.261CS..Hα-helixtrans-62.4-38.5175.500000112.1S459 L460 F461 N467 D468 V469S459-A463 PolarHBondContact O-N 3.43Å; S459-A463 VanDerWaalsContact O-N 3.08Å; L460-A463 PolarHBondContact O-N 3.19Å; F461-A463 VanDerWaalsContact C-N 3.34Å; F461-A463 PolarHBondContact O-N 2.58Å; A463-N467 CarbonylContact O-C 3.57Å; A463-N467 WeakPolarHBondContact O-CA 3.36Å; A463-N467 VanDerWaalsContact O-CB 3.3Å; A463-N467 WeakPolarHBondContact O-CB 3.15Å; A463-N467 PolarHBondContact O-N 3.34Å; A463-D468 PolarHBondContact O-N 3.18Å; A463-V469 HydrophobicContact CB-CB 4.15Å; A463-V469 PolarHBondContact O-N 3.35Å
464K95.8Very high96.2Very high38 Ų3850 Ų5017%0.16527%0.27CS..Hα-helixtrans-62.5-48.4173.2-179.666.6176.8-169.30112.3L460 F461 H462 D468 V469 I471 D482L460-K464 PolarHBondContact O-N 2.68Å; F461-K464 WeakPolarHBondContact O-CB 3.43Å; F461-K464 PolarHBondContact O-N 2.76Å; H462-K464 VanDerWaalsContact C-N 3.31Å; H462-K464 PolarHBondContact O-N 3.45Å; K464-D468 WeakPolarHBondContact O-CA 3.35Å; K464-D468 PolarHBondContact O-N 2.92Å; K464-V469 VanDerWaalsContact CA-O 3.29Å; K464-V469 WeakPolarHBondContact CA-O 3.42Å; K464-V469 WeakPolarHBondContact CB-O 3.42Å; K464-V469 WeakPolarHBondContact CD-O 3.3Å; K464-I471 HydrophobicContact CB-CD1 3.92Å; K464-I471 HydrophobicContact CB-CG1 3.77Å; K464-I471 HydrophobicContact CD-CG1 4.41Å; K464-I471 HydrophobicContact CG-CD1 4.17Å; K464-I471 HydrophobicContact CG-CG1 4.13Å; K464-D482 WeakPolarHBondContact CE-OD1 3.31Å; K464-D482 IonicContact NZ-OD1 3.95Å; K464-D482 PolarHBondContact NZ-OD1 3.14Å; K464-D482 IonicContact NZ-OD2 3.62Å; K464-D482 PolarHBondContact NZ-OD2 2.76Å
465L94.3Very high96.1Very high74 Ų7451.2 Ų51.239%0.38728%0.275SS..Hα-helixtrans-68.8-39.4-176-70.2-179.8000113.6F461 H462 Q522F461-L465 HydrophobicContact CD1-CD1 3.88Å; F461-L465 HydrophobicContact CD1-CG 4.41Å; F461-L465 HydrophobicContact CE1-CD1 3.5Å; F461-L465 HydrophobicContact CE1-CG 4.15Å; F461-L465 HydrophobicContact CE2-CD2 4.35Å; F461-L465 HydrophobicContact CE2-CG 4.33Å; F461-L465 HydrophobicContact CZ-CD1 3.87Å; F461-L465 HydrophobicContact CZ-CD2 4.09Å; F461-L465 HydrophobicContact CZ-CG 4.09Å; F461-L465 WeakPolarHBondContact O-CG 3.45Å; F461-L465 PolarHBondContact O-N 2.83Å; H462-L465 PolarHBondContact O-N 3.37Å; L465-Q522 HydrophobicContact CD1-CG 4.36Å
466H94Very high96.1Very high115 Ų11555.6 Ų55.653%0.53229%0.293SS..Hα-helixtrans-101.3-26.5-170.9-66.9-70.8000114.2H462H462-H466 AromaticContact CD2-CD2 3.47Å; H462-H466 PolarHBondContact CD2-CD2 3.12Å; H462-H466 VanDerWaalsContact CD2-CD2 3.47Å; H462-H466 AromaticContact CD2-NE2 3.82Å; H462-H466 AromaticContact CE1-CD2 3.52Å; H462-H466 AromaticContact CG-CD2 3.73Å; H462-H466 AromaticContact ND1-CD2 3.76Å; H462-H466 AromaticContact NE2-CD2 3.35Å; H462-H466 PolarHBondContact NE2-CD2 3.17Å; H462-H466 AromaticContact NE2-NE2 3.77Å; H462-H466 PolarHBondContact O-CD2 3.37Å; H462-H466 PolarHBondContact O-N 3.08Å
467N94.3Very high96.1Very high110 Ų11055.3 Ų55.359%0.58829%0.294SS*.Hα-helixtrans-1213.8-174-53.4-30.5000112.8A463 V469A463-N467 CarbonylContact O-C 3.57Å; A463-N467 WeakPolarHBondContact O-CA 3.36Å; A463-N467 VanDerWaalsContact O-CB 3.3Å; A463-N467 WeakPolarHBondContact O-CB 3.15Å; A463-N467 PolarHBondContact O-N 3.34Å; N467-V469 HydrophobicContact CB-CG2 3.81Å; N467-V469 PolarHBondContact O-N 3.41Å; N467-V469 VanDerWaalsContact O-N 3.13Å
468D92.9Very high96.1Very high126 Ų12655.3 Ų55.367%0.67429%0.293SS*.  trans51.232.4-175.3-161.232.1000113.5A463 K464A463-D468 PolarHBondContact O-N 3.18Å; K464-D468 WeakPolarHBondContact O-CA 3.35Å; K464-D468 PolarHBondContact O-N 2.92Å
469V95.8Very high96.1Very high70 Ų7056.7 Ų56.742%0.42430%0.301SS..  trans-80.1125.9178.1176.40000108.8A463 K464 N467A463-V469 HydrophobicContact CB-CB 4.15Å; A463-V469 PolarHBondContact O-N 3.35Å; K464-V469 VanDerWaalsContact CA-O 3.29Å; K464-V469 WeakPolarHBondContact CA-O 3.42Å; K464-V469 WeakPolarHBondContact CB-O 3.42Å; K464-V469 WeakPolarHBondContact CD-O 3.3Å; N467-V469 HydrophobicContact CB-CG2 3.81Å; N467-V469 PolarHBondContact O-N 3.41Å; N467-V469 VanDerWaalsContact O-N 3.13Å
470P96.1Very high96.1Very high70 Ų7054.8 Ų54.846%0.45528%0.284SS..  trans-58.5139.4176.1-24.534.3000112.3Q472 D482P470-Q472 HydrophobicContact CB-CG 4.29Å; P470-Q472 PolarHBondContact O-N 3.03Å; P470-D482 VanDerWaalsContact CA-OD1 3.3Å; P470-D482 WeakPolarHBondContact CA-OD1 3.49Å
471I97.1Very high96.1Very high2 Ų253.5 Ų53.51%0.0128%0.278CS..  trans-81.6104174.4-57.3179.7000108.2L460 F461 K464 V478 D479 L481 D482L460-I471 HydrophobicContact CB-CG2 4.23Å; L460-I471 HydrophobicContact CD1-CG2 4.28Å; F461-I471 HydrophobicContact CD2-CD1 4.11Å; K464-I471 HydrophobicContact CB-CD1 3.92Å; K464-I471 HydrophobicContact CB-CG1 3.77Å; K464-I471 HydrophobicContact CD-CG1 4.41Å; K464-I471 HydrophobicContact CG-CD1 4.17Å; K464-I471 HydrophobicContact CG-CG1 4.13Å; I471-V478 HydrophobicContact CG2-CB 4.02Å; I471-V478 HydrophobicContact CG2-CG2 3.96Å; I471-D479 WeakPolarHBondContact O-CA 3.35Å; I471-L481 HydrophobicContact CD1-CB 4.07Å; I471-L481 HydrophobicContact CG2-CB 4.11Å; I471-D482 HydrophobicContact CB-CB 4.3Å; I471-D482 PolarHBondContact N-OD1 2.86Å
472Q96Very high96.1Very high130 Ų13055.3 Ų55.361%0.60729%0.288SS*.  trans-142.8153-179.9-67-177.6-20.300111P470 D479P470-Q472 HydrophobicContact CB-CG 4.29Å; P470-Q472 PolarHBondContact O-N 3.03Å; Q472-D479 WeakPolarHBondContact CA-OD1 3.08Å
473S96.1Very high96.1Very high8 Ų855.6 Ų55.66%0.05629%0.292CS..  trans-142.6149.8-178.555.40000112.6E391 F475 H476 T477 V478 D479E391-S473 WeakPolarHBondContact OE1-CB 3.38Å; E391-S473 PolarHBondContact OE1-OG 2.97Å; S473-F475 VanDerWaalsContact C-N 3.25Å; S473-F475 PolarHBondContact O-N 3.35Å; S473-H476 PolarHBondContact O-N 3.18Å; S473-H476 WeakPolarHBondContact OG-CA 3.41Å; S473-H476 PolarHBondContact OG-N 3.24Å; S473-T477 PolarHBondContact OG-N 3.33Å; S473-V478 VanDerWaalsContact CB-CG2 3.45Å; S473-V478 VanDerWaalsContact OG-CG2 3.27Å; S473-V478 WeakPolarHBondContact OG-CG2 3.35Å; S473-V478 PolarHBondContact OG-N 3.08Å; S473-D479 PolarHBondContact N-OD1 3.35Å; S473-D479 PolarHBondContact OG-OD1 2.91Å; S473-D479 VanDerWaalsContact OG-OD1 3.1Å
474P96.4Very high96.2Very high26 Ų2656.1 Ų56.117%0.16929%0.289CS..THydrogen-bonded Turntrans-54.6-34.3178.6-29.835.7000115.1R384 E387 M388 E391R384-P474 HydrophobicContact CG-CG 4.37Å; E387-P474 HydrophobicContact CB-CG 3.98Å; E387-P474 HydrophobicContact CG-CG 3.75Å; M388-P474 HydrophobicContact CG-CB 3.5Å; M388-P474 HydrophobicContact CG-CG 3.73Å; E391-P474 VanDerWaalsContact OE2-CD 3.27Å; E391-P474 WeakPolarHBondContact OE2-CD 3.44Å
475F96.2Very high96.3Very high24 Ų2459.1 Ų59.111%0.10531%0.307CS..THydrogen-bonded Turntrans-101.813.4177-45.6-52.8000113.3N368 M388 E391 I392 S473 T477N368-F475 HydrophobicContact CB-CD1 3.93Å; N368-F475 HydrophobicContact CB-CD2 4.42Å; N368-F475 HydrophobicContact CB-CE1 3.59Å; N368-F475 HydrophobicContact CB-CE2 4.18Å; N368-F475 HydrophobicContact CB-CG 4.33Å; N368-F475 HydrophobicContact CB-CZ 3.74Å; M388-F475 HydrophobicContact CB-CE2 4.33Å; M388-F475 HydrophobicContact CB-CZ 3.97Å; M388-F475 HydrophobicContact CE-CE1 3.8Å; M388-F475 HydrophobicContact CE-CZ 3.65Å; M388-F475 HydrophobicContact CG-CE1 4.24Å; M388-F475 HydrophobicContact CG-CE2 4.38Å; M388-F475 HydrophobicContact CG-CZ 3.75Å; E391-F475 HydrophobicContact CB-CD2 4.29Å; E391-F475 HydrophobicContact CB-CE2 4.42Å; E391-F475 HydrophobicContact CG-CD2 3.9Å; E391-F475 HydrophobicContact CG-CE2 4.49Å; E391-F475 WeakPolarHBondContact OE1-CB 3.37Å; E391-F475 WeakPolarHBondContact OE2-CD2 3.42Å; E391-F475 PolarHBondContact OE2-N 2.95Å; I392-F475 HydrophobicContact CD1-CE2 4.12Å; I392-F475 HydrophobicContact CD1-CZ 4.18Å; I392-F475 HydrophobicContact CG1-CE2 3.78Å; I392-F475 HydrophobicContact CG1-CZ 4.32Å; S473-F475 VanDerWaalsContact C-N 3.25Å; S473-F475 PolarHBondContact O-N 3.35Å; F475-T477 HydrophobicContact CB-CG2 4.19Å; F475-T477 PolarHBondContact O-N 3.35Å; F475-T477 VanDerWaalsContact O-N 3.14Å
476H96.4Very high96.4Very high133 Ų13362.8 Ų62.862%0.61632%0.319SS*.  trans57.225.3175.4-54.2-71.1000114.7S473 V478 D479S473-H476 PolarHBondContact O-N 3.18Å; S473-H476 WeakPolarHBondContact OG-CA 3.41Å; S473-H476 PolarHBondContact OG-N 3.24Å; H476-V478 VanDerWaalsContact C-N 3.34Å; H476-V478 PolarHBondContact O-N 3.45Å; H476-D479 WeakPolarHBondContact CA-OD1 3.47Å; H476-D479 IonicContact CE1-OD2 3.46Å; H476-D479 IonicContact CG-OD2 2.68Å; H476-D479 IonicContact ND1-OD2 3.58Å; H476-D479 PolarHBondContact ND1-OD2 3.45Å
477T97.1Very high96.6Very high11 Ų1159 Ų597%0.06730%0.302CS..SBendtrans-78.7-17.2-174.564.30000114.2E391 I395 S473 F475 Y554E391-T477 WeakPolarHBondContact OE1-CB 3.49Å; E391-T477 VanDerWaalsContact OE1-CG2 3.3Å; E391-T477 WeakPolarHBondContact OE1-CG2 3.37Å; E391-T477 PolarHBondContact OE1-OG1 2.96Å; I395-T477 HydrophobicContact CD1-CG2 3.92Å; S473-T477 PolarHBondContact OG-N 3.33Å; F475-T477 HydrophobicContact CB-CG2 4.19Å; F475-T477 PolarHBondContact O-N 3.35Å; F475-T477 VanDerWaalsContact O-N 3.14Å; T477-Y554 WeakPolarHBondContact CB-OH 3.11Å; T477-Y554 PolarHBondContact OG1-OH 3.41Å
478V97.8Very high96.8Very high0 Ų056 Ų560%029%0.286CS..SBendtrans-120.4-4.4-177.8-66.80000113.7Y456 L457 L460 I471 S473 H476 F480 L481 Y554Y456-V478 HydrophobicContact CE1-CG1 4.22Å; L457-V478 HydrophobicContact CD2-CG1 3.59Å; L460-V478 HydrophobicContact CD1-CB 4.34Å; L460-V478 HydrophobicContact CD1-CG1 4.29Å; L460-V478 HydrophobicContact CD1-CG2 3.85Å; I471-V478 HydrophobicContact CG2-CB 4.02Å; I471-V478 HydrophobicContact CG2-CG2 3.96Å; S473-V478 VanDerWaalsContact CB-CG2 3.45Å; S473-V478 VanDerWaalsContact OG-CG2 3.27Å; S473-V478 WeakPolarHBondContact OG-CG2 3.35Å; S473-V478 PolarHBondContact OG-N 3.08Å; H476-V478 VanDerWaalsContact C-N 3.34Å; H476-V478 PolarHBondContact O-N 3.45Å; V478-F480 PolarHBondContact O-N 3.02Å; V478-F480 VanDerWaalsContact O-N 3.09Å; V478-L481 HydrophobicContact CB-CD1 4.12Å; V478-L481 HydrophobicContact CG1-CD1 4.29Å; V478-L481 VanDerWaalsContact O-CB 3.22Å; V478-L481 WeakPolarHBondContact O-CB 3.43Å; V478-L481 WeakPolarHBondContact O-CG 3.32Å; V478-L481 PolarHBondContact O-N 3.34Å; V478-Y554 HydrophobicContact CG1-CD2 4.44Å; V478-Y554 HydrophobicContact CG1-CE2 3.65Å
479D97.8Very high97Very high41 Ų4157.4 Ų57.422%0.21929%0.288CS..G310 helixtrans-58.2-31.8-170.6-68.822.7000113.3I471 Q472 S473 H476 L481 D482I471-D479 WeakPolarHBondContact O-CA 3.35Å; Q472-D479 WeakPolarHBondContact CA-OD1 3.08Å; S473-D479 PolarHBondContact N-OD1 3.35Å; S473-D479 PolarHBondContact OG-OD1 2.91Å; S473-D479 VanDerWaalsContact OG-OD1 3.1Å; H476-D479 WeakPolarHBondContact CA-OD1 3.47Å; H476-D479 IonicContact CE1-OD2 3.46Å; H476-D479 IonicContact CG-OD2 2.68Å; H476-D479 IonicContact ND1-OD2 3.58Å; H476-D479 PolarHBondContact ND1-OD2 3.45Å; D479-L481 PolarHBondContact O-N 2.99Å; D479-D482 WeakPolarHBondContact O-CB 3.33Å; D479-D482 PolarHBondContact O-N 3.06Å
480F97.6Very high97.1Very high27 Ų2756.1 Ų56.112%0.11828%0.282CS..G310 helixtrans-62-25.1176.674.9-86.5000112.8V478 D482 N483 H487 M511 I514 H557V478-F480 PolarHBondContact O-N 3.02Å; V478-F480 VanDerWaalsContact O-N 3.09Å; F480-D482 PolarHBondContact O-N 2.88Å; F480-N483 PolarHBondContact O-N 3.2Å; F480-H487 AromaticContact CD2-NE2 3.84Å; F480-H487 PolarHBondContact O-CD2 3.32Å; F480-H487 PolarHBondContact O-NE2 3.44Å; F480-M511 HydrophobicContact CB-CE 4.33Å; F480-M511 HydrophobicContact CB-SD 4.31Å; F480-M511 HydrophobicContact CD2-CB 3.83Å; F480-M511 HydrophobicContact CD2-CG 3.66Å; F480-M511 HydrophobicContact CD2-SD 4.44Å; F480-M511 HydrophobicContact CE2-CB 4.02Å; F480-M511 HydrophobicContact CE2-CG 4.03Å; F480-M511 HydrophobicContact CG-CG 4.09Å; F480-M511 HydrophobicContact CG-SD 4.49Å; F480-I514 HydrophobicContact CE2-CB 4.28Å; F480-I514 HydrophobicContact CE2-CD1 4.41Å; F480-I514 HydrophobicContact CE2-CG2 4.44Å; F480-I514 HydrophobicContact CZ-CB 4.13Å; F480-I514 HydrophobicContact CZ-CD1 3.72Å; F480-I514 HydrophobicContact CZ-CG2 4.02Å; F480-H557 AromaticContact CD1-CE1 3.79Å; F480-H557 AromaticContact CE1-CE1 3.52Å; F480-H557 AromaticContact CE1-ND1 3.74Å
481L97.9Very high97.1Very high2 Ų257.6 Ų57.61%0.0128%0.281CS..G310 helixtrans-70.6-17.1-179.8-63.7173.2000112.9L457 I471 V478 D479 N483 Y484 I514 L518L457-L481 HydrophobicContact CD2-CD1 4.33Å; I471-L481 HydrophobicContact CD1-CB 4.07Å; I471-L481 HydrophobicContact CG2-CB 4.11Å; V478-L481 HydrophobicContact CB-CD1 4.12Å; V478-L481 HydrophobicContact CG1-CD1 4.29Å; V478-L481 VanDerWaalsContact O-CB 3.22Å; V478-L481 WeakPolarHBondContact O-CB 3.43Å; V478-L481 WeakPolarHBondContact O-CG 3.32Å; V478-L481 PolarHBondContact O-N 3.34Å; D479-L481 PolarHBondContact O-N 2.99Å; L481-N483 PolarHBondContact O-N 3.25Å; L481-N483 VanDerWaalsContact O-N 3.15Å; L481-Y484 WeakPolarHBondContact O-CB 3.41Å; L481-Y484 PolarHBondContact O-N 3.37Å; L481-Y484 VanDerWaalsContact O-N 3.08Å; L481-I514 HydrophobicContact CD1-CG2 4.45Å; L481-I514 HydrophobicContact CD2-CB 4.5Å; L481-I514 HydrophobicContact CD2-CG2 3.82Å; L481-L518 HydrophobicContact CD1-CD2 4.14Å; L481-L518 HydrophobicContact CD2-CD2 4.14Å
482D97.3Very high97.1Very high43 Ų4358.8 Ų58.823%0.2329%0.287CS..G310 helixtrans-59.7-26.9173.7-162.263.1000111.7K464 P470 I471 D479 F480K464-D482 WeakPolarHBondContact CE-OD1 3.31Å; K464-D482 IonicContact NZ-OD1 3.95Å; K464-D482 PolarHBondContact NZ-OD1 3.14Å; K464-D482 IonicContact NZ-OD2 3.62Å; K464-D482 PolarHBondContact NZ-OD2 2.76Å; P470-D482 VanDerWaalsContact CA-OD1 3.3Å; P470-D482 WeakPolarHBondContact CA-OD1 3.49Å; I471-D482 HydrophobicContact CB-CB 4.3Å; I471-D482 PolarHBondContact N-OD1 2.86Å; D479-D482 WeakPolarHBondContact O-CB 3.33Å; D479-D482 PolarHBondContact O-N 3.06Å; F480-D482 PolarHBondContact O-N 2.88Å
483N95.9Very high96.9Very high94 Ų9457.4 Ų57.450%0.50329%0.288SS..G310 helixtrans-104.227.9177.2-65.5-73000113.5F480 L481 L485 K486 H487F480-N483 PolarHBondContact O-N 3.2Å; L481-N483 PolarHBondContact O-N 3.25Å; L481-N483 VanDerWaalsContact O-N 3.15Å; N483-L485 VanDerWaalsContact C-N 3.25Å; N483-L485 PolarHBondContact O-N 2.93Å; N483-L485 VanDerWaalsContact O-N 3.1Å; N483-K486 WeakPolarHBondContact O-CB 3.42Å; N483-K486 PolarHBondContact O-N 3.47Å; N483-H487 PolarHBondContact O-CD2 2.97Å; N483-H487 PolarHBondContact O-N 3.19Å
484Y97.8Very high97Very high34 Ų3457.5 Ų57.513%0.13329%0.288CS..Hα-helixtrans-51.8-36.9-17476.7-81.1000114.6F461 L481 K486 H487 L488 V519F461-Y484 AromaticContact CE2-CD1 3.92Å; F461-Y484 HydrophobicContact CE2-CD1 3.92Å; F461-Y484 HydrophobicContact CE2-CD2 4.2Å; F461-Y484 AromaticContact CE2-CE1 3.78Å; F461-Y484 HydrophobicContact CE2-CE1 3.78Å; F461-Y484 HydrophobicContact CE2-CE2 4.06Å; F461-Y484 HydrophobicContact CE2-CG 4.13Å; F461-Y484 AromaticContact CE2-CZ 3.85Å; F461-Y484 HydrophobicContact CZ-CD2 4.42Å; F461-Y484 HydrophobicContact CZ-CE1 4.44Å; F461-Y484 HydrophobicContact CZ-CE2 4.03Å; L481-Y484 WeakPolarHBondContact O-CB 3.41Å; L481-Y484 PolarHBondContact O-N 3.37Å; L481-Y484 VanDerWaalsContact O-N 3.08Å; Y484-K486 PolarHBondContact O-N 2.92Å; Y484-H487 WeakPolarHBondContact O-CB 3.39Å; Y484-H487 PolarHBondContact O-N 3.49Å; Y484-L488 HydrophobicContact CD2-CD1 4.01Å; Y484-L488 HydrophobicContact CE2-CD1 4.48Å; Y484-L488 WeakPolarHBondContact O-CG 3.35Å; Y484-L488 PolarHBondContact O-N 3.21Å; Y484-V519 HydrophobicContact CD2-CG2 3.88Å; Y484-V519 HydrophobicContact CE2-CG2 3.88Å
485L97.6Very high97Very high102 Ų10261 Ų6153%0.53431%0.309SS..Hα-helixtrans-61-44.1178.4-69173.1000112.3N483 H487 L488 E489N483-L485 VanDerWaalsContact C-N 3.25Å; N483-L485 PolarHBondContact O-N 2.93Å; N483-L485 VanDerWaalsContact O-N 3.1Å; L485-H487 VanDerWaalsContact C-N 3.28Å; L485-H487 PolarHBondContact O-N 2.95Å; L485-L488 PolarHBondContact O-N 3.26Å; L485-L488 VanDerWaalsContact O-N 3.16Å; L485-E489 PolarHBondContact O-N 3.47Å; L485-E489 VanDerWaalsContact O-N 3.16Å
486K97.4Very high97.1Very high151 Ų15162.3 Ų62.366%0.65732%0.32SS*.Hα-helixtrans-63.5-37.6177.3-176-178.5179.5-177.60111.2N483 Y484 E489N483-K486 WeakPolarHBondContact O-CB 3.42Å; N483-K486 PolarHBondContact O-N 3.47Å; Y484-K486 PolarHBondContact O-N 2.92Å; K486-E489 PolarHBondContact O-N 2.97Å
487H97.2Very high97.1Very high35 Ų3557.5 Ų57.516%0.16230%0.299CS..Hα-helixtrans-62.4-47.4174.6-60.7-44.3000110F480 N483 Y484 L485 E489 S490F480-H487 AromaticContact CD2-NE2 3.84Å; F480-H487 PolarHBondContact O-CD2 3.32Å; F480-H487 PolarHBondContact O-NE2 3.44Å; N483-H487 PolarHBondContact O-CD2 2.97Å; N483-H487 PolarHBondContact O-N 3.19Å; Y484-H487 WeakPolarHBondContact O-CB 3.39Å; Y484-H487 PolarHBondContact O-N 3.49Å; L485-H487 VanDerWaalsContact C-N 3.28Å; L485-H487 PolarHBondContact O-N 2.95Å; H487-E489 PolarHBondContact O-N 3.43Å; H487-S490 VanDerWaalsContact O-CB 3.28Å; H487-S490 WeakPolarHBondContact O-CB 3.45Å; H487-S490 PolarHBondContact O-N 3.4Å; H487-S490 PolarHBondContact O-OG 3.03Å
488L98.1Very high97.1Very high48 Ų4863 Ų6325%0.25133%0.325SS..Hα-helixtrans-61.2-27.1-179.4-67.6174.6000114.4Y484 L485 S490 W512 F516 V519Y484-L488 HydrophobicContact CD2-CD1 4.01Å; Y484-L488 HydrophobicContact CE2-CD1 4.48Å; Y484-L488 WeakPolarHBondContact O-CG 3.35Å; Y484-L488 PolarHBondContact O-N 3.21Å; L485-L488 PolarHBondContact O-N 3.26Å; L485-L488 VanDerWaalsContact O-N 3.16Å; L488-S490 VanDerWaalsContact C-N 3.3Å; L488-W512 PolarHBondContact O-NE1 3.05Å; L488-F516 HydrophobicContact CD2-CB 3.85Å; L488-F516 HydrophobicContact CD2-CD2 4.47Å; L488-V519 HydrophobicContact CD1-CG2 4.12Å
489E97.3Very high97.1Very high154 Ų15466 Ų6672%0.7234%0.341SS*.Hα-helixtrans-72.8-21.1173.2-69.4172.2-177.900113.3L485 K486 H487L485-E489 PolarHBondContact O-N 3.47Å; L485-E489 VanDerWaalsContact O-N 3.16Å; K486-E489 PolarHBondContact O-N 2.97Å; H487-E489 PolarHBondContact O-N 3.43Å
490S97.1Very high97Very high44 Ų4464.1 Ų64.131%0.30833%0.331SS..  trans-74.5159.2-179.176.90000112.8H487 L488H487-S490 VanDerWaalsContact O-CB 3.28Å; H487-S490 WeakPolarHBondContact O-CB 3.45Å; H487-S490 PolarHBondContact O-N 3.4Å; H487-S490 PolarHBondContact O-OG 3.03Å; L488-S490 VanDerWaalsContact C-N 3.3Å
491K97.4Very high97Very high100 Ų10064.5 Ų64.544%0.43533%0.333SS..  trans-131.9165.7177.9-60.7-63.8176.4-169.40110.1T493 D603K491-T493 WeakPolarHBondContact O-CG2 3.23Å; K491-T493 PolarHBondContact O-N 3.39Å; K491-D603 WeakPolarHBondContact CD-O 3.32Å; K491-D603 WeakPolarHBondContact CE-O 3.42Å; K491-D603 PolarHBondContact NZ-O 2.93Å
492F97.3Very high97Very high27 Ų2768.5 Ų68.512%0.11835%0.352CS..  trans-61.3123.2173.1-172.8-98.9000110.9A494 V505 Y604 M605 P610 L613 V614F492-A494 HydrophobicContact CE1-CB 3.75Å; F492-A494 WeakPolarHBondContact CE1-O 3.21Å; F492-A494 HydrophobicContact CZ-CB 3.73Å; F492-V505 HydrophobicContact CE2-CG1 3.77Å; F492-V505 HydrophobicContact CZ-CG1 4.23Å; F492-Y604 HydrophobicContact CB-CD1 4.23Å; F492-Y604 HydrophobicContact CB-CE1 3.86Å; F492-Y604 AromaticContact CD2-CE1 3.9Å; F492-Y604 HydrophobicContact CD2-CE1 3.9Å; F492-Y604 HydrophobicContact CG-CE1 4.4Å; F492-Y604 PolarHBondContact N-O 2.96Å; F492-M605 HydrophobicContact CB-CG 3.84Å; F492-M605 HydrophobicContact CD2-CE 3.37Å; F492-M605 HydrophobicContact CD2-CG 4.35Å; F492-M605 HydrophobicContact CE2-CE 3.58Å; F492-M605 HydrophobicContact CG-CE 4.04Å; F492-M605 HydrophobicContact CG-CG 4.15Å; F492-M605 HydrophobicContact CZ-CE 4.39Å; F492-P610 HydrophobicContact CD1-CB 3.63Å; F492-P610 HydrophobicContact CD1-CG 3.9Å; F492-P610 HydrophobicContact CE1-CB 3.86Å; F492-P610 HydrophobicContact CE1-CG 4.45Å; F492-P610 HydrophobicContact CG-CB 4.08Å; F492-P610 HydrophobicContact CG-CG 4.47Å; F492-P610 HydrophobicContact CZ-CB 4.5Å; F492-L613 HydrophobicContact CE1-CD1 4.29Å; F492-V614 HydrophobicContact CE2-CG2 4.39Å; F492-V614 HydrophobicContact CZ-CG2 4.25Å
493T92.3Very high97Very high102 Ų10266.5 Ų66.563%0.62634%0.341SS*.  trans-104.4-21.4-168.452.20000114.7K491 T495K491-T493 WeakPolarHBondContact O-CG2 3.23Å; K491-T493 PolarHBondContact O-N 3.39Å; T493-T495 PolarHBondContact O-N 2.92Å
494A96.7Very high97.1Very high9 Ų965.6 Ų65.67%0.07433%0.334CS..  trans-67.3132.1-176.200000111.4F492 D499 C500 V505 L613F492-A494 HydrophobicContact CE1-CB 3.75Å; F492-A494 WeakPolarHBondContact CE1-O 3.21Å; F492-A494 HydrophobicContact CZ-CB 3.73Å; A494-D499 HydrophobicContact CB-CB 3.83Å; A494-C500 HydrophobicContact CB-CB 3.95Å; A494-V505 HydrophobicContact CB-CG1 4.04Å; A494-V505 HydrophobicContact CB-CG2 4.27Å; A494-L613 VanDerWaalsContact O-CD1 3.3Å; A494-L613 WeakPolarHBondContact O-CD1 3.45Å
495T96.6Very high97Very high99 Ų9964.7 Ų64.761%0.60733%0.332SS*.  trans-111.4-25.5-178.364.70000112.7T493 D499T493-T495 PolarHBondContact O-N 2.92Å; T495-D499 PolarHBondContact N-OD2 2.64Å; T495-D499 PolarHBondContact OG1-OD2 3.14Å
496T98Very high97.1Very high53 Ų5359.9 Ų59.933%0.32531%0.307SS..SBendtrans-118.9170.6178.967.50000111.7E498 D499 C500T496-E498 VanDerWaalsContact C-N 3.3Å; T496-E498 WeakPolarHBondContact CB-OE2 3.35Å; T496-D499 PolarHBondContact N-OD2 2.94Å; T496-D499 PolarHBondContact OG1-N 3.43Å; T496-D499 PolarHBondContact OG1-OD1 2.85Å; T496-D499 PolarHBondContact OG1-OD2 3.44Å; T496-D499 VanDerWaalsContact OG1-OD2 3.08Å; T496-C500 WeakPolarHBondContact O-CB 3.48Å; T496-C500 PolarHBondContact O-N 3.23Å
497V97.6Very high97.1Very high31 Ų3153.1 Ų53.119%0.18828%0.277CS..Hα-helixtrans-67-39.3173.5166.60000109.5C500 M501 L613 L616 T617 R620V497-C500 CarbonylContact O-C 3.55Å; V497-C500 WeakPolarHBondContact O-CB 3.4Å; V497-C500 PolarHBondContact O-N 2.73Å; V497-C500 VanDerWaalsContact O-N 3.15Å; V497-M501 HydrophobicContact CG1-SD 4.37Å; V497-M501 WeakPolarHBondContact O-CG 3.45Å; V497-M501 PolarHBondContact O-N 3.15Å; V497-L613 HydrophobicContact CG2-CD2 4.29Å; V497-L616 HydrophobicContact CG2-CB 4.13Å; V497-T617 HydrophobicContact CG1-CG2 4.42Å; V497-T617 PolarHBondContact O-OG1 3.01Å; V497-R620 HydrophobicContact CG1-CB 4.27Å; V497-R620 HydrophobicContact CG1-CG 4.29Å
498E97.3Very high97.1Very high128 Ų12853.3 Ų53.360%0.59829%0.285SS*.Hα-helixtrans-62.2-47.3179.2-65.569.8-157.800111.4T496 C500 M501T496-E498 VanDerWaalsContact C-N 3.3Å; T496-E498 WeakPolarHBondContact CB-OE2 3.35Å; E498-C500 PolarHBondContact O-N 2.89Å; E498-M501 WeakPolarHBondContact O-CB 3.43Å; E498-M501 PolarHBondContact O-N 3.22Å; E498-M501 VanDerWaalsContact O-N 3.13Å
499D96.8Very high97.2Very high63 Ų6351 Ų5134%0.33727%0.273SS..Hα-helixtrans-55.9-44.2173.6-59.1-23.4000110.4A494 T495 T496 M501 E502 V505A494-D499 HydrophobicContact CB-CB 3.83Å; T495-D499 PolarHBondContact N-OD2 2.64Å; T495-D499 PolarHBondContact OG1-OD2 3.14Å; T496-D499 PolarHBondContact N-OD2 2.94Å; T496-D499 PolarHBondContact OG1-N 3.43Å; T496-D499 PolarHBondContact OG1-OD1 2.85Å; T496-D499 PolarHBondContact OG1-OD2 3.44Å; T496-D499 VanDerWaalsContact OG1-OD2 3.08Å; D499-M501 PolarHBondContact O-N 3.41Å; D499-E502 WeakPolarHBondContact O-CB 3.21Å; D499-E502 PolarHBondContact O-N 3.24Å; D499-E502 VanDerWaalsContact O-N 3.15Å; D499-V505 VanDerWaalsContact O-CG2 3.24Å; D499-V505 WeakPolarHBondContact O-CG2 3.38Å
500C96.9Very high97.2Very high1 Ų143.7 Ų43.71%0.00724%0.239CC..Hα-helixtrans-70.4-20.2-175.5-165.30000112.6A494 T496 V497 E498 E502 L589 T617A494-C500 HydrophobicContact CB-CB 3.95Å; T496-C500 WeakPolarHBondContact O-CB 3.48Å; T496-C500 PolarHBondContact O-N 3.23Å; V497-C500 CarbonylContact O-C 3.55Å; V497-C500 WeakPolarHBondContact O-CB 3.4Å; V497-C500 PolarHBondContact O-N 2.73Å; V497-C500 VanDerWaalsContact O-N 3.15Å; E498-C500 PolarHBondContact O-N 2.89Å; C500-E502 VanDerWaalsContact C-N 3.25Å; C500-L589 WeakPolarHBondContact O-CD1 3.43Å; C500-T617 HydrophobicContact CB-CG2 4.21Å; C500-T617 WeakPolarHBondContact CB-OG1 3.28Å
501M97.3Very high97.3Very high34 Ų3443.4 Ų43.417%0.16723%0.233CC..THydrogen-bonded Turntrans-74.4-12.7173.6-70.8174.574.200112.9V497 E498 D499 P503 A585 T617 R620 L621V497-M501 HydrophobicContact CG1-SD 4.37Å; V497-M501 WeakPolarHBondContact O-CG 3.45Å; V497-M501 PolarHBondContact O-N 3.15Å; E498-M501 WeakPolarHBondContact O-CB 3.43Å; E498-M501 PolarHBondContact O-N 3.22Å; E498-M501 VanDerWaalsContact O-N 3.13Å; D499-M501 PolarHBondContact O-N 3.41Å; M501-P503 WeakPolarHBondContact O-CD 3.49Å; M501-A585 WeakPolarHBondContact O-CB 3.22Å; M501-T617 HydrophobicContact CB-CG2 4.33Å; M501-T617 HydrophobicContact CG-CG2 3.41Å; M501-T617 VanDerWaalsContact CG-CG2 3.41Å; M501-R620 HydrophobicContact SD-CG 4.36Å; M501-L621 HydrophobicContact CE-CD2 3.53Å; M501-L621 HydrophobicContact CE-CG 4.15Å; M501-L621 HydrophobicContact CG-CD1 4.5Å; M501-L621 HydrophobicContact CG-CD2 4.37Å; M501-L621 HydrophobicContact CG-CG 4.33Å
502E97.5Very high97.4Very high87 Ų8738.8 Ų38.841%0.40721%0.213SC..SBendtrans-74.1120.6175-62.5-55.9146.100110.2D499 C500 E504 V505 R581D499-E502 WeakPolarHBondContact O-CB 3.21Å; D499-E502 PolarHBondContact O-N 3.24Å; D499-E502 VanDerWaalsContact O-N 3.15Å; C500-E502 VanDerWaalsContact C-N 3.25Å; E502-E504 PolarHBondContact O-N 3.02Å; E502-V505 HydrophobicContact CB-CG2 4.48Å; E502-V505 WeakPolarHBondContact O-CB 3.19Å; E502-V505 PolarHBondContact O-N 2.93Å; E502-R581 IonicContact OE2-CZ 2.84Å; E502-R581 IonicContact OE2-NH2 2.73Å; E502-R581 PolarHBondContact OE2-NH2 3.34Å
503P96.8Very high97.4Very high1 Ų137.5 Ų37.51%0.00621%0.208CC..Hα-helixtrans-54.9-29.4-177.2-27.334.7000114.2M501 V505 S506 L507 C584 A585M501-P503 WeakPolarHBondContact O-CD 3.49Å; P503-V505 PolarHBondContact O-N 3.13Å; P503-S506 PolarHBondContact O-N 3.23Å; P503-S506 VanDerWaalsContact O-N 3.08Å; P503-S506 PolarHBondContact O-OG 2.65Å; P503-L507 PolarHBondContact O-N 3.37Å; P503-C584 HydrophobicContact CB-CB 4.42Å; P503-C584 HydrophobicContact CG-CB 4.01Å; P503-A585 HydrophobicContact CG-CB 4.31Å
504E97.4Very high97.7Very high75 Ų7532.7 Ų32.735%0.3518%0.178SC..Hα-helixtrans-54.5-32.3175.7-67.179.8-17900112.5E502 L507 A508 H564 R581E502-E504 PolarHBondContact O-N 3.02Å; E504-L507 PolarHBondContact O-N 3.48Å; E504-A508 WeakPolarHBondContact O-CB 3.47Å; E504-A508 PolarHBondContact O-N 3.44Å; E504-H564 VanDerWaalsContact CD-NE2 3.28Å; E504-H564 IonicContact OE1-CD2 2.7Å; E504-H564 IonicContact OE1-CE1 3.17Å; E504-H564 IonicContact OE1-NE2 2.89Å; E504-H564 PolarHBondContact OE1-NE2 3.13Å; E504-H564 IonicContact OE2-NE2 3.75Å; E504-R581 IonicContact OE1-NH2 3.83Å; E504-R581 IonicContact OE2-NH2 3.29Å; E504-R581 PolarHBondContact OE2-NH2 3.21Å
505V97.7Very high97.8Very high15 Ų1532.2 Ų32.29%0.09117%0.174CC..Hα-helixtrans-63.8-47.9175.8173.80000110.9F492 A494 D499 E502 P503 A508 A509F492-V505 HydrophobicContact CE2-CG1 3.77Å; F492-V505 HydrophobicContact CZ-CG1 4.23Å; A494-V505 HydrophobicContact CB-CG1 4.04Å; A494-V505 HydrophobicContact CB-CG2 4.27Å; D499-V505 VanDerWaalsContact O-CG2 3.24Å; D499-V505 WeakPolarHBondContact O-CG2 3.38Å; E502-V505 HydrophobicContact CB-CG2 4.48Å; E502-V505 WeakPolarHBondContact O-CB 3.19Å; E502-V505 PolarHBondContact O-N 2.93Å; P503-V505 PolarHBondContact O-N 3.13Å; V505-A508 PolarHBondContact O-N 3.23Å; V505-A509 PolarHBondContact O-N 2.72Å; V505-A509 VanDerWaalsContact O-N 3.12Å
506S97.8Very high97.9Very high1 Ų129 Ų291%0.00715%0.152CC..Hα-helixtrans-68.6-36.2178.2610000112.2P503 A509 Y510 L560P503-S506 PolarHBondContact O-N 3.23Å; P503-S506 VanDerWaalsContact O-N 3.08Å; P503-S506 PolarHBondContact O-OG 2.65Å; S506-A509 PolarHBondContact O-N 2.8Å; S506-Y510 VanDerWaalsContact O-CD2 3.27Å; S506-Y510 WeakPolarHBondContact O-CD2 3.34Å; S506-Y510 PolarHBondContact O-N 3.42Å; S506-L560 WeakPolarHBondContact OG-CD2 3.23Å
507L98.2Very high98Very high8 Ų826.7 Ų26.74%0.04214%0.138CC..Hα-helixtrans-62.1-47.7174.2-77.1167.9000112.2P503 E504 A509 Y510 M511 L560 Q561 H564P503-L507 PolarHBondContact O-N 3.37Å; E504-L507 PolarHBondContact O-N 3.48Å; L507-A509 VanDerWaalsContact C-N 3.29Å; L507-A509 PolarHBondContact O-N 3.01Å; L507-Y510 PolarHBondContact O-N 3.44Å; L507-Y510 VanDerWaalsContact O-N 3.14Å; L507-M511 WeakPolarHBondContact O-CG 3.33Å; L507-M511 PolarHBondContact O-N 3.02Å; L507-L560 HydrophobicContact CD2-CB 4.3Å; L507-L560 HydrophobicContact CD2-CD2 3.81Å; L507-L560 HydrophobicContact CD2-CG 3.75Å; L507-L560 HydrophobicContact CG-CD2 3.95Å; L507-L560 HydrophobicContact CG-CG 4.08Å; L507-Q561 HydrophobicContact CD2-CB 4.04Å; L507-H564 HydrophobicContact CD1-CB 3.74Å; L507-H564 VanDerWaalsContact CD1-CG 3.46Å; L507-H564 WeakPolarHBondContact CD1-ND1 3.34Å
508A98.3Very high98Very high39 Ų3925.3 Ų25.332%0.32213%0.129SC..Hα-helixtrans-59.9-41.317700000111.7E504 V505 Y510 M511 W512E504-A508 WeakPolarHBondContact O-CB 3.47Å; E504-A508 PolarHBondContact O-N 3.44Å; V505-A508 PolarHBondContact O-N 3.23Å; A508-Y510 VanDerWaalsContact C-N 3.35Å; A508-Y510 PolarHBondContact O-N 3.33Å; A508-M511 PolarHBondContact O-N 2.93Å; A508-W512 PolarHBondContact O-N 3.06Å
509A98.5Very high98.1Very high0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-62.9-39.7175.400000112.5V505 S506 L507 W512 L513 L592 Y604V505-A509 PolarHBondContact O-N 2.72Å; V505-A509 VanDerWaalsContact O-N 3.12Å; S506-A509 PolarHBondContact O-N 2.8Å; L507-A509 VanDerWaalsContact C-N 3.29Å; L507-A509 PolarHBondContact O-N 3.01Å; A509-W512 PolarHBondContact O-N 3.04Å; A509-L513 WeakPolarHBondContact O-CB 3.47Å; A509-L513 PolarHBondContact O-N 2.89Å; A509-L592 HydrophobicContact CB-CD1 4.08Å; A509-L592 HydrophobicContact CB-CD2 3.56Å; A509-L592 HydrophobicContact CB-CG 4.47Å; A509-Y604 HydrophobicContact CB-CD1 4.49Å; A509-Y604 HydrophobicContact CB-CE1 3.55Å; A509-Y604 PolarHBondContact N-OH 3.25Å
510Y98.7Very high98.1Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-67.3-42.9174.3-90.4-67.9000112.8S506 L507 A508 W512 L513 I514 E556 H557 L560 S591 L592S506-Y510 VanDerWaalsContact O-CD2 3.27Å; S506-Y510 WeakPolarHBondContact O-CD2 3.34Å; S506-Y510 PolarHBondContact O-N 3.42Å; L507-Y510 PolarHBondContact O-N 3.44Å; L507-Y510 VanDerWaalsContact O-N 3.14Å; A508-Y510 VanDerWaalsContact C-N 3.35Å; A508-Y510 PolarHBondContact O-N 3.33Å; Y510-W512 VanDerWaalsContact C-N 3.28Å; Y510-W512 PolarHBondContact O-N 3.43Å; Y510-L513 HydrophobicContact CD1-CD2 4.43Å; Y510-L513 PolarHBondContact O-N 3.47Å; Y510-L513 VanDerWaalsContact O-N 3.15Å; Y510-I514 WeakPolarHBondContact O-CB 3.38Å; Y510-I514 WeakPolarHBondContact O-CD1 3.34Å; Y510-I514 VanDerWaalsContact O-CG1 3.24Å; Y510-I514 WeakPolarHBondContact O-CG1 3.23Å; Y510-I514 PolarHBondContact O-N 3.02Å; Y510-E556 HydrophobicContact CE1-CB 3.77Å; Y510-E556 VanDerWaalsContact CE1-OE2 3.3Å; Y510-E556 WeakPolarHBondContact CE1-OE2 3.13Å; Y510-E556 PolarHBondContact OH-OE2 2.99Å; Y510-H557 HydrophobicContact CD1-CB 4.21Å; Y510-H557 HydrophobicContact CG-CB 4.15Å; Y510-L560 HydrophobicContact CD2-CD2 3.78Å; Y510-L560 HydrophobicContact CE2-CD2 4.03Å; Y510-S591 VanDerWaalsContact OH-CB 3.3Å; Y510-S591 WeakPolarHBondContact OH-CB 3.28Å; Y510-S591 PolarHBondContact OH-OG 3.46Å; Y510-L592 HydrophobicContact CD1-CD1 4.36Å; Y510-L592 HydrophobicContact CD2-CD1 4.07Å; Y510-L592 HydrophobicContact CE1-CD1 4.25Å; Y510-L592 HydrophobicContact CE2-CB 4Å; Y510-L592 HydrophobicContact CE2-CD1 3.94Å; Y510-L592 HydrophobicContact CG-CD1 4.27Å; Y510-L592 PolarHBondContact OH-N 3.47Å
511M98.6Very high98.2Very high39 Ų3919.8 Ų19.819%0.19210%0.104CC..Hα-helixtrans-58.9-42.7175.6-69-179.9-179.700111.1F480 L507 A508 S515F480-M511 HydrophobicContact CB-CE 4.33Å; F480-M511 HydrophobicContact CB-SD 4.31Å; F480-M511 HydrophobicContact CD2-CB 3.83Å; F480-M511 HydrophobicContact CD2-CG 3.66Å; F480-M511 HydrophobicContact CD2-SD 4.44Å; F480-M511 HydrophobicContact CE2-CB 4.02Å; F480-M511 HydrophobicContact CE2-CG 4.03Å; F480-M511 HydrophobicContact CG-CG 4.09Å; F480-M511 HydrophobicContact CG-SD 4.49Å; L507-M511 WeakPolarHBondContact O-CG 3.33Å; L507-M511 PolarHBondContact O-N 3.02Å; A508-M511 PolarHBondContact O-N 2.93Å; M511-S515 WeakPolarHBondContact O-CB 3.42Å; M511-S515 PolarHBondContact O-N 2.9Å; M511-S515 VanDerWaalsContact O-N 3.16Å; M511-S515 PolarHBondContact O-OG 3.17Å
512W98.8Very high98.2Very high3 Ų318.8 Ų18.81%0.01110%0.099CC..Hα-helixtrans-61.8-49.8172.3-178.6104.1000111.5L488 A508 A509 Y510 I514 S515 F516 L599 G602 Y604L488-W512 PolarHBondContact O-NE1 3.05Å; A508-W512 PolarHBondContact O-N 3.06Å; A509-W512 PolarHBondContact O-N 3.04Å; Y510-W512 VanDerWaalsContact C-N 3.28Å; Y510-W512 PolarHBondContact O-N 3.43Å; W512-I514 PolarHBondContact O-N 3.15Å; W512-S515 WeakPolarHBondContact O-CB 3.46Å; W512-S515 PolarHBondContact O-N 3.32Å; W512-F516 HydrophobicContact CD2-CB 4.49Å; W512-F516 HydrophobicContact CE3-CB 4.25Å; W512-F516 HydrophobicContact CH2-CB 3.72Å; W512-F516 HydrophobicContact CH2-CD1 4.04Å; W512-F516 AromaticContact CH2-CD2 3.77Å; W512-F516 HydrophobicContact CH2-CD2 3.77Å; W512-F516 HydrophobicContact CH2-CE2 4.41Å; W512-F516 AromaticContact CH2-CG 3.56Å; W512-F516 HydrophobicContact CH2-CG 3.56Å; W512-F516 HydrophobicContact CZ2-CB 4Å; W512-F516 AromaticContact CZ2-CD2 3.92Å; W512-F516 HydrophobicContact CZ2-CD2 3.92Å; W512-F516 HydrophobicContact CZ2-CG 4.04Å; W512-F516 HydrophobicContact CZ3-CB 3.86Å; W512-F516 HydrophobicContact CZ3-CD1 4.3Å; W512-F516 HydrophobicContact CZ3-CG 4.03Å; W512-F516 WeakPolarHBondContact O-CB 3.41Å; W512-F516 PolarHBondContact O-N 2.77Å; W512-L599 HydrophobicContact CE3-CD2 3.66Å; W512-L599 HydrophobicContact CZ3-CD2 3.8Å; W512-G602 WeakPolarHBondContact CZ2-O 3.44Å; W512-Y604 HydrophobicContact CB-CD2 3.87Å; W512-Y604 HydrophobicContact CB-CE2 3.9Å; W512-Y604 HydrophobicContact CB-CG 4.48Å; W512-Y604 AromaticContact CD1-CD2 3.32Å; W512-Y604 AromaticContact CD1-CE2 3.96Å; W512-Y604 AromaticContact CD2-CD2 3.65Å; W512-Y604 HydrophobicContact CD2-CD2 3.65Å; W512-Y604 AromaticContact CD2-CG 3.7Å; W512-Y604 HydrophobicContact CD2-CG 3.7Å; W512-Y604 HydrophobicContact CE3-CD1 4.49Å; W512-Y604 HydrophobicContact CE3-CD2 4.28Å; W512-Y604 AromaticContact CE3-CG 3.88Å; W512-Y604 HydrophobicContact CE3-CG 3.88Å; W512-Y604 AromaticContact CG-CD2 3.34Å; W512-Y604 HydrophobicContact CG-CD2 3.34Å; W512-Y604 AromaticContact CG-CE2 3.88Å; W512-Y604 HydrophobicContact CG-CE2 3.88Å; W512-Y604 AromaticContact CG-CG 3.89Å; W512-Y604 HydrophobicContact CG-CG 3.89Å; W512-Y604 HydrophobicContact CZ3-CG 4.49Å; W512-Y604 AromaticContact NE1-CD2 3.79Å
513L98.8Very high98.2Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-62.9-43.4-174.3178.359.4000112.6A509 Y510 F516 L517 T553 L592 H595 T598 L599A509-L513 WeakPolarHBondContact O-CB 3.47Å; A509-L513 PolarHBondContact O-N 2.89Å; Y510-L513 HydrophobicContact CD1-CD2 4.43Å; Y510-L513 PolarHBondContact O-N 3.47Å; Y510-L513 VanDerWaalsContact O-N 3.15Å; L513-F516 PolarHBondContact O-N 3.39Å; L513-L517 HydrophobicContact CD1-CD1 3.86Å; L513-L517 HydrophobicContact CD1-CG 4.16Å; L513-L517 HydrophobicContact CG-CD1 3.98Å; L513-L517 WeakPolarHBondContact O-CB 3.36Å; L513-L517 WeakPolarHBondContact O-CG 3.4Å; L513-L517 PolarHBondContact O-N 2.88Å; L513-T553 HydrophobicContact CD2-CG2 3.53Å; L513-T553 HydrophobicContact CG-CG2 3.98Å; L513-L592 HydrophobicContact CD2-CD1 4.32Å; L513-H595 HydrophobicContact CD2-CB 3.59Å; L513-T598 HydrophobicContact CD1-CG2 3.61Å; L513-L599 HydrophobicContact CB-CD2 3.92Å; L513-L599 HydrophobicContact CD1-CD2 4.09Å; L513-L599 HydrophobicContact CD2-CD2 4.34Å; L513-L599 HydrophobicContact CG-CD2 4.34Å
514I98.8Very high98.2Very high0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-66.4-43.2176.8-61.7161.7000109.5F480 L481 Y510 W512 F516 L517 L518 L550 H557F480-I514 HydrophobicContact CE2-CB 4.28Å; F480-I514 HydrophobicContact CE2-CD1 4.41Å; F480-I514 HydrophobicContact CE2-CG2 4.44Å; F480-I514 HydrophobicContact CZ-CB 4.13Å; F480-I514 HydrophobicContact CZ-CD1 3.72Å; F480-I514 HydrophobicContact CZ-CG2 4.02Å; L481-I514 HydrophobicContact CD1-CG2 4.45Å; L481-I514 HydrophobicContact CD2-CB 4.5Å; L481-I514 HydrophobicContact CD2-CG2 3.82Å; Y510-I514 WeakPolarHBondContact O-CB 3.38Å; Y510-I514 WeakPolarHBondContact O-CD1 3.34Å; Y510-I514 VanDerWaalsContact O-CG1 3.24Å; Y510-I514 WeakPolarHBondContact O-CG1 3.23Å; Y510-I514 PolarHBondContact O-N 3.02Å; W512-I514 PolarHBondContact O-N 3.15Å; I514-F516 VanDerWaalsContact C-N 3.31Å; I514-F516 PolarHBondContact O-N 2.74Å; I514-L517 PolarHBondContact O-N 3.16Å; I514-L518 WeakPolarHBondContact O-CB 3.49Å; I514-L518 PolarHBondContact O-N 2.87Å; I514-L550 HydrophobicContact CG2-CD1 3.77Å; I514-H557 HydrophobicContact CD1-CB 3.48Å; I514-H557 VanDerWaalsContact CD1-CB 3.48Å
515S98.7Very high98.1Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-58.1-44.5175.4-580000111.7M511 W512 L518 V519M511-S515 WeakPolarHBondContact O-CB 3.42Å; M511-S515 PolarHBondContact O-N 2.9Å; M511-S515 VanDerWaalsContact O-N 3.16Å; M511-S515 PolarHBondContact O-OG 3.17Å; W512-S515 WeakPolarHBondContact O-CB 3.46Å; W512-S515 PolarHBondContact O-N 3.32Å; S515-L518 PolarHBondContact O-N 3.17Å; S515-V519 WeakPolarHBondContact O-CG2 3.41Å; S515-V519 PolarHBondContact O-N 3.49Å
516F98.8Very high98Very high31 Ų3124.4 Ų24.414%0.13612%0.118CC..Hα-helixtrans-63.4-50.7177.5176.3-99.3000111.8L488 W512 L513 I514 L518 V519 E520 T598L488-F516 HydrophobicContact CD2-CB 3.85Å; L488-F516 HydrophobicContact CD2-CD2 4.47Å; W512-F516 HydrophobicContact CD2-CB 4.49Å; W512-F516 HydrophobicContact CE3-CB 4.25Å; W512-F516 HydrophobicContact CH2-CB 3.72Å; W512-F516 HydrophobicContact CH2-CD1 4.04Å; W512-F516 AromaticContact CH2-CD2 3.77Å; W512-F516 HydrophobicContact CH2-CD2 3.77Å; W512-F516 HydrophobicContact CH2-CE2 4.41Å; W512-F516 AromaticContact CH2-CG 3.56Å; W512-F516 HydrophobicContact CH2-CG 3.56Å; W512-F516 HydrophobicContact CZ2-CB 4Å; W512-F516 AromaticContact CZ2-CD2 3.92Å; W512-F516 HydrophobicContact CZ2-CD2 3.92Å; W512-F516 HydrophobicContact CZ2-CG 4.04Å; W512-F516 HydrophobicContact CZ3-CB 3.86Å; W512-F516 HydrophobicContact CZ3-CD1 4.3Å; W512-F516 HydrophobicContact CZ3-CG 4.03Å; W512-F516 WeakPolarHBondContact O-CB 3.41Å; W512-F516 PolarHBondContact O-N 2.77Å; L513-F516 PolarHBondContact O-N 3.39Å; I514-F516 VanDerWaalsContact C-N 3.31Å; I514-F516 PolarHBondContact O-N 2.74Å; F516-L518 VanDerWaalsContact C-N 3.27Å; F516-L518 PolarHBondContact O-N 2.97Å; F516-V519 PolarHBondContact O-N 2.87Å; F516-E520 HydrophobicContact CD1-CG 4.39Å; F516-E520 HydrophobicContact CD2-CG 4.45Å; F516-E520 HydrophobicContact CE1-CG 3.97Å; F516-E520 HydrophobicContact CE2-CG 4.02Å; F516-E520 HydrophobicContact CZ-CG 3.77Å; F516-E520 WeakPolarHBondContact O-CB 3.22Å; F516-E520 WeakPolarHBondContact O-CG 3.26Å; F516-E520 PolarHBondContact O-N 3.08Å; F516-T598 HydrophobicContact CD1-CG2 3.97Å; F516-T598 HydrophobicContact CE1-CG2 3.84Å
517L98.6Very high98Very high5 Ų527.5 Ų27.53%0.02613%0.132CC..Hα-helixtrans-65.4-30.3179.6-74.9171.2000112.6L513 I514 S521 L550 T553 T598L513-L517 HydrophobicContact CD1-CD1 3.86Å; L513-L517 HydrophobicContact CD1-CG 4.16Å; L513-L517 HydrophobicContact CG-CD1 3.98Å; L513-L517 WeakPolarHBondContact O-CB 3.36Å; L513-L517 WeakPolarHBondContact O-CG 3.4Å; L513-L517 PolarHBondContact O-N 2.88Å; I514-L517 PolarHBondContact O-N 3.16Å; L517-S521 WeakPolarHBondContact O-CB 3.07Å; L517-S521 PolarHBondContact O-N 2.89Å; L517-S521 PolarHBondContact O-OG 3.44Å; L517-L550 HydrophobicContact CB-CB 4.11Å; L517-L550 HydrophobicContact CB-CD1 4.01Å; L517-T553 HydrophobicContact CD1-CG2 3.77Å; L517-T553 WeakPolarHBondContact CD1-OG1 3.22Å; L517-T598 HydrophobicContact CD2-CG2 4.05Å; L517-T598 HydrophobicContact CG-CG2 4.41Å
518L98.5Very high97.9Very high1 Ų127.6 Ų27.61%0.00513%0.133CC..Hα-helixtrans-65.7-50.2176.1-175.765.3000110.8L457 L458 F461 L481 I514 S515 F516 S521 Q522 L550L457-L518 HydrophobicContact CB-CD1 4.18Å; L458-L518 HydrophobicContact CD2-CD1 4.09Å; F461-L518 HydrophobicContact CB-CD1 3.94Å; F461-L518 HydrophobicContact CB-CD2 3.96Å; F461-L518 HydrophobicContact CB-CG 4.06Å; F461-L518 HydrophobicContact CD1-CD1 4.39Å; F461-L518 HydrophobicContact CD1-CD2 4.37Å; F461-L518 HydrophobicContact CD1-CG 3.95Å; F461-L518 HydrophobicContact CD2-CD2 3.53Å; F461-L518 HydrophobicContact CD2-CG 4.03Å; F461-L518 HydrophobicContact CE1-CG 4.38Å; F461-L518 HydrophobicContact CE2-CD2 4.09Å; F461-L518 HydrophobicContact CE2-CG 4.48Å; F461-L518 HydrophobicContact CG-CD1 4.16Å; F461-L518 HydrophobicContact CG-CD2 3.71Å; F461-L518 HydrophobicContact CG-CG 3.75Å; L481-L518 HydrophobicContact CD1-CD2 4.14Å; L481-L518 HydrophobicContact CD2-CD2 4.14Å; I514-L518 WeakPolarHBondContact O-CB 3.49Å; I514-L518 PolarHBondContact O-N 2.87Å; S515-L518 PolarHBondContact O-N 3.17Å; F516-L518 VanDerWaalsContact C-N 3.27Å; F516-L518 PolarHBondContact O-N 2.97Å; L518-S521 PolarHBondContact O-N 3.43Å; L518-Q522 WeakPolarHBondContact O-CB 3.37Å; L518-Q522 PolarHBondContact O-N 3.45Å; L518-L550 HydrophobicContact CB-CD1 4.1Å; L518-L550 HydrophobicContact CD1-CD2 3.82Å
519V98.3Very high97.7Very high46 Ų4628.9 Ų28.928%0.27914%0.139SC..Hα-helixtrans-61.9-46.4176172.50000111F461 Y484 L488 S515 F516 S521 Q522 R523F461-V519 HydrophobicContact CE1-CG2 4.43Å; F461-V519 HydrophobicContact CZ-CG2 3.93Å; Y484-V519 HydrophobicContact CD2-CG2 3.88Å; Y484-V519 HydrophobicContact CE2-CG2 3.88Å; L488-V519 HydrophobicContact CD1-CG2 4.12Å; S515-V519 WeakPolarHBondContact O-CG2 3.41Å; S515-V519 PolarHBondContact O-N 3.49Å; F516-V519 PolarHBondContact O-N 2.87Å; V519-S521 VanDerWaalsContact C-N 3.34Å; V519-S521 PolarHBondContact O-N 3.02Å; V519-Q522 PolarHBondContact O-N 3.31Å; V519-R523 WeakPolarHBondContact O-CB 3.25Å; V519-R523 PolarHBondContact O-N 3.23Å
520E98.3Very high97.5Very high30 Ų3033.1 Ų33.114%0.1417%0.174CC..Hα-helixtrans-65.2-37179.8-78.6-63.2110.200112.7F516 R523 R524 Y546F516-E520 HydrophobicContact CD1-CG 4.39Å; F516-E520 HydrophobicContact CD2-CG 4.45Å; F516-E520 HydrophobicContact CE1-CG 3.97Å; F516-E520 HydrophobicContact CE2-CG 4.02Å; F516-E520 HydrophobicContact CZ-CG 3.77Å; F516-E520 WeakPolarHBondContact O-CB 3.22Å; F516-E520 WeakPolarHBondContact O-CG 3.26Å; F516-E520 PolarHBondContact O-N 3.08Å; E520-R523 IonicContact OE1-CZ 3.23Å; E520-R523 IonicContact OE1-NE 3.35Å; E520-R523 PolarHBondContact OE1-NE 3.15Å; E520-R523 IonicContact OE1-NH2 2.85Å; E520-R523 IonicContact OE2-CZ 2.88Å; E520-R523 IonicContact OE2-NE 3.52Å; E520-R523 PolarHBondContact OE2-NE 2.95Å; E520-R523 IonicContact OE2-NH2 2.85Å; E520-R523 PolarHBondContact OE2-NH2 3.43Å; E520-R524 VanDerWaalsContact O-CB 3.31Å; E520-R524 WeakPolarHBondContact O-CB 3.28Å; E520-R524 PolarHBondContact O-N 2.95Å; E520-Y546 HydrophobicContact CB-CD1 4.12Å; E520-Y546 HydrophobicContact CB-CE1 4.35Å
521S98.3Very high97.4Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-67.6-42.8175.8-61.20000111.8L517 L518 V519 R524 L525 Y546 C547L517-S521 WeakPolarHBondContact O-CB 3.07Å; L517-S521 PolarHBondContact O-N 2.89Å; L517-S521 PolarHBondContact O-OG 3.44Å; L518-S521 PolarHBondContact O-N 3.43Å; V519-S521 VanDerWaalsContact C-N 3.34Å; V519-S521 PolarHBondContact O-N 3.02Å; S521-R524 PolarHBondContact O-N 3.42Å; S521-L525 PolarHBondContact O-N 3.5Å; S521-Y546 VanDerWaalsContact OG-C 3.23Å; S521-C547 PolarHBondContact OG-N 3.23Å
522Q97.4Very high97.3Very high13 Ų1340.8 Ų40.86%0.06123%0.231CC..Hα-helixtrans-61.8-48.5175179.560.729.700111L458 F461 L465 L518 V519 R524 L525 E526L458-Q522 HydrophobicContact CD2-CB 4.06Å; F461-Q522 HydrophobicContact CD1-CB 4.01Å; F461-Q522 HydrophobicContact CD1-CG 4.1Å; F461-Q522 HydrophobicContact CE1-CB 3.95Å; F461-Q522 HydrophobicContact CE1-CG 4.04Å; L465-Q522 HydrophobicContact CD1-CG 4.36Å; L518-Q522 WeakPolarHBondContact O-CB 3.37Å; L518-Q522 PolarHBondContact O-N 3.45Å; V519-Q522 PolarHBondContact O-N 3.31Å; Q522-R524 VanDerWaalsContact C-N 3.3Å; Q522-R524 PolarHBondContact O-N 3.25Å; Q522-L525 WeakPolarHBondContact O-CB 3.44Å; Q522-L525 PolarHBondContact O-N 3.37Å; Q522-L525 VanDerWaalsContact O-N 3.14Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.38Å; Q522-E526 PolarHBondContact NE2-OE1 3.23Å; Q522-E526 WeakPolarHBondContact O-CG 3.48Å; Q522-E526 PolarHBondContact O-N 3.48Å
523R97Very high97.1Very high100 Ų10041.7 Ų41.738%0.37724%0.238SC..Hα-helixtrans-58.1-42176.7-174-179.172.890.66.6111.9V519 E520 E526 Q527V519-R523 WeakPolarHBondContact O-CB 3.25Å; V519-R523 PolarHBondContact O-N 3.23Å; E520-R523 IonicContact OE1-CZ 3.23Å; E520-R523 IonicContact OE1-NE 3.35Å; E520-R523 PolarHBondContact OE1-NE 3.15Å; E520-R523 IonicContact OE1-NH2 2.85Å; E520-R523 IonicContact OE2-CZ 2.88Å; E520-R523 IonicContact OE2-NE 3.52Å; E520-R523 PolarHBondContact OE2-NE 2.95Å; E520-R523 IonicContact OE2-NH2 2.85Å; E520-R523 PolarHBondContact OE2-NH2 3.43Å; R523-E526 PolarHBondContact O-N 2.91Å; R523-Q527 VanDerWaalsContact O-CG 3.27Å; R523-Q527 WeakPolarHBondContact O-CG 3.46Å; R523-Q527 PolarHBondContact O-N 3.37Å
524R97.3Very high96.9Very high67 Ų6745.5 Ų45.525%0.25326%0.259SS..Hα-helixtrans-64.6-41.7177.6-179.661.1-179.6176.1-1.6111.6E520 S521 Q522 Q527 Q528 N541 Y546E520-R524 VanDerWaalsContact O-CB 3.31Å; E520-R524 WeakPolarHBondContact O-CB 3.28Å; E520-R524 PolarHBondContact O-N 2.95Å; S521-R524 PolarHBondContact O-N 3.42Å; Q522-R524 VanDerWaalsContact C-N 3.3Å; Q522-R524 PolarHBondContact O-N 3.25Å; R524-Q527 WeakPolarHBondContact O-CB 3.05Å; R524-Q527 PolarHBondContact O-N 3.21Å; R524-Q528 WeakPolarHBondContact O-CG 3.21Å; R524-Q528 PolarHBondContact O-N 3.15Å; R524-Q528 VanDerWaalsContact O-N 3.09Å; R524-N541 PolarHBondContact NE-O 3.33Å; R524-Y546 HydrophobicContact CB-CD1 3.94Å; R524-Y546 HydrophobicContact CB-CD2 4.19Å; R524-Y546 HydrophobicContact CB-CE1 4.04Å; R524-Y546 HydrophobicContact CB-CE2 4.28Å; R524-Y546 HydrophobicContact CB-CG 4.02Å; R524-Y546 HydrophobicContact CG-CD1 4.35Å; R524-Y546 HydrophobicContact CG-CD2 3.68Å; R524-Y546 HydrophobicContact CG-CE1 4.36Å; R524-Y546 HydrophobicContact CG-CE2 3.7Å; R524-Y546 HydrophobicContact CG-CG 4.03Å
525L95.8Very high96.6Very high35 Ų3551.5 Ų51.518%0.18329%0.287CS..Hα-helixtrans-62-47.1177.1-174.966.3000111S521 Q522 Q527 Q528 S529 A538 R539S521-L525 PolarHBondContact O-N 3.5Å; Q522-L525 WeakPolarHBondContact O-CB 3.44Å; Q522-L525 PolarHBondContact O-N 3.37Å; Q522-L525 VanDerWaalsContact O-N 3.14Å; L525-Q527 VanDerWaalsContact C-N 3.32Å; L525-Q527 PolarHBondContact O-N 2.74Å; L525-Q528 PolarHBondContact O-N 2.84Å; L525-Q528 VanDerWaalsContact O-N 3.14Å; L525-S529 PolarHBondContact O-N 3.02Å; L525-S529 PolarHBondContact O-OG 3.3Å; L525-A538 HydrophobicContact CD1-CB 3.9Å; L525-R539 HydrophobicContact CD1-CG 4.13Å
526E95.1Very high96.2Very high95 Ų9559 Ų5944%0.44432%0.319SS..Hα-helixtrans-59.6-40.5176.3-72168.1-175.900112.3Q522 R523 Q528 S529 A530Q522-E526 WeakPolarHBondContact CG-OE1 3.38Å; Q522-E526 PolarHBondContact NE2-OE1 3.23Å; Q522-E526 WeakPolarHBondContact O-CG 3.48Å; Q522-E526 PolarHBondContact O-N 3.48Å; R523-E526 PolarHBondContact O-N 2.91Å; E526-Q528 PolarHBondContact O-N 3.14Å; E526-S529 PolarHBondContact O-N 3.3Å; E526-A530 WeakPolarHBondContact O-CB 3.38Å; E526-A530 PolarHBondContact O-N 3.43Å
527Q97Very high96Very high65 Ų6561.5 Ų61.530%0.30433%0.332SS..Hα-helixtrans-61.2-43.2174.3-75.8169.71.600112.5R523 R524 L525 S529 A530 L531R523-Q527 VanDerWaalsContact O-CG 3.27Å; R523-Q527 WeakPolarHBondContact O-CG 3.46Å; R523-Q527 PolarHBondContact O-N 3.37Å; R524-Q527 WeakPolarHBondContact O-CB 3.05Å; R524-Q527 PolarHBondContact O-N 3.21Å; L525-Q527 VanDerWaalsContact C-N 3.32Å; L525-Q527 PolarHBondContact O-N 2.74Å; Q527-S529 VanDerWaalsContact C-N 3.34Å; Q527-A530 PolarHBondContact O-N 3.43Å; Q527-L531 VanDerWaalsContact O-CG 3.3Å; Q527-L531 WeakPolarHBondContact O-CG 3.46Å; Q527-L531 PolarHBondContact O-N 3.13Å
528Q97.1Very high95.9Very high11 Ų1161.3 Ų61.35%0.05133%0.331CS..Hα-helixtrans-64.8-41.3177.4-67.5-59.6-70.700111.5R524 L525 E526 A530 L531 S533 A538 N541R524-Q528 WeakPolarHBondContact O-CG 3.21Å; R524-Q528 PolarHBondContact O-N 3.15Å; R524-Q528 VanDerWaalsContact O-N 3.09Å; L525-Q528 PolarHBondContact O-N 2.84Å; L525-Q528 VanDerWaalsContact O-N 3.14Å; E526-Q528 PolarHBondContact O-N 3.14Å; Q528-A530 VanDerWaalsContact C-N 3.35Å; Q528-L531 WeakPolarHBondContact O-CB 3.08Å; Q528-L531 PolarHBondContact O-N 2.87Å; Q528-S533 WeakPolarHBondContact O-CB 3.35Å; Q528-S533 PolarHBondContact O-N 3Å; Q528-S533 VanDerWaalsContact O-N 3.13Å; Q528-S533 PolarHBondContact O-OG 2.88Å; Q528-S533 VanDerWaalsContact O-OG 3.08Å; Q528-A538 HydrophobicContact CB-CB 3.65Å; Q528-N541 HydrophobicContact CG-CB 4Å; Q528-N541 PolarHBondContact OE1-ND2 2.9Å
529S93.2Very high95.6Very high65 Ų6566.2 Ų66.246%0.45535%0.349SS..Hα-helixtrans-62.3-41.2174-62.80000112L525 E526 Q527 L531 G532L525-S529 PolarHBondContact O-N 3.02Å; L525-S529 PolarHBondContact O-OG 3.3Å; E526-S529 PolarHBondContact O-N 3.3Å; Q527-S529 VanDerWaalsContact C-N 3.34Å; S529-L531 VanDerWaalsContact C-N 3.26Å; S529-L531 PolarHBondContact O-N 3.08Å; S529-G532 PolarHBondContact O-N 3.44Å
530A95.6Very high95.4Very high90 Ų9067.9 Ų67.974%0.74436%0.357SS*.Hα-helixtrans-65.4-27.6176.100000113.1E526 Q527 Q528 G532E526-A530 WeakPolarHBondContact O-CB 3.38Å; E526-A530 PolarHBondContact O-N 3.43Å; Q527-A530 PolarHBondContact O-N 3.43Å; Q528-A530 VanDerWaalsContact C-N 3.35Å; A530-G532 PolarHBondContact O-N 2.92Å
531L96.3Very high95.3Very high131 Ų13169.8 Ų69.869%0.68637%0.368SS*.THydrogen-bonded Turntrans-760.9171.6-69.4169.9000113.4Q527 Q528 S529Q527-L531 VanDerWaalsContact O-CG 3.3Å; Q527-L531 WeakPolarHBondContact O-CG 3.46Å; Q527-L531 PolarHBondContact O-N 3.13Å; Q528-L531 WeakPolarHBondContact O-CB 3.08Å; Q528-L531 PolarHBondContact O-N 2.87Å; S529-L531 VanDerWaalsContact C-N 3.26Å; S529-L531 PolarHBondContact O-N 3.08Å
532G95.1Very high95.2Very high68 Ų6869.8 Ų69.870%0.70137%0.368SS*.THydrogen-bonded Turntrans81.312.1-179.300000114.4S529 A530S529-G532 PolarHBondContact O-N 3.44Å; A530-G532 PolarHBondContact O-N 2.92Å
533S95.8Very high95.1Very high23 Ų2369.9 Ų69.916%0.16137%0.368CS..  trans-65.5140174.5-54.40000110Q528Q528-S533 WeakPolarHBondContact O-CB 3.35Å; Q528-S533 PolarHBondContact O-N 3Å; Q528-S533 VanDerWaalsContact O-N 3.13Å; Q528-S533 PolarHBondContact O-OG 2.88Å; Q528-S533 VanDerWaalsContact O-OG 3.08Å
534N95Very high95Very high80 Ų8069.7 Ų69.743%0.42838%0.378SS..  trans-69.6168.6171.865.657.4000111.4F536 E537 A538N534-F536 PolarHBondContact O-N 2.93Å; N534-F536 WeakPolarHBondContact OD1-CB 3.26Å; N534-F536 PolarHBondContact OD1-N 3.06Å; N534-F536 VanDerWaalsContact OD1-N 3.12Å; N534-E537 PolarHBondContact N-OE2 3.43Å; N534-E537 PolarHBondContact ND2-OE1 3.39Å; N534-E537 PolarHBondContact ND2-OE2 3.36Å; N534-E537 PolarHBondContact O-N 2.81Å; N534-E537 PolarHBondContact OD1-N 3.28Å; N534-A538 WeakPolarHBondContact O-CB 3.41Å; N534-A538 PolarHBondContact O-N 3.45Å
535E91Very high94.8Very high125 Ų12575.5 Ų75.558%0.58440%0.401SS*.Hα-helixtrans-54.7-39.2-176.2-174.6-175.6171.900113.1R539E535-R539 WeakPolarHBondContact O-CB 3.3Å; E535-R539 WeakPolarHBondContact O-CG 3.36Å; E535-R539 PolarHBondContact O-N 3.28Å; E535-R539 VanDerWaalsContact O-N 3.08Å; E535-R539 IonicContact OE1-CZ 2.77Å; E535-R539 IonicContact OE1-NE 2.74Å; E535-R539 IonicContact OE1-NH1 3.01Å; E535-R539 PolarHBondContact OE1-NH1 3.47Å; E535-R539 IonicContact OE1-NH2 3.2Å; E535-R539 PolarHBondContact OE1-NH2 3.18Å
536F91.5Very high94.9Very high157 Ų15776.4 Ų76.469%0.68940%0.403SS*.Hα-helixtrans-67.1-50.7179173.4-92.2000111.4N534 A538 R539 N540N534-F536 PolarHBondContact O-N 2.93Å; N534-F536 WeakPolarHBondContact OD1-CB 3.26Å; N534-F536 PolarHBondContact OD1-N 3.06Å; N534-F536 VanDerWaalsContact OD1-N 3.12Å; F536-A538 PolarHBondContact O-N 2.94Å; F536-R539 PolarHBondContact O-N 3.1Å; F536-N540 WeakPolarHBondContact O-CB 3.35Å; F536-N540 PolarHBondContact O-N 3.25Å
537E95.1Very high95Very high85 Ų8572 Ų7240%0.39738%0.382SS..Hα-helixtrans-61.1-44.3178.1-74.1168.6178.700111.6N534 R539 N540 N541N534-E537 PolarHBondContact N-OE2 3.43Å; N534-E537 PolarHBondContact ND2-OE1 3.39Å; N534-E537 PolarHBondContact ND2-OE2 3.36Å; N534-E537 PolarHBondContact O-N 2.81Å; N534-E537 PolarHBondContact OD1-N 3.28Å; E537-R539 PolarHBondContact O-N 3.15Å; E537-N540 PolarHBondContact O-N 2.93Å; E537-N541 VanDerWaalsContact O-CB 3.28Å; E537-N541 WeakPolarHBondContact O-CB 3.27Å; E537-N541 PolarHBondContact O-N 3.05Å; E537-N541 PolarHBondContact O-ND2 2.97Å
538A95.4Very high95Very high1 Ų172.8 Ų72.81%0.00838%0.382CS..Hα-helixtrans-61.2-45.2179.600000111.5L525 Q528 N534 F536 S542L525-A538 HydrophobicContact CD1-CB 3.9Å; Q528-A538 HydrophobicContact CB-CB 3.65Å; N534-A538 WeakPolarHBondContact O-CB 3.41Å; N534-A538 PolarHBondContact O-N 3.45Å; F536-A538 PolarHBondContact O-N 2.94Å; A538-S542 VanDerWaalsContact O-CB 3.31Å; A538-S542 WeakPolarHBondContact O-CB 3.44Å; A538-S542 PolarHBondContact O-N 3.38Å; A538-S542 PolarHBondContact O-OG 2.95Å
539R92.4Very high95.1Very high103 Ų10373.4 Ų73.439%0.38939%0.388SS..Hα-helixtrans-64.5-43.5174.8-77.2-177.8176.1152.510.3112.6L525 E535 F536 E537 S542 Q543L525-R539 HydrophobicContact CD1-CG 4.13Å; E535-R539 WeakPolarHBondContact O-CB 3.3Å; E535-R539 WeakPolarHBondContact O-CG 3.36Å; E535-R539 PolarHBondContact O-N 3.28Å; E535-R539 VanDerWaalsContact O-N 3.08Å; E535-R539 IonicContact OE1-CZ 2.77Å; E535-R539 IonicContact OE1-NE 2.74Å; E535-R539 IonicContact OE1-NH1 3.01Å; E535-R539 PolarHBondContact OE1-NH1 3.47Å; E535-R539 IonicContact OE1-NH2 3.2Å; E535-R539 PolarHBondContact OE1-NH2 3.18Å; F536-R539 PolarHBondContact O-N 3.1Å; E537-R539 PolarHBondContact O-N 3.15Å; R539-S542 PolarHBondContact O-N 3.44Å; R539-Q543 WeakPolarHBondContact O-CG 3.27Å; R539-Q543 PolarHBondContact O-NE2 3.4Å
540N94.1Very high95.3Very high81 Ų8170.3 Ų70.343%0.43337%0.366SS..Hα-helixtrans-61.8-48179.218074.5000111.8F536 E537 S542 Q543F536-N540 WeakPolarHBondContact O-CB 3.35Å; F536-N540 PolarHBondContact O-N 3.25Å; E537-N540 PolarHBondContact O-N 2.93Å; N540-S542 PolarHBondContact O-N 3.1Å; N540-S542 VanDerWaalsContact O-N 3.17Å; N540-Q543 WeakPolarHBondContact O-CG 3.39Å; N540-Q543 PolarHBondContact O-N 3.03Å
541N95.9Very high95.5Very high71 Ų7166 Ų6638%0.3833%0.331SS..THydrogen-bonded Turntrans-75.8-1.7-177.2-63.6-11.4000113.7R524 Q528 E537R524-N541 PolarHBondContact NE-O 3.33Å; Q528-N541 HydrophobicContact CG-CB 4Å; Q528-N541 PolarHBondContact OE1-ND2 2.9Å; E537-N541 VanDerWaalsContact O-CB 3.28Å; E537-N541 WeakPolarHBondContact O-CB 3.27Å; E537-N541 PolarHBondContact O-N 3.05Å; E537-N541 PolarHBondContact O-ND2 2.97Å
542S96.9Very high95.6Very high0 Ų060.5 Ų60.50%030%0.302CS..THydrogen-bonded Turntrans-108.28.7175.3-52.90000112.6A538 R539 N540 Y546 C547A538-S542 VanDerWaalsContact O-CB 3.31Å; A538-S542 WeakPolarHBondContact O-CB 3.44Å; A538-S542 PolarHBondContact O-N 3.38Å; A538-S542 PolarHBondContact O-OG 2.95Å; R539-S542 PolarHBondContact O-N 3.44Å; N540-S542 PolarHBondContact O-N 3.1Å; N540-S542 VanDerWaalsContact O-N 3.17Å; S542-Y546 WeakPolarHBondContact O-CB 3.34Å; S542-C547 WeakPolarHBondContact O-CB 3.37Å; S542-C547 PolarHBondContact O-N 3.21Å; S542-C547 VanDerWaalsContact O-N 3.13Å; S542-C547 PolarHBondContact O-SG 3.34Å
543Q95.4Very high95.7Very high14 Ų1457.2 Ų57.27%0.06527%0.269CS..Iπ-helixtrans-79.6-57.4-179-68-54.4-42.700113.9Q451 R539 N540 Y545 Y546 C547 R548Q451-Q543 HydrophobicContact CG-CG 4.28Å; R539-Q543 WeakPolarHBondContact O-CG 3.27Å; R539-Q543 PolarHBondContact O-NE2 3.4Å; N540-Q543 WeakPolarHBondContact O-CG 3.39Å; N540-Q543 PolarHBondContact O-N 3.03Å; Q543-Y545 PolarHBondContact O-N 3.49Å; Q543-Y546 PolarHBondContact O-N 3.05Å; Q543-C547 PolarHBondContact O-N 2.73Å; Q543-R548 VanDerWaalsContact O-CB 3.27Å; Q543-R548 WeakPolarHBondContact O-CB 3.22Å; Q543-R548 PolarHBondContact O-N 3Å
544V94.5Very high95.9Very high96 Ų9656.1 Ų56.158%0.58226%0.261SS*.Iπ-helixtrans-69131.4-172.2-172.10000109.7Y546V544-Y546 WeakPolarHBondContact O-CD2 3.27Å; V544-Y546 PolarHBondContact O-N 2.92Å; V544-Y546 VanDerWaalsContact O-N 3.07Å
545Y92.4Very high96.1Very high189 Ų18952.3 Ų52.374%0.74124%0.241SC*.Iπ-helixtrans68.3-19.7-174.4-52.2-60.7000117.1Q543 S549Q543-Y545 PolarHBondContact O-N 3.49Å; Y545-S549 PolarHBondContact O-OG 3.22Å
546Y97.2Very high96.4Very high54 Ų5447.1 Ų47.121%0.21222%0.216CC..Iπ-helixtrans-108.4-95-178.8-56-84.9000111.5E520 S521 R524 S542 Q543 V544 R548 S549 L550E520-Y546 HydrophobicContact CB-CD1 4.12Å; E520-Y546 HydrophobicContact CB-CE1 4.35Å; S521-Y546 VanDerWaalsContact OG-C 3.23Å; R524-Y546 HydrophobicContact CB-CD1 3.94Å; R524-Y546 HydrophobicContact CB-CD2 4.19Å; R524-Y546 HydrophobicContact CB-CE1 4.04Å; R524-Y546 HydrophobicContact CB-CE2 4.28Å; R524-Y546 HydrophobicContact CB-CG 4.02Å; R524-Y546 HydrophobicContact CG-CD1 4.35Å; R524-Y546 HydrophobicContact CG-CD2 3.68Å; R524-Y546 HydrophobicContact CG-CE1 4.36Å; R524-Y546 HydrophobicContact CG-CE2 3.7Å; R524-Y546 HydrophobicContact CG-CG 4.03Å; S542-Y546 WeakPolarHBondContact O-CB 3.34Å; Q543-Y546 PolarHBondContact O-N 3.05Å; V544-Y546 WeakPolarHBondContact O-CD2 3.27Å; V544-Y546 PolarHBondContact O-N 2.92Å; V544-Y546 VanDerWaalsContact O-N 3.07Å; Y546-R548 VanDerWaalsContact C-N 3.3Å; Y546-R548 PolarHBondContact O-N 3.21Å; Y546-S549 WeakPolarHBondContact O-CB 3.47Å; Y546-S549 PolarHBondContact O-N 3.05Å; Y546-L550 PolarHBondContact O-N 2.94Å
547C97.9Very high96.8Very high3 Ų339.8 Ų39.82%0.0218%0.184CC..Iπ-helixtrans-58-38.6-172-65.60000113.2S454 S521 S542 Q543 L550 A551S454-C547 WeakPolarHBondContact CB-O 3.12Å; S521-C547 PolarHBondContact OG-N 3.23Å; S542-C547 WeakPolarHBondContact O-CB 3.37Å; S542-C547 PolarHBondContact O-N 3.21Å; S542-C547 VanDerWaalsContact O-N 3.13Å; S542-C547 PolarHBondContact O-SG 3.34Å; Q543-C547 PolarHBondContact O-N 2.73Å; C547-L550 WeakPolarHBondContact O-CB 3.49Å; C547-L550 PolarHBondContact O-N 2.77Å; C547-A551 PolarHBondContact O-N 2.95Å
548R97.7Very high96.9Very high81 Ų8135.9 Ų35.931%0.30617%0.166SC..Hα-helixtrans-63.6-43.4177-173.2-168170.2-72.3-1.7111.6W405 N447 L450 Q543 Y546 I552W405-R548 VanDerWaalsContact CH2-NH2 3.35Å; N447-R548 PolarHBondContact OD1-NE 3.43Å; L450-R548 HydrophobicContact CD1-CG 3.68Å; Q543-R548 VanDerWaalsContact O-CB 3.27Å; Q543-R548 WeakPolarHBondContact O-CB 3.22Å; Q543-R548 PolarHBondContact O-N 3Å; Y546-R548 VanDerWaalsContact C-N 3.3Å; Y546-R548 PolarHBondContact O-N 3.21Å; R548-I552 PolarHBondContact O-N 2.76Å
549S97.8Very high97.1Very high24 Ų2435.9 Ų35.917%0.16817%0.166CC..Hα-helixtrans-64.5-45.7178.3-53.70000110.2Y545 Y546 A551 I552 T553Y545-S549 PolarHBondContact O-OG 3.22Å; Y546-S549 WeakPolarHBondContact O-CB 3.47Å; Y546-S549 PolarHBondContact O-N 3.05Å; S549-A551 VanDerWaalsContact C-N 3.33Å; S549-A551 PolarHBondContact O-N 3.33Å; S549-I552 PolarHBondContact O-N 2.63Å; S549-I552 VanDerWaalsContact O-N 3.16Å; S549-T553 WeakPolarHBondContact O-CG2 3.24Å; S549-T553 PolarHBondContact O-N 3.37Å; S549-T553 PolarHBondContact O-OG1 3.31Å; S549-T553 VanDerWaalsContact O-OG1 3.09Å
550L98.7Very high97.4Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-53.4-48176.617562.5000112.1L457 I514 L517 L518 Y546 C547 I552 T553 Y554L457-L550 HydrophobicContact CB-CD2 4.26Å; L457-L550 HydrophobicContact CD1-CD1 4.13Å; L457-L550 HydrophobicContact CD1-CD2 4.16Å; L457-L550 HydrophobicContact CD1-CG 3.78Å; I514-L550 HydrophobicContact CG2-CD1 3.77Å; L517-L550 HydrophobicContact CB-CB 4.11Å; L517-L550 HydrophobicContact CB-CD1 4.01Å; L518-L550 HydrophobicContact CB-CD1 4.1Å; L518-L550 HydrophobicContact CD1-CD2 3.82Å; Y546-L550 PolarHBondContact O-N 2.94Å; C547-L550 WeakPolarHBondContact O-CB 3.49Å; C547-L550 PolarHBondContact O-N 2.77Å; L550-I552 PolarHBondContact O-N 3.32Å; L550-T553 PolarHBondContact O-OG1 3.34Å; L550-Y554 VanDerWaalsContact O-CB 3.28Å; L550-Y554 WeakPolarHBondContact O-CB 3.5Å; L550-Y554 PolarHBondContact O-N 3.48Å
551A98.6Very high97.6Very high0 Ų029.9 Ų29.90%014%0.14CC..Hα-helixtrans-63.4-39179.700000112.9L450 T453 C547 S549 I555L450-A551 HydrophobicContact CB-CB 4.01Å; L450-A551 HydrophobicContact CD2-CB 3.8Å; L450-A551 HydrophobicContact CG-CB 4.49Å; L450-A551 WeakPolarHBondContact O-CB 3.41Å; T453-A551 HydrophobicContact CG2-CB 4.11Å; C547-A551 PolarHBondContact O-N 2.95Å; S549-A551 VanDerWaalsContact C-N 3.33Å; S549-A551 PolarHBondContact O-N 3.33Å; A551-I555 PolarHBondContact O-N 3.37Å
552I98.5Very high97.7Very high15 Ų1528.2 Ų28.28%0.07713%0.128CC..Hα-helixtrans-70.5-46.8177.9-70-67.7000111.3P401 W405 L450 R548 S549 L550 Y554 I555 E556P401-I552 HydrophobicContact CB-CD1 4.5Å; W405-I552 HydrophobicContact CE3-CD1 4.42Å; W405-I552 HydrophobicContact CZ3-CD1 3.97Å; L450-I552 HydrophobicContact CD1-CD1 3.87Å; L450-I552 HydrophobicContact CD1-CG1 3.9Å; L450-I552 HydrophobicContact CD2-CD1 3.57Å; L450-I552 HydrophobicContact CD2-CG1 3.93Å; L450-I552 HydrophobicContact CG-CD1 4.37Å; R548-I552 PolarHBondContact O-N 2.76Å; S549-I552 PolarHBondContact O-N 2.63Å; S549-I552 VanDerWaalsContact O-N 3.16Å; L550-I552 PolarHBondContact O-N 3.32Å; I552-Y554 VanDerWaalsContact C-N 3.27Å; I552-Y554 PolarHBondContact O-N 3.41Å; I552-I555 WeakPolarHBondContact O-CG2 3.41Å; I552-I555 PolarHBondContact O-N 3.28Å; I552-E556 HydrophobicContact CG2-CG 4.42Å; I552-E556 WeakPolarHBondContact CG2-OE1 3.38Å; I552-E556 WeakPolarHBondContact O-CG 3.16Å; I552-E556 PolarHBondContact O-N 3.27Å
553T98.6Very high97.8Very high0 Ų028.4 Ų28.40%013%0.129CC..Hα-helixtrans-64.5-35.4179.652.80000111.7L513 L517 S549 L550 H557L513-T553 HydrophobicContact CD2-CG2 3.53Å; L513-T553 HydrophobicContact CG-CG2 3.98Å; L517-T553 HydrophobicContact CD1-CG2 3.77Å; L517-T553 WeakPolarHBondContact CD1-OG1 3.22Å; S549-T553 WeakPolarHBondContact O-CG2 3.24Å; S549-T553 PolarHBondContact O-N 3.37Å; S549-T553 PolarHBondContact O-OG1 3.31Å; S549-T553 VanDerWaalsContact O-OG1 3.09Å; L550-T553 PolarHBondContact O-OG1 3.34Å; T553-H557 WeakPolarHBondContact O-CB 3.48Å; T553-H557 PolarHBondContact O-N 3.1Å
554Y98.8Very high97.9Very high0 Ų028.7 Ų28.70%013%0.13CC..Hα-helixtrans-57.9-50.6173.5164.9-104.1000111.6I395 T453 L457 T477 V478 L550 I552 H557 C558I395-Y554 HydrophobicContact CG1-CE1 4.3Å; I395-Y554 WeakPolarHBondContact CG1-OH 3.46Å; T453-Y554 HydrophobicContact CG2-CD1 3.62Å; T453-Y554 HydrophobicContact CG2-CE1 3.93Å; L457-Y554 HydrophobicContact CD1-CD1 4.41Å; L457-Y554 HydrophobicContact CD1-CD2 4.3Å; L457-Y554 HydrophobicContact CD1-CG 3.93Å; L457-Y554 HydrophobicContact CD2-CD2 3.92Å; L457-Y554 HydrophobicContact CD2-CE2 4.06Å; L457-Y554 HydrophobicContact CD2-CG 4.31Å; T477-Y554 WeakPolarHBondContact CB-OH 3.11Å; T477-Y554 PolarHBondContact OG1-OH 3.41Å; V478-Y554 HydrophobicContact CG1-CD2 4.44Å; V478-Y554 HydrophobicContact CG1-CE2 3.65Å; L550-Y554 VanDerWaalsContact O-CB 3.28Å; L550-Y554 WeakPolarHBondContact O-CB 3.5Å; L550-Y554 PolarHBondContact O-N 3.48Å; I552-Y554 VanDerWaalsContact C-N 3.27Å; I552-Y554 PolarHBondContact O-N 3.41Å; Y554-H557 WeakPolarHBondContact O-CB 3.42Å; Y554-H557 PolarHBondContact O-N 3.45Å; Y554-C558 VanDerWaalsContact CE2-SG 3.52Å; Y554-C558 VanDerWaalsContact CZ-SG 3.55Å; Y554-C558 PolarHBondContact O-N 2.85Å; Y554-C558 PolarHBondContact O-SG 3.13Å
555I98.8Very high98.1Very high0 Ų026.9 Ų26.90%012%0.122CC..Hα-helixtrans-73.7-33.4-175.9-17063.2000113.3F361 I395 L402 A551 I552 H557 C558 C559F361-I555 HydrophobicContact CE2-CD1 4.01Å; F361-I555 HydrophobicContact CZ-CD1 3.71Å; I395-I555 HydrophobicContact CG2-CD1 3.96Å; L402-I555 HydrophobicContact CB-CG2 3.99Å; L402-I555 HydrophobicContact CD2-CB 4.49Å; L402-I555 HydrophobicContact CD2-CG1 3.98Å; L402-I555 HydrophobicContact CD2-CG2 3.99Å; L402-I555 HydrophobicContact CG-CG2 4.48Å; A551-I555 PolarHBondContact O-N 3.37Å; I552-I555 WeakPolarHBondContact O-CG2 3.41Å; I552-I555 PolarHBondContact O-N 3.28Å; I555-H557 VanDerWaalsContact C-N 3.31Å; I555-H557 PolarHBondContact O-N 2.98Å; I555-C558 HydrophobicContact CD1-CB 4.15Å; I555-C558 PolarHBondContact O-N 3.48Å; I555-C559 PolarHBondContact O-N 3.14Å; I555-C559 PolarHBondContact O-SG 2.87Å
556E98.8Very high98.4Very high15 Ų1519.4 Ų19.47%0.0710%0.095CC..Hα-helixtrans-59.9-44.3171.8-73.1174.2176.200111L402 Y510 I552 C559 L560 H595L402-E556 HydrophobicContact CD1-CG 3.8Å; L402-E556 HydrophobicContact CD2-CG 4.35Å; Y510-E556 HydrophobicContact CE1-CB 3.77Å; Y510-E556 VanDerWaalsContact CE1-OE2 3.3Å; Y510-E556 WeakPolarHBondContact CE1-OE2 3.13Å; Y510-E556 PolarHBondContact OH-OE2 2.99Å; I552-E556 HydrophobicContact CG2-CG 4.42Å; I552-E556 WeakPolarHBondContact CG2-OE1 3.38Å; I552-E556 WeakPolarHBondContact O-CG 3.16Å; I552-E556 PolarHBondContact O-N 3.27Å; E556-C559 PolarHBondContact O-N 2.57Å; E556-L560 WeakPolarHBondContact O-CB 3.39Å; E556-L560 PolarHBondContact O-N 3.15Å; E556-H595 IonicContact OE1-NE2 3.45Å; E556-H595 PolarHBondContact OE1-NE2 3.14Å; E556-H595 IonicContact OE2-CD2 2.73Å; E556-H595 PolarHBondContact OE2-CD2 3.27Å; E556-H595 IonicContact OE2-CE1 3.62Å; E556-H595 IonicContact OE2-NE2 3.91Å; E556-H595 PolarHBondContact OE2-NE2 3.26Å
557H98.8Very high98.3Very high3 Ų316.9 Ų16.91%0.0149%0.085CC..Hα-helixtrans-61.3-46.6173.1173.5-96.7000112.1F480 Y510 I514 T553 Y554 I555 C559 L560 Q561F480-H557 AromaticContact CD1-CE1 3.79Å; F480-H557 AromaticContact CE1-CE1 3.52Å; F480-H557 AromaticContact CE1-ND1 3.74Å; Y510-H557 HydrophobicContact CD1-CB 4.21Å; Y510-H557 HydrophobicContact CG-CB 4.15Å; I514-H557 HydrophobicContact CD1-CB 3.48Å; I514-H557 VanDerWaalsContact CD1-CB 3.48Å; T553-H557 WeakPolarHBondContact O-CB 3.48Å; T553-H557 PolarHBondContact O-N 3.1Å; Y554-H557 WeakPolarHBondContact O-CB 3.42Å; Y554-H557 PolarHBondContact O-N 3.45Å; I555-H557 VanDerWaalsContact C-N 3.31Å; I555-H557 PolarHBondContact O-N 2.98Å; H557-C559 VanDerWaalsContact C-N 3.28Å; H557-C559 PolarHBondContact O-N 3.36Å; H557-L560 PolarHBondContact O-N 3.5Å; H557-Q561 PolarHBondContact CE1-OE1 3Å; H557-Q561 PolarHBondContact NE2-OE1 2.71Å; H557-Q561 WeakPolarHBondContact O-CB 3.36Å; H557-Q561 PolarHBondContact O-N 2.91Å
558C98.6Very high98.2Very high4 Ų419.7 Ų19.73%0.02710%0.102CC..Hα-helixtrans-57.7-41177.5-68.30000112.5F361 Y554 I555 R562F361-C558 HydrophobicContact CE2-CB 4.44Å; Y554-C558 VanDerWaalsContact CE2-SG 3.52Å; Y554-C558 VanDerWaalsContact CZ-SG 3.55Å; Y554-C558 PolarHBondContact O-N 2.85Å; Y554-C558 PolarHBondContact O-SG 3.13Å; I555-C558 HydrophobicContact CD1-CB 4.15Å; I555-C558 PolarHBondContact O-N 3.48Å; C558-R562 WeakPolarHBondContact O-CG 3.37Å; C558-R562 PolarHBondContact O-N 3.16Å
559C98.8Very high98.2Very high0 Ų019.4 Ų19.40%011%0.107CC..Hα-helixtrans-64.5-48.8176.4-64.50000111.2V357 F361 I555 E556 H557 F563 Y587V357-C559 HydrophobicContact CG1-CB 3.91Å; F361-C559 HydrophobicContact CB-CB 4.44Å; F361-C559 HydrophobicContact CD2-CB 4.28Å; F361-C559 VanDerWaalsContact CD2-SG 3.56Å; F361-C559 HydrophobicContact CG-CB 4.35Å; F361-C559 VanDerWaalsContact CG-SG 3.54Å; I555-C559 PolarHBondContact O-N 3.14Å; I555-C559 PolarHBondContact O-SG 2.87Å; E556-C559 PolarHBondContact O-N 2.57Å; H557-C559 VanDerWaalsContact C-N 3.28Å; H557-C559 PolarHBondContact O-N 3.36Å; C559-F563 PolarHBondContact O-N 2.98Å; C559-Y587 HydrophobicContact CB-CE1 4.31Å
560L98.7Very high97.9Very high0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-63.8-45.9-179.7179.464000112.1S506 L507 Y510 E556 H557 R562 F563 H564 Y587S506-L560 WeakPolarHBondContact OG-CD2 3.23Å; L507-L560 HydrophobicContact CD2-CB 4.3Å; L507-L560 HydrophobicContact CD2-CD2 3.81Å; L507-L560 HydrophobicContact CD2-CG 3.75Å; L507-L560 HydrophobicContact CG-CD2 3.95Å; L507-L560 HydrophobicContact CG-CG 4.08Å; Y510-L560 HydrophobicContact CD2-CD2 3.78Å; Y510-L560 HydrophobicContact CE2-CD2 4.03Å; E556-L560 WeakPolarHBondContact O-CB 3.39Å; E556-L560 PolarHBondContact O-N 3.15Å; H557-L560 PolarHBondContact O-N 3.5Å; L560-R562 PolarHBondContact O-N 2.87Å; L560-F563 PolarHBondContact O-N 3.17Å; L560-H564 WeakPolarHBondContact O-CB 3.19Å; L560-H564 PolarHBondContact O-N 3.08Å; L560-Y587 HydrophobicContact CB-CD1 4.46Å; L560-Y587 HydrophobicContact CB-CE1 4.26Å; L560-Y587 HydrophobicContact CD1-CD1 4.16Å
561Q98.5Very high97.7Very high58 Ų5834.2 Ų34.227%0.27118%0.177SC..Hα-helixtrans-58.9-47.6179.7-177.683.573.200111L507 H557 F563 H564 S565L507-Q561 HydrophobicContact CD2-CB 4.04Å; H557-Q561 PolarHBondContact CE1-OE1 3Å; H557-Q561 PolarHBondContact NE2-OE1 2.71Å; H557-Q561 WeakPolarHBondContact O-CB 3.36Å; H557-Q561 PolarHBondContact O-N 2.91Å; Q561-F563 PolarHBondContact O-N 2.69Å; Q561-H564 PolarHBondContact O-N 3.15Å; Q561-S565 PolarHBondContact O-N 3.43Å; Q561-S565 PolarHBondContact O-OG 3.4Å; Q561-S565 VanDerWaalsContact O-OG 3.09Å
562R98.2Very high97.5Very high37 Ų3734.9 Ų34.914%0.1418%0.181CC..Hα-helixtrans-62.6-43.7178.6-75176.3174.8-116.2-2.8111.7H360 T364 N368 C558 L560 S565 L566H360-R562 PolarHBondContact CD2-O 3.16Å; H360-R562 PolarHBondContact NE2-O 3.36Å; T364-R562 VanDerWaalsContact C-NH1 3.29Å; T364-R562 PolarHBondContact OG1-NH1 2.91Å; N368-R562 PolarHBondContact OD1-NH1 3.2Å; N368-R562 PolarHBondContact OD1-NH2 3.48Å; C558-R562 WeakPolarHBondContact O-CG 3.37Å; C558-R562 PolarHBondContact O-N 3.16Å; L560-R562 PolarHBondContact O-N 2.87Å; R562-S565 WeakPolarHBondContact O-CB 3.49Å; R562-S565 PolarHBondContact O-N 3.09Å; R562-L566 PolarHBondContact O-N 2.88Å; R562-L566 VanDerWaalsContact O-N 3.11Å
563F98.6Very high97.4Very high3 Ų336.7 Ų36.71%0.01319%0.194CC..Hα-helixtrans-69.7-36.1178.4-164-107.3000112.4Y356 V357 H360 C559 L560 Q561 L566 T567 L580 L583 C584Y356-F563 WeakPolarHBondContact O-CE2 3.16Å; V357-F563 HydrophobicContact CB-CB 4.42Å; V357-F563 HydrophobicContact CB-CG 4.29Å; V357-F563 HydrophobicContact CG1-CB 4.07Å; V357-F563 HydrophobicContact CG1-CG 4.47Å; V357-F563 HydrophobicContact CG2-CB 4.11Å; V357-F563 HydrophobicContact CG2-CD1 3.57Å; V357-F563 HydrophobicContact CG2-CD2 4.28Å; V357-F563 HydrophobicContact CG2-CE1 3.96Å; V357-F563 HydrophobicContact CG2-CG 3.73Å; V357-F563 HydrophobicContact CG2-CZ 4.46Å; H360-F563 HydrophobicContact CB-CD2 3.75Å; H360-F563 HydrophobicContact CB-CE2 4.29Å; C559-F563 PolarHBondContact O-N 2.98Å; L560-F563 PolarHBondContact O-N 3.17Å; Q561-F563 PolarHBondContact O-N 2.69Å; F563-L566 HydrophobicContact CD2-CD2 4.06Å; F563-L566 HydrophobicContact CE2-CD2 3.99Å; F563-L566 WeakPolarHBondContact O-CB 3.29Å; F563-L566 PolarHBondContact O-N 3.46Å; F563-T567 HydrophobicContact CD1-CG2 4.27Å; F563-T567 HydrophobicContact CE1-CG2 4.19Å; F563-T567 VanDerWaalsContact O-CG2 3.31Å; F563-T567 WeakPolarHBondContact O-CG2 3.4Å; F563-T567 PolarHBondContact O-N 3.19Å; F563-T567 VanDerWaalsContact O-N 3.08Å; F563-L580 WeakPolarHBondContact CE1-O 3.34Å; F563-L580 HydrophobicContact CE2-CD2 4.48Å; F563-L580 HydrophobicContact CZ-CB 4.5Å; F563-L580 HydrophobicContact CZ-CD2 3.86Å; F563-L583 HydrophobicContact CE1-CB 4.25Å; F563-C584 HydrophobicContact CD1-CB 3.55Å; F563-C584 HydrophobicContact CE1-CB 3.79Å
564H98.4Very high97.2Very high21 Ų2141 Ų4110%0.09722%0.223CC..Hα-helixtrans-59.7-47.8171.3172.6-105.5000111.4E504 L507 L560 Q561 L566 T567 T568E504-H564 VanDerWaalsContact CD-NE2 3.28Å; E504-H564 IonicContact OE1-CD2 2.7Å; E504-H564 IonicContact OE1-CE1 3.17Å; E504-H564 IonicContact OE1-NE2 2.89Å; E504-H564 PolarHBondContact OE1-NE2 3.13Å; E504-H564 IonicContact OE2-NE2 3.75Å; L507-H564 HydrophobicContact CD1-CB 3.74Å; L507-H564 VanDerWaalsContact CD1-CG 3.46Å; L507-H564 WeakPolarHBondContact CD1-ND1 3.34Å; L560-H564 WeakPolarHBondContact O-CB 3.19Å; L560-H564 PolarHBondContact O-N 3.08Å; Q561-H564 PolarHBondContact O-N 3.15Å; H564-L566 VanDerWaalsContact C-N 3.28Å; H564-L566 PolarHBondContact O-N 3.05Å; H564-T567 PolarHBondContact O-N 3.02Å; H564-T567 PolarHBondContact O-OG1 2.97Å; H564-T568 PolarHBondContact O-N 3.25Å; H564-T568 PolarHBondContact O-OG1 2.95Å; H564-T568 VanDerWaalsContact O-OG1 3.14Å
565S97.9Very high97.1Very high58 Ų5845.6 Ų45.641%0.40625%0.248SC..Hα-helixtrans-53.8-44.3175.3-63.30000112Q561 R562 T567 T568 D569Q561-S565 PolarHBondContact O-N 3.43Å; Q561-S565 PolarHBondContact O-OG 3.4Å; Q561-S565 VanDerWaalsContact O-OG 3.09Å; R562-S565 WeakPolarHBondContact O-CB 3.49Å; R562-S565 PolarHBondContact O-N 3.09Å; S565-T567 PolarHBondContact O-N 3.39Å; S565-T568 WeakPolarHBondContact CA-OG1 3.32Å; S565-T568 CarbonylContact O-C 3.58Å; S565-T568 PolarHBondContact O-N 3.25Å; S565-T568 PolarHBondContact O-OG1 2.95Å; S565-T568 VanDerWaalsContact O-OG1 3.05Å; S565-D569 PolarHBondContact O-N 3.44Å
566L97.6Very high97Very high32 Ų3245.7 Ų45.717%0.16825%0.249CC..Hα-helixtrans-56.4-47.7172.8-179.771.3000112F30 H360 R562 F563 H564 T568 D569F30-L566 HydrophobicContact CE1-CD1 4.39Å; F30-L566 HydrophobicContact CE1-CD2 4.21Å; F30-L566 HydrophobicContact CZ-CD1 3.75Å; F30-L566 HydrophobicContact CZ-CD2 4.37Å; F30-L566 HydrophobicContact CZ-CG 4.22Å; H360-L566 HydrophobicContact CB-CD2 4.35Å; R562-L566 PolarHBondContact O-N 2.88Å; R562-L566 VanDerWaalsContact O-N 3.11Å; F563-L566 HydrophobicContact CD2-CD2 4.06Å; F563-L566 HydrophobicContact CE2-CD2 3.99Å; F563-L566 WeakPolarHBondContact O-CB 3.29Å; F563-L566 PolarHBondContact O-N 3.46Å; H564-L566 VanDerWaalsContact C-N 3.28Å; H564-L566 PolarHBondContact O-N 3.05Å; L566-T568 PolarHBondContact O-N 3.12Å; L566-D569 WeakPolarHBondContact O-CB 3.39Å; L566-D569 PolarHBondContact O-N 3.35Å
567T96.8Very high97Very high0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-70.8-17.1-177.569.70000114.2F563 H564 S565 K577 L580 R581 C584F563-T567 HydrophobicContact CD1-CG2 4.27Å; F563-T567 HydrophobicContact CE1-CG2 4.19Å; F563-T567 VanDerWaalsContact O-CG2 3.31Å; F563-T567 WeakPolarHBondContact O-CG2 3.4Å; F563-T567 PolarHBondContact O-N 3.19Å; F563-T567 VanDerWaalsContact O-N 3.08Å; H564-T567 PolarHBondContact O-N 3.02Å; H564-T567 PolarHBondContact O-OG1 2.97Å; S565-T567 PolarHBondContact O-N 3.39Å; T567-K577 VanDerWaalsContact O-CE 3.25Å; T567-K577 WeakPolarHBondContact O-CE 3.48Å; T567-L580 HydrophobicContact CG2-CB 3.99Å; T567-R581 HydrophobicContact CG2-CG 4.38Å; T567-C584 HydrophobicContact CG2-CB 4.31Å
568T96.1Very high96.9Very high62 Ų6251.7 Ų51.738%0.3828%0.281SS..Hα-helixtrans-102.6-2.5176.8560000113.3H564 S565 L566H564-T568 PolarHBondContact O-N 3.25Å; H564-T568 PolarHBondContact O-OG1 2.95Å; H564-T568 VanDerWaalsContact O-OG1 3.14Å; S565-T568 WeakPolarHBondContact CA-OG1 3.32Å; S565-T568 CarbonylContact O-C 3.58Å; S565-T568 PolarHBondContact O-N 3.25Å; S565-T568 PolarHBondContact O-OG1 2.95Å; S565-T568 VanDerWaalsContact O-OG1 3.05Å; L566-T568 PolarHBondContact O-N 3.12Å
569D95.7Very high96.9Very high76 Ų7651.6 Ų51.641%0.40628%0.281SS..  trans-59.9146.7178.8-161.3-70.5000110.9S565 L566 D571 M572S565-D569 PolarHBondContact O-N 3.44Å; L566-D569 WeakPolarHBondContact O-CB 3.39Å; L566-D569 PolarHBondContact O-N 3.35Å; D569-D571 VanDerWaalsContact C-N 3.26Å; D569-D571 PolarHBondContact O-N 2.77Å; D569-D571 WeakPolarHBondContact OD1-CB 3.42Å; D569-D571 PolarHBondContact OD1-N 2.97Å; D569-M572 HydrophobicContact CB-CB 4.48Å; D569-M572 WeakPolarHBondContact O-CB 3.31Å; D569-M572 PolarHBondContact O-N 3.08Å
570Q93Very high96.9Very high191 Ų19151.8 Ų51.889%0.89328%0.281SS*.THydrogen-bonded Turntrans-68.3-30.8179.8-65.3-176.1-1.700111.5M572Q570-M572 VanDerWaalsContact C-N 3.29Å; Q570-M572 PolarHBondContact O-N 3Å
571D93.2Very high96.9Very high143 Ų14354.2 Ų54.277%0.76529%0.291SS*.THydrogen-bonded Turntrans-87.75.2-178.2-64.8-31.2000112.8D569 P573D569-D571 VanDerWaalsContact C-N 3.26Å; D569-D571 PolarHBondContact O-N 2.77Å; D569-D571 WeakPolarHBondContact OD1-CB 3.42Å; D569-D571 PolarHBondContact OD1-N 2.97Å; D571-P573 WeakPolarHBondContact O-CD 3.06Å
572M95.1Very high96.9Very high15 Ų1554.7 Ų54.77%0.07429%0.292CS..SBendtrans-70.4113.9179.4179.171.3-87.100111.4F30 D569 Q570 S574 L576 K577 L580F30-M572 HydrophobicContact CD1-CE 4.2Å; F30-M572 HydrophobicContact CD2-CE 4.04Å; F30-M572 HydrophobicContact CE1-CE 3.64Å; F30-M572 HydrophobicContact CE1-SD 4.18Å; F30-M572 HydrophobicContact CE2-CE 3.46Å; F30-M572 VanDerWaalsContact CE2-CE 3.46Å; F30-M572 HydrophobicContact CE2-SD 4.35Å; F30-M572 HydrophobicContact CG-CE 4.37Å; F30-M572 HydrophobicContact CZ-CE 3.22Å; F30-M572 HydrophobicContact CZ-SD 3.68Å; D569-M572 HydrophobicContact CB-CB 4.48Å; D569-M572 WeakPolarHBondContact O-CB 3.31Å; D569-M572 PolarHBondContact O-N 3.08Å; Q570-M572 VanDerWaalsContact C-N 3.29Å; Q570-M572 PolarHBondContact O-N 3Å; M572-S574 PolarHBondContact O-N 3.44Å; M572-L576 HydrophobicContact CE-CB 3.94Å; M572-L576 HydrophobicContact CE-CD1 4.46Å; M572-K577 HydrophobicContact CG-CB 3.91Å; M572-K577 HydrophobicContact CG-CD 4.34Å; M572-K577 HydrophobicContact CG-CG 4.12Å; M572-L580 HydrophobicContact CE-CD1 3.69Å; M572-L580 HydrophobicContact SD-CD1 3.56Å; M572-L580 VanDerWaalsContact SD-CD1 3.56Å
573P95.8Very high96.9Very high53 Ų5352.9 Ų52.934%0.34429%0.285SS..  trans-43.7127.9172.3-17-1.4000114.8F30 D571 D575 L576 K577F30-P573 HydrophobicContact CD2-CG 3.88Å; F30-P573 HydrophobicContact CE2-CG 4.22Å; D571-P573 WeakPolarHBondContact O-CD 3.06Å; P573-D575 PolarHBondContact O-N 3.14Å; P573-L576 HydrophobicContact CB-CB 4.33Å; P573-L576 HydrophobicContact CB-CD1 4.24Å; P573-L576 HydrophobicContact CB-CG 4.08Å; P573-L576 HydrophobicContact CG-CD1 4.07Å; P573-L576 HydrophobicContact CG-CG 4.45Å; P573-L576 PolarHBondContact O-N 3.27Å; P573-K577 PolarHBondContact O-N 3.23Å
574S95.3Very high96.9Very high89 Ų8952.8 Ų52.862%0.62228%0.284SS*.THydrogen-bonded Turntrans-55.8-35.2-17852.70000113.3M572 P578M572-S574 PolarHBondContact O-N 3.44Å; S574-P578 WeakPolarHBondContact O-CD 3.43Å
575D95.7Very high97Very high97 Ų9751.8 Ų51.852%0.51928%0.28SS..THydrogen-bonded Turntrans-82.4-25.4-171.6-59.7-2.6000111.5P573P573-D575 PolarHBondContact O-N 3.14Å
576L97.9Very high97Very high3 Ų349 Ų492%0.01626%0.261CS..THydrogen-bonded Turntrans-90.7-27177.1-54.6-173000112.5F22 M27 F30 M572 P573 V579 L580F22-L576 HydrophobicContact CB-CD2 3.92Å; F22-L576 HydrophobicContact CD2-CD2 4.04Å; F22-L576 HydrophobicContact CG-CD2 4.36Å; M27-L576 HydrophobicContact CB-CD1 4.42Å; M27-L576 HydrophobicContact CB-CD2 4.18Å; M27-L576 HydrophobicContact CE-CB 4.11Å; M27-L576 HydrophobicContact CE-CD1 4.43Å; M27-L576 HydrophobicContact CE-CD2 3.92Å; M27-L576 HydrophobicContact CE-CG 4.37Å; M27-L576 HydrophobicContact SD-CD1 4Å; M27-L576 HydrophobicContact SD-CD2 4.43Å; F30-L576 HydrophobicContact CB-CD1 3.67Å; F30-L576 HydrophobicContact CD1-CD1 4.09Å; F30-L576 HydrophobicContact CG-CD1 3.88Å; M572-L576 HydrophobicContact CE-CB 3.94Å; M572-L576 HydrophobicContact CE-CD1 4.46Å; P573-L576 HydrophobicContact CB-CB 4.33Å; P573-L576 HydrophobicContact CB-CD1 4.24Å; P573-L576 HydrophobicContact CB-CG 4.08Å; P573-L576 HydrophobicContact CG-CD1 4.07Å; P573-L576 HydrophobicContact CG-CG 4.45Å; P573-L576 PolarHBondContact O-N 3.27Å; L576-V579 WeakPolarHBondContact O-CG1 3.36Å; L576-V579 PolarHBondContact O-N 3.08Å; L576-L580 HydrophobicContact CB-CD1 3.99Å; L576-L580 WeakPolarHBondContact O-CG 3.37Å; L576-L580 PolarHBondContact O-N 2.64Å
577K97.5Very high97.1Very high78 Ų7847.7 Ų47.734%0.33925%0.253SS..Hα-helixtrans-53.2-44.3-176.3-174.6172.7-177.5164.10113.8T567 M572 P573 L580 R581T567-K577 VanDerWaalsContact O-CE 3.25Å; T567-K577 WeakPolarHBondContact O-CE 3.48Å; M572-K577 HydrophobicContact CG-CB 3.91Å; M572-K577 HydrophobicContact CG-CD 4.34Å; M572-K577 HydrophobicContact CG-CG 4.12Å; P573-K577 PolarHBondContact O-N 3.23Å; K577-L580 PolarHBondContact O-N 2.69Å; K577-R581 HydrophobicContact CG-CG 4.32Å; K577-R581 WeakPolarHBondContact O-CB 3.48Å; K577-R581 WeakPolarHBondContact O-CG 3.24Å; K577-R581 PolarHBondContact O-N 3.41Å
578P97.8Very high97.2Very high66 Ų6647.7 Ų47.743%0.42925%0.253SS..Hα-helixtrans-62.3-45.9-178.9-24.535.1000113.1S574 K582S574-P578 WeakPolarHBondContact O-CD 3.43Å; P578-K582 WeakPolarHBondContact O-CG 3.43Å; P578-K582 PolarHBondContact O-N 3.02Å; P578-K582 VanDerWaalsContact O-N 3.16Å
579V98.6Very high97.3Very high2 Ų244.7 Ų44.71%0.01224%0.235CC..Hα-helixtrans-69.6-40.2-179.664.20000111.1F22 M27 L576 K582 L583 L625 E628 L632F22-V579 HydrophobicContact CB-CG1 4.44Å; F22-V579 HydrophobicContact CD1-CB 4.25Å; F22-V579 HydrophobicContact CD1-CG1 3.86Å; F22-V579 HydrophobicContact CD1-CG2 4.21Å; F22-V579 HydrophobicContact CE1-CG1 4.33Å; F22-V579 HydrophobicContact CE1-CG2 4.08Å; F22-V579 HydrophobicContact CG-CG1 4.06Å; M27-V579 HydrophobicContact CE-CG1 3.56Å; L576-V579 WeakPolarHBondContact O-CG1 3.36Å; L576-V579 PolarHBondContact O-N 3.08Å; V579-K582 PolarHBondContact O-N 3.47Å; V579-L583 WeakPolarHBondContact O-CG 3.42Å; V579-L583 PolarHBondContact O-N 2.86Å; V579-L625 HydrophobicContact CG2-CD2 3.94Å; V579-E628 HydrophobicContact CG2-CB 4.28Å; V579-E628 HydrophobicContact CG2-CG 4.15Å; V579-L632 HydrophobicContact CG2-CD1 4.34Å; V579-L632 HydrophobicContact CG2-CD2 4.03Å
580L98.6Very high97.4Very high3 Ų342.9 Ų42.92%0.01622%0.223CC..Hα-helixtrans-65.6-39.8177.2-68.2170.9000112.1M27 F30 Y356 F563 T567 M572 L576 K577 K582 L583 C584M27-L580 HydrophobicContact CE-CD1 4.33Å; M27-L580 HydrophobicContact CE-CD2 3.88Å; M27-L580 HydrophobicContact CE-CG 3.9Å; M27-L580 HydrophobicContact SD-CD1 4.27Å; M27-L580 HydrophobicContact SD-CD2 3.92Å; M27-L580 HydrophobicContact SD-CG 4.28Å; F30-L580 HydrophobicContact CD1-CD1 4.4Å; F30-L580 HydrophobicContact CE1-CD1 3.87Å; Y356-L580 HydrophobicContact CD1-CD2 4.12Å; F563-L580 WeakPolarHBondContact CE1-O 3.34Å; F563-L580 HydrophobicContact CE2-CD2 4.48Å; F563-L580 HydrophobicContact CZ-CB 4.5Å; F563-L580 HydrophobicContact CZ-CD2 3.86Å; T567-L580 HydrophobicContact CG2-CB 3.99Å; M572-L580 HydrophobicContact CE-CD1 3.69Å; M572-L580 HydrophobicContact SD-CD1 3.56Å; M572-L580 VanDerWaalsContact SD-CD1 3.56Å; L576-L580 HydrophobicContact CB-CD1 3.99Å; L576-L580 WeakPolarHBondContact O-CG 3.37Å; L576-L580 PolarHBondContact O-N 2.64Å; K577-L580 PolarHBondContact O-N 2.69Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 2.9Å; L580-L583 HydrophobicContact CD2-CD1 4.32Å; L580-L583 PolarHBondContact O-N 3.11Å; L580-C584 WeakPolarHBondContact O-CB 3.4Å; L580-C584 PolarHBondContact O-N 2.61Å
581R98.4Very high97.7Very high51 Ų5134 Ų3419%0.19218%0.182CC..Hα-helixtrans-61.7-40.6173.4-77.6-173.172.881-4.4112E502 E504 T567 K577 C584 A585E502-R581 IonicContact OE2-CZ 2.84Å; E502-R581 IonicContact OE2-NH2 2.73Å; E502-R581 PolarHBondContact OE2-NH2 3.34Å; E504-R581 IonicContact OE1-NH2 3.83Å; E504-R581 IonicContact OE2-NH2 3.29Å; E504-R581 PolarHBondContact OE2-NH2 3.21Å; T567-R581 HydrophobicContact CG2-CG 4.38Å; K577-R581 HydrophobicContact CG-CG 4.32Å; K577-R581 WeakPolarHBondContact O-CB 3.48Å; K577-R581 WeakPolarHBondContact O-CG 3.24Å; K577-R581 PolarHBondContact O-N 3.41Å; R581-C584 WeakPolarHBondContact O-CB 3.4Å; R581-C584 PolarHBondContact O-N 3.46Å; R581-A585 WeakPolarHBondContact O-CB 3.21Å; R581-A585 PolarHBondContact O-N 2.9Å
582K98.8Very high97.9Very high68 Ų6827.2 Ų27.230%0.29615%0.146SC..Hα-helixtrans-64.6-39.7175.5-70178.4-165.9-166.70112.4P578 V579 L580 C584 A585 L586 L621 E624 L625P578-K582 WeakPolarHBondContact O-CG 3.43Å; P578-K582 PolarHBondContact O-N 3.02Å; P578-K582 VanDerWaalsContact O-N 3.16Å; V579-K582 PolarHBondContact O-N 3.47Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 2.9Å; K582-C584 VanDerWaalsContact C-N 3.34Å; K582-A585 PolarHBondContact O-N 3.3Å; K582-L586 VanDerWaalsContact O-CB 3.3Å; K582-L586 WeakPolarHBondContact O-CB 3.33Å; K582-L586 PolarHBondContact O-N 3.41Å; K582-L621 HydrophobicContact CB-CD2 3.93Å; K582-L621 HydrophobicContact CG-CD2 4.03Å; K582-E624 WeakPolarHBondContact CE-OE2 3.17Å; K582-E624 IonicContact NZ-OE2 3.46Å; K582-E624 PolarHBondContact NZ-OE2 3.38Å; K582-L625 HydrophobicContact CB-CD1 4.25Å; K582-L625 HydrophobicContact CB-CD2 3.95Å; K582-L625 HydrophobicContact CB-CG 4.18Å
583L98.9Very high98Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-63.8-41.3173.6-65.9169.2000111.2A353 Y356 F563 V579 L580 L586 Y587 L625 L632A353-L583 HydrophobicContact CB-CB 4.39Å; A353-L583 HydrophobicContact CB-CD2 3.97Å; Y356-L583 HydrophobicContact CD1-CD1 4.02Å; Y356-L583 HydrophobicContact CD2-CD1 4.04Å; Y356-L583 HydrophobicContact CE1-CD1 4.44Å; Y356-L583 HydrophobicContact CE2-CD1 4.48Å; Y356-L583 HydrophobicContact CG-CD1 3.79Å; F563-L583 HydrophobicContact CE1-CB 4.25Å; V579-L583 WeakPolarHBondContact O-CG 3.42Å; V579-L583 PolarHBondContact O-N 2.86Å; L580-L583 HydrophobicContact CD2-CD1 4.32Å; L580-L583 PolarHBondContact O-N 3.11Å; L583-L586 PolarHBondContact O-N 3.27Å; L583-Y587 WeakPolarHBondContact O-CB 3.4Å; L583-Y587 PolarHBondContact O-N 2.87Å; L583-L625 HydrophobicContact CD2-CD1 3.95Å; L583-L625 HydrophobicContact CD2-CD2 3.98Å; L583-L625 HydrophobicContact CG-CD2 4.22Å; L583-L632 HydrophobicContact CD1-CD1 4.47Å; L583-L632 HydrophobicContact CD1-CD2 3.91Å; L583-L632 HydrophobicContact CD2-CD1 4.07Å
584C98.8Very high98.1Very high0 Ų030.9 Ų30.90%017%0.166CC..Hα-helixtrans-59-51.4175.8-167.70000111.3P503 F563 T567 L580 R581 K582 L586 Y587 G588P503-C584 HydrophobicContact CB-CB 4.42Å; P503-C584 HydrophobicContact CG-CB 4.01Å; F563-C584 HydrophobicContact CD1-CB 3.55Å; F563-C584 HydrophobicContact CE1-CB 3.79Å; T567-C584 HydrophobicContact CG2-CB 4.31Å; L580-C584 WeakPolarHBondContact O-CB 3.4Å; L580-C584 PolarHBondContact O-N 2.61Å; R581-C584 WeakPolarHBondContact O-CB 3.4Å; R581-C584 PolarHBondContact O-N 3.46Å; K582-C584 VanDerWaalsContact C-N 3.34Å; C584-L586 PolarHBondContact O-N 3.03Å; C584-Y587 PolarHBondContact O-N 3.34Å; C584-G588 PolarHBondContact O-N 3.37Å
585A98.8Very high98.2Very high1 Ų127.8 Ų27.81%0.00814%0.141CC..Hα-helixtrans-61.4-44.817800000112.3M501 P503 R581 K582 G588 L589 L621M501-A585 WeakPolarHBondContact O-CB 3.22Å; P503-A585 HydrophobicContact CG-CB 4.31Å; R581-A585 WeakPolarHBondContact O-CB 3.21Å; R581-A585 PolarHBondContact O-N 2.9Å; K582-A585 PolarHBondContact O-N 3.3Å; A585-G588 PolarHBondContact O-N 2.9Å; A585-L589 WeakPolarHBondContact O-CB 3.46Å; A585-L589 WeakPolarHBondContact O-CG 3.37Å; A585-L589 PolarHBondContact O-N 3.28Å; A585-L621 HydrophobicContact CB-CD1 3.9Å; A585-L621 HydrophobicContact CB-CD2 4.34Å
586L98.9Very high98.2Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-63.9-48.1-179.4178.358.3000110.9I349 P350 A353 K582 L583 C584 W590 I618 L621 L625I349-L586 HydrophobicContact CB-CD2 4.45Å; I349-L586 HydrophobicContact CG2-CD2 3.66Å; P350-L586 HydrophobicContact CG-CD1 4.35Å; P350-L586 HydrophobicContact CG-CD2 4.44Å; A353-L586 HydrophobicContact CB-CB 4.24Å; A353-L586 HydrophobicContact CB-CD2 4.11Å; A353-L586 HydrophobicContact CB-CG 4.18Å; K582-L586 VanDerWaalsContact O-CB 3.3Å; K582-L586 WeakPolarHBondContact O-CB 3.33Å; K582-L586 PolarHBondContact O-N 3.41Å; L583-L586 PolarHBondContact O-N 3.27Å; C584-L586 PolarHBondContact O-N 3.03Å; L586-W590 WeakPolarHBondContact O-CB 3.38Å; L586-W590 PolarHBondContact O-N 3.36Å; L586-I618 HydrophobicContact CD1-CB 4.46Å; L586-I618 HydrophobicContact CD1-CG2 3.97Å; L586-L621 HydrophobicContact CB-CB 4.17Å; L586-L621 HydrophobicContact CB-CD1 4.1Å; L586-L621 HydrophobicContact CD1-CB 4.06Å; L586-L625 HydrophobicContact CB-CD1 4.22Å; L586-L625 HydrophobicContact CD2-CD1 3.6Å
587Y98.9Very high98.2Very high3 Ų328 Ų281%0.01215%0.153CC..Hα-helixtrans-58.7-51.1177.1173.4-98000110.8A354 V357 C559 L560 L583 C584 L589 W590 S591A354-Y587 HydrophobicContact CB-CD2 3.85Å; A354-Y587 HydrophobicContact CB-CE2 3.99Å; V357-Y587 HydrophobicContact CB-CD1 4.11Å; V357-Y587 HydrophobicContact CB-CD2 4.3Å; V357-Y587 HydrophobicContact CB-CE1 4.37Å; V357-Y587 HydrophobicContact CB-CG 4.07Å; V357-Y587 HydrophobicContact CG1-CD1 3.76Å; V357-Y587 HydrophobicContact CG1-CE1 3.64Å; V357-Y587 HydrophobicContact CG1-CE2 4.42Å; V357-Y587 HydrophobicContact CG1-CG 4.22Å; V357-Y587 HydrophobicContact CG2-CD1 3.8Å; V357-Y587 HydrophobicContact CG2-CD2 4.31Å; V357-Y587 HydrophobicContact CG2-CG 3.67Å; C559-Y587 HydrophobicContact CB-CE1 4.31Å; L560-Y587 HydrophobicContact CB-CD1 4.46Å; L560-Y587 HydrophobicContact CB-CE1 4.26Å; L560-Y587 HydrophobicContact CD1-CD1 4.16Å; L583-Y587 WeakPolarHBondContact O-CB 3.4Å; L583-Y587 PolarHBondContact O-N 2.87Å; C584-Y587 PolarHBondContact O-N 3.34Å; Y587-L589 PolarHBondContact O-N 2.96Å; Y587-W590 HydrophobicContact CD2-CE3 4.44Å; Y587-W590 HydrophobicContact CD2-CZ3 4.5Å; Y587-W590 PolarHBondContact O-N 3.25Å; Y587-S591 WeakPolarHBondContact O-CB 3.49Å; Y587-S591 PolarHBondContact O-N 2.82Å; Y587-S591 PolarHBondContact O-OG 3.48Å
588G98.6Very high98.2Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-59.7-46-177.200000113.1C584 A585 S591 L592C584-G588 PolarHBondContact O-N 3.37Å; A585-G588 PolarHBondContact O-N 2.9Å; G588-S591 PolarHBondContact O-OG 3.49Å; G588-L592 WeakPolarHBondContact O-CB 3.47Å; G588-L592 PolarHBondContact O-N 2.93Å
589L98.8Very high98.2Very high0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-71.1-41.5178.3-67.2173.7000112.6C500 A585 Y587 L592 S593 V614 T617 I618 L621C500-L589 WeakPolarHBondContact O-CD1 3.43Å; A585-L589 WeakPolarHBondContact O-CB 3.46Å; A585-L589 WeakPolarHBondContact O-CG 3.37Å; A585-L589 PolarHBondContact O-N 3.28Å; Y587-L589 PolarHBondContact O-N 2.96Å; L589-L592 PolarHBondContact O-N 2.98Å; L589-S593 WeakPolarHBondContact O-CB 3.38Å; L589-S593 PolarHBondContact O-N 2.87Å; L589-V614 HydrophobicContact CB-CG1 4.44Å; L589-V614 HydrophobicContact CD2-CG1 4.43Å; L589-V614 HydrophobicContact CD2-CG2 4.32Å; L589-T617 HydrophobicContact CD1-CG2 3.37Å; L589-I618 HydrophobicContact CB-CD1 4.21Å; L589-I618 HydrophobicContact CB-CG1 3.83Å; L589-L621 HydrophobicContact CD1-CD1 4.05Å
590W98.6Very high98.2Very high38 Ų3825.6 Ų25.614%0.14414%0.138CC..Hα-helixtrans-64.6-45.4179.5170.472.6000111.6P350 Y351 A354 L586 Y587 S593 N594P350-W590 HydrophobicContact CB-CB 4.18Å; P350-W590 HydrophobicContact CB-CD2 3.48Å; P350-W590 VanDerWaalsContact CB-CD2 3.48Å; P350-W590 HydrophobicContact CB-CE3 4.02Å; P350-W590 HydrophobicContact CB-CG 3.54Å; P350-W590 HydrophobicContact CB-CZ2 4.26Å; P350-W590 HydrophobicContact CG-CG 4.16Å; Y351-W590 AromaticContact CD1-CH2 3.92Å; Y351-W590 HydrophobicContact CD1-CH2 3.92Å; Y351-W590 HydrophobicContact CD1-CZ2 4.36Å; Y351-W590 AromaticContact CE1-CH2 3.6Å; Y351-W590 HydrophobicContact CE1-CH2 3.6Å; Y351-W590 AromaticContact CE1-CZ2 3.85Å; Y351-W590 HydrophobicContact CE1-CZ2 3.85Å; Y351-W590 HydrophobicContact CE2-CZ2 4.28Å; Y351-W590 AromaticContact CZ-CZ2 3.79Å; A354-W590 HydrophobicContact CB-CZ3 4.18Å; L586-W590 WeakPolarHBondContact O-CB 3.38Å; L586-W590 PolarHBondContact O-N 3.36Å; Y587-W590 HydrophobicContact CD2-CE3 4.44Å; Y587-W590 HydrophobicContact CD2-CZ3 4.5Å; Y587-W590 PolarHBondContact O-N 3.25Å; W590-S593 WeakPolarHBondContact O-CB 3.48Å; W590-S593 PolarHBondContact O-N 3.19Å; W590-S593 PolarHBondContact O-OG 3.31Å; W590-N594 PolarHBondContact O-ND2 2.92Å
591S98.3Very high98.1Very high4 Ų431.9 Ų31.93%0.02817%0.167CC..Hα-helixtrans-65.8-45.3176.564.70000111.1Y510 Y587 G588 S593 N594Y510-S591 VanDerWaalsContact OH-CB 3.3Å; Y510-S591 WeakPolarHBondContact OH-CB 3.28Å; Y510-S591 PolarHBondContact OH-OG 3.46Å; Y587-S591 WeakPolarHBondContact O-CB 3.49Å; Y587-S591 PolarHBondContact O-N 2.82Å; Y587-S591 PolarHBondContact O-OG 3.48Å; G588-S591 PolarHBondContact O-OG 3.49Å; S591-S593 PolarHBondContact O-N 3.49Å; S591-N594 WeakPolarHBondContact O-CB 3.39Å; S591-N594 PolarHBondContact O-N 3.28Å; S591-N594 PolarHBondContact O-ND2 2.87Å; S591-N594 VanDerWaalsContact O-ND2 3.1Å
592L97.9Very high97.9Very high1 Ų130.2 Ų30.21%0.00517%0.166CC..Hα-helixtrans-60-31.4177.9-172.472.3000112.4A509 Y510 L513 G588 L589 N594 H595 L599A509-L592 HydrophobicContact CB-CD1 4.08Å; A509-L592 HydrophobicContact CB-CD2 3.56Å; A509-L592 HydrophobicContact CB-CG 4.47Å; Y510-L592 HydrophobicContact CD1-CD1 4.36Å; Y510-L592 HydrophobicContact CD2-CD1 4.07Å; Y510-L592 HydrophobicContact CE1-CD1 4.25Å; Y510-L592 HydrophobicContact CE2-CB 4Å; Y510-L592 HydrophobicContact CE2-CD1 3.94Å; Y510-L592 HydrophobicContact CG-CD1 4.27Å; Y510-L592 PolarHBondContact OH-N 3.47Å; L513-L592 HydrophobicContact CD2-CD1 4.32Å; G588-L592 WeakPolarHBondContact O-CB 3.47Å; G588-L592 PolarHBondContact O-N 2.93Å; L589-L592 PolarHBondContact O-N 2.98Å; L592-N594 PolarHBondContact O-N 3Å; L592-N594 VanDerWaalsContact O-N 3.1Å; L592-H595 WeakPolarHBondContact O-CA 3.47Å; L592-H595 PolarHBondContact O-N 3.35Å; L592-L599 HydrophobicContact CD1-CD1 3.86Å; L592-L599 HydrophobicContact CD2-CD1 4.24Å; L592-L599 HydrophobicContact CG-CD1 3.89Å
593S97.5Very high97.8Very high43 Ų4331.6 Ų31.630%0.30118%0.177SC..Hα-helixtrans-58.5-25.6179.779.10000113.4L589 W590 S591 H595 M596L589-S593 WeakPolarHBondContact O-CB 3.38Å; L589-S593 PolarHBondContact O-N 2.87Å; W590-S593 WeakPolarHBondContact O-CB 3.48Å; W590-S593 PolarHBondContact O-N 3.19Å; W590-S593 PolarHBondContact O-OG 3.31Å; S591-S593 PolarHBondContact O-N 3.49Å; S593-H595 PolarHBondContact O-N 3.41Å; S593-M596 WeakPolarHBondContact O-CG 3.4Å
594N97.2Very high97.8Very high102 Ų10231.8 Ų31.855%0.54518%0.178SC..THydrogen-bonded Turntrans-71.1-15.2174.8-61.6-65.5000113.3W590 S591 L592W590-N594 PolarHBondContact O-ND2 2.92Å; S591-N594 WeakPolarHBondContact O-CB 3.39Å; S591-N594 PolarHBondContact O-N 3.28Å; S591-N594 PolarHBondContact O-ND2 2.87Å; S591-N594 VanDerWaalsContact O-ND2 3.1Å; L592-N594 PolarHBondContact O-N 3Å; L592-N594 VanDerWaalsContact O-N 3.1Å
595H97.8Very high97.8Very high23 Ų2331.9 Ų31.911%0.10618%0.178CC..THydrogen-bonded Turntrans-111.17.2-175.9-54.8-69.3000113.3L513 E556 L592 S593 A597 T598 L599L513-H595 HydrophobicContact CD2-CB 3.59Å; E556-H595 IonicContact OE1-NE2 3.45Å; E556-H595 PolarHBondContact OE1-NE2 3.14Å; E556-H595 IonicContact OE2-CD2 2.73Å; E556-H595 PolarHBondContact OE2-CD2 3.27Å; E556-H595 IonicContact OE2-CE1 3.62Å; E556-H595 IonicContact OE2-NE2 3.91Å; E556-H595 PolarHBondContact OE2-NE2 3.26Å; L592-H595 WeakPolarHBondContact O-CA 3.47Å; L592-H595 PolarHBondContact O-N 3.35Å; S593-H595 PolarHBondContact O-N 3.41Å; H595-A597 PolarHBondContact O-N 2.86Å; H595-T598 WeakPolarHBondContact O-CB 3.37Å; H595-T598 PolarHBondContact O-N 3.23Å; H595-L599 PolarHBondContact O-N 3.1Å; H595-L599 VanDerWaalsContact O-N 3.12Å
596M96.2Very high97.7Very high27 Ų2736.7 Ų36.713%0.13321%0.207CC..Hα-helixtrans-54.6-40-176.6-69.3-68.8-61.700112.8S593 T598 L599 F600 M605 A611S593-M596 WeakPolarHBondContact O-CG 3.4Å; M596-T598 VanDerWaalsContact C-N 3.29Å; M596-T598 PolarHBondContact O-N 3.43Å; M596-L599 PolarHBondContact O-N 2.98Å; M596-L599 HydrophobicContact SD-CD1 4.09Å; M596-F600 HydrophobicContact CE-CE2 3.72Å; M596-F600 HydrophobicContact CE-CZ 4.4Å; M596-F600 WeakPolarHBondContact O-CD2 3.3Å; M596-F600 PolarHBondContact O-N 3.36Å; M596-M605 HydrophobicContact CE-CE 4Å; M596-M605 HydrophobicContact CE-SD 3.26Å; M596-M605 WeakPolarHBondContact CE-SD 3.39Å; M596-M605 HydrophobicContact SD-CE 3.86Å; M596-M605 HydrophobicContact SD-SD 3.68Å; M596-M605 VanDerWaalsContact SD-SD 3.68Å; M596-A611 HydrophobicContact CE-CB 3.67Å
597A97.2Very high97.5Very high79 Ų7939.1 Ų39.165%0.65323%0.232SC*.Hα-helixtrans-57.1-42.7177.900000112.1H595 F600 Q601H595-A597 PolarHBondContact O-N 2.86Å; A597-F600 PolarHBondContact O-N 3.5Å; A597-Q601 WeakPolarHBondContact O-CB 3.42Å; A597-Q601 PolarHBondContact O-N 3.47Å
598T97.4Very high97.4Very high28 Ų2848 Ų4817%0.17227%0.266CS..Hα-helixtrans-70.3-38.8178.3-48.10000111.8L513 F516 L517 H595 M596 F600 Q601 G602L513-T598 HydrophobicContact CD1-CG2 3.61Å; F516-T598 HydrophobicContact CD1-CG2 3.97Å; F516-T598 HydrophobicContact CE1-CG2 3.84Å; L517-T598 HydrophobicContact CD2-CG2 4.05Å; L517-T598 HydrophobicContact CG-CG2 4.41Å; H595-T598 WeakPolarHBondContact O-CB 3.37Å; H595-T598 PolarHBondContact O-N 3.23Å; M596-T598 VanDerWaalsContact C-N 3.29Å; M596-T598 PolarHBondContact O-N 3.43Å; T598-F600 VanDerWaalsContact C-N 3.28Å; T598-F600 PolarHBondContact O-N 3.42Å; T598-Q601 PolarHBondContact O-N 3.43Å; T598-G602 PolarHBondContact O-N 3.48Å; T598-G602 VanDerWaalsContact O-N 3.12Å
599L98.2Very high97.3Very high0 Ų053.6 Ų53.60%029%0.29CS..Hα-helixtrans-62-35.7175.6-65.1171.2000112.1W512 L513 L592 H595 M596 Y604 M605W512-L599 HydrophobicContact CE3-CD2 3.66Å; W512-L599 HydrophobicContact CZ3-CD2 3.8Å; L513-L599 HydrophobicContact CB-CD2 3.92Å; L513-L599 HydrophobicContact CD1-CD2 4.09Å; L513-L599 HydrophobicContact CD2-CD2 4.34Å; L513-L599 HydrophobicContact CG-CD2 4.34Å; L592-L599 HydrophobicContact CD1-CD1 3.86Å; L592-L599 HydrophobicContact CD2-CD1 4.24Å; L592-L599 HydrophobicContact CG-CD1 3.89Å; H595-L599 PolarHBondContact O-N 3.1Å; H595-L599 VanDerWaalsContact O-N 3.12Å; M596-L599 PolarHBondContact O-N 2.98Å; M596-L599 HydrophobicContact SD-CD1 4.09Å; L599-Y604 HydrophobicContact CB-CD1 4.42Å; L599-Y604 HydrophobicContact CD2-CD1 3.83Å; L599-Y604 HydrophobicContact CD2-CG 4.41Å; L599-Y604 WeakPolarHBondContact O-CB 3.49Å; L599-Y604 PolarHBondContact O-N 3.49Å; L599-M605 HydrophobicContact CB-CG 4.32Å; L599-M605 HydrophobicContact CB-SD 3.98Å; L599-M605 HydrophobicContact CD1-CE 3.83Å; L599-M605 HydrophobicContact CD1-SD 3.99Å; L599-M605 PolarHBondContact O-N 3.17Å
600F98Very high97.2Very high66 Ų6654.1 Ų54.129%0.28929%0.294SS..Hα-helixtrans-74.1-39.2171.5-80.2-70.5000112.5M596 A597 T598 G602 D603 M605 G607 A611M596-F600 HydrophobicContact CE-CE2 3.72Å; M596-F600 HydrophobicContact CE-CZ 4.4Å; M596-F600 WeakPolarHBondContact O-CD2 3.3Å; M596-F600 PolarHBondContact O-N 3.36Å; A597-F600 PolarHBondContact O-N 3.5Å; T598-F600 VanDerWaalsContact C-N 3.28Å; T598-F600 PolarHBondContact O-N 3.42Å; F600-G602 VanDerWaalsContact C-N 3.32Å; F600-G602 PolarHBondContact O-N 2.89Å; F600-D603 PolarHBondContact O-N 2.97Å; F600-D603 VanDerWaalsContact O-N 3.08Å; F600-M605 HydrophobicContact CD1-CB 3.78Å; F600-M605 WeakPolarHBondContact CD1-O 3.21Å; F600-M605 HydrophobicContact CD2-CB 4.45Å; F600-M605 HydrophobicContact CE1-CB 3.56Å; F600-M605 HydrophobicContact CE2-CB 4.28Å; F600-M605 HydrophobicContact CE2-SD 4.37Å; F600-M605 HydrophobicContact CG-CB 4.21Å; F600-M605 HydrophobicContact CZ-CB 3.82Å; F600-M605 HydrophobicContact CZ-SD 4.5Å; F600-G607 WeakPolarHBondContact CE1-O 3.32Å; F600-G607 WeakPolarHBondContact CZ-O 3.41Å; F600-A611 HydrophobicContact CE2-CB 4.13Å; F600-A611 HydrophobicContact CZ-CB 4.14Å
601Q96.6Very high97.1Very high135 Ų13553.3 Ų53.363%0.63130%0.295SS*.Hα-helixtrans-60.2-38.9-179-179-175.8-2100113A597 T598 D603A597-Q601 WeakPolarHBondContact O-CB 3.42Å; A597-Q601 PolarHBondContact O-N 3.47Å; T598-Q601 PolarHBondContact O-N 3.43Å; Q601-D603 VanDerWaalsContact C-N 3.34Å
602G95.5Very high97.1Very high16 Ų1655.9 Ų55.917%0.16531%0.307CS..THydrogen-bonded Turntrans-94.518.4175.600000114.2W512 T598 F600 Y604W512-G602 WeakPolarHBondContact CZ2-O 3.44Å; T598-G602 PolarHBondContact O-N 3.48Å; T598-G602 VanDerWaalsContact O-N 3.12Å; F600-G602 VanDerWaalsContact C-N 3.32Å; F600-G602 PolarHBondContact O-N 2.89Å; G602-Y604 PolarHBondContact O-N 2.92Å; G602-Y604 VanDerWaalsContact O-N 3.17Å
603D96.7Very high97.1Very high98 Ų9856 Ų5652%0.52431%0.307SS..THydrogen-bonded Turntrans6218.5175.8-61.1-47000115.7K491 F600 Q601 M605K491-D603 WeakPolarHBondContact CD-O 3.32Å; K491-D603 WeakPolarHBondContact CE-O 3.42Å; K491-D603 PolarHBondContact NZ-O 2.93Å; F600-D603 PolarHBondContact O-N 2.97Å; F600-D603 VanDerWaalsContact O-N 3.08Å; Q601-D603 VanDerWaalsContact C-N 3.34Å; D603-M605 VanDerWaalsContact C-N 3.33Å
604Y98.2Very high97.1Very high4 Ų454.1 Ų54.12%0.01629%0.294CS..SBendtrans-64.5-43171.5-178.9-112.5000111.5F492 A509 W512 L599 G602F492-Y604 HydrophobicContact CB-CD1 4.23Å; F492-Y604 HydrophobicContact CB-CE1 3.86Å; F492-Y604 AromaticContact CD2-CE1 3.9Å; F492-Y604 HydrophobicContact CD2-CE1 3.9Å; F492-Y604 HydrophobicContact CG-CE1 4.4Å; F492-Y604 PolarHBondContact N-O 2.96Å; A509-Y604 HydrophobicContact CB-CD1 4.49Å; A509-Y604 HydrophobicContact CB-CE1 3.55Å; A509-Y604 PolarHBondContact N-OH 3.25Å; W512-Y604 HydrophobicContact CB-CD2 3.87Å; W512-Y604 HydrophobicContact CB-CE2 3.9Å; W512-Y604 HydrophobicContact CB-CG 4.48Å; W512-Y604 AromaticContact CD1-CD2 3.32Å; W512-Y604 AromaticContact CD1-CE2 3.96Å; W512-Y604 AromaticContact CD2-CD2 3.65Å; W512-Y604 HydrophobicContact CD2-CD2 3.65Å; W512-Y604 AromaticContact CD2-CG 3.7Å; W512-Y604 HydrophobicContact CD2-CG 3.7Å; W512-Y604 HydrophobicContact CE3-CD1 4.49Å; W512-Y604 HydrophobicContact CE3-CD2 4.28Å; W512-Y604 AromaticContact CE3-CG 3.88Å; W512-Y604 HydrophobicContact CE3-CG 3.88Å; W512-Y604 AromaticContact CG-CD2 3.34Å; W512-Y604 HydrophobicContact CG-CD2 3.34Å; W512-Y604 AromaticContact CG-CE2 3.88Å; W512-Y604 HydrophobicContact CG-CE2 3.88Å; W512-Y604 AromaticContact CG-CG 3.89Å; W512-Y604 HydrophobicContact CG-CG 3.89Å; W512-Y604 HydrophobicContact CZ3-CG 4.49Å; W512-Y604 AromaticContact NE1-CD2 3.79Å; L599-Y604 HydrophobicContact CB-CD1 4.42Å; L599-Y604 HydrophobicContact CD2-CD1 3.83Å; L599-Y604 HydrophobicContact CD2-CG 4.41Å; L599-Y604 WeakPolarHBondContact O-CB 3.49Å; L599-Y604 PolarHBondContact O-N 3.49Å; G602-Y604 PolarHBondContact O-N 2.92Å; G602-Y604 VanDerWaalsContact O-N 3.17Å
605M97.9Very high97.2Very high2 Ų255.2 Ų55.21%0.0130%0.296CS..SBendtrans-106.6140.4171.9-70.3174.9173.900109.4F492 M596 L599 F600 D603 P610 V614F492-M605 HydrophobicContact CB-CG 3.84Å; F492-M605 HydrophobicContact CD2-CE 3.37Å; F492-M605 HydrophobicContact CD2-CG 4.35Å; F492-M605 HydrophobicContact CE2-CE 3.58Å; F492-M605 HydrophobicContact CG-CE 4.04Å; F492-M605 HydrophobicContact CG-CG 4.15Å; F492-M605 HydrophobicContact CZ-CE 4.39Å; M596-M605 HydrophobicContact CE-CE 4Å; M596-M605 HydrophobicContact CE-SD 3.26Å; M596-M605 WeakPolarHBondContact CE-SD 3.39Å; M596-M605 HydrophobicContact SD-CE 3.86Å; M596-M605 HydrophobicContact SD-SD 3.68Å; M596-M605 VanDerWaalsContact SD-SD 3.68Å; L599-M605 HydrophobicContact CB-CG 4.32Å; L599-M605 HydrophobicContact CB-SD 3.98Å; L599-M605 HydrophobicContact CD1-CE 3.83Å; L599-M605 HydrophobicContact CD1-SD 3.99Å; L599-M605 PolarHBondContact O-N 3.17Å; F600-M605 HydrophobicContact CD1-CB 3.78Å; F600-M605 WeakPolarHBondContact CD1-O 3.21Å; F600-M605 HydrophobicContact CD2-CB 4.45Å; F600-M605 HydrophobicContact CE1-CB 3.56Å; F600-M605 HydrophobicContact CE2-CB 4.28Å; F600-M605 HydrophobicContact CE2-SD 4.37Å; F600-M605 HydrophobicContact CG-CB 4.21Å; F600-M605 HydrophobicContact CZ-CB 3.82Å; F600-M605 HydrophobicContact CZ-SD 4.5Å; D603-M605 VanDerWaalsContact C-N 3.33Å; M605-P610 HydrophobicContact CB-CB 4.04Å; M605-P610 HydrophobicContact CB-CG 4.19Å; M605-P610 HydrophobicContact CE-CB 4.33Å; M605-P610 HydrophobicContact CG-CB 3.73Å; M605-P610 HydrophobicContact CG-CG 4.27Å; M605-P610 HydrophobicContact SD-CB 3.91Å; M605-V614 HydrophobicContact CE-CG2 4.36Å
606T96.6Very high97.2Very high101 Ų10158.6 Ų58.662%0.6231%0.314SS*.  trans-138.1139.4177.3-50.20000110
607G95.9Very high97.3Very high51 Ų5157.3 Ų57.353%0.52631%0.308SS..SBendtrans71.9-170.8-177.900000113.8F600F600-G607 WeakPolarHBondContact CE1-O 3.32Å; F600-G607 WeakPolarHBondContact CZ-O 3.41Å
608R96.3Very high97.4Very high191 Ų19153.9 Ų53.972%0.72128%0.278SS*.SBendtrans-81.9-29.2-170.9-174.6173.5168.6-176.9-13.2113.9A611 E612R608-A611 PolarHBondContact O-N 3.48Å; R608-E612 HydrophobicContact CG-CG 3.95Å; R608-E612 IonicContact CZ-OE1 2.63Å; R608-E612 IonicContact NE-OE1 3.63Å; R608-E612 PolarHBondContact NE-OE1 3.37Å; R608-E612 IonicContact NH2-OE1 3.56Å; R608-E612 PolarHBondContact NH2-OE1 2.88Å; R608-E612 PolarHBondContact O-N 3.47Å
609K96.3Very high97.5Very high116 Ų11654.7 Ų54.750%0.50428%0.282SS..Hα-helixtrans-61.6-44.5-167-173.666.3176.7179.10114.5A611 E612 L613K609-A611 PolarHBondContact O-N 3.3Å; K609-E612 PolarHBondContact O-N 3.11Å; K609-L613 HydrophobicContact CD-CD1 4.41Å; K609-L613 HydrophobicContact CD-CG 4.25Å; K609-L613 HydrophobicContact CG-CD1 4.03Å; K609-L613 HydrophobicContact CG-CG 4.32Å; K609-L613 WeakPolarHBondContact O-CG 3.31Å; K609-L613 PolarHBondContact O-N 3.3Å
610P97Very high97.5Very high12 Ų1260.9 Ų60.98%0.07831%0.305CS..Hα-helixtrans-59-44.4179.7-27.637.2000113.3F492 M605 L613 V614F492-P610 HydrophobicContact CD1-CB 3.63Å; F492-P610 HydrophobicContact CD1-CG 3.9Å; F492-P610 HydrophobicContact CE1-CB 3.86Å; F492-P610 HydrophobicContact CE1-CG 4.45Å; F492-P610 HydrophobicContact CG-CB 4.08Å; F492-P610 HydrophobicContact CG-CG 4.47Å; F492-P610 HydrophobicContact CZ-CB 4.5Å; M605-P610 HydrophobicContact CB-CB 4.04Å; M605-P610 HydrophobicContact CB-CG 4.19Å; M605-P610 HydrophobicContact CE-CB 4.33Å; M605-P610 HydrophobicContact CG-CB 3.73Å; M605-P610 HydrophobicContact CG-CG 4.27Å; M605-P610 HydrophobicContact SD-CB 3.91Å; P610-L613 PolarHBondContact O-N 2.82Å; P610-V614 WeakPolarHBondContact O-CG2 3.44Å; P610-V614 PolarHBondContact O-N 3.49Å
611A96.8Very high97.5Very high21 Ų2157.8 Ų57.817%0.17429%0.292CS..Hα-helixtrans-64.7-42.1179.300000112.3M596 F600 R608 K609 V614 Q615M596-A611 HydrophobicContact CE-CB 3.67Å; F600-A611 HydrophobicContact CE2-CB 4.13Å; F600-A611 HydrophobicContact CZ-CB 4.14Å; R608-A611 PolarHBondContact O-N 3.48Å; K609-A611 PolarHBondContact O-N 3.3Å; A611-V614 PolarHBondContact O-N 3.33Å; A611-Q615 WeakPolarHBondContact O-CB 3.34Å; A611-Q615 VanDerWaalsContact O-CG 3.25Å; A611-Q615 WeakPolarHBondContact O-CG 3.39Å; A611-Q615 PolarHBondContact O-N 3.42Å
612E97.7Very high97.7Very high57 Ų5751.4 Ų51.427%0.26626%0.261SS..Hα-helixtrans-63-42.6175.4-69.6-176146.400112.1R608 K609 Q615 L616R608-E612 HydrophobicContact CG-CG 3.95Å; R608-E612 IonicContact CZ-OE1 2.63Å; R608-E612 IonicContact NE-OE1 3.63Å; R608-E612 PolarHBondContact NE-OE1 3.37Å; R608-E612 IonicContact NH2-OE1 3.56Å; R608-E612 PolarHBondContact NH2-OE1 2.88Å; R608-E612 PolarHBondContact O-N 3.47Å; K609-E612 PolarHBondContact O-N 3.11Å; E612-Q615 PolarHBondContact O-N 2.86Å; E612-L616 VanDerWaalsContact O-CB 3.32Å; E612-L616 WeakPolarHBondContact O-CB 3.38Å; E612-L616 WeakPolarHBondContact O-CG 3.42Å; E612-L616 PolarHBondContact O-N 3.09Å
613L98.1Very high97.8Very high4 Ų453.2 Ų53.22%0.02127%0.272CS..Hα-helixtrans-60.4-51.3177.2-75174000110.8F492 A494 V497 K609 P610 Q615 L616 T617F492-L613 HydrophobicContact CE1-CD1 4.29Å; A494-L613 VanDerWaalsContact O-CD1 3.3Å; A494-L613 WeakPolarHBondContact O-CD1 3.45Å; V497-L613 HydrophobicContact CG2-CD2 4.29Å; K609-L613 HydrophobicContact CD-CD1 4.41Å; K609-L613 HydrophobicContact CD-CG 4.25Å; K609-L613 HydrophobicContact CG-CD1 4.03Å; K609-L613 HydrophobicContact CG-CG 4.32Å; K609-L613 WeakPolarHBondContact O-CG 3.31Å; K609-L613 PolarHBondContact O-N 3.3Å; P610-L613 PolarHBondContact O-N 2.82Å; L613-Q615 VanDerWaalsContact C-N 3.32Å; L613-Q615 PolarHBondContact O-N 2.77Å; L613-L616 PolarHBondContact O-N 2.92Å; L613-T617 VanDerWaalsContact O-CB 3.31Å; L613-T617 WeakPolarHBondContact O-CB 3.38Å; L613-T617 PolarHBondContact O-N 2.96Å; L613-T617 PolarHBondContact O-OG1 3.5Å
614V98.3Very high97.9Very high3 Ų350.4 Ų50.42%0.01826%0.256CS..Hα-helixtrans-56-47177.9171.90000111.3F492 L589 M605 P610 A611 T617 I618F492-V614 HydrophobicContact CE2-CG2 4.39Å; F492-V614 HydrophobicContact CZ-CG2 4.25Å; L589-V614 HydrophobicContact CB-CG1 4.44Å; L589-V614 HydrophobicContact CD2-CG1 4.43Å; L589-V614 HydrophobicContact CD2-CG2 4.32Å; M605-V614 HydrophobicContact CE-CG2 4.36Å; P610-V614 WeakPolarHBondContact O-CG2 3.44Å; P610-V614 PolarHBondContact O-N 3.49Å; A611-V614 PolarHBondContact O-N 3.33Å; V614-T617 PolarHBondContact O-N 3.32Å; V614-I618 HydrophobicContact CG1-CD1 3.88Å; V614-I618 VanDerWaalsContact O-CG1 3.28Å; V614-I618 WeakPolarHBondContact O-CG1 3.46Å; V614-I618 PolarHBondContact O-N 2.93Å
615Q98.3Very high97.9Very high125 Ų12550.2 Ų50.258%0.58426%0.255SS*.Hα-helixtrans-63.3-48.3179.7-72170.8-0.300112.3A611 E612 L613 T617 I618 L619A611-Q615 WeakPolarHBondContact O-CB 3.34Å; A611-Q615 VanDerWaalsContact O-CG 3.25Å; A611-Q615 WeakPolarHBondContact O-CG 3.39Å; A611-Q615 PolarHBondContact O-N 3.42Å; E612-Q615 PolarHBondContact O-N 2.86Å; L613-Q615 VanDerWaalsContact C-N 3.32Å; L613-Q615 PolarHBondContact O-N 2.77Å; Q615-T617 VanDerWaalsContact C-N 3.31Å; Q615-T617 PolarHBondContact O-N 3.47Å; Q615-I618 PolarHBondContact O-N 3.45Å; Q615-L619 WeakPolarHBondContact O-CG 3.48Å; Q615-L619 PolarHBondContact O-N 3.36Å; Q615-L619 VanDerWaalsContact O-N 3.1Å
616L98.6Very high98Very high95 Ų9551.4 Ų51.450%0.49726%0.26SS..Hα-helixtrans-63-39.1178.7-71.4171.5000111.6V497 E612 L613 L619 R620V497-L616 HydrophobicContact CG2-CB 4.13Å; E612-L616 VanDerWaalsContact O-CB 3.32Å; E612-L616 WeakPolarHBondContact O-CB 3.38Å; E612-L616 WeakPolarHBondContact O-CG 3.42Å; E612-L616 PolarHBondContact O-N 3.09Å; L613-L616 PolarHBondContact O-N 2.92Å; L616-L619 PolarHBondContact O-N 2.73Å; L616-R620 WeakPolarHBondContact O-CB 3.42Å; L616-R620 PolarHBondContact O-N 3.21Å
617T98.8Very high98Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-66.3-42.5177.6-57.20000112.1V497 C500 M501 L589 L613 V614 Q615 L619 R620 L621V497-T617 HydrophobicContact CG1-CG2 4.42Å; V497-T617 PolarHBondContact O-OG1 3.01Å; C500-T617 HydrophobicContact CB-CG2 4.21Å; C500-T617 WeakPolarHBondContact CB-OG1 3.28Å; M501-T617 HydrophobicContact CB-CG2 4.33Å; M501-T617 HydrophobicContact CG-CG2 3.41Å; M501-T617 VanDerWaalsContact CG-CG2 3.41Å; L589-T617 HydrophobicContact CD1-CG2 3.37Å; L613-T617 VanDerWaalsContact O-CB 3.31Å; L613-T617 WeakPolarHBondContact O-CB 3.38Å; L613-T617 PolarHBondContact O-N 2.96Å; L613-T617 PolarHBondContact O-OG1 3.5Å; V614-T617 PolarHBondContact O-N 3.32Å; Q615-T617 VanDerWaalsContact C-N 3.31Å; Q615-T617 PolarHBondContact O-N 3.47Å; T617-L619 VanDerWaalsContact C-N 3.32Å; T617-L619 PolarHBondContact O-N 3.12Å; T617-R620 PolarHBondContact O-N 2.88Å; T617-L621 HydrophobicContact CG2-CD1 3.87Å; T617-L621 HydrophobicContact CG2-CG 4.38Å; T617-L621 WeakPolarHBondContact O-CB 3.49Å; T617-L621 WeakPolarHBondContact O-CG 3.35Å; T617-L621 PolarHBondContact O-N 3.25Å
618I98.8Very high98.2Very high6 Ų647.7 Ų47.73%0.03122%0.223CC..Hα-helixtrans-58.2-46.7173.8-71165.2000110.4L586 L589 V614 Q615 R620 L621 C622L586-I618 HydrophobicContact CD1-CB 4.46Å; L586-I618 HydrophobicContact CD1-CG2 3.97Å; L589-I618 HydrophobicContact CB-CD1 4.21Å; L589-I618 HydrophobicContact CB-CG1 3.83Å; V614-I618 HydrophobicContact CG1-CD1 3.88Å; V614-I618 VanDerWaalsContact O-CG1 3.28Å; V614-I618 WeakPolarHBondContact O-CG1 3.46Å; V614-I618 PolarHBondContact O-N 2.93Å; Q615-I618 PolarHBondContact O-N 3.45Å; I618-R620 VanDerWaalsContact C-N 3.34Å; I618-R620 PolarHBondContact O-N 3.39Å; I618-L621 PolarHBondContact O-N 3.36Å; I618-C622 WeakPolarHBondContact O-CB 3.47Å; I618-C622 PolarHBondContact O-N 2.99Å; I618-C622 PolarHBondContact O-SG 2.91Å
619L98.8Very high98.3Very high46 Ų4638.6 Ų38.624%0.24119%0.189CC..Hα-helixtrans-63.6-39.9178.3-65.3177.8000111.9Q342 W346 Q615 L616 T617 C622 S623Q342-L619 HydrophobicContact CG-CD2 3.84Å; W346-L619 HydrophobicContact CB-CD2 4.38Å; W346-L619 HydrophobicContact CG-CD2 4.41Å; Q615-L619 WeakPolarHBondContact O-CG 3.48Å; Q615-L619 PolarHBondContact O-N 3.36Å; Q615-L619 VanDerWaalsContact O-N 3.1Å; L616-L619 PolarHBondContact O-N 2.73Å; T617-L619 VanDerWaalsContact C-N 3.32Å; T617-L619 PolarHBondContact O-N 3.12Å; L619-C622 PolarHBondContact O-N 3.23Å; L619-S623 WeakPolarHBondContact O-CB 3.26Å; L619-S623 PolarHBondContact O-N 3.2Å
620R98.8Very high98.4Very high130 Ų13033.1 Ų33.149%0.49117%0.165SC..Hα-helixtrans-62.8-49.3176.1179.361.5-172.6-172.23.2111.5V497 M501 L616 T617 I618 C622 S623 E624V497-R620 HydrophobicContact CG1-CB 4.27Å; V497-R620 HydrophobicContact CG1-CG 4.29Å; M501-R620 HydrophobicContact SD-CG 4.36Å; L616-R620 WeakPolarHBondContact O-CB 3.42Å; L616-R620 PolarHBondContact O-N 3.21Å; T617-R620 PolarHBondContact O-N 2.88Å; I618-R620 VanDerWaalsContact C-N 3.34Å; I618-R620 PolarHBondContact O-N 3.39Å; R620-C622 PolarHBondContact O-N 3.49Å; R620-S623 WeakPolarHBondContact O-CB 3.3Å; R620-S623 PolarHBondContact O-N 3.4Å; R620-E624 IonicContact CZ-OE1 3.42Å; R620-E624 IonicContact NE-OE1 3.71Å; R620-E624 PolarHBondContact NE-OE1 2.81Å; R620-E624 IonicContact NH2-OE1 2.66Å; R620-E624 PolarHBondContact NH2-OE1 3.48Å; R620-E624 WeakPolarHBondContact O-CG 3.2Å; R620-E624 PolarHBondContact O-N 3.31Å
621L98.8Very high98.5Very high1 Ų132.7 Ų32.71%0.00516%0.163CC..Hα-helixtrans-61-42.7177.7-75.7164.1000111.8M501 K582 A585 L586 L589 T617 I618 S623 E624 L625M501-L621 HydrophobicContact CE-CD2 3.53Å; M501-L621 HydrophobicContact CE-CG 4.15Å; M501-L621 HydrophobicContact CG-CD1 4.5Å; M501-L621 HydrophobicContact CG-CD2 4.37Å; M501-L621 HydrophobicContact CG-CG 4.33Å; K582-L621 HydrophobicContact CB-CD2 3.93Å; K582-L621 HydrophobicContact CG-CD2 4.03Å; A585-L621 HydrophobicContact CB-CD1 3.9Å; A585-L621 HydrophobicContact CB-CD2 4.34Å; L586-L621 HydrophobicContact CB-CB 4.17Å; L586-L621 HydrophobicContact CB-CD1 4.1Å; L586-L621 HydrophobicContact CD1-CB 4.06Å; L589-L621 HydrophobicContact CD1-CD1 4.05Å; T617-L621 HydrophobicContact CG2-CD1 3.87Å; T617-L621 HydrophobicContact CG2-CG 4.38Å; T617-L621 WeakPolarHBondContact O-CB 3.49Å; T617-L621 WeakPolarHBondContact O-CG 3.35Å; T617-L621 PolarHBondContact O-N 3.25Å; I618-L621 PolarHBondContact O-N 3.36Å; L621-S623 VanDerWaalsContact C-N 3.35Å; L621-S623 PolarHBondContact O-N 3.21Å; L621-E624 PolarHBondContact O-N 3.48Å; L621-L625 VanDerWaalsContact O-CB 3.28Å; L621-L625 WeakPolarHBondContact O-CB 3.34Å; L621-L625 WeakPolarHBondContact O-CG 3.3Å; L621-L625 PolarHBondContact O-N 2.72Å
622C98.9Very high98.6Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-59.8-45.1174.2-70.10000111.6Q345 I349 I618 L619 R620 E624 L625 K626Q345-C622 HydrophobicContact CB-CB 4.11Å; I349-C622 VanDerWaalsContact CD1-O 3.23Å; I349-C622 WeakPolarHBondContact CD1-O 3.42Å; I618-C622 WeakPolarHBondContact O-CB 3.47Å; I618-C622 PolarHBondContact O-N 2.99Å; I618-C622 PolarHBondContact O-SG 2.91Å; L619-C622 PolarHBondContact O-N 3.23Å; R620-C622 PolarHBondContact O-N 3.49Å; C622-E624 VanDerWaalsContact C-N 3.34Å; C622-E624 PolarHBondContact O-N 2.97Å; C622-L625 PolarHBondContact O-N 2.63Å; C622-K626 WeakPolarHBondContact O-CB 3.22Å; C622-K626 PolarHBondContact O-N 3.04Å
623S98.7Very high98.6Very high54 Ų5429 Ų2938%0.37814%0.142SC..Hα-helixtrans-63.8-37.9178-179.20000112.8L619 R620 L621L619-S623 WeakPolarHBondContact O-CB 3.26Å; L619-S623 PolarHBondContact O-N 3.2Å; R620-S623 WeakPolarHBondContact O-CB 3.3Å; R620-S623 PolarHBondContact O-N 3.4Å; L621-S623 VanDerWaalsContact C-N 3.35Å; L621-S623 PolarHBondContact O-N 3.21Å
624E98.4Very high98.7Very high40 Ų4029 Ų2919%0.18714%0.142CC..Hα-helixtrans-72.2-46177.7-71-172.4-174.800111.7K582 R620 L621 C622 K626K582-E624 WeakPolarHBondContact CE-OE2 3.17Å; K582-E624 IonicContact NZ-OE2 3.46Å; K582-E624 PolarHBondContact NZ-OE2 3.38Å; R620-E624 IonicContact CZ-OE1 3.42Å; R620-E624 IonicContact NE-OE1 3.71Å; R620-E624 PolarHBondContact NE-OE1 2.81Å; R620-E624 IonicContact NH2-OE1 2.66Å; R620-E624 PolarHBondContact NH2-OE1 3.48Å; R620-E624 WeakPolarHBondContact O-CG 3.2Å; R620-E624 PolarHBondContact O-N 3.31Å; L621-E624 PolarHBondContact O-N 3.48Å; C622-E624 VanDerWaalsContact C-N 3.34Å; C622-E624 PolarHBondContact O-N 2.97Å; E624-K626 VanDerWaalsContact C-N 3.25Å; E624-K626 PolarHBondContact O-N 3.27Å
625L98.8Very high98.7Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-71.1-17.2-179.9-73.7166.7000113.3I349 V579 K582 L583 L586 L621 C622 N627 E628 A629 L632I349-L625 HydrophobicContact CG2-CB 3.75Å; I349-L625 HydrophobicContact CG2-CD1 4.12Å; V579-L625 HydrophobicContact CG2-CD2 3.94Å; K582-L625 HydrophobicContact CB-CD1 4.25Å; K582-L625 HydrophobicContact CB-CD2 3.95Å; K582-L625 HydrophobicContact CB-CG 4.18Å; L583-L625 HydrophobicContact CD2-CD1 3.95Å; L583-L625 HydrophobicContact CD2-CD2 3.98Å; L583-L625 HydrophobicContact CG-CD2 4.22Å; L586-L625 HydrophobicContact CB-CD1 4.22Å; L586-L625 HydrophobicContact CD2-CD1 3.6Å; L621-L625 VanDerWaalsContact O-CB 3.28Å; L621-L625 WeakPolarHBondContact O-CB 3.34Å; L621-L625 WeakPolarHBondContact O-CG 3.3Å; L621-L625 PolarHBondContact O-N 2.72Å; C622-L625 PolarHBondContact O-N 2.63Å; L625-N627 PolarHBondContact O-N 3.1Å; L625-E628 HydrophobicContact CD2-CG 4.49Å; L625-E628 CarbonylContact O-C 3.59Å; L625-E628 WeakPolarHBondContact O-CA 3.44Å; L625-E628 WeakPolarHBondContact O-CB 3.36Å; L625-E628 PolarHBondContact O-N 2.74Å; L625-A629 PolarHBondContact O-N 3.01Å; L625-L632 HydrophobicContact CD2-CD1 4.27Å
626K98.7Very high98.6Very high26 Ų2623.6 Ų23.611%0.11312%0.118CC..THydrogen-bonded Turntrans-53.2-40.7174.8-179.6-14870.2-175.10112.5L339 E340 Q345 I349 C622 E624 E628 A629L339-K626 HydrophobicContact CD1-CG 4.37Å; L339-K626 HydrophobicContact CD2-CG 4.49Å; L339-K626 HydrophobicContact CG-CG 3.93Å; E340-K626 IonicContact OE1-NZ 2.82Å; E340-K626 WeakPolarHBondContact OE2-CE 3.41Å; E340-K626 IonicContact OE2-NZ 3.17Å; E340-K626 PolarHBondContact OE2-NZ 2.73Å; Q345-K626 HydrophobicContact CG-CB 4.21Å; Q345-K626 HydrophobicContact CG-CD 4.44Å; Q345-K626 HydrophobicContact CG-CG 4.02Å; I349-K626 HydrophobicContact CD1-CB 4.04Å; C622-K626 WeakPolarHBondContact O-CB 3.22Å; C622-K626 PolarHBondContact O-N 3.04Å; E624-K626 VanDerWaalsContact C-N 3.25Å; E624-K626 PolarHBondContact O-N 3.27Å; K626-E628 PolarHBondContact O-N 3.2Å; K626-A629 WeakPolarHBondContact O-CB 3.46Å; K626-A629 PolarHBondContact O-N 3.35Å
627N98.2Very high98.6Very high54 Ų5420.2 Ų20.229%0.28910%0.103SC..THydrogen-bonded Turntrans-70.2-23.5178.8-72-15.5000112.7K19 L625K19-N627 HydrophobicContact CB-CB 4.08Å; L625-N627 PolarHBondContact O-N 3.1Å
628E98.6Very high98.5Very high20 Ų2020.7 Ų20.79%0.09311%0.106CC..THydrogen-bonded Turntrans-89.2-18.9177.6-52.8-51.9145.800112.3A20 S21 F22 V579 L625 K626 V630 A631 L632A20-E628 WeakPolarHBondContact CA-OE2 3.4Å; A20-E628 WeakPolarHBondContact CB-OE2 3.44Å; S21-E628 PolarHBondContact N-OE1 3.01Å; S21-E628 VanDerWaalsContact N-OE1 3.15Å; S21-E628 PolarHBondContact N-OE2 3.16Å; S21-E628 PolarHBondContact OG-OE1 3.16Å; F22-E628 WeakPolarHBondContact CD1-OE2 3.47Å; F22-E628 HydrophobicContact CE1-CB 4.09Å; F22-E628 VanDerWaalsContact CE1-OE2 3.3Å; F22-E628 WeakPolarHBondContact CE1-OE2 3.17Å; V579-E628 HydrophobicContact CG2-CB 4.28Å; V579-E628 HydrophobicContact CG2-CG 4.15Å; L625-E628 HydrophobicContact CD2-CG 4.49Å; L625-E628 CarbonylContact O-C 3.59Å; L625-E628 WeakPolarHBondContact O-CA 3.44Å; L625-E628 WeakPolarHBondContact O-CB 3.36Å; L625-E628 PolarHBondContact O-N 2.74Å; K626-E628 PolarHBondContact O-N 3.2Å; E628-V630 PolarHBondContact O-N 2.58Å; E628-A631 PolarHBondContact O-N 3.21Å; E628-A631 VanDerWaalsContact O-N 3.11Å; E628-L632 HydrophobicContact CB-CD1 3.79Å; E628-L632 HydrophobicContact CB-CG 4.14Å; E628-L632 WeakPolarHBondContact O-CG 3.42Å; E628-L632 PolarHBondContact O-N 3.43Å
629A98.8Very high98.4Very high1 Ų122.9 Ų22.91%0.00812%0.12CC..Hα-helixtrans-58-41.7-162.300000113.9I319 L339 L625 K626 L632 V633I319-A629 HydrophobicContact CD1-CB 4.41Å; I319-A629 HydrophobicContact CG2-CB 3.99Å; L339-A629 HydrophobicContact CD2-CB 4.5Å; L625-A629 PolarHBondContact O-N 3.01Å; K626-A629 WeakPolarHBondContact O-CB 3.46Å; K626-A629 PolarHBondContact O-N 3.35Å; A629-L632 PolarHBondContact O-N 3.47Å; A629-V633 WeakPolarHBondContact O-CG2 3.37Å; A629-V633 PolarHBondContact O-N 3.5Å
630V98.9Very high98.3Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-68-45.8178.61760000111L13 Y16 R17 I319 A323 E628 L632 V633 D634L13-V630 HydrophobicContact CB-CG1 4.25Å; L13-V630 HydrophobicContact CD2-CG1 4Å; L13-V630 HydrophobicContact CD2-CG2 4.2Å; Y16-V630 HydrophobicContact CD2-CG2 4.46Å; Y16-V630 HydrophobicContact CG-CG2 4.01Å; R17-V630 HydrophobicContact CG-CG1 3.89Å; I319-V630 HydrophobicContact CG2-CG2 4.18Å; A323-V630 HydrophobicContact CB-CG2 3.66Å; E628-V630 PolarHBondContact O-N 2.58Å; V630-L632 VanDerWaalsContact C-N 3.3Å; V630-L632 PolarHBondContact O-N 3.16Å; V630-V633 VanDerWaalsContact O-CG2 3.31Å; V630-V633 WeakPolarHBondContact O-CG2 3.37Å; V630-V633 PolarHBondContact O-N 3.33Å; V630-D634 WeakPolarHBondContact O-CB 3.18Å; V630-D634 PolarHBondContact O-N 2.96Å
631A98.7Very high98.2Very high3 Ų319.2 Ų19.23%0.02511%0.108CC..Hα-helixtrans-63.1-37.5176.200000111.9A20 F22 W24 E628 D634 V635A20-A631 HydrophobicContact CB-CB 3.5Å; A20-A631 VanDerWaalsContact CB-CB 3.5Å; F22-A631 HydrophobicContact CE1-CB 4.15Å; F22-A631 HydrophobicContact CZ-CB 3.84Å; W24-A631 HydrophobicContact CB-CB 4.4Å; E628-A631 PolarHBondContact O-N 3.21Å; E628-A631 VanDerWaalsContact O-N 3.11Å; A631-D634 PolarHBondContact O-N 3.24Å; A631-V635 WeakPolarHBondContact O-CG2 3.3Å; A631-V635 PolarHBondContact O-N 3.14Å
632L98.9Very high98.1Very high0 Ų019.1 Ų19.10%011%0.108CC..Hα-helixtrans-62.6-47.4174.9-72.3169.5000111.7F22 V352 Y356 V579 L583 L625 E628 A629 V630 D634 V635F22-L632 HydrophobicContact CE1-CD2 3.96Å; F22-L632 HydrophobicContact CE1-CG 4.03Å; F22-L632 HydrophobicContact CE2-CD2 4.42Å; F22-L632 HydrophobicContact CZ-CD2 3.55Å; F22-L632 HydrophobicContact CZ-CG 3.8Å; V352-L632 HydrophobicContact CG1-CB 4.01Å; V352-L632 HydrophobicContact CG1-CD1 4.19Å; Y356-L632 HydrophobicContact CE1-CD2 4.17Å; Y356-L632 HydrophobicContact CE2-CB 4.07Å; Y356-L632 HydrophobicContact CE2-CD2 3.84Å; Y356-L632 WeakPolarHBondContact OH-CA 3.22Å; Y356-L632 WeakPolarHBondContact OH-CD2 3.24Å; Y356-L632 PolarHBondContact OH-O 3.14Å; V579-L632 HydrophobicContact CG2-CD1 4.34Å; V579-L632 HydrophobicContact CG2-CD2 4.03Å; L583-L632 HydrophobicContact CD1-CD1 4.47Å; L583-L632 HydrophobicContact CD1-CD2 3.91Å; L583-L632 HydrophobicContact CD2-CD1 4.07Å; L625-L632 HydrophobicContact CD2-CD1 4.27Å; E628-L632 HydrophobicContact CB-CD1 3.79Å; E628-L632 HydrophobicContact CB-CG 4.14Å; E628-L632 WeakPolarHBondContact O-CG 3.42Å; E628-L632 PolarHBondContact O-N 3.43Å; A629-L632 PolarHBondContact O-N 3.47Å; V630-L632 VanDerWaalsContact C-N 3.3Å; V630-L632 PolarHBondContact O-N 3.16Å; L632-D634 VanDerWaalsContact C-N 3.31Å; L632-D634 PolarHBondContact O-N 2.95Å; L632-V635 WeakPolarHBondContact O-CB 3.43Å; L632-V635 PolarHBondContact O-N 2.97Å
633V98.8Very high98.1Very high0 Ų019.2 Ų19.20%011%0.108CC..Hα-helixtrans-72.7-25.2177.6-60.60000113V315 T316 I319 R320 V352 A629 V630 V635 L636 A637V315-V633 HydrophobicContact CG2-CG1 4.33Å; T316-V633 HydrophobicContact CG2-CB 4.47Å; I319-V633 HydrophobicContact CB-CG1 3.86Å; I319-V633 HydrophobicContact CB-CG2 4.01Å; I319-V633 HydrophobicContact CG1-CG1 3.87Å; I319-V633 HydrophobicContact CG2-CG1 4.07Å; I319-V633 HydrophobicContact CG2-CG2 3.72Å; R320-V633 HydrophobicContact CG-CG2 4.23Å; V352-V633 HydrophobicContact CG2-CG1 4.18Å; A629-V633 WeakPolarHBondContact O-CG2 3.37Å; A629-V633 PolarHBondContact O-N 3.5Å; V630-V633 VanDerWaalsContact O-CG2 3.31Å; V630-V633 WeakPolarHBondContact O-CG2 3.37Å; V630-V633 PolarHBondContact O-N 3.33Å; V633-V635 PolarHBondContact O-N 2.63Å; V633-L636 PolarHBondContact O-N 3.12Å; V633-A637 WeakPolarHBondContact O-CB 3.45Å; V633-A637 PolarHBondContact O-N 3.27Å
634D98.6Very high98Very high5 Ų517.6 Ų17.63%0.02710%0.095CC..Hα-helixtrans-63.8-28.7172.5-78-21.2000112.3L8 R17 R320 V630 A631 L632L8-D634 HydrophobicContact CD1-CB 3.7Å; L8-D634 VanDerWaalsContact CD1-CG 3.4Å; L8-D634 VanDerWaalsContact CD1-OD2 3.32Å; L8-D634 WeakPolarHBondContact CD1-OD2 3.46Å; R17-D634 IonicContact CZ-OD2 3.77Å; R17-D634 IonicContact NE-OD2 2.67Å; R17-D634 PolarHBondContact NE-OD2 2.67Å; R17-D634 IonicContact NH2-OD1 3.14Å; R17-D634 IonicContact NH2-OD2 2.65Å; R17-D634 PolarHBondContact NH2-OD2 2.91Å; R320-D634 IonicContact CZ-OD1 3.65Å; R320-D634 IonicContact NE-OD1 2.86Å; R320-D634 PolarHBondContact NE-OD1 3.12Å; R320-D634 VanDerWaalsContact NE-OD1 3.15Å; R320-D634 IonicContact NH2-OD1 3.8Å; R320-D634 PolarHBondContact NH2-OD1 3.24Å; V630-D634 WeakPolarHBondContact O-CB 3.18Å; V630-D634 PolarHBondContact O-N 2.96Å; A631-D634 PolarHBondContact O-N 3.24Å; L632-D634 VanDerWaalsContact C-N 3.31Å; L632-D634 PolarHBondContact O-N 2.95Å
635V98.3Very high98Very high10 Ų1015.8 Ų15.86%0.0619%0.087CC..Hα-helixtrans-68.3-34.5169.8177.50000111.9F22 W24 M27 L28 I31 Y356 A631 L632 V633F22-V635 HydrophobicContact CE2-CG2 4.38Å; W24-V635 HydrophobicContact CB-CG2 3.9Å; W24-V635 WeakPolarHBondContact O-CG2 3.2Å; M27-V635 HydrophobicContact CB-CG2 3.83Å; M27-V635 HydrophobicContact CG-CG1 4.02Å; M27-V635 HydrophobicContact CG-CG2 3.81Å; L28-V635 HydrophobicContact CB-CG1 4.13Å; L28-V635 HydrophobicContact CD1-CG1 4.2Å; I31-V635 HydrophobicContact CD1-CG1 3.81Å; Y356-V635 WeakPolarHBondContact OH-CB 3.2Å; A631-V635 WeakPolarHBondContact O-CG2 3.3Å; A631-V635 PolarHBondContact O-N 3.14Å; L632-V635 WeakPolarHBondContact O-CB 3.43Å; L632-V635 PolarHBondContact O-N 2.97Å; V633-V635 PolarHBondContact O-N 2.63Å
636L97.7Very high97.9Very high5 Ų515.9 Ų15.93%0.0269%0.088CC..Hα-helixtrans-86.3-23.3-175.5-55.2176.7000112.8K312 V315 A355 Y356 V633K312-L636 HydrophobicContact CB-CB 4.3Å; K312-L636 HydrophobicContact CD-CD2 4.3Å; K312-L636 HydrophobicContact CG-CB 4.35Å; K312-L636 HydrophobicContact CG-CD1 4.29Å; K312-L636 HydrophobicContact CG-CD2 4.3Å; V315-L636 HydrophobicContact CG2-CD1 4.31Å; A355-L636 HydrophobicContact CB-CD1 3.99Å; Y356-L636 HydrophobicContact CD2-CD1 4.36Å; Y356-L636 HydrophobicContact CD2-CD2 4.39Å; Y356-L636 HydrophobicContact CE2-CD1 3.91Å; Y356-L636 HydrophobicContact CE2-CD2 3.96Å; Y356-L636 HydrophobicContact CE2-CG 4.04Å; V633-L636 PolarHBondContact O-N 3.12Å
637A97.4Very high97.9Very high23 Ų2314.8 Ų14.819%0.198%0.083CC..  trans-70.6134.8-170.700000112.2T316 R320 V633T316-A637 HydrophobicContact CG2-CB 3.63Å; R320-A637 VanDerWaalsContact NH2-CB 3.29Å; V633-A637 WeakPolarHBondContact O-CB 3.45Å; V633-A637 PolarHBondContact O-N 3.27Å
638P96.9Very high97.9Very high11 Ų1112.3 Ų12.37%0.0717%0.07CC..  trans-79-175.2161.639.4-38000110F44 M104 L313 I642 L643F44-P638 HydrophobicContact CE1-CB 4.48Å; F44-P638 HydrophobicContact CE2-CB 4.09Å; F44-P638 HydrophobicContact CZ-CB 3.85Å; M104-P638 HydrophobicContact SD-CB 3.89Å; M104-P638 HydrophobicContact SD-CG 4.21Å; L313-P638 HydrophobicContact CD2-CG 3.63Å; P638-I642 HydrophobicContact CB-CB 3.76Å; P638-I642 HydrophobicContact CB-CG2 3.59Å; P638-I642 HydrophobicContact CG-CB 3.97Å; P638-I642 HydrophobicContact CG-CG2 3.69Å; P638-L643 HydrophobicContact CG-CB 4.18Å
639T95.9Very high97.9Very high51 Ų5112.9 Ų12.931%0.3137%0.073SC..  trans-63.1158.8172.965.70000111.7E48 F641 I642 L643E48-T639 WeakPolarHBondContact OE1-CB 3.27Å; E48-T639 WeakPolarHBondContact OE1-CG2 3.48Å; E48-T639 PolarHBondContact OE1-OG1 3.12Å; T639-F641 PolarHBondContact O-N 2.94Å; T639-I642 PolarHBondContact O-N 3.22Å; T639-I642 WeakPolarHBondContact OG1-CG1 3.38Å; T639-L643 PolarHBondContact O-N 3.34Å
640D97.1Very high97.9Very high46 Ų4613.1 Ų13.125%0.2468%0.075CC..Hα-helixtrans-62-30.1-178.7-71.4-15.7000112.7R320 I642 N644 N649 A650R320-D640 IonicContact NH1-OD1 3.55Å; D640-I642 VanDerWaalsContact C-N 3.35Å; D640-N644 PolarHBondContact O-N 2.84Å; D640-N649 WeakPolarHBondContact OD1-CA 3.31Å; D640-N649 WeakPolarHBondContact OD2-CA 3.37Å; D640-N649 WeakPolarHBondContact OD2-CB 3.46Å; D640-A650 PolarHBondContact OD1-N 3.44Å; D640-A650 PolarHBondContact OD2-N 3.29Å
641F96.8Very high97.8Very high53 Ų5314.8 Ų14.823%0.2328%0.084CC..Hα-helixtrans-60.5-43.4171.5171.3-96.4000112.1L47 E48 F53 Y105 T639L47-F641 HydrophobicContact CB-CE1 4.1Å; E48-F641 HydrophobicContact CB-CD1 4.32Å; E48-F641 HydrophobicContact CB-CE1 4.48Å; E48-F641 HydrophobicContact CG-CB 3.78Å; E48-F641 HydrophobicContact CG-CD1 3.28Å; E48-F641 HydrophobicContact CG-CD2 4.27Å; E48-F641 HydrophobicContact CG-CE1 3.85Å; E48-F641 HydrophobicContact CG-CG 3.52Å; F53-F641 HydrophobicContact CB-CZ 4.22Å; F53-F641 VanDerWaalsContact O-CZ 3.26Å; F53-F641 WeakPolarHBondContact O-CZ 3.47Å; Y105-F641 HydrophobicContact CD2-CE1 4.14Å; Y105-F641 HydrophobicContact CE2-CE1 4.04Å; Y105-F641 HydrophobicContact CE2-CZ 4.11Å; T639-F641 PolarHBondContact O-N 2.94Å
642I97.5Very high97.8Very high0 Ų015 Ų150%09%0.086CC..Hα-helixtrans-76.3-44.2179.7-59.2-67.9000110.3F44 L47 R55 M104 Y105 R428 P638 T639 D640 N644F44-I642 HydrophobicContact CB-CG1 4.42Å; F44-I642 HydrophobicContact CD1-CD1 3.65Å; F44-I642 HydrophobicContact CD1-CG1 3.55Å; F44-I642 HydrophobicContact CE1-CD1 4.12Å; F44-I642 HydrophobicContact CE1-CG1 3.9Å; F44-I642 HydrophobicContact CE1-CG2 4.04Å; F44-I642 HydrophobicContact CG-CD1 4.45Å; F44-I642 HydrophobicContact CG-CG1 4.05Å; L47-I642 HydrophobicContact CD1-CD1 4.03Å; R55-I642 PolarHBondContact NH2-O 2.92Å; M104-I642 HydrophobicContact CB-CG2 3.57Å; Y105-I642 HydrophobicContact CD2-CD1 4.08Å; R428-I642 PolarHBondContact NH1-O 3.44Å; P638-I642 HydrophobicContact CB-CB 3.76Å; P638-I642 HydrophobicContact CB-CG2 3.59Å; P638-I642 HydrophobicContact CG-CB 3.97Å; P638-I642 HydrophobicContact CG-CG2 3.69Å; T639-I642 PolarHBondContact O-N 3.22Å; T639-I642 WeakPolarHBondContact OG1-CG1 3.38Å; D640-I642 VanDerWaalsContact C-N 3.35Å; I642-N644 VanDerWaalsContact C-N 3.29Å; I642-N644 PolarHBondContact O-N 2.95Å
643L97.6Very high97.7Very high2 Ų218.6 Ų18.61%0.0110%0.103CC..Hα-helixtrans-59.8-42.8178.5-172.461.1000110.9L313 T316 V317 R428 P638 T639 S645 A648L313-L643 HydrophobicContact CB-CD1 4.42Å; L313-L643 HydrophobicContact CD2-CD1 3.82Å; T316-L643 HydrophobicContact CG2-CD1 4.38Å; T316-L643 HydrophobicContact CG2-CD2 4.04Å; V317-L643 HydrophobicContact CG2-CD1 3.92Å; V317-L643 HydrophobicContact CG2-CD2 4.49Å; V317-L643 HydrophobicContact CG2-CG 4.29Å; R428-L643 WeakPolarHBondContact CD-O 3.19Å; R428-L643 PolarHBondContact NH1-O 3.38Å; P638-L643 HydrophobicContact CG-CB 4.18Å; T639-L643 PolarHBondContact O-N 3.34Å; L643-S645 PolarHBondContact O-N 3.46Å; L643-A648 HydrophobicContact CD2-CB 3.87Å; L643-A648 WeakPolarHBondContact CD2-O 3.34Å
644N97.2Very high97.7Very high20 Ų2018.9 Ų18.911%0.10711%0.105CC..  trans53.448.9174.5-164.944.4000112.7P57 D640 I642P57-N644 VanDerWaalsContact CG-OD1 3.3Å; P57-N644 WeakPolarHBondContact CG-OD1 3.46Å; D640-N644 PolarHBondContact O-N 2.84Å; I642-N644 VanDerWaalsContact C-N 3.29Å; I642-N644 PolarHBondContact O-N 2.95Å
645S97.9Very high97.7Very high1 Ų124.3 Ų24.31%0.00713%0.126CC..  trans-142.7104.5180-173.30000109.9N427 L643 I647 A648 N649N427-S645 WeakPolarHBondContact CA-OG 3.42Å; N427-S645 PolarHBondContact O-OG 3.5Å; L643-S645 PolarHBondContact O-N 3.46Å; S645-I647 PolarHBondContact O-N 3.29Å; S645-I647 VanDerWaalsContact O-N 3.12Å; S645-A648 PolarHBondContact O-N 2.99Å; S645-N649 PolarHBondContact O-N 3.17Å; S645-N649 PolarHBondContact O-OD1 2.89Å
646P97.9Very high97.7Very high3 Ų330.7 Ų30.72%0.01915%0.153CC..G310 helixtrans-64.2-22.9-171.526-35.3000113.3M426 N427 A648 N657 L658 T661M426-P646 HydrophobicContact CG-CG 4.43Å; M426-P646 VanDerWaalsContact O-CD 3.27Å; M426-P646 WeakPolarHBondContact O-CD 3.47Å; M426-P646 HydrophobicContact SD-CG 4.4Å; N427-P646 VanDerWaalsContact OD1-CD 3.28Å; N427-P646 WeakPolarHBondContact OD1-CD 3.3Å; N427-P646 WeakPolarHBondContact OD1-CG 3.38Å; P646-A648 PolarHBondContact O-N 2.84Å; P646-N657 HydrophobicContact CB-CB 4.18Å; P646-N657 VanDerWaalsContact O-CB 3.23Å; P646-N657 WeakPolarHBondContact O-CB 3.49Å; P646-L658 HydrophobicContact CG-CD1 4.3Å; P646-T661 HydrophobicContact CG-CG2 4.26Å
647I98.5Very high97.7Very high3 Ų331.6 Ų31.62%0.01516%0.158CC..G310 helixtrans-76-4.517764.9170.2000114.3V317 F321 C418 H421 N427 S645 L654 L658V317-I647 HydrophobicContact CG1-CD1 3.83Å; V317-I647 HydrophobicContact CG1-CG1 3.93Å; F321-I647 HydrophobicContact CB-CD1 4.43Å; F321-I647 HydrophobicContact CD2-CB 4.02Å; F321-I647 HydrophobicContact CD2-CD1 3.95Å; F321-I647 HydrophobicContact CD2-CG1 4.43Å; F321-I647 HydrophobicContact CG-CD1 4.35Å; C418-I647 HydrophobicContact CB-CD1 4.36Å; H421-I647 HydrophobicContact CB-CD1 4.49Å; H421-I647 HydrophobicContact CB-CG2 4.44Å; N427-I647 HydrophobicContact CB-CD1 3.8Å; N427-I647 HydrophobicContact CB-CG1 4.01Å; N427-I647 WeakPolarHBondContact OD1-CG1 3.3Å; N427-I647 WeakPolarHBondContact OD1-CG2 3.49Å; S645-I647 PolarHBondContact O-N 3.29Å; S645-I647 VanDerWaalsContact O-N 3.12Å; I647-L654 HydrophobicContact CB-CD1 3.48Å; I647-L654 VanDerWaalsContact CB-CD1 3.48Å; I647-L654 HydrophobicContact CG2-CD1 3.69Å; I647-L654 WeakPolarHBondContact O-CD1 3.46Å; I647-L658 HydrophobicContact CG2-CB 4.39Å; I647-L658 HydrophobicContact CG2-CD1 4.1Å; I647-L658 HydrophobicContact CG2-CD2 4.34Å
648A98.3Very high97.7Very high1 Ų131.2 Ų31.21%0.00815%0.152CC..G310 helixtrans-133.815.3-172.400000113.4V317 R320 L643 S645 P646V317-A648 HydrophobicContact CB-CB 3.98Å; V317-A648 HydrophobicContact CG1-CB 4.03Å; V317-A648 HydrophobicContact CG2-CB 3.82Å; R320-A648 HydrophobicContact CB-CB 4.32Å; R320-A648 WeakPolarHBondContact CD-O 3.07Å; R320-A648 PolarHBondContact NH1-O 3.31Å; L643-A648 HydrophobicContact CD2-CB 3.87Å; L643-A648 WeakPolarHBondContact CD2-O 3.34Å; S645-A648 PolarHBondContact O-N 2.99Å; P646-A648 PolarHBondContact O-N 2.84Å
649N98.1Very high97.6Very high32 Ų3238.6 Ų38.617%0.17118%0.179CC..  trans-54.1147.5172.7-74.57.4000110.6D640 S645 D651 G652 N657D640-N649 WeakPolarHBondContact OD1-CA 3.31Å; D640-N649 WeakPolarHBondContact OD2-CA 3.37Å; D640-N649 WeakPolarHBondContact OD2-CB 3.46Å; S645-N649 PolarHBondContact O-N 3.17Å; S645-N649 PolarHBondContact O-OD1 2.89Å; N649-D651 PolarHBondContact O-N 3.34Å; N649-D651 VanDerWaalsContact O-N 3.14Å; N649-G652 PolarHBondContact O-N 2.8Å; N649-N657 WeakPolarHBondContact CB-ND2 3.46Å; N649-N657 VanDerWaalsContact ND2-CG 3.31Å; N649-N657 PolarHBondContact ND2-ND2 2.9Å
650A97.9Very high97.6Very high6 Ų638.7 Ų38.75%0.0518%0.181CC..THydrogen-bonded Turntrans-64.9-18.8-173.400000113.7L8 P9 R17 D640 G652L8-A650 HydrophobicContact CD2-CB 4.16Å; P9-A650 HydrophobicContact CG-CB 3.82Å; R17-A650 PolarHBondContact NH1-O 3.48Å; R17-A650 PolarHBondContact NH2-O 3.03Å; D640-A650 PolarHBondContact OD1-N 3.44Å; D640-A650 PolarHBondContact OD2-N 3.29Å; A650-G652 VanDerWaalsContact C-N 3.33Å
651D97.9Very high97.5Very high35 Ų3537.5 Ų37.519%0.18718%0.176CC..THydrogen-bonded Turntrans-73.6-24.6175.66211.3000112.5P9 G11 P12 N649 E653 N657P9-D651 HydrophobicContact CB-CB 4.11Å; P9-D651 HydrophobicContact CG-CB 3.97Å; G11-D651 CarbonylContact C-O 3.52Å; G11-D651 VanDerWaalsContact CA-O 3.25Å; G11-D651 WeakPolarHBondContact CA-O 3.35Å; P12-D651 WeakPolarHBondContact CD-O 3.04Å; N649-D651 PolarHBondContact O-N 3.34Å; N649-D651 VanDerWaalsContact O-N 3.14Å; D651-E653 VanDerWaalsContact C-N 3.29Å; D651-E653 HydrophobicContact CB-CG 4.3Å; D651-E653 PolarHBondContact OD1-N 3.49Å; D651-N657 PolarHBondContact OD1-ND2 2.91Å; D651-N657 PolarHBondContact OD2-ND2 3.47Å
652G98Very high97.4Very high7 Ų737 Ų377%0.07218%0.177CC..  trans76.79.3-174.300000115.1P12 T324 N649 A650 L654P12-G652 WeakPolarHBondContact CG-O 3.28Å; T324-G652 WeakPolarHBondContact CG2-O 3.43Å; N649-G652 PolarHBondContact O-N 2.8Å; A650-G652 VanDerWaalsContact C-N 3.33Å; G652-L654 PolarHBondContact O-N 2.82Å
653E98.4Very high97.2Very high76 Ų7640.6 Ų40.636%0.35520%0.195SC..  trans-77.353.9-179.8-71.7-67.6159.400111.7P12 D651 Y655 K656 N657P12-E653 VanDerWaalsContact CD-OE1 3.31Å; P12-E653 WeakPolarHBondContact CD-OE1 3.39Å; D651-E653 VanDerWaalsContact C-N 3.29Å; D651-E653 HydrophobicContact CB-CG 4.3Å; D651-E653 PolarHBondContact OD1-N 3.49Å; E653-Y655 PolarHBondContact O-N 2.73Å; E653-Y655 VanDerWaalsContact O-N 3.16Å; E653-K656 HydrophobicContact CB-CB 4.26Å; E653-K656 PolarHBondContact O-N 3.46Å; E653-K656 VanDerWaalsContact O-N 3.08Å; E653-N657 PolarHBondContact O-N 3.48Å; E653-N657 PolarHBondContact O-ND2 2.74Å
654L97.9Very high96.9Very high7 Ų746.4 Ų46.44%0.03722%0.222CC..Hα-helixtrans-38.4-59.6-169.5173.966.4000113.7F321 R325 I647 G652 L658F321-L654 HydrophobicContact CD2-CD1 3.54Å; F321-L654 HydrophobicContact CD2-CD2 4.15Å; F321-L654 HydrophobicContact CE2-CD1 3.94Å; F321-L654 HydrophobicContact CE2-CD2 4.05Å; R325-L654 HydrophobicContact CB-CD2 4.03Å; I647-L654 HydrophobicContact CB-CD1 3.48Å; I647-L654 VanDerWaalsContact CB-CD1 3.48Å; I647-L654 HydrophobicContact CG2-CD1 3.69Å; I647-L654 WeakPolarHBondContact O-CD1 3.46Å; G652-L654 PolarHBondContact O-N 2.82Å; L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.3Å; L654-L658 PolarHBondContact O-N 3.06Å
655Y98Very high96.4Very high118 Ų11847 Ų4746%0.46323%0.233SC..Hα-helixtrans-75.6-34.6-172.9-63.2-60.6000112.8R325 E653 W659R325-Y655 VanDerWaalsContact CD-OH 3.23Å; R325-Y655 WeakPolarHBondContact CD-OH 3.41Å; R325-Y655 PolarHBondContact NE-OH 2.94Å; R325-Y655 PolarHBondContact NH1-OH 2.86Å; E653-Y655 PolarHBondContact O-N 2.73Å; E653-Y655 VanDerWaalsContact O-N 3.16Å; Y655-W659 WeakPolarHBondContact O-CB 3.44Å; Y655-W659 PolarHBondContact O-N 2.78Å
656K98.2Very high95.6Very high145 Ų14552 Ų5263%0.6327%0.268SS*.Hα-helixtrans-66.8-46.7178.8-179.2-176.6175-171.50110.3E653 W659 S660E653-K656 HydrophobicContact CB-CB 4.26Å; E653-K656 PolarHBondContact O-N 3.46Å; E653-K656 VanDerWaalsContact O-N 3.08Å; K656-W659 PolarHBondContact O-N 3.25Å; K656-S660 VanDerWaalsContact O-CB 3.26Å; K656-S660 WeakPolarHBondContact O-CB 3.24Å; K656-S660 PolarHBondContact O-N 3.3Å
657N97.9Very high95Very high23 Ų2358.1 Ų58.112%0.12330%0.296CS..Hα-helixtrans-64.2-48.3178.4-66.8-27000110.9P646 N649 D651 E653 W659 S660 T661P646-N657 HydrophobicContact CB-CB 4.18Å; P646-N657 VanDerWaalsContact O-CB 3.23Å; P646-N657 WeakPolarHBondContact O-CB 3.49Å; N649-N657 WeakPolarHBondContact CB-ND2 3.46Å; N649-N657 VanDerWaalsContact ND2-CG 3.31Å; N649-N657 PolarHBondContact ND2-ND2 2.9Å; D651-N657 PolarHBondContact OD1-ND2 2.91Å; D651-N657 PolarHBondContact OD2-ND2 3.47Å; E653-N657 PolarHBondContact O-N 3.48Å; E653-N657 PolarHBondContact O-ND2 2.74Å; N657-W659 PolarHBondContact O-N 2.8Å; N657-S660 PolarHBondContact O-N 3.45Å; N657-T661 PolarHBondContact O-N 2.99Å; N657-T661 PolarHBondContact O-OG1 3.16Å; N657-T661 VanDerWaalsContact O-OG1 3.08Å
658L97Very high94.6Very high16 Ų1660.6 Ų60.68%0.08432%0.318CS..Hα-helixtrans-58.5-49.7176.8179.964.8000111.9H421 M426 P646 I647 L654 S660 T661 V662H421-L658 VanDerWaalsContact CE1-CD2 3.49Å; H421-L658 WeakPolarHBondContact CE1-CD2 3.46Å; H421-L658 WeakPolarHBondContact ND1-CD2 3.2Å; M426-L658 HydrophobicContact SD-CD1 3.73Å; P646-L658 HydrophobicContact CG-CD1 4.3Å; I647-L658 HydrophobicContact CG2-CB 4.39Å; I647-L658 HydrophobicContact CG2-CD1 4.1Å; I647-L658 HydrophobicContact CG2-CD2 4.34Å; L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.3Å; L654-L658 PolarHBondContact O-N 3.06Å; L658-S660 PolarHBondContact O-N 2.95Å; L658-T661 PolarHBondContact O-N 3.24Å; L658-V662 HydrophobicContact CD1-CG2 4.42Å; L658-V662 VanDerWaalsContact O-CG2 3.31Å; L658-V662 WeakPolarHBondContact O-CG2 3.35Å; L658-V662 PolarHBondContact O-N 3.05Å
659W96.6Very high94.3Very high166 Ų16667.6 Ų67.663%0.62935%0.354SS*.Hα-helixtrans-63.8-42-178.7-176.4-110.7000112.2Y655 K656 N657 T661 V662 M663Y655-W659 WeakPolarHBondContact O-CB 3.44Å; Y655-W659 PolarHBondContact O-N 2.78Å; K656-W659 PolarHBondContact O-N 3.25Å; N657-W659 PolarHBondContact O-N 2.8Å; W659-T661 VanDerWaalsContact C-N 3.34Å; W659-T661 PolarHBondContact O-N 3.34Å; W659-V662 PolarHBondContact O-N 3.08Å; W659-M663 HydrophobicContact CD2-CE 4.49Å; W659-M663 HydrophobicContact CD2-CG 4.15Å; W659-M663 HydrophobicContact CE3-CE 4.32Å; W659-M663 HydrophobicContact CG-CG 4.46Å; W659-M663 HydrophobicContact CH2-CE 3.43Å; W659-M663 VanDerWaalsContact CH2-CE 3.43Å; W659-M663 HydrophobicContact CH2-SD 4.03Å; W659-M663 HydrophobicContact CZ2-CE 3.62Å; W659-M663 HydrophobicContact CZ2-CG 3.95Å; W659-M663 HydrophobicContact CZ2-SD 3.56Å; W659-M663 VanDerWaalsContact CZ2-SD 3.56Å; W659-M663 HydrophobicContact CZ3-CE 3.81Å; W659-M663 WeakPolarHBondContact O-CG 3.43Å; W659-M663 PolarHBondContact O-N 3.14Å
660S95.5Very high94Very high52 Ų5272.4 Ų72.436%0.36438%0.375SS..Hα-helixtrans-57.9-47.2175.6-177.50000111.3K656 N657 L658 M663 Q664K656-S660 VanDerWaalsContact O-CB 3.26Å; K656-S660 WeakPolarHBondContact O-CB 3.24Å; K656-S660 PolarHBondContact O-N 3.3Å; N657-S660 PolarHBondContact O-N 3.45Å; L658-S660 PolarHBondContact O-N 2.95Å; S660-M663 PolarHBondContact O-N 3.15Å; S660-Q664 VanDerWaalsContact O-CG 3.27Å; S660-Q664 WeakPolarHBondContact O-CG 3.38Å; S660-Q664 PolarHBondContact O-N 3.15Å; S660-Q664 PolarHBondContact OG-NE2 3.3Å
661T95.1Very high93.9Very high21 Ų2180.5 Ų80.513%0.12941%0.405CS..Hα-helixtrans-62.8-43177.7-59.10000112P57 M426 P646 N657 L658 W659 M663 Q664 G665P57-T661 HydrophobicContact CB-CG2 3.83Å; P57-T661 HydrophobicContact CG-CG2 3.95Å; M426-T661 HydrophobicContact CB-CG2 4.44Å; M426-T661 HydrophobicContact CE-CG2 4.14Å; M426-T661 HydrophobicContact SD-CG2 3.9Å; P646-T661 HydrophobicContact CG-CG2 4.26Å; N657-T661 PolarHBondContact O-N 2.99Å; N657-T661 PolarHBondContact O-OG1 3.16Å; N657-T661 VanDerWaalsContact O-OG1 3.08Å; L658-T661 PolarHBondContact O-N 3.24Å; W659-T661 VanDerWaalsContact C-N 3.34Å; W659-T661 PolarHBondContact O-N 3.34Å; T661-M663 PolarHBondContact O-N 3.02Å; T661-Q664 PolarHBondContact O-N 3.13Å; T661-G665 PolarHBondContact O-N 3.32Å; T661-G665 VanDerWaalsContact O-N 3.14Å
662V93.8Very high93.6Very high44 Ų4481.6 Ų81.627%0.26741%0.414SS..Hα-helixtrans-61-44177.4173.20000111.4M426 L658 W659 Q664 G665M426-V662 HydrophobicContact CE-CG2 3.84Å; M426-V662 HydrophobicContact SD-CG2 3.88Å; L658-V662 HydrophobicContact CD1-CG2 4.42Å; L658-V662 VanDerWaalsContact O-CG2 3.31Å; L658-V662 WeakPolarHBondContact O-CG2 3.35Å; L658-V662 PolarHBondContact O-N 3.05Å; W659-V662 PolarHBondContact O-N 3.08Å; V662-Q664 VanDerWaalsContact C-N 3.31Å; V662-Q664 PolarHBondContact O-N 3.03Å; V662-G665 PolarHBondContact O-N 3.05Å; V662-G665 VanDerWaalsContact O-N 3.13Å
663M94.1Very high93.5Very high75 Ų7587 Ų8737%0.36945%0.45SS..Hα-helixtrans-70.9-24.7-179.7-68.1-64.3100.100113.5W659 S660 T661 G665W659-M663 HydrophobicContact CD2-CE 4.49Å; W659-M663 HydrophobicContact CD2-CG 4.15Å; W659-M663 HydrophobicContact CE3-CE 4.32Å; W659-M663 HydrophobicContact CG-CG 4.46Å; W659-M663 HydrophobicContact CH2-CE 3.43Å; W659-M663 VanDerWaalsContact CH2-CE 3.43Å; W659-M663 HydrophobicContact CH2-SD 4.03Å; W659-M663 HydrophobicContact CZ2-CE 3.62Å; W659-M663 HydrophobicContact CZ2-CG 3.95Å; W659-M663 HydrophobicContact CZ2-SD 3.56Å; W659-M663 VanDerWaalsContact CZ2-SD 3.56Å; W659-M663 HydrophobicContact CZ3-CE 3.81Å; W659-M663 WeakPolarHBondContact O-CG 3.43Å; W659-M663 PolarHBondContact O-N 3.14Å; S660-M663 PolarHBondContact O-N 3.15Å; T661-M663 PolarHBondContact O-N 3.02Å; M663-G665 VanDerWaalsContact C-N 3.31Å
664Q90.5Very high93.2Very high123 Ų12391 Ų9158%0.57546%0.463SS*.Hα-helixtrans-82.4-10.6172.5-68.2173.626.900112.7S660 T661 V662 S666S660-Q664 VanDerWaalsContact O-CG 3.27Å; S660-Q664 WeakPolarHBondContact O-CG 3.38Å; S660-Q664 PolarHBondContact O-N 3.15Å; S660-Q664 PolarHBondContact OG-NE2 3.3Å; T661-Q664 PolarHBondContact O-N 3.13Å; V662-Q664 VanDerWaalsContact C-N 3.31Å; V662-Q664 PolarHBondContact O-N 3.03Å; Q664-S666 PolarHBondContact O-N 3.21Å
665G86.2Confident93.1Very high33 Ų3394.5 Ų94.534%0.3448%0.475SS..SBendtrans-60.8132.3178.800000112.5T661 V662 M663 Q667 A668T661-G665 PolarHBondContact O-N 3.32Å; T661-G665 VanDerWaalsContact O-N 3.14Å; V662-G665 PolarHBondContact O-N 3.05Å; V662-G665 VanDerWaalsContact O-N 3.13Å; M663-G665 VanDerWaalsContact C-N 3.31Å; G665-Q667 PolarHBondContact O-N 3.02Å; G665-A668 WeakPolarHBondContact O-CB 2.91Å; G665-A668 PolarHBondContact O-N 3.08Å
666S81.4Confident92.9Very high107 Ų10794.9 Ų94.975%0.74848%0.479SS*.THydrogen-bonded Turntrans-53.7130.8174.4141.90000110.4Q664 A668Q664-S666 PolarHBondContact O-N 3.21Å; S666-A668 PolarHBondContact O-N 2.96Å; S666-A668 VanDerWaalsContact O-N 3.12Å
667Q85.4Confident92.5Very high130 Ų13093.2 Ų93.261%0.60747%0.474SS*.THydrogen-bonded Turntrans63.79.6175.1-54.1176.7-9.800115.7G665 L669 E670G665-Q667 PolarHBondContact O-N 3.02Å; Q667-L669 PolarHBondContact O-N 2.74Å; Q667-L669 VanDerWaalsContact O-N 3.08Å; Q667-E670 HydrophobicContact CB-CB 4.1Å; Q667-E670 HydrophobicContact CB-CG 4.42Å; Q667-E670 PolarHBondContact O-N 3.29Å
668A89.5Confident92.2Very high56 Ų5698.7 Ų98.746%0.46350%0.496SS..THydrogen-bonded Turntrans-57.1-30.6-176.200000113.8G665 S666G665-A668 WeakPolarHBondContact O-CB 2.91Å; G665-A668 PolarHBondContact O-N 3.08Å; S666-A668 PolarHBondContact O-N 2.96Å; S666-A668 VanDerWaalsContact O-N 3.12Å
669L93.3Very high92.1Very high148 Ų148101.1 Ų101.178%0.77551%0.514SS*.THydrogen-bonded Turntrans-109.83.9178.2-58.1179.1000113.2Q667Q667-L669 PolarHBondContact O-N 2.74Å; Q667-L669 VanDerWaalsContact O-N 3.08Å
670E92.6Very high91.8Very high132 Ų13297.2 Ų97.262%0.61751%0.512SS*.SBendtrans-86.9155.1-177.5-66.7-179.1-154.300111.5Q667Q667-E670 HydrophobicContact CB-CB 4.1Å; Q667-E670 HydrophobicContact CB-CG 4.42Å; Q667-E670 PolarHBondContact O-N 3.29Å
671R94.3Very high91.4Very high176 Ų17699 Ų9966%0.66452%0.518SS*.PPolyproline II helixtrans-71.3144.1170.5-69.8-176.7-67.2176.4-3.1109.3S673R671-S673 PolarHBondContact O-N 3.02Å
672P93.1Very high91Very high58 Ų58103.8 Ų103.838%0.37754%0.537SS..PPolyproline II helixtrans-60.3141.4175.724.6-32.5000110.5W674 W675P672-W674 HydrophobicContact CB-CD2 3.9Å; P672-W674 VanDerWaalsContact CB-CE2 3.49Å; P672-W674 HydrophobicContact CB-CE3 4.47Å; P672-W674 HydrophobicContact CB-CG 4.31Å; P672-W674 HydrophobicContact CB-CH2 4.29Å; P672-W674 HydrophobicContact CB-CZ2 3.71Å; P672-W674 HydrophobicContact CG-CD2 4.31Å; P672-W674 HydrophobicContact CG-CE3 4.38Å; P672-W674 HydrophobicContact CG-CH2 4.06Å; P672-W674 HydrophobicContact CG-CZ2 3.99Å; P672-W674 HydrophobicContact CG-CZ3 4.26Å; P672-W674 PolarHBondContact O-N 3.44Å; P672-W674 VanDerWaalsContact O-N 3.07Å; P672-W675 HydrophobicContact CG-CB 4.14Å; P672-W675 VanDerWaalsContact O-CB 3.31Å; P672-W675 WeakPolarHBondContact O-CB 3.39Å; P672-W675 PolarHBondContact O-N 3.29Å
673S94.2Very high90.6Very high120 Ų120107.2 Ų107.284%0.83956%0.56SS**THydrogen-bonded Turntrans-56.5-28.2-179.257.70000113.4R671R671-S673 PolarHBondContact O-N 3.02Å
674W93.9Very high90.2Very high162 Ų162108.6 Ų108.661%0.61457%0.573SS**THydrogen-bonded Turntrans-88.79.3178.152.3-100000114.5P672 K676 E677 F678P672-W674 HydrophobicContact CB-CD2 3.9Å; P672-W674 VanDerWaalsContact CB-CE2 3.49Å; P672-W674 HydrophobicContact CB-CE3 4.47Å; P672-W674 HydrophobicContact CB-CG 4.31Å; P672-W674 HydrophobicContact CB-CH2 4.29Å; P672-W674 HydrophobicContact CB-CZ2 3.71Å; P672-W674 HydrophobicContact CG-CD2 4.31Å; P672-W674 HydrophobicContact CG-CE3 4.38Å; P672-W674 HydrophobicContact CG-CH2 4.06Å; P672-W674 HydrophobicContact CG-CZ2 3.99Å; P672-W674 HydrophobicContact CG-CZ3 4.26Å; P672-W674 PolarHBondContact O-N 3.44Å; P672-W674 VanDerWaalsContact O-N 3.07Å; W674-K676 PolarHBondContact O-N 3.19Å; W674-E677 WeakPolarHBondContact O-CB 3.19Å; W674-E677 PolarHBondContact O-N 3.34Å; W674-F678 HydrophobicContact CZ3-CB 4.45Å
675W94.5Very high89.9Confident79 Ų79109.7 Ų109.730%0.29959%0.588SS.*Hα-helixtrans-54.8-28.8-176.474.4-90.9000114P672 E677 F678 C679P672-W675 HydrophobicContact CG-CB 4.14Å; P672-W675 VanDerWaalsContact O-CB 3.31Å; P672-W675 WeakPolarHBondContact O-CB 3.39Å; P672-W675 PolarHBondContact O-N 3.29Å; W675-E677 VanDerWaalsContact C-N 3.29Å; W675-E677 PolarHBondContact O-N 3.15Å; W675-F678 PolarHBondContact O-N 3.47Å; W675-C679 HydrophobicContact CE3-CB 3.8Å; W675-C679 HydrophobicContact CZ3-CB 3.79Å; W675-C679 PolarHBondContact O-N 3.31Å
676K93.2Very high89.9Confident127 Ų127111.9 Ų111.955%0.55261%0.61SS**Hα-helixtrans-63.7-32.7176.1-70.4-174-179.1177.80112.6W674 F678 C679 S680 N681W674-K676 PolarHBondContact O-N 3.19Å; K676-F678 VanDerWaalsContact C-N 3.29Å; K676-F678 PolarHBondContact O-N 3.22Å; K676-C679 PolarHBondContact O-N 3.04Å; K676-S680 WeakPolarHBondContact O-CA 3.35Å; K676-S680 WeakPolarHBondContact O-CB 3.5Å; K676-S680 PolarHBondContact O-N 3.48Å; K676-N681 PolarHBondContact O-N 3.41Å
677E91.3Very high90Very high109 Ų109109.8 Ų109.851%0.50960%0.595SS.*Hα-helixtrans-60.9-44.3173.6-65.2-52.6132.200110.4W674 W675 N681W674-E677 WeakPolarHBondContact O-CB 3.19Å; W674-E677 PolarHBondContact O-N 3.34Å; W675-E677 VanDerWaalsContact C-N 3.29Å; W675-E677 PolarHBondContact O-N 3.15Å; E677-N681 CarbonylContact O-C 3.47Å; E677-N681 PolarHBondContact O-N 3.25Å; E677-N681 PolarHBondContact OE1-ND2 3.28Å; E677-N681 VanDerWaalsContact OE2-CB 3.28Å; E677-N681 WeakPolarHBondContact OE2-CB 3.25Å; E677-N681 PolarHBondContact OE2-ND2 3.02Å
678F91Very high89.7Confident138 Ų138112.2 Ų112.261%0.60561%0.611SS**Hα-helixtrans-68.3-44176.4-178.2-98.7000112.5W674 W675 K676 K682W674-F678 HydrophobicContact CZ3-CB 4.45Å; W675-F678 PolarHBondContact O-N 3.47Å; K676-F678 VanDerWaalsContact C-N 3.29Å; K676-F678 PolarHBondContact O-N 3.22Å; F678-K682 WeakPolarHBondContact O-CD 3.42Å; F678-K682 WeakPolarHBondContact O-CE 3.33Å; F678-K682 PolarHBondContact O-NZ 3.46Å
679C94.1Very high88.6Confident68 Ų68120 Ų12046%0.45963%0.629SS.*Hα-helixtrans-83-39.7-171.8-71.60000114.2W675 K676W675-C679 HydrophobicContact CE3-CB 3.8Å; W675-C679 HydrophobicContact CZ3-CB 3.79Å; W675-C679 PolarHBondContact O-N 3.31Å; K676-C679 PolarHBondContact O-N 3.04Å
680S90.9Very high87.3Confident83 Ų83117.2 Ų117.258%0.5862%0.622SS**THydrogen-bonded Turntrans-111.5-39.7-169.3-52.20000112.9K676 K682K676-S680 WeakPolarHBondContact O-CA 3.35Å; K676-S680 WeakPolarHBondContact O-CB 3.5Å; K676-S680 PolarHBondContact O-N 3.48Å; S680-K682 PolarHBondContact O-N 3.3Å
681N87.6Confident85.8Confident91 Ų91120.5 Ų120.549%0.48763%0.634SS.*SBendtrans-94.964.3-175.2-58-22.8000111.3K676 E677K676-N681 PolarHBondContact O-N 3.41Å; E677-N681 CarbonylContact O-C 3.47Å; E677-N681 PolarHBondContact O-N 3.25Å; E677-N681 PolarHBondContact OE1-ND2 3.28Å; E677-N681 VanDerWaalsContact OE2-CB 3.28Å; E677-N681 WeakPolarHBondContact OE2-CB 3.25Å; E677-N681 PolarHBondContact OE2-ND2 3.02Å
682K86.6Confident84.1Confident121 Ų121122.9 Ų122.953%0.52666%0.659SS.*  trans-67.2139.1-179.4-63.6-62.2-169.5179.60111.4F678 S680 T684F678-K682 WeakPolarHBondContact O-CD 3.42Å; F678-K682 WeakPolarHBondContact O-CE 3.33Å; F678-K682 PolarHBondContact O-NZ 3.46Å; S680-K682 PolarHBondContact O-N 3.3Å; K682-T684 PolarHBondContact O-N 3.08Å
683P84.4Confident83.7Confident116 Ų116126.1 Ų126.175%0.75367%0.673SS**  trans-62.3138171.927.1-33.6000109.8V685P683-V685 PolarHBondContact O-N 2.66Å
684T85.8Confident83.1Confident104 Ų104126.4 Ų126.464%0.63866%0.664SS**  trans-83.6108.1170-53.30000108.5K682 G686 S687K682-T684 PolarHBondContact O-N 3.08Å; T684-G686 PolarHBondContact O-N 2.81Å; T684-S687 VanDerWaalsContact O-CB 3.28Å; T684-S687 WeakPolarHBondContact O-CB 3.5Å; T684-S687 PolarHBondContact O-N 3.17Å
685V85.7Confident82.5Confident146 Ų146124.4 Ų124.489%0.88567%0.667SS**THydrogen-bonded Turntrans-57.3126.6179.4-179.10000109.7P683P683-V685 PolarHBondContact O-N 2.66Å
686G86.4Confident81.8Confident78 Ų78127.1 Ų127.180%0.80469%0.689SS**THydrogen-bonded Turntrans87.4-2.3-177.500000115.5T684 L688T684-G686 PolarHBondContact O-N 2.81Å; G686-L688 PolarHBondContact O-N 2.97Å
687S82.2Confident81.1Confident64 Ų64127.1 Ų127.145%0.44870%0.697SS.*  trans-75.3118.8173.4-1790000111.3T684 R689T684-S687 VanDerWaalsContact O-CB 3.28Å; T684-S687 WeakPolarHBondContact O-CB 3.5Å; T684-S687 PolarHBondContact O-N 3.17Å; S687-R689 VanDerWaalsContact C-N 3.31Å; S687-R689 PolarHBondContact OG-N 3.33Å; S687-R689 PolarHBondContact OG-O 3.18Å
688L79.1Confident80.4Confident180 Ų180128.3 Ų128.394%0.94271%0.71SS**  trans-86.1-2.2168.8-67.3172.4000112.9G686G686-L688 PolarHBondContact O-N 2.97Å
689R67.8Low79.7Confident219 Ų219127.6 Ų127.683%0.82672%0.717SS**SBendtrans-91.8119.4175.7-68.5-173.8-176.2-176.11.7109.4S687 K691S687-R689 VanDerWaalsContact C-N 3.31Å; S687-R689 PolarHBondContact OG-N 3.33Å; S687-R689 PolarHBondContact OG-O 3.18Å; R689-K691 PolarHBondContact O-N 2.84Å
690S64.7Low78.6Confident91 Ų91132.2 Ų132.264%0.63674%0.737SS**  trans-60.1125.6164.4173.90000109.3L692S690-L692 WeakPolarHBondContact OG-CB 3.43Å; S690-L692 PolarHBondContact OG-N 3.48Å; S690-L692 VanDerWaalsContact OG-N 3.13Å
691K61.4Low77.6Confident200 Ų200136.3 Ų136.387%0.8775%0.75SS**  trans-107.922.6160.1-73-169.4177.6-178.60110.7R689R689-K691 PolarHBondContact O-N 2.84Å
692L59Low76.6Confident226 Ų226140.5 Ų140.5100%1.18377%0.774SS**  trans-74.80175.3-69.7168.7000110.5S690S690-L692 WeakPolarHBondContact OG-CB 3.43Å; S690-L692 PolarHBondContact OG-N 3.48Å; S690-L692 VanDerWaalsContact OG-N 3.13Å

Retrieved 692 of 692 residues in 669.8 ms (Link to these results)

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